NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
577260 | 2mmp | 19860 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1HT MET 1 1.705 17.672 -6.857 2 H2 MET 1 2HT MET 1 3.318 17.263 -7.150 3 H3 MET 1 3HT MET 1 2.072 16.513 -8.012 4 HA MET 1 HA MET 1 2.688 19.386 -8.148 5 HB2 MET 1 2HB MET 1 3.284 17.145 -10.095 6 HB3 MET 1 1HB MET 1 3.318 18.840 -10.541 7 HG2 MET 1 2HG MET 1 5.550 18.040 -10.181 8 HG3 MET 1 1HG MET 1 5.143 19.189 -8.917 9 HE1 MET 1 2HE MET 1 7.581 16.625 -7.215 10 HE2 MET 1 3HE MET 1 7.317 18.306 -7.697 11 HE3 MET 1 1HE MET 1 7.603 17.074 -8.921 12 H LEU 2 H LEU 2 1.035 20.536 -8.791 13 HA LEU 2 HA LEU 2 -0.878 21.226 -9.644 14 HB2 LEU 2 2HB LEU 2 -0.511 18.908 -11.538 15 HB3 LEU 2 1HB LEU 2 -1.889 19.980 -11.640 16 HG LEU 2 HG LEU 2 -0.257 21.871 -11.993 17 HD11 LEU 2 1HD1 LEU 2 1.975 21.324 -12.814 18 HD12 LEU 2 2HD1 LEU 2 1.700 19.629 -12.414 19 HD13 LEU 2 3HD1 LEU 2 1.755 20.840 -11.130 20 HD21 LEU 2 3HD2 LEU 2 -0.326 19.651 -14.021 21 HD22 LEU 2 1HD2 LEU 2 0.091 21.332 -14.356 22 HD23 LEU 2 2HD2 LEU 2 -1.535 20.912 -13.803 23 H LYS 3 H LYS 3 -0.759 19.107 -7.543 24 HA LYS 3 HA LYS 3 -2.147 17.985 -6.157 25 HB2 LYS 3 2HB LYS 3 -3.407 20.099 -6.126 26 HB3 LYS 3 1HB LYS 3 -4.316 19.592 -7.539 27 HG2 LYS 3 2HG LYS 3 -5.100 17.619 -6.119 28 HG3 LYS 3 1HG LYS 3 -4.428 18.489 -4.743 29 HD2 LYS 3 2HD LYS 3 -6.701 19.068 -4.740 30 HD3 LYS 3 1HD LYS 3 -5.915 20.444 -5.502 31 HE2 LYS 3 2HE LYS 3 -7.254 18.185 -7.014 32 HE3 LYS 3 1HE LYS 3 -8.057 19.687 -6.594 33 HZ1 LYS 3 3HZ LYS 3 -7.315 19.761 -8.851 34 HZ2 LYS 3 1HZ LYS 3 -5.723 19.401 -8.450 35 HZ3 LYS 3 2HZ LYS 3 -6.426 20.860 -7.973 36 H HIS 4 H HIS 4 -1.628 15.986 -7.260 37 HA HIS 4 HA HIS 4 -4.108 14.892 -8.365 38 HB2 HIS 4 2HB HIS 4 -2.434 15.531 -10.223 39 HB3 HIS 4 1HB HIS 4 -1.506 14.140 -9.667 40 HD1 HIS 4 1HD HIS 4 -2.029 12.051 -10.995 41 HD2 HIS 4 2HD HIS 4 -5.262 14.658 -10.809 42 HE1 HIS 4 1HE HIS 4 -3.853 10.980 -12.341 43 HE2 HIS 4 2HE HIS 4 -5.735 12.708 -12.348 44 H GLY 5 H GLY 5 -0.856 14.144 -7.214 45 HA2 GLY 5 2HA GLY 5 -2.040 11.751 -6.018 46 HA3 GLY 5 1HA GLY 5 -0.381 11.819 -6.624 47 H LYS 6 H LYS 6 -1.861 11.480 -3.948 48 HA LYS 6 HA LYS 6 -0.100 13.295 -2.447 49 HB2 LYS 6 2HB LYS 6 -2.757 12.116 -1.609 50 HB3 LYS 6 1HB LYS 6 -1.647 12.897 -0.499 51 HG2 LYS 6 2HG LYS 6 -1.873 14.978 -1.864 52 HG3 LYS 6 1HG LYS 6 -3.126 14.157 -2.798 53 HD2 LYS 6 2HD LYS 6 -4.462 13.832 -0.804 54 HD3 LYS 6 1HD LYS 6 -3.193 14.529 0.197 55 HE2 LYS 6 2HE LYS 6 -3.467 16.662 -1.041 56 HE3 LYS 6 1HE LYS 6 -4.815 15.942 -1.917 57 HZ1 LYS 6 3HZ LYS 6 -5.988 15.657 0.173 58 HZ2 LYS 6 1HZ LYS 6 -5.579 17.274 -0.032 59 HZ3 LYS 6 2HZ LYS 6 -4.709 16.312 1.041 60 H TYR 7 H TYR 7 0.957 12.402 -0.653 61 HA TYR 7 HA TYR 7 1.239 9.514 -0.877 62 HB2 TYR 7 2HB TYR 7 3.131 11.634 0.106 63 HB3 TYR 7 1HB TYR 7 3.382 9.923 0.418 64 HD1 TYR 7 2HD TYR 7 3.976 8.408 -1.362 65 HD2 TYR 7 1HD TYR 7 3.442 12.555 -2.132 66 HE1 TYR 7 2HE TYR 7 5.127 8.141 -3.495 67 HE2 TYR 7 1HE TYR 7 4.595 12.297 -4.294 68 HH TYR 7 HH TYR 7 6.273 10.687 -5.281 69 H VAL 8 H VAL 8 0.325 8.379 0.573 70 HA VAL 8 HA VAL 8 0.254 9.365 3.326 71 HB VAL 8 HB VAL 8 -1.916 8.278 3.731 72 HG11 VAL 8 1HG1 VAL 8 -2.088 10.143 1.378 73 HG12 VAL 8 2HG1 VAL 8 -2.026 10.602 3.081 74 HG13 VAL 8 3HG1 VAL 8 -3.418 9.725 2.458 75 HG21 VAL 8 3HG2 VAL 8 -1.795 6.465 2.118 76 HG22 VAL 8 1HG2 VAL 8 -1.917 7.626 0.796 77 HG23 VAL 8 2HG2 VAL 8 -3.283 7.393 1.885 78 H TYR 9 H TYR 9 -0.473 7.105 4.650 79 HA TYR 9 HA TYR 9 1.469 5.168 3.620 80 HB2 TYR 9 2HB TYR 9 1.082 6.005 6.499 81 HB3 TYR 9 1HB TYR 9 2.085 4.658 5.978 82 HD1 TYR 9 1HD TYR 9 1.726 8.300 6.034 83 HD2 TYR 9 2HD TYR 9 4.262 5.060 4.979 84 HE1 TYR 9 1HE TYR 9 3.576 9.862 5.752 85 HE2 TYR 9 2HE TYR 9 6.139 6.630 4.687 86 HH TYR 9 HH TYR 9 5.940 9.863 5.758 87 H ILE 10 H ILE 10 0.968 3.068 3.840 88 HA ILE 10 HA ILE 10 -1.807 2.564 4.581 89 HB ILE 10 HB ILE 10 0.164 0.716 3.204 90 HG12 ILE 10 2HG1 ILE 10 -0.495 2.432 1.695 91 HG13 ILE 10 1HG1 ILE 10 -1.398 0.988 1.258 92 HG21 ILE 10 1HG2 ILE 10 -1.367 -0.615 4.523 93 HG22 ILE 10 2HG2 ILE 10 -1.712 -0.808 2.803 94 HG23 ILE 10 3HG2 ILE 10 -2.744 0.217 3.801 95 HD11 ILE 10 3HD1 ILE 10 -2.387 3.454 2.646 96 HD12 ILE 10 1HD1 ILE 10 -3.289 1.935 2.644 97 HD13 ILE 10 2HD1 ILE 10 -2.935 2.746 1.121 98 H ASP 11 H ASP 11 -2.402 1.596 6.280 99 HA ASP 11 HA ASP 11 -0.511 1.045 8.340 100 HB2 ASP 11 2HB ASP 11 -2.592 2.059 9.034 101 HB3 ASP 11 1HB ASP 11 -3.532 0.779 8.295 102 H LEU 12 H LEU 12 0.663 -0.471 7.411 103 HA LEU 12 HA LEU 12 -0.247 -3.125 6.839 104 HB2 LEU 12 2HB LEU 12 2.485 -2.185 7.714 105 HB3 LEU 12 1HB LEU 12 2.118 -3.684 6.899 106 HG LEU 12 HG LEU 12 1.851 -0.937 5.681 107 HD11 LEU 12 1HD1 LEU 12 3.852 -1.541 4.402 108 HD12 LEU 12 2HD1 LEU 12 3.960 -3.061 5.274 109 HD13 LEU 12 3HD1 LEU 12 4.192 -1.545 6.130 110 HD21 LEU 12 3HD2 LEU 12 1.622 -3.689 4.457 111 HD22 LEU 12 1HD2 LEU 12 1.596 -2.170 3.569 112 HD23 LEU 12 2HD2 LEU 12 0.298 -2.548 4.700 113 H ASN 13 H ASN 13 1.175 -1.363 9.441 114 HA ASN 13 HA ASN 13 1.175 -1.449 11.685 115 HB2 ASN 13 2HB ASN 13 -1.314 -1.995 11.144 116 HB3 ASN 13 1HB ASN 13 -0.909 -3.632 11.629 117 HD21 ASN 13 1HD2 ASN 13 -1.413 -0.404 12.598 118 HD22 ASN 13 2HD2 ASN 13 -1.411 -0.654 14.312 119 H ASN 14 H ASN 14 2.540 -3.476 9.903 120 HA ASN 14 HA ASN 14 3.088 -5.641 11.788 121 HB2 ASN 14 2HB ASN 14 4.208 -6.732 9.829 122 HB3 ASN 14 1HB ASN 14 2.495 -6.417 9.597 123 HD21 ASN 14 1HD2 ASN 14 2.621 -6.426 7.378 124 HD22 ASN 14 2HD2 ASN 14 3.415 -5.183 6.478 125 H GLY 15 H GLY 15 4.179 -2.834 11.924 126 HA2 GLY 15 2HA GLY 15 6.165 -2.317 13.123 127 HA3 GLY 15 1HA GLY 15 6.978 -3.637 12.294 128 H LYS 16 H LYS 16 5.511 -2.501 9.780 129 HA LYS 16 HA LYS 16 7.021 -0.079 9.460 130 HB2 LYS 16 2HB LYS 16 7.722 -0.746 7.125 131 HB3 LYS 16 1HB LYS 16 8.564 -1.562 8.415 132 HG2 LYS 16 2HG LYS 16 6.239 -2.872 7.049 133 HG3 LYS 16 1HG LYS 16 7.843 -2.891 6.314 134 HD2 LYS 16 2HD LYS 16 8.733 -3.927 8.372 135 HD3 LYS 16 1HD LYS 16 7.097 -3.976 9.041 136 HE2 LYS 16 2HE LYS 16 6.393 -5.439 7.213 137 HE3 LYS 16 1HE LYS 16 8.004 -5.351 6.507 138 HZ1 LYS 16 3HZ LYS 16 7.747 -7.401 7.762 139 HZ2 LYS 16 1HZ LYS 16 7.306 -6.563 9.140 140 HZ3 LYS 16 2HZ LYS 16 8.859 -6.434 8.551 141 H TYR 17 H TYR 17 6.362 1.090 7.493 142 HA TYR 17 HA TYR 17 3.573 0.569 6.803 143 HB2 TYR 17 2HB TYR 17 4.775 3.128 7.841 144 HB3 TYR 17 1HB TYR 17 3.383 3.173 6.771 145 HD1 TYR 17 2HD TYR 17 4.493 1.547 9.943 146 HD2 TYR 17 1HD TYR 17 1.269 3.153 7.709 147 HE1 TYR 17 2HE TYR 17 2.995 1.195 11.865 148 HE2 TYR 17 1HE TYR 17 -0.234 2.808 9.613 149 HH TYR 17 HH TYR 17 -0.389 1.390 11.576 150 H VAL 18 H VAL 18 3.032 1.149 4.728 151 HA VAL 18 HA VAL 18 5.351 1.651 3.049 152 HB VAL 18 HB VAL 18 4.223 -0.429 2.441 153 HG11 VAL 18 1HG1 VAL 18 1.762 1.228 2.103 154 HG12 VAL 18 2HG1 VAL 18 2.060 0.012 3.359 155 HG13 VAL 18 3HG1 VAL 18 1.914 -0.479 1.668 156 HG21 VAL 18 3HG2 VAL 18 5.122 0.845 0.579 157 HG22 VAL 18 1HG2 VAL 18 3.597 1.720 0.423 158 HG23 VAL 18 2HG2 VAL 18 3.654 -0.010 0.094 159 H LYS 19 H LYS 19 5.504 3.329 1.764 160 HA LYS 19 HA LYS 19 3.628 5.477 2.268 161 HB2 LYS 19 2HB LYS 19 6.128 5.801 2.379 162 HB3 LYS 19 1HB LYS 19 6.185 5.487 0.652 163 HG2 LYS 19 2HG LYS 19 4.661 7.425 0.318 164 HG3 LYS 19 1HG LYS 19 4.815 7.779 2.037 165 HD2 LYS 19 2HD LYS 19 7.262 7.963 1.745 166 HD3 LYS 19 1HD LYS 19 7.056 7.688 0.018 167 HE2 LYS 19 2HE LYS 19 7.239 10.040 0.303 168 HE3 LYS 19 1HE LYS 19 5.557 9.689 -0.020 169 HZ1 LYS 19 3HZ LYS 19 5.066 9.871 2.364 170 HZ2 LYS 19 1HZ LYS 19 5.781 11.266 1.778 171 HZ3 LYS 19 2HZ LYS 19 6.691 10.191 2.680 172 H VAL 20 H VAL 20 1.939 5.452 0.998 173 HA VAL 20 HA VAL 20 2.246 4.379 -1.693 174 HB VAL 20 HB VAL 20 0.713 3.140 -0.205 175 HG11 VAL 20 1HG1 VAL 20 -0.069 4.906 1.191 176 HG12 VAL 20 2HG1 VAL 20 -1.446 4.113 0.419 177 HG13 VAL 20 3HG1 VAL 20 -0.876 5.673 -0.172 178 HG21 VAL 20 3HG2 VAL 20 -0.635 4.499 -2.545 179 HG22 VAL 20 1HG2 VAL 20 -1.247 3.057 -1.728 180 HG23 VAL 20 2HG2 VAL 20 0.295 3.001 -2.576 181 H ARG 21 H ARG 21 1.614 5.519 -3.364 182 HA ARG 21 HA ARG 21 0.898 8.293 -2.924 183 HB2 ARG 21 2HB ARG 21 2.846 7.893 -4.328 184 HB3 ARG 21 1HB ARG 21 1.921 6.830 -5.370 185 HG2 ARG 21 2HG ARG 21 0.603 8.718 -6.142 186 HG3 ARG 21 1HG ARG 21 1.469 9.791 -5.035 187 HD2 ARG 21 2HD ARG 21 3.563 9.280 -6.160 188 HD3 ARG 21 1HD ARG 21 2.738 8.161 -7.236 189 HE ARG 21 HE ARG 21 1.442 10.279 -7.906 190 HH11 ARG 21 1HH1 ARG 21 4.862 10.322 -6.926 191 HH12 ARG 21 2HH1 ARG 21 5.294 11.501 -8.074 192 HH21 ARG 21 1HH2 ARG 21 2.094 11.909 -9.455 193 HH22 ARG 21 2HH2 ARG 21 3.715 12.423 -9.499 194 H ILE 22 H ILE 22 -1.142 8.682 -2.963 195 HA ILE 22 HA ILE 22 -3.026 6.883 -4.289 196 HB ILE 22 HB ILE 22 -3.574 9.296 -2.546 197 HG12 ILE 22 2HG1 ILE 22 -2.315 7.633 -1.262 198 HG13 ILE 22 1HG1 ILE 22 -3.970 7.744 -0.681 199 HG21 ILE 22 1HG2 ILE 22 -5.361 7.023 -3.398 200 HG22 ILE 22 2HG2 ILE 22 -5.444 8.695 -3.952 201 HG23 ILE 22 3HG2 ILE 22 -5.807 8.303 -2.271 202 HD11 ILE 22 3HD1 ILE 22 -4.499 5.679 -1.906 203 HD12 ILE 22 1HD1 ILE 22 -3.213 5.457 -0.723 204 HD13 ILE 22 2HD1 ILE 22 -2.819 5.587 -2.436 205 H LEU 23 H LEU 23 -3.450 7.426 -6.357 206 HA LEU 23 HA LEU 23 -3.089 10.184 -7.169 207 HB2 LEU 23 2HB LEU 23 -4.023 7.817 -8.764 208 HB3 LEU 23 1HB LEU 23 -3.486 9.352 -9.408 209 HG LEU 23 HG LEU 23 -1.739 7.325 -8.005 210 HD11 LEU 23 1HD1 LEU 23 -0.745 6.991 -10.214 211 HD12 LEU 23 2HD1 LEU 23 -1.939 8.088 -10.911 212 HD13 LEU 23 3HD1 LEU 23 -2.459 6.564 -10.192 213 HD21 LEU 23 3HD2 LEU 23 0.110 8.745 -8.749 214 HD22 LEU 23 1HD2 LEU 23 -0.964 9.611 -7.648 215 HD23 LEU 23 2HD2 LEU 23 -1.059 9.905 -9.384 216 H LYS 24 H LYS 24 -4.728 11.421 -6.678 217 HA LYS 24 HA LYS 24 -7.415 10.331 -6.651 218 HB2 LYS 24 2HB LYS 24 -6.305 13.026 -5.829 219 HB3 LYS 24 1HB LYS 24 -8.002 12.578 -5.699 220 HG2 LYS 24 2HG LYS 24 -7.437 10.840 -4.096 221 HG3 LYS 24 1HG LYS 24 -5.725 11.204 -4.278 222 HD2 LYS 24 2HD LYS 24 -6.101 13.453 -3.420 223 HD3 LYS 24 1HD LYS 24 -7.819 13.109 -3.240 224 HE2 LYS 24 2HE LYS 24 -5.600 11.616 -1.848 225 HE3 LYS 24 1HE LYS 24 -6.534 12.919 -1.123 226 HZ1 LYS 24 3HZ LYS 24 -7.364 10.796 -0.446 227 HZ2 LYS 24 1HZ LYS 24 -7.669 10.271 -2.006 228 HZ3 LYS 24 2HZ LYS 24 -8.526 11.557 -1.358 229 H SER 25 H SER 25 -8.303 10.290 -8.537 230 HA SER 25 HA SER 25 -7.364 12.220 -10.468 231 HB2 SER 25 2HB SER 25 -8.588 9.512 -10.944 232 HB3 SER 25 1HB SER 25 -7.845 10.566 -12.152 233 HG SER 25 HG SER 25 -6.483 9.665 -9.861 234 H ARG 26 H ARG 26 -8.699 13.778 -9.849 235 HA ARG 26 HA ARG 26 -11.571 13.605 -9.737 236 HB2 ARG 26 2HB ARG 26 -9.737 15.281 -8.718 237 HB3 ARG 26 1HB ARG 26 -10.078 16.151 -10.195 238 HG2 ARG 26 2HG ARG 26 -12.122 15.395 -8.134 239 HG3 ARG 26 1HG ARG 26 -11.308 16.951 -8.214 240 HD2 ARG 26 2HD ARG 26 -12.302 17.276 -10.474 241 HD3 ARG 26 1HD ARG 26 -13.197 15.771 -10.254 242 HE ARG 26 HE ARG 26 -13.614 17.463 -8.058 243 HH11 ARG 26 1HH1 ARG 26 -14.559 17.155 -11.467 244 HH12 ARG 26 2HH1 ARG 26 -16.011 18.009 -11.307 245 HH21 ARG 26 1HH2 ARG 26 -15.653 18.698 -7.849 246 HH22 ARG 26 2HH2 ARG 26 -16.634 18.915 -9.223 247 H ASP 27 H ASP 27 -9.110 14.162 -12.001 248 HA ASP 27 HA ASP 27 -10.575 15.289 -14.169 249 HB2 ASP 27 2HB ASP 27 -8.568 14.715 -15.475 250 HB3 ASP 27 1HB ASP 27 -8.130 15.525 -13.972 251 H ASP 28 H ASP 28 -9.716 12.126 -13.095 252 HA ASP 28 HA ASP 28 -10.725 10.571 -15.274 253 HB2 ASP 28 2HB ASP 28 -9.097 9.733 -13.629 254 HB3 ASP 28 1HB ASP 28 -10.285 9.922 -12.354 255 H ASN 29 H ASN 29 -11.836 11.237 -12.034 256 HA ASN 29 HA ASN 29 -14.448 11.970 -12.588 257 HB2 ASN 29 2HB ASN 29 -14.848 9.611 -13.221 258 HB3 ASN 29 1HB ASN 29 -14.161 9.064 -11.703 259 HD21 ASN 29 1HD2 ASN 29 -16.078 7.957 -11.263 260 HD22 ASN 29 2HD2 ASN 29 -17.495 8.787 -10.728 261 H SER 30 H SER 30 -13.512 9.714 -10.093 262 HA SER 30 HA SER 30 -12.491 11.635 -8.262 263 HB2 SER 30 2HB SER 30 -15.223 10.408 -7.687 264 HB3 SER 30 1HB SER 30 -14.249 11.269 -6.496 265 HG SER 30 HG SER 30 -14.650 12.631 -8.823 266 H VAL 31 H VAL 31 -11.967 9.146 -9.605 267 HA VAL 31 HA VAL 31 -12.132 7.105 -7.543 268 HB VAL 31 HB VAL 31 -11.083 6.862 -10.382 269 HG11 VAL 31 1HG1 VAL 31 -11.319 4.436 -10.041 270 HG12 VAL 31 2HG1 VAL 31 -11.802 4.727 -8.370 271 HG13 VAL 31 3HG1 VAL 31 -10.176 5.152 -8.902 272 HG21 VAL 31 3HG2 VAL 31 -13.223 5.769 -10.893 273 HG22 VAL 31 1HG2 VAL 31 -13.450 7.436 -10.363 274 HG23 VAL 31 2HG2 VAL 31 -13.780 6.107 -9.255 275 H GLU 32 H GLU 32 -10.427 6.349 -6.462 276 HA GLU 32 HA GLU 32 -7.983 7.885 -6.751 277 HB2 GLU 32 2HB GLU 32 -9.038 6.211 -4.474 278 HB3 GLU 32 1HB GLU 32 -7.498 7.065 -4.460 279 HG2 GLU 32 2HG GLU 32 -8.630 9.192 -4.694 280 HG3 GLU 32 1HG GLU 32 -10.181 8.373 -4.816 281 H LYS 33 H LYS 33 -6.586 7.011 -7.969 282 HA LYS 33 HA LYS 33 -6.469 4.141 -8.401 283 HB2 LYS 33 2HB LYS 33 -4.645 6.231 -9.620 284 HB3 LYS 33 1HB LYS 33 -5.000 4.625 -10.209 285 HG2 LYS 33 2HG LYS 33 -6.938 6.933 -10.168 286 HG3 LYS 33 1HG LYS 33 -6.048 6.348 -11.571 287 HD2 LYS 33 2HD LYS 33 -7.208 4.209 -11.419 288 HD3 LYS 33 1HD LYS 33 -8.057 4.754 -9.975 289 HE2 LYS 33 2HE LYS 33 -9.518 4.974 -11.891 290 HE3 LYS 33 1HE LYS 33 -9.080 6.571 -11.301 291 HZ1 LYS 33 3HZ LYS 33 -7.927 5.200 -13.666 292 HZ2 LYS 33 1HZ LYS 33 -7.409 6.693 -13.087 293 HZ3 LYS 33 2HZ LYS 33 -8.969 6.526 -13.687 294 H TYR 34 H TYR 34 -5.083 2.938 -7.267 295 HA TYR 34 HA TYR 34 -3.215 4.329 -5.551 296 HB2 TYR 34 2HB TYR 34 -3.885 1.383 -5.640 297 HB3 TYR 34 1HB TYR 34 -2.928 2.201 -4.404 298 HD1 TYR 34 1HD TYR 34 -4.471 4.606 -3.853 299 HD2 TYR 34 2HD TYR 34 -5.827 0.655 -4.584 300 HE1 TYR 34 1HE TYR 34 -6.512 5.083 -2.570 301 HE2 TYR 34 2HE TYR 34 -7.881 1.129 -3.307 302 HH TYR 34 HH TYR 34 -8.487 2.741 -1.415 303 H VAL 35 H VAL 35 -1.072 4.145 -5.604 304 HA VAL 35 HA VAL 35 0.135 3.620 -8.095 305 HB VAL 35 HB VAL 35 0.902 5.259 -6.316 306 HG11 VAL 35 1HG1 VAL 35 0.873 3.886 -4.389 307 HG12 VAL 35 2HG1 VAL 35 2.518 4.474 -4.642 308 HG13 VAL 35 3HG1 VAL 35 2.094 2.813 -5.070 309 HG21 VAL 35 3HG2 VAL 35 3.001 3.446 -7.517 310 HG22 VAL 35 1HG2 VAL 35 3.307 5.054 -6.857 311 HG23 VAL 35 2HG2 VAL 35 2.273 4.866 -8.272 312 H LEU 36 H LEU 36 1.897 2.090 -8.441 313 HA LEU 36 HA LEU 36 1.061 -0.517 -7.547 314 HB2 LEU 36 2HB LEU 36 1.408 0.183 -9.949 315 HB3 LEU 36 1HB LEU 36 3.128 0.162 -9.615 316 HG LEU 36 HG LEU 36 2.943 -2.252 -9.057 317 HD11 LEU 36 1HD1 LEU 36 0.633 -2.391 -8.394 318 HD12 LEU 36 2HD1 LEU 36 0.865 -3.423 -9.811 319 HD13 LEU 36 3HD1 LEU 36 0.108 -1.850 -9.982 320 HD21 LEU 36 3HD2 LEU 36 3.605 -1.500 -11.291 321 HD22 LEU 36 1HD2 LEU 36 1.914 -1.488 -11.785 322 HD23 LEU 36 2HD2 LEU 36 2.700 -3.014 -11.357 323 H THR 37 H THR 37 3.255 1.669 -6.374 324 HA THR 37 HA THR 37 5.403 -0.264 -6.055 325 HB THR 37 HB THR 37 6.021 2.088 -6.722 326 HG1 THR 37 1HG THR 37 7.703 1.080 -5.822 327 HG21 THR 37 3HG2 THR 37 6.078 3.823 -4.986 328 HG22 THR 37 1HG2 THR 37 5.235 2.743 -3.882 329 HG23 THR 37 2HG2 THR 37 4.414 3.337 -5.336 330 H SER 38 H SER 38 6.313 -0.782 -4.054 331 HA SER 38 HA SER 38 4.434 -0.713 -1.839 332 HB2 SER 38 2HB SER 38 5.608 -2.974 -1.388 333 HB3 SER 38 1HB SER 38 4.389 -2.882 -2.669 334 HG SER 38 HG SER 38 6.326 -3.959 -3.241 335 H HIS 39 H HIS 39 6.694 1.080 -2.461 336 HA HIS 39 HA HIS 39 9.018 0.665 -0.943 337 HB2 HIS 39 2HB HIS 39 7.630 3.278 -1.576 338 HB3 HIS 39 1HB HIS 39 9.181 3.189 -0.765 339 HD1 HIS 39 1HD HIS 39 9.009 4.696 -3.371 340 HD2 HIS 39 2HD HIS 39 9.892 0.649 -3.165 341 HE1 HIS 39 1HE HIS 39 10.270 4.179 -5.472 342 HE2 HIS 39 2HE HIS 39 11.103 1.839 -5.115 343 H VAL 40 H VAL 40 9.090 0.102 1.131 344 HA VAL 40 HA VAL 40 7.167 1.277 2.944 345 HB VAL 40 HB VAL 40 8.049 -0.355 4.666 346 HG11 VAL 40 1HG1 VAL 40 5.985 -0.742 3.500 347 HG12 VAL 40 2HG1 VAL 40 6.846 -2.266 3.704 348 HG13 VAL 40 3HG1 VAL 40 6.842 -1.458 2.138 349 HG21 VAL 40 3HG2 VAL 40 9.361 -1.635 2.262 350 HG22 VAL 40 1HG2 VAL 40 9.282 -2.299 3.890 351 HG23 VAL 40 2HG2 VAL 40 10.221 -0.832 3.576 352 H SER 41 H SER 41 7.646 2.185 4.840 353 HA SER 41 HA SER 41 10.337 3.300 5.060 354 HB2 SER 41 2HB SER 41 7.677 4.494 5.922 355 HB3 SER 41 1HB SER 41 9.256 5.252 6.117 356 HG SER 41 HG SER 41 8.559 4.395 3.580 357 H LYS 42 H LYS 42 11.103 3.437 7.239 358 HA LYS 42 HA LYS 42 10.360 1.168 8.897 359 HB2 LYS 42 2HB LYS 42 12.201 3.359 9.798 360 HB3 LYS 42 1HB LYS 42 12.315 1.633 10.077 361 HG2 LYS 42 2HG LYS 42 12.953 1.321 7.707 362 HG3 LYS 42 1HG LYS 42 12.873 3.080 7.529 363 HD2 LYS 42 2HD LYS 42 14.609 3.330 9.249 364 HD3 LYS 42 1HD LYS 42 14.738 1.572 9.357 365 HE2 LYS 42 2HE LYS 42 15.339 1.520 6.939 366 HE3 LYS 42 1HE LYS 42 15.291 3.279 6.941 367 HZ1 LYS 42 3HZ LYS 42 17.539 2.415 7.184 368 HZ2 LYS 42 1HZ LYS 42 17.104 1.633 8.602 369 HZ3 LYS 42 2HZ LYS 42 17.092 3.315 8.528 370 H ASN 43 H ASN 43 9.489 4.272 8.490 371 HA ASN 43 HA ASN 43 9.125 5.235 11.148 372 HB2 ASN 43 2HB ASN 43 8.065 6.425 8.603 373 HB3 ASN 43 1HB ASN 43 8.499 7.242 10.099 374 HD21 ASN 43 1HD2 ASN 43 10.715 7.516 10.575 375 HD22 ASN 43 2HD2 ASN 43 11.903 7.429 9.326 376 H ARG 44 H ARG 44 7.388 4.816 12.305 377 HA ARG 44 HA ARG 44 4.903 4.116 10.945 378 HB2 ARG 44 2HB ARG 44 5.629 3.892 13.888 379 HB3 ARG 44 1HB ARG 44 4.123 3.336 13.162 380 HG2 ARG 44 2HG ARG 44 5.460 1.759 11.758 381 HG3 ARG 44 1HG ARG 44 6.890 2.260 12.650 382 HD2 ARG 44 2HD ARG 44 4.431 0.989 13.827 383 HD3 ARG 44 1HD ARG 44 5.958 0.169 13.504 384 HE ARG 44 HE ARG 44 6.028 2.483 15.255 385 HH11 ARG 44 1HH1 ARG 44 6.036 -1.045 15.005 386 HH12 ARG 44 2HH1 ARG 44 6.620 -1.295 16.578 387 HH21 ARG 44 1HH2 ARG 44 6.792 2.146 17.403 388 HH22 ARG 44 2HH2 ARG 44 7.066 0.564 17.989 389 HA PRO 45 HA PRO 45 4.325 8.463 11.736 390 HB2 PRO 45 2HB PRO 45 2.449 8.927 9.905 391 HB3 PRO 45 1HB PRO 45 4.139 8.643 9.471 392 HG2 PRO 45 2HG PRO 45 1.815 6.776 9.331 393 HG3 PRO 45 1HG PRO 45 3.162 6.986 8.198 394 HD2 PRO 45 2HD PRO 45 3.002 4.987 10.102 395 HD3 PRO 45 1HD PRO 45 4.508 5.560 9.363 396 H LYS 46 H LYS 46 3.048 9.658 12.906 397 HA LYS 46 HA LYS 46 0.511 8.586 13.850 398 HB2 LYS 46 2HB LYS 46 2.141 9.018 15.595 399 HB3 LYS 46 1HB LYS 46 2.410 10.636 14.997 400 HG2 LYS 46 2HG LYS 46 1.142 10.896 16.968 401 HG3 LYS 46 1HG LYS 46 0.003 11.133 15.656 402 HD2 LYS 46 2HD LYS 46 0.315 8.475 17.036 403 HD3 LYS 46 1HD LYS 46 -0.737 9.723 17.679 404 HE2 LYS 46 2HE LYS 46 -0.981 8.352 14.984 405 HE3 LYS 46 1HE LYS 46 -1.994 8.108 16.390 406 HZ1 LYS 46 3HZ LYS 46 -3.093 9.564 14.844 407 HZ2 LYS 46 1HZ LYS 46 -1.803 10.636 14.830 408 HZ3 LYS 46 2HZ LYS 46 -2.701 10.443 16.223 409 H ASN 47 H ASN 47 2.120 11.489 12.590 410 HA ASN 47 HA ASN 47 -0.257 13.084 12.518 411 HB2 ASN 47 2HB ASN 47 1.806 14.248 12.815 412 HB3 ASN 47 1HB ASN 47 2.508 13.497 11.391 413 HD21 ASN 47 1HD2 ASN 47 0.293 15.960 12.525 414 HD22 ASN 47 2HD2 ASN 47 0.193 16.808 11.036 415 H ALA 48 H ALA 48 1.438 11.107 10.186 416 HA ALA 48 HA ALA 48 0.021 12.202 7.958 417 HB1 ALA 48 1HB ALA 48 2.299 11.326 7.722 418 HB2 ALA 48 2HB ALA 48 1.162 10.505 6.654 419 HB3 ALA 48 3HB ALA 48 1.714 9.708 8.124 420 H ILE 49 H ILE 49 -1.310 10.886 6.579 421 HA ILE 49 HA ILE 49 -3.349 9.622 8.195 422 HB ILE 49 HB ILE 49 -3.293 10.243 5.226 423 HG12 ILE 49 2HG1 ILE 49 -3.208 12.298 6.536 424 HG13 ILE 49 1HG1 ILE 49 -4.784 12.135 5.778 425 HG21 ILE 49 1HG2 ILE 49 -5.734 9.928 5.287 426 HG22 ILE 49 2HG2 ILE 49 -5.607 9.408 6.967 427 HG23 ILE 49 3HG2 ILE 49 -4.857 8.449 5.692 428 HD11 ILE 49 3HD1 ILE 49 -4.998 12.975 8.041 429 HD12 ILE 49 1HD1 ILE 49 -4.129 11.573 8.670 430 HD13 ILE 49 2HD1 ILE 49 -5.711 11.368 7.920 431 H VAL 50 H VAL 50 -3.589 7.519 8.394 432 HA VAL 50 HA VAL 50 -2.133 5.838 6.523 433 HB VAL 50 HB VAL 50 -2.060 4.080 8.251 434 HG11 VAL 50 1HG1 VAL 50 -0.432 5.143 9.766 435 HG12 VAL 50 2HG1 VAL 50 -0.922 6.722 9.142 436 HG13 VAL 50 3HG1 VAL 50 -0.172 5.545 8.069 437 HG21 VAL 50 3HG2 VAL 50 -2.647 4.579 10.595 438 HG22 VAL 50 1HG2 VAL 50 -4.058 4.672 9.542 439 HG23 VAL 50 2HG2 VAL 50 -3.268 6.147 10.096 440 H ILE 51 H ILE 51 -3.140 4.346 5.438 441 HA ILE 51 HA ILE 51 -6.033 4.024 5.898 442 HB ILE 51 HB ILE 51 -4.491 3.657 3.293 443 HG12 ILE 51 2HG1 ILE 51 -6.385 5.879 4.102 444 HG13 ILE 51 1HG1 ILE 51 -4.640 6.031 3.982 445 HG21 ILE 51 1HG2 ILE 51 -7.463 3.602 3.841 446 HG22 ILE 51 2HG2 ILE 51 -6.455 2.208 3.459 447 HG23 ILE 51 3HG2 ILE 51 -6.710 3.473 2.249 448 HD11 ILE 51 3HD1 ILE 51 -4.771 5.604 1.580 449 HD12 ILE 51 1HD1 ILE 51 -5.760 6.989 2.046 450 HD13 ILE 51 2HD1 ILE 51 -6.519 5.435 1.703 451 H LYS 52 H LYS 52 -6.693 1.965 6.302 452 HA LYS 52 HA LYS 52 -4.631 0.047 6.867 453 HB2 LYS 52 2HB LYS 52 -6.604 0.412 8.324 454 HB3 LYS 52 1HB LYS 52 -7.628 -0.246 7.060 455 HG2 LYS 52 2HG LYS 52 -6.482 -2.393 7.236 456 HG3 LYS 52 1HG LYS 52 -5.435 -1.739 8.490 457 HD2 LYS 52 2HD LYS 52 -8.438 -1.972 8.676 458 HD3 LYS 52 1HD LYS 52 -7.277 -3.083 9.399 459 HE2 LYS 52 2HE LYS 52 -7.504 -0.142 10.050 460 HE3 LYS 52 1HE LYS 52 -8.180 -1.445 11.008 461 HZ1 LYS 52 3HZ LYS 52 -5.924 -2.307 11.352 462 HZ2 LYS 52 1HZ LYS 52 -6.121 -0.761 11.948 463 HZ3 LYS 52 2HZ LYS 52 -5.246 -0.979 10.545 464 H MET 53 H MET 53 -4.390 -2.007 6.043 465 HA MET 53 HA MET 53 -4.226 -2.320 3.311 466 HB2 MET 53 2HB MET 53 -4.421 -4.489 5.405 467 HB3 MET 53 1HB MET 53 -3.877 -4.735 3.748 468 HG2 MET 53 2HG MET 53 -1.988 -3.250 4.132 469 HG3 MET 53 1HG MET 53 -2.547 -2.942 5.768 470 HE1 MET 53 3HE MET 53 -2.528 -6.411 3.834 471 HE2 MET 53 1HE MET 53 -0.953 -7.036 4.330 472 HE3 MET 53 2HE MET 53 -1.046 -5.606 3.298 473 H ASP 54 H ASP 54 -6.852 -3.150 5.387 474 HA ASP 54 HA ASP 54 -8.487 -4.756 3.881 475 HB2 ASP 54 2HB ASP 54 -9.002 -4.301 6.151 476 HB3 ASP 54 1HB ASP 54 -9.107 -2.574 5.857 477 H ASN 55 H ASN 55 -7.939 -1.317 3.438 478 HA ASN 55 HA ASN 55 -10.243 -0.994 1.696 479 HB2 ASN 55 2HB ASN 55 -9.584 0.912 3.073 480 HB3 ASN 55 1HB ASN 55 -7.973 0.900 2.371 481 HD21 ASN 55 1HD2 ASN 55 -11.323 1.794 1.877 482 HD22 ASN 55 2HD2 ASN 55 -11.045 2.731 0.459 483 H LEU 56 H LEU 56 -7.014 -1.999 1.354 484 HA LEU 56 HA LEU 56 -6.691 -0.933 -1.267 485 HB2 LEU 56 2HB LEU 56 -4.905 -2.634 0.445 486 HB3 LEU 56 1HB LEU 56 -4.517 -2.295 -1.226 487 HG LEU 56 HG LEU 56 -3.266 -0.823 0.231 488 HD11 LEU 56 1HD1 LEU 56 -5.422 0.723 -1.180 489 HD12 LEU 56 2HD1 LEU 56 -3.970 0.061 -1.920 490 HD13 LEU 56 3HD1 LEU 56 -3.839 1.327 -0.700 491 HD21 LEU 56 3HD2 LEU 56 -4.454 0.909 1.572 492 HD22 LEU 56 1HD2 LEU 56 -4.652 -0.737 2.191 493 HD23 LEU 56 2HD2 LEU 56 -5.947 0.023 1.278 494 HA PRO 57 HA PRO 57 -8.386 -4.262 -3.587 495 HB2 PRO 57 2HB PRO 57 -6.307 -3.578 -5.591 496 HB3 PRO 57 1HB PRO 57 -8.063 -3.629 -5.767 497 HG2 PRO 57 2HG PRO 57 -6.786 -1.314 -5.661 498 HG3 PRO 57 1HG PRO 57 -8.351 -1.530 -4.851 499 HD2 PRO 57 2HD PRO 57 -5.604 -1.524 -3.679 500 HD3 PRO 57 1HD PRO 57 -7.112 -0.786 -3.089 501 H ILE 58 H ILE 58 -7.737 -6.257 -4.659 502 HA ILE 58 HA ILE 58 -5.981 -7.638 -2.992 503 HB ILE 58 HB ILE 58 -6.347 -9.646 -4.454 504 HG12 ILE 58 2HG1 ILE 58 -8.393 -9.414 -6.040 505 HG13 ILE 58 1HG1 ILE 58 -8.017 -7.699 -6.061 506 HG21 ILE 58 1HG2 ILE 58 -7.695 -9.269 -2.529 507 HG22 ILE 58 2HG2 ILE 58 -8.694 -9.931 -3.824 508 HG23 ILE 58 3HG2 ILE 58 -8.772 -8.210 -3.436 509 HD11 ILE 58 3HD1 ILE 58 -6.215 -9.932 -6.992 510 HD12 ILE 58 1HD1 ILE 58 -5.817 -8.215 -7.012 511 HD13 ILE 58 2HD1 ILE 58 -7.127 -8.823 -8.020 512 H GLU 59 H GLU 59 -5.445 -6.331 -6.173 513 HA GLU 59 HA GLU 59 -2.999 -7.699 -6.477 514 HB2 GLU 59 2HB GLU 59 -2.556 -6.114 -8.364 515 HB3 GLU 59 1HB GLU 59 -4.046 -7.032 -8.484 516 HG2 GLU 59 2HG GLU 59 -4.103 -4.272 -7.361 517 HG3 GLU 59 1HG GLU 59 -3.999 -4.510 -9.102 518 H VAL 60 H VAL 60 -3.892 -4.556 -5.194 519 HA VAL 60 HA VAL 60 -1.227 -3.603 -5.037 520 HB VAL 60 HB VAL 60 -3.604 -2.788 -3.323 521 HG11 VAL 60 1HG1 VAL 60 -2.342 -0.690 -2.966 522 HG12 VAL 60 2HG1 VAL 60 -0.978 -1.383 -3.845 523 HG13 VAL 60 3HG1 VAL 60 -1.499 -2.101 -2.321 524 HG21 VAL 60 3HG2 VAL 60 -3.831 -0.909 -4.901 525 HG22 VAL 60 1HG2 VAL 60 -4.061 -2.467 -5.693 526 HG23 VAL 60 2HG2 VAL 60 -2.542 -1.594 -5.884 527 H LYS 61 H LYS 61 -3.323 -5.345 -2.833 528 HA LYS 61 HA LYS 61 -1.491 -5.448 -0.685 529 HB2 LYS 61 2HB LYS 61 -3.751 -7.319 -1.369 530 HB3 LYS 61 1HB LYS 61 -2.863 -7.357 0.146 531 HG2 LYS 61 2HG LYS 61 -3.503 -4.992 0.471 532 HG3 LYS 61 1HG LYS 61 -4.583 -5.141 -0.909 533 HD2 LYS 61 2HD LYS 61 -4.739 -6.876 1.566 534 HD3 LYS 61 1HD LYS 61 -5.759 -5.472 1.266 535 HE2 LYS 61 2HE LYS 61 -6.678 -6.548 -0.719 536 HE3 LYS 61 1HE LYS 61 -5.622 -7.938 -0.476 537 HZ1 LYS 61 3HZ LYS 61 -6.714 -8.396 1.585 538 HZ2 LYS 61 1HZ LYS 61 -7.885 -8.317 0.385 539 HZ3 LYS 61 2HZ LYS 61 -7.671 -7.038 1.475 540 H ASP 62 H ASP 62 -2.000 -7.431 -3.448 541 HA ASP 62 HA ASP 62 -0.258 -9.545 -2.783 542 HB2 ASP 62 2HB ASP 62 -1.808 -9.873 -4.603 543 HB3 ASP 62 1HB ASP 62 -1.131 -8.507 -5.479 544 H LYS 63 H LYS 63 0.317 -6.511 -4.499 545 HA LYS 63 HA LYS 63 3.040 -6.981 -5.081 546 HB2 LYS 63 2HB LYS 63 1.633 -4.339 -4.632 547 HB3 LYS 63 1HB LYS 63 3.192 -4.549 -5.421 548 HG2 LYS 63 2HG LYS 63 0.596 -5.696 -6.398 549 HG3 LYS 63 1HG LYS 63 1.308 -4.209 -6.999 550 HD2 LYS 63 2HD LYS 63 3.276 -5.484 -7.769 551 HD3 LYS 63 1HD LYS 63 2.568 -6.962 -7.115 552 HE2 LYS 63 2HE LYS 63 0.687 -6.759 -8.647 553 HE3 LYS 63 1HE LYS 63 1.355 -5.258 -9.283 554 HZ1 LYS 63 3HZ LYS 63 1.885 -7.106 -10.734 555 HZ2 LYS 63 1HZ LYS 63 2.604 -7.930 -9.452 556 HZ3 LYS 63 2HZ LYS 63 3.302 -6.530 -10.001 557 H LEU 64 H LEU 64 1.428 -5.429 -2.372 558 HA LEU 64 HA LEU 64 3.681 -4.711 -0.862 559 HB2 LEU 64 2HB LEU 64 0.987 -5.655 0.139 560 HB3 LEU 64 1HB LEU 64 2.171 -4.795 1.095 561 HG LEU 64 HG LEU 64 0.618 -3.694 -1.253 562 HD11 LEU 64 1HD1 LEU 64 -0.457 -2.277 0.416 563 HD12 LEU 64 2HD1 LEU 64 0.442 -3.092 1.693 564 HD13 LEU 64 3HD1 LEU 64 -0.742 -3.985 0.742 565 HD21 LEU 64 3HD2 LEU 64 1.601 -1.532 -0.652 566 HD22 LEU 64 1HD2 LEU 64 2.834 -2.688 -1.153 567 HD23 LEU 64 2HD2 LEU 64 2.606 -2.327 0.559 568 H THR 65 H THR 65 1.760 -7.663 -0.941 569 HA THR 65 HA THR 65 3.133 -9.000 1.036 570 HB THR 65 HB THR 65 1.507 -10.141 -1.248 571 HG1 THR 65 1HG THR 65 0.246 -8.848 0.013 572 HG21 THR 65 3HG2 THR 65 1.256 -12.139 0.174 573 HG22 THR 65 1HG2 THR 65 2.330 -11.419 1.378 574 HG23 THR 65 2HG2 THR 65 2.957 -11.860 -0.208 575 H ARG 66 H ARG 66 3.550 -9.181 -2.513 576 HA ARG 66 HA ARG 66 5.581 -11.158 -2.320 577 HB2 ARG 66 2HB ARG 66 4.962 -9.343 -4.641 578 HB3 ARG 66 1HB ARG 66 5.996 -10.758 -4.702 579 HG2 ARG 66 2HG ARG 66 4.021 -12.128 -4.041 580 HG3 ARG 66 1HG ARG 66 3.028 -10.679 -4.227 581 HD2 ARG 66 2HD ARG 66 3.922 -10.491 -6.564 582 HD3 ARG 66 1HD ARG 66 4.670 -12.070 -6.324 583 HE ARG 66 HE ARG 66 1.802 -11.818 -5.895 584 HH11 ARG 66 1HH1 ARG 66 4.435 -12.934 -7.993 585 HH12 ARG 66 2HH1 ARG 66 3.462 -13.931 -8.954 586 HH21 ARG 66 1HH2 ARG 66 0.439 -13.153 -7.220 587 HH22 ARG 66 2HH2 ARG 66 1.078 -14.052 -8.501 588 H PHE 67 H PHE 67 5.750 -7.767 -1.898 589 HA PHE 67 HA PHE 67 8.548 -7.699 -2.684 590 HB2 PHE 67 2HB PHE 67 7.061 -5.801 -3.260 591 HB3 PHE 67 1HB PHE 67 6.884 -5.454 -1.547 592 HD1 PHE 67 1HD PHE 67 9.424 -5.722 -4.244 593 HD2 PHE 67 2HD PHE 67 8.439 -3.964 -0.474 594 HE1 PHE 67 1HE PHE 67 11.406 -4.276 -4.380 595 HE2 PHE 67 2HE PHE 67 10.401 -2.552 -0.615 596 HZ PHE 67 HZ PHE 67 11.900 -2.691 -2.564 597 H PHE 68 H PHE 68 6.791 -6.908 0.343 598 HA PHE 68 HA PHE 68 9.396 -7.269 1.691 599 HB2 PHE 68 2HB PHE 68 8.692 -5.551 3.321 600 HB3 PHE 68 1HB PHE 68 8.789 -4.920 1.689 601 HD1 PHE 68 2HD PHE 68 6.519 -5.895 4.400 602 HD2 PHE 68 1HD PHE 68 6.822 -4.125 0.542 603 HE1 PHE 68 2HE PHE 68 4.219 -5.072 4.596 604 HE2 PHE 68 1HE PHE 68 4.538 -3.296 0.740 605 HZ PHE 68 HZ PHE 68 3.225 -3.768 2.760 606 H LEU 69 H LEU 69 6.188 -8.390 1.634 607 HA LEU 69 HA LEU 69 6.207 -8.925 4.504 608 HB2 LEU 69 2HB LEU 69 4.223 -7.882 3.303 609 HB3 LEU 69 1HB LEU 69 4.034 -9.459 2.555 610 HG LEU 69 HG LEU 69 3.565 -10.485 4.665 611 HD11 LEU 69 1HD1 LEU 69 3.870 -7.709 5.828 612 HD12 LEU 69 2HD1 LEU 69 4.930 -9.089 6.136 613 HD13 LEU 69 3HD1 LEU 69 3.260 -9.119 6.687 614 HD21 LEU 69 3HD2 LEU 69 1.714 -9.579 3.389 615 HD22 LEU 69 1HD2 LEU 69 1.925 -8.007 4.163 616 HD23 LEU 69 2HD2 LEU 69 1.408 -9.394 5.118 617 H LEU 70 H LEU 70 5.396 -10.709 1.545 618 HA LEU 70 HA LEU 70 5.510 -12.807 0.908 619 HB2 LEU 70 2HB LEU 70 7.898 -12.769 2.731 620 HB3 LEU 70 1HB LEU 70 7.452 -14.220 1.862 621 HG LEU 70 HG LEU 70 9.207 -13.128 0.663 622 HD11 LEU 70 1HD1 LEU 70 6.604 -12.673 -0.759 623 HD12 LEU 70 2HD1 LEU 70 7.499 -14.192 -0.656 624 HD13 LEU 70 3HD1 LEU 70 8.197 -12.814 -1.510 625 HD21 LEU 70 3HD2 LEU 70 7.465 -10.661 0.540 626 HD22 LEU 70 1HD2 LEU 70 9.025 -10.862 -0.255 627 HD23 LEU 70 2HD2 LEU 70 8.923 -10.831 1.510 628 H GLU 71 H GLU 71 3.980 -12.122 3.333 629 HA GLU 71 HA GLU 71 3.891 -14.585 4.778 630 HB2 GLU 71 2HB GLU 71 2.072 -12.217 4.847 631 HB3 GLU 71 1HB GLU 71 1.769 -13.678 5.764 632 HG2 GLU 71 2HG GLU 71 4.017 -13.335 6.821 633 HG3 GLU 71 1HG GLU 71 4.027 -11.723 6.104 634 H HIS 72 H HIS 72 2.709 -16.222 4.503 635 HA HIS 72 HA HIS 72 0.277 -16.153 2.960 636 HB2 HIS 72 2HB HIS 72 2.624 -17.978 2.351 637 HB3 HIS 72 1HB HIS 72 0.988 -18.324 1.820 638 HD1 HIS 72 1HD HIS 72 4.028 -16.794 0.695 639 HD2 HIS 72 2HD HIS 72 -0.019 -16.143 0.063 640 HE1 HIS 72 1HE HIS 72 3.886 -15.408 -1.389 641 HE2 HIS 72 2HE HIS 72 1.421 -14.998 -1.734 642 H HIS 73 H HIS 73 -0.800 -16.472 4.868 643 HA HIS 73 HA HIS 73 -0.107 -18.925 6.351 644 HB2 HIS 73 2HB HIS 73 -1.714 -16.546 7.364 645 HB3 HIS 73 1HB HIS 73 -1.271 -17.963 8.300 646 HD1 HIS 73 1HD HIS 73 1.071 -17.928 9.397 647 HD2 HIS 73 2HD HIS 73 0.347 -14.718 6.875 648 HE1 HIS 73 1HE HIS 73 2.942 -16.337 9.787 649 HE2 HIS 73 2HE HIS 73 2.223 -14.267 8.565 650 H HIS 74 H HIS 74 -2.927 -16.844 5.823 651 HA HIS 74 HA HIS 74 -4.340 -19.180 4.844 652 HB2 HIS 74 2HB HIS 74 -4.881 -18.837 7.297 653 HB3 HIS 74 1HB HIS 74 -5.562 -17.275 6.871 654 HD1 HIS 74 1HD HIS 74 -7.920 -17.275 5.829 655 HD2 HIS 74 2HD HIS 74 -6.372 -21.078 6.441 656 HE1 HIS 74 1HE HIS 74 -9.840 -18.851 5.497 657 HE2 HIS 74 2HE HIS 74 -8.757 -21.107 5.503 658 H HIS 75 H HIS 75 -3.560 -17.947 3.018 659 HA HIS 75 HA HIS 75 -5.703 -16.218 2.053 660 HB2 HIS 75 2HB HIS 75 -3.768 -14.741 2.699 661 HB3 HIS 75 1HB HIS 75 -2.735 -15.666 1.622 662 HD1 HIS 75 1HD HIS 75 -5.187 -12.893 1.685 663 HD2 HIS 75 2HD HIS 75 -3.285 -15.231 -1.173 664 HE1 HIS 75 1HE HIS 75 -5.483 -11.679 -0.491 665 HE2 HIS 75 2HE HIS 75 -4.387 -13.155 -2.217 666 H HIS 76 H HIS 76 -6.451 -17.090 0.253 667 HA HIS 76 HA HIS 76 -6.644 -18.187 -1.699 668 HB2 HIS 76 2HB HIS 76 -4.373 -17.511 -2.455 669 HB3 HIS 76 1HB HIS 76 -3.662 -18.793 -1.494 670 HD1 HIS 76 1HD HIS 76 -3.271 -20.958 -2.659 671 HD2 HIS 76 2HD HIS 76 -5.970 -18.545 -4.688 672 HE1 HIS 76 1HE HIS 76 -3.690 -22.111 -4.828 673 HE2 HIS 76 2HE HIS 76 -5.071 -20.456 -6.135 674 H HIS 77 H HIS 77 -5.913 -19.357 1.227 675 HA HIS 77 HA HIS 77 -7.368 -21.708 0.770 676 HB2 HIS 77 2HB HIS 77 -5.788 -23.335 1.654 677 HB3 HIS 77 1HB HIS 77 -5.021 -22.533 0.303 678 HD1 HIS 77 1HD HIS 77 -2.697 -21.676 0.738 679 HD2 HIS 77 2HD HIS 77 -4.777 -22.463 4.244 680 HE1 HIS 77 1HE HIS 77 -1.010 -21.517 2.596 681 HE2 HIS 77 2HE HIS 77 -2.359 -21.686 4.679 Start of MODEL 2 1 H1 MET 1 1HT MET 1 -4.407 24.931 -6.515 2 H2 MET 1 2HT MET 1 -4.475 23.351 -7.109 3 H3 MET 1 3HT MET 1 -4.393 23.630 -5.453 4 HA MET 1 HA MET 1 -6.488 24.594 -5.351 5 HB2 MET 1 2HB MET 1 -6.581 24.199 -8.356 6 HB3 MET 1 1HB MET 1 -7.994 24.555 -7.382 7 HG2 MET 1 2HG MET 1 -7.261 26.581 -8.395 8 HG3 MET 1 1HG MET 1 -6.913 26.675 -6.674 9 HE1 MET 1 2HE MET 1 -3.755 26.121 -10.019 10 HE2 MET 1 3HE MET 1 -5.456 26.480 -10.302 11 HE3 MET 1 1HE MET 1 -4.979 24.899 -9.681 12 H LEU 2 H LEU 2 -5.588 21.797 -7.358 13 HA LEU 2 HA LEU 2 -7.384 20.202 -5.703 14 HB2 LEU 2 2HB LEU 2 -6.854 19.930 -8.666 15 HB3 LEU 2 1HB LEU 2 -7.737 18.770 -7.702 16 HG LEU 2 HG LEU 2 -8.615 21.612 -8.237 17 HD11 LEU 2 1HD1 LEU 2 -9.574 18.997 -9.391 18 HD12 LEU 2 2HD1 LEU 2 -8.690 20.256 -10.251 19 HD13 LEU 2 3HD1 LEU 2 -10.320 20.571 -9.656 20 HD21 LEU 2 3HD2 LEU 2 -10.023 19.312 -6.874 21 HD22 LEU 2 1HD2 LEU 2 -10.756 20.866 -7.276 22 HD23 LEU 2 2HD2 LEU 2 -9.447 20.791 -6.104 23 H LYS 3 H LYS 3 -6.489 18.263 -5.078 24 HA LYS 3 HA LYS 3 -3.724 17.828 -5.906 25 HB2 LYS 3 2HB LYS 3 -5.125 17.062 -3.339 26 HB3 LYS 3 1HB LYS 3 -3.526 16.483 -3.784 27 HG2 LYS 3 2HG LYS 3 -2.697 18.781 -3.826 28 HG3 LYS 3 1HG LYS 3 -4.300 19.367 -3.379 29 HD2 LYS 3 2HD LYS 3 -4.176 18.168 -1.276 30 HD3 LYS 3 1HD LYS 3 -2.620 17.481 -1.732 31 HE2 LYS 3 2HE LYS 3 -3.195 20.422 -1.337 32 HE3 LYS 3 1HE LYS 3 -2.375 19.376 -0.182 33 HZ1 LYS 3 3HZ LYS 3 -0.813 20.661 -1.434 34 HZ2 LYS 3 1HZ LYS 3 -1.396 20.071 -2.902 35 HZ3 LYS 3 2HZ LYS 3 -0.622 19.026 -1.811 36 H HIS 4 H HIS 4 -3.552 16.365 -7.329 37 HA HIS 4 HA HIS 4 -5.618 14.344 -7.622 38 HB2 HIS 4 2HB HIS 4 -4.938 15.662 -9.603 39 HB3 HIS 4 1HB HIS 4 -3.304 15.051 -9.437 40 HD1 HIS 4 1HD HIS 4 -6.628 14.231 -10.964 41 HD2 HIS 4 2HD HIS 4 -3.030 12.254 -10.172 42 HE1 HIS 4 1HE HIS 4 -6.655 12.211 -12.346 43 HE2 HIS 4 2HE HIS 4 -4.455 11.093 -12.003 44 H GLY 5 H GLY 5 -2.349 14.625 -6.473 45 HA2 GLY 5 2HA GLY 5 -2.458 11.744 -5.968 46 HA3 GLY 5 1HA GLY 5 -1.038 12.399 -6.777 47 H LYS 6 H LYS 6 -2.108 11.379 -3.905 48 HA LYS 6 HA LYS 6 -0.257 13.186 -2.492 49 HB2 LYS 6 2HB LYS 6 -2.786 12.029 -1.317 50 HB3 LYS 6 1HB LYS 6 -1.644 13.081 -0.499 51 HG2 LYS 6 2HG LYS 6 -2.200 14.864 -2.163 52 HG3 LYS 6 1HG LYS 6 -3.464 13.803 -2.790 53 HD2 LYS 6 2HD LYS 6 -3.263 14.912 0.012 54 HD3 LYS 6 1HD LYS 6 -4.402 15.420 -1.230 55 HE2 LYS 6 2HE LYS 6 -5.431 13.193 -1.199 56 HE3 LYS 6 1HE LYS 6 -4.267 12.674 0.020 57 HZ1 LYS 6 3HZ LYS 6 -6.355 13.272 1.035 58 HZ2 LYS 6 1HZ LYS 6 -6.309 14.803 0.364 59 HZ3 LYS 6 2HZ LYS 6 -5.175 14.371 1.522 60 H TYR 7 H TYR 7 1.017 12.212 -0.886 61 HA TYR 7 HA TYR 7 1.244 9.307 -1.090 62 HB2 TYR 7 2HB TYR 7 3.040 11.400 0.130 63 HB3 TYR 7 1HB TYR 7 3.321 9.679 0.306 64 HD1 TYR 7 1HD TYR 7 3.387 12.523 -2.018 65 HD2 TYR 7 2HD TYR 7 4.140 8.367 -1.535 66 HE1 TYR 7 1HE TYR 7 4.696 12.524 -4.092 67 HE2 TYR 7 2HE TYR 7 5.453 8.355 -3.597 68 HH TYR 7 HH TYR 7 6.467 11.205 -5.099 69 H VAL 8 H VAL 8 0.224 8.083 0.353 70 HA VAL 8 HA VAL 8 0.036 9.100 3.093 71 HB VAL 8 HB VAL 8 -2.046 7.909 3.444 72 HG11 VAL 8 1HG1 VAL 8 -2.238 9.586 0.955 73 HG12 VAL 8 2HG1 VAL 8 -2.288 10.161 2.622 74 HG13 VAL 8 3HG1 VAL 8 -3.588 9.144 2.001 75 HG21 VAL 8 3HG2 VAL 8 -1.717 5.993 2.008 76 HG22 VAL 8 1HG2 VAL 8 -1.830 7.016 0.574 77 HG23 VAL 8 2HG2 VAL 8 -3.244 6.783 1.600 78 H TYR 9 H TYR 9 -0.523 6.943 4.515 79 HA TYR 9 HA TYR 9 1.538 5.017 3.707 80 HB2 TYR 9 2HB TYR 9 1.000 6.121 6.465 81 HB3 TYR 9 1HB TYR 9 2.073 4.768 6.134 82 HD1 TYR 9 2HD TYR 9 1.571 8.397 5.670 83 HD2 TYR 9 1HD TYR 9 4.284 5.144 5.298 84 HE1 TYR 9 2HE TYR 9 3.405 9.983 5.296 85 HE2 TYR 9 1HE TYR 9 6.130 6.725 4.918 86 HH TYR 9 HH TYR 9 5.726 10.105 5.456 87 H ILE 10 H ILE 10 1.093 2.923 4.055 88 HA ILE 10 HA ILE 10 -1.663 2.329 4.791 89 HB ILE 10 HB ILE 10 0.453 0.497 3.640 90 HG12 ILE 10 2HG1 ILE 10 -0.187 2.160 2.006 91 HG13 ILE 10 1HG1 ILE 10 -0.888 0.615 1.550 92 HG21 ILE 10 1HG2 ILE 10 -1.359 -1.099 3.213 93 HG22 ILE 10 2HG2 ILE 10 -2.482 -0.037 4.062 94 HG23 ILE 10 3HG2 ILE 10 -1.141 -0.782 4.935 95 HD11 ILE 10 3HD1 ILE 10 -3.033 1.369 2.541 96 HD12 ILE 10 1HD1 ILE 10 -2.498 2.366 1.183 97 HD13 ILE 10 2HD1 ILE 10 -2.292 2.944 2.830 98 H ASP 11 H ASP 11 -2.231 1.447 6.591 99 HA ASP 11 HA ASP 11 -0.301 1.153 8.689 100 HB2 ASP 11 2HB ASP 11 -2.437 2.152 9.285 101 HB3 ASP 11 1HB ASP 11 -3.305 0.725 8.749 102 H LEU 12 H LEU 12 0.901 -0.433 7.732 103 HA LEU 12 HA LEU 12 0.083 -3.166 7.573 104 HB2 LEU 12 2HB LEU 12 2.827 -2.084 8.216 105 HB3 LEU 12 1HB LEU 12 2.457 -3.671 7.580 106 HG LEU 12 HG LEU 12 2.092 -1.074 6.100 107 HD11 LEU 12 1HD1 LEU 12 4.428 -1.608 6.462 108 HD12 LEU 12 2HD1 LEU 12 3.995 -1.841 4.767 109 HD13 LEU 12 3HD1 LEU 12 4.171 -3.232 5.834 110 HD21 LEU 12 3HD2 LEU 12 1.769 -3.942 5.197 111 HD22 LEU 12 1HD2 LEU 12 1.702 -2.525 4.150 112 HD23 LEU 12 2HD2 LEU 12 0.479 -2.760 5.394 113 H ASN 13 H ASN 13 1.670 -1.132 9.889 114 HA ASN 13 HA ASN 13 1.472 -0.872 12.118 115 HB2 ASN 13 2HB ASN 13 -0.911 -1.662 11.723 116 HB3 ASN 13 1HB ASN 13 -0.380 -3.264 12.200 117 HD21 ASN 13 1HD2 ASN 13 -1.143 -0.093 13.191 118 HD22 ASN 13 2HD2 ASN 13 -1.125 -0.357 14.893 119 H ASN 14 H ASN 14 2.864 -3.439 10.647 120 HA ASN 14 HA ASN 14 3.621 -4.913 13.011 121 HB2 ASN 14 2HB ASN 14 4.923 -6.385 11.502 122 HB3 ASN 14 1HB ASN 14 3.259 -6.197 10.981 123 HD21 ASN 14 1HD2 ASN 14 3.852 -6.888 8.918 124 HD22 ASN 14 2HD2 ASN 14 4.678 -5.878 7.807 125 H GLY 15 H GLY 15 4.539 -2.073 12.416 126 HA2 GLY 15 2HA GLY 15 6.434 -1.088 13.509 127 HA3 GLY 15 1HA GLY 15 7.340 -2.546 13.131 128 H LYS 16 H LYS 16 5.786 -2.004 10.342 129 HA LYS 16 HA LYS 16 7.374 0.255 9.511 130 HB2 LYS 16 2HB LYS 16 8.187 -0.810 7.474 131 HB3 LYS 16 1HB LYS 16 8.733 -1.718 8.866 132 HG2 LYS 16 2HG LYS 16 6.941 -3.371 8.432 133 HG3 LYS 16 1HG LYS 16 6.510 -2.462 6.982 134 HD2 LYS 16 2HD LYS 16 8.767 -2.779 6.096 135 HD3 LYS 16 1HD LYS 16 9.210 -3.662 7.553 136 HE2 LYS 16 2HE LYS 16 7.496 -5.355 7.004 137 HE3 LYS 16 1HE LYS 16 7.154 -4.482 5.513 138 HZ1 LYS 16 3HZ LYS 16 9.825 -5.594 6.201 139 HZ2 LYS 16 1HZ LYS 16 9.395 -4.913 4.744 140 HZ3 LYS 16 2HZ LYS 16 8.741 -6.395 5.233 141 H TYR 17 H TYR 17 6.590 1.201 7.547 142 HA TYR 17 HA TYR 17 3.792 0.554 6.975 143 HB2 TYR 17 2HB TYR 17 4.911 3.232 7.827 144 HB3 TYR 17 1HB TYR 17 3.460 3.129 6.838 145 HD1 TYR 17 2HD TYR 17 4.776 1.488 9.942 146 HD2 TYR 17 1HD TYR 17 1.473 3.317 8.001 147 HE1 TYR 17 2HE TYR 17 3.412 1.120 11.933 148 HE2 TYR 17 1HE TYR 17 0.102 2.952 10.009 149 HH TYR 17 HH TYR 17 0.070 1.449 11.893 150 H VAL 18 H VAL 18 3.211 0.918 4.878 151 HA VAL 18 HA VAL 18 5.465 1.524 3.135 152 HB VAL 18 HB VAL 18 4.489 -0.674 2.650 153 HG11 VAL 18 1HG1 VAL 18 1.894 0.752 2.258 154 HG12 VAL 18 2HG1 VAL 18 2.307 -0.340 3.589 155 HG13 VAL 18 3HG1 VAL 18 2.184 -0.961 1.944 156 HG21 VAL 18 3HG2 VAL 18 5.273 0.580 0.713 157 HG22 VAL 18 1HG2 VAL 18 3.682 1.316 0.533 158 HG23 VAL 18 2HG2 VAL 18 3.884 -0.417 0.287 159 H LYS 19 H LYS 19 5.420 3.157 1.758 160 HA LYS 19 HA LYS 19 3.281 5.082 2.205 161 HB2 LYS 19 2HB LYS 19 5.663 5.726 2.588 162 HB3 LYS 19 1HB LYS 19 5.952 5.436 0.875 163 HG2 LYS 19 2HG LYS 19 4.366 7.208 0.308 164 HG3 LYS 19 1HG LYS 19 4.069 7.491 2.024 165 HD2 LYS 19 2HD LYS 19 5.655 9.136 1.272 166 HD3 LYS 19 1HD LYS 19 6.498 7.955 2.284 167 HE2 LYS 19 2HE LYS 19 7.285 6.805 0.272 168 HE3 LYS 19 1HE LYS 19 6.459 8.011 -0.712 169 HZ1 LYS 19 3HZ LYS 19 8.687 8.523 1.173 170 HZ2 LYS 19 1HZ LYS 19 7.876 9.701 0.273 171 HZ3 LYS 19 2HZ LYS 19 8.770 8.520 -0.510 172 H VAL 20 H VAL 20 1.824 5.310 0.709 173 HA VAL 20 HA VAL 20 2.450 4.396 -1.990 174 HB VAL 20 HB VAL 20 0.997 2.769 -0.859 175 HG11 VAL 20 1HG1 VAL 20 -1.289 3.341 -0.205 176 HG12 VAL 20 2HG1 VAL 20 -0.906 5.044 -0.467 177 HG13 VAL 20 3HG1 VAL 20 -0.058 4.132 0.777 178 HG21 VAL 20 3HG2 VAL 20 0.653 2.962 -3.239 179 HG22 VAL 20 1HG2 VAL 20 -0.436 4.338 -3.010 180 HG23 VAL 20 2HG2 VAL 20 -0.908 2.733 -2.456 181 H ARG 21 H ARG 21 1.865 5.699 -3.580 182 HA ARG 21 HA ARG 21 0.814 8.310 -2.883 183 HB2 ARG 21 2HB ARG 21 2.840 8.140 -4.310 184 HB3 ARG 21 1HB ARG 21 1.902 7.272 -5.511 185 HG2 ARG 21 2HG ARG 21 0.506 9.253 -5.858 186 HG3 ARG 21 1HG ARG 21 1.443 10.125 -4.641 187 HD2 ARG 21 2HD ARG 21 3.475 9.751 -5.989 188 HD3 ARG 21 1HD ARG 21 2.488 8.969 -7.222 189 HE ARG 21 HE ARG 21 1.375 11.451 -6.862 190 HH11 ARG 21 1HH1 ARG 21 4.526 10.216 -7.886 191 HH12 ARG 21 2HH1 ARG 21 4.915 11.589 -8.808 192 HH21 ARG 21 1HH2 ARG 21 1.934 13.351 -8.127 193 HH22 ARG 21 2HH2 ARG 21 3.425 13.423 -8.913 194 H ILE 22 H ILE 22 -1.242 8.577 -3.008 195 HA ILE 22 HA ILE 22 -2.943 6.708 -4.471 196 HB ILE 22 HB ILE 22 -3.772 9.045 -2.739 197 HG12 ILE 22 2HG1 ILE 22 -2.414 7.550 -1.369 198 HG13 ILE 22 1HG1 ILE 22 -4.097 7.479 -0.873 199 HG21 ILE 22 1HG2 ILE 22 -5.281 6.588 -3.609 200 HG22 ILE 22 2HG2 ILE 22 -5.518 8.233 -4.202 201 HG23 ILE 22 3HG2 ILE 22 -5.903 7.835 -2.527 202 HD11 ILE 22 3HD1 ILE 22 -2.613 5.442 -2.520 203 HD12 ILE 22 1HD1 ILE 22 -4.328 5.364 -2.106 204 HD13 ILE 22 2HD1 ILE 22 -3.113 5.289 -0.834 205 H LEU 23 H LEU 23 -3.081 7.310 -6.593 206 HA LEU 23 HA LEU 23 -3.255 10.148 -7.179 207 HB2 LEU 23 2HB LEU 23 -3.424 7.732 -8.959 208 HB3 LEU 23 1HB LEU 23 -3.305 9.391 -9.519 209 HG LEU 23 HG LEU 23 -1.152 7.930 -7.981 210 HD11 LEU 23 1HD1 LEU 23 0.045 7.870 -10.116 211 HD12 LEU 23 2HD1 LEU 23 -1.379 8.531 -10.921 212 HD13 LEU 23 3HD1 LEU 23 -1.452 6.942 -10.167 213 HD21 LEU 23 3HD2 LEU 23 -1.144 10.590 -9.403 214 HD22 LEU 23 1HD2 LEU 23 0.255 9.816 -8.663 215 HD23 LEU 23 2HD2 LEU 23 -1.093 10.338 -7.657 216 H LYS 24 H LYS 24 -5.138 10.947 -6.823 217 HA LYS 24 HA LYS 24 -7.480 9.218 -6.916 218 HB2 LYS 24 2HB LYS 24 -6.861 10.556 -4.855 219 HB3 LYS 24 1HB LYS 24 -7.215 12.001 -5.786 220 HG2 LYS 24 2HG LYS 24 -9.495 11.427 -5.958 221 HG3 LYS 24 1HG LYS 24 -9.212 9.810 -5.307 222 HD2 LYS 24 2HD LYS 24 -8.406 10.896 -3.202 223 HD3 LYS 24 1HD LYS 24 -8.941 12.439 -3.865 224 HE2 LYS 24 2HE LYS 24 -10.596 11.431 -2.349 225 HE3 LYS 24 1HE LYS 24 -11.212 11.639 -3.988 226 HZ1 LYS 24 3HZ LYS 24 -11.718 9.461 -2.912 227 HZ2 LYS 24 1HZ LYS 24 -10.101 9.040 -3.015 228 HZ3 LYS 24 2HZ LYS 24 -10.993 9.332 -4.409 229 H SER 25 H SER 25 -8.346 9.216 -8.828 230 HA SER 25 HA SER 25 -8.017 11.575 -10.472 231 HB2 SER 25 2HB SER 25 -8.674 8.763 -11.293 232 HB3 SER 25 1HB SER 25 -8.214 10.103 -12.347 233 HG SER 25 HG SER 25 -6.594 9.096 -10.261 234 H ARG 26 H ARG 26 -9.772 12.614 -9.422 235 HA ARG 26 HA ARG 26 -12.424 11.604 -9.895 236 HB2 ARG 26 2HB ARG 26 -11.902 13.026 -7.921 237 HB3 ARG 26 1HB ARG 26 -11.500 14.350 -9.004 238 HG2 ARG 26 2HG ARG 26 -13.766 14.485 -9.771 239 HG3 ARG 26 1HG ARG 26 -14.198 13.044 -8.848 240 HD2 ARG 26 2HD ARG 26 -13.681 14.227 -6.773 241 HD3 ARG 26 1HD ARG 26 -13.248 15.659 -7.700 242 HE ARG 26 HE ARG 26 -15.565 15.632 -8.524 243 HH11 ARG 26 1HH1 ARG 26 -14.881 14.016 -5.434 244 HH12 ARG 26 2HH1 ARG 26 -16.419 14.355 -4.782 245 HH21 ARG 26 1HH2 ARG 26 -17.631 16.061 -7.627 246 HH22 ARG 26 2HH2 ARG 26 -18.011 15.538 -6.031 247 H ASP 27 H ASP 27 -10.046 13.502 -11.405 248 HA ASP 27 HA ASP 27 -11.452 14.910 -13.367 249 HB2 ASP 27 2HB ASP 27 -8.756 13.566 -13.693 250 HB3 ASP 27 1HB ASP 27 -9.337 14.998 -14.537 251 H ASP 28 H ASP 28 -10.257 11.654 -13.149 252 HA ASP 28 HA ASP 28 -11.207 10.758 -15.705 253 HB2 ASP 28 2HB ASP 28 -10.374 9.213 -13.219 254 HB3 ASP 28 1HB ASP 28 -10.798 8.453 -14.743 255 H ASN 29 H ASN 29 -12.165 10.033 -12.354 256 HA ASN 29 HA ASN 29 -14.886 10.584 -12.666 257 HB2 ASN 29 2HB ASN 29 -14.950 8.538 -14.071 258 HB3 ASN 29 1HB ASN 29 -14.261 7.604 -12.751 259 HD21 ASN 29 1HD2 ASN 29 -16.060 6.234 -12.746 260 HD22 ASN 29 2HD2 ASN 29 -17.588 6.716 -12.115 261 H SER 30 H SER 30 -13.514 7.780 -10.991 262 HA SER 30 HA SER 30 -13.215 9.216 -8.504 263 HB2 SER 30 2HB SER 30 -15.138 6.868 -8.806 264 HB3 SER 30 1HB SER 30 -14.715 7.653 -7.287 265 HG SER 30 HG SER 30 -15.480 9.604 -8.652 266 H VAL 31 H VAL 31 -11.509 7.977 -10.382 267 HA VAL 31 HA VAL 31 -10.981 5.241 -9.515 268 HB VAL 31 HB VAL 31 -9.473 6.825 -11.594 269 HG11 VAL 31 1HG1 VAL 31 -8.873 4.628 -12.490 270 HG12 VAL 31 2HG1 VAL 31 -9.747 3.860 -11.167 271 HG13 VAL 31 3HG1 VAL 31 -8.323 4.842 -10.829 272 HG21 VAL 31 3HG2 VAL 31 -10.887 5.792 -13.297 273 HG22 VAL 31 1HG2 VAL 31 -11.838 6.797 -12.205 274 HG23 VAL 31 2HG2 VAL 31 -11.860 5.037 -12.038 275 H GLU 32 H GLU 32 -9.754 5.091 -7.683 276 HA GLU 32 HA GLU 32 -7.559 6.962 -7.398 277 HB2 GLU 32 2HB GLU 32 -8.446 4.747 -5.544 278 HB3 GLU 32 1HB GLU 32 -7.172 5.906 -5.208 279 HG2 GLU 32 2HG GLU 32 -8.874 7.714 -5.382 280 HG3 GLU 32 1HG GLU 32 -10.109 6.456 -5.504 281 H LYS 33 H LYS 33 -5.925 6.499 -8.573 282 HA LYS 33 HA LYS 33 -5.247 3.755 -9.247 283 HB2 LYS 33 2HB LYS 33 -3.921 6.346 -10.144 284 HB3 LYS 33 1HB LYS 33 -3.713 4.752 -10.846 285 HG2 LYS 33 2HG LYS 33 -5.931 4.742 -11.699 286 HG3 LYS 33 1HG LYS 33 -6.341 6.201 -10.801 287 HD2 LYS 33 2HD LYS 33 -4.641 7.428 -12.146 288 HD3 LYS 33 1HD LYS 33 -4.412 5.964 -13.113 289 HE2 LYS 33 2HE LYS 33 -6.720 6.006 -13.801 290 HE3 LYS 33 1HE LYS 33 -7.055 7.366 -12.739 291 HZ1 LYS 33 3HZ LYS 33 -5.489 8.685 -14.084 292 HZ2 LYS 33 1HZ LYS 33 -6.832 8.138 -14.950 293 HZ3 LYS 33 2HZ LYS 33 -5.341 7.380 -15.161 294 H TYR 34 H TYR 34 -3.933 2.745 -7.917 295 HA TYR 34 HA TYR 34 -2.440 4.301 -5.988 296 HB2 TYR 34 2HB TYR 34 -2.875 1.302 -6.152 297 HB3 TYR 34 1HB TYR 34 -2.182 2.183 -4.790 298 HD1 TYR 34 2HD TYR 34 -3.719 4.078 -3.803 299 HD2 TYR 34 1HD TYR 34 -5.170 0.811 -6.100 300 HE1 TYR 34 2HE TYR 34 -5.979 4.424 -2.864 301 HE2 TYR 34 1HE TYR 34 -7.426 1.157 -5.172 302 HH TYR 34 HH TYR 34 -8.332 3.956 -3.490 303 H VAL 35 H VAL 35 -0.241 4.220 -5.827 304 HA VAL 35 HA VAL 35 1.128 3.856 -8.265 305 HB VAL 35 HB VAL 35 1.755 5.499 -6.476 306 HG11 VAL 35 1HG1 VAL 35 1.664 4.149 -4.537 307 HG12 VAL 35 2HG1 VAL 35 3.296 4.799 -4.701 308 HG13 VAL 35 3HG1 VAL 35 2.965 3.117 -5.124 309 HG21 VAL 35 3HG2 VAL 35 3.264 5.145 -8.338 310 HG22 VAL 35 1HG2 VAL 35 3.992 3.762 -7.521 311 HG23 VAL 35 2HG2 VAL 35 4.197 5.384 -6.860 312 H LEU 36 H LEU 36 2.839 2.460 -8.766 313 HA LEU 36 HA LEU 36 2.167 -0.248 -8.129 314 HB2 LEU 36 2HB LEU 36 2.560 0.715 -10.418 315 HB3 LEU 36 1HB LEU 36 4.258 0.802 -10.014 316 HG LEU 36 HG LEU 36 4.350 -1.645 -9.843 317 HD11 LEU 36 1HD1 LEU 36 1.451 -1.511 -10.677 318 HD12 LEU 36 2HD1 LEU 36 2.051 -2.069 -9.114 319 HD13 LEU 36 3HD1 LEU 36 2.416 -2.979 -10.577 320 HD21 LEU 36 3HD2 LEU 36 4.814 -0.569 -11.979 321 HD22 LEU 36 1HD2 LEU 36 3.099 -0.616 -12.386 322 HD23 LEU 36 2HD2 LEU 36 4.003 -2.119 -12.224 323 H THR 37 H THR 37 4.224 1.872 -6.660 324 HA THR 37 HA THR 37 6.359 -0.056 -6.227 325 HB THR 37 HB THR 37 7.002 2.338 -6.702 326 HG1 THR 37 1HG THR 37 8.365 0.957 -5.504 327 HG21 THR 37 3HG2 THR 37 5.811 2.876 -3.973 328 HG22 THR 37 1HG2 THR 37 5.186 3.477 -5.507 329 HG23 THR 37 2HG2 THR 37 6.756 4.022 -4.921 330 H SER 38 H SER 38 7.030 -0.586 -4.039 331 HA SER 38 HA SER 38 4.837 -0.483 -2.110 332 HB2 SER 38 2HB SER 38 6.621 -2.841 -2.743 333 HB3 SER 38 1HB SER 38 5.272 -2.817 -1.601 334 HG SER 38 HG SER 38 4.187 -1.950 -3.693 335 H HIS 39 H HIS 39 7.303 1.105 -2.441 336 HA HIS 39 HA HIS 39 9.335 0.339 -0.662 337 HB2 HIS 39 2HB HIS 39 8.552 2.995 -1.774 338 HB3 HIS 39 1HB HIS 39 9.722 2.936 -0.473 339 HD1 HIS 39 1HD HIS 39 11.673 3.703 -1.946 340 HD2 HIS 39 2HD HIS 39 9.840 0.237 -3.309 341 HE1 HIS 39 1HE HIS 39 13.200 2.773 -3.709 342 HE2 HIS 39 2HE HIS 39 12.240 0.540 -4.225 343 H VAL 40 H VAL 40 9.641 0.372 1.397 344 HA VAL 40 HA VAL 40 7.430 1.294 3.054 345 HB VAL 40 HB VAL 40 8.381 -0.360 4.779 346 HG11 VAL 40 1HG1 VAL 40 7.168 -2.233 3.738 347 HG12 VAL 40 2HG1 VAL 40 7.142 -1.343 2.213 348 HG13 VAL 40 3HG1 VAL 40 6.294 -0.708 3.626 349 HG21 VAL 40 3HG2 VAL 40 10.529 -0.765 3.618 350 HG22 VAL 40 1HG2 VAL 40 9.643 -1.500 2.281 351 HG23 VAL 40 2HG2 VAL 40 9.618 -2.257 3.868 352 H SER 41 H SER 41 7.712 2.277 4.916 353 HA SER 41 HA SER 41 10.311 3.491 5.480 354 HB2 SER 41 2HB SER 41 8.471 5.085 4.855 355 HB3 SER 41 1HB SER 41 7.492 4.430 6.162 356 HG SER 41 HG SER 41 9.857 5.979 6.317 357 H LYS 42 H LYS 42 10.710 3.651 7.852 358 HA LYS 42 HA LYS 42 9.532 1.304 9.160 359 HB2 LYS 42 2HB LYS 42 11.640 1.184 10.476 360 HB3 LYS 42 1HB LYS 42 11.850 0.927 8.753 361 HG2 LYS 42 2HG LYS 42 12.612 3.267 8.543 362 HG3 LYS 42 1HG LYS 42 12.501 3.430 10.299 363 HD2 LYS 42 2HD LYS 42 14.106 1.625 10.572 364 HD3 LYS 42 1HD LYS 42 14.196 1.420 8.824 365 HE2 LYS 42 2HE LYS 42 15.036 3.744 8.647 366 HE3 LYS 42 1HE LYS 42 15.030 3.843 10.404 367 HZ1 LYS 42 3HZ LYS 42 16.633 1.980 8.757 368 HZ2 LYS 42 1HZ LYS 42 16.588 1.963 10.440 369 HZ3 LYS 42 2HZ LYS 42 17.214 3.287 9.619 370 H ASN 43 H ASN 43 8.782 4.239 9.173 371 HA ASN 43 HA ASN 43 8.660 4.490 12.086 372 HB2 ASN 43 2HB ASN 43 9.009 6.658 10.031 373 HB3 ASN 43 1HB ASN 43 8.368 7.003 11.635 374 HD21 ASN 43 1HD2 ASN 43 11.158 6.034 9.815 375 HD22 ASN 43 2HD2 ASN 43 12.297 6.233 11.098 376 H ARG 44 H ARG 44 6.777 5.660 12.873 377 HA ARG 44 HA ARG 44 4.435 4.969 11.254 378 HB2 ARG 44 2HB ARG 44 4.664 5.183 14.262 379 HB3 ARG 44 1HB ARG 44 3.244 4.685 13.359 380 HG2 ARG 44 2HG ARG 44 4.513 2.722 12.540 381 HG3 ARG 44 1HG ARG 44 5.856 3.210 13.568 382 HD2 ARG 44 2HD ARG 44 4.535 1.502 14.680 383 HD3 ARG 44 1HD ARG 44 4.413 3.035 15.541 384 HE ARG 44 HE ARG 44 2.281 2.777 13.691 385 HH11 ARG 44 1HH1 ARG 44 3.332 1.404 16.792 386 HH12 ARG 44 2HH1 ARG 44 1.733 1.174 17.330 387 HH21 ARG 44 1HH2 ARG 44 0.151 2.393 14.459 388 HH22 ARG 44 2HH2 ARG 44 -0.069 1.716 16.022 389 HA PRO 45 HA PRO 45 4.058 9.457 11.741 390 HB2 PRO 45 2HB PRO 45 2.524 9.654 9.390 391 HB3 PRO 45 1HB PRO 45 4.246 9.981 9.546 392 HG2 PRO 45 2HG PRO 45 3.071 7.863 8.101 393 HG3 PRO 45 1HG PRO 45 4.785 8.046 8.489 394 HD2 PRO 45 2HD PRO 45 2.725 6.342 9.788 395 HD3 PRO 45 1HD PRO 45 4.480 6.116 9.646 396 H LYS 46 H LYS 46 2.542 10.330 12.972 397 HA LYS 46 HA LYS 46 -0.116 9.113 13.053 398 HB2 LYS 46 2HB LYS 46 1.185 9.351 15.136 399 HB3 LYS 46 1HB LYS 46 1.165 11.095 14.939 400 HG2 LYS 46 2HG LYS 46 -1.285 11.063 15.156 401 HG3 LYS 46 1HG LYS 46 -1.228 9.316 15.378 402 HD2 LYS 46 2HD LYS 46 0.137 11.338 17.151 403 HD3 LYS 46 1HD LYS 46 -1.397 10.561 17.517 404 HE2 LYS 46 2HE LYS 46 1.264 9.146 17.166 405 HE3 LYS 46 1HE LYS 46 0.492 9.514 18.694 406 HZ1 LYS 46 3HZ LYS 46 -1.366 8.065 18.037 407 HZ2 LYS 46 1HZ LYS 46 0.079 7.220 18.069 408 HZ3 LYS 46 2HZ LYS 46 -0.575 7.683 16.606 409 H ASN 47 H ASN 47 1.510 11.962 12.067 410 HA ASN 47 HA ASN 47 -0.978 13.489 11.898 411 HB2 ASN 47 2HB ASN 47 1.884 14.301 11.367 412 HB3 ASN 47 1HB ASN 47 0.501 15.351 11.089 413 HD21 ASN 47 1HD2 ASN 47 -0.611 16.190 12.862 414 HD22 ASN 47 2HD2 ASN 47 0.050 16.150 14.453 415 H ALA 48 H ALA 48 -0.135 11.148 10.189 416 HA ALA 48 HA ALA 48 -0.680 12.455 7.644 417 HB1 ALA 48 1HB ALA 48 1.033 9.999 8.054 418 HB2 ALA 48 2HB ALA 48 1.644 11.608 7.672 419 HB3 ALA 48 3HB ALA 48 0.643 10.744 6.505 420 H ILE 49 H ILE 49 -1.827 10.984 6.162 421 HA ILE 49 HA ILE 49 -3.885 9.633 7.640 422 HB ILE 49 HB ILE 49 -3.558 10.051 4.655 423 HG12 ILE 49 2HG1 ILE 49 -3.925 12.163 5.844 424 HG13 ILE 49 1HG1 ILE 49 -5.341 11.744 4.893 425 HG21 ILE 49 1HG2 ILE 49 -5.947 8.995 6.161 426 HG22 ILE 49 2HG2 ILE 49 -4.907 8.072 5.082 427 HG23 ILE 49 3HG2 ILE 49 -5.913 9.375 4.438 428 HD11 ILE 49 3HD1 ILE 49 -5.979 12.644 7.047 429 HD12 ILE 49 1HD1 ILE 49 -5.034 11.404 7.875 430 HD13 ILE 49 2HD1 ILE 49 -6.455 10.954 6.928 431 H VAL 50 H VAL 50 -3.867 7.591 8.098 432 HA VAL 50 HA VAL 50 -2.182 5.826 6.515 433 HB VAL 50 HB VAL 50 -2.049 4.311 8.479 434 HG11 VAL 50 1HG1 VAL 50 -1.121 7.122 8.995 435 HG12 VAL 50 2HG1 VAL 50 -0.253 5.870 8.103 436 HG13 VAL 50 3HG1 VAL 50 -0.523 5.692 9.837 437 HG21 VAL 50 3HG2 VAL 50 -3.438 6.545 9.972 438 HG22 VAL 50 1HG2 VAL 50 -2.710 5.122 10.720 439 HG23 VAL 50 2HG2 VAL 50 -4.101 4.945 9.652 440 H ILE 51 H ILE 51 -3.100 4.365 5.397 441 HA ILE 51 HA ILE 51 -5.949 3.797 5.881 442 HB ILE 51 HB ILE 51 -4.383 3.454 3.290 443 HG12 ILE 51 2HG1 ILE 51 -6.334 5.632 4.093 444 HG13 ILE 51 1HG1 ILE 51 -4.605 5.830 3.863 445 HG21 ILE 51 1HG2 ILE 51 -6.270 1.938 3.520 446 HG22 ILE 51 2HG2 ILE 51 -6.589 3.146 2.275 447 HG23 ILE 51 3HG2 ILE 51 -7.339 3.295 3.867 448 HD11 ILE 51 3HD1 ILE 51 -6.596 5.112 1.717 449 HD12 ILE 51 1HD1 ILE 51 -4.856 5.288 1.488 450 HD13 ILE 51 2HD1 ILE 51 -5.827 6.684 1.951 451 H LYS 52 H LYS 52 -6.482 1.654 6.264 452 HA LYS 52 HA LYS 52 -4.165 -0.055 6.618 453 HB2 LYS 52 2HB LYS 52 -5.974 0.351 8.390 454 HB3 LYS 52 1HB LYS 52 -6.998 -0.691 7.419 455 HG2 LYS 52 2HG LYS 52 -5.560 -2.552 7.760 456 HG3 LYS 52 1HG LYS 52 -4.329 -1.540 8.510 457 HD2 LYS 52 2HD LYS 52 -5.918 -0.998 10.322 458 HD3 LYS 52 1HD LYS 52 -7.087 -2.095 9.600 459 HE2 LYS 52 2HE LYS 52 -5.922 -3.178 11.428 460 HE3 LYS 52 1HE LYS 52 -5.529 -3.946 9.895 461 HZ1 LYS 52 3HZ LYS 52 -3.423 -3.002 9.874 462 HZ2 LYS 52 1HZ LYS 52 -3.639 -3.529 11.442 463 HZ3 LYS 52 2HZ LYS 52 -3.750 -1.860 11.052 464 H MET 53 H MET 53 -4.197 -2.298 5.868 465 HA MET 53 HA MET 53 -4.338 -2.416 3.100 466 HB2 MET 53 2HB MET 53 -4.269 -4.706 5.045 467 HB3 MET 53 1HB MET 53 -3.999 -4.876 3.318 468 HG2 MET 53 2HG MET 53 -2.054 -3.374 3.501 469 HG3 MET 53 1HG MET 53 -2.318 -3.273 5.237 470 HE1 MET 53 3HE MET 53 -1.609 -6.977 6.358 471 HE2 MET 53 1HE MET 53 -3.180 -6.326 5.891 472 HE3 MET 53 2HE MET 53 -2.089 -5.360 6.879 473 H ASP 54 H ASP 54 -6.737 -3.391 5.368 474 HA ASP 54 HA ASP 54 -8.465 -4.937 3.829 475 HB2 ASP 54 2HB ASP 54 -8.752 -4.649 6.219 476 HB3 ASP 54 1HB ASP 54 -9.134 -2.949 5.998 477 H ASN 55 H ASN 55 -7.941 -1.517 3.717 478 HA ASN 55 HA ASN 55 -10.390 -0.953 2.275 479 HB2 ASN 55 2HB ASN 55 -9.444 0.624 3.944 480 HB3 ASN 55 1HB ASN 55 -8.047 0.841 2.911 481 HD21 ASN 55 1HD2 ASN 55 -8.204 2.190 1.138 482 HD22 ASN 55 2HD2 ASN 55 -9.578 3.159 0.810 483 H LEU 56 H LEU 56 -7.357 -2.131 1.399 484 HA LEU 56 HA LEU 56 -7.409 -0.765 -1.183 485 HB2 LEU 56 2HB LEU 56 -5.159 -2.232 0.197 486 HB3 LEU 56 1HB LEU 56 -5.078 -1.693 -1.463 487 HG LEU 56 HG LEU 56 -3.855 -0.155 -0.159 488 HD11 LEU 56 1HD1 LEU 56 -5.152 0.859 -1.908 489 HD12 LEU 56 2HD1 LEU 56 -4.975 1.951 -0.540 490 HD13 LEU 56 3HD1 LEU 56 -6.500 1.111 -0.798 491 HD21 LEU 56 3HD2 LEU 56 -4.879 1.127 1.714 492 HD22 LEU 56 1HD2 LEU 56 -4.687 -0.600 2.051 493 HD23 LEU 56 2HD2 LEU 56 -6.267 0.047 1.623 494 HA PRO 57 HA PRO 57 -8.777 -4.406 -3.347 495 HB2 PRO 57 2HB PRO 57 -6.857 -3.504 -5.439 496 HB3 PRO 57 1HB PRO 57 -8.576 -3.883 -5.590 497 HG2 PRO 57 2HG PRO 57 -7.780 -1.366 -5.612 498 HG3 PRO 57 1HG PRO 57 -9.236 -1.831 -4.711 499 HD2 PRO 57 2HD PRO 57 -6.487 -1.242 -3.696 500 HD3 PRO 57 1HD PRO 57 -8.064 -0.771 -3.034 501 H ILE 58 H ILE 58 -7.896 -6.379 -4.397 502 HA ILE 58 HA ILE 58 -5.841 -7.382 -2.796 503 HB ILE 58 HB ILE 58 -5.982 -9.507 -4.093 504 HG12 ILE 58 2HG1 ILE 58 -8.134 -9.706 -5.562 505 HG13 ILE 58 1HG1 ILE 58 -7.992 -7.966 -5.740 506 HG21 ILE 58 1HG2 ILE 58 -8.565 -8.431 -3.041 507 HG22 ILE 58 2HG2 ILE 58 -7.278 -9.206 -2.117 508 HG23 ILE 58 3HG2 ILE 58 -8.200 -10.134 -3.302 509 HD11 ILE 58 3HD1 ILE 58 -5.946 -10.011 -6.576 510 HD12 ILE 58 1HD1 ILE 58 -5.783 -8.263 -6.748 511 HD13 ILE 58 2HD1 ILE 58 -7.037 -9.124 -7.640 512 H GLU 59 H GLU 59 -5.718 -6.082 -6.020 513 HA GLU 59 HA GLU 59 -3.218 -7.102 -6.750 514 HB2 GLU 59 2HB GLU 59 -4.317 -4.385 -7.500 515 HB3 GLU 59 1HB GLU 59 -3.064 -5.272 -8.345 516 HG2 GLU 59 2HG GLU 59 -4.832 -5.720 -9.694 517 HG3 GLU 59 1HG GLU 59 -4.981 -7.066 -8.572 518 H VAL 60 H VAL 60 -4.143 -4.302 -4.900 519 HA VAL 60 HA VAL 60 -1.544 -3.167 -4.695 520 HB VAL 60 HB VAL 60 -3.893 -2.792 -2.818 521 HG11 VAL 60 1HG1 VAL 60 -1.486 -1.034 -3.329 522 HG12 VAL 60 2HG1 VAL 60 -1.793 -1.987 -1.880 523 HG13 VAL 60 3HG1 VAL 60 -2.845 -0.629 -2.279 524 HG21 VAL 60 3HG2 VAL 60 -3.160 -1.224 -5.291 525 HG22 VAL 60 1HG2 VAL 60 -4.430 -0.790 -4.148 526 HG23 VAL 60 2HG2 VAL 60 -4.567 -2.271 -5.092 527 H LYS 61 H LYS 61 -3.554 -5.150 -2.558 528 HA LYS 61 HA LYS 61 -1.660 -5.418 -0.492 529 HB2 LYS 61 2HB LYS 61 -3.926 -7.253 -1.278 530 HB3 LYS 61 1HB LYS 61 -2.959 -7.465 0.172 531 HG2 LYS 61 2HG LYS 61 -3.636 -5.112 0.771 532 HG3 LYS 61 1HG LYS 61 -4.853 -5.236 -0.497 533 HD2 LYS 61 2HD LYS 61 -4.616 -7.260 1.740 534 HD3 LYS 61 1HD LYS 61 -5.658 -5.848 1.840 535 HE2 LYS 61 2HE LYS 61 -5.912 -7.695 -0.501 536 HE3 LYS 61 1HE LYS 61 -6.609 -8.163 1.045 537 HZ1 LYS 61 3HZ LYS 61 -8.184 -6.994 -0.408 538 HZ2 LYS 61 1HZ LYS 61 -7.253 -5.583 -0.329 539 HZ3 LYS 61 2HZ LYS 61 -7.950 -6.249 1.056 540 H ASP 62 H ASP 62 -2.207 -7.201 -3.369 541 HA ASP 62 HA ASP 62 -0.424 -9.346 -3.025 542 HB2 ASP 62 2HB ASP 62 -2.033 -9.308 -4.855 543 HB3 ASP 62 1HB ASP 62 -1.237 -7.909 -5.559 544 H LYS 63 H LYS 63 0.054 -6.130 -4.420 545 HA LYS 63 HA LYS 63 2.777 -6.404 -5.104 546 HB2 LYS 63 2HB LYS 63 1.271 -3.931 -4.238 547 HB3 LYS 63 1HB LYS 63 2.856 -3.920 -4.973 548 HG2 LYS 63 2HG LYS 63 0.446 -5.037 -6.368 549 HG3 LYS 63 1HG LYS 63 0.825 -3.332 -6.416 550 HD2 LYS 63 2HD LYS 63 1.720 -4.242 -8.418 551 HD3 LYS 63 1HD LYS 63 3.107 -4.034 -7.358 552 HE2 LYS 63 2HE LYS 63 3.124 -6.136 -8.620 553 HE3 LYS 63 1HE LYS 63 3.148 -6.440 -6.901 554 HZ1 LYS 63 3HZ LYS 63 0.829 -6.668 -8.758 555 HZ2 LYS 63 1HZ LYS 63 0.671 -6.835 -7.092 556 HZ3 LYS 63 2HZ LYS 63 1.595 -7.916 -7.954 557 H LEU 64 H LEU 64 1.202 -5.186 -2.228 558 HA LEU 64 HA LEU 64 3.476 -4.517 -0.754 559 HB2 LEU 64 2HB LEU 64 0.845 -5.537 0.308 560 HB3 LEU 64 1HB LEU 64 2.028 -4.609 1.202 561 HG LEU 64 HG LEU 64 0.271 -3.662 -1.051 562 HD11 LEU 64 1HD1 LEU 64 0.431 -2.838 1.830 563 HD12 LEU 64 2HD1 LEU 64 -0.839 -3.804 1.079 564 HD13 LEU 64 3HD1 LEU 64 -0.616 -2.120 0.605 565 HD21 LEU 64 3HD2 LEU 64 1.302 -1.438 -0.739 566 HD22 LEU 64 1HD2 LEU 64 2.446 -2.635 -1.350 567 HD23 LEU 64 2HD2 LEU 64 2.490 -2.171 0.345 568 H THR 65 H THR 65 1.685 -7.520 -1.004 569 HA THR 65 HA THR 65 3.190 -8.842 0.940 570 HB THR 65 HB THR 65 1.485 -10.048 -1.246 571 HG1 THR 65 1HG THR 65 0.283 -8.680 0.061 572 HG21 THR 65 3HG2 THR 65 1.335 -11.994 0.252 573 HG22 THR 65 1HG2 THR 65 2.419 -11.208 1.397 574 HG23 THR 65 2HG2 THR 65 3.011 -11.680 -0.193 575 H ARG 66 H ARG 66 3.317 -9.008 -2.586 576 HA ARG 66 HA ARG 66 5.394 -10.864 -2.684 577 HB2 ARG 66 2HB ARG 66 4.258 -8.961 -4.669 578 HB3 ARG 66 1HB ARG 66 5.719 -9.863 -5.046 579 HG2 ARG 66 2HG ARG 66 4.568 -11.950 -4.708 580 HG3 ARG 66 1HG ARG 66 3.109 -11.097 -4.202 581 HD2 ARG 66 2HD ARG 66 2.711 -10.262 -6.338 582 HD3 ARG 66 1HD ARG 66 4.356 -10.583 -6.872 583 HE ARG 66 HE ARG 66 3.604 -13.019 -6.466 584 HH11 ARG 66 1HH1 ARG 66 1.344 -10.556 -7.589 585 HH12 ARG 66 2HH1 ARG 66 0.727 -11.467 -8.881 586 HH21 ARG 66 1HH2 ARG 66 2.726 -14.338 -8.274 587 HH22 ARG 66 2HH2 ARG 66 1.534 -13.664 -9.274 588 H PHE 67 H PHE 67 5.548 -7.460 -2.143 589 HA PHE 67 HA PHE 67 8.391 -7.497 -2.703 590 HB2 PHE 67 2HB PHE 67 7.007 -5.483 -3.274 591 HB3 PHE 67 1HB PHE 67 6.774 -5.213 -1.551 592 HD1 PHE 67 2HD PHE 67 9.373 -5.469 -4.181 593 HD2 PHE 67 1HD PHE 67 8.420 -3.943 -0.303 594 HE1 PHE 67 2HE PHE 67 11.465 -4.180 -4.149 595 HE2 PHE 67 1HE PHE 67 10.483 -2.672 -0.295 596 HZ PHE 67 HZ PHE 67 12.021 -2.784 -2.208 597 H PHE 68 H PHE 68 6.323 -6.774 0.140 598 HA PHE 68 HA PHE 68 8.691 -7.446 1.724 599 HB2 PHE 68 2HB PHE 68 8.072 -5.740 3.376 600 HB3 PHE 68 1HB PHE 68 8.439 -5.076 1.793 601 HD1 PHE 68 1HD PHE 68 5.736 -5.855 4.164 602 HD2 PHE 68 2HD PHE 68 6.782 -3.844 0.568 603 HE1 PHE 68 1HE PHE 68 3.600 -4.678 4.194 604 HE2 PHE 68 2HE PHE 68 4.655 -2.665 0.603 605 HZ PHE 68 HZ PHE 68 3.051 -3.079 2.414 606 H LEU 69 H LEU 69 5.161 -7.868 1.632 607 HA LEU 69 HA LEU 69 5.076 -8.594 4.393 608 HB2 LEU 69 2HB LEU 69 3.060 -7.758 2.873 609 HB3 LEU 69 1HB LEU 69 2.910 -9.487 2.582 610 HG LEU 69 HG LEU 69 2.598 -9.931 4.927 611 HD11 LEU 69 1HD1 LEU 69 2.124 -8.074 6.464 612 HD12 LEU 69 2HD1 LEU 69 2.656 -6.930 5.229 613 HD13 LEU 69 3HD1 LEU 69 3.798 -8.085 5.922 614 HD21 LEU 69 3HD2 LEU 69 0.667 -9.609 3.475 615 HD22 LEU 69 1HD2 LEU 69 0.711 -7.873 3.780 616 HD23 LEU 69 2HD2 LEU 69 0.343 -8.993 5.094 617 H LEU 70 H LEU 70 5.781 -10.411 1.564 618 HA LEU 70 HA LEU 70 5.339 -13.014 2.568 619 HB2 LEU 70 2HB LEU 70 7.525 -12.014 0.743 620 HB3 LEU 70 1HB LEU 70 7.205 -13.700 1.060 621 HG LEU 70 HG LEU 70 5.284 -11.805 -0.295 622 HD11 LEU 70 1HD1 LEU 70 7.271 -12.196 -1.604 623 HD12 LEU 70 2HD1 LEU 70 5.886 -13.032 -2.320 624 HD13 LEU 70 3HD1 LEU 70 7.095 -13.935 -1.394 625 HD21 LEU 70 3HD2 LEU 70 4.074 -13.844 -0.897 626 HD22 LEU 70 1HD2 LEU 70 4.159 -13.658 0.854 627 HD23 LEU 70 2HD2 LEU 70 5.220 -14.807 0.037 628 H GLU 71 H GLU 71 7.826 -10.661 3.104 629 HA GLU 71 HA GLU 71 9.325 -12.509 4.780 630 HB2 GLU 71 2HB GLU 71 10.469 -10.976 3.113 631 HB3 GLU 71 1HB GLU 71 9.972 -9.621 4.111 632 HG2 GLU 71 2HG GLU 71 11.251 -10.482 5.958 633 HG3 GLU 71 1HG GLU 71 11.733 -11.885 5.007 634 H HIS 72 H HIS 72 6.763 -10.574 4.993 635 HA HIS 72 HA HIS 72 5.441 -9.681 6.540 636 HB2 HIS 72 2HB HIS 72 7.150 -11.238 8.488 637 HB3 HIS 72 1HB HIS 72 5.665 -10.415 8.935 638 HD1 HIS 72 1HD HIS 72 3.652 -11.848 8.864 639 HD2 HIS 72 2HD HIS 72 6.684 -13.347 6.473 640 HE1 HIS 72 1HE HIS 72 2.851 -14.100 8.087 641 HE2 HIS 72 2HE HIS 72 4.820 -15.069 6.863 642 H HIS 73 H HIS 73 8.102 -9.630 8.758 643 HA HIS 73 HA HIS 73 8.385 -6.756 8.320 644 HB2 HIS 73 2HB HIS 73 6.934 -7.013 10.293 645 HB3 HIS 73 1HB HIS 73 8.115 -8.085 11.036 646 HD1 HIS 73 1HD HIS 73 9.342 -6.897 12.810 647 HD2 HIS 73 2HD HIS 73 8.397 -4.352 9.672 648 HE1 HIS 73 1HE HIS 73 10.307 -4.680 13.434 649 HE2 HIS 73 2HE HIS 73 9.864 -3.199 11.463 650 H HIS 74 H HIS 74 9.616 -9.616 9.978 651 HA HIS 74 HA HIS 74 11.572 -10.516 10.207 652 HB2 HIS 74 2HB HIS 74 11.671 -10.628 7.852 653 HB3 HIS 74 1HB HIS 74 12.169 -8.951 7.701 654 HD1 HIS 74 1HD HIS 74 14.206 -9.496 6.392 655 HD2 HIS 74 2HD HIS 74 14.126 -11.479 10.030 656 HE1 HIS 74 1HE HIS 74 16.516 -10.485 6.687 657 HE2 HIS 74 2HE HIS 74 16.277 -11.946 8.716 658 H HIS 75 H HIS 75 12.010 -9.825 12.079 659 HA HIS 75 HA HIS 75 14.000 -7.666 12.293 660 HB2 HIS 75 2HB HIS 75 11.802 -7.152 13.375 661 HB3 HIS 75 1HB HIS 75 12.007 -8.575 14.387 662 HD1 HIS 75 1HD HIS 75 13.187 -8.171 16.615 663 HD2 HIS 75 2HD HIS 75 13.827 -5.122 13.853 664 HE1 HIS 75 1HE HIS 75 14.383 -6.397 17.847 665 HE2 HIS 75 2HE HIS 75 15.006 -4.722 16.093 666 H HIS 76 H HIS 76 13.111 -10.943 12.810 667 HA HIS 76 HA HIS 76 15.148 -11.443 14.760 668 HB2 HIS 76 2HB HIS 76 12.938 -12.643 14.832 669 HB3 HIS 76 1HB HIS 76 13.388 -13.455 13.338 670 HD1 HIS 76 1HD HIS 76 14.615 -15.658 13.635 671 HD2 HIS 76 2HD HIS 76 14.787 -13.269 17.035 672 HE1 HIS 76 1HE HIS 76 15.774 -17.031 15.365 673 HE2 HIS 76 2HE HIS 76 15.528 -15.685 17.473 674 H HIS 77 H HIS 77 17.127 -12.114 14.329 675 HA HIS 77 HA HIS 77 17.698 -12.905 11.563 676 HB2 HIS 77 2HB HIS 77 19.603 -11.735 13.612 677 HB3 HIS 77 1HB HIS 77 20.034 -12.223 11.978 678 HD1 HIS 77 1HD HIS 77 19.594 -9.316 13.740 679 HD2 HIS 77 2HD HIS 77 18.023 -10.639 10.145 680 HE1 HIS 77 1HE HIS 77 18.904 -7.250 12.513 681 HE2 HIS 77 2HE HIS 77 17.685 -8.105 10.513 Start of MODEL 3 1 H1 MET 1 1HT MET 1 -6.100 22.039 -10.710 2 H2 MET 1 2HT MET 1 -7.536 21.527 -9.996 3 H3 MET 1 3HT MET 1 -6.843 20.638 -11.265 4 HA MET 1 HA MET 1 -5.608 21.107 -8.660 5 HB2 MET 1 2HB MET 1 -6.903 18.581 -9.729 6 HB3 MET 1 1HB MET 1 -6.000 18.691 -8.231 7 HG2 MET 1 2HG MET 1 -8.308 18.687 -7.677 8 HG3 MET 1 1HG MET 1 -7.719 20.325 -7.415 9 HE1 MET 1 2HE MET 1 -11.400 20.970 -8.559 10 HE2 MET 1 3HE MET 1 -10.169 21.305 -7.341 11 HE3 MET 1 1HE MET 1 -10.801 19.668 -7.528 12 H LEU 2 H LEU 2 -3.544 21.312 -9.126 13 HA LEU 2 HA LEU 2 -2.322 19.881 -11.347 14 HB2 LEU 2 2HB LEU 2 -1.124 21.780 -9.331 15 HB3 LEU 2 1HB LEU 2 -0.271 21.101 -10.698 16 HG LEU 2 HG LEU 2 -2.616 22.996 -10.849 17 HD11 LEU 2 1HD1 LEU 2 -0.980 24.603 -11.647 18 HD12 LEU 2 2HD1 LEU 2 0.307 23.416 -11.432 19 HD13 LEU 2 3HD1 LEU 2 -0.566 24.035 -10.030 20 HD21 LEU 2 3HD2 LEU 2 -2.583 21.471 -12.761 21 HD22 LEU 2 1HD2 LEU 2 -0.878 21.838 -13.034 22 HD23 LEU 2 2HD2 LEU 2 -2.096 23.093 -13.247 23 H LYS 3 H LYS 3 -2.838 19.481 -8.064 24 HA LYS 3 HA LYS 3 -0.558 17.771 -7.601 25 HB2 LYS 3 2HB LYS 3 -1.496 19.368 -5.905 26 HB3 LYS 3 1HB LYS 3 -2.946 18.383 -5.859 27 HG2 LYS 3 2HG LYS 3 -1.565 16.491 -5.060 28 HG3 LYS 3 1HG LYS 3 -0.181 17.584 -5.018 29 HD2 LYS 3 2HD LYS 3 -1.323 19.049 -3.464 30 HD3 LYS 3 1HD LYS 3 -2.754 18.020 -3.510 31 HE2 LYS 3 2HE LYS 3 -0.024 17.236 -2.516 32 HE3 LYS 3 1HE LYS 3 -1.427 17.615 -1.522 33 HZ1 LYS 3 3HZ LYS 3 -2.580 15.727 -2.485 34 HZ2 LYS 3 1HZ LYS 3 -1.141 15.267 -1.741 35 HZ3 LYS 3 2HZ LYS 3 -1.228 15.341 -3.424 36 H HIS 4 H HIS 4 -0.828 16.004 -8.871 37 HA HIS 4 HA HIS 4 -3.415 14.640 -8.987 38 HB2 HIS 4 2HB HIS 4 -0.898 14.296 -10.635 39 HB3 HIS 4 1HB HIS 4 -2.283 13.228 -10.766 40 HD1 HIS 4 1HD HIS 4 -3.356 13.791 -12.995 41 HD2 HIS 4 2HD HIS 4 -2.174 17.190 -10.892 42 HE1 HIS 4 1HE HIS 4 -4.095 15.714 -14.358 43 HE2 HIS 4 2HE HIS 4 -3.042 17.689 -13.270 44 H GLY 5 H GLY 5 -1.288 14.531 -6.716 45 HA2 GLY 5 2HA GLY 5 -1.775 11.753 -6.226 46 HA3 GLY 5 1HA GLY 5 -0.083 12.140 -6.501 47 H LYS 6 H LYS 6 -1.699 11.242 -4.132 48 HA LYS 6 HA LYS 6 -0.342 13.102 -2.392 49 HB2 LYS 6 2HB LYS 6 -2.039 12.845 -0.586 50 HB3 LYS 6 1HB LYS 6 -2.637 13.681 -1.999 51 HG2 LYS 6 2HG LYS 6 -3.170 10.766 -1.605 52 HG3 LYS 6 1HG LYS 6 -4.140 11.980 -0.772 53 HD2 LYS 6 2HD LYS 6 -4.671 12.986 -2.990 54 HD3 LYS 6 1HD LYS 6 -3.792 11.661 -3.759 55 HE2 LYS 6 2HE LYS 6 -6.198 11.222 -3.754 56 HE3 LYS 6 1HE LYS 6 -5.347 10.056 -2.750 57 HZ1 LYS 6 3HZ LYS 6 -6.914 12.394 -1.760 58 HZ2 LYS 6 1HZ LYS 6 -6.021 11.342 -0.789 59 HZ3 LYS 6 2HZ LYS 6 -7.318 10.774 -1.654 60 H TYR 7 H TYR 7 0.656 12.278 -0.600 61 HA TYR 7 HA TYR 7 1.187 9.412 -0.863 62 HB2 TYR 7 2HB TYR 7 2.735 11.566 0.573 63 HB3 TYR 7 1HB TYR 7 3.165 9.864 0.564 64 HD1 TYR 7 2HD TYR 7 3.987 8.814 -1.506 65 HD2 TYR 7 1HD TYR 7 3.187 12.981 -1.272 66 HE1 TYR 7 2HE TYR 7 5.318 9.177 -3.540 67 HE2 TYR 7 1HE TYR 7 4.504 13.357 -3.298 68 HH TYR 7 HH TYR 7 6.295 12.274 -4.516 69 H VAL 8 H VAL 8 0.155 8.148 0.456 70 HA VAL 8 HA VAL 8 -0.247 9.073 3.195 71 HB VAL 8 HB VAL 8 -2.261 7.630 3.346 72 HG11 VAL 8 1HG1 VAL 8 -3.795 9.040 2.085 73 HG12 VAL 8 2HG1 VAL 8 -2.441 9.692 1.158 74 HG13 VAL 8 3HG1 VAL 8 -2.552 9.994 2.893 75 HG21 VAL 8 3HG2 VAL 8 -1.929 7.294 0.360 76 HG22 VAL 8 1HG2 VAL 8 -3.330 6.769 1.295 77 HG23 VAL 8 2HG2 VAL 8 -1.752 6.033 1.577 78 H TYR 9 H TYR 9 -0.694 6.948 4.554 79 HA TYR 9 HA TYR 9 1.388 5.061 3.737 80 HB2 TYR 9 2HB TYR 9 0.807 6.178 6.467 81 HB3 TYR 9 1HB TYR 9 1.779 4.734 6.224 82 HD1 TYR 9 2HD TYR 9 1.579 8.364 5.590 83 HD2 TYR 9 1HD TYR 9 4.076 4.933 5.640 84 HE1 TYR 9 2HE TYR 9 3.551 9.807 5.381 85 HE2 TYR 9 1HE TYR 9 6.056 6.362 5.439 86 HH TYR 9 HH TYR 9 5.944 9.681 5.950 87 H ILE 10 H ILE 10 0.937 2.984 3.995 88 HA ILE 10 HA ILE 10 -1.808 2.362 4.739 89 HB ILE 10 HB ILE 10 0.307 0.547 3.557 90 HG12 ILE 10 2HG1 ILE 10 -0.232 2.178 1.898 91 HG13 ILE 10 1HG1 ILE 10 -1.075 0.700 1.461 92 HG21 ILE 10 1HG2 ILE 10 -2.623 0.016 3.956 93 HG22 ILE 10 2HG2 ILE 10 -1.281 -0.761 4.796 94 HG23 ILE 10 3HG2 ILE 10 -1.509 -1.023 3.067 95 HD11 ILE 10 3HD1 ILE 10 -2.543 2.556 1.084 96 HD12 ILE 10 1HD1 ILE 10 -2.253 3.167 2.716 97 HD13 ILE 10 2HD1 ILE 10 -3.134 1.667 2.489 98 H ASP 11 H ASP 11 -2.314 1.496 6.578 99 HA ASP 11 HA ASP 11 -0.302 1.244 8.588 100 HB2 ASP 11 2HB ASP 11 -2.459 2.178 9.259 101 HB3 ASP 11 1HB ASP 11 -3.279 0.697 8.784 102 H LEU 12 H LEU 12 0.967 -0.285 8.153 103 HA LEU 12 HA LEU 12 0.102 -2.981 7.719 104 HB2 LEU 12 2HB LEU 12 2.825 -1.928 8.492 105 HB3 LEU 12 1HB LEU 12 2.476 -3.511 7.828 106 HG LEU 12 HG LEU 12 2.149 -0.890 6.367 107 HD11 LEU 12 1HD1 LEU 12 4.455 -1.355 6.692 108 HD12 LEU 12 2HD1 LEU 12 4.048 -1.701 5.011 109 HD13 LEU 12 3HD1 LEU 12 4.252 -3.023 6.163 110 HD21 LEU 12 3HD2 LEU 12 1.852 -3.725 5.395 111 HD22 LEU 12 1HD2 LEU 12 1.783 -2.280 4.385 112 HD23 LEU 12 2HD2 LEU 12 0.547 -2.558 5.616 113 H ASN 13 H ASN 13 0.928 -0.860 10.235 114 HA ASN 13 HA ASN 13 0.561 -0.775 12.447 115 HB2 ASN 13 2HB ASN 13 -1.557 -1.954 11.835 116 HB3 ASN 13 1HB ASN 13 -0.768 -3.475 12.220 117 HD21 ASN 13 1HD2 ASN 13 -1.960 -0.512 13.434 118 HD22 ASN 13 2HD2 ASN 13 -2.088 -0.944 15.095 119 H ASN 14 H ASN 14 2.331 -3.227 11.129 120 HA ASN 14 HA ASN 14 3.253 -4.548 13.503 121 HB2 ASN 14 2HB ASN 14 4.792 -5.700 11.909 122 HB3 ASN 14 1HB ASN 14 3.091 -5.811 11.472 123 HD21 ASN 14 1HD2 ASN 14 3.528 -6.189 9.313 124 HD22 ASN 14 2HD2 ASN 14 4.172 -4.984 8.261 125 H GLY 15 H GLY 15 3.796 -1.572 12.720 126 HA2 GLY 15 2HA GLY 15 5.408 -0.264 13.904 127 HA3 GLY 15 1HA GLY 15 6.539 -1.601 13.727 128 H LYS 16 H LYS 16 5.478 -1.681 10.764 129 HA LYS 16 HA LYS 16 7.026 0.658 9.942 130 HB2 LYS 16 2HB LYS 16 7.894 -0.565 8.014 131 HB3 LYS 16 1HB LYS 16 8.292 -1.439 9.482 132 HG2 LYS 16 2HG LYS 16 6.439 -2.989 9.042 133 HG3 LYS 16 1HG LYS 16 6.071 -2.112 7.561 134 HD2 LYS 16 2HD LYS 16 7.345 -4.094 7.033 135 HD3 LYS 16 1HD LYS 16 8.327 -2.669 6.713 136 HE2 LYS 16 2HE LYS 16 9.587 -4.466 7.832 137 HE3 LYS 16 1HE LYS 16 9.532 -2.984 8.789 138 HZ1 LYS 16 3HZ LYS 16 9.151 -4.983 10.114 139 HZ2 LYS 16 1HZ LYS 16 7.791 -5.356 9.199 140 HZ3 LYS 16 2HZ LYS 16 7.836 -3.969 10.162 141 H TYR 17 H TYR 17 6.390 1.476 7.812 142 HA TYR 17 HA TYR 17 3.609 0.862 7.151 143 HB2 TYR 17 2HB TYR 17 4.719 3.590 7.828 144 HB3 TYR 17 1HB TYR 17 3.285 3.384 6.834 145 HD1 TYR 17 1HD TYR 17 4.659 2.563 10.208 146 HD2 TYR 17 2HD TYR 17 1.199 3.159 7.823 147 HE1 TYR 17 1HE TYR 17 3.245 2.435 12.215 148 HE2 TYR 17 2HE TYR 17 -0.204 3.035 9.825 149 HH TYR 17 HH TYR 17 -0.096 2.059 12.001 150 H VAL 18 H VAL 18 3.098 1.177 5.028 151 HA VAL 18 HA VAL 18 5.402 1.683 3.327 152 HB VAL 18 HB VAL 18 4.418 -0.484 2.820 153 HG11 VAL 18 1HG1 VAL 18 2.110 -0.780 2.170 154 HG12 VAL 18 2HG1 VAL 18 1.830 0.943 2.431 155 HG13 VAL 18 3HG1 VAL 18 2.234 -0.104 3.802 156 HG21 VAL 18 3HG2 VAL 18 3.538 1.496 0.735 157 HG22 VAL 18 1HG2 VAL 18 3.750 -0.238 0.492 158 HG23 VAL 18 2HG2 VAL 18 5.143 0.774 0.875 159 H LYS 19 H LYS 19 5.415 3.295 1.870 160 HA LYS 19 HA LYS 19 3.304 5.270 2.276 161 HB2 LYS 19 2HB LYS 19 5.678 5.842 2.851 162 HB3 LYS 19 1HB LYS 19 6.078 5.655 1.152 163 HG2 LYS 19 2HG LYS 19 4.756 7.530 0.545 164 HG3 LYS 19 1HG LYS 19 4.026 7.611 2.151 165 HD2 LYS 19 2HD LYS 19 6.329 7.988 3.071 166 HD3 LYS 19 1HD LYS 19 6.890 8.166 1.409 167 HE2 LYS 19 2HE LYS 19 5.563 10.104 1.087 168 HE3 LYS 19 1HE LYS 19 4.659 9.810 2.574 169 HZ1 LYS 19 3HZ LYS 19 7.533 10.542 2.403 170 HZ2 LYS 19 1HZ LYS 19 6.702 10.189 3.822 171 HZ3 LYS 19 2HZ LYS 19 6.283 11.538 2.913 172 H VAL 20 H VAL 20 1.913 5.445 0.732 173 HA VAL 20 HA VAL 20 2.697 4.593 -1.946 174 HB VAL 20 HB VAL 20 1.267 2.892 -0.860 175 HG11 VAL 20 1HG1 VAL 20 -1.085 3.339 -0.377 176 HG12 VAL 20 2HG1 VAL 20 -0.807 5.054 -0.681 177 HG13 VAL 20 3HG1 VAL 20 0.010 4.252 0.659 178 HG21 VAL 20 3HG2 VAL 20 1.123 3.079 -3.269 179 HG22 VAL 20 1HG2 VAL 20 -0.097 4.345 -3.128 180 HG23 VAL 20 2HG2 VAL 20 -0.467 2.701 -2.612 181 H ARG 21 H ARG 21 2.118 5.868 -3.543 182 HA ARG 21 HA ARG 21 0.867 8.412 -2.897 183 HB2 ARG 21 2HB ARG 21 2.942 8.430 -4.254 184 HB3 ARG 21 1HB ARG 21 2.137 7.462 -5.479 185 HG2 ARG 21 2HG ARG 21 0.444 9.326 -5.652 186 HG3 ARG 21 1HG ARG 21 1.540 10.298 -4.682 187 HD2 ARG 21 2HD ARG 21 2.128 9.017 -7.357 188 HD3 ARG 21 1HD ARG 21 1.878 10.733 -7.067 189 HE ARG 21 HE ARG 21 3.948 10.530 -5.635 190 HH11 ARG 21 1HH1 ARG 21 3.456 8.474 -8.555 191 HH12 ARG 21 2HH1 ARG 21 5.118 8.313 -8.808 192 HH21 ARG 21 1HH2 ARG 21 6.196 10.292 -6.117 193 HH22 ARG 21 2HH2 ARG 21 6.685 9.389 -7.497 194 H ILE 22 H ILE 22 -1.187 8.596 -3.200 195 HA ILE 22 HA ILE 22 -2.664 6.686 -4.825 196 HB ILE 22 HB ILE 22 -3.663 9.180 -3.445 197 HG12 ILE 22 2HG1 ILE 22 -2.801 7.807 -1.660 198 HG13 ILE 22 1HG1 ILE 22 -4.555 7.648 -1.657 199 HG21 ILE 22 1HG2 ILE 22 -5.179 6.805 -4.533 200 HG22 ILE 22 2HG2 ILE 22 -5.202 8.472 -5.128 201 HG23 ILE 22 3HG2 ILE 22 -5.899 8.090 -3.565 202 HD11 ILE 22 3HD1 ILE 22 -3.465 5.534 -1.231 203 HD12 ILE 22 1HD1 ILE 22 -2.619 5.645 -2.775 204 HD13 ILE 22 2HD1 ILE 22 -4.377 5.492 -2.738 205 H LEU 23 H LEU 23 -2.956 7.101 -6.938 206 HA LEU 23 HA LEU 23 -2.042 9.667 -7.953 207 HB2 LEU 23 2HB LEU 23 -3.105 7.300 -9.489 208 HB3 LEU 23 1HB LEU 23 -2.166 8.635 -10.117 209 HG LEU 23 HG LEU 23 -1.179 6.413 -8.328 210 HD11 LEU 23 1HD1 LEU 23 0.206 5.816 -10.250 211 HD12 LEU 23 2HD1 LEU 23 -0.578 7.079 -11.200 212 HD13 LEU 23 3HD1 LEU 23 -1.515 5.707 -10.608 213 HD21 LEU 23 3HD2 LEU 23 0.319 8.761 -9.468 214 HD22 LEU 23 1HD2 LEU 23 1.038 7.398 -8.611 215 HD23 LEU 23 2HD2 LEU 23 -0.058 8.490 -7.766 216 H LYS 24 H LYS 24 -3.579 11.184 -7.882 217 HA LYS 24 HA LYS 24 -6.347 10.364 -8.263 218 HB2 LYS 24 2HB LYS 24 -5.796 11.952 -6.415 219 HB3 LYS 24 1HB LYS 24 -5.187 13.093 -7.604 220 HG2 LYS 24 2HG LYS 24 -7.445 13.195 -8.609 221 HG3 LYS 24 1HG LYS 24 -8.018 12.124 -7.333 222 HD2 LYS 24 2HD LYS 24 -6.719 14.794 -6.834 223 HD3 LYS 24 1HD LYS 24 -8.467 14.557 -6.931 224 HE2 LYS 24 2HE LYS 24 -6.595 13.287 -4.920 225 HE3 LYS 24 1HE LYS 24 -7.668 14.646 -4.616 226 HZ1 LYS 24 3HZ LYS 24 -8.826 12.826 -3.819 227 HZ2 LYS 24 1HZ LYS 24 -8.444 11.813 -5.124 228 HZ3 LYS 24 2HZ LYS 24 -9.502 13.098 -5.317 229 H SER 25 H SER 25 -6.802 10.103 -10.330 230 HA SER 25 HA SER 25 -5.253 11.598 -12.206 231 HB2 SER 25 2HB SER 25 -7.134 9.300 -12.658 232 HB3 SER 25 1HB SER 25 -6.044 10.017 -13.848 233 HG SER 25 HG SER 25 -4.530 9.504 -11.831 234 H ARG 26 H ARG 26 -6.140 13.535 -11.937 235 HA ARG 26 HA ARG 26 -8.832 14.196 -12.722 236 HB2 ARG 26 2HB ARG 26 -6.283 15.844 -12.697 237 HB3 ARG 26 1HB ARG 26 -7.887 16.505 -12.980 238 HG2 ARG 26 2HG ARG 26 -7.566 14.953 -10.495 239 HG3 ARG 26 1HG ARG 26 -6.674 16.471 -10.569 240 HD2 ARG 26 2HD ARG 26 -8.860 16.782 -9.541 241 HD3 ARG 26 1HD ARG 26 -8.752 17.665 -11.048 242 HE ARG 26 HE ARG 26 -10.026 15.049 -11.195 243 HH11 ARG 26 1HH1 ARG 26 -10.435 18.557 -10.960 244 HH12 ARG 26 2HH1 ARG 26 -12.100 18.527 -11.302 245 HH21 ARG 26 1HH2 ARG 26 -12.310 14.996 -11.637 246 HH22 ARG 26 2HH2 ARG 26 -13.188 16.445 -11.738 247 H ASP 27 H ASP 27 -6.050 13.169 -14.186 248 HA ASP 27 HA ASP 27 -5.968 14.064 -16.813 249 HB2 ASP 27 2HB ASP 27 -5.453 11.247 -15.821 250 HB3 ASP 27 1HB ASP 27 -4.704 12.051 -17.195 251 H ASP 28 H ASP 28 -7.441 11.177 -15.401 252 HA ASP 28 HA ASP 28 -9.090 10.557 -17.658 253 HB2 ASP 28 2HB ASP 28 -9.199 9.587 -14.774 254 HB3 ASP 28 1HB ASP 28 -10.149 8.919 -16.092 255 H ASN 29 H ASN 29 -9.729 11.499 -14.324 256 HA ASN 29 HA ASN 29 -11.301 13.699 -14.703 257 HB2 ASN 29 2HB ASN 29 -13.037 12.265 -15.743 258 HB3 ASN 29 1HB ASN 29 -13.020 11.207 -14.338 259 HD21 ASN 29 1HD2 ASN 29 -15.200 11.568 -13.919 260 HD22 ASN 29 2HD2 ASN 29 -15.793 13.046 -13.280 261 H SER 30 H SER 30 -12.186 10.961 -12.616 262 HA SER 30 HA SER 30 -10.695 12.222 -10.460 263 HB2 SER 30 2HB SER 30 -13.634 11.478 -10.322 264 HB3 SER 30 1HB SER 30 -12.652 11.995 -8.948 265 HG SER 30 HG SER 30 -14.004 13.620 -10.199 266 H VAL 31 H VAL 31 -10.463 9.922 -12.141 267 HA VAL 31 HA VAL 31 -11.032 7.560 -10.586 268 HB VAL 31 HB VAL 31 -9.188 7.884 -12.982 269 HG11 VAL 31 1HG1 VAL 31 -9.395 5.459 -13.254 270 HG12 VAL 31 2HG1 VAL 31 -10.367 5.378 -11.786 271 HG13 VAL 31 3HG1 VAL 31 -8.674 5.873 -11.697 272 HG21 VAL 31 3HG2 VAL 31 -11.473 8.480 -13.556 273 HG22 VAL 31 1HG2 VAL 31 -12.061 6.965 -12.873 274 HG23 VAL 31 2HG2 VAL 31 -11.035 6.948 -14.307 275 H GLU 32 H GLU 32 -9.784 6.851 -8.950 276 HA GLU 32 HA GLU 32 -7.142 8.065 -8.764 277 HB2 GLU 32 2HB GLU 32 -8.815 6.913 -6.535 278 HB3 GLU 32 1HB GLU 32 -7.243 7.695 -6.351 279 HG2 GLU 32 2HG GLU 32 -8.249 9.764 -7.329 280 HG3 GLU 32 1HG GLU 32 -9.786 8.896 -7.313 281 H LYS 33 H LYS 33 -5.578 6.903 -9.277 282 HA LYS 33 HA LYS 33 -5.778 3.968 -9.204 283 HB2 LYS 33 2HB LYS 33 -3.636 5.619 -10.566 284 HB3 LYS 33 1HB LYS 33 -3.994 3.919 -10.812 285 HG2 LYS 33 2HG LYS 33 -6.177 4.611 -11.810 286 HG3 LYS 33 1HG LYS 33 -5.623 6.285 -11.712 287 HD2 LYS 33 2HD LYS 33 -3.612 5.598 -13.049 288 HD3 LYS 33 1HD LYS 33 -4.373 4.024 -13.273 289 HE2 LYS 33 2HE LYS 33 -4.912 5.242 -15.209 290 HE3 LYS 33 1HE LYS 33 -6.361 5.299 -14.202 291 HZ1 LYS 33 3HZ LYS 33 -4.367 7.439 -14.612 292 HZ2 LYS 33 1HZ LYS 33 -5.546 7.543 -13.426 293 HZ3 LYS 33 2HZ LYS 33 -5.986 7.498 -15.038 294 H TYR 34 H TYR 34 -3.289 3.120 -8.832 295 HA TYR 34 HA TYR 34 -2.281 4.672 -6.573 296 HB2 TYR 34 2HB TYR 34 -2.441 1.643 -6.675 297 HB3 TYR 34 1HB TYR 34 -1.838 2.613 -5.335 298 HD1 TYR 34 1HD TYR 34 -3.688 4.529 -4.622 299 HD2 TYR 34 2HD TYR 34 -4.534 0.735 -6.340 300 HE1 TYR 34 1HE TYR 34 -5.976 4.618 -3.682 301 HE2 TYR 34 2HE TYR 34 -6.804 0.819 -5.402 302 HH TYR 34 HH TYR 34 -8.201 3.562 -4.274 303 H VAL 35 H VAL 35 -0.044 4.520 -6.229 304 HA VAL 35 HA VAL 35 1.470 4.315 -8.628 305 HB VAL 35 HB VAL 35 1.910 5.886 -6.696 306 HG11 VAL 35 1HG1 VAL 35 3.102 3.455 -5.403 307 HG12 VAL 35 2HG1 VAL 35 1.728 4.412 -4.842 308 HG13 VAL 35 3HG1 VAL 35 3.345 5.115 -4.857 309 HG21 VAL 35 3HG2 VAL 35 4.262 4.267 -7.660 310 HG22 VAL 35 1HG2 VAL 35 4.365 5.854 -6.900 311 HG23 VAL 35 2HG2 VAL 35 3.552 5.674 -8.454 312 H LEU 36 H LEU 36 3.350 2.869 -8.925 313 HA LEU 36 HA LEU 36 2.579 0.207 -8.170 314 HB2 LEU 36 2HB LEU 36 3.154 0.812 -10.514 315 HB3 LEU 36 1HB LEU 36 4.800 1.107 -10.001 316 HG LEU 36 HG LEU 36 5.062 -1.267 -9.439 317 HD11 LEU 36 1HD1 LEU 36 3.344 -2.888 -10.126 318 HD12 LEU 36 2HD1 LEU 36 2.254 -1.559 -10.520 319 HD13 LEU 36 3HD1 LEU 36 2.765 -1.817 -8.852 320 HD21 LEU 36 3HD2 LEU 36 5.659 -0.492 -11.674 321 HD22 LEU 36 1HD2 LEU 36 4.013 -0.789 -12.226 322 HD23 LEU 36 2HD2 LEU 36 5.029 -2.137 -11.722 323 H THR 37 H THR 37 4.512 2.457 -6.688 324 HA THR 37 HA THR 37 6.403 0.415 -5.919 325 HB THR 37 HB THR 37 7.356 2.723 -6.425 326 HG1 THR 37 1HG THR 37 8.614 1.387 -5.256 327 HG21 THR 37 3HG2 THR 37 6.070 3.420 -3.775 328 HG22 THR 37 1HG2 THR 37 5.674 4.156 -5.333 329 HG23 THR 37 2HG2 THR 37 7.272 4.393 -4.590 330 H SER 38 H SER 38 6.822 -0.149 -3.851 331 HA SER 38 HA SER 38 4.590 0.134 -1.982 332 HB2 SER 38 2HB SER 38 6.370 -2.272 -2.442 333 HB3 SER 38 1HB SER 38 4.959 -2.190 -1.387 334 HG SER 38 HG SER 38 4.048 -1.428 -3.659 335 H HIS 39 H HIS 39 7.038 1.638 -2.362 336 HA HIS 39 HA HIS 39 9.245 1.151 -0.827 337 HB2 HIS 39 2HB HIS 39 8.836 3.160 -2.280 338 HB3 HIS 39 1HB HIS 39 7.866 3.838 -0.979 339 HD1 HIS 39 1HD HIS 39 9.225 4.461 1.276 340 HD2 HIS 39 2HD HIS 39 11.475 3.494 -2.055 341 HE1 HIS 39 1HE HIS 39 11.541 5.197 1.835 342 HE2 HIS 39 2HE HIS 39 12.920 4.204 0.015 343 H VAL 40 H VAL 40 9.453 0.619 1.254 344 HA VAL 40 HA VAL 40 7.354 1.397 3.082 345 HB VAL 40 HB VAL 40 8.475 -0.253 4.690 346 HG11 VAL 40 1HG1 VAL 40 7.330 -2.143 3.621 347 HG12 VAL 40 2HG1 VAL 40 7.184 -1.194 2.139 348 HG13 VAL 40 3HG1 VAL 40 6.367 -0.669 3.614 349 HG21 VAL 40 3HG2 VAL 40 9.701 -1.207 2.101 350 HG22 VAL 40 1HG2 VAL 40 9.765 -2.038 3.651 351 HG23 VAL 40 2HG2 VAL 40 10.596 -0.491 3.447 352 H SER 41 H SER 41 7.729 2.028 5.139 353 HA SER 41 HA SER 41 10.127 3.646 5.504 354 HB2 SER 41 2HB SER 41 7.436 3.938 6.839 355 HB3 SER 41 1HB SER 41 8.727 5.140 6.717 356 HG SER 41 HG SER 41 7.040 4.141 4.713 357 H LYS 42 H LYS 42 11.337 2.956 7.149 358 HA LYS 42 HA LYS 42 10.528 0.664 8.694 359 HB2 LYS 42 2HB LYS 42 13.074 2.263 8.540 360 HB3 LYS 42 1HB LYS 42 12.878 0.886 9.618 361 HG2 LYS 42 2HG LYS 42 12.639 -0.629 7.833 362 HG3 LYS 42 1HG LYS 42 12.365 0.660 6.669 363 HD2 LYS 42 2HD LYS 42 14.964 0.265 8.137 364 HD3 LYS 42 1HD LYS 42 14.628 -0.436 6.550 365 HE2 LYS 42 2HE LYS 42 14.182 1.865 5.702 366 HE3 LYS 42 1HE LYS 42 14.673 2.495 7.270 367 HZ1 LYS 42 3HZ LYS 42 16.379 2.539 5.535 368 HZ2 LYS 42 1HZ LYS 42 16.396 0.864 5.504 369 HZ3 LYS 42 2HZ LYS 42 16.883 1.688 6.914 370 H ASN 43 H ASN 43 10.328 3.987 9.031 371 HA ASN 43 HA ASN 43 9.923 3.834 11.889 372 HB2 ASN 43 2HB ASN 43 10.182 6.320 11.745 373 HB3 ASN 43 1HB ASN 43 11.644 5.403 11.354 374 HD21 ASN 43 1HD2 ASN 43 12.430 5.464 9.299 375 HD22 ASN 43 2HD2 ASN 43 11.883 6.574 8.091 376 H ARG 44 H ARG 44 8.098 5.183 12.614 377 HA ARG 44 HA ARG 44 5.848 4.885 10.786 378 HB2 ARG 44 2HB ARG 44 5.893 5.622 13.718 379 HB3 ARG 44 1HB ARG 44 4.452 5.386 12.758 380 HG2 ARG 44 2HG ARG 44 5.245 3.009 12.389 381 HG3 ARG 44 1HG ARG 44 6.456 3.334 13.632 382 HD2 ARG 44 2HD ARG 44 4.681 3.952 15.212 383 HD3 ARG 44 1HD ARG 44 3.465 3.613 13.990 384 HE ARG 44 HE ARG 44 5.294 1.568 15.012 385 HH11 ARG 44 1HH1 ARG 44 1.974 2.527 14.063 386 HH12 ARG 44 2HH1 ARG 44 1.236 1.188 14.762 387 HH21 ARG 44 1HH2 ARG 44 4.196 -0.350 15.943 388 HH22 ARG 44 2HH2 ARG 44 2.501 -0.493 15.817 389 HA PRO 45 HA PRO 45 5.698 9.318 10.038 390 HB2 PRO 45 2HB PRO 45 3.129 9.486 9.207 391 HB3 PRO 45 1HB PRO 45 4.394 8.858 8.161 392 HG2 PRO 45 2HG PRO 45 2.350 7.398 9.778 393 HG3 PRO 45 1HG PRO 45 2.963 7.040 8.152 394 HD2 PRO 45 2HD PRO 45 3.778 5.713 10.377 395 HD3 PRO 45 1HD PRO 45 4.818 5.950 8.952 396 H LYS 46 H LYS 46 4.528 11.171 10.813 397 HA LYS 46 HA LYS 46 3.148 10.674 13.363 398 HB2 LYS 46 2HB LYS 46 4.377 13.231 12.316 399 HB3 LYS 46 1HB LYS 46 3.668 13.018 13.903 400 HG2 LYS 46 2HG LYS 46 6.160 11.676 12.872 401 HG3 LYS 46 1HG LYS 46 6.090 13.041 13.986 402 HD2 LYS 46 2HD LYS 46 4.873 11.610 15.596 403 HD3 LYS 46 1HD LYS 46 5.072 10.247 14.488 404 HE2 LYS 46 2HE LYS 46 7.502 10.502 14.619 405 HE3 LYS 46 1HE LYS 46 7.297 11.849 15.733 406 HZ1 LYS 46 3HZ LYS 46 6.253 10.361 17.296 407 HZ2 LYS 46 1HZ LYS 46 7.798 9.824 16.915 408 HZ3 LYS 46 2HZ LYS 46 6.470 9.036 16.259 409 H ASN 47 H ASN 47 3.114 13.238 10.911 410 HA ASN 47 HA ASN 47 0.208 13.198 11.042 411 HB2 ASN 47 2HB ASN 47 1.110 15.391 11.525 412 HB3 ASN 47 1HB ASN 47 2.072 15.365 10.051 413 HD21 ASN 47 1HD2 ASN 47 1.095 17.304 9.444 414 HD22 ASN 47 2HD2 ASN 47 -0.499 17.393 8.799 415 H ALA 48 H ALA 48 -0.165 11.548 9.813 416 HA ALA 48 HA ALA 48 -0.343 12.112 7.036 417 HB1 ALA 48 1HB ALA 48 0.650 9.989 6.348 418 HB2 ALA 48 2HB ALA 48 1.139 9.665 8.011 419 HB3 ALA 48 3HB ALA 48 1.855 11.014 7.126 420 H ILE 49 H ILE 49 -1.896 10.648 6.110 421 HA ILE 49 HA ILE 49 -3.691 9.554 8.125 422 HB ILE 49 HB ILE 49 -4.074 9.995 5.141 423 HG12 ILE 49 2HG1 ILE 49 -3.896 12.112 6.363 424 HG13 ILE 49 1HG1 ILE 49 -5.534 11.867 5.787 425 HG21 ILE 49 1HG2 ILE 49 -5.471 8.163 5.912 426 HG22 ILE 49 2HG2 ILE 49 -6.463 9.574 5.541 427 HG23 ILE 49 3HG2 ILE 49 -6.100 9.168 7.219 428 HD11 ILE 49 3HD1 ILE 49 -5.541 12.801 8.016 429 HD12 ILE 49 1HD1 ILE 49 -4.554 11.466 8.611 430 HD13 ILE 49 2HD1 ILE 49 -6.199 11.170 8.050 431 H VAL 50 H VAL 50 -4.048 7.376 8.319 432 HA VAL 50 HA VAL 50 -2.489 5.754 6.483 433 HB VAL 50 HB VAL 50 -2.235 4.065 8.268 434 HG11 VAL 50 1HG1 VAL 50 -0.581 5.317 9.598 435 HG12 VAL 50 2HG1 VAL 50 -1.236 6.820 8.938 436 HG13 VAL 50 3HG1 VAL 50 -0.469 5.643 7.870 437 HG21 VAL 50 3HG2 VAL 50 -3.424 6.177 10.062 438 HG22 VAL 50 1HG2 VAL 50 -2.684 4.669 10.590 439 HG23 VAL 50 2HG2 VAL 50 -4.180 4.635 9.645 440 H ILE 51 H ILE 51 -3.315 4.123 5.531 441 HA ILE 51 HA ILE 51 -6.167 3.471 5.963 442 HB ILE 51 HB ILE 51 -4.457 3.152 3.466 443 HG12 ILE 51 2HG1 ILE 51 -6.702 5.124 3.991 444 HG13 ILE 51 1HG1 ILE 51 -4.991 5.522 3.946 445 HG21 ILE 51 1HG2 ILE 51 -7.399 2.670 3.889 446 HG22 ILE 51 2HG2 ILE 51 -6.155 1.444 3.635 447 HG23 ILE 51 3HG2 ILE 51 -6.557 2.572 2.340 448 HD11 ILE 51 3HD1 ILE 51 -6.090 6.146 1.869 449 HD12 ILE 51 1HD1 ILE 51 -6.626 4.483 1.638 450 HD13 ILE 51 2HD1 ILE 51 -4.910 4.869 1.579 451 H LYS 52 H LYS 52 -6.467 1.335 6.680 452 HA LYS 52 HA LYS 52 -4.025 -0.177 7.054 453 HB2 LYS 52 2HB LYS 52 -5.861 0.169 8.819 454 HB3 LYS 52 1HB LYS 52 -6.796 -0.996 7.903 455 HG2 LYS 52 2HG LYS 52 -5.214 -2.726 8.344 456 HG3 LYS 52 1HG LYS 52 -4.087 -1.572 9.072 457 HD2 LYS 52 2HD LYS 52 -5.888 -1.053 10.756 458 HD3 LYS 52 1HD LYS 52 -6.784 -2.423 10.110 459 HE2 LYS 52 2HE LYS 52 -4.996 -3.928 10.717 460 HE3 LYS 52 1HE LYS 52 -3.989 -2.577 11.237 461 HZ1 LYS 52 3HZ LYS 52 -6.551 -3.421 12.475 462 HZ2 LYS 52 1HZ LYS 52 -5.660 -2.069 12.925 463 HZ3 LYS 52 2HZ LYS 52 -5.028 -3.616 13.144 464 H MET 53 H MET 53 -3.919 -2.455 6.556 465 HA MET 53 HA MET 53 -3.825 -3.043 3.897 466 HB2 MET 53 2HB MET 53 -4.285 -5.007 6.137 467 HB3 MET 53 1HB MET 53 -3.841 -5.463 4.509 468 HG2 MET 53 2HG MET 53 -1.712 -4.280 4.763 469 HG3 MET 53 1HG MET 53 -2.173 -3.813 6.400 470 HE1 MET 53 3HE MET 53 0.151 -4.950 7.289 471 HE2 MET 53 1HE MET 53 0.538 -5.437 5.637 472 HE3 MET 53 2HE MET 53 0.589 -6.620 6.942 473 H ASP 54 H ASP 54 -6.447 -3.682 6.023 474 HA ASP 54 HA ASP 54 -7.998 -5.402 4.447 475 HB2 ASP 54 2HB ASP 54 -8.430 -5.268 6.776 476 HB3 ASP 54 1HB ASP 54 -8.786 -3.551 6.683 477 H ASN 55 H ASN 55 -7.765 -1.939 4.250 478 HA ASN 55 HA ASN 55 -10.255 -1.642 2.814 479 HB2 ASN 55 2HB ASN 55 -9.490 0.219 4.168 480 HB3 ASN 55 1HB ASN 55 -7.982 0.293 3.269 481 HD21 ASN 55 1HD2 ASN 55 -7.963 1.271 1.234 482 HD22 ASN 55 2HD2 ASN 55 -9.259 2.192 0.612 483 H LEU 56 H LEU 56 -6.982 -2.266 1.963 484 HA LEU 56 HA LEU 56 -7.069 -1.053 -0.592 485 HB2 LEU 56 2HB LEU 56 -5.080 -2.956 0.610 486 HB3 LEU 56 1HB LEU 56 -4.928 -2.322 -1.011 487 HG LEU 56 HG LEU 56 -3.483 -1.074 0.381 488 HD11 LEU 56 1HD1 LEU 56 -4.280 1.196 0.148 489 HD12 LEU 56 2HD1 LEU 56 -5.917 0.613 -0.110 490 HD13 LEU 56 3HD1 LEU 56 -4.656 0.237 -1.286 491 HD21 LEU 56 3HD2 LEU 56 -5.835 -0.582 2.193 492 HD22 LEU 56 1HD2 LEU 56 -4.244 0.149 2.376 493 HD23 LEU 56 2HD2 LEU 56 -4.432 -1.592 2.539 494 HA PRO 57 HA PRO 57 -8.952 -4.142 -3.155 495 HB2 PRO 57 2HB PRO 57 -6.970 -3.174 -5.161 496 HB3 PRO 57 1HB PRO 57 -8.722 -3.312 -5.306 497 HG2 PRO 57 2HG PRO 57 -7.624 -0.955 -5.003 498 HG3 PRO 57 1HG PRO 57 -9.108 -1.364 -4.122 499 HD2 PRO 57 2HD PRO 57 -6.287 -1.271 -3.132 500 HD3 PRO 57 1HD PRO 57 -7.784 -0.701 -2.360 501 H ILE 58 H ILE 58 -8.344 -6.055 -4.412 502 HA ILE 58 HA ILE 58 -6.348 -7.495 -3.144 503 HB ILE 58 HB ILE 58 -6.715 -9.297 -4.904 504 HG12 ILE 58 2HG1 ILE 58 -8.978 -9.052 -6.115 505 HG13 ILE 58 1HG1 ILE 58 -8.832 -7.333 -5.815 506 HG21 ILE 58 1HG2 ILE 58 -9.023 -8.319 -3.255 507 HG22 ILE 58 2HG2 ILE 58 -7.729 -9.407 -2.754 508 HG23 ILE 58 3HG2 ILE 58 -8.897 -9.925 -3.970 509 HD11 ILE 58 3HD1 ILE 58 -8.145 -7.864 -8.066 510 HD12 ILE 58 1HD1 ILE 58 -6.964 -9.027 -7.456 511 HD13 ILE 58 2HD1 ILE 58 -6.756 -7.309 -7.130 512 H GLU 59 H GLU 59 -6.100 -5.721 -6.119 513 HA GLU 59 HA GLU 59 -3.678 -6.790 -7.041 514 HB2 GLU 59 2HB GLU 59 -4.996 -4.124 -7.369 515 HB3 GLU 59 1HB GLU 59 -3.391 -4.418 -8.015 516 HG2 GLU 59 2HG GLU 59 -5.859 -5.986 -8.686 517 HG3 GLU 59 1HG GLU 59 -5.099 -4.751 -9.697 518 H VAL 60 H VAL 60 -4.375 -4.275 -4.752 519 HA VAL 60 HA VAL 60 -1.678 -3.394 -4.547 520 HB VAL 60 HB VAL 60 -3.973 -2.883 -2.650 521 HG11 VAL 60 1HG1 VAL 60 -1.408 -1.358 -3.105 522 HG12 VAL 60 2HG1 VAL 60 -1.818 -2.323 -1.683 523 HG13 VAL 60 3HG1 VAL 60 -2.719 -0.848 -2.042 524 HG21 VAL 60 3HG2 VAL 60 -3.101 -1.284 -5.054 525 HG22 VAL 60 1HG2 VAL 60 -4.315 -0.775 -3.882 526 HG23 VAL 60 2HG2 VAL 60 -4.601 -2.195 -4.886 527 H LYS 61 H LYS 61 -3.828 -5.309 -2.462 528 HA LYS 61 HA LYS 61 -1.917 -5.775 -0.451 529 HB2 LYS 61 2HB LYS 61 -4.305 -7.458 -1.231 530 HB3 LYS 61 1HB LYS 61 -3.371 -7.690 0.245 531 HG2 LYS 61 2HG LYS 61 -3.970 -5.374 0.915 532 HG3 LYS 61 1HG LYS 61 -4.995 -5.265 -0.510 533 HD2 LYS 61 2HD LYS 61 -5.316 -7.270 1.732 534 HD3 LYS 61 1HD LYS 61 -6.264 -5.802 1.537 535 HE2 LYS 61 2HE LYS 61 -7.065 -6.676 -0.650 536 HE3 LYS 61 1HE LYS 61 -6.184 -8.170 -0.338 537 HZ1 LYS 61 3HZ LYS 61 -7.563 -8.455 1.697 538 HZ2 LYS 61 1HZ LYS 61 -8.501 -8.405 0.289 539 HZ3 LYS 61 2HZ LYS 61 -8.407 -7.069 1.278 540 H ASP 62 H ASP 62 -2.541 -7.418 -3.448 541 HA ASP 62 HA ASP 62 -0.924 -9.690 -3.091 542 HB2 ASP 62 2HB ASP 62 -2.521 -9.552 -4.928 543 HB3 ASP 62 1HB ASP 62 -1.685 -8.157 -5.590 544 H LYS 63 H LYS 63 -0.231 -6.607 -4.708 545 HA LYS 63 HA LYS 63 2.457 -7.250 -5.167 546 HB2 LYS 63 2HB LYS 63 0.936 -4.666 -5.384 547 HB3 LYS 63 1HB LYS 63 2.617 -4.856 -5.895 548 HG2 LYS 63 2HG LYS 63 1.986 -6.574 -7.475 549 HG3 LYS 63 1HG LYS 63 0.334 -6.527 -6.902 550 HD2 LYS 63 2HD LYS 63 -0.037 -4.360 -7.809 551 HD3 LYS 63 1HD LYS 63 1.683 -4.140 -8.137 552 HE2 LYS 63 2HE LYS 63 0.379 -4.678 -10.170 553 HE3 LYS 63 1HE LYS 63 1.650 -5.843 -9.826 554 HZ1 LYS 63 3HZ LYS 63 -0.165 -7.295 -8.834 555 HZ2 LYS 63 1HZ LYS 63 -0.232 -7.033 -10.478 556 HZ3 LYS 63 2HZ LYS 63 -1.310 -6.236 -9.524 557 H LEU 64 H LEU 64 0.907 -5.434 -2.568 558 HA LEU 64 HA LEU 64 3.245 -4.403 -1.371 559 HB2 LEU 64 2HB LEU 64 0.699 -5.319 -0.025 560 HB3 LEU 64 1HB LEU 64 1.951 -4.378 0.747 561 HG LEU 64 HG LEU 64 0.147 -3.480 -1.491 562 HD11 LEU 64 1HD1 LEU 64 0.336 -2.658 1.400 563 HD12 LEU 64 2HD1 LEU 64 -0.955 -3.597 0.658 564 HD13 LEU 64 3HD1 LEU 64 -0.711 -1.914 0.191 565 HD21 LEU 64 3HD2 LEU 64 2.264 -1.905 -0.034 566 HD22 LEU 64 1HD2 LEU 64 1.197 -1.304 -1.295 567 HD23 LEU 64 2HD2 LEU 64 2.425 -2.512 -1.685 568 H THR 65 H THR 65 1.613 -7.484 -1.054 569 HA THR 65 HA THR 65 3.173 -8.546 0.953 570 HB THR 65 HB THR 65 1.716 -9.930 -1.310 571 HG1 THR 65 1HG THR 65 0.221 -9.061 -0.027 572 HG21 THR 65 3HG2 THR 65 3.461 -11.428 -0.450 573 HG22 THR 65 1HG2 THR 65 1.867 -11.995 0.047 574 HG23 THR 65 2HG2 THR 65 2.904 -11.147 1.198 575 H ARG 66 H ARG 66 3.548 -8.694 -2.535 576 HA ARG 66 HA ARG 66 5.753 -10.435 -2.607 577 HB2 ARG 66 2HB ARG 66 4.940 -8.374 -4.631 578 HB3 ARG 66 1HB ARG 66 6.008 -9.744 -4.914 579 HG2 ARG 66 2HG ARG 66 4.178 -11.266 -4.392 580 HG3 ARG 66 1HG ARG 66 3.116 -9.884 -4.127 581 HD2 ARG 66 2HD ARG 66 3.521 -9.183 -6.450 582 HD3 ARG 66 1HD ARG 66 4.466 -10.649 -6.710 583 HE ARG 66 HE ARG 66 1.606 -10.419 -6.275 584 HH11 ARG 66 1HH1 ARG 66 4.387 -12.505 -6.939 585 HH12 ARG 66 2HH1 ARG 66 3.458 -13.843 -7.414 586 HH21 ARG 66 1HH2 ARG 66 0.336 -12.236 -6.763 587 HH22 ARG 66 2HH2 ARG 66 1.033 -13.712 -7.269 588 H PHE 67 H PHE 67 5.592 -6.925 -2.443 589 HA PHE 67 HA PHE 67 8.376 -6.635 -3.012 590 HB2 PHE 67 2HB PHE 67 6.698 -4.880 -3.543 591 HB3 PHE 67 1HB PHE 67 6.485 -4.604 -1.823 592 HD1 PHE 67 2HD PHE 67 8.695 -4.137 -4.698 593 HD2 PHE 67 1HD PHE 67 8.220 -3.410 -0.518 594 HE1 PHE 67 2HE PHE 67 10.517 -2.487 -4.764 595 HE2 PHE 67 1HE PHE 67 10.019 -1.775 -0.590 596 HZ PHE 67 HZ PHE 67 11.182 -1.301 -2.710 597 H PHE 68 H PHE 68 6.478 -6.179 -0.010 598 HA PHE 68 HA PHE 68 9.077 -6.348 1.342 599 HB2 PHE 68 2HB PHE 68 8.259 -4.773 3.056 600 HB3 PHE 68 1HB PHE 68 8.378 -4.071 1.453 601 HD1 PHE 68 1HD PHE 68 6.109 -5.152 4.115 602 HD2 PHE 68 2HD PHE 68 6.383 -3.373 0.258 603 HE1 PHE 68 1HE PHE 68 3.787 -4.392 4.298 604 HE2 PHE 68 2HE PHE 68 4.071 -2.618 0.444 605 HZ PHE 68 HZ PHE 68 2.762 -3.131 2.456 606 H LEU 69 H LEU 69 5.676 -7.244 1.660 607 HA LEU 69 HA LEU 69 5.956 -7.925 4.406 608 HB2 LEU 69 2HB LEU 69 3.849 -7.187 3.082 609 HB3 LEU 69 1HB LEU 69 3.789 -8.887 2.635 610 HG LEU 69 HG LEU 69 3.649 -9.516 4.948 611 HD11 LEU 69 1HD1 LEU 69 3.407 -6.543 5.459 612 HD12 LEU 69 2HD1 LEU 69 4.710 -7.591 6.020 613 HD13 LEU 69 3HD1 LEU 69 3.080 -7.799 6.648 614 HD21 LEU 69 3HD2 LEU 69 1.314 -8.795 5.283 615 HD22 LEU 69 1HD2 LEU 69 1.631 -9.303 3.624 616 HD23 LEU 69 2HD2 LEU 69 1.530 -7.586 4.018 617 H LEU 70 H LEU 70 6.427 -9.677 1.468 618 HA LEU 70 HA LEU 70 6.335 -12.259 2.654 619 HB2 LEU 70 2HB LEU 70 5.651 -11.851 0.388 620 HB3 LEU 70 1HB LEU 70 7.208 -11.162 0.004 621 HG LEU 70 HG LEU 70 8.229 -13.343 0.337 622 HD11 LEU 70 1HD1 LEU 70 6.617 -14.285 1.886 623 HD12 LEU 70 2HD1 LEU 70 6.764 -15.336 0.471 624 HD13 LEU 70 3HD1 LEU 70 5.369 -14.259 0.645 625 HD21 LEU 70 3HD2 LEU 70 7.544 -12.541 -1.843 626 HD22 LEU 70 1HD2 LEU 70 5.952 -13.251 -1.623 627 HD23 LEU 70 2HD2 LEU 70 7.374 -14.303 -1.753 628 H GLU 71 H GLU 71 8.744 -9.827 1.917 629 HA GLU 71 HA GLU 71 10.907 -11.770 2.360 630 HB2 GLU 71 2HB GLU 71 10.916 -10.515 0.239 631 HB3 GLU 71 1HB GLU 71 11.027 -9.016 1.145 632 HG2 GLU 71 2HG GLU 71 13.190 -9.665 0.255 633 HG3 GLU 71 1HG GLU 71 13.202 -9.700 2.019 634 H HIS 72 H HIS 72 10.161 -8.391 3.177 635 HA HIS 72 HA HIS 72 12.060 -8.576 5.401 636 HB2 HIS 72 2HB HIS 72 12.270 -6.785 3.572 637 HB3 HIS 72 1HB HIS 72 10.796 -6.088 4.221 638 HD1 HIS 72 1HD HIS 72 14.435 -6.548 4.980 639 HD2 HIS 72 2HD HIS 72 11.138 -4.604 6.580 640 HE1 HIS 72 1HE HIS 72 15.349 -5.016 6.728 641 HE2 HIS 72 2HE HIS 72 13.303 -4.209 7.921 642 H HIS 73 H HIS 73 9.829 -9.928 5.809 643 HA HIS 73 HA HIS 73 7.734 -8.402 6.996 644 HB2 HIS 73 2HB HIS 73 7.296 -10.622 5.986 645 HB3 HIS 73 1HB HIS 73 8.319 -11.372 7.196 646 HD1 HIS 73 1HD HIS 73 7.115 -12.158 9.320 647 HD2 HIS 73 2HD HIS 73 4.834 -9.497 7.083 648 HE1 HIS 73 1HE HIS 73 4.884 -12.120 10.407 649 HE2 HIS 73 2HE HIS 73 3.461 -10.728 8.890 650 H HIS 74 H HIS 74 9.586 -10.998 8.603 651 HA HIS 74 HA HIS 74 10.850 -9.544 10.609 652 HB2 HIS 74 2HB HIS 74 8.328 -8.932 10.994 653 HB3 HIS 74 1HB HIS 74 8.201 -10.550 11.654 654 HD1 HIS 74 1HD HIS 74 9.043 -7.135 12.502 655 HD2 HIS 74 2HD HIS 74 9.866 -10.873 14.057 656 HE1 HIS 74 1HE HIS 74 9.732 -6.724 14.873 657 HE2 HIS 74 2HE HIS 74 9.739 -9.008 15.846 658 H HIS 75 H HIS 75 11.121 -12.043 9.045 659 HA HIS 75 HA HIS 75 10.481 -14.212 10.758 660 HB2 HIS 75 2HB HIS 75 11.765 -15.734 9.280 661 HB3 HIS 75 1HB HIS 75 10.714 -14.708 8.339 662 HD1 HIS 75 1HD HIS 75 11.815 -13.461 6.421 663 HD2 HIS 75 2HD HIS 75 14.577 -15.125 9.028 664 HE1 HIS 75 1HE HIS 75 14.033 -13.236 5.292 665 HE2 HIS 75 2HE HIS 75 15.691 -14.019 7.008 666 H HIS 76 H HIS 76 11.145 -14.348 12.614 667 HA HIS 76 HA HIS 76 13.673 -14.852 13.585 668 HB2 HIS 76 2HB HIS 76 14.156 -12.468 12.777 669 HB3 HIS 76 1HB HIS 76 12.945 -11.905 13.912 670 HD1 HIS 76 1HD HIS 76 14.103 -10.855 15.873 671 HD2 HIS 76 2HD HIS 76 16.185 -14.165 14.441 672 HE1 HIS 76 1HE HIS 76 16.136 -11.042 17.300 673 HE2 HIS 76 2HE HIS 76 17.232 -13.176 16.579 674 H HIS 77 H HIS 77 10.567 -13.272 13.900 675 HA HIS 77 HA HIS 77 10.251 -14.396 16.589 676 HB2 HIS 77 2HB HIS 77 10.365 -11.854 16.516 677 HB3 HIS 77 1HB HIS 77 8.954 -11.898 15.477 678 HD1 HIS 77 1HD HIS 77 9.965 -11.939 18.988 679 HD2 HIS 77 2HD HIS 77 6.536 -12.713 16.810 680 HE1 HIS 77 1HE HIS 77 8.091 -11.885 20.653 681 HE2 HIS 77 2HE HIS 77 6.097 -12.666 19.343 Start of MODEL 4 1 H1 MET 1 1HT MET 1 -4.923 7.288 -15.269 2 H2 MET 1 2HT MET 1 -6.526 7.684 -15.122 3 H3 MET 1 3HT MET 1 -5.510 7.869 -13.796 4 HA MET 1 HA MET 1 -5.425 9.376 -16.346 5 HB2 MET 1 2HB MET 1 -7.258 10.015 -14.756 6 HB3 MET 1 1HB MET 1 -6.036 10.327 -13.542 7 HG2 MET 1 2HG MET 1 -5.093 12.102 -14.889 8 HG3 MET 1 1HG MET 1 -6.253 11.767 -16.172 9 HE1 MET 1 2HE MET 1 -6.834 14.368 -16.139 10 HE2 MET 1 3HE MET 1 -5.736 14.646 -14.787 11 HE3 MET 1 1HE MET 1 -7.399 15.223 -14.701 12 H LEU 2 H LEU 2 -3.799 8.563 -13.300 13 HA LEU 2 HA LEU 2 -1.700 8.765 -12.596 14 HB2 LEU 2 2HB LEU 2 -1.175 7.859 -14.872 15 HB3 LEU 2 1HB LEU 2 -1.052 9.496 -15.471 16 HG LEU 2 HG LEU 2 0.884 9.848 -13.921 17 HD11 LEU 2 1HD1 LEU 2 1.989 7.898 -12.962 18 HD12 LEU 2 2HD1 LEU 2 0.632 6.886 -13.464 19 HD13 LEU 2 3HD1 LEU 2 0.388 8.157 -12.268 20 HD21 LEU 2 3HD2 LEU 2 2.484 8.554 -15.259 21 HD22 LEU 2 1HD2 LEU 2 1.255 9.322 -16.264 22 HD23 LEU 2 2HD2 LEU 2 1.153 7.597 -15.912 23 H LYS 3 H LYS 3 -3.514 10.985 -12.552 24 HA LYS 3 HA LYS 3 -1.581 13.169 -12.305 25 HB2 LYS 3 2HB LYS 3 -3.119 13.314 -14.368 26 HB3 LYS 3 1HB LYS 3 -4.436 13.526 -13.229 27 HG2 LYS 3 2HG LYS 3 -3.772 15.674 -14.050 28 HG3 LYS 3 1HG LYS 3 -3.274 15.551 -12.360 29 HD2 LYS 3 2HD LYS 3 -1.000 15.075 -13.012 30 HD3 LYS 3 1HD LYS 3 -1.462 15.013 -14.713 31 HE2 LYS 3 2HE LYS 3 -2.128 17.392 -14.557 32 HE3 LYS 3 1HE LYS 3 -1.536 17.427 -12.900 33 HZ1 LYS 3 3HZ LYS 3 0.678 16.864 -13.737 34 HZ2 LYS 3 1HZ LYS 3 0.095 18.282 -14.447 35 HZ3 LYS 3 2HZ LYS 3 0.090 16.825 -15.299 36 H HIS 4 H HIS 4 -1.985 14.431 -10.480 37 HA HIS 4 HA HIS 4 -2.683 14.991 -8.425 38 HB2 HIS 4 2HB HIS 4 -5.207 13.383 -8.951 39 HB3 HIS 4 1HB HIS 4 -4.946 14.424 -7.573 40 HD1 HIS 4 1HD HIS 4 -5.516 16.900 -7.897 41 HD2 HIS 4 2HD HIS 4 -5.691 14.691 -11.407 42 HE1 HIS 4 1HE HIS 4 -6.645 18.378 -9.566 43 HE2 HIS 4 2HE HIS 4 -7.164 16.761 -11.432 44 H GLY 5 H GLY 5 -1.210 14.003 -7.211 45 HA2 GLY 5 2HA GLY 5 -1.896 11.322 -6.284 46 HA3 GLY 5 1HA GLY 5 -0.296 11.619 -6.949 47 H LYS 6 H LYS 6 -2.075 11.483 -4.215 48 HA LYS 6 HA LYS 6 -0.348 13.299 -2.665 49 HB2 LYS 6 2HB LYS 6 -2.773 11.668 -1.873 50 HB3 LYS 6 1HB LYS 6 -1.838 12.638 -0.756 51 HG2 LYS 6 2HG LYS 6 -3.304 13.726 -3.148 52 HG3 LYS 6 1HG LYS 6 -3.952 13.683 -1.508 53 HD2 LYS 6 2HD LYS 6 -1.997 15.071 -0.783 54 HD3 LYS 6 1HD LYS 6 -1.527 15.208 -2.481 55 HE2 LYS 6 2HE LYS 6 -3.657 16.247 -3.010 56 HE3 LYS 6 1HE LYS 6 -4.177 16.053 -1.340 57 HZ1 LYS 6 3HZ LYS 6 -3.476 18.281 -1.750 58 HZ2 LYS 6 1HZ LYS 6 -1.970 17.786 -2.307 59 HZ3 LYS 6 2HZ LYS 6 -2.364 17.582 -0.690 60 H TYR 7 H TYR 7 0.751 12.401 -0.758 61 HA TYR 7 HA TYR 7 1.241 9.531 -1.058 62 HB2 TYR 7 2HB TYR 7 3.149 11.720 -0.274 63 HB3 TYR 7 1HB TYR 7 3.443 10.042 0.157 64 HD1 TYR 7 2HD TYR 7 3.148 12.408 -2.643 65 HD2 TYR 7 1HD TYR 7 4.138 8.448 -1.476 66 HE1 TYR 7 2HE TYR 7 4.150 12.009 -4.849 67 HE2 TYR 7 1HE TYR 7 5.148 8.033 -3.658 68 HH TYR 7 HH TYR 7 5.083 8.864 -5.946 69 H VAL 8 H VAL 8 0.389 8.399 0.409 70 HA VAL 8 HA VAL 8 0.346 9.399 3.147 71 HB VAL 8 HB VAL 8 -1.820 8.407 3.579 72 HG11 VAL 8 1HG1 VAL 8 -1.955 10.124 1.124 73 HG12 VAL 8 2HG1 VAL 8 -1.969 10.657 2.806 74 HG13 VAL 8 3HG1 VAL 8 -3.325 9.735 2.159 75 HG21 VAL 8 3HG2 VAL 8 -1.854 7.529 0.708 76 HG22 VAL 8 1HG2 VAL 8 -3.206 7.383 1.829 77 HG23 VAL 8 2HG2 VAL 8 -1.716 6.479 2.119 78 H TYR 9 H TYR 9 -0.451 7.134 4.455 79 HA TYR 9 HA TYR 9 1.476 5.156 3.508 80 HB2 TYR 9 2HB TYR 9 1.184 6.185 6.325 81 HB3 TYR 9 1HB TYR 9 2.099 4.748 5.879 82 HD1 TYR 9 2HD TYR 9 1.950 8.405 5.650 83 HD2 TYR 9 1HD TYR 9 4.263 4.936 4.839 84 HE1 TYR 9 2HE TYR 9 3.897 9.819 5.223 85 HE2 TYR 9 1HE TYR 9 6.224 6.347 4.405 86 HH TYR 9 HH TYR 9 6.412 9.528 5.314 87 H ILE 10 H ILE 10 0.976 3.095 3.886 88 HA ILE 10 HA ILE 10 -1.782 2.626 4.665 89 HB ILE 10 HB ILE 10 0.248 0.708 3.495 90 HG12 ILE 10 2HG1 ILE 10 -0.360 2.286 1.823 91 HG13 ILE 10 1HG1 ILE 10 -1.256 0.810 1.475 92 HG21 ILE 10 1HG2 ILE 10 -1.309 -0.536 4.858 93 HG22 ILE 10 2HG2 ILE 10 -1.597 -0.861 3.148 94 HG23 ILE 10 3HG2 ILE 10 -2.669 0.222 4.031 95 HD11 ILE 10 3HD1 ILE 10 -2.292 3.370 2.661 96 HD12 ILE 10 1HD1 ILE 10 -3.215 1.866 2.650 97 HD13 ILE 10 2HD1 ILE 10 -2.737 2.614 1.131 98 H ASP 11 H ASP 11 -2.390 1.749 6.461 99 HA ASP 11 HA ASP 11 -0.486 1.528 8.582 100 HB2 ASP 11 2HB ASP 11 -2.647 2.554 9.070 101 HB3 ASP 11 1HB ASP 11 -3.483 1.077 8.619 102 H LEU 12 H LEU 12 0.745 -0.079 7.874 103 HA LEU 12 HA LEU 12 -0.122 -2.811 7.736 104 HB2 LEU 12 2HB LEU 12 2.636 -1.760 8.394 105 HB3 LEU 12 1HB LEU 12 2.234 -3.317 7.701 106 HG LEU 12 HG LEU 12 1.960 -0.655 6.313 107 HD11 LEU 12 1HD1 LEU 12 4.251 -1.218 6.601 108 HD12 LEU 12 2HD1 LEU 12 3.797 -1.470 4.914 109 HD13 LEU 12 3HD1 LEU 12 3.980 -2.852 5.994 110 HD21 LEU 12 3HD2 LEU 12 1.517 -3.460 5.292 111 HD22 LEU 12 1HD2 LEU 12 1.556 -2.005 4.295 112 HD23 LEU 12 2HD2 LEU 12 0.300 -2.206 5.511 113 H ASN 13 H ASN 13 1.328 -0.636 9.980 114 HA ASN 13 HA ASN 13 1.149 -0.261 12.174 115 HB2 ASN 13 2HB ASN 13 -1.257 -1.085 11.732 116 HB3 ASN 13 1HB ASN 13 -0.743 -2.577 12.505 117 HD21 ASN 13 1HD2 ASN 13 -1.392 0.784 12.917 118 HD22 ASN 13 2HD2 ASN 13 -1.464 0.787 14.649 119 H ASN 14 H ASN 14 2.545 -2.944 10.961 120 HA ASN 14 HA ASN 14 3.346 -4.109 13.508 121 HB2 ASN 14 2HB ASN 14 4.739 -5.688 12.203 122 HB3 ASN 14 1HB ASN 14 3.083 -5.662 11.621 123 HD21 ASN 14 1HD2 ASN 14 2.696 -5.050 9.543 124 HD22 ASN 14 2HD2 ASN 14 3.935 -4.671 8.406 125 H GLY 15 H GLY 15 4.031 -1.344 12.668 126 HA2 GLY 15 2HA GLY 15 5.760 -0.104 13.730 127 HA3 GLY 15 1HA GLY 15 6.824 -1.488 13.508 128 H LYS 16 H LYS 16 5.603 -1.586 10.680 129 HA LYS 16 HA LYS 16 7.181 0.619 9.593 130 HB2 LYS 16 2HB LYS 16 7.812 -0.746 7.684 131 HB3 LYS 16 1HB LYS 16 8.265 -1.605 9.146 132 HG2 LYS 16 2HG LYS 16 6.346 -3.080 8.898 133 HG3 LYS 16 1HG LYS 16 5.797 -2.166 7.497 134 HD2 LYS 16 2HD LYS 16 6.885 -4.124 6.671 135 HD3 LYS 16 1HD LYS 16 7.970 -2.774 6.369 136 HE2 LYS 16 2HE LYS 16 9.266 -4.618 7.182 137 HE3 LYS 16 1HE LYS 16 9.211 -3.401 8.451 138 HZ1 LYS 16 3HZ LYS 16 7.376 -4.735 9.488 139 HZ2 LYS 16 1HZ LYS 16 8.836 -5.562 9.410 140 HZ3 LYS 16 2HZ LYS 16 7.637 -5.916 8.317 141 H TYR 17 H TYR 17 6.371 1.522 7.680 142 HA TYR 17 HA TYR 17 3.567 0.954 7.071 143 HB2 TYR 17 2HB TYR 17 4.801 3.598 7.823 144 HB3 TYR 17 1HB TYR 17 3.404 3.543 6.759 145 HD1 TYR 17 1HD TYR 17 4.517 2.196 10.071 146 HD2 TYR 17 2HD TYR 17 1.311 3.696 7.729 147 HE1 TYR 17 1HE TYR 17 3.028 2.046 12.010 148 HE2 TYR 17 2HE TYR 17 -0.179 3.554 9.672 149 HH TYR 17 HH TYR 17 -0.333 2.330 11.731 150 H VAL 18 H VAL 18 3.040 1.326 4.911 151 HA VAL 18 HA VAL 18 5.421 1.585 3.264 152 HB VAL 18 HB VAL 18 4.279 -0.534 2.881 153 HG11 VAL 18 1HG1 VAL 18 1.855 1.077 2.199 154 HG12 VAL 18 2HG1 VAL 18 2.094 0.028 3.606 155 HG13 VAL 18 3HG1 VAL 18 2.026 -0.670 1.987 156 HG21 VAL 18 3HG2 VAL 18 3.836 1.332 0.557 157 HG22 VAL 18 1HG2 VAL 18 3.878 -0.429 0.466 158 HG23 VAL 18 2HG2 VAL 18 5.326 0.464 0.927 159 H LYS 19 H LYS 19 5.677 3.046 1.786 160 HA LYS 19 HA LYS 19 4.171 5.487 1.940 161 HB2 LYS 19 2HB LYS 19 6.666 5.240 1.648 162 HB3 LYS 19 1HB LYS 19 6.360 4.597 0.052 163 HG2 LYS 19 2HG LYS 19 7.014 6.852 -0.192 164 HG3 LYS 19 1HG LYS 19 5.282 6.778 -0.523 165 HD2 LYS 19 2HD LYS 19 4.752 7.679 1.599 166 HD3 LYS 19 1HD LYS 19 6.405 7.484 2.176 167 HE2 LYS 19 2HE LYS 19 7.103 9.097 0.392 168 HE3 LYS 19 1HE LYS 19 5.405 9.381 0.071 169 HZ1 LYS 19 3HZ LYS 19 5.086 10.198 2.280 170 HZ2 LYS 19 1HZ LYS 19 6.393 11.020 1.620 171 HZ3 LYS 19 2HZ LYS 19 6.636 9.781 2.741 172 H VAL 20 H VAL 20 2.309 5.750 0.707 173 HA VAL 20 HA VAL 20 2.311 4.387 -1.869 174 HB VAL 20 HB VAL 20 0.899 3.109 -0.315 175 HG11 VAL 20 1HG1 VAL 20 0.250 4.823 1.217 176 HG12 VAL 20 2HG1 VAL 20 -1.189 4.042 0.554 177 HG13 VAL 20 3HG1 VAL 20 -0.692 5.628 -0.036 178 HG21 VAL 20 3HG2 VAL 20 -1.206 3.090 -1.630 179 HG22 VAL 20 1HG2 VAL 20 0.239 3.053 -2.638 180 HG23 VAL 20 2HG2 VAL 20 -0.667 4.552 -2.456 181 H ARG 21 H ARG 21 1.751 5.558 -3.541 182 HA ARG 21 HA ARG 21 0.889 8.285 -3.071 183 HB2 ARG 21 2HB ARG 21 2.743 7.955 -4.672 184 HB3 ARG 21 1HB ARG 21 1.718 6.929 -5.663 185 HG2 ARG 21 2HG ARG 21 0.267 8.812 -6.160 186 HG3 ARG 21 1HG ARG 21 1.216 9.847 -5.096 187 HD2 ARG 21 2HD ARG 21 3.186 9.469 -6.530 188 HD3 ARG 21 1HD ARG 21 2.195 8.490 -7.607 189 HE ARG 21 HE ARG 21 0.897 10.479 -8.076 190 HH11 ARG 21 1HH1 ARG 21 4.179 10.975 -6.743 191 HH12 ARG 21 2HH1 ARG 21 4.275 12.583 -7.297 192 HH21 ARG 21 1HH2 ARG 21 1.137 12.693 -8.882 193 HH22 ARG 21 2HH2 ARG 21 2.550 13.559 -8.536 194 H ILE 22 H ILE 22 -1.104 8.818 -3.255 195 HA ILE 22 HA ILE 22 -3.080 6.882 -4.184 196 HB ILE 22 HB ILE 22 -3.557 9.604 -2.952 197 HG12 ILE 22 2HG1 ILE 22 -2.243 8.315 -1.364 198 HG13 ILE 22 1HG1 ILE 22 -3.901 8.450 -0.793 199 HG21 ILE 22 1HG2 ILE 22 -5.346 7.183 -3.182 200 HG22 ILE 22 2HG2 ILE 22 -5.474 8.673 -4.115 201 HG23 ILE 22 3HG2 ILE 22 -5.763 8.696 -2.375 202 HD11 ILE 22 3HD1 ILE 22 -2.652 6.059 -2.115 203 HD12 ILE 22 1HD1 ILE 22 -4.333 6.183 -1.595 204 HD13 ILE 22 2HD1 ILE 22 -3.039 6.227 -0.401 205 H LEU 23 H LEU 23 -3.327 7.018 -6.350 206 HA LEU 23 HA LEU 23 -3.225 9.617 -7.625 207 HB2 LEU 23 2HB LEU 23 -3.763 6.844 -8.727 208 HB3 LEU 23 1HB LEU 23 -3.639 8.298 -9.694 209 HG LEU 23 HG LEU 23 -1.399 7.099 -8.066 210 HD11 LEU 23 1HD1 LEU 23 -0.422 6.542 -10.238 211 HD12 LEU 23 2HD1 LEU 23 -1.876 7.134 -11.044 212 HD13 LEU 23 3HD1 LEU 23 -1.962 5.722 -9.990 213 HD21 LEU 23 3HD2 LEU 23 -1.440 9.439 -9.976 214 HD22 LEU 23 1HD2 LEU 23 0.002 8.743 -9.231 215 HD23 LEU 23 2HD2 LEU 23 -1.226 9.517 -8.229 216 H LYS 24 H LYS 24 -4.945 10.785 -7.461 217 HA LYS 24 HA LYS 24 -7.554 9.439 -7.191 218 HB2 LYS 24 2HB LYS 24 -6.732 10.360 -5.073 219 HB3 LYS 24 1HB LYS 24 -6.524 11.931 -5.821 220 HG2 LYS 24 2HG LYS 24 -9.032 11.913 -6.221 221 HG3 LYS 24 1HG LYS 24 -9.091 10.514 -5.147 222 HD2 LYS 24 2HD LYS 24 -7.996 13.243 -4.427 223 HD3 LYS 24 1HD LYS 24 -9.564 12.612 -3.944 224 HE2 LYS 24 2HE LYS 24 -6.916 11.348 -3.186 225 HE3 LYS 24 1HE LYS 24 -7.782 12.497 -2.181 226 HZ1 LYS 24 3HZ LYS 24 -8.818 9.814 -3.015 227 HZ2 LYS 24 1HZ LYS 24 -9.641 10.934 -2.073 228 HZ3 LYS 24 2HZ LYS 24 -8.241 10.229 -1.502 229 H SER 25 H SER 25 -8.410 9.821 -9.272 230 HA SER 25 HA SER 25 -8.335 12.588 -10.015 231 HB2 SER 25 2HB SER 25 -8.906 11.698 -12.316 232 HB3 SER 25 1HB SER 25 -7.300 11.340 -11.654 233 HG SER 25 HG SER 25 -9.094 9.701 -12.569 234 H ARG 26 H ARG 26 -9.922 13.411 -8.947 235 HA ARG 26 HA ARG 26 -12.610 12.344 -9.083 236 HB2 ARG 26 2HB ARG 26 -11.511 14.944 -7.974 237 HB3 ARG 26 1HB ARG 26 -13.188 14.448 -7.850 238 HG2 ARG 26 2HG ARG 26 -12.594 12.562 -6.489 239 HG3 ARG 26 1HG ARG 26 -10.878 12.910 -6.701 240 HD2 ARG 26 2HD ARG 26 -12.867 14.756 -5.388 241 HD3 ARG 26 1HD ARG 26 -11.764 13.683 -4.527 242 HE ARG 26 HE ARG 26 -10.048 15.050 -6.004 243 HH11 ARG 26 1HH1 ARG 26 -12.709 16.213 -3.980 244 HH12 ARG 26 2HH1 ARG 26 -12.013 17.742 -3.718 245 HH21 ARG 26 1HH2 ARG 26 -9.096 17.142 -5.599 246 HH22 ARG 26 2HH2 ARG 26 -9.929 18.277 -4.638 247 H ASP 27 H ASP 27 -10.551 14.066 -10.953 248 HA ASP 27 HA ASP 27 -12.067 15.911 -12.407 249 HB2 ASP 27 2HB ASP 27 -9.830 14.166 -13.484 250 HB3 ASP 27 1HB ASP 27 -10.279 15.780 -14.016 251 H ASP 28 H ASP 28 -11.416 12.469 -12.771 252 HA ASP 28 HA ASP 28 -12.977 12.068 -15.163 253 HB2 ASP 28 2HB ASP 28 -12.110 10.052 -13.062 254 HB3 ASP 28 1HB ASP 28 -12.828 9.641 -14.605 255 H ASN 29 H ASN 29 -13.321 11.232 -11.822 256 HA ASN 29 HA ASN 29 -15.849 12.134 -11.246 257 HB2 ASN 29 2HB ASN 29 -16.651 10.312 -12.836 258 HB3 ASN 29 1HB ASN 29 -15.878 9.127 -11.786 259 HD21 ASN 29 1HD2 ASN 29 -16.852 8.689 -9.686 260 HD22 ASN 29 2HD2 ASN 29 -18.458 9.197 -9.378 261 H SER 30 H SER 30 -14.228 9.038 -10.815 262 HA SER 30 HA SER 30 -12.968 9.821 -8.422 263 HB2 SER 30 2HB SER 30 -14.196 8.137 -6.994 264 HB3 SER 30 1HB SER 30 -15.133 9.571 -7.421 265 HG SER 30 HG SER 30 -15.188 7.120 -8.813 266 H VAL 31 H VAL 31 -11.406 9.043 -10.106 267 HA VAL 31 HA VAL 31 -11.265 6.128 -10.026 268 HB VAL 31 HB VAL 31 -9.767 8.036 -11.866 269 HG11 VAL 31 1HG1 VAL 31 -9.795 5.012 -11.829 270 HG12 VAL 31 2HG1 VAL 31 -8.445 6.036 -11.349 271 HG13 VAL 31 3HG1 VAL 31 -8.979 6.017 -13.028 272 HG21 VAL 31 3HG2 VAL 31 -12.144 7.851 -12.433 273 HG22 VAL 31 1HG2 VAL 31 -12.000 6.096 -12.475 274 HG23 VAL 31 2HG2 VAL 31 -11.139 7.080 -13.660 275 H GLU 32 H GLU 32 -10.320 5.625 -8.226 276 HA GLU 32 HA GLU 32 -7.832 7.010 -7.604 277 HB2 GLU 32 2HB GLU 32 -9.799 5.812 -5.667 278 HB3 GLU 32 1HB GLU 32 -8.264 6.560 -5.246 279 HG2 GLU 32 2HG GLU 32 -9.082 8.676 -6.242 280 HG3 GLU 32 1HG GLU 32 -10.636 7.887 -6.498 281 H LYS 33 H LYS 33 -6.212 5.869 -7.925 282 HA LYS 33 HA LYS 33 -6.273 3.069 -7.173 283 HB2 LYS 33 2HB LYS 33 -5.071 4.228 -9.667 284 HB3 LYS 33 1HB LYS 33 -4.445 2.739 -8.972 285 HG2 LYS 33 2HG LYS 33 -6.766 1.808 -9.126 286 HG3 LYS 33 1HG LYS 33 -7.211 3.252 -10.030 287 HD2 LYS 33 2HD LYS 33 -5.625 2.746 -11.753 288 HD3 LYS 33 1HD LYS 33 -4.980 1.386 -10.832 289 HE2 LYS 33 2HE LYS 33 -7.799 1.598 -11.885 290 HE3 LYS 33 1HE LYS 33 -6.499 0.713 -12.668 291 HZ1 LYS 33 3HZ LYS 33 -7.597 0.104 -9.961 292 HZ2 LYS 33 1HZ LYS 33 -6.394 -0.786 -10.735 293 HZ3 LYS 33 2HZ LYS 33 -7.937 -0.737 -11.362 294 H TYR 34 H TYR 34 -4.187 2.239 -6.671 295 HA TYR 34 HA TYR 34 -2.724 4.303 -5.214 296 HB2 TYR 34 2HB TYR 34 -3.102 1.392 -4.496 297 HB3 TYR 34 1HB TYR 34 -2.379 2.637 -3.480 298 HD1 TYR 34 1HD TYR 34 -5.560 1.307 -4.797 299 HD2 TYR 34 2HD TYR 34 -3.780 4.271 -2.339 300 HE1 TYR 34 1HE TYR 34 -7.779 1.877 -3.897 301 HE2 TYR 34 2HE TYR 34 -5.994 4.845 -1.424 302 HH TYR 34 HH TYR 34 -8.287 4.702 -2.095 303 H VAL 35 H VAL 35 -0.476 3.970 -5.076 304 HA VAL 35 HA VAL 35 0.637 3.160 -7.535 305 HB VAL 35 HB VAL 35 1.460 4.952 -5.904 306 HG11 VAL 35 1HG1 VAL 35 3.254 4.339 -4.363 307 HG12 VAL 35 2HG1 VAL 35 2.883 2.638 -4.640 308 HG13 VAL 35 3HG1 VAL 35 1.678 3.696 -3.904 309 HG21 VAL 35 3HG2 VAL 35 2.623 4.514 -7.949 310 HG22 VAL 35 1HG2 VAL 35 3.443 3.131 -7.227 311 HG23 VAL 35 2HG2 VAL 35 3.801 4.764 -6.663 312 H LEU 36 H LEU 36 2.100 1.447 -8.032 313 HA LEU 36 HA LEU 36 1.443 -0.936 -6.608 314 HB2 LEU 36 2HB LEU 36 2.795 -0.450 -9.253 315 HB3 LEU 36 1HB LEU 36 2.574 -2.027 -8.545 316 HG LEU 36 HG LEU 36 0.901 -1.796 -10.191 317 HD11 LEU 36 1HD1 LEU 36 0.086 -2.831 -8.204 318 HD12 LEU 36 2HD1 LEU 36 -1.200 -1.925 -9.000 319 HD13 LEU 36 3HD1 LEU 36 -0.430 -1.271 -7.558 320 HD21 LEU 36 3HD2 LEU 36 -0.709 0.069 -10.303 321 HD22 LEU 36 1HD2 LEU 36 0.953 0.610 -10.551 322 HD23 LEU 36 2HD2 LEU 36 0.162 0.880 -9.000 323 H THR 37 H THR 37 3.856 1.273 -6.294 324 HA THR 37 HA THR 37 5.855 -0.776 -5.855 325 HB THR 37 HB THR 37 6.717 1.198 -7.002 326 HG1 THR 37 1HG THR 37 8.284 0.408 -5.805 327 HG21 THR 37 3HG2 THR 37 5.792 2.779 -4.596 328 HG22 THR 37 1HG2 THR 37 5.190 2.916 -6.238 329 HG23 THR 37 2HG2 THR 37 6.834 3.420 -5.860 330 H SER 38 H SER 38 6.936 -0.944 -3.789 331 HA SER 38 HA SER 38 4.983 -0.493 -1.656 332 HB2 SER 38 2HB SER 38 6.565 -2.994 -2.186 333 HB3 SER 38 1HB SER 38 5.392 -2.752 -0.890 334 HG SER 38 HG SER 38 4.063 -2.079 -2.951 335 H HIS 39 H HIS 39 7.491 0.997 -2.197 336 HA HIS 39 HA HIS 39 9.560 0.308 -0.427 337 HB2 HIS 39 2HB HIS 39 8.648 3.010 -1.415 338 HB3 HIS 39 1HB HIS 39 10.005 2.847 -0.313 339 HD1 HIS 39 1HD HIS 39 12.117 1.479 -1.291 340 HD2 HIS 39 2HD HIS 39 9.215 2.596 -4.055 341 HE1 HIS 39 1HE HIS 39 13.208 1.284 -3.525 342 HE2 HIS 39 2HE HIS 39 11.382 1.758 -5.179 343 H VAL 40 H VAL 40 9.470 -0.044 1.639 344 HA VAL 40 HA VAL 40 7.359 1.158 3.216 345 HB VAL 40 HB VAL 40 8.104 -0.487 5.013 346 HG11 VAL 40 1HG1 VAL 40 7.159 -1.572 2.367 347 HG12 VAL 40 2HG1 VAL 40 6.153 -0.879 3.642 348 HG13 VAL 40 3HG1 VAL 40 7.011 -2.393 3.921 349 HG21 VAL 40 3HG2 VAL 40 10.370 -0.923 4.128 350 HG22 VAL 40 1HG2 VAL 40 9.653 -1.693 2.711 351 HG23 VAL 40 2HG2 VAL 40 9.434 -2.411 4.301 352 H SER 41 H SER 41 7.675 2.151 5.140 353 HA SER 41 HA SER 41 10.356 3.195 5.665 354 HB2 SER 41 2HB SER 41 7.642 4.381 6.362 355 HB3 SER 41 1HB SER 41 9.215 5.159 6.569 356 HG SER 41 HG SER 41 8.635 4.230 4.050 357 H LYS 42 H LYS 42 11.030 2.906 7.822 358 HA LYS 42 HA LYS 42 9.542 0.809 9.221 359 HB2 LYS 42 2HB LYS 42 11.606 0.451 10.488 360 HB3 LYS 42 1HB LYS 42 11.884 0.378 8.755 361 HG2 LYS 42 2HG LYS 42 12.805 2.624 8.786 362 HG3 LYS 42 1HG LYS 42 12.485 2.746 10.515 363 HD2 LYS 42 2HD LYS 42 13.990 0.839 10.902 364 HD3 LYS 42 1HD LYS 42 14.332 0.776 9.173 365 HE2 LYS 42 2HE LYS 42 15.221 3.059 9.276 366 HE3 LYS 42 1HE LYS 42 14.872 3.104 11.002 367 HZ1 LYS 42 3HZ LYS 42 17.171 2.581 10.652 368 HZ2 LYS 42 1HZ LYS 42 16.792 1.255 9.682 369 HZ3 LYS 42 2HZ LYS 42 16.398 1.244 11.299 370 H ASN 43 H ASN 43 9.052 3.805 9.283 371 HA ASN 43 HA ASN 43 8.972 4.116 12.205 372 HB2 ASN 43 2HB ASN 43 9.428 6.255 10.110 373 HB3 ASN 43 1HB ASN 43 9.067 6.597 11.795 374 HD21 ASN 43 1HD2 ASN 43 11.446 5.427 9.552 375 HD22 ASN 43 2HD2 ASN 43 12.780 5.489 10.631 376 H ARG 44 H ARG 44 7.179 5.464 12.925 377 HA ARG 44 HA ARG 44 4.861 5.029 11.218 378 HB2 ARG 44 2HB ARG 44 4.945 5.659 14.170 379 HB3 ARG 44 1HB ARG 44 3.514 5.259 13.234 380 HG2 ARG 44 2HG ARG 44 4.611 3.026 12.756 381 HG3 ARG 44 1HG ARG 44 5.801 3.474 13.974 382 HD2 ARG 44 2HD ARG 44 4.068 2.122 14.992 383 HD3 ARG 44 1HD ARG 44 4.014 3.769 15.618 384 HE ARG 44 HE ARG 44 2.212 2.994 13.427 385 HH11 ARG 44 1HH1 ARG 44 2.573 4.039 16.811 386 HH12 ARG 44 2HH1 ARG 44 0.929 4.426 16.968 387 HH21 ARG 44 1HH2 ARG 44 0.013 3.489 13.673 388 HH22 ARG 44 2HH2 ARG 44 -0.571 4.108 15.150 389 HA PRO 45 HA PRO 45 5.144 9.498 10.600 390 HB2 PRO 45 2HB PRO 45 2.811 8.948 8.867 391 HB3 PRO 45 1HB PRO 45 4.346 9.723 8.459 392 HG2 PRO 45 2HG PRO 45 3.821 7.270 7.587 393 HG3 PRO 45 1HG PRO 45 5.444 7.697 8.160 394 HD2 PRO 45 2HD PRO 45 3.268 6.225 9.600 395 HD3 PRO 45 1HD PRO 45 5.005 5.843 9.449 396 H LYS 46 H LYS 46 4.009 11.121 11.508 397 HA LYS 46 HA LYS 46 1.539 10.417 12.952 398 HB2 LYS 46 2HB LYS 46 3.608 10.896 14.242 399 HB3 LYS 46 1HB LYS 46 3.619 12.518 13.580 400 HG2 LYS 46 2HG LYS 46 1.422 12.920 14.683 401 HG3 LYS 46 1HG LYS 46 1.546 11.325 15.422 402 HD2 LYS 46 2HD LYS 46 3.457 13.631 15.804 403 HD3 LYS 46 1HD LYS 46 2.293 13.036 16.985 404 HE2 LYS 46 2HE LYS 46 3.450 10.887 17.057 405 HE3 LYS 46 1HE LYS 46 4.605 11.453 15.858 406 HZ1 LYS 46 3HZ LYS 46 5.506 11.567 18.025 407 HZ2 LYS 46 1HZ LYS 46 4.262 12.563 18.583 408 HZ3 LYS 46 2HZ LYS 46 5.369 13.116 17.406 409 H ASN 47 H ASN 47 2.552 11.982 10.266 410 HA ASN 47 HA ASN 47 0.601 14.177 10.546 411 HB2 ASN 47 2HB ASN 47 2.017 15.561 9.170 412 HB3 ASN 47 1HB ASN 47 2.980 14.919 10.492 413 HD21 ASN 47 1HD2 ASN 47 3.839 15.964 7.935 414 HD22 ASN 47 2HD2 ASN 47 4.766 14.722 7.178 415 H ALA 48 H ALA 48 0.387 11.362 9.390 416 HA ALA 48 HA ALA 48 -0.330 12.194 6.678 417 HB1 ALA 48 1HB ALA 48 0.521 10.140 5.756 418 HB2 ALA 48 2HB ALA 48 1.044 9.612 7.356 419 HB3 ALA 48 3HB ALA 48 1.804 11.010 6.598 420 H ILE 49 H ILE 49 -1.838 10.874 5.630 421 HA ILE 49 HA ILE 49 -3.915 9.900 7.378 422 HB ILE 49 HB ILE 49 -3.729 10.089 4.352 423 HG12 ILE 49 2HG1 ILE 49 -3.734 12.292 5.391 424 HG13 ILE 49 1HG1 ILE 49 -5.254 12.014 4.553 425 HG21 ILE 49 1HG2 ILE 49 -5.304 8.345 4.973 426 HG22 ILE 49 2HG2 ILE 49 -6.147 9.737 4.288 427 HG23 ILE 49 3HG2 ILE 49 -6.148 9.477 6.034 428 HD11 ILE 49 3HD1 ILE 49 -5.640 13.124 6.664 429 HD12 ILE 49 1HD1 ILE 49 -4.794 11.841 7.528 430 HD13 ILE 49 2HD1 ILE 49 -6.317 11.496 6.712 431 H VAL 50 H VAL 50 -4.212 7.789 7.823 432 HA VAL 50 HA VAL 50 -2.590 5.921 6.297 433 HB VAL 50 HB VAL 50 -2.500 4.450 8.280 434 HG11 VAL 50 1HG1 VAL 50 -0.659 5.957 7.857 435 HG12 VAL 50 2HG1 VAL 50 -0.919 5.812 9.596 436 HG13 VAL 50 3HG1 VAL 50 -1.487 7.243 8.735 437 HG21 VAL 50 3HG2 VAL 50 -3.790 6.759 9.747 438 HG22 VAL 50 1HG2 VAL 50 -3.136 5.304 10.499 439 HG23 VAL 50 2HG2 VAL 50 -4.542 5.197 9.433 440 H ILE 51 H ILE 51 -3.472 4.369 5.292 441 HA ILE 51 HA ILE 51 -6.318 3.731 5.731 442 HB ILE 51 HB ILE 51 -4.612 3.301 3.244 443 HG12 ILE 51 2HG1 ILE 51 -6.693 5.436 3.775 444 HG13 ILE 51 1HG1 ILE 51 -4.970 5.701 3.671 445 HG21 ILE 51 1HG2 ILE 51 -6.438 1.704 3.444 446 HG22 ILE 51 2HG2 ILE 51 -6.741 2.819 2.112 447 HG23 ILE 51 3HG2 ILE 51 -7.591 3.024 3.645 448 HD11 ILE 51 3HD1 ILE 51 -4.986 5.044 1.320 449 HD12 ILE 51 1HD1 ILE 51 -6.087 6.388 1.619 450 HD13 ILE 51 2HD1 ILE 51 -6.721 4.754 1.408 451 H LYS 52 H LYS 52 -6.690 1.557 6.281 452 HA LYS 52 HA LYS 52 -4.296 0.061 6.885 453 HB2 LYS 52 2HB LYS 52 -6.189 0.203 8.489 454 HB3 LYS 52 1HB LYS 52 -7.170 -0.736 7.372 455 HG2 LYS 52 2HG LYS 52 -5.540 -2.599 7.565 456 HG3 LYS 52 1HG LYS 52 -4.651 -1.639 8.747 457 HD2 LYS 52 2HD LYS 52 -7.518 -2.542 9.049 458 HD3 LYS 52 1HD LYS 52 -6.125 -3.337 9.771 459 HE2 LYS 52 2HE LYS 52 -6.897 -0.472 10.293 460 HE3 LYS 52 1HE LYS 52 -7.385 -1.827 11.299 461 HZ1 LYS 52 3HZ LYS 52 -5.006 -2.265 11.743 462 HZ2 LYS 52 1HZ LYS 52 -5.481 -0.739 12.231 463 HZ3 LYS 52 2HZ LYS 52 -4.555 -0.908 10.863 464 H MET 53 H MET 53 -3.941 -2.091 6.267 465 HA MET 53 HA MET 53 -3.617 -2.503 3.589 466 HB2 MET 53 2HB MET 53 -3.810 -4.577 5.753 467 HB3 MET 53 1HB MET 53 -3.179 -4.878 4.145 468 HG2 MET 53 2HG MET 53 -1.394 -3.279 4.528 469 HG3 MET 53 1HG MET 53 -2.041 -2.923 6.127 470 HE1 MET 53 3HE MET 53 -2.874 -5.813 7.229 471 HE2 MET 53 1HE MET 53 -1.986 -4.605 8.161 472 HE3 MET 53 2HE MET 53 -1.383 -6.255 8.059 473 H ASP 54 H ASP 54 -6.249 -3.611 5.553 474 HA ASP 54 HA ASP 54 -7.315 -5.489 3.737 475 HB2 ASP 54 2HB ASP 54 -7.745 -5.581 6.130 476 HB3 ASP 54 1HB ASP 54 -8.660 -4.087 6.036 477 H ASN 55 H ASN 55 -7.565 -2.081 3.817 478 HA ASN 55 HA ASN 55 -10.105 -2.024 2.413 479 HB2 ASN 55 2HB ASN 55 -9.616 -0.351 4.181 480 HB3 ASN 55 1HB ASN 55 -8.278 0.255 3.216 481 HD21 ASN 55 1HD2 ASN 55 -8.711 1.628 1.524 482 HD22 ASN 55 2HD2 ASN 55 -10.285 2.240 1.173 483 H LEU 56 H LEU 56 -6.885 -2.346 1.599 484 HA LEU 56 HA LEU 56 -6.928 -0.816 -0.833 485 HB2 LEU 56 2HB LEU 56 -4.944 -2.778 0.304 486 HB3 LEU 56 1HB LEU 56 -4.779 -2.137 -1.308 487 HG LEU 56 HG LEU 56 -3.309 -0.968 0.186 488 HD11 LEU 56 1HD1 LEU 56 -5.621 0.802 -0.562 489 HD12 LEU 56 2HD1 LEU 56 -4.285 0.329 -1.606 490 HD13 LEU 56 3HD1 LEU 56 -3.980 1.328 -0.190 491 HD21 LEU 56 3HD2 LEU 56 -4.569 -1.386 2.248 492 HD22 LEU 56 1HD2 LEU 56 -5.739 -0.171 1.764 493 HD23 LEU 56 2HD2 LEU 56 -4.065 0.294 2.087 494 HA PRO 57 HA PRO 57 -8.612 -3.922 -3.442 495 HB2 PRO 57 2HB PRO 57 -7.349 -3.259 -5.798 496 HB3 PRO 57 1HB PRO 57 -8.801 -2.447 -5.194 497 HG2 PRO 57 2HG PRO 57 -5.978 -1.578 -5.183 498 HG3 PRO 57 1HG PRO 57 -7.451 -0.606 -5.247 499 HD2 PRO 57 2HD PRO 57 -5.881 -0.949 -3.004 500 HD3 PRO 57 1HD PRO 57 -7.578 -0.453 -2.980 501 H ILE 58 H ILE 58 -7.918 -5.689 -4.858 502 HA ILE 58 HA ILE 58 -5.836 -7.096 -3.675 503 HB ILE 58 HB ILE 58 -6.123 -8.795 -5.537 504 HG12 ILE 58 2HG1 ILE 58 -8.361 -8.570 -6.781 505 HG13 ILE 58 1HG1 ILE 58 -8.300 -6.864 -6.381 506 HG21 ILE 58 1HG2 ILE 58 -7.181 -9.059 -3.423 507 HG22 ILE 58 2HG2 ILE 58 -8.303 -9.551 -4.695 508 HG23 ILE 58 3HG2 ILE 58 -8.496 -7.989 -3.902 509 HD11 ILE 58 3HD1 ILE 58 -6.312 -8.375 -8.058 510 HD12 ILE 58 1HD1 ILE 58 -6.219 -6.661 -7.648 511 HD13 ILE 58 2HD1 ILE 58 -7.551 -7.261 -8.638 512 H GLU 59 H GLU 59 -5.781 -5.031 -6.382 513 HA GLU 59 HA GLU 59 -3.440 -5.715 -7.726 514 HB2 GLU 59 2HB GLU 59 -4.349 -2.918 -7.027 515 HB3 GLU 59 1HB GLU 59 -3.319 -3.378 -8.368 516 HG2 GLU 59 2HG GLU 59 -5.160 -4.499 -9.446 517 HG3 GLU 59 1HG GLU 59 -6.203 -4.177 -8.060 518 H VAL 60 H VAL 60 -3.929 -3.543 -5.023 519 HA VAL 60 HA VAL 60 -1.172 -2.862 -4.722 520 HB VAL 60 HB VAL 60 -3.429 -2.408 -2.778 521 HG11 VAL 60 1HG1 VAL 60 -1.233 -2.004 -1.825 522 HG12 VAL 60 2HG1 VAL 60 -2.112 -0.488 -2.027 523 HG13 VAL 60 3HG1 VAL 60 -0.829 -0.920 -3.159 524 HG21 VAL 60 3HG2 VAL 60 -3.965 -1.609 -5.033 525 HG22 VAL 60 1HG2 VAL 60 -2.531 -0.592 -5.003 526 HG23 VAL 60 2HG2 VAL 60 -3.862 -0.312 -3.852 527 H LYS 61 H LYS 61 -3.497 -4.815 -2.910 528 HA LYS 61 HA LYS 61 -1.815 -5.494 -0.793 529 HB2 LYS 61 2HB LYS 61 -4.130 -7.027 -1.951 530 HB3 LYS 61 1HB LYS 61 -3.348 -7.419 -0.422 531 HG2 LYS 61 2HG LYS 61 -3.862 -5.152 0.345 532 HG3 LYS 61 1HG LYS 61 -4.798 -4.890 -1.117 533 HD2 LYS 61 2HD LYS 61 -5.361 -7.065 0.915 534 HD3 LYS 61 1HD LYS 61 -6.232 -5.537 0.808 535 HE2 LYS 61 2HE LYS 61 -6.931 -6.133 -1.488 536 HE3 LYS 61 1HE LYS 61 -6.111 -7.680 -1.316 537 HZ1 LYS 61 3HZ LYS 61 -8.467 -7.884 -0.865 538 HZ2 LYS 61 1HZ LYS 61 -8.362 -6.736 0.366 539 HZ3 LYS 61 2HZ LYS 61 -7.578 -8.201 0.530 540 H ASP 62 H ASP 62 -2.296 -6.987 -3.872 541 HA ASP 62 HA ASP 62 -0.764 -9.303 -3.430 542 HB2 ASP 62 2HB ASP 62 -2.274 -9.050 -5.368 543 HB3 ASP 62 1HB ASP 62 -1.185 -7.847 -6.049 544 H LYS 63 H LYS 63 0.117 -6.130 -4.741 545 HA LYS 63 HA LYS 63 2.844 -6.633 -5.233 546 HB2 LYS 63 2HB LYS 63 1.535 -4.045 -4.398 547 HB3 LYS 63 1HB LYS 63 3.104 -4.191 -5.171 548 HG2 LYS 63 2HG LYS 63 0.470 -4.977 -6.387 549 HG3 LYS 63 1HG LYS 63 1.338 -3.482 -6.711 550 HD2 LYS 63 2HD LYS 63 3.178 -4.727 -7.657 551 HD3 LYS 63 1HD LYS 63 2.399 -6.265 -7.252 552 HE2 LYS 63 2HE LYS 63 0.544 -5.668 -8.760 553 HE3 LYS 63 1HE LYS 63 1.378 -4.167 -9.161 554 HZ1 LYS 63 3HZ LYS 63 3.186 -5.440 -10.070 555 HZ2 LYS 63 1HZ LYS 63 1.738 -5.857 -10.812 556 HZ3 LYS 63 2HZ LYS 63 2.437 -6.891 -9.662 557 H LEU 64 H LEU 64 1.216 -5.211 -2.434 558 HA LEU 64 HA LEU 64 3.420 -4.717 -0.799 559 HB2 LEU 64 2HB LEU 64 0.680 -5.595 0.119 560 HB3 LEU 64 1HB LEU 64 1.872 -4.760 1.089 561 HG LEU 64 HG LEU 64 0.325 -3.644 -1.244 562 HD11 LEU 64 1HD1 LEU 64 0.262 -2.986 1.690 563 HD12 LEU 64 2HD1 LEU 64 -0.978 -3.842 0.776 564 HD13 LEU 64 3HD1 LEU 64 -0.639 -2.147 0.428 565 HD21 LEU 64 3HD2 LEU 64 1.404 -1.501 -0.756 566 HD22 LEU 64 1HD2 LEU 64 2.583 -2.715 -1.251 567 HD23 LEU 64 2HD2 LEU 64 2.421 -2.284 0.454 568 H THR 65 H THR 65 1.515 -7.618 -1.213 569 HA THR 65 HA THR 65 2.699 -9.169 0.831 570 HB THR 65 HB THR 65 1.385 -10.122 -1.732 571 HG1 THR 65 1HG THR 65 0.009 -8.775 -0.464 572 HG21 THR 65 3HG2 THR 65 1.797 -11.518 0.928 573 HG22 THR 65 1HG2 THR 65 2.654 -11.883 -0.568 574 HG23 THR 65 2HG2 THR 65 0.920 -12.177 -0.452 575 H ARG 66 H ARG 66 3.429 -8.952 -2.644 576 HA ARG 66 HA ARG 66 5.416 -10.972 -2.447 577 HB2 ARG 66 2HB ARG 66 5.001 -8.982 -4.670 578 HB3 ARG 66 1HB ARG 66 5.947 -10.465 -4.765 579 HG2 ARG 66 2HG ARG 66 3.909 -11.748 -4.246 580 HG3 ARG 66 1HG ARG 66 2.994 -10.249 -4.300 581 HD2 ARG 66 2HD ARG 66 3.823 -9.962 -6.656 582 HD3 ARG 66 1HD ARG 66 4.445 -11.613 -6.554 583 HE ARG 66 HE ARG 66 1.655 -10.763 -6.454 584 HH11 ARG 66 1HH1 ARG 66 3.977 -13.403 -6.915 585 HH12 ARG 66 2HH1 ARG 66 2.814 -14.609 -7.089 586 HH21 ARG 66 1HH2 ARG 66 0.077 -12.367 -6.656 587 HH22 ARG 66 2HH2 ARG 66 0.477 -14.017 -6.970 588 H PHE 67 H PHE 67 5.495 -7.610 -1.864 589 HA PHE 67 HA PHE 67 8.386 -7.476 -2.126 590 HB2 PHE 67 2HB PHE 67 6.860 -5.555 -2.710 591 HB3 PHE 67 1HB PHE 67 6.483 -5.410 -1.006 592 HD1 PHE 67 2HD PHE 67 8.287 -4.583 0.607 593 HD2 PHE 67 1HD PHE 67 8.866 -4.680 -3.628 594 HE1 PHE 67 2HE PHE 67 10.150 -3.042 0.828 595 HE2 PHE 67 1HE PHE 67 10.750 -3.118 -3.385 596 HZ PHE 67 HZ PHE 67 11.390 -2.296 -1.156 597 H PHE 68 H PHE 68 6.041 -6.917 0.539 598 HA PHE 68 HA PHE 68 8.166 -7.807 2.346 599 HB2 PHE 68 2HB PHE 68 7.464 -6.159 4.035 600 HB3 PHE 68 1HB PHE 68 8.050 -5.410 2.560 601 HD1 PHE 68 2HD PHE 68 6.447 -4.260 1.036 602 HD2 PHE 68 1HD PHE 68 5.221 -5.906 4.765 603 HE1 PHE 68 2HE PHE 68 4.381 -2.962 0.929 604 HE2 PHE 68 1HE PHE 68 3.155 -4.613 4.650 605 HZ PHE 68 HZ PHE 68 2.727 -3.139 2.727 606 H LEU 69 H LEU 69 4.660 -7.710 1.918 607 HA LEU 69 HA LEU 69 4.171 -8.726 4.567 608 HB2 LEU 69 2HB LEU 69 2.777 -7.008 3.463 609 HB3 LEU 69 1HB LEU 69 2.200 -8.183 2.324 610 HG LEU 69 HG LEU 69 1.212 -9.442 4.265 611 HD11 LEU 69 1HD1 LEU 69 1.930 -6.915 5.742 612 HD12 LEU 69 2HD1 LEU 69 2.569 -8.532 6.055 613 HD13 LEU 69 3HD1 LEU 69 0.867 -8.181 6.347 614 HD21 LEU 69 3HD2 LEU 69 -0.700 -7.919 4.463 615 HD22 LEU 69 1HD2 LEU 69 -0.123 -8.028 2.799 616 HD23 LEU 69 2HD2 LEU 69 0.273 -6.618 3.780 617 H LEU 70 H LEU 70 5.409 -10.398 2.281 618 HA LEU 70 HA LEU 70 3.633 -12.592 1.983 619 HB2 LEU 70 2HB LEU 70 5.635 -13.802 1.056 620 HB3 LEU 70 1HB LEU 70 5.162 -12.345 0.222 621 HG LEU 70 HG LEU 70 7.057 -11.174 1.467 622 HD11 LEU 70 1HD1 LEU 70 7.927 -13.996 2.048 623 HD12 LEU 70 2HD1 LEU 70 7.432 -12.794 3.238 624 HD13 LEU 70 3HD1 LEU 70 8.894 -12.540 2.285 625 HD21 LEU 70 3HD2 LEU 70 8.754 -12.003 -0.091 626 HD22 LEU 70 1HD2 LEU 70 7.194 -11.750 -0.873 627 HD23 LEU 70 2HD2 LEU 70 7.722 -13.382 -0.466 628 H GLU 71 H GLU 71 5.467 -11.601 4.562 629 HA GLU 71 HA GLU 71 6.101 -14.186 5.551 630 HB2 GLU 71 2HB GLU 71 7.511 -12.330 6.239 631 HB3 GLU 71 1HB GLU 71 6.138 -11.530 6.996 632 HG2 GLU 71 2HG GLU 71 5.953 -13.292 8.627 633 HG3 GLU 71 1HG GLU 71 7.216 -14.208 7.820 634 H HIS 72 H HIS 72 4.217 -15.173 5.338 635 HA HIS 72 HA HIS 72 2.719 -15.501 7.722 636 HB2 HIS 72 2HB HIS 72 1.298 -14.768 5.097 637 HB3 HIS 72 1HB HIS 72 0.495 -15.537 6.455 638 HD1 HIS 72 1HD HIS 72 0.809 -12.375 4.934 639 HD2 HIS 72 2HD HIS 72 0.813 -13.675 8.880 640 HE1 HIS 72 1HE HIS 72 0.308 -10.351 6.305 641 HE2 HIS 72 2HE HIS 72 0.849 -11.127 8.621 642 H HIS 73 H HIS 73 1.874 -17.709 7.570 643 HA HIS 73 HA HIS 73 2.717 -19.025 5.148 644 HB2 HIS 73 2HB HIS 73 3.930 -20.858 6.317 645 HB3 HIS 73 1HB HIS 73 4.699 -19.294 6.467 646 HD1 HIS 73 1HD HIS 73 4.192 -22.158 8.375 647 HD2 HIS 73 2HD HIS 73 3.735 -18.117 9.190 648 HE1 HIS 73 1HE HIS 73 4.364 -21.946 10.874 649 HE2 HIS 73 2HE HIS 73 3.797 -19.554 11.333 650 H HIS 74 H HIS 74 0.647 -19.164 4.653 651 HA HIS 74 HA HIS 74 -0.601 -21.566 5.697 652 HB2 HIS 74 2HB HIS 74 -2.075 -18.938 5.311 653 HB3 HIS 74 1HB HIS 74 -2.875 -20.489 5.454 654 HD1 HIS 74 1HD HIS 74 -2.339 -17.646 7.392 655 HD2 HIS 74 2HD HIS 74 -1.838 -21.702 8.135 656 HE1 HIS 74 1HE HIS 74 -2.485 -17.902 9.871 657 HE2 HIS 74 2HE HIS 74 -2.079 -20.337 10.307 658 H HIS 75 H HIS 75 0.039 -22.595 3.880 659 HA HIS 75 HA HIS 75 -0.584 -21.377 1.343 660 HB2 HIS 75 2HB HIS 75 0.568 -23.358 0.279 661 HB3 HIS 75 1HB HIS 75 1.576 -22.356 1.304 662 HD1 HIS 75 1HD HIS 75 0.144 -25.838 1.026 663 HD2 HIS 75 2HD HIS 75 2.615 -23.644 3.558 664 HE1 HIS 75 1HE HIS 75 1.190 -27.496 2.556 665 HE2 HIS 75 2HE HIS 75 2.961 -26.180 3.737 666 H HIS 76 H HIS 76 -2.263 -23.105 3.450 667 HA HIS 76 HA HIS 76 -4.314 -24.042 3.468 668 HB2 HIS 76 2HB HIS 76 -4.423 -23.103 0.592 669 HB3 HIS 76 1HB HIS 76 -5.762 -23.928 1.373 670 HD1 HIS 76 1HD HIS 76 -7.474 -22.341 2.183 671 HD2 HIS 76 2HD HIS 76 -3.685 -20.663 2.297 672 HE1 HIS 76 1HE HIS 76 -7.805 -19.993 2.963 673 HE2 HIS 76 2HE HIS 76 -5.538 -18.951 2.836 674 H HIS 77 H HIS 77 -3.069 -24.905 0.335 675 HA HIS 77 HA HIS 77 -3.628 -27.689 0.966 676 HB2 HIS 77 2HB HIS 77 -3.504 -28.122 -1.492 677 HB3 HIS 77 1HB HIS 77 -4.747 -26.944 -1.114 678 HD1 HIS 77 1HD HIS 77 -1.925 -27.509 -3.298 679 HD2 HIS 77 2HD HIS 77 -3.855 -24.186 -1.747 680 HE1 HIS 77 1HE HIS 77 -1.238 -25.600 -4.751 681 HE2 HIS 77 2HE HIS 77 -2.677 -23.698 -3.985 Start of MODEL 5 1 H1 MET 1 1HT MET 1 8.103 19.441 -9.082 2 H2 MET 1 2HT MET 1 7.021 20.556 -8.382 3 H3 MET 1 3HT MET 1 6.745 19.981 -9.936 4 HA MET 1 HA MET 1 6.317 17.821 -9.153 5 HB2 MET 1 2HB MET 1 7.863 17.716 -7.279 6 HB3 MET 1 1HB MET 1 7.001 18.994 -6.441 7 HG2 MET 1 2HG MET 1 5.053 17.516 -6.220 8 HG3 MET 1 1HG MET 1 5.960 16.239 -7.031 9 HE1 MET 1 2HE MET 1 4.506 16.222 -4.024 10 HE2 MET 1 3HE MET 1 5.667 15.154 -3.238 11 HE3 MET 1 1HE MET 1 5.143 14.817 -4.883 12 H LEU 2 H LEU 2 4.325 18.229 -10.004 13 HA LEU 2 HA LEU 2 2.332 18.968 -8.108 14 HB2 LEU 2 2HB LEU 2 2.964 21.181 -8.968 15 HB3 LEU 2 1HB LEU 2 2.655 20.644 -10.603 16 HG LEU 2 HG LEU 2 0.264 20.347 -10.030 17 HD11 LEU 2 1HD1 LEU 2 1.049 21.618 -7.413 18 HD12 LEU 2 2HD1 LEU 2 0.451 19.971 -7.645 19 HD13 LEU 2 3HD1 LEU 2 -0.604 21.344 -7.967 20 HD21 LEU 2 3HD2 LEU 2 1.392 23.092 -9.507 21 HD22 LEU 2 1HD2 LEU 2 -0.275 22.735 -9.949 22 HD23 LEU 2 2HD2 LEU 2 1.030 22.397 -11.085 23 H LYS 3 H LYS 3 1.795 16.818 -8.462 24 HA LYS 3 HA LYS 3 -0.097 16.540 -10.647 25 HB2 LYS 3 2HB LYS 3 1.869 14.380 -9.789 26 HB3 LYS 3 1HB LYS 3 0.497 14.124 -10.849 27 HG2 LYS 3 2HG LYS 3 1.515 15.557 -12.535 28 HG3 LYS 3 1HG LYS 3 2.877 15.881 -11.460 29 HD2 LYS 3 2HD LYS 3 3.509 14.180 -13.073 30 HD3 LYS 3 1HD LYS 3 3.405 13.452 -11.475 31 HE2 LYS 3 2HE LYS 3 1.157 12.591 -12.027 32 HE3 LYS 3 1HE LYS 3 1.290 13.314 -13.628 33 HZ1 LYS 3 3HZ LYS 3 3.010 11.141 -12.540 34 HZ2 LYS 3 1HZ LYS 3 3.195 11.850 -14.058 35 HZ3 LYS 3 2HZ LYS 3 1.819 10.988 -13.716 36 H HIS 4 H HIS 4 -1.963 15.771 -9.867 37 HA HIS 4 HA HIS 4 -2.186 15.768 -7.053 38 HB2 HIS 4 2HB HIS 4 -4.675 15.225 -7.482 39 HB3 HIS 4 1HB HIS 4 -4.019 16.790 -7.943 40 HD1 HIS 4 1HD HIS 4 -4.524 17.511 -10.239 41 HD2 HIS 4 2HD HIS 4 -4.956 13.415 -9.798 42 HE1 HIS 4 1HE HIS 4 -5.432 16.698 -12.413 43 HE2 HIS 4 2HE HIS 4 -6.106 14.378 -11.917 44 H GLY 5 H GLY 5 -1.144 14.286 -6.166 45 HA2 GLY 5 2HA GLY 5 -2.434 11.723 -5.897 46 HA3 GLY 5 1HA GLY 5 -0.748 11.715 -6.443 47 H LYS 6 H LYS 6 -2.641 11.545 -3.829 48 HA LYS 6 HA LYS 6 -0.937 13.090 -2.047 49 HB2 LYS 6 2HB LYS 6 -3.289 11.297 -1.418 50 HB3 LYS 6 1HB LYS 6 -2.465 12.357 -0.286 51 HG2 LYS 6 2HG LYS 6 -3.207 14.310 -1.564 52 HG3 LYS 6 1HG LYS 6 -4.005 13.242 -2.719 53 HD2 LYS 6 2HD LYS 6 -5.648 14.131 -1.167 54 HD3 LYS 6 1HD LYS 6 -5.456 12.399 -0.905 55 HE2 LYS 6 2HE LYS 6 -5.588 13.578 1.221 56 HE3 LYS 6 1HE LYS 6 -3.988 12.869 1.028 57 HZ1 LYS 6 3HZ LYS 6 -3.802 15.108 1.866 58 HZ2 LYS 6 1HZ LYS 6 -4.735 15.711 0.606 59 HZ3 LYS 6 2HZ LYS 6 -3.216 15.099 0.291 60 H TYR 7 H TYR 7 0.578 12.211 -0.710 61 HA TYR 7 HA TYR 7 1.100 9.366 -1.009 62 HB2 TYR 7 2HB TYR 7 2.694 11.569 0.316 63 HB3 TYR 7 1HB TYR 7 3.140 9.874 0.378 64 HD1 TYR 7 2HD TYR 7 3.914 8.728 -1.655 65 HD2 TYR 7 1HD TYR 7 3.085 12.897 -1.628 66 HE1 TYR 7 2HE TYR 7 5.208 8.990 -3.736 67 HE2 TYR 7 1HE TYR 7 4.369 13.175 -3.694 68 HH TYR 7 HH TYR 7 5.488 10.500 -5.573 69 H VAL 8 H VAL 8 0.145 8.083 0.349 70 HA VAL 8 HA VAL 8 -0.205 9.002 3.098 71 HB VAL 8 HB VAL 8 -2.214 7.544 3.271 72 HG11 VAL 8 1HG1 VAL 8 -2.421 9.595 1.071 73 HG12 VAL 8 2HG1 VAL 8 -2.531 9.911 2.801 74 HG13 VAL 8 3HG1 VAL 8 -3.773 8.946 2.001 75 HG21 VAL 8 3HG2 VAL 8 -1.895 7.214 0.291 76 HG22 VAL 8 1HG2 VAL 8 -3.285 6.672 1.235 77 HG23 VAL 8 2HG2 VAL 8 -1.697 5.953 1.506 78 H TYR 9 H TYR 9 -0.541 6.916 4.502 79 HA TYR 9 HA TYR 9 1.511 5.031 3.614 80 HB2 TYR 9 2HB TYR 9 1.087 6.209 6.359 81 HB3 TYR 9 1HB TYR 9 2.049 4.762 6.080 82 HD1 TYR 9 1HD TYR 9 1.835 8.398 5.452 83 HD2 TYR 9 2HD TYR 9 4.274 4.925 5.242 84 HE1 TYR 9 1HE TYR 9 3.811 9.812 5.046 85 HE2 TYR 9 2HE TYR 9 6.248 6.319 4.841 86 HH TYR 9 HH TYR 9 6.319 9.583 5.390 87 H ILE 10 H ILE 10 1.075 2.956 3.906 88 HA ILE 10 HA ILE 10 -1.625 2.351 4.821 89 HB ILE 10 HB ILE 10 0.430 0.457 3.635 90 HG12 ILE 10 2HG1 ILE 10 -0.160 2.049 1.937 91 HG13 ILE 10 1HG1 ILE 10 -1.006 0.552 1.580 92 HG21 ILE 10 1HG2 ILE 10 -1.156 -0.746 4.994 93 HG22 ILE 10 2HG2 ILE 10 -1.441 -1.095 3.288 94 HG23 ILE 10 3HG2 ILE 10 -2.503 0.019 4.153 95 HD11 ILE 10 3HD1 ILE 10 -2.172 3.031 2.819 96 HD12 ILE 10 1HD1 ILE 10 -3.049 1.520 2.575 97 HD13 ILE 10 2HD1 ILE 10 -2.453 2.432 1.188 98 H ASP 11 H ASP 11 -2.054 1.496 6.688 99 HA ASP 11 HA ASP 11 0.031 1.436 8.633 100 HB2 ASP 11 2HB ASP 11 -2.136 2.328 9.305 101 HB3 ASP 11 1HB ASP 11 -2.910 0.796 8.910 102 H LEU 12 H LEU 12 1.329 -0.139 8.009 103 HA LEU 12 HA LEU 12 0.436 -2.874 7.945 104 HB2 LEU 12 2HB LEU 12 3.250 -1.895 8.427 105 HB3 LEU 12 1HB LEU 12 2.757 -3.431 7.756 106 HG LEU 12 HG LEU 12 2.651 -0.744 6.405 107 HD11 LEU 12 1HD1 LEU 12 4.311 -3.193 5.909 108 HD12 LEU 12 2HD1 LEU 12 4.861 -1.638 6.528 109 HD13 LEU 12 3HD1 LEU 12 4.274 -1.769 4.867 110 HD21 LEU 12 3HD2 LEU 12 1.899 -2.024 4.374 111 HD22 LEU 12 1HD2 LEU 12 0.712 -2.022 5.684 112 HD23 LEU 12 2HD2 LEU 12 1.723 -3.433 5.402 113 H ASN 13 H ASN 13 2.047 -0.620 10.025 114 HA ASN 13 HA ASN 13 2.085 -0.203 12.251 115 HB2 ASN 13 2HB ASN 13 -0.364 -1.069 12.002 116 HB3 ASN 13 1HB ASN 13 0.245 -2.525 12.776 117 HD21 ASN 13 1HD2 ASN 13 -0.617 0.725 13.136 118 HD22 ASN 13 2HD2 ASN 13 -0.527 0.848 14.858 119 H ASN 14 H ASN 14 3.372 -2.721 10.837 120 HA ASN 14 HA ASN 14 4.214 -4.268 13.138 121 HB2 ASN 14 2HB ASN 14 5.119 -5.847 11.507 122 HB3 ASN 14 1HB ASN 14 3.472 -5.426 11.074 123 HD21 ASN 14 1HD2 ASN 14 5.249 -6.574 9.323 124 HD22 ASN 14 2HD2 ASN 14 5.601 -5.499 8.047 125 H GLY 15 H GLY 15 5.087 -1.501 12.562 126 HA2 GLY 15 2HA GLY 15 7.076 -0.563 13.516 127 HA3 GLY 15 1HA GLY 15 7.967 -1.961 12.931 128 H LYS 16 H LYS 16 6.273 -1.474 10.353 129 HA LYS 16 HA LYS 16 7.749 0.818 9.385 130 HB2 LYS 16 2HB LYS 16 8.344 -0.420 7.309 131 HB3 LYS 16 1HB LYS 16 9.124 -1.081 8.735 132 HG2 LYS 16 2HG LYS 16 7.321 -2.823 8.788 133 HG3 LYS 16 1HG LYS 16 6.797 -2.217 7.217 134 HD2 LYS 16 2HD LYS 16 8.981 -2.726 6.271 135 HD3 LYS 16 1HD LYS 16 9.553 -3.282 7.850 136 HE2 LYS 16 2HE LYS 16 7.705 -4.962 7.826 137 HE3 LYS 16 1HE LYS 16 7.367 -4.485 6.166 138 HZ1 LYS 16 3HZ LYS 16 9.907 -5.641 7.166 139 HZ2 LYS 16 1HZ LYS 16 9.630 -5.291 5.541 140 HZ3 LYS 16 2HZ LYS 16 8.731 -6.468 6.313 141 H TYR 17 H TYR 17 6.835 1.656 7.422 142 HA TYR 17 HA TYR 17 4.037 0.913 7.004 143 HB2 TYR 17 2HB TYR 17 5.165 3.648 7.586 144 HB3 TYR 17 1HB TYR 17 3.692 3.455 6.651 145 HD1 TYR 17 2HD TYR 17 5.177 2.468 9.951 146 HD2 TYR 17 1HD TYR 17 1.667 3.387 7.743 147 HE1 TYR 17 2HE TYR 17 3.839 2.345 12.017 148 HE2 TYR 17 1HE TYR 17 0.340 3.269 9.790 149 HH TYR 17 HH TYR 17 0.428 2.264 11.912 150 H VAL 18 H VAL 18 3.348 1.205 4.901 151 HA VAL 18 HA VAL 18 5.531 1.692 3.029 152 HB VAL 18 HB VAL 18 4.515 -0.510 2.685 153 HG11 VAL 18 1HG1 VAL 18 1.924 0.936 2.360 154 HG12 VAL 18 2HG1 VAL 18 2.391 -0.088 3.723 155 HG13 VAL 18 3HG1 VAL 18 2.178 -0.793 2.116 156 HG21 VAL 18 3HG2 VAL 18 3.769 -0.344 0.358 157 HG22 VAL 18 1HG2 VAL 18 5.201 0.642 0.661 158 HG23 VAL 18 2HG2 VAL 18 3.614 1.404 0.539 159 H LYS 19 H LYS 19 5.443 3.265 1.569 160 HA LYS 19 HA LYS 19 3.361 5.243 2.065 161 HB2 LYS 19 2HB LYS 19 5.794 5.787 2.409 162 HB3 LYS 19 1HB LYS 19 6.017 5.595 0.677 163 HG2 LYS 19 2HG LYS 19 4.566 7.453 0.232 164 HG3 LYS 19 1HG LYS 19 4.138 7.582 1.944 165 HD2 LYS 19 2HD LYS 19 6.577 7.954 2.417 166 HD3 LYS 19 1HD LYS 19 6.819 8.072 0.675 167 HE2 LYS 19 2HE LYS 19 5.350 9.980 0.558 168 HE3 LYS 19 1HE LYS 19 4.956 9.823 2.272 169 HZ1 LYS 19 3HZ LYS 19 7.623 10.432 1.143 170 HZ2 LYS 19 1HZ LYS 19 7.290 10.254 2.778 171 HZ3 LYS 19 2HZ LYS 19 6.623 11.543 1.921 172 H VAL 20 H VAL 20 1.833 5.397 0.625 173 HA VAL 20 HA VAL 20 2.434 4.545 -2.092 174 HB VAL 20 HB VAL 20 1.049 2.852 -0.946 175 HG11 VAL 20 1HG1 VAL 20 -0.093 4.202 0.663 176 HG12 VAL 20 2HG1 VAL 20 -1.264 3.321 -0.324 177 HG13 VAL 20 3HG1 VAL 20 -0.975 5.035 -0.618 178 HG21 VAL 20 3HG2 VAL 20 -0.439 4.342 -3.111 179 HG22 VAL 20 1HG2 VAL 20 -0.790 2.691 -2.595 180 HG23 VAL 20 2HG2 VAL 20 0.760 3.067 -3.339 181 H ARG 21 H ARG 21 1.734 5.758 -3.651 182 HA ARG 21 HA ARG 21 0.640 8.375 -2.996 183 HB2 ARG 21 2HB ARG 21 2.707 8.399 -4.224 184 HB3 ARG 21 1HB ARG 21 2.065 7.287 -5.416 185 HG2 ARG 21 2HG ARG 21 0.565 8.974 -6.245 186 HG3 ARG 21 1HG ARG 21 1.065 10.089 -4.967 187 HD2 ARG 21 2HD ARG 21 3.321 10.113 -5.815 188 HD3 ARG 21 1HD ARG 21 2.910 8.904 -7.026 189 HE ARG 21 HE ARG 21 1.881 10.490 -8.270 190 HH11 ARG 21 1HH1 ARG 21 2.690 11.970 -5.149 191 HH12 ARG 21 2HH1 ARG 21 2.629 13.549 -5.764 192 HH21 ARG 21 1HH2 ARG 21 1.789 12.629 -9.022 193 HH22 ARG 21 2HH2 ARG 21 2.085 13.946 -7.960 194 H ILE 22 H ILE 22 -1.424 8.667 -3.305 195 HA ILE 22 HA ILE 22 -2.910 6.851 -5.071 196 HB ILE 22 HB ILE 22 -4.003 8.784 -3.014 197 HG12 ILE 22 2HG1 ILE 22 -2.651 7.145 -1.825 198 HG13 ILE 22 1HG1 ILE 22 -4.352 6.838 -1.525 199 HG21 ILE 22 1HG2 ILE 22 -5.319 6.473 -4.433 200 HG22 ILE 22 2HG2 ILE 22 -5.618 8.192 -4.707 201 HG23 ILE 22 3HG2 ILE 22 -6.068 7.457 -3.172 202 HD11 ILE 22 3HD1 ILE 22 -4.290 4.998 -3.128 203 HD12 ILE 22 1HD1 ILE 22 -3.110 4.783 -1.838 204 HD13 ILE 22 2HD1 ILE 22 -2.584 5.326 -3.431 205 H LEU 23 H LEU 23 -2.851 7.779 -7.089 206 HA LEU 23 HA LEU 23 -3.073 10.620 -7.496 207 HB2 LEU 23 2HB LEU 23 -3.318 8.286 -9.387 208 HB3 LEU 23 1HB LEU 23 -3.381 9.960 -9.888 209 HG LEU 23 HG LEU 23 -0.988 8.629 -8.615 210 HD11 LEU 23 1HD1 LEU 23 -1.561 9.375 -11.488 211 HD12 LEU 23 2HD1 LEU 23 -1.452 7.735 -10.846 212 HD13 LEU 23 3HD1 LEU 23 -0.027 8.771 -10.873 213 HD21 LEU 23 3HD2 LEU 23 -1.186 11.025 -8.198 214 HD22 LEU 23 1HD2 LEU 23 -1.323 11.331 -9.922 215 HD23 LEU 23 2HD2 LEU 23 0.177 10.666 -9.261 216 H LYS 24 H LYS 24 -4.927 11.569 -7.056 217 HA LYS 24 HA LYS 24 -7.405 10.057 -7.358 218 HB2 LYS 24 2HB LYS 24 -7.098 11.423 -5.322 219 HB3 LYS 24 1HB LYS 24 -6.910 12.859 -6.314 220 HG2 LYS 24 2HG LYS 24 -9.250 12.460 -7.162 221 HG3 LYS 24 1HG LYS 24 -9.400 11.204 -5.934 222 HD2 LYS 24 2HD LYS 24 -8.728 14.091 -5.374 223 HD3 LYS 24 1HD LYS 24 -10.341 13.400 -5.243 224 HE2 LYS 24 2HE LYS 24 -7.937 12.474 -3.661 225 HE3 LYS 24 1HE LYS 24 -9.132 13.625 -3.080 226 HZ1 LYS 24 3HZ LYS 24 -9.540 10.720 -3.653 227 HZ2 LYS 24 1HZ LYS 24 -10.827 11.818 -3.458 228 HZ3 LYS 24 2HZ LYS 24 -9.740 11.576 -2.226 229 H SER 25 H SER 25 -8.065 10.002 -9.437 230 HA SER 25 HA SER 25 -7.488 12.341 -11.042 231 HB2 SER 25 2HB SER 25 -8.529 9.672 -11.993 232 HB3 SER 25 1HB SER 25 -7.703 10.922 -12.935 233 HG SER 25 HG SER 25 -6.374 10.049 -10.724 234 H ARG 26 H ARG 26 -9.107 13.461 -9.818 235 HA ARG 26 HA ARG 26 -11.892 12.838 -10.218 236 HB2 ARG 26 2HB ARG 26 -10.981 14.095 -8.213 237 HB3 ARG 26 1HB ARG 26 -10.609 15.437 -9.272 238 HG2 ARG 26 2HG ARG 26 -13.414 14.405 -8.907 239 HG3 ARG 26 1HG ARG 26 -12.706 15.600 -7.829 240 HD2 ARG 26 2HD ARG 26 -12.416 17.136 -9.704 241 HD3 ARG 26 1HD ARG 26 -13.013 15.910 -10.818 242 HE ARG 26 HE ARG 26 -15.044 16.135 -9.122 243 HH11 ARG 26 1HH1 ARG 26 -13.195 18.655 -10.836 244 HH12 ARG 26 2HH1 ARG 26 -14.514 19.714 -10.966 245 HH21 ARG 26 1HH2 ARG 26 -16.835 17.614 -9.320 246 HH22 ARG 26 2HH2 ARG 26 -16.646 19.111 -10.104 247 H ASP 27 H ASP 27 -9.401 14.576 -11.754 248 HA ASP 27 HA ASP 27 -10.880 16.213 -13.534 249 HB2 ASP 27 2HB ASP 27 -8.735 16.418 -14.737 250 HB3 ASP 27 1HB ASP 27 -8.504 16.624 -13.008 251 H ASP 28 H ASP 28 -9.831 12.963 -13.498 252 HA ASP 28 HA ASP 28 -10.498 12.425 -16.272 253 HB2 ASP 28 2HB ASP 28 -8.605 11.236 -15.428 254 HB3 ASP 28 1HB ASP 28 -9.501 10.712 -14.009 255 H ASN 29 H ASN 29 -11.570 11.306 -13.099 256 HA ASN 29 HA ASN 29 -14.322 11.421 -13.763 257 HB2 ASN 29 2HB ASN 29 -13.893 9.370 -15.006 258 HB3 ASN 29 1HB ASN 29 -13.015 8.677 -13.660 259 HD21 ASN 29 1HD2 ASN 29 -16.134 10.374 -13.384 260 HD22 ASN 29 2HD2 ASN 29 -17.014 8.972 -12.937 261 H SER 30 H SER 30 -13.073 8.881 -11.744 262 HA SER 30 HA SER 30 -12.936 10.441 -9.325 263 HB2 SER 30 2HB SER 30 -14.973 8.188 -9.624 264 HB3 SER 30 1HB SER 30 -14.649 9.095 -8.150 265 HG SER 30 HG SER 30 -15.238 10.916 -9.883 266 H VAL 31 H VAL 31 -11.376 8.861 -11.127 267 HA VAL 31 HA VAL 31 -11.062 6.246 -9.934 268 HB VAL 31 HB VAL 31 -9.617 7.476 -12.298 269 HG11 VAL 31 1HG1 VAL 31 -8.262 5.741 -11.241 270 HG12 VAL 31 2HG1 VAL 31 -8.888 5.174 -12.793 271 HG13 VAL 31 3HG1 VAL 31 -9.629 4.630 -11.290 272 HG21 VAL 31 3HG2 VAL 31 -11.861 5.476 -12.169 273 HG22 VAL 31 1HG2 VAL 31 -11.024 5.985 -13.632 274 HG23 VAL 31 2HG2 VAL 31 -11.985 7.148 -12.713 275 H GLU 32 H GLU 32 -9.782 5.998 -8.300 276 HA GLU 32 HA GLU 32 -7.551 7.827 -8.040 277 HB2 GLU 32 2HB GLU 32 -8.856 6.056 -5.970 278 HB3 GLU 32 1HB GLU 32 -7.476 7.115 -5.674 279 HG2 GLU 32 2HG GLU 32 -8.845 9.046 -6.333 280 HG3 GLU 32 1HG GLU 32 -10.219 7.978 -6.550 281 H LYS 33 H LYS 33 -5.890 7.128 -8.931 282 HA LYS 33 HA LYS 33 -5.483 4.291 -9.294 283 HB2 LYS 33 2HB LYS 33 -3.989 6.647 -10.430 284 HB3 LYS 33 1HB LYS 33 -3.596 4.969 -10.769 285 HG2 LYS 33 2HG LYS 33 -5.923 4.717 -11.700 286 HG3 LYS 33 1HG LYS 33 -6.095 6.465 -11.529 287 HD2 LYS 33 2HD LYS 33 -3.904 5.127 -13.108 288 HD3 LYS 33 1HD LYS 33 -5.408 5.704 -13.815 289 HE2 LYS 33 2HE LYS 33 -3.486 7.473 -12.297 290 HE3 LYS 33 1HE LYS 33 -3.434 7.246 -14.043 291 HZ1 LYS 33 3HZ LYS 33 -4.656 9.223 -13.473 292 HZ2 LYS 33 1HZ LYS 33 -5.763 8.381 -12.536 293 HZ3 LYS 33 2HZ LYS 33 -5.670 8.121 -14.191 294 H TYR 34 H TYR 34 -4.389 3.223 -7.960 295 HA TYR 34 HA TYR 34 -2.694 4.482 -6.014 296 HB2 TYR 34 2HB TYR 34 -3.588 1.620 -6.459 297 HB3 TYR 34 1HB TYR 34 -2.455 2.079 -5.197 298 HD1 TYR 34 1HD TYR 34 -5.483 4.008 -6.201 299 HD2 TYR 34 2HD TYR 34 -3.725 1.441 -3.319 300 HE1 TYR 34 1HE TYR 34 -7.369 4.434 -4.692 301 HE2 TYR 34 2HE TYR 34 -5.611 1.866 -1.800 302 HH TYR 34 HH TYR 34 -8.466 3.309 -2.809 303 H VAL 35 H VAL 35 -0.571 4.520 -6.117 304 HA VAL 35 HA VAL 35 0.709 3.836 -8.534 305 HB VAL 35 HB VAL 35 1.416 5.691 -6.983 306 HG11 VAL 35 1HG1 VAL 35 2.965 5.161 -5.160 307 HG12 VAL 35 2HG1 VAL 35 2.581 3.447 -5.392 308 HG13 VAL 35 3HG1 VAL 35 1.319 4.576 -4.904 309 HG21 VAL 35 3HG2 VAL 35 3.577 3.764 -7.836 310 HG22 VAL 35 1HG2 VAL 35 3.837 5.458 -7.406 311 HG23 VAL 35 2HG2 VAL 35 2.863 5.045 -8.816 312 H LEU 36 H LEU 36 2.238 2.295 -8.944 313 HA LEU 36 HA LEU 36 1.662 -0.209 -7.816 314 HB2 LEU 36 2HB LEU 36 3.358 0.666 -10.106 315 HB3 LEU 36 1HB LEU 36 3.392 -0.984 -9.529 316 HG LEU 36 HG LEU 36 1.938 -0.847 -11.448 317 HD11 LEU 36 1HD1 LEU 36 1.264 -2.401 -9.728 318 HD12 LEU 36 2HD1 LEU 36 -0.123 -1.745 -10.587 319 HD13 LEU 36 3HD1 LEU 36 0.260 -1.160 -8.974 320 HD21 LEU 36 3HD2 LEU 36 -0.103 0.528 -11.468 321 HD22 LEU 36 1HD2 LEU 36 1.356 1.517 -11.388 322 HD23 LEU 36 2HD2 LEU 36 0.383 1.256 -9.940 323 H THR 37 H THR 37 3.707 1.985 -6.562 324 HA THR 37 HA THR 37 5.849 0.067 -6.123 325 HB THR 37 HB THR 37 6.518 2.404 -6.621 326 HG1 THR 37 1HG THR 37 7.998 2.598 -4.976 327 HG21 THR 37 3HG2 THR 37 6.202 4.181 -4.929 328 HG22 THR 37 1HG2 THR 37 5.178 3.091 -3.995 329 HG23 THR 37 2HG2 THR 37 4.675 3.630 -5.599 330 H SER 38 H SER 38 6.489 -0.571 -4.051 331 HA SER 38 HA SER 38 4.420 -0.406 -1.985 332 HB2 SER 38 2HB SER 38 5.972 -2.867 -2.810 333 HB3 SER 38 1HB SER 38 4.708 -2.784 -1.580 334 HG SER 38 HG SER 38 3.699 -1.723 -3.711 335 H HIS 39 H HIS 39 7.018 0.961 -2.432 336 HA HIS 39 HA HIS 39 8.942 -0.188 -0.714 337 HB2 HIS 39 2HB HIS 39 8.734 2.517 -1.944 338 HB3 HIS 39 1HB HIS 39 9.932 2.228 -0.689 339 HD1 HIS 39 1HD HIS 39 11.973 0.820 -1.294 340 HD2 HIS 39 2HD HIS 39 9.166 1.049 -4.345 341 HE1 HIS 39 1HE HIS 39 13.060 -0.204 -3.278 342 HE2 HIS 39 2HE HIS 39 11.248 -0.330 -4.992 343 H VAL 40 H VAL 40 9.307 -0.156 1.289 344 HA VAL 40 HA VAL 40 7.366 1.138 3.000 345 HB VAL 40 HB VAL 40 8.253 -0.299 4.815 346 HG11 VAL 40 1HG1 VAL 40 6.354 -1.051 3.538 347 HG12 VAL 40 2HG1 VAL 40 7.374 -2.426 3.958 348 HG13 VAL 40 3HG1 VAL 40 7.415 -1.758 2.322 349 HG21 VAL 40 3HG2 VAL 40 9.779 -2.157 4.270 350 HG22 VAL 40 1HG2 VAL 40 10.548 -0.590 4.011 351 HG23 VAL 40 2HG2 VAL 40 9.955 -1.518 2.637 352 H SER 41 H SER 41 7.966 2.206 4.855 353 HA SER 41 HA SER 41 10.644 3.355 4.889 354 HB2 SER 41 2HB SER 41 8.865 4.916 3.964 355 HB3 SER 41 1HB SER 41 8.033 4.773 5.511 356 HG SER 41 HG SER 41 10.387 6.034 4.821 357 H LYS 42 H LYS 42 11.266 3.904 7.070 358 HA LYS 42 HA LYS 42 10.072 2.121 9.050 359 HB2 LYS 42 2HB LYS 42 12.624 3.741 9.109 360 HB3 LYS 42 1HB LYS 42 12.112 2.614 10.360 361 HG2 LYS 42 2HG LYS 42 12.274 0.767 8.823 362 HG3 LYS 42 1HG LYS 42 12.645 1.862 7.494 363 HD2 LYS 42 2HD LYS 42 14.704 2.539 8.633 364 HD3 LYS 42 1HD LYS 42 14.329 1.433 9.958 365 HE2 LYS 42 2HE LYS 42 14.468 -0.458 8.466 366 HE3 LYS 42 1HE LYS 42 14.701 0.605 7.086 367 HZ1 LYS 42 3HZ LYS 42 16.798 -0.310 7.819 368 HZ2 LYS 42 1HZ LYS 42 16.595 0.333 9.368 369 HZ3 LYS 42 2HZ LYS 42 16.771 1.345 8.038 370 H ASN 43 H ASN 43 9.270 4.940 8.050 371 HA ASN 43 HA ASN 43 9.167 6.388 10.562 372 HB2 ASN 43 2HB ASN 43 8.168 7.115 7.803 373 HB3 ASN 43 1HB ASN 43 7.952 8.127 9.224 374 HD21 ASN 43 1HD2 ASN 43 10.155 7.021 6.814 375 HD22 ASN 43 2HD2 ASN 43 11.447 8.079 7.257 376 H ARG 44 H ARG 44 7.454 6.497 11.830 377 HA ARG 44 HA ARG 44 4.952 5.282 10.898 378 HB2 ARG 44 2HB ARG 44 5.937 5.627 13.749 379 HB3 ARG 44 1HB ARG 44 4.491 4.770 13.239 380 HG2 ARG 44 2HG ARG 44 5.852 3.073 12.148 381 HG3 ARG 44 1HG ARG 44 7.311 3.969 12.562 382 HD2 ARG 44 2HD ARG 44 5.373 2.709 14.496 383 HD3 ARG 44 1HD ARG 44 6.990 2.123 14.104 384 HE ARG 44 HE ARG 44 6.276 4.383 15.776 385 HH11 ARG 44 1HH1 ARG 44 8.964 2.739 14.094 386 HH12 ARG 44 2HH1 ARG 44 10.126 3.307 15.179 387 HH21 ARG 44 1HH2 ARG 44 7.931 5.125 17.224 388 HH22 ARG 44 2HH2 ARG 44 9.568 4.658 16.965 389 HA PRO 45 HA PRO 45 4.398 9.779 11.448 390 HB2 PRO 45 2HB PRO 45 2.721 9.854 9.144 391 HB3 PRO 45 1HB PRO 45 4.384 10.420 9.282 392 HG2 PRO 45 2HG PRO 45 3.580 8.262 7.744 393 HG3 PRO 45 1HG PRO 45 5.230 8.531 8.328 394 HD2 PRO 45 2HD PRO 45 3.090 6.753 9.418 395 HD3 PRO 45 1HD PRO 45 4.844 6.476 9.281 396 H LYS 46 H LYS 46 2.918 10.646 12.688 397 HA LYS 46 HA LYS 46 0.387 9.256 13.114 398 HB2 LYS 46 2HB LYS 46 1.417 11.693 14.563 399 HB3 LYS 46 1HB LYS 46 0.228 10.533 15.122 400 HG2 LYS 46 2HG LYS 46 3.186 10.040 14.769 401 HG3 LYS 46 1HG LYS 46 2.344 10.266 16.294 402 HD2 LYS 46 2HD LYS 46 1.672 8.010 14.412 403 HD3 LYS 46 1HD LYS 46 2.970 7.874 15.585 404 HE2 LYS 46 2HE LYS 46 0.999 6.852 16.469 405 HE3 LYS 46 1HE LYS 46 1.335 8.305 17.400 406 HZ1 LYS 46 3HZ LYS 46 -0.998 8.013 16.941 407 HZ2 LYS 46 1HZ LYS 46 -0.751 8.014 15.284 408 HZ3 LYS 46 2HZ LYS 46 -0.482 9.410 16.210 409 H ASN 47 H ASN 47 1.725 12.063 11.679 410 HA ASN 47 HA ASN 47 -0.703 13.610 11.577 411 HB2 ASN 47 2HB ASN 47 0.640 15.235 10.353 412 HB3 ASN 47 1HB ASN 47 1.474 14.718 11.815 413 HD21 ASN 47 1HD2 ASN 47 2.480 15.880 9.308 414 HD22 ASN 47 2HD2 ASN 47 3.667 14.773 8.713 415 H ALA 48 H ALA 48 0.793 11.221 9.684 416 HA ALA 48 HA ALA 48 -0.464 12.104 7.237 417 HB1 ALA 48 1HB ALA 48 0.701 10.272 6.164 418 HB2 ALA 48 2HB ALA 48 1.202 9.643 7.727 419 HB3 ALA 48 3HB ALA 48 1.831 11.192 7.157 420 H ILE 49 H ILE 49 -1.827 10.683 6.043 421 HA ILE 49 HA ILE 49 -3.765 9.425 7.769 422 HB ILE 49 HB ILE 49 -3.727 9.682 4.745 423 HG12 ILE 49 2HG1 ILE 49 -3.822 11.888 5.806 424 HG13 ILE 49 1HG1 ILE 49 -5.357 11.511 5.040 425 HG21 ILE 49 1HG2 ILE 49 -5.144 7.843 5.452 426 HG22 ILE 49 2HG2 ILE 49 -6.134 9.167 4.840 427 HG23 ILE 49 3HG2 ILE 49 -5.994 8.898 6.580 428 HD11 ILE 49 3HD1 ILE 49 -5.683 12.597 7.176 429 HD12 ILE 49 1HD1 ILE 49 -4.745 11.342 7.987 430 HD13 ILE 49 2HD1 ILE 49 -6.292 10.943 7.232 431 H VAL 50 H VAL 50 -3.731 7.352 8.237 432 HA VAL 50 HA VAL 50 -2.191 5.632 6.484 433 HB VAL 50 HB VAL 50 -1.936 4.051 8.366 434 HG11 VAL 50 1HG1 VAL 50 -0.939 6.844 8.851 435 HG12 VAL 50 2HG1 VAL 50 -0.145 5.561 7.929 436 HG13 VAL 50 3HG1 VAL 50 -0.325 5.412 9.674 437 HG21 VAL 50 3HG2 VAL 50 -3.902 4.672 9.697 438 HG22 VAL 50 1HG2 VAL 50 -3.173 6.239 10.046 439 HG23 VAL 50 2HG2 VAL 50 -2.431 4.765 10.671 440 H ILE 51 H ILE 51 -3.084 4.065 5.481 441 HA ILE 51 HA ILE 51 -5.946 3.573 5.915 442 HB ILE 51 HB ILE 51 -4.223 2.949 3.493 443 HG12 ILE 51 2HG1 ILE 51 -6.196 5.195 3.967 444 HG13 ILE 51 1HG1 ILE 51 -4.461 5.348 3.793 445 HG21 ILE 51 1HG2 ILE 51 -6.114 1.424 3.680 446 HG22 ILE 51 2HG2 ILE 51 -6.342 2.530 2.322 447 HG23 ILE 51 3HG2 ILE 51 -7.220 2.791 3.828 448 HD11 ILE 51 3HD1 ILE 51 -4.598 4.601 1.474 449 HD12 ILE 51 1HD1 ILE 51 -5.602 6.025 1.753 450 HD13 ILE 51 2HD1 ILE 51 -6.344 4.431 1.631 451 H LYS 52 H LYS 52 -6.654 1.517 6.329 452 HA LYS 52 HA LYS 52 -4.790 -0.398 7.384 453 HB2 LYS 52 2HB LYS 52 -7.018 0.012 8.370 454 HB3 LYS 52 1HB LYS 52 -7.764 -0.493 6.871 455 HG2 LYS 52 2HG LYS 52 -6.923 -2.760 7.209 456 HG3 LYS 52 1HG LYS 52 -6.183 -2.247 8.731 457 HD2 LYS 52 2HD LYS 52 -8.348 -1.652 9.628 458 HD3 LYS 52 1HD LYS 52 -9.119 -2.034 8.091 459 HE2 LYS 52 2HE LYS 52 -8.428 -4.374 8.340 460 HE3 LYS 52 1HE LYS 52 -7.695 -3.980 9.895 461 HZ1 LYS 52 3HZ LYS 52 -9.941 -4.935 10.094 462 HZ2 LYS 52 1HZ LYS 52 -10.566 -3.635 9.236 463 HZ3 LYS 52 2HZ LYS 52 -9.871 -3.349 10.725 464 H MET 53 H MET 53 -4.178 -2.362 6.432 465 HA MET 53 HA MET 53 -3.811 -2.696 3.734 466 HB2 MET 53 2HB MET 53 -4.157 -4.792 5.840 467 HB3 MET 53 1HB MET 53 -3.794 -5.211 4.181 468 HG2 MET 53 2HG MET 53 -1.706 -3.859 4.408 469 HG3 MET 53 1HG MET 53 -2.082 -3.680 6.124 470 HE1 MET 53 3HE MET 53 0.783 -6.499 6.024 471 HE2 MET 53 1HE MET 53 0.387 -4.889 6.640 472 HE3 MET 53 2HE MET 53 0.625 -5.146 4.909 473 H ASP 54 H ASP 54 -6.566 -3.550 5.586 474 HA ASP 54 HA ASP 54 -7.812 -5.350 3.820 475 HB2 ASP 54 2HB ASP 54 -8.237 -5.200 6.246 476 HB3 ASP 54 1HB ASP 54 -9.084 -3.684 5.983 477 H ASN 55 H ASN 55 -7.633 -1.914 3.716 478 HA ASN 55 HA ASN 55 -10.124 -1.662 2.200 479 HB2 ASN 55 2HB ASN 55 -9.565 -0.016 3.990 480 HB3 ASN 55 1HB ASN 55 -8.163 0.487 3.060 481 HD21 ASN 55 1HD2 ASN 55 -8.471 1.869 1.310 482 HD22 ASN 55 2HD2 ASN 55 -9.996 2.589 0.948 483 H LEU 56 H LEU 56 -6.985 -2.418 1.538 484 HA LEU 56 HA LEU 56 -6.713 -0.854 -0.865 485 HB2 LEU 56 2HB LEU 56 -4.994 -3.016 0.337 486 HB3 LEU 56 1HB LEU 56 -4.673 -2.343 -1.239 487 HG LEU 56 HG LEU 56 -3.179 -1.362 0.356 488 HD11 LEU 56 1HD1 LEU 56 -5.301 0.627 -0.298 489 HD12 LEU 56 2HD1 LEU 56 -4.041 0.088 -1.406 490 HD13 LEU 56 3HD1 LEU 56 -3.611 0.981 0.059 491 HD21 LEU 56 3HD2 LEU 56 -3.831 -0.220 2.310 492 HD22 LEU 56 1HD2 LEU 56 -4.641 -1.776 2.311 493 HD23 LEU 56 2HD2 LEU 56 -5.544 -0.320 1.881 494 HA PRO 57 HA PRO 57 -8.604 -3.802 -3.655 495 HB2 PRO 57 2HB PRO 57 -6.529 -2.841 -5.559 496 HB3 PRO 57 1HB PRO 57 -8.282 -2.875 -5.755 497 HG2 PRO 57 2HG PRO 57 -7.031 -0.579 -5.332 498 HG3 PRO 57 1HG PRO 57 -8.582 -0.916 -4.538 499 HD2 PRO 57 2HD PRO 57 -5.812 -1.054 -3.416 500 HD3 PRO 57 1HD PRO 57 -7.302 -0.402 -2.693 501 H ILE 58 H ILE 58 -7.975 -5.760 -4.806 502 HA ILE 58 HA ILE 58 -5.991 -7.143 -3.453 503 HB ILE 58 HB ILE 58 -6.274 -9.005 -5.160 504 HG12 ILE 58 2HG1 ILE 58 -8.494 -8.847 -6.459 505 HG13 ILE 58 1HG1 ILE 58 -8.377 -7.111 -6.231 506 HG21 ILE 58 1HG2 ILE 58 -8.444 -9.676 -4.292 507 HG22 ILE 58 2HG2 ILE 58 -8.687 -8.044 -3.683 508 HG23 ILE 58 3HG2 ILE 58 -7.379 -9.033 -3.036 509 HD11 ILE 58 3HD1 ILE 58 -7.591 -7.798 -8.424 510 HD12 ILE 58 1HD1 ILE 58 -6.384 -8.842 -7.676 511 HD13 ILE 58 2HD1 ILE 58 -6.283 -7.094 -7.472 512 H GLU 59 H GLU 59 -5.668 -5.376 -6.401 513 HA GLU 59 HA GLU 59 -3.269 -6.597 -7.221 514 HB2 GLU 59 2HB GLU 59 -2.942 -4.651 -8.673 515 HB3 GLU 59 1HB GLU 59 -4.606 -5.210 -8.743 516 HG2 GLU 59 2HG GLU 59 -5.293 -3.399 -7.277 517 HG3 GLU 59 1HG GLU 59 -3.619 -2.868 -7.140 518 H VAL 60 H VAL 60 -3.928 -3.911 -5.048 519 HA VAL 60 HA VAL 60 -1.201 -3.161 -4.733 520 HB VAL 60 HB VAL 60 -3.522 -2.567 -2.895 521 HG11 VAL 60 1HG1 VAL 60 -0.895 -1.136 -3.307 522 HG12 VAL 60 2HG1 VAL 60 -1.365 -2.089 -1.901 523 HG13 VAL 60 3HG1 VAL 60 -2.202 -0.580 -2.262 524 HG21 VAL 60 3HG2 VAL 60 -3.782 -0.452 -4.140 525 HG22 VAL 60 1HG2 VAL 60 -4.112 -1.867 -5.136 526 HG23 VAL 60 2HG2 VAL 60 -2.578 -1.010 -5.305 527 H LYS 61 H LYS 61 -3.558 -5.008 -2.859 528 HA LYS 61 HA LYS 61 -1.869 -5.642 -0.708 529 HB2 LYS 61 2HB LYS 61 -4.246 -7.164 -1.782 530 HB3 LYS 61 1HB LYS 61 -3.434 -7.569 -0.276 531 HG2 LYS 61 2HG LYS 61 -3.976 -5.314 0.577 532 HG3 LYS 61 1HG LYS 61 -4.866 -4.999 -0.911 533 HD2 LYS 61 2HD LYS 61 -5.496 -7.197 1.072 534 HD3 LYS 61 1HD LYS 61 -6.343 -5.657 0.962 535 HE2 LYS 61 2HE LYS 61 -6.959 -6.245 -1.385 536 HE3 LYS 61 1HE LYS 61 -6.229 -7.828 -1.129 537 HZ1 LYS 61 3HZ LYS 61 -8.509 -6.709 0.402 538 HZ2 LYS 61 1HZ LYS 61 -7.820 -8.224 0.654 539 HZ3 LYS 61 2HZ LYS 61 -8.620 -7.882 -0.785 540 H ASP 62 H ASP 62 -2.277 -7.188 -3.811 541 HA ASP 62 HA ASP 62 -0.715 -9.451 -3.382 542 HB2 ASP 62 2HB ASP 62 -2.016 -9.316 -5.382 543 HB3 ASP 62 1HB ASP 62 -1.205 -7.832 -5.874 544 H LYS 63 H LYS 63 0.252 -6.239 -4.559 545 HA LYS 63 HA LYS 63 2.969 -7.031 -4.713 546 HB2 LYS 63 2HB LYS 63 1.824 -4.249 -4.671 547 HB3 LYS 63 1HB LYS 63 3.516 -4.612 -4.945 548 HG2 LYS 63 2HG LYS 63 2.573 -6.123 -6.862 549 HG3 LYS 63 1HG LYS 63 1.155 -5.088 -6.704 550 HD2 LYS 63 2HD LYS 63 2.573 -4.163 -8.419 551 HD3 LYS 63 1HD LYS 63 2.663 -3.112 -7.004 552 HE2 LYS 63 2HE LYS 63 4.788 -4.137 -6.341 553 HE3 LYS 63 1HE LYS 63 4.682 -5.254 -7.701 554 HZ1 LYS 63 3HZ LYS 63 4.919 -3.413 -9.201 555 HZ2 LYS 63 1HZ LYS 63 6.178 -3.382 -8.080 556 HZ3 LYS 63 2HZ LYS 63 4.893 -2.313 -7.913 557 H LEU 64 H LEU 64 1.092 -5.465 -2.217 558 HA LEU 64 HA LEU 64 3.122 -4.782 -0.416 559 HB2 LEU 64 2HB LEU 64 0.359 -5.865 0.183 560 HB3 LEU 64 1HB LEU 64 1.404 -5.127 1.369 561 HG LEU 64 HG LEU 64 0.170 -3.720 -1.009 562 HD11 LEU 64 1HD1 LEU 64 -1.467 -4.288 0.725 563 HD12 LEU 64 2HD1 LEU 64 -1.171 -2.552 0.660 564 HD13 LEU 64 3HD1 LEU 64 -0.443 -3.520 1.938 565 HD21 LEU 64 3HD2 LEU 64 1.767 -2.608 1.289 566 HD22 LEU 64 1HD2 LEU 64 1.022 -1.671 -0.000 567 HD23 LEU 64 2HD2 LEU 64 2.355 -2.768 -0.372 568 H THR 65 H THR 65 1.322 -7.785 -0.763 569 HA THR 65 HA THR 65 2.521 -9.240 1.259 570 HB THR 65 HB THR 65 1.222 -10.160 -1.315 571 HG1 THR 65 1HG THR 65 -0.311 -9.141 -0.202 572 HG21 THR 65 3HG2 THR 65 2.533 -11.994 -0.343 573 HG22 THR 65 1HG2 THR 65 0.812 -12.298 -0.122 574 HG23 THR 65 2HG2 THR 65 1.782 -11.714 1.229 575 H ARG 66 H ARG 66 3.389 -9.025 -2.189 576 HA ARG 66 HA ARG 66 5.471 -10.972 -1.981 577 HB2 ARG 66 2HB ARG 66 5.067 -8.900 -4.134 578 HB3 ARG 66 1HB ARG 66 6.085 -10.324 -4.244 579 HG2 ARG 66 2HG ARG 66 4.090 -11.747 -4.054 580 HG3 ARG 66 1HG ARG 66 3.085 -10.299 -3.984 581 HD2 ARG 66 2HD ARG 66 4.032 -9.625 -6.179 582 HD3 ARG 66 1HD ARG 66 4.836 -11.189 -6.269 583 HE ARG 66 HE ARG 66 1.908 -10.905 -6.066 584 HH11 ARG 66 1HH1 ARG 66 4.711 -12.418 -7.586 585 HH12 ARG 66 2HH1 ARG 66 3.781 -13.238 -8.760 586 HH21 ARG 66 1HH2 ARG 66 0.686 -11.961 -7.620 587 HH22 ARG 66 2HH2 ARG 66 1.442 -12.953 -8.812 588 H PHE 67 H PHE 67 5.350 -7.546 -1.418 589 HA PHE 67 HA PHE 67 8.182 -7.190 -1.838 590 HB2 PHE 67 2HB PHE 67 6.507 -5.378 -2.359 591 HB3 PHE 67 1HB PHE 67 6.263 -5.197 -0.631 592 HD1 PHE 67 2HD PHE 67 8.007 -4.180 0.787 593 HD2 PHE 67 1HD PHE 67 8.546 -4.608 -3.414 594 HE1 PHE 67 2HE PHE 67 9.887 -2.609 0.871 595 HE2 PHE 67 1HE PHE 67 10.433 -3.031 -3.328 596 HZ PHE 67 HZ PHE 67 11.104 -2.031 -1.186 597 H PHE 68 H PHE 68 6.045 -6.907 1.009 598 HA PHE 68 HA PHE 68 8.514 -7.174 2.572 599 HB2 PHE 68 2HB PHE 68 7.491 -5.730 4.325 600 HB3 PHE 68 1HB PHE 68 7.829 -4.919 2.804 601 HD1 PHE 68 1HD PHE 68 5.147 -6.391 4.872 602 HD2 PHE 68 2HD PHE 68 6.111 -3.892 1.569 603 HE1 PHE 68 1HE PHE 68 2.821 -5.640 4.764 604 HE2 PHE 68 2HE PHE 68 3.802 -3.141 1.457 605 HZ PHE 68 HZ PHE 68 2.141 -4.016 3.053 606 H LEU 69 H LEU 69 5.372 -8.543 2.182 607 HA LEU 69 HA LEU 69 5.375 -9.585 4.871 608 HB2 LEU 69 2HB LEU 69 3.297 -9.189 3.367 609 HB3 LEU 69 1HB LEU 69 3.746 -10.693 2.581 610 HG LEU 69 HG LEU 69 3.601 -11.804 4.797 611 HD11 LEU 69 1HD1 LEU 69 2.359 -9.172 5.641 612 HD12 LEU 69 2HD1 LEU 69 3.863 -9.854 6.247 613 HD13 LEU 69 3HD1 LEU 69 2.335 -10.658 6.584 614 HD21 LEU 69 3HD2 LEU 69 1.778 -12.031 3.230 615 HD22 LEU 69 1HD2 LEU 69 1.097 -10.482 3.744 616 HD23 LEU 69 2HD2 LEU 69 1.124 -11.849 4.855 617 H LEU 70 H LEU 70 6.194 -10.563 1.684 618 HA LEU 70 HA LEU 70 7.573 -12.936 2.567 619 HB2 LEU 70 2HB LEU 70 6.951 -11.712 -0.111 620 HB3 LEU 70 1HB LEU 70 8.284 -12.828 0.034 621 HG LEU 70 HG LEU 70 6.284 -13.872 -0.858 622 HD11 LEU 70 1HD1 LEU 70 6.220 -15.808 0.611 623 HD12 LEU 70 2HD1 LEU 70 7.019 -14.882 1.880 624 HD13 LEU 70 3HD1 LEU 70 7.864 -15.224 0.368 625 HD21 LEU 70 3HD2 LEU 70 5.014 -13.280 1.816 626 HD22 LEU 70 1HD2 LEU 70 4.312 -14.277 0.540 627 HD23 LEU 70 2HD2 LEU 70 4.569 -12.550 0.274 628 H GLU 71 H GLU 71 8.786 -11.608 3.896 629 HA GLU 71 HA GLU 71 11.207 -10.585 2.543 630 HB2 GLU 71 2HB GLU 71 9.603 -8.760 3.458 631 HB3 GLU 71 1HB GLU 71 10.087 -9.317 5.047 632 HG2 GLU 71 2HG GLU 71 12.467 -8.814 4.377 633 HG3 GLU 71 1HG GLU 71 11.806 -8.041 2.936 634 H HIS 72 H HIS 72 12.991 -10.411 4.299 635 HA HIS 72 HA HIS 72 14.411 -11.413 5.536 636 HB2 HIS 72 2HB HIS 72 13.844 -12.162 7.868 637 HB3 HIS 72 1HB HIS 72 13.288 -10.553 7.467 638 HD1 HIS 72 1HD HIS 72 10.867 -10.080 7.846 639 HD2 HIS 72 2HD HIS 72 11.717 -14.127 8.119 640 HE1 HIS 72 1HE HIS 72 8.774 -11.150 8.750 641 HE2 HIS 72 2HE HIS 72 9.263 -13.610 8.722 642 H HIS 73 H HIS 73 14.560 -12.741 3.720 643 HA HIS 73 HA HIS 73 14.837 -15.495 4.649 644 HB2 HIS 73 2HB HIS 73 13.819 -14.693 1.890 645 HB3 HIS 73 1HB HIS 73 14.187 -16.324 2.412 646 HD1 HIS 73 1HD HIS 73 11.617 -13.767 2.381 647 HD2 HIS 73 2HD HIS 73 12.207 -17.455 4.155 648 HE1 HIS 73 1HE HIS 73 9.326 -14.519 3.169 649 HE2 HIS 73 2HE HIS 73 9.714 -16.888 3.813 650 H HIS 74 H HIS 74 16.066 -16.353 2.254 651 HA HIS 74 HA HIS 74 18.102 -14.320 1.723 652 HB2 HIS 74 2HB HIS 74 18.781 -16.177 3.392 653 HB3 HIS 74 1HB HIS 74 18.744 -17.255 1.998 654 HD1 HIS 74 1HD HIS 74 20.869 -17.396 0.730 655 HD2 HIS 74 2HD HIS 74 20.617 -13.933 2.982 656 HE1 HIS 74 1HE HIS 74 23.088 -16.279 0.486 657 HE2 HIS 74 2HE HIS 74 22.998 -14.469 2.199 658 H HIS 75 H HIS 75 15.716 -15.195 0.434 659 HA HIS 75 HA HIS 75 16.493 -16.822 -1.883 660 HB2 HIS 75 2HB HIS 75 14.327 -17.200 -0.694 661 HB3 HIS 75 1HB HIS 75 13.818 -15.592 -1.175 662 HD1 HIS 75 1HD HIS 75 13.616 -19.037 -2.180 663 HD2 HIS 75 2HD HIS 75 13.611 -15.389 -4.145 664 HE1 HIS 75 1HE HIS 75 12.673 -19.489 -4.451 665 HE2 HIS 75 2HE HIS 75 13.111 -17.389 -5.684 666 H HIS 76 H HIS 76 15.413 -13.600 -1.069 667 HA HIS 76 HA HIS 76 16.687 -12.103 -2.958 668 HB2 HIS 76 2HB HIS 76 15.056 -13.332 -4.591 669 HB3 HIS 76 1HB HIS 76 13.760 -12.489 -3.757 670 HD1 HIS 76 1HD HIS 76 14.880 -12.230 -6.865 671 HD2 HIS 76 2HD HIS 76 15.139 -9.452 -3.778 672 HE1 HIS 76 1HE HIS 76 15.130 -10.029 -7.969 673 HE2 HIS 76 2HE HIS 76 15.531 -8.408 -6.110 674 H HIS 77 H HIS 77 13.551 -12.630 -1.475 675 HA HIS 77 HA HIS 77 13.948 -10.210 0.115 676 HB2 HIS 77 2HB HIS 77 11.429 -11.532 -0.876 677 HB3 HIS 77 1HB HIS 77 11.408 -10.490 0.526 678 HD1 HIS 77 1HD HIS 77 9.653 -9.542 -1.549 679 HD2 HIS 77 2HD HIS 77 13.702 -8.646 -1.634 680 HE1 HIS 77 1HE HIS 77 9.856 -7.473 -2.943 681 HE2 HIS 77 2HE HIS 77 12.257 -6.802 -2.689 Start of MODEL 6 1 H1 MET 1 1HT MET 1 -1.980 22.992 -11.185 2 H2 MET 1 2HT MET 1 -3.558 22.494 -10.817 3 H3 MET 1 3HT MET 1 -2.528 21.466 -11.623 4 HA MET 1 HA MET 1 -1.103 21.211 -9.828 5 HB2 MET 1 2HB MET 1 -2.960 23.114 -8.395 6 HB3 MET 1 1HB MET 1 -1.774 22.118 -7.572 7 HG2 MET 1 2HG MET 1 -1.210 24.250 -9.615 8 HG3 MET 1 1HG MET 1 -0.948 24.374 -7.873 9 HE1 MET 1 2HE MET 1 1.281 25.113 -9.971 10 HE2 MET 1 3HE MET 1 2.691 24.326 -9.264 11 HE3 MET 1 1HE MET 1 1.536 25.159 -8.225 12 H LEU 2 H LEU 2 -4.362 21.623 -8.414 13 HA LEU 2 HA LEU 2 -6.033 20.215 -7.962 14 HB2 LEU 2 2HB LEU 2 -5.937 19.446 -10.232 15 HB3 LEU 2 1HB LEU 2 -4.616 18.363 -9.865 16 HG LEU 2 HG LEU 2 -6.177 17.085 -8.387 17 HD11 LEU 2 1HD1 LEU 2 -8.575 17.394 -8.704 18 HD12 LEU 2 2HD1 LEU 2 -8.260 18.835 -9.669 19 HD13 LEU 2 3HD1 LEU 2 -7.819 18.802 -7.961 20 HD21 LEU 2 3HD2 LEU 2 -5.633 16.330 -10.630 21 HD22 LEU 2 1HD2 LEU 2 -6.929 17.321 -11.290 22 HD23 LEU 2 2HD2 LEU 2 -7.309 15.959 -10.232 23 H LYS 3 H LYS 3 -2.910 18.676 -7.830 24 HA LYS 3 HA LYS 3 -1.894 17.247 -6.499 25 HB2 LYS 3 2HB LYS 3 -4.078 17.868 -4.481 26 HB3 LYS 3 1HB LYS 3 -2.677 16.864 -4.132 27 HG2 LYS 3 2HG LYS 3 -1.198 18.745 -4.563 28 HG3 LYS 3 1HG LYS 3 -2.592 19.754 -4.954 29 HD2 LYS 3 2HD LYS 3 -3.421 19.477 -2.656 30 HD3 LYS 3 1HD LYS 3 -2.035 18.455 -2.287 31 HE2 LYS 3 2HE LYS 3 -1.729 20.758 -1.487 32 HE3 LYS 3 1HE LYS 3 -0.518 20.296 -2.681 33 HZ1 LYS 3 3HZ LYS 3 -1.702 21.571 -4.340 34 HZ2 LYS 3 1HZ LYS 3 -1.368 22.538 -3.031 35 HZ3 LYS 3 2HZ LYS 3 -2.932 21.978 -3.276 36 H HIS 4 H HIS 4 -2.526 16.045 -8.229 37 HA HIS 4 HA HIS 4 -4.750 14.243 -8.078 38 HB2 HIS 4 2HB HIS 4 -3.975 15.145 -10.245 39 HB3 HIS 4 1HB HIS 4 -2.418 14.379 -10.008 40 HD1 HIS 4 1HD HIS 4 -2.218 12.463 -11.564 41 HD2 HIS 4 2HD HIS 4 -6.089 12.831 -10.110 42 HE1 HIS 4 1HE HIS 4 -3.510 10.559 -12.573 43 HE2 HIS 4 2HE HIS 4 -5.792 10.708 -11.562 44 H GLY 5 H GLY 5 -1.585 14.249 -6.868 45 HA2 GLY 5 2HA GLY 5 -1.981 11.503 -6.075 46 HA3 GLY 5 1HA GLY 5 -0.446 11.911 -6.867 47 H LYS 6 H LYS 6 -1.905 11.481 -4.001 48 HA LYS 6 HA LYS 6 -0.079 13.338 -2.614 49 HB2 LYS 6 2HB LYS 6 -1.630 13.283 -0.718 50 HB3 LYS 6 1HB LYS 6 -2.442 13.839 -2.172 51 HG2 LYS 6 2HG LYS 6 -3.450 11.628 -2.462 52 HG3 LYS 6 1HG LYS 6 -2.611 11.050 -1.024 53 HD2 LYS 6 2HD LYS 6 -4.878 11.567 -0.429 54 HD3 LYS 6 1HD LYS 6 -3.819 12.782 0.293 55 HE2 LYS 6 2HE LYS 6 -4.377 14.337 -1.513 56 HE3 LYS 6 1HE LYS 6 -5.408 13.113 -2.254 57 HZ1 LYS 6 3HZ LYS 6 -6.784 13.186 -0.193 58 HZ2 LYS 6 1HZ LYS 6 -6.718 14.655 -1.018 59 HZ3 LYS 6 2HZ LYS 6 -5.808 14.425 0.376 60 H TYR 7 H TYR 7 1.073 12.484 -0.824 61 HA TYR 7 HA TYR 7 1.281 9.583 -0.924 62 HB2 TYR 7 2HB TYR 7 3.218 11.688 -0.002 63 HB3 TYR 7 1HB TYR 7 3.432 9.982 0.371 64 HD1 TYR 7 2HD TYR 7 3.958 8.390 -1.363 65 HD2 TYR 7 1HD TYR 7 3.511 12.515 -2.274 66 HE1 TYR 7 2HE TYR 7 5.022 8.014 -3.536 67 HE2 TYR 7 1HE TYR 7 4.567 12.150 -4.459 68 HH TYR 7 HH TYR 7 6.118 10.499 -5.475 69 H VAL 8 H VAL 8 0.467 8.417 0.550 70 HA VAL 8 HA VAL 8 0.351 9.388 3.293 71 HB VAL 8 HB VAL 8 -1.822 8.352 3.685 72 HG11 VAL 8 1HG1 VAL 8 -1.928 10.653 3.016 73 HG12 VAL 8 2HG1 VAL 8 -3.320 9.781 2.368 74 HG13 VAL 8 3HG1 VAL 8 -1.966 10.192 1.316 75 HG21 VAL 8 3HG2 VAL 8 -1.716 6.506 2.117 76 HG22 VAL 8 1HG2 VAL 8 -1.841 7.628 0.762 77 HG23 VAL 8 2HG2 VAL 8 -3.201 7.426 1.867 78 H TYR 9 H TYR 9 -0.434 7.089 4.552 79 HA TYR 9 HA TYR 9 1.526 5.163 3.531 80 HB2 TYR 9 2HB TYR 9 1.039 5.960 6.393 81 HB3 TYR 9 1HB TYR 9 2.020 4.591 5.905 82 HD1 TYR 9 2HD TYR 9 1.762 8.276 5.754 83 HD2 TYR 9 1HD TYR 9 4.302 4.897 5.315 84 HE1 TYR 9 2HE TYR 9 3.707 9.764 5.678 85 HE2 TYR 9 1HE TYR 9 6.263 6.382 5.243 86 HH TYR 9 HH TYR 9 6.029 9.686 6.096 87 H ILE 10 H ILE 10 1.060 3.040 3.876 88 HA ILE 10 HA ILE 10 -1.735 2.497 4.539 89 HB ILE 10 HB ILE 10 0.341 0.671 3.293 90 HG12 ILE 10 2HG1 ILE 10 -0.322 2.336 1.701 91 HG13 ILE 10 1HG1 ILE 10 -1.102 0.823 1.257 92 HG21 ILE 10 1HG2 ILE 10 -1.468 -0.923 2.869 93 HG22 ILE 10 2HG2 ILE 10 -2.570 0.099 3.792 94 HG23 ILE 10 3HG2 ILE 10 -1.193 -0.659 4.593 95 HD11 ILE 10 3HD1 ILE 10 -3.144 1.690 2.468 96 HD12 ILE 10 1HD1 ILE 10 -2.713 2.546 0.975 97 HD13 ILE 10 2HD1 ILE 10 -2.315 3.239 2.540 98 H ASP 11 H ASP 11 -2.296 1.570 6.342 99 HA ASP 11 HA ASP 11 -0.354 1.264 8.407 100 HB2 ASP 11 2HB ASP 11 -2.550 2.093 9.052 101 HB3 ASP 11 1HB ASP 11 -3.324 0.639 8.445 102 H LEU 12 H LEU 12 1.001 -0.232 7.910 103 HA LEU 12 HA LEU 12 0.165 -2.971 7.490 104 HB2 LEU 12 2HB LEU 12 2.902 -1.924 8.201 105 HB3 LEU 12 1HB LEU 12 2.522 -3.478 7.492 106 HG LEU 12 HG LEU 12 2.294 -0.794 6.150 107 HD11 LEU 12 1HD1 LEU 12 4.582 -1.537 6.439 108 HD12 LEU 12 2HD1 LEU 12 4.104 -1.617 4.743 109 HD13 LEU 12 3HD1 LEU 12 4.184 -3.092 5.706 110 HD21 LEU 12 3HD2 LEU 12 1.790 -2.110 4.115 111 HD22 LEU 12 1HD2 LEU 12 0.541 -2.258 5.352 112 HD23 LEU 12 2HD2 LEU 12 1.695 -3.562 5.114 113 H ASN 13 H ASN 13 1.497 -0.887 9.905 114 HA ASN 13 HA ASN 13 1.409 -0.766 12.148 115 HB2 ASN 13 2HB ASN 13 -1.013 -1.467 11.626 116 HB3 ASN 13 1HB ASN 13 -0.537 -3.063 12.197 117 HD21 ASN 13 1HD2 ASN 13 -1.154 0.200 13.039 118 HD22 ASN 13 2HD2 ASN 13 -1.176 -0.003 14.761 119 H ASN 14 H ASN 14 2.943 -3.084 10.663 120 HA ASN 14 HA ASN 14 3.537 -4.620 13.078 121 HB2 ASN 14 2HB ASN 14 4.698 -6.270 11.692 122 HB3 ASN 14 1HB ASN 14 3.078 -5.996 11.085 123 HD21 ASN 14 1HD2 ASN 14 2.822 -5.213 9.049 124 HD22 ASN 14 2HD2 ASN 14 4.127 -4.972 7.945 125 H GLY 15 H GLY 15 4.443 -1.879 12.489 126 HA2 GLY 15 2HA GLY 15 6.333 -0.911 13.591 127 HA3 GLY 15 1HA GLY 15 7.266 -2.341 13.169 128 H LYS 16 H LYS 16 5.854 -1.942 10.419 129 HA LYS 16 HA LYS 16 7.453 0.294 9.480 130 HB2 LYS 16 2HB LYS 16 8.133 -1.012 7.482 131 HB3 LYS 16 1HB LYS 16 8.753 -1.719 8.959 132 HG2 LYS 16 2HG LYS 16 6.817 -3.348 8.854 133 HG3 LYS 16 1HG LYS 16 6.502 -2.727 7.234 134 HD2 LYS 16 2HD LYS 16 8.795 -3.355 6.561 135 HD3 LYS 16 1HD LYS 16 9.085 -3.994 8.178 136 HE2 LYS 16 2HE LYS 16 7.156 -5.566 7.800 137 HE3 LYS 16 1HE LYS 16 7.110 -5.005 6.134 138 HZ1 LYS 16 3HZ LYS 16 8.399 -7.027 6.211 139 HZ2 LYS 16 1HZ LYS 16 9.349 -6.437 7.464 140 HZ3 LYS 16 2HZ LYS 16 9.490 -5.795 5.946 141 H TYR 17 H TYR 17 6.608 1.267 7.582 142 HA TYR 17 HA TYR 17 3.828 0.601 6.941 143 HB2 TYR 17 2HB TYR 17 4.927 3.255 7.864 144 HB3 TYR 17 1HB TYR 17 3.510 3.181 6.828 145 HD1 TYR 17 2HD TYR 17 4.789 1.809 10.080 146 HD2 TYR 17 1HD TYR 17 1.431 3.067 7.801 147 HE1 TYR 17 2HE TYR 17 3.337 1.492 12.041 148 HE2 TYR 17 1HE TYR 17 -0.015 2.760 9.758 149 HH TYR 17 HH TYR 17 -0.074 1.536 11.765 150 H VAL 18 H VAL 18 3.247 1.169 4.822 151 HA VAL 18 HA VAL 18 5.562 1.714 3.127 152 HB VAL 18 HB VAL 18 4.455 -0.383 2.538 153 HG11 VAL 18 1HG1 VAL 18 1.961 1.229 2.183 154 HG12 VAL 18 2HG1 VAL 18 2.280 0.044 3.458 155 HG13 VAL 18 3HG1 VAL 18 2.145 -0.480 1.778 156 HG21 VAL 18 3HG2 VAL 18 5.343 0.878 0.664 157 HG22 VAL 18 1HG2 VAL 18 3.819 1.752 0.508 158 HG23 VAL 18 2HG2 VAL 18 3.880 0.020 0.182 159 H LYS 19 H LYS 19 5.623 3.396 1.758 160 HA LYS 19 HA LYS 19 3.641 5.467 2.254 161 HB2 LYS 19 2HB LYS 19 6.062 5.972 2.539 162 HB3 LYS 19 1HB LYS 19 6.314 5.605 0.841 163 HG2 LYS 19 2HG LYS 19 4.853 7.448 0.224 164 HG3 LYS 19 1HG LYS 19 4.593 7.820 1.932 165 HD2 LYS 19 2HD LYS 19 7.002 8.207 2.190 166 HD3 LYS 19 1HD LYS 19 7.229 7.891 0.468 167 HE2 LYS 19 2HE LYS 19 5.772 9.777 -0.059 168 HE3 LYS 19 1HE LYS 19 5.552 10.088 1.662 169 HZ1 LYS 19 3HZ LYS 19 7.945 10.506 1.821 170 HZ2 LYS 19 1HZ LYS 19 7.205 11.553 0.738 171 HZ3 LYS 19 2HZ LYS 19 8.110 10.263 0.167 172 H VAL 20 H VAL 20 2.053 5.610 0.863 173 HA VAL 20 HA VAL 20 2.465 4.547 -1.835 174 HB VAL 20 HB VAL 20 0.991 3.148 -0.453 175 HG11 VAL 20 1HG1 VAL 20 -1.216 3.944 0.256 176 HG12 VAL 20 2HG1 VAL 20 -0.752 5.577 -0.221 177 HG13 VAL 20 3HG1 VAL 20 0.117 4.759 1.076 178 HG21 VAL 20 3HG2 VAL 20 -0.997 3.077 -1.953 179 HG22 VAL 20 1HG2 VAL 20 0.538 3.128 -2.816 180 HG23 VAL 20 2HG2 VAL 20 -0.450 4.583 -2.691 181 H ARG 21 H ARG 21 1.830 5.765 -3.509 182 HA ARG 21 HA ARG 21 0.852 8.439 -2.935 183 HB2 ARG 21 2HB ARG 21 2.784 8.204 -4.490 184 HB3 ARG 21 1HB ARG 21 1.767 7.271 -5.576 185 HG2 ARG 21 2HG ARG 21 0.334 9.192 -5.947 186 HG3 ARG 21 1HG ARG 21 1.260 10.134 -4.780 187 HD2 ARG 21 2HD ARG 21 1.942 10.719 -7.023 188 HD3 ARG 21 1HD ARG 21 3.259 9.893 -6.199 189 HE ARG 21 HE ARG 21 1.489 8.657 -8.189 190 HH11 ARG 21 1HH1 ARG 21 4.719 8.880 -6.663 191 HH12 ARG 21 2HH1 ARG 21 5.443 7.835 -7.784 192 HH21 ARG 21 1HH2 ARG 21 2.579 7.249 -9.761 193 HH22 ARG 21 2HH2 ARG 21 4.235 6.913 -9.561 194 H ILE 22 H ILE 22 -1.164 8.783 -2.997 195 HA ILE 22 HA ILE 22 -3.016 6.881 -4.210 196 HB ILE 22 HB ILE 22 -3.641 9.402 -2.653 197 HG12 ILE 22 2HG1 ILE 22 -2.282 7.952 -1.244 198 HG13 ILE 22 1HG1 ILE 22 -3.940 8.016 -0.658 199 HG21 ILE 22 1HG2 ILE 22 -5.496 8.563 -3.962 200 HG22 ILE 22 2HG2 ILE 22 -5.806 8.338 -2.238 201 HG23 ILE 22 3HG2 ILE 22 -5.314 6.967 -3.227 202 HD11 ILE 22 3HD1 ILE 22 -3.082 5.775 -0.501 203 HD12 ILE 22 1HD1 ILE 22 -2.675 5.784 -2.222 204 HD13 ILE 22 2HD1 ILE 22 -4.362 5.864 -1.715 205 H LEU 23 H LEU 23 -3.336 7.296 -6.320 206 HA LEU 23 HA LEU 23 -3.236 10.048 -7.246 207 HB2 LEU 23 2HB LEU 23 -3.815 7.478 -8.708 208 HB3 LEU 23 1HB LEU 23 -3.633 9.045 -9.467 209 HG LEU 23 HG LEU 23 -1.448 7.538 -8.025 210 HD11 LEU 23 1HD1 LEU 23 -2.089 6.465 -10.119 211 HD12 LEU 23 2HD1 LEU 23 -0.501 7.228 -10.258 212 HD13 LEU 23 3HD1 LEU 23 -1.915 8.000 -10.969 213 HD21 LEU 23 3HD2 LEU 23 -1.411 10.115 -9.590 214 HD22 LEU 23 1HD2 LEU 23 0.020 9.254 -9.017 215 HD23 LEU 23 2HD2 LEU 23 -1.124 9.927 -7.861 216 H LYS 24 H LYS 24 -4.980 11.127 -6.821 217 HA LYS 24 HA LYS 24 -7.520 9.695 -6.629 218 HB2 LYS 24 2HB LYS 24 -6.732 11.145 -4.761 219 HB3 LYS 24 1HB LYS 24 -6.829 12.530 -5.831 220 HG2 LYS 24 2HG LYS 24 -9.228 12.282 -5.987 221 HG3 LYS 24 1HG LYS 24 -9.177 10.781 -5.066 222 HD2 LYS 24 2HD LYS 24 -8.161 12.082 -3.173 223 HD3 LYS 24 1HD LYS 24 -8.492 13.547 -4.096 224 HE2 LYS 24 2HE LYS 24 -10.252 13.134 -2.452 225 HE3 LYS 24 1HE LYS 24 -10.877 13.005 -4.095 226 HZ1 LYS 24 3HZ LYS 24 -10.870 10.655 -3.949 227 HZ2 LYS 24 1HZ LYS 24 -11.628 11.199 -2.564 228 HZ3 LYS 24 2HZ LYS 24 -10.031 10.632 -2.513 229 H SER 25 H SER 25 -8.472 9.545 -8.497 230 HA SER 25 HA SER 25 -7.986 11.653 -10.416 231 HB2 SER 25 2HB SER 25 -8.913 8.835 -10.898 232 HB3 SER 25 1HB SER 25 -8.368 9.995 -12.112 233 HG SER 25 HG SER 25 -6.841 8.978 -9.961 234 H ARG 26 H ARG 26 -9.559 13.091 -10.123 235 HA ARG 26 HA ARG 26 -12.291 12.290 -9.669 236 HB2 ARG 26 2HB ARG 26 -11.270 14.270 -8.525 237 HB3 ARG 26 1HB ARG 26 -11.173 15.074 -10.082 238 HG2 ARG 26 2HG ARG 26 -13.087 15.856 -8.791 239 HG3 ARG 26 1HG ARG 26 -13.611 15.033 -10.266 240 HD2 ARG 26 2HD ARG 26 -14.053 13.014 -9.002 241 HD3 ARG 26 1HD ARG 26 -13.467 13.765 -7.527 242 HE ARG 26 HE ARG 26 -15.796 14.804 -8.977 243 HH11 ARG 26 1HH1 ARG 26 -14.285 13.718 -5.955 244 HH12 ARG 26 2HH1 ARG 26 -15.727 13.766 -5.065 245 HH21 ARG 26 1HH2 ARG 26 -17.790 14.866 -7.711 246 HH22 ARG 26 2HH2 ARG 26 -17.737 14.442 -6.055 247 H ASP 27 H ASP 27 -10.280 13.245 -12.281 248 HA ASP 27 HA ASP 27 -12.212 14.114 -14.153 249 HB2 ASP 27 2HB ASP 27 -9.803 14.480 -14.509 250 HB3 ASP 27 1HB ASP 27 -9.555 12.744 -14.647 251 H ASP 28 H ASP 28 -10.789 10.990 -13.501 252 HA ASP 28 HA ASP 28 -12.210 9.421 -15.336 253 HB2 ASP 28 2HB ASP 28 -11.155 8.720 -12.582 254 HB3 ASP 28 1HB ASP 28 -11.727 7.543 -13.755 255 H ASN 29 H ASN 29 -12.788 10.008 -11.917 256 HA ASN 29 HA ASN 29 -15.560 10.389 -12.097 257 HB2 ASN 29 2HB ASN 29 -15.662 7.943 -12.542 258 HB3 ASN 29 1HB ASN 29 -14.741 7.636 -11.079 259 HD21 ASN 29 1HD2 ASN 29 -15.817 7.593 -9.101 260 HD22 ASN 29 2HD2 ASN 29 -17.523 7.768 -8.979 261 H SER 30 H SER 30 -13.450 8.643 -9.920 262 HA SER 30 HA SER 30 -12.597 10.650 -8.252 263 HB2 SER 30 2HB SER 30 -15.120 10.762 -7.668 264 HB3 SER 30 1HB SER 30 -14.944 9.134 -7.017 265 HG SER 30 HG SER 30 -14.744 10.700 -5.415 266 H VAL 31 H VAL 31 -11.612 8.528 -9.557 267 HA VAL 31 HA VAL 31 -11.625 6.156 -7.872 268 HB VAL 31 HB VAL 31 -10.236 6.617 -10.524 269 HG11 VAL 31 1HG1 VAL 31 -10.084 4.179 -10.640 270 HG12 VAL 31 2HG1 VAL 31 -10.825 4.052 -9.043 271 HG13 VAL 31 3HG1 VAL 31 -9.243 4.808 -9.224 272 HG21 VAL 31 3HG2 VAL 31 -12.072 5.336 -11.523 273 HG22 VAL 31 1HG2 VAL 31 -12.645 6.829 -10.781 274 HG23 VAL 31 2HG2 VAL 31 -12.888 5.287 -9.959 275 H GLU 32 H GLU 32 -10.140 5.960 -6.343 276 HA GLU 32 HA GLU 32 -7.718 7.517 -6.578 277 HB2 GLU 32 2HB GLU 32 -8.732 5.867 -4.258 278 HB3 GLU 32 1HB GLU 32 -7.335 6.938 -4.238 279 HG2 GLU 32 2HG GLU 32 -8.834 8.826 -4.773 280 HG3 GLU 32 1HG GLU 32 -10.209 7.739 -4.615 281 H LYS 33 H LYS 33 -6.382 6.625 -7.817 282 HA LYS 33 HA LYS 33 -6.102 3.744 -8.045 283 HB2 LYS 33 2HB LYS 33 -4.611 5.929 -9.530 284 HB3 LYS 33 1HB LYS 33 -4.723 4.237 -9.970 285 HG2 LYS 33 2HG LYS 33 -7.099 4.477 -10.395 286 HG3 LYS 33 1HG LYS 33 -7.028 6.165 -9.898 287 HD2 LYS 33 2HD LYS 33 -5.445 6.598 -11.754 288 HD3 LYS 33 1HD LYS 33 -5.637 4.921 -12.271 289 HE2 LYS 33 2HE LYS 33 -8.068 5.316 -12.512 290 HE3 LYS 33 1HE LYS 33 -7.808 6.992 -12.062 291 HZ1 LYS 33 3HZ LYS 33 -6.693 5.671 -14.481 292 HZ2 LYS 33 1HZ LYS 33 -6.413 7.269 -14.011 293 HZ3 LYS 33 2HZ LYS 33 -7.962 6.797 -14.414 294 H TYR 34 H TYR 34 -4.103 2.715 -7.616 295 HA TYR 34 HA TYR 34 -2.565 4.249 -5.680 296 HB2 TYR 34 2HB TYR 34 -2.991 1.261 -5.822 297 HB3 TYR 34 1HB TYR 34 -2.053 2.106 -4.594 298 HD1 TYR 34 2HD TYR 34 -3.242 3.766 -3.101 299 HD2 TYR 34 1HD TYR 34 -5.354 1.057 -5.602 300 HE1 TYR 34 2HE TYR 34 -5.286 4.147 -1.786 301 HE2 TYR 34 1HE TYR 34 -7.400 1.439 -4.300 302 HH TYR 34 HH TYR 34 -7.660 3.981 -2.026 303 H VAL 35 H VAL 35 -0.402 4.171 -5.667 304 HA VAL 35 HA VAL 35 0.902 3.891 -8.140 305 HB VAL 35 HB VAL 35 1.558 5.407 -6.264 306 HG11 VAL 35 1HG1 VAL 35 3.064 4.571 -4.508 307 HG12 VAL 35 2HG1 VAL 35 2.679 2.925 -5.017 308 HG13 VAL 35 3HG1 VAL 35 1.406 3.987 -4.402 309 HG21 VAL 35 3HG2 VAL 35 3.997 5.255 -6.616 310 HG22 VAL 35 1HG2 VAL 35 3.070 5.131 -8.109 311 HG23 VAL 35 2HG2 VAL 35 3.763 3.681 -7.381 312 H LEU 36 H LEU 36 2.647 2.393 -8.677 313 HA LEU 36 HA LEU 36 1.977 -0.298 -7.873 314 HB2 LEU 36 2HB LEU 36 2.236 0.371 -10.270 315 HB3 LEU 36 1HB LEU 36 3.936 0.647 -9.969 316 HG LEU 36 HG LEU 36 4.219 -1.758 -9.442 317 HD11 LEU 36 1HD1 LEU 36 1.968 -2.277 -8.696 318 HD12 LEU 36 2HD1 LEU 36 2.433 -3.323 -10.039 319 HD13 LEU 36 3HD1 LEU 36 1.344 -1.970 -10.316 320 HD21 LEU 36 3HD2 LEU 36 4.013 -2.563 -11.739 321 HD22 LEU 36 1HD2 LEU 36 4.658 -0.923 -11.692 322 HD23 LEU 36 2HD2 LEU 36 2.971 -1.199 -12.130 323 H THR 37 H THR 37 4.024 1.964 -6.691 324 HA THR 37 HA THR 37 6.225 0.123 -6.229 325 HB THR 37 HB THR 37 6.740 2.543 -6.858 326 HG1 THR 37 1HG THR 37 8.363 1.452 -5.888 327 HG21 THR 37 3HG2 THR 37 6.623 4.241 -5.101 328 HG22 THR 37 1HG2 THR 37 5.827 3.090 -4.029 329 HG23 THR 37 2HG2 THR 37 5.006 3.646 -5.490 330 H SER 38 H SER 38 7.001 -0.240 -4.070 331 HA SER 38 HA SER 38 4.860 -0.205 -2.082 332 HB2 SER 38 2HB SER 38 6.722 -2.491 -2.753 333 HB3 SER 38 1HB SER 38 5.447 -2.511 -1.530 334 HG SER 38 HG SER 38 4.155 -1.775 -3.522 335 H HIS 39 H HIS 39 7.231 1.486 -2.493 336 HA HIS 39 HA HIS 39 9.443 1.024 -0.875 337 HB2 HIS 39 2HB HIS 39 8.029 3.667 -1.261 338 HB3 HIS 39 1HB HIS 39 9.613 3.494 -0.529 339 HD1 HIS 39 1HD HIS 39 9.061 5.188 -3.037 340 HD2 HIS 39 2HD HIS 39 10.523 1.314 -3.086 341 HE1 HIS 39 1HE HIS 39 10.247 4.954 -5.237 342 HE2 HIS 39 2HE HIS 39 11.196 2.640 -5.221 343 H VAL 40 H VAL 40 9.556 0.441 1.180 344 HA VAL 40 HA VAL 40 7.509 1.390 2.995 345 HB VAL 40 HB VAL 40 8.542 -0.338 4.628 346 HG11 VAL 40 1HG1 VAL 40 6.333 -0.494 3.671 347 HG12 VAL 40 2HG1 VAL 40 7.108 -2.080 3.677 348 HG13 VAL 40 3HG1 VAL 40 7.004 -1.149 2.178 349 HG21 VAL 40 3HG2 VAL 40 9.458 -1.488 1.990 350 HG22 VAL 40 1HG2 VAL 40 9.561 -2.272 3.561 351 HG23 VAL 40 2HG2 VAL 40 10.537 -0.837 3.230 352 H SER 41 H SER 41 7.838 2.174 4.928 353 HA SER 41 HA SER 41 10.445 3.376 5.462 354 HB2 SER 41 2HB SER 41 7.679 4.536 5.942 355 HB3 SER 41 1HB SER 41 9.216 5.336 6.268 356 HG SER 41 HG SER 41 7.824 5.235 3.971 357 H LYS 42 H LYS 42 10.897 3.459 7.740 358 HA LYS 42 HA LYS 42 9.443 1.448 9.259 359 HB2 LYS 42 2HB LYS 42 11.969 2.967 9.908 360 HB3 LYS 42 1HB LYS 42 11.277 1.700 10.912 361 HG2 LYS 42 2HG LYS 42 11.562 0.126 9.017 362 HG3 LYS 42 1HG LYS 42 12.376 1.413 8.124 363 HD2 LYS 42 2HD LYS 42 14.082 1.546 9.868 364 HD3 LYS 42 1HD LYS 42 13.255 0.281 10.777 365 HE2 LYS 42 2HE LYS 42 13.556 -1.231 8.842 366 HE3 LYS 42 1HE LYS 42 14.494 0.024 8.044 367 HZ1 LYS 42 3HZ LYS 42 15.910 -1.576 9.108 368 HZ2 LYS 42 1HZ LYS 42 15.187 -1.301 10.606 369 HZ3 LYS 42 2HZ LYS 42 16.107 -0.086 9.845 370 H ASN 43 H ASN 43 9.065 4.566 8.713 371 HA ASN 43 HA ASN 43 8.748 5.631 11.371 372 HB2 ASN 43 2HB ASN 43 8.074 6.726 8.649 373 HB3 ASN 43 1HB ASN 43 7.657 7.564 10.130 374 HD21 ASN 43 1HD2 ASN 43 10.657 5.787 9.890 375 HD22 ASN 43 2HD2 ASN 43 11.665 7.180 9.781 376 H ARG 44 H ARG 44 7.008 5.423 12.605 377 HA ARG 44 HA ARG 44 4.515 4.596 11.422 378 HB2 ARG 44 2HB ARG 44 5.156 5.364 14.283 379 HB3 ARG 44 1HB ARG 44 3.611 4.743 13.735 380 HG2 ARG 44 2HG ARG 44 4.821 2.655 13.025 381 HG3 ARG 44 1HG ARG 44 6.240 3.287 13.861 382 HD2 ARG 44 2HD ARG 44 4.891 3.484 15.925 383 HD3 ARG 44 1HD ARG 44 3.541 2.753 15.064 384 HE ARG 44 HE ARG 44 6.020 1.272 15.168 385 HH11 ARG 44 1HH1 ARG 44 2.740 1.678 16.413 386 HH12 ARG 44 2HH1 ARG 44 2.702 0.194 17.236 387 HH21 ARG 44 1HH2 ARG 44 5.962 -0.802 16.314 388 HH22 ARG 44 2HH2 ARG 44 4.569 -1.230 17.185 389 HA PRO 45 HA PRO 45 3.862 8.897 10.447 390 HB2 PRO 45 2HB PRO 45 1.106 8.039 9.847 391 HB3 PRO 45 1HB PRO 45 2.318 8.814 8.816 392 HG2 PRO 45 2HG PRO 45 1.688 6.233 8.503 393 HG3 PRO 45 1HG PRO 45 3.342 6.824 8.276 394 HD2 PRO 45 2HD PRO 45 2.148 5.383 10.600 395 HD3 PRO 45 1HD PRO 45 3.731 5.196 9.804 396 H LYS 46 H LYS 46 3.235 10.563 11.544 397 HA LYS 46 HA LYS 46 1.316 10.207 13.720 398 HB2 LYS 46 2HB LYS 46 3.547 10.944 14.409 399 HB3 LYS 46 1HB LYS 46 3.437 12.327 13.332 400 HG2 LYS 46 2HG LYS 46 1.531 13.168 14.651 401 HG3 LYS 46 1HG LYS 46 1.719 11.797 15.743 402 HD2 LYS 46 2HD LYS 46 3.950 12.549 16.345 403 HD3 LYS 46 1HD LYS 46 3.826 13.887 15.203 404 HE2 LYS 46 2HE LYS 46 3.375 14.684 17.449 405 HE3 LYS 46 1HE LYS 46 1.911 14.771 16.479 406 HZ1 LYS 46 3HZ LYS 46 1.433 13.868 18.671 407 HZ2 LYS 46 1HZ LYS 46 2.574 12.652 18.440 408 HZ3 LYS 46 2HZ LYS 46 1.184 12.677 17.515 409 H ASN 47 H ASN 47 2.134 12.329 10.968 410 HA ASN 47 HA ASN 47 -0.482 13.622 11.375 411 HB2 ASN 47 2HB ASN 47 0.339 15.672 10.470 412 HB3 ASN 47 1HB ASN 47 1.537 15.120 11.624 413 HD21 ASN 47 1HD2 ASN 47 1.797 16.976 9.424 414 HD22 ASN 47 2HD2 ASN 47 3.028 16.367 8.385 415 H ALA 48 H ALA 48 0.850 11.364 9.557 416 HA ALA 48 HA ALA 48 -0.380 12.265 7.070 417 HB1 ALA 48 1HB ALA 48 1.928 11.365 6.960 418 HB2 ALA 48 2HB ALA 48 0.773 10.484 5.966 419 HB3 ALA 48 3HB ALA 48 1.297 9.804 7.502 420 H ILE 49 H ILE 49 -1.711 10.767 5.895 421 HA ILE 49 HA ILE 49 -3.658 9.574 7.644 422 HB ILE 49 HB ILE 49 -3.579 9.850 4.625 423 HG12 ILE 49 2HG1 ILE 49 -3.703 12.021 5.695 424 HG13 ILE 49 1HG1 ILE 49 -5.253 11.644 4.954 425 HG21 ILE 49 1HG2 ILE 49 -5.884 9.008 6.369 426 HG22 ILE 49 2HG2 ILE 49 -4.994 7.980 5.249 427 HG23 ILE 49 3HG2 ILE 49 -5.971 9.318 4.634 428 HD11 ILE 49 3HD1 ILE 49 -5.540 12.698 7.123 429 HD12 ILE 49 1HD1 ILE 49 -4.587 11.432 7.889 430 HD13 ILE 49 2HD1 ILE 49 -6.146 11.042 7.159 431 H VAL 50 H VAL 50 -3.980 7.443 7.915 432 HA VAL 50 HA VAL 50 -2.308 5.657 6.349 433 HB VAL 50 HB VAL 50 -2.225 4.097 8.264 434 HG11 VAL 50 1HG1 VAL 50 -0.395 5.621 7.957 435 HG12 VAL 50 2HG1 VAL 50 -0.690 5.412 9.689 436 HG13 VAL 50 3HG1 VAL 50 -1.253 6.866 8.859 437 HG21 VAL 50 3HG2 VAL 50 -4.280 4.756 9.428 438 HG22 VAL 50 1HG2 VAL 50 -3.555 6.312 9.833 439 HG23 VAL 50 2HG2 VAL 50 -2.893 4.827 10.516 440 H ILE 51 H ILE 51 -3.267 4.219 5.223 441 HA ILE 51 HA ILE 51 -6.122 3.640 5.711 442 HB ILE 51 HB ILE 51 -4.502 3.218 3.165 443 HG12 ILE 51 2HG1 ILE 51 -6.508 5.407 3.775 444 HG13 ILE 51 1HG1 ILE 51 -4.764 5.623 3.726 445 HG21 ILE 51 1HG2 ILE 51 -6.408 1.703 3.373 446 HG22 ILE 51 2HG2 ILE 51 -6.689 2.885 2.094 447 HG23 ILE 51 3HG2 ILE 51 -7.481 3.073 3.656 448 HD11 ILE 51 3HD1 ILE 51 -4.751 5.041 1.359 449 HD12 ILE 51 1HD1 ILE 51 -5.820 6.407 1.681 450 HD13 ILE 51 2HD1 ILE 51 -6.497 4.800 1.408 451 H LYS 52 H LYS 52 -6.586 1.507 6.217 452 HA LYS 52 HA LYS 52 -4.282 -0.123 6.811 453 HB2 LYS 52 2HB LYS 52 -6.483 0.197 8.200 454 HB3 LYS 52 1HB LYS 52 -7.096 -1.075 7.148 455 HG2 LYS 52 2HG LYS 52 -5.248 -2.524 7.859 456 HG3 LYS 52 1HG LYS 52 -4.705 -1.259 8.963 457 HD2 LYS 52 2HD LYS 52 -7.014 -1.341 9.978 458 HD3 LYS 52 1HD LYS 52 -7.275 -2.799 9.025 459 HE2 LYS 52 2HE LYS 52 -6.585 -3.478 11.211 460 HE3 LYS 52 1HE LYS 52 -5.257 -3.791 10.097 461 HZ1 LYS 52 3HZ LYS 52 -4.451 -2.802 12.138 462 HZ2 LYS 52 1HZ LYS 52 -5.467 -1.481 11.958 463 HZ3 LYS 52 2HZ LYS 52 -4.198 -1.697 10.894 464 H MET 53 H MET 53 -3.981 -2.273 6.082 465 HA MET 53 HA MET 53 -3.861 -2.531 3.337 466 HB2 MET 53 2HB MET 53 -3.779 -4.734 5.389 467 HB3 MET 53 1HB MET 53 -3.303 -4.923 3.709 468 HG2 MET 53 2HG MET 53 -1.566 -3.201 4.055 469 HG3 MET 53 1HG MET 53 -2.008 -3.132 5.757 470 HE1 MET 53 3HE MET 53 -2.583 -6.282 6.356 471 HE2 MET 53 1HE MET 53 -1.701 -5.204 7.442 472 HE3 MET 53 2HE MET 53 -0.994 -6.745 6.968 473 H ASP 54 H ASP 54 -6.360 -3.657 5.464 474 HA ASP 54 HA ASP 54 -7.650 -5.483 3.771 475 HB2 ASP 54 2HB ASP 54 -8.087 -5.413 6.163 476 HB3 ASP 54 1HB ASP 54 -8.786 -3.809 6.010 477 H ASN 55 H ASN 55 -7.705 -2.028 3.720 478 HA ASN 55 HA ASN 55 -10.205 -1.851 2.254 479 HB2 ASN 55 2HB ASN 55 -9.586 -0.125 3.920 480 HB3 ASN 55 1HB ASN 55 -8.183 0.298 2.953 481 HD21 ASN 55 1HD2 ASN 55 -8.478 1.589 1.116 482 HD22 ASN 55 2HD2 ASN 55 -9.962 2.380 0.769 483 H LEU 56 H LEU 56 -7.038 -2.524 1.459 484 HA LEU 56 HA LEU 56 -7.000 -1.057 -1.018 485 HB2 LEU 56 2HB LEU 56 -5.009 -2.886 0.294 486 HB3 LEU 56 1HB LEU 56 -4.807 -2.383 -1.365 487 HG LEU 56 HG LEU 56 -3.418 -1.047 0.104 488 HD11 LEU 56 1HD1 LEU 56 -4.342 0.019 -1.882 489 HD12 LEU 56 2HD1 LEU 56 -4.085 1.163 -0.569 490 HD13 LEU 56 3HD1 LEU 56 -5.713 0.596 -0.934 491 HD21 LEU 56 3HD2 LEU 56 -5.982 -0.226 1.450 492 HD22 LEU 56 1HD2 LEU 56 -4.404 0.490 1.743 493 HD23 LEU 56 2HD2 LEU 56 -4.699 -1.195 2.164 494 HA PRO 57 HA PRO 57 -8.753 -4.197 -3.638 495 HB2 PRO 57 2HB PRO 57 -6.788 -3.202 -5.645 496 HB3 PRO 57 1HB PRO 57 -8.544 -3.337 -5.773 497 HG2 PRO 57 2HG PRO 57 -7.408 -0.967 -5.470 498 HG3 PRO 57 1HG PRO 57 -8.909 -1.358 -4.613 499 HD2 PRO 57 2HD PRO 57 -6.101 -1.310 -3.583 500 HD3 PRO 57 1HD PRO 57 -7.595 -0.715 -2.831 501 H ILE 58 H ILE 58 -8.085 -6.104 -4.849 502 HA ILE 58 HA ILE 58 -6.131 -7.426 -3.356 503 HB ILE 58 HB ILE 58 -6.535 -9.446 -4.787 504 HG12 ILE 58 2HG1 ILE 58 -8.717 -9.332 -6.171 505 HG13 ILE 58 1HG1 ILE 58 -8.481 -7.595 -6.191 506 HG21 ILE 58 1HG2 ILE 58 -7.690 -9.130 -2.731 507 HG22 ILE 58 2HG2 ILE 58 -8.787 -9.838 -3.917 508 HG23 ILE 58 3HG2 ILE 58 -8.905 -8.127 -3.520 509 HD11 ILE 58 3HD1 ILE 58 -6.628 -9.666 -7.353 510 HD12 ILE 58 1HD1 ILE 58 -6.343 -7.926 -7.350 511 HD13 ILE 58 2HD1 ILE 58 -7.707 -8.595 -8.244 512 H GLU 59 H GLU 59 -5.845 -5.981 -6.484 513 HA GLU 59 HA GLU 59 -3.396 -7.260 -7.077 514 HB2 GLU 59 2HB GLU 59 -4.542 -4.698 -8.151 515 HB3 GLU 59 1HB GLU 59 -3.054 -5.424 -8.727 516 HG2 GLU 59 2HG GLU 59 -4.417 -7.487 -9.224 517 HG3 GLU 59 1HG GLU 59 -5.839 -6.486 -8.944 518 H VAL 60 H VAL 60 -4.234 -4.398 -5.317 519 HA VAL 60 HA VAL 60 -1.583 -3.355 -5.238 520 HB VAL 60 HB VAL 60 -3.868 -2.771 -3.324 521 HG11 VAL 60 1HG1 VAL 60 -2.686 -0.642 -2.938 522 HG12 VAL 60 2HG1 VAL 60 -1.383 -1.198 -3.988 523 HG13 VAL 60 3HG1 VAL 60 -1.716 -2.041 -2.474 524 HG21 VAL 60 3HG2 VAL 60 -4.558 -2.331 -5.622 525 HG22 VAL 60 1HG2 VAL 60 -3.116 -1.349 -5.879 526 HG23 VAL 60 2HG2 VAL 60 -4.353 -0.825 -4.734 527 H LYS 61 H LYS 61 -3.613 -5.238 -3.046 528 HA LYS 61 HA LYS 61 -1.723 -5.505 -0.965 529 HB2 LYS 61 2HB LYS 61 -3.929 -7.423 -1.720 530 HB3 LYS 61 1HB LYS 61 -3.065 -7.415 -0.186 531 HG2 LYS 61 2HG LYS 61 -3.873 -5.070 0.112 532 HG3 LYS 61 1HG LYS 61 -4.920 -5.325 -1.271 533 HD2 LYS 61 2HD LYS 61 -4.960 -6.963 1.272 534 HD3 LYS 61 1HD LYS 61 -6.130 -5.721 0.842 535 HE2 LYS 61 2HE LYS 61 -6.798 -7.043 -1.113 536 HE3 LYS 61 1HE LYS 61 -5.630 -8.288 -0.667 537 HZ1 LYS 61 3HZ LYS 61 -6.848 -8.551 1.442 538 HZ2 LYS 61 1HZ LYS 61 -7.804 -8.904 0.105 539 HZ3 LYS 61 2HZ LYS 61 -8.006 -7.456 0.913 540 H ASP 62 H ASP 62 -2.316 -7.277 -3.824 541 HA ASP 62 HA ASP 62 -0.740 -9.559 -3.663 542 HB2 ASP 62 2HB ASP 62 -2.154 -9.148 -5.568 543 HB3 ASP 62 1HB ASP 62 -1.331 -7.652 -5.931 544 H LYS 63 H LYS 63 0.176 -6.348 -4.791 545 HA LYS 63 HA LYS 63 2.956 -6.859 -5.160 546 HB2 LYS 63 2HB LYS 63 1.680 -4.183 -4.587 547 HB3 LYS 63 1HB LYS 63 3.194 -4.479 -5.422 548 HG2 LYS 63 2HG LYS 63 0.464 -5.241 -6.406 549 HG3 LYS 63 1HG LYS 63 1.393 -3.850 -6.947 550 HD2 LYS 63 2HD LYS 63 3.077 -5.288 -7.894 551 HD3 LYS 63 1HD LYS 63 2.307 -6.714 -7.188 552 HE2 LYS 63 2HE LYS 63 1.091 -4.892 -9.256 553 HE3 LYS 63 1HE LYS 63 1.763 -6.490 -9.568 554 HZ1 LYS 63 3HZ LYS 63 -0.559 -5.891 -7.814 555 HZ2 LYS 63 1HZ LYS 63 0.102 -7.426 -8.075 556 HZ3 LYS 63 2HZ LYS 63 -0.641 -6.581 -9.349 557 H LEU 64 H LEU 64 1.165 -5.145 -2.648 558 HA LEU 64 HA LEU 64 3.227 -4.334 -1.000 559 HB2 LEU 64 2HB LEU 64 0.473 -5.213 -0.149 560 HB3 LEU 64 1HB LEU 64 1.566 -4.234 0.795 561 HG LEU 64 HG LEU 64 0.139 -3.452 -1.743 562 HD11 LEU 64 1HD1 LEU 64 -1.272 -3.446 0.213 563 HD12 LEU 64 2HD1 LEU 64 -0.953 -1.796 -0.320 564 HD13 LEU 64 3HD1 LEU 64 -0.106 -2.447 1.080 565 HD21 LEU 64 3HD2 LEU 64 2.094 -1.817 -0.121 566 HD22 LEU 64 1HD2 LEU 64 1.123 -1.224 -1.466 567 HD23 LEU 64 2HD2 LEU 64 2.367 -2.439 -1.751 568 H THR 65 H THR 65 1.342 -7.311 -0.807 569 HA THR 65 HA THR 65 2.462 -8.298 1.523 570 HB THR 65 HB THR 65 1.167 -9.804 -0.759 571 HG1 THR 65 1HG THR 65 -0.278 -8.412 0.008 572 HG21 THR 65 3HG2 THR 65 1.612 -10.610 2.122 573 HG22 THR 65 1HG2 THR 65 2.399 -11.323 0.715 574 HG23 THR 65 2HG2 THR 65 0.659 -11.520 0.947 575 H ARG 66 H ARG 66 3.283 -9.105 -1.874 576 HA ARG 66 HA ARG 66 5.287 -10.875 -0.852 577 HB2 ARG 66 2HB ARG 66 4.628 -10.141 -3.693 578 HB3 ARG 66 1HB ARG 66 5.767 -11.403 -3.213 579 HG2 ARG 66 2HG ARG 66 4.040 -12.609 -2.065 580 HG3 ARG 66 1HG ARG 66 2.884 -11.323 -2.380 581 HD2 ARG 66 2HD ARG 66 3.227 -11.756 -4.807 582 HD3 ARG 66 1HD ARG 66 4.143 -13.204 -4.355 583 HE ARG 66 HE ARG 66 2.085 -13.905 -3.138 584 HH11 ARG 66 1HH1 ARG 66 1.928 -11.847 -5.976 585 HH12 ARG 66 2HH1 ARG 66 0.264 -11.994 -6.212 586 HH21 ARG 66 1HH2 ARG 66 -0.182 -14.235 -3.466 587 HH22 ARG 66 2HH2 ARG 66 -0.986 -13.461 -4.767 588 H PHE 67 H PHE 67 5.303 -7.585 -1.843 589 HA PHE 67 HA PHE 67 8.100 -7.535 -2.350 590 HB2 PHE 67 2HB PHE 67 6.525 -5.833 -3.281 591 HB3 PHE 67 1HB PHE 67 6.325 -5.188 -1.657 592 HD1 PHE 67 1HD PHE 67 8.638 -5.596 -4.461 593 HD2 PHE 67 2HD PHE 67 8.084 -3.791 -0.628 594 HE1 PHE 67 1HE PHE 67 10.597 -4.172 -4.832 595 HE2 PHE 67 2HE PHE 67 10.033 -2.378 -1.010 596 HZ PHE 67 HZ PHE 67 11.298 -2.561 -3.114 597 H PHE 68 H PHE 68 6.134 -6.387 0.421 598 HA PHE 68 HA PHE 68 8.668 -6.381 1.888 599 HB2 PHE 68 2HB PHE 68 7.810 -4.491 3.251 600 HB3 PHE 68 1HB PHE 68 8.104 -4.123 1.558 601 HD1 PHE 68 1HD PHE 68 5.399 -5.076 3.917 602 HD2 PHE 68 2HD PHE 68 6.448 -3.099 0.312 603 HE1 PHE 68 1HE PHE 68 3.130 -4.205 3.738 604 HE2 PHE 68 2HE PHE 68 4.177 -2.223 0.136 605 HZ PHE 68 HZ PHE 68 2.512 -2.776 1.854 606 H LEU 69 H LEU 69 5.392 -7.520 2.080 607 HA LEU 69 HA LEU 69 5.424 -7.762 4.933 608 HB2 LEU 69 2HB LEU 69 3.440 -7.755 3.183 609 HB3 LEU 69 1HB LEU 69 3.701 -9.485 3.160 610 HG LEU 69 HG LEU 69 1.851 -8.952 4.572 611 HD11 LEU 69 1HD1 LEU 69 2.495 -9.913 6.715 612 HD12 LEU 69 2HD1 LEU 69 4.194 -9.700 6.292 613 HD13 LEU 69 3HD1 LEU 69 3.182 -10.800 5.354 614 HD21 LEU 69 3HD2 LEU 69 2.016 -7.525 6.549 615 HD22 LEU 69 1HD2 LEU 69 2.375 -6.636 5.071 616 HD23 LEU 69 2HD2 LEU 69 3.686 -7.137 6.134 617 H LEU 70 H LEU 70 6.085 -9.859 2.187 618 HA LEU 70 HA LEU 70 7.170 -11.909 3.872 619 HB2 LEU 70 2HB LEU 70 7.091 -11.547 0.888 620 HB3 LEU 70 1HB LEU 70 8.082 -12.785 1.616 621 HG LEU 70 HG LEU 70 6.014 -13.741 2.635 622 HD11 LEU 70 1HD1 LEU 70 4.579 -11.822 2.600 623 HD12 LEU 70 2HD1 LEU 70 3.854 -13.167 1.716 624 HD13 LEU 70 3HD1 LEU 70 4.582 -11.823 0.838 625 HD21 LEU 70 3HD2 LEU 70 6.079 -13.571 -0.368 626 HD22 LEU 70 1HD2 LEU 70 5.224 -14.793 0.571 627 HD23 LEU 70 2HD2 LEU 70 6.984 -14.702 0.636 628 H GLU 71 H GLU 71 8.534 -9.631 1.552 629 HA GLU 71 HA GLU 71 10.548 -8.845 1.114 630 HB2 GLU 71 2HB GLU 71 10.890 -9.073 4.080 631 HB3 GLU 71 1HB GLU 71 12.272 -8.631 3.087 632 HG2 GLU 71 2HG GLU 71 10.843 -6.783 2.131 633 HG3 GLU 71 1HG GLU 71 9.668 -7.183 3.387 634 H HIS 72 H HIS 72 10.504 -11.971 2.333 635 HA HIS 72 HA HIS 72 13.164 -12.604 1.511 636 HB2 HIS 72 2HB HIS 72 12.044 -13.915 3.287 637 HB3 HIS 72 1HB HIS 72 10.858 -14.473 2.122 638 HD1 HIS 72 1HD HIS 72 11.363 -16.685 1.111 639 HD2 HIS 72 2HD HIS 72 14.788 -14.846 2.563 640 HE1 HIS 72 1HE HIS 72 13.204 -18.368 0.811 641 HE2 HIS 72 2HE HIS 72 15.182 -17.334 1.961 642 H HIS 73 H HIS 73 13.042 -11.655 -0.482 643 HA HIS 73 HA HIS 73 12.548 -13.592 -2.552 644 HB2 HIS 73 2HB HIS 73 11.602 -11.858 -4.153 645 HB3 HIS 73 1HB HIS 73 10.509 -12.287 -2.856 646 HD1 HIS 73 1HD HIS 73 11.820 -9.441 -4.619 647 HD2 HIS 73 2HD HIS 73 10.508 -10.180 -0.759 648 HE1 HIS 73 1HE HIS 73 11.350 -7.190 -3.633 649 HE2 HIS 73 2HE HIS 73 10.253 -7.724 -1.409 650 H HIS 74 H HIS 74 14.609 -13.264 -1.357 651 HA HIS 74 HA HIS 74 16.650 -12.696 -3.090 652 HB2 HIS 74 2HB HIS 74 16.292 -10.298 -2.612 653 HB3 HIS 74 1HB HIS 74 16.207 -10.627 -0.889 654 HD1 HIS 74 1HD HIS 74 18.206 -9.395 -0.018 655 HD2 HIS 74 2HD HIS 74 19.157 -11.714 -3.328 656 HE1 HIS 74 1HE HIS 74 20.701 -9.289 -0.246 657 HE2 HIS 74 2HE HIS 74 21.246 -10.852 -2.108 658 H HIS 75 H HIS 75 18.021 -14.215 -2.388 659 HA HIS 75 HA HIS 75 17.621 -15.358 0.216 660 HB2 HIS 75 2HB HIS 75 18.247 -16.696 -1.848 661 HB3 HIS 75 1HB HIS 75 19.836 -15.940 -1.775 662 HD1 HIS 75 1HD HIS 75 21.480 -17.556 -0.800 663 HD2 HIS 75 2HD HIS 75 17.723 -17.909 0.929 664 HE1 HIS 75 1HE HIS 75 21.709 -19.311 0.941 665 HE2 HIS 75 2HE HIS 75 19.524 -19.248 2.170 666 H HIS 76 H HIS 76 18.671 -14.750 2.016 667 HA HIS 76 HA HIS 76 20.396 -12.511 1.917 668 HB2 HIS 76 2HB HIS 76 19.658 -14.317 4.213 669 HB3 HIS 76 1HB HIS 76 20.767 -12.965 4.385 670 HD1 HIS 76 1HD HIS 76 17.316 -13.788 4.711 671 HD2 HIS 76 2HD HIS 76 19.424 -10.422 3.532 672 HE1 HIS 76 1HE HIS 76 15.703 -11.866 4.932 673 HE2 HIS 76 2HE HIS 76 17.078 -9.833 4.432 674 H HIS 77 H HIS 77 22.245 -12.642 1.030 675 HA HIS 77 HA HIS 77 24.273 -14.279 2.214 676 HB2 HIS 77 2HB HIS 77 23.458 -15.685 0.340 677 HB3 HIS 77 1HB HIS 77 23.638 -14.310 -0.741 678 HD1 HIS 77 1HD HIS 77 25.831 -14.121 -1.940 679 HD2 HIS 77 2HD HIS 77 26.070 -16.574 1.407 680 HE1 HIS 77 1HE HIS 77 28.116 -15.084 -1.982 681 HE2 HIS 77 2HE HIS 77 28.307 -16.410 0.138 Start of MODEL 7 1 H1 MET 1 1HT MET 1 0.621 20.412 -2.090 2 H2 MET 1 2HT MET 1 0.772 20.623 -0.420 3 H3 MET 1 3HT MET 1 -0.603 21.185 -1.232 4 HA MET 1 HA MET 1 0.171 18.366 -0.995 5 HB2 MET 1 2HB MET 1 -0.591 19.371 1.143 6 HB3 MET 1 1HB MET 1 -2.059 19.915 0.349 7 HG2 MET 1 2HG MET 1 -2.430 17.909 1.683 8 HG3 MET 1 1HG MET 1 -2.735 17.629 -0.032 9 HE1 MET 1 2HE MET 1 -2.297 15.385 2.241 10 HE2 MET 1 3HE MET 1 -1.314 14.211 1.363 11 HE3 MET 1 1HE MET 1 -2.683 14.992 0.568 12 H LEU 2 H LEU 2 -0.891 17.035 -2.290 13 HA LEU 2 HA LEU 2 -2.198 16.175 -3.830 14 HB2 LEU 2 2HB LEU 2 -4.116 16.901 -2.490 15 HB3 LEU 2 1HB LEU 2 -4.082 18.468 -3.263 16 HG LEU 2 HG LEU 2 -4.659 17.377 -5.423 17 HD11 LEU 2 1HD1 LEU 2 -3.778 15.154 -5.006 18 HD12 LEU 2 2HD1 LEU 2 -5.488 15.077 -5.416 19 HD13 LEU 2 3HD1 LEU 2 -4.977 14.898 -3.738 20 HD21 LEU 2 3HD2 LEU 2 -6.997 16.928 -4.862 21 HD22 LEU 2 1HD2 LEU 2 -6.397 18.363 -4.033 22 HD23 LEU 2 2HD2 LEU 2 -6.570 16.843 -3.152 23 H LYS 3 H LYS 3 -0.689 16.438 -5.349 24 HA LYS 3 HA LYS 3 -0.863 18.698 -7.177 25 HB2 LYS 3 2HB LYS 3 1.347 17.732 -6.633 26 HB3 LYS 3 1HB LYS 3 0.843 16.176 -7.258 27 HG2 LYS 3 2HG LYS 3 2.294 17.256 -8.843 28 HG3 LYS 3 1HG LYS 3 0.663 17.187 -9.504 29 HD2 LYS 3 2HD LYS 3 0.320 19.535 -8.875 30 HD3 LYS 3 1HD LYS 3 1.954 19.593 -8.210 31 HE2 LYS 3 2HE LYS 3 1.253 19.016 -11.095 32 HE3 LYS 3 1HE LYS 3 1.847 20.556 -10.481 33 HZ1 LYS 3 3HZ LYS 3 3.607 19.169 -11.496 34 HZ2 LYS 3 1HZ LYS 3 3.374 17.999 -10.325 35 HZ3 LYS 3 2HZ LYS 3 3.927 19.530 -9.907 36 H HIS 4 H HIS 4 -0.744 15.200 -7.925 37 HA HIS 4 HA HIS 4 -3.456 15.341 -8.986 38 HB2 HIS 4 2HB HIS 4 -1.092 14.001 -10.412 39 HB3 HIS 4 1HB HIS 4 -2.768 13.710 -10.825 40 HD1 HIS 4 1HD HIS 4 -3.917 15.444 -12.425 41 HD2 HIS 4 2HD HIS 4 -0.088 16.567 -11.195 42 HE1 HIS 4 1HE HIS 4 -3.332 17.442 -13.748 43 HE2 HIS 4 2HE HIS 4 -1.007 18.070 -13.069 44 H GLY 5 H GLY 5 -1.823 14.527 -6.622 45 HA2 GLY 5 2HA GLY 5 -3.155 12.199 -5.902 46 HA3 GLY 5 1HA GLY 5 -1.506 11.815 -6.409 47 H LYS 6 H LYS 6 -2.227 11.343 -3.886 48 HA LYS 6 HA LYS 6 -0.759 13.390 -2.370 49 HB2 LYS 6 2HB LYS 6 -2.257 12.910 -0.439 50 HB3 LYS 6 1HB LYS 6 -3.080 13.658 -1.798 51 HG2 LYS 6 2HG LYS 6 -3.921 11.429 -2.469 52 HG3 LYS 6 1HG LYS 6 -3.159 10.744 -1.031 53 HD2 LYS 6 2HD LYS 6 -4.549 12.129 0.399 54 HD3 LYS 6 1HD LYS 6 -5.248 12.917 -1.015 55 HE2 LYS 6 2HE LYS 6 -6.152 10.746 -1.747 56 HE3 LYS 6 1HE LYS 6 -5.499 9.998 -0.293 57 HZ1 LYS 6 3HZ LYS 6 -7.867 10.567 -0.099 58 HZ2 LYS 6 1HZ LYS 6 -7.496 12.188 -0.332 59 HZ3 LYS 6 2HZ LYS 6 -6.947 11.380 1.050 60 H TYR 7 H TYR 7 0.323 12.540 -0.444 61 HA TYR 7 HA TYR 7 1.129 9.753 -0.811 62 HB2 TYR 7 2HB TYR 7 2.504 12.100 0.452 63 HB3 TYR 7 1HB TYR 7 2.981 10.455 0.839 64 HD1 TYR 7 2HD TYR 7 3.835 8.982 -0.953 65 HD2 TYR 7 1HD TYR 7 3.186 13.138 -1.564 66 HE1 TYR 7 2HE TYR 7 5.323 8.912 -2.897 67 HE2 TYR 7 1HE TYR 7 4.677 13.082 -3.515 68 HH TYR 7 HH TYR 7 6.518 11.716 -4.332 69 H VAL 8 H VAL 8 0.477 8.309 0.547 70 HA VAL 8 HA VAL 8 -0.159 9.085 3.273 71 HB VAL 8 HB VAL 8 -2.139 7.617 3.302 72 HG11 VAL 8 1HG1 VAL 8 -2.526 9.967 2.812 73 HG12 VAL 8 2HG1 VAL 8 -3.700 8.949 1.983 74 HG13 VAL 8 3HG1 VAL 8 -2.348 9.647 1.089 75 HG21 VAL 8 3HG2 VAL 8 -1.529 6.024 1.593 76 HG22 VAL 8 1HG2 VAL 8 -1.646 7.276 0.355 77 HG23 VAL 8 2HG2 VAL 8 -3.098 6.738 1.207 78 H TYR 9 H TYR 9 -0.585 6.800 4.427 79 HA TYR 9 HA TYR 9 1.541 4.996 3.512 80 HB2 TYR 9 2HB TYR 9 0.955 5.935 6.315 81 HB3 TYR 9 1HB TYR 9 1.934 4.516 5.972 82 HD1 TYR 9 2HD TYR 9 1.737 8.196 5.575 83 HD2 TYR 9 1HD TYR 9 4.227 4.756 5.411 84 HE1 TYR 9 2HE TYR 9 3.714 9.643 5.457 85 HE2 TYR 9 1HE TYR 9 6.214 6.192 5.307 86 HH TYR 9 HH TYR 9 6.099 9.468 6.032 87 H ILE 10 H ILE 10 1.134 2.843 3.837 88 HA ILE 10 HA ILE 10 -1.666 2.250 4.428 89 HB ILE 10 HB ILE 10 0.466 0.402 3.302 90 HG12 ILE 10 2HG1 ILE 10 -0.104 2.121 1.685 91 HG13 ILE 10 1HG1 ILE 10 -0.780 0.583 1.169 92 HG21 ILE 10 1HG2 ILE 10 -1.195 -0.873 4.522 93 HG22 ILE 10 2HG2 ILE 10 -1.347 -1.159 2.789 94 HG23 ILE 10 3HG2 ILE 10 -2.489 -0.092 3.611 95 HD11 ILE 10 3HD1 ILE 10 -2.262 2.881 2.436 96 HD12 ILE 10 1HD1 ILE 10 -2.951 1.293 2.087 97 HD13 ILE 10 2HD1 ILE 10 -2.381 2.311 0.767 98 H ASP 11 H ASP 11 -2.289 1.340 6.197 99 HA ASP 11 HA ASP 11 -0.395 0.960 8.317 100 HB2 ASP 11 2HB ASP 11 -2.528 1.969 8.914 101 HB3 ASP 11 1HB ASP 11 -3.414 0.587 8.304 102 H LEU 12 H LEU 12 0.849 -0.613 7.784 103 HA LEU 12 HA LEU 12 -0.091 -3.274 7.209 104 HB2 LEU 12 2HB LEU 12 2.651 -2.397 8.117 105 HB3 LEU 12 1HB LEU 12 2.245 -3.877 7.273 106 HG LEU 12 HG LEU 12 2.159 -1.089 6.119 107 HD11 LEU 12 1HD1 LEU 12 4.038 -3.377 5.639 108 HD12 LEU 12 2HD1 LEU 12 4.400 -1.852 6.451 109 HD13 LEU 12 3HD1 LEU 12 4.017 -1.865 4.729 110 HD21 LEU 12 3HD2 LEU 12 1.750 -2.238 3.952 111 HD22 LEU 12 1HD2 LEU 12 0.428 -2.455 5.103 112 HD23 LEU 12 2HD2 LEU 12 1.583 -3.755 4.833 113 H ASN 13 H ASN 13 0.881 -1.329 9.839 114 HA ASN 13 HA ASN 13 0.528 -1.329 12.048 115 HB2 ASN 13 2HB ASN 13 -1.689 -2.363 11.164 116 HB3 ASN 13 1HB ASN 13 -1.077 -3.849 11.877 117 HD21 ASN 13 1HD2 ASN 13 -2.170 -0.639 12.461 118 HD22 ASN 13 2HD2 ASN 13 -2.500 -0.823 14.151 119 H ASN 14 H ASN 14 2.252 -3.658 10.591 120 HA ASN 14 HA ASN 14 2.964 -5.197 12.950 121 HB2 ASN 14 2HB ASN 14 4.543 -6.395 11.409 122 HB3 ASN 14 1HB ASN 14 2.859 -6.475 10.918 123 HD21 ASN 14 1HD2 ASN 14 3.634 -7.012 8.825 124 HD22 ASN 14 2HD2 ASN 14 4.196 -5.780 7.754 125 H GLY 15 H GLY 15 3.592 -2.270 12.429 126 HA2 GLY 15 2HA GLY 15 5.215 -1.116 13.723 127 HA3 GLY 15 1HA GLY 15 6.332 -2.444 13.449 128 H LYS 16 H LYS 16 5.274 -2.192 10.473 129 HA LYS 16 HA LYS 16 6.907 0.154 9.890 130 HB2 LYS 16 2HB LYS 16 7.976 -0.944 8.061 131 HB3 LYS 16 1HB LYS 16 8.107 -2.023 9.432 132 HG2 LYS 16 2HG LYS 16 6.041 -3.205 8.435 133 HG3 LYS 16 1HG LYS 16 6.413 -2.285 6.974 134 HD2 LYS 16 2HD LYS 16 7.551 -4.303 6.655 135 HD3 LYS 16 1HD LYS 16 8.796 -3.204 7.247 136 HE2 LYS 16 2HE LYS 16 8.229 -4.079 9.585 137 HE3 LYS 16 1HE LYS 16 7.350 -5.361 8.759 138 HZ1 LYS 16 3HZ LYS 16 9.545 -5.818 7.562 139 HZ2 LYS 16 1HZ LYS 16 9.516 -6.147 9.227 140 HZ3 LYS 16 2HZ LYS 16 10.201 -4.745 8.730 141 H TYR 17 H TYR 17 6.368 1.174 7.833 142 HA TYR 17 HA TYR 17 3.629 0.626 6.994 143 HB2 TYR 17 2HB TYR 17 4.740 3.262 7.963 144 HB3 TYR 17 1HB TYR 17 3.354 3.183 6.887 145 HD1 TYR 17 1HD TYR 17 4.546 1.953 10.217 146 HD2 TYR 17 2HD TYR 17 1.225 2.951 7.769 147 HE1 TYR 17 1HE TYR 17 3.038 1.631 12.135 148 HE2 TYR 17 2HE TYR 17 -0.280 2.634 9.674 149 HH TYR 17 HH TYR 17 -0.365 1.474 11.720 150 H VAL 18 H VAL 18 3.236 1.097 4.883 151 HA VAL 18 HA VAL 18 5.634 1.648 3.325 152 HB VAL 18 HB VAL 18 4.613 -0.488 2.722 153 HG11 VAL 18 1HG1 VAL 18 2.339 -0.641 1.854 154 HG12 VAL 18 2HG1 VAL 18 2.111 1.063 2.250 155 HG13 VAL 18 3HG1 VAL 18 2.411 -0.110 3.538 156 HG21 VAL 18 3HG2 VAL 18 5.551 0.776 0.857 157 HG22 VAL 18 1HG2 VAL 18 3.996 1.567 0.606 158 HG23 VAL 18 2HG2 VAL 18 4.155 -0.169 0.336 159 H LYS 19 H LYS 19 5.738 3.320 1.917 160 HA LYS 19 HA LYS 19 3.656 5.320 2.338 161 HB2 LYS 19 2HB LYS 19 6.067 5.860 2.769 162 HB3 LYS 19 1HB LYS 19 6.369 5.649 1.053 163 HG2 LYS 19 2HG LYS 19 4.869 7.496 0.543 164 HG3 LYS 19 1HG LYS 19 4.503 7.689 2.261 165 HD2 LYS 19 2HD LYS 19 6.920 8.079 2.662 166 HD3 LYS 19 1HD LYS 19 7.174 8.056 0.918 167 HE2 LYS 19 2HE LYS 19 5.618 9.955 0.688 168 HE3 LYS 19 1HE LYS 19 5.414 9.975 2.438 169 HZ1 LYS 19 3HZ LYS 19 7.041 11.621 1.678 170 HZ2 LYS 19 1HZ LYS 19 7.962 10.408 0.998 171 HZ3 LYS 19 2HZ LYS 19 7.784 10.489 2.669 172 H VAL 20 H VAL 20 2.174 5.534 0.849 173 HA VAL 20 HA VAL 20 2.815 4.672 -1.870 174 HB VAL 20 HB VAL 20 1.401 3.023 -0.657 175 HG11 VAL 20 1HG1 VAL 20 -0.609 5.232 -0.506 176 HG12 VAL 20 2HG1 VAL 20 0.215 4.443 0.840 177 HG13 VAL 20 3HG1 VAL 20 -0.930 3.538 -0.151 178 HG21 VAL 20 3HG2 VAL 20 -0.014 4.402 -2.942 179 HG22 VAL 20 1HG2 VAL 20 -0.368 2.775 -2.357 180 HG23 VAL 20 2HG2 VAL 20 1.203 3.128 -3.073 181 H ARG 21 H ARG 21 1.806 5.802 -3.502 182 HA ARG 21 HA ARG 21 0.803 8.436 -2.733 183 HB2 ARG 21 2HB ARG 21 2.938 8.349 -4.047 184 HB3 ARG 21 1HB ARG 21 2.063 7.565 -5.348 185 HG2 ARG 21 2HG ARG 21 0.713 9.555 -5.677 186 HG3 ARG 21 1HG ARG 21 1.505 10.336 -4.304 187 HD2 ARG 21 2HD ARG 21 3.669 10.138 -5.466 188 HD3 ARG 21 1HD ARG 21 2.851 9.422 -6.851 189 HE ARG 21 HE ARG 21 1.565 11.711 -6.701 190 HH11 ARG 21 1HH1 ARG 21 5.034 11.098 -6.443 191 HH12 ARG 21 2HH1 ARG 21 5.501 12.630 -7.019 192 HH21 ARG 21 1HH2 ARG 21 2.220 13.820 -7.520 193 HH22 ARG 21 2HH2 ARG 21 3.870 14.233 -7.638 194 H ILE 22 H ILE 22 -1.267 8.643 -2.981 195 HA ILE 22 HA ILE 22 -2.810 6.801 -4.671 196 HB ILE 22 HB ILE 22 -3.794 8.982 -2.806 197 HG12 ILE 22 2HG1 ILE 22 -2.622 7.319 -1.474 198 HG13 ILE 22 1HG1 ILE 22 -4.353 7.204 -1.187 199 HG21 ILE 22 1HG2 ILE 22 -5.454 8.468 -4.461 200 HG22 ILE 22 2HG2 ILE 22 -5.971 7.840 -2.905 201 HG23 ILE 22 3HG2 ILE 22 -5.318 6.741 -4.121 202 HD11 ILE 22 3HD1 ILE 22 -2.732 5.375 -2.942 203 HD12 ILE 22 1HD1 ILE 22 -4.463 5.259 -2.616 204 HD13 ILE 22 2HD1 ILE 22 -3.303 5.020 -1.308 205 H LEU 23 H LEU 23 -2.768 7.525 -6.740 206 HA LEU 23 HA LEU 23 -2.723 10.383 -7.242 207 HB2 LEU 23 2HB LEU 23 -3.043 8.176 -9.250 208 HB3 LEU 23 1HB LEU 23 -2.549 9.812 -9.547 209 HG LEU 23 HG LEU 23 -0.866 7.808 -8.043 210 HD11 LEU 23 1HD1 LEU 23 0.544 7.803 -10.038 211 HD12 LEU 23 2HD1 LEU 23 -0.618 8.840 -10.864 212 HD13 LEU 23 3HD1 LEU 23 -1.075 7.204 -10.394 213 HD21 LEU 23 3HD2 LEU 23 -0.260 10.569 -9.067 214 HD22 LEU 23 1HD2 LEU 23 0.886 9.484 -8.282 215 HD23 LEU 23 2HD2 LEU 23 -0.486 10.121 -7.376 216 H LYS 24 H LYS 24 -4.579 11.391 -7.077 217 HA LYS 24 HA LYS 24 -7.060 9.918 -7.428 218 HB2 LYS 24 2HB LYS 24 -6.549 11.663 -5.562 219 HB3 LYS 24 1HB LYS 24 -6.713 12.863 -6.829 220 HG2 LYS 24 2HG LYS 24 -8.724 12.675 -5.509 221 HG3 LYS 24 1HG LYS 24 -9.032 12.176 -7.181 222 HD2 LYS 24 2HD LYS 24 -9.002 9.856 -6.527 223 HD3 LYS 24 1HD LYS 24 -8.469 10.275 -4.894 224 HE2 LYS 24 2HE LYS 24 -10.594 11.461 -4.528 225 HE3 LYS 24 1HE LYS 24 -11.110 11.033 -6.153 226 HZ1 LYS 24 3HZ LYS 24 -11.202 8.746 -5.549 227 HZ2 LYS 24 1HZ LYS 24 -12.021 9.611 -4.383 228 HZ3 LYS 24 2HZ LYS 24 -10.480 8.982 -4.062 229 H SER 25 H SER 25 -7.603 9.677 -9.506 230 HA SER 25 HA SER 25 -6.406 11.591 -11.318 231 HB2 SER 25 2HB SER 25 -7.197 8.748 -11.854 232 HB3 SER 25 1HB SER 25 -6.273 9.818 -12.915 233 HG SER 25 HG SER 25 -5.489 9.092 -10.292 234 H ARG 26 H ARG 26 -8.165 13.029 -11.112 235 HA ARG 26 HA ARG 26 -10.734 12.453 -12.261 236 HB2 ARG 26 2HB ARG 26 -9.284 15.111 -12.284 237 HB3 ARG 26 1HB ARG 26 -11.014 14.849 -12.339 238 HG2 ARG 26 2HG ARG 26 -11.017 14.156 -10.033 239 HG3 ARG 26 1HG ARG 26 -9.257 14.289 -9.955 240 HD2 ARG 26 2HD ARG 26 -9.543 16.702 -10.654 241 HD3 ARG 26 1HD ARG 26 -11.268 16.481 -10.363 242 HE ARG 26 HE ARG 26 -10.237 15.690 -8.049 243 HH11 ARG 26 1HH1 ARG 26 -9.756 18.616 -9.977 244 HH12 ARG 26 2HH1 ARG 26 -9.168 19.570 -8.697 245 HH21 ARG 26 1HH2 ARG 26 -9.504 17.003 -6.239 246 HH22 ARG 26 2HH2 ARG 26 -9.056 18.626 -6.486 247 H ASP 27 H ASP 27 -7.610 13.575 -13.180 248 HA ASP 27 HA ASP 27 -7.786 14.353 -15.816 249 HB2 ASP 27 2HB ASP 27 -5.539 12.830 -14.487 250 HB3 ASP 27 1HB ASP 27 -5.421 13.629 -16.044 251 H ASP 28 H ASP 28 -7.388 11.132 -14.501 252 HA ASP 28 HA ASP 28 -7.254 9.922 -17.122 253 HB2 ASP 28 2HB ASP 28 -6.203 8.969 -14.999 254 HB3 ASP 28 1HB ASP 28 -7.830 8.513 -14.515 255 H ASN 29 H ASN 29 -9.505 9.554 -14.394 256 HA ASN 29 HA ASN 29 -11.825 10.423 -15.354 257 HB2 ASN 29 2HB ASN 29 -11.707 8.834 -17.286 258 HB3 ASN 29 1HB ASN 29 -11.720 7.492 -16.144 259 HD21 ASN 29 1HD2 ASN 29 -13.616 6.634 -16.834 260 HD22 ASN 29 2HD2 ASN 29 -15.153 7.370 -16.592 261 H SER 30 H SER 30 -11.543 10.681 -13.061 262 HA SER 30 HA SER 30 -12.187 10.387 -10.916 263 HB2 SER 30 2HB SER 30 -14.323 8.731 -12.253 264 HB3 SER 30 1HB SER 30 -14.444 9.468 -10.651 265 HG SER 30 HG SER 30 -14.309 11.505 -11.623 266 H VAL 31 H VAL 31 -10.204 8.457 -11.669 267 HA VAL 31 HA VAL 31 -10.931 6.195 -9.892 268 HB VAL 31 HB VAL 31 -9.044 6.108 -12.285 269 HG11 VAL 31 1HG1 VAL 31 -8.796 3.698 -11.829 270 HG12 VAL 31 2HG1 VAL 31 -9.714 3.893 -10.337 271 HG13 VAL 31 3HG1 VAL 31 -8.150 4.683 -10.517 272 HG21 VAL 31 3HG2 VAL 31 -11.657 4.716 -11.758 273 HG22 VAL 31 1HG2 VAL 31 -10.639 4.487 -13.182 274 HG23 VAL 31 2HG2 VAL 31 -11.383 6.062 -12.865 275 H GLU 32 H GLU 32 -9.496 5.530 -8.318 276 HA GLU 32 HA GLU 32 -7.318 7.379 -7.695 277 HB2 GLU 32 2HB GLU 32 -8.244 4.971 -6.114 278 HB3 GLU 32 1HB GLU 32 -7.198 6.262 -5.557 279 HG2 GLU 32 2HG GLU 32 -9.097 7.821 -5.776 280 HG3 GLU 32 1HG GLU 32 -10.112 6.450 -6.213 281 H LYS 33 H LYS 33 -5.496 6.880 -8.755 282 HA LYS 33 HA LYS 33 -4.940 4.106 -9.395 283 HB2 LYS 33 2HB LYS 33 -3.157 6.506 -9.879 284 HB3 LYS 33 1HB LYS 33 -2.926 4.899 -10.469 285 HG2 LYS 33 2HG LYS 33 -4.849 5.073 -11.923 286 HG3 LYS 33 1HG LYS 33 -5.209 6.674 -11.267 287 HD2 LYS 33 2HD LYS 33 -3.078 7.530 -12.060 288 HD3 LYS 33 1HD LYS 33 -2.639 5.941 -12.674 289 HE2 LYS 33 2HE LYS 33 -5.000 7.557 -13.609 290 HE3 LYS 33 1HE LYS 33 -3.427 7.518 -14.405 291 HZ1 LYS 33 3HZ LYS 33 -3.713 5.189 -14.846 292 HZ2 LYS 33 1HZ LYS 33 -5.045 6.045 -15.432 293 HZ3 LYS 33 2HZ LYS 33 -5.179 5.148 -14.007 294 H TYR 34 H TYR 34 -4.112 2.915 -7.913 295 HA TYR 34 HA TYR 34 -2.590 4.062 -5.755 296 HB2 TYR 34 2HB TYR 34 -3.205 1.146 -6.387 297 HB3 TYR 34 1HB TYR 34 -2.564 1.769 -4.871 298 HD1 TYR 34 2HD TYR 34 -4.068 3.677 -3.804 299 HD2 TYR 34 1HD TYR 34 -5.495 0.691 -6.459 300 HE1 TYR 34 2HE TYR 34 -6.350 4.049 -2.959 301 HE2 TYR 34 1HE TYR 34 -7.793 1.053 -5.639 302 HH TYR 34 HH TYR 34 -8.673 3.725 -3.742 303 H VAL 35 H VAL 35 -0.470 4.331 -5.949 304 HA VAL 35 HA VAL 35 0.751 3.795 -8.412 305 HB VAL 35 HB VAL 35 1.326 5.684 -6.862 306 HG11 VAL 35 1HG1 VAL 35 2.796 3.577 -5.333 307 HG12 VAL 35 2HG1 VAL 35 1.431 4.548 -4.787 308 HG13 VAL 35 3HG1 VAL 35 2.989 5.316 -5.101 309 HG21 VAL 35 3HG2 VAL 35 2.775 5.223 -8.750 310 HG22 VAL 35 1HG2 VAL 35 3.650 4.012 -7.810 311 HG23 VAL 35 2HG2 VAL 35 3.744 5.711 -7.359 312 H LEU 36 H LEU 36 2.500 2.480 -8.902 313 HA LEU 36 HA LEU 36 2.093 -0.152 -8.013 314 HB2 LEU 36 2HB LEU 36 3.910 1.047 -10.061 315 HB3 LEU 36 1HB LEU 36 3.873 -0.661 -9.698 316 HG LEU 36 HG LEU 36 2.605 -0.356 -11.653 317 HD11 LEU 36 1HD1 LEU 36 0.399 -1.114 -11.090 318 HD12 LEU 36 2HD1 LEU 36 0.639 -0.617 -9.422 319 HD13 LEU 36 3HD1 LEU 36 1.629 -1.909 -10.106 320 HD21 LEU 36 3HD2 LEU 36 1.054 1.827 -10.261 321 HD22 LEU 36 1HD2 LEU 36 0.688 1.176 -11.860 322 HD23 LEU 36 2HD2 LEU 36 2.203 2.031 -11.583 323 H THR 37 H THR 37 3.986 2.136 -6.595 324 HA THR 37 HA THR 37 6.181 0.293 -6.174 325 HB THR 37 HB THR 37 6.748 2.673 -6.604 326 HG1 THR 37 1HG THR 37 8.374 2.354 -5.451 327 HG21 THR 37 3HG2 THR 37 5.375 3.210 -3.962 328 HG22 THR 37 1HG2 THR 37 4.865 3.792 -5.546 329 HG23 THR 37 2HG2 THR 37 6.372 4.372 -4.838 330 H SER 38 H SER 38 6.766 -0.448 -4.152 331 HA SER 38 HA SER 38 4.697 -0.353 -2.108 332 HB2 SER 38 2HB SER 38 5.520 -2.795 -1.820 333 HB3 SER 38 1HB SER 38 4.386 -2.421 -3.124 334 HG SER 38 HG SER 38 5.854 -3.077 -4.468 335 H HIS 39 H HIS 39 7.275 1.086 -2.492 336 HA HIS 39 HA HIS 39 9.204 -0.049 -0.750 337 HB2 HIS 39 2HB HIS 39 8.946 2.678 -1.945 338 HB3 HIS 39 1HB HIS 39 10.140 2.379 -0.692 339 HD1 HIS 39 1HD HIS 39 12.327 1.518 -1.474 340 HD2 HIS 39 2HD HIS 39 9.317 0.845 -4.249 341 HE1 HIS 39 1HE HIS 39 13.459 0.534 -3.471 342 HE2 HIS 39 2HE HIS 39 11.681 0.399 -5.209 343 H VAL 40 H VAL 40 9.386 -0.156 1.280 344 HA VAL 40 HA VAL 40 7.324 1.016 2.894 345 HB VAL 40 HB VAL 40 8.187 -0.427 4.719 346 HG11 VAL 40 1HG1 VAL 40 7.530 -1.797 2.126 347 HG12 VAL 40 2HG1 VAL 40 6.391 -1.208 3.339 348 HG13 VAL 40 3HG1 VAL 40 7.468 -2.550 3.719 349 HG21 VAL 40 3HG2 VAL 40 9.806 -2.198 4.182 350 HG22 VAL 40 1HG2 VAL 40 10.530 -0.595 4.033 351 HG23 VAL 40 2HG2 VAL 40 10.053 -1.486 2.588 352 H SER 41 H SER 41 7.672 2.103 4.799 353 HA SER 41 HA SER 41 10.228 3.466 5.022 354 HB2 SER 41 2HB SER 41 7.503 4.153 6.165 355 HB3 SER 41 1HB SER 41 8.946 5.169 6.203 356 HG SER 41 HG SER 41 8.625 4.649 3.692 357 H LYS 42 H LYS 42 11.426 2.726 6.691 358 HA LYS 42 HA LYS 42 10.408 0.752 8.496 359 HB2 LYS 42 2HB LYS 42 12.677 0.866 9.512 360 HB3 LYS 42 1HB LYS 42 12.686 0.468 7.789 361 HG2 LYS 42 2HG LYS 42 13.403 2.764 7.338 362 HG3 LYS 42 1HG LYS 42 13.306 3.136 9.065 363 HD2 LYS 42 2HD LYS 42 14.987 1.409 9.523 364 HD3 LYS 42 1HD LYS 42 15.097 1.056 7.801 365 HE2 LYS 42 2HE LYS 42 15.732 3.714 9.073 366 HE3 LYS 42 1HE LYS 42 16.928 2.497 8.634 367 HZ1 LYS 42 3HZ LYS 42 16.779 4.179 6.962 368 HZ2 LYS 42 1HZ LYS 42 15.126 3.932 6.748 369 HZ3 LYS 42 2HZ LYS 42 16.229 2.732 6.319 370 H ASN 43 H ASN 43 9.513 3.648 8.614 371 HA ASN 43 HA ASN 43 9.880 4.048 11.489 372 HB2 ASN 43 2HB ASN 43 9.913 6.176 9.330 373 HB3 ASN 43 1HB ASN 43 9.916 6.494 11.061 374 HD21 ASN 43 1HD2 ASN 43 11.840 7.052 8.836 375 HD22 ASN 43 2HD2 ASN 43 13.337 6.395 9.394 376 H ARG 44 H ARG 44 8.006 4.631 12.490 377 HA ARG 44 HA ARG 44 5.615 4.313 10.913 378 HB2 ARG 44 2HB ARG 44 5.942 4.693 13.896 379 HB3 ARG 44 1HB ARG 44 4.423 4.363 13.081 380 HG2 ARG 44 2HG ARG 44 5.431 2.219 12.267 381 HG3 ARG 44 1HG ARG 44 6.808 2.553 13.319 382 HD2 ARG 44 2HD ARG 44 3.936 2.262 14.190 383 HD3 ARG 44 1HD ARG 44 5.196 1.047 14.382 384 HE ARG 44 HE ARG 44 6.263 3.118 15.653 385 HH11 ARG 44 1HH1 ARG 44 3.004 1.743 15.862 386 HH12 ARG 44 2HH1 ARG 44 2.758 2.136 17.489 387 HH21 ARG 44 1HH2 ARG 44 5.962 3.660 17.912 388 HH22 ARG 44 2HH2 ARG 44 4.512 3.287 18.704 389 HA PRO 45 HA PRO 45 5.271 8.708 10.479 390 HB2 PRO 45 2HB PRO 45 2.819 8.708 9.298 391 HB3 PRO 45 1HB PRO 45 4.302 8.388 8.408 392 HG2 PRO 45 2HG PRO 45 2.251 6.494 9.443 393 HG3 PRO 45 1HG PRO 45 3.219 6.414 7.959 394 HD2 PRO 45 2HD PRO 45 3.737 4.962 10.207 395 HD3 PRO 45 1HD PRO 45 4.980 5.417 9.019 396 H LYS 46 H LYS 46 4.408 10.231 11.724 397 HA LYS 46 HA LYS 46 2.554 9.387 13.774 398 HB2 LYS 46 2HB LYS 46 4.512 10.783 14.375 399 HB3 LYS 46 1HB LYS 46 3.889 12.068 13.363 400 HG2 LYS 46 2HG LYS 46 3.391 12.552 15.677 401 HG3 LYS 46 1HG LYS 46 1.899 12.240 14.794 402 HD2 LYS 46 2HD LYS 46 1.837 11.160 16.971 403 HD3 LYS 46 1HD LYS 46 1.864 9.945 15.697 404 HE2 LYS 46 2HE LYS 46 3.351 9.329 17.531 405 HE3 LYS 46 1HE LYS 46 4.269 9.616 16.061 406 HZ1 LYS 46 3HZ LYS 46 3.986 11.489 18.355 407 HZ2 LYS 46 1HZ LYS 46 4.809 11.853 16.927 408 HZ3 LYS 46 2HZ LYS 46 5.367 10.632 17.911 409 H ASN 47 H ASN 47 2.698 12.322 11.755 410 HA ASN 47 HA ASN 47 -0.209 12.161 11.624 411 HB2 ASN 47 2HB ASN 47 0.669 14.194 12.749 412 HB3 ASN 47 1HB ASN 47 1.481 14.641 11.249 413 HD21 ASN 47 1HD2 ASN 47 -1.567 14.199 12.812 414 HD22 ASN 47 2HD2 ASN 47 -2.533 15.136 11.753 415 H ALA 48 H ALA 48 -0.352 10.862 9.985 416 HA ALA 48 HA ALA 48 -0.222 12.019 7.397 417 HB1 ALA 48 1HB ALA 48 1.349 9.508 8.047 418 HB2 ALA 48 2HB ALA 48 2.045 11.051 7.551 419 HB3 ALA 48 3HB ALA 48 1.046 10.135 6.425 420 H ILE 49 H ILE 49 -1.537 10.625 5.982 421 HA ILE 49 HA ILE 49 -3.531 9.356 7.625 422 HB ILE 49 HB ILE 49 -3.511 9.766 4.622 423 HG12 ILE 49 2HG1 ILE 49 -3.537 11.906 5.766 424 HG13 ILE 49 1HG1 ILE 49 -5.130 11.593 5.085 425 HG21 ILE 49 1HG2 ILE 49 -4.957 7.917 5.268 426 HG22 ILE 49 2HG2 ILE 49 -5.922 9.298 4.740 427 HG23 ILE 49 3HG2 ILE 49 -5.758 8.945 6.461 428 HD11 ILE 49 3HD1 ILE 49 -4.305 11.341 7.974 429 HD12 ILE 49 1HD1 ILE 49 -5.885 10.884 7.330 430 HD13 ILE 49 2HD1 ILE 49 -5.357 12.561 7.261 431 H VAL 50 H VAL 50 -3.526 7.356 8.063 432 HA VAL 50 HA VAL 50 -2.018 5.561 6.352 433 HB VAL 50 HB VAL 50 -1.945 3.973 8.256 434 HG11 VAL 50 1HG1 VAL 50 -0.089 5.476 7.978 435 HG12 VAL 50 2HG1 VAL 50 -0.394 5.233 9.696 436 HG13 VAL 50 3HG1 VAL 50 -0.911 6.725 8.912 437 HG21 VAL 50 3HG2 VAL 50 -2.593 4.702 10.525 438 HG22 VAL 50 1HG2 VAL 50 -3.982 4.625 9.440 439 HG23 VAL 50 2HG2 VAL 50 -3.268 6.183 9.845 440 H ILE 51 H ILE 51 -3.060 4.182 5.187 441 HA ILE 51 HA ILE 51 -5.918 3.707 5.735 442 HB ILE 51 HB ILE 51 -4.410 3.300 3.117 443 HG12 ILE 51 2HG1 ILE 51 -6.285 5.560 3.887 444 HG13 ILE 51 1HG1 ILE 51 -4.540 5.702 3.717 445 HG21 ILE 51 1HG2 ILE 51 -7.366 3.277 3.742 446 HG22 ILE 51 2HG2 ILE 51 -6.367 1.871 3.385 447 HG23 ILE 51 3HG2 ILE 51 -6.652 3.089 2.140 448 HD11 ILE 51 3HD1 ILE 51 -5.681 6.587 1.763 449 HD12 ILE 51 1HD1 ILE 51 -6.487 5.039 1.511 450 HD13 ILE 51 2HD1 ILE 51 -4.740 5.159 1.333 451 H LYS 52 H LYS 52 -6.417 1.623 6.302 452 HA LYS 52 HA LYS 52 -4.169 -0.162 6.691 453 HB2 LYS 52 2HB LYS 52 -6.116 0.286 8.325 454 HB3 LYS 52 1HB LYS 52 -7.053 -0.767 7.277 455 HG2 LYS 52 2HG LYS 52 -5.430 -2.564 7.671 456 HG3 LYS 52 1HG LYS 52 -4.563 -1.503 8.784 457 HD2 LYS 52 2HD LYS 52 -6.694 -1.277 10.078 458 HD3 LYS 52 1HD LYS 52 -7.374 -2.534 9.044 459 HE2 LYS 52 2HE LYS 52 -6.591 -3.621 11.011 460 HE3 LYS 52 1HE LYS 52 -5.443 -3.984 9.724 461 HZ1 LYS 52 3HZ LYS 52 -4.210 -3.420 11.655 462 HZ2 LYS 52 1HZ LYS 52 -5.106 -2.010 11.909 463 HZ3 LYS 52 2HZ LYS 52 -4.064 -2.080 10.625 464 H MET 53 H MET 53 -4.135 -2.364 5.970 465 HA MET 53 HA MET 53 -4.341 -2.781 3.251 466 HB2 MET 53 2HB MET 53 -4.495 -4.851 5.442 467 HB3 MET 53 1HB MET 53 -4.407 -5.263 3.745 468 HG2 MET 53 2HG MET 53 -2.197 -4.120 3.639 469 HG3 MET 53 1HG MET 53 -2.304 -3.851 5.379 470 HE1 MET 53 3HE MET 53 0.130 -5.216 5.619 471 HE2 MET 53 1HE MET 53 0.113 -5.453 3.871 472 HE3 MET 53 2HE MET 53 0.357 -6.830 4.939 473 H ASP 54 H ASP 54 -6.774 -3.282 5.637 474 HA ASP 54 HA ASP 54 -8.660 -4.874 4.418 475 HB2 ASP 54 2HB ASP 54 -8.788 -4.149 6.740 476 HB3 ASP 54 1HB ASP 54 -9.110 -2.500 6.228 477 H ASN 55 H ASN 55 -7.988 -1.496 3.776 478 HA ASN 55 HA ASN 55 -10.451 -1.171 2.240 479 HB2 ASN 55 2HB ASN 55 -9.787 0.625 3.774 480 HB3 ASN 55 1HB ASN 55 -8.264 0.805 2.923 481 HD21 ASN 55 1HD2 ASN 55 -8.216 1.973 1.021 482 HD22 ASN 55 2HD2 ASN 55 -9.548 2.870 0.412 483 H LEU 56 H LEU 56 -7.353 -2.248 1.582 484 HA LEU 56 HA LEU 56 -7.270 -0.974 -1.024 485 HB2 LEU 56 2HB LEU 56 -5.172 -2.516 0.484 486 HB3 LEU 56 1HB LEU 56 -4.987 -2.135 -1.209 487 HG LEU 56 HG LEU 56 -3.724 -0.569 0.058 488 HD11 LEU 56 1HD1 LEU 56 -4.818 0.341 -1.902 489 HD12 LEU 56 2HD1 LEU 56 -4.644 1.554 -0.637 490 HD13 LEU 56 3HD1 LEU 56 -6.211 0.810 -0.921 491 HD21 LEU 56 3HD2 LEU 56 -4.741 -0.692 2.220 492 HD22 LEU 56 1HD2 LEU 56 -6.252 -0.031 1.588 493 HD23 LEU 56 2HD2 LEU 56 -4.832 0.987 1.671 494 HA PRO 57 HA PRO 57 -8.818 -4.476 -3.245 495 HB2 PRO 57 2HB PRO 57 -6.908 -3.628 -5.361 496 HB3 PRO 57 1HB PRO 57 -8.656 -3.853 -5.453 497 HG2 PRO 57 2HG PRO 57 -7.606 -1.417 -5.434 498 HG3 PRO 57 1HG PRO 57 -9.110 -1.773 -4.565 499 HD2 PRO 57 2HD PRO 57 -6.341 -1.436 -3.500 500 HD3 PRO 57 1HD PRO 57 -7.894 -0.877 -2.844 501 H ILE 58 H ILE 58 -8.088 -6.507 -4.113 502 HA ILE 58 HA ILE 58 -5.966 -7.548 -2.663 503 HB ILE 58 HB ILE 58 -6.237 -9.684 -3.952 504 HG12 ILE 58 2HG1 ILE 58 -8.464 -9.848 -5.256 505 HG13 ILE 58 1HG1 ILE 58 -8.364 -8.103 -5.417 506 HG21 ILE 58 1HG2 ILE 58 -8.698 -8.517 -2.713 507 HG22 ILE 58 2HG2 ILE 58 -7.371 -9.316 -1.884 508 HG23 ILE 58 3HG2 ILE 58 -8.401 -10.231 -2.987 509 HD11 ILE 58 3HD1 ILE 58 -6.242 -8.364 -6.620 510 HD12 ILE 58 1HD1 ILE 58 -7.561 -9.226 -7.413 511 HD13 ILE 58 2HD1 ILE 58 -6.372 -10.113 -6.456 512 H GLU 59 H GLU 59 -5.921 -6.349 -5.929 513 HA GLU 59 HA GLU 59 -3.431 -7.517 -6.523 514 HB2 GLU 59 2HB GLU 59 -3.376 -6.026 -8.478 515 HB3 GLU 59 1HB GLU 59 -4.936 -6.806 -8.305 516 HG2 GLU 59 2HG GLU 59 -5.797 -4.782 -8.613 517 HG3 GLU 59 1HG GLU 59 -5.269 -4.426 -6.968 518 H VAL 60 H VAL 60 -4.332 -4.575 -4.907 519 HA VAL 60 HA VAL 60 -1.713 -3.439 -4.927 520 HB VAL 60 HB VAL 60 -4.004 -2.873 -3.011 521 HG11 VAL 60 1HG1 VAL 60 -2.884 -0.720 -2.618 522 HG12 VAL 60 2HG1 VAL 60 -1.562 -1.222 -3.669 523 HG13 VAL 60 3HG1 VAL 60 -1.860 -2.082 -2.159 524 HG21 VAL 60 3HG2 VAL 60 -3.263 -1.485 -5.584 525 HG22 VAL 60 1HG2 VAL 60 -4.487 -0.929 -4.444 526 HG23 VAL 60 2HG2 VAL 60 -4.704 -2.459 -5.295 527 H LYS 61 H LYS 61 -3.654 -5.261 -2.618 528 HA LYS 61 HA LYS 61 -1.706 -5.365 -0.590 529 HB2 LYS 61 2HB LYS 61 -3.980 -7.275 -1.141 530 HB3 LYS 61 1HB LYS 61 -3.004 -7.283 0.321 531 HG2 LYS 61 2HG LYS 61 -3.759 -4.972 0.789 532 HG3 LYS 61 1HG LYS 61 -4.817 -5.068 -0.618 533 HD2 LYS 61 2HD LYS 61 -4.944 -6.898 1.788 534 HD3 LYS 61 1HD LYS 61 -5.999 -5.515 1.520 535 HE2 LYS 61 2HE LYS 61 -6.819 -6.592 -0.552 536 HE3 LYS 61 1HE LYS 61 -5.787 -7.978 -0.213 537 HZ1 LYS 61 3HZ LYS 61 -8.023 -8.412 0.519 538 HZ2 LYS 61 1HZ LYS 61 -8.049 -7.033 1.480 539 HZ3 LYS 61 2HZ LYS 61 -7.027 -8.312 1.862 540 H ASP 62 H ASP 62 -2.291 -7.401 -3.371 541 HA ASP 62 HA ASP 62 -0.519 -9.468 -2.715 542 HB2 ASP 62 2HB ASP 62 -2.171 -9.624 -4.547 543 HB3 ASP 62 1HB ASP 62 -1.236 -8.455 -5.473 544 H LYS 63 H LYS 63 0.039 -6.470 -4.584 545 HA LYS 63 HA LYS 63 2.767 -6.927 -5.020 546 HB2 LYS 63 2HB LYS 63 1.200 -4.361 -4.878 547 HB3 LYS 63 1HB LYS 63 2.919 -4.396 -5.252 548 HG2 LYS 63 2HG LYS 63 2.396 -5.910 -7.163 549 HG3 LYS 63 1HG LYS 63 0.696 -5.678 -6.809 550 HD2 LYS 63 2HD LYS 63 2.540 -3.357 -7.359 551 HD3 LYS 63 1HD LYS 63 1.646 -4.186 -8.633 552 HE2 LYS 63 2HE LYS 63 0.407 -2.853 -6.219 553 HE3 LYS 63 1HE LYS 63 0.503 -2.152 -7.832 554 HZ1 LYS 63 3HZ LYS 63 -1.671 -3.201 -7.558 555 HZ2 LYS 63 1HZ LYS 63 -0.941 -4.649 -7.110 556 HZ3 LYS 63 2HZ LYS 63 -0.767 -4.069 -8.651 557 H LEU 64 H LEU 64 1.117 -5.322 -2.350 558 HA LEU 64 HA LEU 64 3.342 -4.524 -0.854 559 HB2 LEU 64 2HB LEU 64 0.681 -5.584 0.110 560 HB3 LEU 64 1HB LEU 64 1.857 -4.803 1.140 561 HG LEU 64 HG LEU 64 0.398 -3.482 -1.155 562 HD11 LEU 64 1HD1 LEU 64 -1.064 -3.984 0.767 563 HD12 LEU 64 2HD1 LEU 64 -0.776 -2.256 0.590 564 HD13 LEU 64 3HD1 LEU 64 0.079 -3.165 1.832 565 HD21 LEU 64 3HD2 LEU 64 2.612 -2.521 -0.811 566 HD22 LEU 64 1HD2 LEU 64 2.277 -2.401 0.921 567 HD23 LEU 64 2HD2 LEU 64 1.359 -1.421 -0.226 568 H THR 65 H THR 65 1.613 -7.572 -0.926 569 HA THR 65 HA THR 65 3.139 -8.882 0.999 570 HB THR 65 HB THR 65 1.610 -10.092 -1.322 571 HG1 THR 65 1HG THR 65 0.258 -8.802 -0.078 572 HG21 THR 65 3HG2 THR 65 3.105 -11.703 -0.220 573 HG22 THR 65 1HG2 THR 65 1.421 -12.066 0.156 574 HG23 THR 65 2HG2 THR 65 2.438 -11.262 1.353 575 H ARG 66 H ARG 66 3.433 -8.767 -2.538 576 HA ARG 66 HA ARG 66 5.565 -10.556 -2.744 577 HB2 ARG 66 2HB ARG 66 4.763 -8.335 -4.618 578 HB3 ARG 66 1HB ARG 66 5.992 -9.532 -4.980 579 HG2 ARG 66 2HG ARG 66 4.276 -11.308 -4.753 580 HG3 ARG 66 1HG ARG 66 3.063 -10.053 -4.497 581 HD2 ARG 66 2HD ARG 66 3.564 -9.115 -6.706 582 HD3 ARG 66 1HD ARG 66 4.796 -10.354 -6.949 583 HE ARG 66 HE ARG 66 1.958 -10.999 -6.567 584 HH11 ARG 66 1HH1 ARG 66 4.919 -11.244 -8.541 585 HH12 ARG 66 2HH1 ARG 66 4.311 -12.453 -9.558 586 HH21 ARG 66 1HH2 ARG 66 1.153 -12.700 -7.966 587 HH22 ARG 66 2HH2 ARG 66 2.113 -13.316 -9.232 588 H PHE 67 H PHE 67 5.602 -7.187 -1.889 589 HA PHE 67 HA PHE 67 8.403 -6.913 -2.481 590 HB2 PHE 67 2HB PHE 67 6.831 -5.000 -2.678 591 HB3 PHE 67 1HB PHE 67 6.618 -5.029 -0.935 592 HD1 PHE 67 1HD PHE 67 8.439 -4.233 0.550 593 HD2 PHE 67 2HD PHE 67 8.835 -4.109 -3.684 594 HE1 PHE 67 1HE PHE 67 10.334 -2.689 0.776 595 HE2 PHE 67 2HE PHE 67 10.737 -2.570 -3.460 596 HZ PHE 67 HZ PHE 67 11.487 -1.856 -1.232 597 H PHE 68 H PHE 68 6.544 -6.832 0.579 598 HA PHE 68 HA PHE 68 9.143 -7.240 1.921 599 HB2 PHE 68 2HB PHE 68 8.187 -6.008 3.859 600 HB3 PHE 68 1HB PHE 68 8.418 -5.045 2.409 601 HD1 PHE 68 1HD PHE 68 5.889 -6.720 4.525 602 HD2 PHE 68 2HD PHE 68 6.578 -4.000 1.324 603 HE1 PHE 68 1HE PHE 68 3.535 -6.006 4.620 604 HE2 PHE 68 2HE PHE 68 4.241 -3.291 1.414 605 HZ PHE 68 HZ PHE 68 2.715 -4.290 3.052 606 H LEU 69 H LEU 69 6.292 -8.904 1.449 607 HA LEU 69 HA LEU 69 6.550 -10.086 4.131 608 HB2 LEU 69 2HB LEU 69 4.450 -8.851 3.615 609 HB3 LEU 69 1HB LEU 69 4.128 -10.007 2.359 610 HG LEU 69 HG LEU 69 3.889 -11.808 4.001 611 HD11 LEU 69 1HD1 LEU 69 4.334 -9.637 6.054 612 HD12 LEU 69 2HD1 LEU 69 5.412 -10.997 5.729 613 HD13 LEU 69 3HD1 LEU 69 3.808 -11.282 6.396 614 HD21 LEU 69 3HD2 LEU 69 1.793 -11.028 5.017 615 HD22 LEU 69 1HD2 LEU 69 1.917 -10.535 3.332 616 HD23 LEU 69 2HD2 LEU 69 2.202 -9.362 4.612 617 H LEU 70 H LEU 70 5.128 -11.080 1.068 618 HA LEU 70 HA LEU 70 4.992 -12.917 -0.130 619 HB2 LEU 70 2HB LEU 70 7.818 -13.226 0.858 620 HB3 LEU 70 1HB LEU 70 7.093 -14.326 -0.296 621 HG LEU 70 HG LEU 70 7.351 -11.364 -0.794 622 HD11 LEU 70 1HD1 LEU 70 9.571 -12.382 -0.494 623 HD12 LEU 70 2HD1 LEU 70 9.277 -11.938 -2.174 624 HD13 LEU 70 3HD1 LEU 70 9.151 -13.625 -1.674 625 HD21 LEU 70 3HD2 LEU 70 6.836 -13.727 -2.598 626 HD22 LEU 70 1HD2 LEU 70 6.993 -12.052 -3.116 627 HD23 LEU 70 2HD2 LEU 70 5.638 -12.539 -2.097 628 H GLU 71 H GLU 71 6.870 -13.945 2.389 629 HA GLU 71 HA GLU 71 5.078 -15.781 3.672 630 HB2 GLU 71 2HB GLU 71 7.295 -16.929 1.922 631 HB3 GLU 71 1HB GLU 71 6.482 -17.830 3.183 632 HG2 GLU 71 2HG GLU 71 4.420 -17.794 1.966 633 HG3 GLU 71 1HG GLU 71 5.089 -16.669 0.782 634 H HIS 72 H HIS 72 8.452 -15.409 2.781 635 HA HIS 72 HA HIS 72 9.289 -15.329 5.591 636 HB2 HIS 72 2HB HIS 72 10.159 -17.198 4.223 637 HB3 HIS 72 1HB HIS 72 10.787 -16.056 3.057 638 HD1 HIS 72 1HD HIS 72 11.559 -17.739 6.233 639 HD2 HIS 72 2HD HIS 72 13.137 -14.654 3.944 640 HE1 HIS 72 1HE HIS 72 13.905 -17.402 7.073 641 HE2 HIS 72 2HE HIS 72 14.901 -15.739 5.484 642 H HIS 73 H HIS 73 10.276 -13.461 6.240 643 HA HIS 73 HA HIS 73 10.971 -11.534 4.132 644 HB2 HIS 73 2HB HIS 73 10.290 -9.671 5.532 645 HB3 HIS 73 1HB HIS 73 8.951 -10.792 5.426 646 HD1 HIS 73 1HD HIS 73 8.162 -11.855 7.638 647 HD2 HIS 73 2HD HIS 73 11.462 -9.388 8.064 648 HE1 HIS 73 1HE HIS 73 8.371 -11.447 10.086 649 HE2 HIS 73 2HE HIS 73 10.039 -9.573 10.181 650 H HIS 74 H HIS 74 12.683 -10.018 4.751 651 HA HIS 74 HA HIS 74 14.600 -11.464 6.396 652 HB2 HIS 74 2HB HIS 74 16.396 -10.085 5.340 653 HB3 HIS 74 1HB HIS 74 15.475 -11.023 4.185 654 HD1 HIS 74 1HD HIS 74 14.437 -9.767 2.277 655 HD2 HIS 74 2HD HIS 74 15.854 -7.265 5.259 656 HE1 HIS 74 1HE HIS 74 14.286 -7.475 1.345 657 HE2 HIS 74 2HE HIS 74 15.459 -6.050 3.002 658 H HIS 75 H HIS 75 16.004 -10.314 7.848 659 HA HIS 75 HA HIS 75 14.346 -8.888 9.620 660 HB2 HIS 75 2HB HIS 75 15.903 -10.526 10.488 661 HB3 HIS 75 1HB HIS 75 17.269 -9.621 9.861 662 HD1 HIS 75 1HD HIS 75 14.647 -9.480 12.592 663 HD2 HIS 75 2HD HIS 75 18.202 -7.598 11.533 664 HE1 HIS 75 1HE HIS 75 15.255 -8.017 14.537 665 HE2 HIS 75 2HE HIS 75 17.350 -6.826 13.836 666 H HIS 76 H HIS 76 14.135 -6.878 10.125 667 HA HIS 76 HA HIS 76 15.956 -4.924 10.467 668 HB2 HIS 76 2HB HIS 76 15.458 -3.266 8.689 669 HB3 HIS 76 1HB HIS 76 16.134 -4.699 7.950 670 HD1 HIS 76 1HD HIS 76 12.861 -2.724 8.189 671 HD2 HIS 76 2HD HIS 76 14.469 -5.973 6.124 672 HE1 HIS 76 1HE HIS 76 11.356 -3.121 6.280 673 HE2 HIS 76 2HE HIS 76 12.193 -5.213 5.193 674 H HIS 77 H HIS 77 14.434 -2.705 10.534 675 HA HIS 77 HA HIS 77 12.099 -3.623 11.967 676 HB2 HIS 77 2HB HIS 77 13.449 -1.667 12.835 677 HB3 HIS 77 1HB HIS 77 12.967 -0.762 11.402 678 HD1 HIS 77 1HD HIS 77 10.956 0.705 11.766 679 HD2 HIS 77 2HD HIS 77 11.016 -2.517 14.399 680 HE1 HIS 77 1HE HIS 77 8.989 1.008 13.250 681 HE2 HIS 77 2HE HIS 77 8.990 -0.961 14.792 Start of MODEL 8 1 H1 MET 1 1HT MET 1 0.174 10.332 -18.473 2 H2 MET 1 2HT MET 1 1.416 9.813 -19.447 3 H3 MET 1 3HT MET 1 1.761 10.490 -17.945 4 HA MET 1 HA MET 1 0.290 7.969 -18.438 5 HB2 MET 1 2HB MET 1 3.074 8.430 -17.333 6 HB3 MET 1 1HB MET 1 2.218 6.905 -17.228 7 HG2 MET 1 2HG MET 1 2.211 6.693 -19.621 8 HG3 MET 1 1HG MET 1 2.939 8.283 -19.805 9 HE1 MET 1 2HE MET 1 3.887 5.556 -17.069 10 HE2 MET 1 3HE MET 1 5.130 4.659 -17.939 11 HE3 MET 1 1HE MET 1 3.460 4.618 -18.504 12 H LEU 2 H LEU 2 1.883 9.909 -15.865 13 HA LEU 2 HA LEU 2 -0.007 8.721 -13.977 14 HB2 LEU 2 2HB LEU 2 2.418 8.253 -13.681 15 HB3 LEU 2 1HB LEU 2 2.715 9.962 -13.537 16 HG LEU 2 HG LEU 2 0.971 8.493 -11.559 17 HD11 LEU 2 1HD1 LEU 2 3.960 8.902 -11.486 18 HD12 LEU 2 2HD1 LEU 2 3.128 7.356 -11.669 19 HD13 LEU 2 3HD1 LEU 2 2.975 8.268 -10.169 20 HD21 LEU 2 3HD2 LEU 2 2.626 11.017 -11.392 21 HD22 LEU 2 1HD2 LEU 2 1.688 10.327 -10.068 22 HD23 LEU 2 2HD2 LEU 2 0.868 10.943 -11.500 23 H LYS 3 H LYS 3 -1.397 10.021 -12.904 24 HA LYS 3 HA LYS 3 -1.075 12.931 -13.171 25 HB2 LYS 3 2HB LYS 3 -3.538 11.267 -13.617 26 HB3 LYS 3 1HB LYS 3 -3.637 12.959 -13.190 27 HG2 LYS 3 2HG LYS 3 -2.282 11.860 -15.651 28 HG3 LYS 3 1HG LYS 3 -3.907 12.543 -15.591 29 HD2 LYS 3 2HD LYS 3 -2.850 14.652 -14.679 30 HD3 LYS 3 1HD LYS 3 -1.289 13.944 -15.096 31 HE2 LYS 3 2HE LYS 3 -1.946 15.378 -16.885 32 HE3 LYS 3 1HE LYS 3 -2.106 13.713 -17.443 33 HZ1 LYS 3 3HZ LYS 3 -4.320 15.480 -16.538 34 HZ2 LYS 3 1HZ LYS 3 -4.553 13.886 -17.055 35 HZ3 LYS 3 2HZ LYS 3 -3.990 15.044 -18.117 36 H HIS 4 H HIS 4 -1.191 13.988 -11.340 37 HA HIS 4 HA HIS 4 -1.636 14.659 -9.220 38 HB2 HIS 4 2HB HIS 4 -3.636 15.234 -10.394 39 HB3 HIS 4 1HB HIS 4 -4.272 13.614 -10.206 40 HD1 HIS 4 1HD HIS 4 -5.965 13.441 -8.529 41 HD2 HIS 4 2HD HIS 4 -3.409 16.576 -7.739 42 HE1 HIS 4 1HE HIS 4 -6.901 14.555 -6.465 43 HE2 HIS 4 2HE HIS 4 -5.577 16.671 -6.348 44 H GLY 5 H GLY 5 -0.410 13.422 -7.757 45 HA2 GLY 5 2HA GLY 5 -1.934 11.244 -6.475 46 HA3 GLY 5 1HA GLY 5 -0.227 11.078 -6.838 47 H LYS 6 H LYS 6 -1.878 11.061 -4.319 48 HA LYS 6 HA LYS 6 -0.367 13.075 -2.743 49 HB2 LYS 6 2HB LYS 6 -2.915 11.561 -2.108 50 HB3 LYS 6 1HB LYS 6 -1.977 12.351 -0.864 51 HG2 LYS 6 2HG LYS 6 -3.808 13.761 -1.391 52 HG3 LYS 6 1HG LYS 6 -2.371 14.513 -2.067 53 HD2 LYS 6 2HD LYS 6 -2.976 13.728 -4.280 54 HD3 LYS 6 1HD LYS 6 -4.366 12.866 -3.616 55 HE2 LYS 6 2HE LYS 6 -3.938 15.845 -3.444 56 HE3 LYS 6 1HE LYS 6 -4.964 15.055 -4.638 57 HZ1 LYS 6 3HZ LYS 6 -6.321 14.205 -2.781 58 HZ2 LYS 6 1HZ LYS 6 -6.291 15.880 -2.805 59 HZ3 LYS 6 2HZ LYS 6 -5.372 15.038 -1.680 60 H TYR 7 H TYR 7 0.723 12.310 -0.823 61 HA TYR 7 HA TYR 7 1.309 9.442 -0.912 62 HB2 TYR 7 2HB TYR 7 2.925 11.769 0.080 63 HB3 TYR 7 1HB TYR 7 3.264 10.135 0.628 64 HD1 TYR 7 2HD TYR 7 3.984 8.433 -0.984 65 HD2 TYR 7 1HD TYR 7 3.577 12.510 -2.099 66 HE1 TYR 7 2HE TYR 7 5.379 8.016 -2.954 67 HE2 TYR 7 1HE TYR 7 4.972 12.108 -4.086 68 HH TYR 7 HH TYR 7 6.679 10.502 -4.812 69 H VAL 8 H VAL 8 0.363 8.227 0.499 70 HA VAL 8 HA VAL 8 0.036 9.206 3.231 71 HB VAL 8 HB VAL 8 -2.090 7.975 3.472 72 HG11 VAL 8 1HG1 VAL 8 -3.575 9.414 2.156 73 HG12 VAL 8 2HG1 VAL 8 -2.188 9.950 1.207 74 HG13 VAL 8 3HG1 VAL 8 -2.270 10.313 2.931 75 HG21 VAL 8 3HG2 VAL 8 -1.883 7.459 0.507 76 HG22 VAL 8 1HG2 VAL 8 -3.286 7.088 1.510 77 HG23 VAL 8 2HG2 VAL 8 -1.756 6.255 1.788 78 H TYR 9 H TYR 9 -0.683 6.952 4.504 79 HA TYR 9 HA TYR 9 1.324 4.999 3.631 80 HB2 TYR 9 2HB TYR 9 0.779 5.986 6.420 81 HB3 TYR 9 1HB TYR 9 1.731 4.548 6.067 82 HD1 TYR 9 1HD TYR 9 1.580 8.214 5.786 83 HD2 TYR 9 2HD TYR 9 4.026 4.762 5.389 84 HE1 TYR 9 1HE TYR 9 3.557 9.638 5.673 85 HE2 TYR 9 2HE TYR 9 6.024 6.187 5.273 86 HH TYR 9 HH TYR 9 5.855 9.529 6.054 87 H ILE 10 H ILE 10 0.823 2.906 3.990 88 HA ILE 10 HA ILE 10 -1.969 2.402 4.729 89 HB ILE 10 HB ILE 10 -0.003 0.521 3.375 90 HG12 ILE 10 2HG1 ILE 10 -0.542 2.315 1.855 91 HG13 ILE 10 1HG1 ILE 10 -1.373 0.856 1.336 92 HG21 ILE 10 1HG2 ILE 10 -1.652 -0.713 4.625 93 HG22 ILE 10 2HG2 ILE 10 -1.930 -0.898 2.894 94 HG23 ILE 10 3HG2 ILE 10 -2.951 0.186 3.841 95 HD11 ILE 10 3HD1 ILE 10 -3.428 1.726 2.419 96 HD12 ILE 10 1HD1 ILE 10 -2.844 2.742 1.092 97 HD13 ILE 10 2HD1 ILE 10 -2.557 3.225 2.756 98 H ASP 11 H ASP 11 -2.468 1.299 6.493 99 HA ASP 11 HA ASP 11 -0.442 0.963 8.483 100 HB2 ASP 11 2HB ASP 11 -2.638 1.767 9.194 101 HB3 ASP 11 1HB ASP 11 -3.398 0.297 8.607 102 H LEU 12 H LEU 12 0.909 -0.503 7.821 103 HA LEU 12 HA LEU 12 0.141 -3.193 7.182 104 HB2 LEU 12 2HB LEU 12 2.828 -2.110 8.003 105 HB3 LEU 12 1HB LEU 12 2.524 -3.640 7.208 106 HG LEU 12 HG LEU 12 2.055 -0.924 5.993 107 HD11 LEU 12 1HD1 LEU 12 3.973 -1.495 4.589 108 HD12 LEU 12 2HD1 LEU 12 4.243 -2.940 5.563 109 HD13 LEU 12 3HD1 LEU 12 4.393 -1.337 6.289 110 HD21 LEU 12 3HD2 LEU 12 1.852 -3.698 4.819 111 HD22 LEU 12 1HD2 LEU 12 1.743 -2.190 3.902 112 HD23 LEU 12 2HD2 LEU 12 0.525 -2.578 5.115 113 H ASN 13 H ASN 13 0.753 -1.307 9.882 114 HA ASN 13 HA ASN 13 0.298 -1.494 12.060 115 HB2 ASN 13 2HB ASN 13 -1.632 -2.814 11.178 116 HB3 ASN 13 1HB ASN 13 -0.717 -4.277 11.517 117 HD21 ASN 13 1HD2 ASN 13 -2.340 -1.559 12.821 118 HD22 ASN 13 2HD2 ASN 13 -2.513 -2.149 14.442 119 H ASN 14 H ASN 14 2.312 -3.845 10.679 120 HA ASN 14 HA ASN 14 3.218 -5.001 13.173 121 HB2 ASN 14 2HB ASN 14 4.685 -6.414 11.826 122 HB3 ASN 14 1HB ASN 14 3.064 -6.403 11.148 123 HD21 ASN 14 1HD2 ASN 14 2.721 -5.366 9.135 124 HD22 ASN 14 2HD2 ASN 14 4.050 -4.989 8.101 125 H GLY 15 H GLY 15 3.699 -2.107 12.405 126 HA2 GLY 15 2HA GLY 15 5.307 -0.814 13.627 127 HA3 GLY 15 1HA GLY 15 6.454 -2.131 13.440 128 H LYS 16 H LYS 16 5.257 -1.948 10.505 129 HA LYS 16 HA LYS 16 6.907 0.326 9.722 130 HB2 LYS 16 2HB LYS 16 7.645 -0.898 7.733 131 HB3 LYS 16 1HB LYS 16 8.115 -1.736 9.201 132 HG2 LYS 16 2HG LYS 16 6.240 -3.300 8.897 133 HG3 LYS 16 1HG LYS 16 5.794 -2.461 7.415 134 HD2 LYS 16 2HD LYS 16 7.070 -4.456 6.873 135 HD3 LYS 16 1HD LYS 16 8.007 -3.019 6.464 136 HE2 LYS 16 2HE LYS 16 9.258 -3.242 8.560 137 HE3 LYS 16 1HE LYS 16 8.321 -4.679 8.967 138 HZ1 LYS 16 3HZ LYS 16 10.113 -4.369 6.629 139 HZ2 LYS 16 1HZ LYS 16 9.284 -5.785 7.039 140 HZ3 LYS 16 2HZ LYS 16 10.480 -5.187 8.050 141 H TYR 17 H TYR 17 6.246 1.288 7.713 142 HA TYR 17 HA TYR 17 3.478 0.713 6.997 143 HB2 TYR 17 2HB TYR 17 4.640 3.372 7.811 144 HB3 TYR 17 1HB TYR 17 3.233 3.266 6.763 145 HD1 TYR 17 1HD TYR 17 4.484 2.250 10.128 146 HD2 TYR 17 2HD TYR 17 1.110 3.002 7.662 147 HE1 TYR 17 1HE TYR 17 3.000 2.035 12.083 148 HE2 TYR 17 2HE TYR 17 -0.359 2.794 9.607 149 HH TYR 17 HH TYR 17 -0.301 1.669 11.742 150 H VAL 18 H VAL 18 2.967 1.217 4.878 151 HA VAL 18 HA VAL 18 5.325 1.551 3.212 152 HB VAL 18 HB VAL 18 4.092 -0.501 2.670 153 HG11 VAL 18 1HG1 VAL 18 1.948 0.077 3.531 154 HG12 VAL 18 2HG1 VAL 18 1.804 -0.472 1.856 155 HG13 VAL 18 3HG1 VAL 18 1.708 1.251 2.239 156 HG21 VAL 18 3HG2 VAL 18 5.105 0.648 0.781 157 HG22 VAL 18 1HG2 VAL 18 3.637 1.598 0.556 158 HG23 VAL 18 2HG2 VAL 18 3.608 -0.143 0.289 159 H LYS 19 H LYS 19 5.554 3.169 1.894 160 HA LYS 19 HA LYS 19 3.778 5.424 2.273 161 HB2 LYS 19 2HB LYS 19 6.204 5.659 2.625 162 HB3 LYS 19 1HB LYS 19 6.494 5.137 0.979 163 HG2 LYS 19 2HG LYS 19 5.487 7.139 0.120 164 HG3 LYS 19 1HG LYS 19 5.027 7.648 1.754 165 HD2 LYS 19 2HD LYS 19 7.357 7.713 2.410 166 HD3 LYS 19 1HD LYS 19 7.850 7.170 0.808 167 HE2 LYS 19 2HE LYS 19 6.981 9.214 -0.162 168 HE3 LYS 19 1HE LYS 19 6.382 9.724 1.415 169 HZ1 LYS 19 3HZ LYS 19 9.253 9.248 0.790 170 HZ2 LYS 19 1HZ LYS 19 8.616 9.807 2.240 171 HZ3 LYS 19 2HZ LYS 19 8.540 10.771 0.862 172 H VAL 20 H VAL 20 2.153 5.471 0.886 173 HA VAL 20 HA VAL 20 2.662 4.463 -1.802 174 HB VAL 20 HB VAL 20 1.224 2.945 -0.517 175 HG11 VAL 20 1HG1 VAL 20 -1.052 3.590 0.116 176 HG12 VAL 20 2HG1 VAL 20 -0.666 5.262 -0.294 177 HG13 VAL 20 3HG1 VAL 20 0.192 4.455 1.019 178 HG21 VAL 20 3HG2 VAL 20 -0.666 2.785 -2.117 179 HG22 VAL 20 1HG2 VAL 20 0.894 3.006 -2.911 180 HG23 VAL 20 2HG2 VAL 20 -0.217 4.366 -2.755 181 H ARG 21 H ARG 21 2.137 5.668 -3.422 182 HA ARG 21 HA ARG 21 0.962 8.256 -2.906 183 HB2 ARG 21 2HB ARG 21 3.046 8.336 -4.130 184 HB3 ARG 21 1HB ARG 21 2.457 7.175 -5.306 185 HG2 ARG 21 2HG ARG 21 0.971 8.742 -6.250 186 HG3 ARG 21 1HG ARG 21 1.191 9.867 -4.914 187 HD2 ARG 21 2HD ARG 21 2.398 10.519 -6.999 188 HD3 ARG 21 1HD ARG 21 3.432 10.349 -5.589 189 HE ARG 21 HE ARG 21 3.693 7.949 -6.728 190 HH11 ARG 21 1HH1 ARG 21 3.895 11.194 -8.160 191 HH12 ARG 21 2HH1 ARG 21 5.071 10.753 -9.315 192 HH21 ARG 21 1HH2 ARG 21 5.373 7.369 -8.304 193 HH22 ARG 21 2HH2 ARG 21 5.925 8.559 -9.369 194 H ILE 22 H ILE 22 -1.070 8.494 -3.191 195 HA ILE 22 HA ILE 22 -2.673 6.531 -4.624 196 HB ILE 22 HB ILE 22 -3.671 9.026 -3.239 197 HG12 ILE 22 2HG1 ILE 22 -2.322 7.810 -1.598 198 HG13 ILE 22 1HG1 ILE 22 -4.030 7.705 -1.196 199 HG21 ILE 22 1HG2 ILE 22 -5.258 7.904 -4.678 200 HG22 ILE 22 2HG2 ILE 22 -5.741 7.724 -2.990 201 HG23 ILE 22 3HG2 ILE 22 -4.978 6.378 -3.838 202 HD11 ILE 22 3HD1 ILE 22 -2.920 5.602 -0.813 203 HD12 ILE 22 1HD1 ILE 22 -2.362 5.565 -2.488 204 HD13 ILE 22 2HD1 ILE 22 -4.086 5.457 -2.128 205 H LEU 23 H LEU 23 -2.730 6.883 -6.750 206 HA LEU 23 HA LEU 23 -2.445 9.541 -7.862 207 HB2 LEU 23 2HB LEU 23 -2.924 6.900 -9.224 208 HB3 LEU 23 1HB LEU 23 -2.350 8.382 -9.958 209 HG LEU 23 HG LEU 23 -0.816 6.737 -7.955 210 HD11 LEU 23 1HD1 LEU 23 0.592 6.127 -9.865 211 HD12 LEU 23 2HD1 LEU 23 -0.513 6.992 -10.941 212 HD13 LEU 23 3HD1 LEU 23 -1.073 5.574 -10.057 213 HD21 LEU 23 3HD2 LEU 23 -0.281 9.109 -7.875 214 HD22 LEU 23 1HD2 LEU 23 -0.024 9.115 -9.617 215 HD23 LEU 23 2HD2 LEU 23 1.056 8.186 -8.572 216 H LYS 24 H LYS 24 -4.274 10.680 -7.919 217 HA LYS 24 HA LYS 24 -6.723 9.180 -8.480 218 HB2 LYS 24 2HB LYS 24 -6.451 11.837 -7.057 219 HB3 LYS 24 1HB LYS 24 -7.962 10.993 -7.384 220 HG2 LYS 24 2HG LYS 24 -7.183 9.106 -5.999 221 HG3 LYS 24 1HG LYS 24 -5.712 9.997 -5.646 222 HD2 LYS 24 2HD LYS 24 -7.287 10.176 -3.806 223 HD3 LYS 24 1HD LYS 24 -7.038 11.749 -4.563 224 HE2 LYS 24 2HE LYS 24 -9.130 11.560 -5.745 225 HE3 LYS 24 1HE LYS 24 -9.360 9.915 -5.159 226 HZ1 LYS 24 3HZ LYS 24 -9.530 10.761 -2.931 227 HZ2 LYS 24 1HZ LYS 24 -10.660 11.514 -3.929 228 HZ3 LYS 24 2HZ LYS 24 -9.273 12.343 -3.469 229 H SER 25 H SER 25 -7.066 9.284 -10.463 230 HA SER 25 HA SER 25 -6.337 11.667 -11.989 231 HB2 SER 25 2HB SER 25 -5.266 9.531 -12.626 232 HB3 SER 25 1HB SER 25 -6.850 8.815 -12.886 233 HG SER 25 HG SER 25 -6.063 11.141 -14.346 234 H ARG 26 H ARG 26 -7.987 13.015 -12.327 235 HA ARG 26 HA ARG 26 -10.723 12.071 -12.347 236 HB2 ARG 26 2HB ARG 26 -9.633 14.826 -12.922 237 HB3 ARG 26 1HB ARG 26 -11.329 14.412 -12.774 238 HG2 ARG 26 2HG ARG 26 -10.895 13.744 -10.423 239 HG3 ARG 26 1HG ARG 26 -9.246 14.352 -10.609 240 HD2 ARG 26 2HD ARG 26 -11.795 15.915 -10.942 241 HD3 ARG 26 1HD ARG 26 -10.652 16.069 -9.611 242 HE ARG 26 HE ARG 26 -9.036 16.716 -11.465 243 HH11 ARG 26 1HH1 ARG 26 -12.487 17.506 -11.442 244 HH12 ARG 26 2HH1 ARG 26 -12.349 18.886 -12.409 245 HH21 ARG 26 1HH2 ARG 26 -8.804 18.678 -12.781 246 HH22 ARG 26 2HH2 ARG 26 -10.165 19.593 -13.173 247 H ASP 27 H ASP 27 -8.289 12.144 -14.509 248 HA ASP 27 HA ASP 27 -9.197 13.040 -16.934 249 HB2 ASP 27 2HB ASP 27 -7.545 10.582 -16.356 250 HB3 ASP 27 1HB ASP 27 -7.713 11.312 -17.948 251 H ASP 28 H ASP 28 -9.794 9.938 -15.431 252 HA ASP 28 HA ASP 28 -11.652 9.197 -17.545 253 HB2 ASP 28 2HB ASP 28 -10.281 7.459 -16.413 254 HB3 ASP 28 1HB ASP 28 -11.086 7.853 -14.899 255 H ASN 29 H ASN 29 -11.809 9.480 -14.048 256 HA ASN 29 HA ASN 29 -13.796 11.452 -14.005 257 HB2 ASN 29 2HB ASN 29 -15.402 9.710 -14.570 258 HB3 ASN 29 1HB ASN 29 -14.753 8.636 -13.339 259 HD21 ASN 29 1HD2 ASN 29 -15.537 8.782 -11.271 260 HD22 ASN 29 2HD2 ASN 29 -16.700 9.947 -10.773 261 H SER 30 H SER 30 -12.954 8.637 -12.025 262 HA SER 30 HA SER 30 -11.336 10.214 -10.321 263 HB2 SER 30 2HB SER 30 -13.950 9.119 -9.233 264 HB3 SER 30 1HB SER 30 -12.610 9.646 -8.213 265 HG SER 30 HG SER 30 -13.452 11.392 -10.174 266 H VAL 31 H VAL 31 -9.947 8.658 -11.266 267 HA VAL 31 HA VAL 31 -10.307 5.910 -10.365 268 HB VAL 31 HB VAL 31 -8.103 7.093 -12.089 269 HG11 VAL 31 1HG1 VAL 31 -7.604 4.771 -12.701 270 HG12 VAL 31 2HG1 VAL 31 -8.851 4.211 -11.589 271 HG13 VAL 31 3HG1 VAL 31 -7.425 5.037 -10.967 272 HG21 VAL 31 3HG2 VAL 31 -10.269 7.276 -13.167 273 HG22 VAL 31 1HG2 VAL 31 -10.551 5.554 -12.936 274 HG23 VAL 31 2HG2 VAL 31 -9.250 6.099 -14.000 275 H GLU 32 H GLU 32 -9.583 5.531 -8.370 276 HA GLU 32 HA GLU 32 -7.212 6.993 -7.485 277 HB2 GLU 32 2HB GLU 32 -8.967 5.137 -5.867 278 HB3 GLU 32 1HB GLU 32 -7.698 6.175 -5.245 279 HG2 GLU 32 2HG GLU 32 -9.046 8.135 -5.969 280 HG3 GLU 32 1HG GLU 32 -10.339 7.023 -6.399 281 H LYS 33 H LYS 33 -5.634 6.138 -8.427 282 HA LYS 33 HA LYS 33 -5.486 3.246 -8.509 283 HB2 LYS 33 2HB LYS 33 -5.105 5.133 -10.453 284 HB3 LYS 33 1HB LYS 33 -3.460 4.829 -9.911 285 HG2 LYS 33 2HG LYS 33 -5.401 2.742 -10.668 286 HG3 LYS 33 1HG LYS 33 -4.245 3.410 -11.831 287 HD2 LYS 33 2HD LYS 33 -2.390 2.639 -10.362 288 HD3 LYS 33 1HD LYS 33 -3.567 1.924 -9.264 289 HE2 LYS 33 2HE LYS 33 -3.227 1.172 -12.165 290 HE3 LYS 33 1HE LYS 33 -2.506 0.295 -10.820 291 HZ1 LYS 33 3HZ LYS 33 -5.440 0.694 -11.107 292 HZ2 LYS 33 1HZ LYS 33 -4.647 -0.371 -10.062 293 HZ3 LYS 33 2HZ LYS 33 -4.622 -0.645 -11.715 294 H TYR 34 H TYR 34 -4.293 2.356 -7.059 295 HA TYR 34 HA TYR 34 -2.524 3.951 -5.458 296 HB2 TYR 34 2HB TYR 34 -3.046 0.969 -5.416 297 HB3 TYR 34 1HB TYR 34 -2.214 1.888 -4.162 298 HD1 TYR 34 2HD TYR 34 -3.517 3.591 -2.846 299 HD2 TYR 34 1HD TYR 34 -5.436 0.837 -5.438 300 HE1 TYR 34 2HE TYR 34 -5.667 4.032 -1.717 301 HE2 TYR 34 1HE TYR 34 -7.580 1.259 -4.323 302 HH TYR 34 HH TYR 34 -8.115 3.837 -2.252 303 H VAL 35 H VAL 35 -0.339 3.950 -5.612 304 HA VAL 35 HA VAL 35 0.635 3.590 -8.212 305 HB VAL 35 HB VAL 35 1.328 5.331 -6.559 306 HG11 VAL 35 1HG1 VAL 35 2.953 3.143 -5.334 307 HG12 VAL 35 2HG1 VAL 35 1.634 4.057 -4.602 308 HG13 VAL 35 3HG1 VAL 35 3.150 4.864 -4.998 309 HG21 VAL 35 3HG2 VAL 35 3.604 3.825 -7.856 310 HG22 VAL 35 1HG2 VAL 35 3.689 5.484 -7.267 311 HG23 VAL 35 2HG2 VAL 35 2.616 5.077 -8.606 312 H LEU 36 H LEU 36 2.635 2.430 -8.824 313 HA LEU 36 HA LEU 36 2.319 -0.326 -8.271 314 HB2 LEU 36 2HB LEU 36 4.213 1.192 -10.048 315 HB3 LEU 36 1HB LEU 36 4.172 -0.544 -9.923 316 HG LEU 36 HG LEU 36 3.074 0.085 -11.936 317 HD11 LEU 36 1HD1 LEU 36 2.085 -1.778 -10.815 318 HD12 LEU 36 2HD1 LEU 36 0.864 -0.853 -11.684 319 HD13 LEU 36 3HD1 LEU 36 0.992 -0.710 -9.933 320 HD21 LEU 36 3HD2 LEU 36 1.270 1.879 -10.307 321 HD22 LEU 36 1HD2 LEU 36 1.097 1.546 -12.030 322 HD23 LEU 36 2HD2 LEU 36 2.517 2.409 -11.433 323 H THR 37 H THR 37 4.177 2.101 -6.815 324 HA THR 37 HA THR 37 6.292 0.237 -6.207 325 HB THR 37 HB THR 37 6.954 2.571 -6.803 326 HG1 THR 37 1HG THR 37 8.445 1.630 -5.664 327 HG21 THR 37 3HG2 THR 37 5.653 3.304 -4.170 328 HG22 THR 37 1HG2 THR 37 5.108 3.811 -5.767 329 HG23 THR 37 2HG2 THR 37 6.659 4.376 -5.147 330 H SER 38 H SER 38 6.870 -0.260 -4.087 331 HA SER 38 HA SER 38 4.709 0.003 -2.138 332 HB2 SER 38 2HB SER 38 6.220 -2.517 -2.816 333 HB3 SER 38 1HB SER 38 4.956 -2.362 -1.588 334 HG SER 38 HG SER 38 3.744 -1.435 -3.484 335 H HIS 39 H HIS 39 7.321 1.401 -2.370 336 HA HIS 39 HA HIS 39 9.198 0.338 -0.551 337 HB2 HIS 39 2HB HIS 39 8.776 3.162 -1.480 338 HB3 HIS 39 1HB HIS 39 9.939 2.802 -0.212 339 HD1 HIS 39 1HD HIS 39 12.044 1.450 -0.893 340 HD2 HIS 39 2HD HIS 39 9.550 2.459 -4.046 341 HE1 HIS 39 1HE HIS 39 13.378 1.010 -2.975 342 HE2 HIS 39 2HE HIS 39 11.938 1.893 -4.828 343 H VAL 40 H VAL 40 9.505 0.382 1.546 344 HA VAL 40 HA VAL 40 7.296 1.441 3.122 345 HB VAL 40 HB VAL 40 7.910 -0.294 4.842 346 HG11 VAL 40 1HG1 VAL 40 5.974 -0.529 3.451 347 HG12 VAL 40 2HG1 VAL 40 6.748 -2.101 3.666 348 HG13 VAL 40 3HG1 VAL 40 6.950 -1.217 2.154 349 HG21 VAL 40 3HG2 VAL 40 9.452 -1.475 2.534 350 HG22 VAL 40 1HG2 VAL 40 9.124 -2.271 4.072 351 HG23 VAL 40 2HG2 VAL 40 10.149 -0.834 4.023 352 H SER 41 H SER 41 7.650 2.133 5.147 353 HA SER 41 HA SER 41 10.357 3.020 5.746 354 HB2 SER 41 2HB SER 41 7.705 4.328 6.427 355 HB3 SER 41 1HB SER 41 9.305 4.963 6.820 356 HG SER 41 HG SER 41 9.154 4.337 4.243 357 H LYS 42 H LYS 42 11.086 2.225 7.619 358 HA LYS 42 HA LYS 42 9.341 0.440 9.119 359 HB2 LYS 42 2HB LYS 42 11.417 -0.258 10.256 360 HB3 LYS 42 1HB LYS 42 11.434 -0.557 8.513 361 HG2 LYS 42 2HG LYS 42 12.819 1.550 8.340 362 HG3 LYS 42 1HG LYS 42 12.884 1.557 10.105 363 HD2 LYS 42 2HD LYS 42 13.874 -0.627 8.276 364 HD3 LYS 42 1HD LYS 42 14.878 0.491 9.194 365 HE2 LYS 42 2HE LYS 42 14.028 -0.439 11.283 366 HE3 LYS 42 1HE LYS 42 12.971 -1.531 10.392 367 HZ1 LYS 42 3HZ LYS 42 14.945 -2.563 9.440 368 HZ2 LYS 42 1HZ LYS 42 14.922 -2.661 11.116 369 HZ3 LYS 42 2HZ LYS 42 15.935 -1.555 10.372 370 H ASN 43 H ASN 43 9.478 3.424 9.261 371 HA ASN 43 HA ASN 43 9.478 3.602 12.165 372 HB2 ASN 43 2HB ASN 43 10.272 5.769 10.180 373 HB3 ASN 43 1HB ASN 43 10.153 5.983 11.926 374 HD21 ASN 43 1HD2 ASN 43 11.716 5.027 13.258 375 HD22 ASN 43 2HD2 ASN 43 13.211 4.437 12.632 376 H ARG 44 H ARG 44 7.650 4.459 12.963 377 HA ARG 44 HA ARG 44 5.446 4.407 11.158 378 HB2 ARG 44 2HB ARG 44 5.500 4.885 14.145 379 HB3 ARG 44 1HB ARG 44 4.046 4.649 13.188 380 HG2 ARG 44 2HG ARG 44 4.974 2.396 12.520 381 HG3 ARG 44 1HG ARG 44 6.239 2.658 13.713 382 HD2 ARG 44 2HD ARG 44 3.279 2.623 14.306 383 HD3 ARG 44 1HD ARG 44 4.381 1.287 14.587 384 HE ARG 44 HE ARG 44 5.572 3.141 16.013 385 HH11 ARG 44 1HH1 ARG 44 2.107 2.386 15.845 386 HH12 ARG 44 2HH1 ARG 44 1.790 2.892 17.437 387 HH21 ARG 44 1HH2 ARG 44 5.126 3.826 18.174 388 HH22 ARG 44 2HH2 ARG 44 3.517 3.775 18.769 389 HA PRO 45 HA PRO 45 5.174 8.726 10.354 390 HB2 PRO 45 2HB PRO 45 2.266 8.461 10.118 391 HB3 PRO 45 1HB PRO 45 3.454 8.856 8.877 392 HG2 PRO 45 2HG PRO 45 2.150 6.491 8.958 393 HG3 PRO 45 1HG PRO 45 3.788 6.671 8.314 394 HD2 PRO 45 2HD PRO 45 2.897 5.569 10.941 395 HD3 PRO 45 1HD PRO 45 4.223 5.083 9.868 396 H LYS 46 H LYS 46 4.598 10.603 11.280 397 HA LYS 46 HA LYS 46 3.490 10.518 13.969 398 HB2 LYS 46 2HB LYS 46 5.571 11.779 13.569 399 HB3 LYS 46 1HB LYS 46 4.758 12.760 12.367 400 HG2 LYS 46 2HG LYS 46 3.287 13.652 14.134 401 HG3 LYS 46 1HG LYS 46 4.184 12.705 15.322 402 HD2 LYS 46 2HD LYS 46 6.236 13.887 14.732 403 HD3 LYS 46 1HD LYS 46 5.358 14.814 13.515 404 HE2 LYS 46 2HE LYS 46 3.945 15.768 15.287 405 HE3 LYS 46 1HE LYS 46 4.859 14.859 16.488 406 HZ1 LYS 46 3HZ LYS 46 5.618 17.179 16.259 407 HZ2 LYS 46 1HZ LYS 46 6.000 16.877 14.652 408 HZ3 LYS 46 2HZ LYS 46 6.842 16.070 15.851 409 H ASN 47 H ASN 47 3.145 12.601 11.140 410 HA ASN 47 HA ASN 47 0.246 12.680 11.542 411 HB2 ASN 47 2HB ASN 47 1.063 14.858 12.196 412 HB3 ASN 47 1HB ASN 47 2.119 14.949 10.800 413 HD21 ASN 47 1HD2 ASN 47 1.268 16.853 10.083 414 HD22 ASN 47 2HD2 ASN 47 -0.305 17.007 9.399 415 H ALA 48 H ALA 48 -0.340 11.293 10.008 416 HA ALA 48 HA ALA 48 -0.287 12.085 7.307 417 HB1 ALA 48 1HB ALA 48 1.949 11.054 7.386 418 HB2 ALA 48 2HB ALA 48 0.831 10.094 6.419 419 HB3 ALA 48 3HB ALA 48 1.243 9.582 8.059 420 H ILE 49 H ILE 49 -1.798 10.778 6.155 421 HA ILE 49 HA ILE 49 -3.668 9.528 7.947 422 HB ILE 49 HB ILE 49 -3.820 10.004 4.955 423 HG12 ILE 49 2HG1 ILE 49 -3.880 12.090 6.237 424 HG13 ILE 49 1HG1 ILE 49 -5.458 11.763 5.532 425 HG21 ILE 49 1HG2 ILE 49 -6.205 9.434 5.126 426 HG22 ILE 49 2HG2 ILE 49 -5.965 9.015 6.823 427 HG23 ILE 49 3HG2 ILE 49 -5.164 8.073 5.568 428 HD11 ILE 49 3HD1 ILE 49 -5.684 12.622 7.776 429 HD12 ILE 49 1HD1 ILE 49 -4.657 11.335 8.406 430 HD13 ILE 49 2HD1 ILE 49 -6.232 10.950 7.714 431 H VAL 50 H VAL 50 -3.676 7.486 8.380 432 HA VAL 50 HA VAL 50 -2.254 5.684 6.583 433 HB VAL 50 HB VAL 50 -2.032 4.103 8.480 434 HG11 VAL 50 1HG1 VAL 50 -1.008 6.876 9.046 435 HG12 VAL 50 2HG1 VAL 50 -0.219 5.623 8.082 436 HG13 VAL 50 3HG1 VAL 50 -0.418 5.406 9.818 437 HG21 VAL 50 3HG2 VAL 50 -3.224 6.300 10.183 438 HG22 VAL 50 1HG2 VAL 50 -2.553 4.782 10.771 439 HG23 VAL 50 2HG2 VAL 50 -4.020 4.775 9.787 440 H ILE 51 H ILE 51 -3.309 4.248 5.495 441 HA ILE 51 HA ILE 51 -6.166 3.843 6.097 442 HB ILE 51 HB ILE 51 -4.665 3.290 3.504 443 HG12 ILE 51 2HG1 ILE 51 -6.547 5.572 4.180 444 HG13 ILE 51 1HG1 ILE 51 -4.800 5.710 4.035 445 HG21 ILE 51 1HG2 ILE 51 -6.909 3.048 2.514 446 HG22 ILE 51 2HG2 ILE 51 -7.625 3.274 4.111 447 HG23 ILE 51 3HG2 ILE 51 -6.624 1.862 3.790 448 HD11 ILE 51 3HD1 ILE 51 -6.699 4.956 1.820 449 HD12 ILE 51 1HD1 ILE 51 -4.949 5.117 1.671 450 HD13 ILE 51 2HD1 ILE 51 -5.935 6.531 2.044 451 H LYS 52 H LYS 52 -6.867 1.810 6.588 452 HA LYS 52 HA LYS 52 -4.851 -0.112 7.301 453 HB2 LYS 52 2HB LYS 52 -6.828 0.372 8.715 454 HB3 LYS 52 1HB LYS 52 -7.873 -0.246 7.451 455 HG2 LYS 52 2HG LYS 52 -7.032 -2.457 7.758 456 HG3 LYS 52 1HG LYS 52 -5.798 -1.870 8.884 457 HD2 LYS 52 2HD LYS 52 -7.553 -1.154 10.427 458 HD3 LYS 52 1HD LYS 52 -8.774 -1.712 9.287 459 HE2 LYS 52 2HE LYS 52 -6.715 -3.474 10.634 460 HE3 LYS 52 1HE LYS 52 -8.390 -3.289 11.150 461 HZ1 LYS 52 3HZ LYS 52 -9.095 -4.172 9.019 462 HZ2 LYS 52 1HZ LYS 52 -8.128 -5.263 9.866 463 HZ3 LYS 52 2HZ LYS 52 -7.457 -4.439 8.579 464 H MET 53 H MET 53 -4.465 -2.125 6.372 465 HA MET 53 HA MET 53 -4.568 -2.322 3.588 466 HB2 MET 53 2HB MET 53 -4.170 -4.519 5.597 467 HB3 MET 53 1HB MET 53 -3.915 -4.721 3.873 468 HG2 MET 53 2HG MET 53 -2.198 -2.901 3.995 469 HG3 MET 53 1HG MET 53 -2.378 -2.939 5.747 470 HE1 MET 53 3HE MET 53 -2.748 -6.099 6.284 471 HE2 MET 53 1HE MET 53 -1.715 -5.047 7.259 472 HE3 MET 53 2HE MET 53 -1.072 -6.550 6.600 473 H ASP 54 H ASP 54 -6.773 -3.437 5.895 474 HA ASP 54 HA ASP 54 -8.309 -5.312 4.499 475 HB2 ASP 54 2HB ASP 54 -8.517 -4.781 6.903 476 HB3 ASP 54 1HB ASP 54 -9.305 -3.266 6.481 477 H ASN 55 H ASN 55 -8.237 -1.839 4.174 478 HA ASN 55 HA ASN 55 -10.725 -1.705 2.638 479 HB2 ASN 55 2HB ASN 55 -10.219 -0.006 4.383 480 HB3 ASN 55 1HB ASN 55 -8.774 0.455 3.500 481 HD21 ASN 55 1HD2 ASN 55 -8.990 1.787 1.705 482 HD22 ASN 55 2HD2 ASN 55 -10.464 2.573 1.283 483 H LEU 56 H LEU 56 -7.604 -2.493 2.006 484 HA LEU 56 HA LEU 56 -7.420 -0.991 -0.451 485 HB2 LEU 56 2HB LEU 56 -5.432 -2.635 1.076 486 HB3 LEU 56 1HB LEU 56 -5.155 -2.291 -0.615 487 HG LEU 56 HG LEU 56 -3.909 -0.755 0.805 488 HD11 LEU 56 1HD1 LEU 56 -6.163 0.644 -0.606 489 HD12 LEU 56 2HD1 LEU 56 -4.687 0.041 -1.350 490 HD13 LEU 56 3HD1 LEU 56 -4.608 1.345 -0.169 491 HD21 LEU 56 3HD2 LEU 56 -5.176 0.975 2.119 492 HD22 LEU 56 1HD2 LEU 56 -5.257 -0.661 2.787 493 HD23 LEU 56 2HD2 LEU 56 -6.606 -0.014 1.878 494 HA PRO 57 HA PRO 57 -8.906 -4.331 -2.945 495 HB2 PRO 57 2HB PRO 57 -7.151 -3.258 -5.061 496 HB3 PRO 57 1HB PRO 57 -8.909 -3.437 -5.053 497 HG2 PRO 57 2HG PRO 57 -7.754 -1.038 -4.882 498 HG3 PRO 57 1HG PRO 57 -9.242 -1.423 -3.999 499 HD2 PRO 57 2HD PRO 57 -6.432 -1.292 -3.004 500 HD3 PRO 57 1HD PRO 57 -7.938 -0.720 -2.256 501 H ILE 58 H ILE 58 -8.066 -6.141 -4.203 502 HA ILE 58 HA ILE 58 -5.864 -7.220 -2.874 503 HB ILE 58 HB ILE 58 -6.062 -9.194 -4.409 504 HG12 ILE 58 2HG1 ILE 58 -8.365 -9.336 -5.600 505 HG13 ILE 58 1HG1 ILE 58 -8.373 -7.584 -5.529 506 HG21 ILE 58 1HG2 ILE 58 -8.173 -9.954 -3.371 507 HG22 ILE 58 2HG2 ILE 58 -8.454 -8.293 -2.846 508 HG23 ILE 58 3HG2 ILE 58 -7.055 -9.177 -2.249 509 HD11 ILE 58 3HD1 ILE 58 -6.362 -9.303 -6.962 510 HD12 ILE 58 1HD1 ILE 58 -6.322 -7.541 -6.875 511 HD13 ILE 58 2HD1 ILE 58 -7.655 -8.355 -7.696 512 H GLU 59 H GLU 59 -6.021 -5.601 -6.008 513 HA GLU 59 HA GLU 59 -3.746 -6.225 -7.226 514 HB2 GLU 59 2HB GLU 59 -5.563 -4.559 -7.770 515 HB3 GLU 59 1HB GLU 59 -4.746 -3.448 -6.676 516 HG2 GLU 59 2HG GLU 59 -2.719 -4.203 -8.132 517 HG3 GLU 59 1HG GLU 59 -4.050 -4.472 -9.274 518 H VAL 60 H VAL 60 -4.305 -3.939 -4.622 519 HA VAL 60 HA VAL 60 -1.654 -2.911 -4.505 520 HB VAL 60 HB VAL 60 -3.787 -2.685 -2.394 521 HG11 VAL 60 1HG1 VAL 60 -1.452 -0.897 -3.082 522 HG12 VAL 60 2HG1 VAL 60 -1.573 -1.954 -1.677 523 HG13 VAL 60 3HG1 VAL 60 -2.659 -0.571 -1.837 524 HG21 VAL 60 3HG2 VAL 60 -3.352 -1.035 -4.867 525 HG22 VAL 60 1HG2 VAL 60 -4.427 -0.590 -3.542 526 HG23 VAL 60 2HG2 VAL 60 -4.748 -2.039 -4.490 527 H LYS 61 H LYS 61 -3.544 -4.974 -2.350 528 HA LYS 61 HA LYS 61 -1.475 -5.342 -0.519 529 HB2 LYS 61 2HB LYS 61 -3.901 -7.031 -1.069 530 HB3 LYS 61 1HB LYS 61 -2.782 -7.350 0.253 531 HG2 LYS 61 2HG LYS 61 -3.222 -5.089 1.135 532 HG3 LYS 61 1HG LYS 61 -4.393 -4.845 -0.157 533 HD2 LYS 61 2HD LYS 61 -4.566 -7.059 1.879 534 HD3 LYS 61 1HD LYS 61 -5.376 -5.500 2.049 535 HE2 LYS 61 2HE LYS 61 -6.555 -5.953 -0.084 536 HE3 LYS 61 1HE LYS 61 -5.809 -7.553 -0.113 537 HZ1 LYS 61 3HZ LYS 61 -6.931 -8.120 1.907 538 HZ2 LYS 61 1HZ LYS 61 -8.078 -7.536 0.844 539 HZ3 LYS 61 2HZ LYS 61 -7.527 -6.582 2.106 540 H ASP 62 H ASP 62 -2.286 -7.138 -3.412 541 HA ASP 62 HA ASP 62 -0.440 -9.209 -2.969 542 HB2 ASP 62 2HB ASP 62 -2.255 -9.373 -4.619 543 HB3 ASP 62 1HB ASP 62 -1.489 -8.123 -5.588 544 H LYS 63 H LYS 63 -0.141 -6.082 -4.652 545 HA LYS 63 HA LYS 63 2.541 -6.401 -5.487 546 HB2 LYS 63 2HB LYS 63 1.038 -3.856 -4.816 547 HB3 LYS 63 1HB LYS 63 2.618 -3.885 -5.579 548 HG2 LYS 63 2HG LYS 63 1.654 -5.082 -7.499 549 HG3 LYS 63 1HG LYS 63 0.076 -5.027 -6.721 550 HD2 LYS 63 2HD LYS 63 1.692 -2.613 -7.585 551 HD3 LYS 63 1HD LYS 63 0.299 -3.274 -8.435 552 HE2 LYS 63 2HE LYS 63 -1.074 -2.840 -6.410 553 HE3 LYS 63 1HE LYS 63 0.318 -2.048 -5.666 554 HZ1 LYS 63 3HZ LYS 63 0.243 -0.482 -7.661 555 HZ2 LYS 63 1HZ LYS 63 -1.075 -0.376 -6.618 556 HZ3 LYS 63 2HZ LYS 63 -1.262 -1.210 -8.021 557 H LEU 64 H LEU 64 1.136 -5.055 -2.544 558 HA LEU 64 HA LEU 64 3.475 -4.245 -1.226 559 HB2 LEU 64 2HB LEU 64 0.961 -5.396 -0.005 560 HB3 LEU 64 1HB LEU 64 2.173 -4.478 0.852 561 HG LEU 64 HG LEU 64 0.297 -3.442 -1.271 562 HD11 LEU 64 1HD1 LEU 64 -0.781 -3.835 0.864 563 HD12 LEU 64 2HD1 LEU 64 -0.630 -2.105 0.552 564 HD13 LEU 64 3HD1 LEU 64 0.463 -2.894 1.686 565 HD21 LEU 64 3HD2 LEU 64 1.223 -1.227 -0.769 566 HD22 LEU 64 1HD2 LEU 64 2.456 -2.304 -1.430 567 HD23 LEU 64 2HD2 LEU 64 2.405 -1.972 0.303 568 H THR 65 H THR 65 1.781 -7.293 -1.321 569 HA THR 65 HA THR 65 3.377 -8.705 0.481 570 HB THR 65 HB THR 65 1.808 -9.797 -1.870 571 HG1 THR 65 1HG THR 65 0.546 -8.585 -0.336 572 HG21 THR 65 3HG2 THR 65 3.437 -11.381 -0.947 573 HG22 THR 65 1HG2 THR 65 1.781 -11.873 -0.591 574 HG23 THR 65 2HG2 THR 65 2.761 -11.118 0.666 575 H ARG 66 H ARG 66 3.590 -8.449 -3.032 576 HA ARG 66 HA ARG 66 5.777 -10.238 -3.249 577 HB2 ARG 66 2HB ARG 66 4.851 -8.120 -5.181 578 HB3 ARG 66 1HB ARG 66 5.973 -9.418 -5.555 579 HG2 ARG 66 2HG ARG 66 4.223 -11.060 -5.106 580 HG3 ARG 66 1HG ARG 66 3.101 -9.754 -4.723 581 HD2 ARG 66 2HD ARG 66 3.347 -8.892 -7.003 582 HD3 ARG 66 1HD ARG 66 4.436 -10.220 -7.395 583 HE ARG 66 HE ARG 66 1.567 -10.369 -6.871 584 HH11 ARG 66 1HH1 ARG 66 4.551 -12.035 -7.841 585 HH12 ARG 66 2HH1 ARG 66 3.739 -13.394 -8.468 586 HH21 ARG 66 1HH2 ARG 66 0.479 -12.239 -7.723 587 HH22 ARG 66 2HH2 ARG 66 1.368 -13.511 -8.418 588 H PHE 67 H PHE 67 5.695 -6.917 -2.386 589 HA PHE 67 HA PHE 67 8.512 -6.604 -3.065 590 HB2 PHE 67 2HB PHE 67 6.896 -4.731 -3.424 591 HB3 PHE 67 1HB PHE 67 6.682 -4.635 -1.685 592 HD1 PHE 67 1HD PHE 67 8.508 -3.737 -0.261 593 HD2 PHE 67 2HD PHE 67 8.856 -3.880 -4.495 594 HE1 PHE 67 1HE PHE 67 10.369 -2.155 -0.152 595 HE2 PHE 67 2HE PHE 67 10.730 -2.292 -4.386 596 HZ PHE 67 HZ PHE 67 11.487 -1.428 -2.219 597 H PHE 68 H PHE 68 6.546 -6.282 -0.094 598 HA PHE 68 HA PHE 68 9.044 -6.777 1.368 599 HB2 PHE 68 2HB PHE 68 8.255 -5.243 3.128 600 HB3 PHE 68 1HB PHE 68 8.562 -4.444 1.596 601 HD1 PHE 68 2HD PHE 68 6.065 -5.442 4.051 602 HD2 PHE 68 1HD PHE 68 6.667 -3.541 0.289 603 HE1 PHE 68 2HE PHE 68 3.805 -4.519 4.149 604 HE2 PHE 68 1HE PHE 68 4.416 -2.617 0.399 605 HZ PHE 68 HZ PHE 68 2.978 -3.101 2.324 606 H LEU 69 H LEU 69 5.543 -7.354 1.458 607 HA LEU 69 HA LEU 69 5.720 -8.255 4.168 608 HB2 LEU 69 2HB LEU 69 3.729 -7.067 3.286 609 HB3 LEU 69 1HB LEU 69 3.362 -8.454 2.296 610 HG LEU 69 HG LEU 69 3.017 -9.809 4.331 611 HD11 LEU 69 1HD1 LEU 69 2.827 -8.670 6.494 612 HD12 LEU 69 2HD1 LEU 69 3.410 -7.179 5.755 613 HD13 LEU 69 3HD1 LEU 69 4.469 -8.585 5.857 614 HD21 LEU 69 3HD2 LEU 69 1.405 -7.263 4.180 615 HD22 LEU 69 1HD2 LEU 69 0.896 -8.760 4.963 616 HD23 LEU 69 2HD2 LEU 69 1.138 -8.715 3.215 617 H LEU 70 H LEU 70 5.124 -9.821 1.081 618 HA LEU 70 HA LEU 70 4.656 -11.990 0.667 619 HB2 LEU 70 2HB LEU 70 6.976 -13.165 0.598 620 HB3 LEU 70 1HB LEU 70 6.598 -11.808 -0.437 621 HG LEU 70 HG LEU 70 7.722 -10.389 1.399 622 HD11 LEU 70 1HD1 LEU 70 7.922 -12.053 3.110 623 HD12 LEU 70 2HD1 LEU 70 9.518 -11.493 2.606 624 HD13 LEU 70 3HD1 LEU 70 8.918 -13.060 2.059 625 HD21 LEU 70 3HD2 LEU 70 9.878 -10.675 0.312 626 HD22 LEU 70 1HD2 LEU 70 8.538 -10.673 -0.838 627 HD23 LEU 70 2HD2 LEU 70 9.309 -12.198 -0.389 628 H GLU 71 H GLU 71 3.318 -12.182 2.482 629 HA GLU 71 HA GLU 71 4.341 -13.861 4.545 630 HB2 GLU 71 2HB GLU 71 2.009 -12.163 4.299 631 HB3 GLU 71 1HB GLU 71 1.692 -13.694 5.113 632 HG2 GLU 71 2HG GLU 71 3.773 -11.657 5.843 633 HG3 GLU 71 1HG GLU 71 2.322 -12.091 6.763 634 H HIS 72 H HIS 72 3.152 -15.577 5.390 635 HA HIS 72 HA HIS 72 3.051 -17.673 3.442 636 HB2 HIS 72 2HB HIS 72 2.409 -17.718 6.414 637 HB3 HIS 72 1HB HIS 72 2.548 -19.139 5.395 638 HD1 HIS 72 1HD HIS 72 4.695 -20.285 5.946 639 HD2 HIS 72 2HD HIS 72 5.116 -16.150 6.029 640 HE1 HIS 72 1HE HIS 72 7.113 -19.862 6.427 641 HE2 HIS 72 2HE HIS 72 7.194 -17.397 6.876 642 H HIS 73 H HIS 73 0.815 -15.622 4.977 643 HA HIS 73 HA HIS 73 -1.568 -17.105 4.518 644 HB2 HIS 73 2HB HIS 73 -1.386 -15.159 6.104 645 HB3 HIS 73 1HB HIS 73 -1.244 -14.091 4.716 646 HD1 HIS 73 1HD HIS 73 -3.434 -13.276 3.666 647 HD2 HIS 73 2HD HIS 73 -3.984 -16.380 6.387 648 HE1 HIS 73 1HE HIS 73 -5.901 -13.479 3.970 649 HE2 HIS 73 2HE HIS 73 -6.159 -15.088 5.855 650 H HIS 74 H HIS 74 0.492 -15.214 2.506 651 HA HIS 74 HA HIS 74 -1.509 -14.956 0.410 652 HB2 HIS 74 2HB HIS 74 0.002 -13.077 0.736 653 HB3 HIS 74 1HB HIS 74 1.394 -14.120 0.508 654 HD1 HIS 74 1HD HIS 74 2.243 -14.389 -1.853 655 HD2 HIS 74 2HD HIS 74 -1.531 -12.653 -1.726 656 HE1 HIS 74 1HE HIS 74 1.782 -13.611 -4.174 657 HE2 HIS 74 2HE HIS 74 -0.303 -12.281 -3.988 658 H HIS 75 H HIS 75 1.684 -16.498 0.845 659 HA HIS 75 HA HIS 75 1.361 -17.939 -1.634 660 HB2 HIS 75 2HB HIS 75 3.607 -17.136 -0.824 661 HB3 HIS 75 1HB HIS 75 3.529 -18.328 0.464 662 HD1 HIS 75 1HD HIS 75 4.481 -20.582 -0.090 663 HD2 HIS 75 2HD HIS 75 3.642 -18.395 -3.514 664 HE1 HIS 75 1HE HIS 75 5.433 -21.903 -2.002 665 HE2 HIS 75 2HE HIS 75 4.457 -20.739 -4.010 666 H HIS 76 H HIS 76 -0.285 -18.337 0.934 667 HA HIS 76 HA HIS 76 -0.127 -21.088 1.616 668 HB2 HIS 76 2HB HIS 76 -1.299 -19.345 2.986 669 HB3 HIS 76 1HB HIS 76 -2.528 -19.234 1.734 670 HD1 HIS 76 1HD HIS 76 -4.568 -20.504 2.318 671 HD2 HIS 76 2HD HIS 76 -1.159 -22.243 3.928 672 HE1 HIS 76 1HE HIS 76 -5.382 -22.427 3.699 673 HE2 HIS 76 2HE HIS 76 -3.298 -23.585 4.477 674 H HIS 77 H HIS 77 -1.345 -19.360 -1.065 675 HA HIS 77 HA HIS 77 -2.077 -21.815 -2.330 676 HB2 HIS 77 2HB HIS 77 -4.217 -20.929 -3.256 677 HB3 HIS 77 1HB HIS 77 -4.277 -21.071 -1.513 678 HD1 HIS 77 1HD HIS 77 -5.535 -18.999 -3.959 679 HD2 HIS 77 2HD HIS 77 -3.460 -18.209 -0.454 680 HE1 HIS 77 1HE HIS 77 -6.066 -16.611 -3.383 681 HE2 HIS 77 2HE HIS 77 -4.736 -16.131 -1.299 Start of MODEL 9 1 H1 MET 1 1HT MET 1 7.247 15.263 -8.250 2 H2 MET 1 2HT MET 1 7.964 16.366 -7.188 3 H3 MET 1 3HT MET 1 7.440 16.861 -8.728 4 HA MET 1 HA MET 1 5.672 15.886 -6.588 5 HB2 MET 1 2HB MET 1 4.875 18.149 -6.375 6 HB3 MET 1 1HB MET 1 6.613 18.225 -6.213 7 HG2 MET 1 2HG MET 1 5.014 18.951 -8.669 8 HG3 MET 1 1HG MET 1 5.768 20.075 -7.542 9 HE1 MET 1 2HE MET 1 6.807 21.287 -9.689 10 HE2 MET 1 3HE MET 1 6.084 20.080 -10.750 11 HE3 MET 1 1HE MET 1 7.799 20.462 -10.893 12 H LEU 2 H LEU 2 3.413 16.198 -7.214 13 HA LEU 2 HA LEU 2 2.848 16.706 -9.975 14 HB2 LEU 2 2HB LEU 2 1.671 14.648 -10.409 15 HB3 LEU 2 1HB LEU 2 3.295 14.238 -9.922 16 HG LEU 2 HG LEU 2 0.890 14.045 -8.091 17 HD11 LEU 2 1HD1 LEU 2 0.666 12.564 -10.017 18 HD12 LEU 2 2HD1 LEU 2 0.939 11.664 -8.530 19 HD13 LEU 2 3HD1 LEU 2 2.259 11.885 -9.683 20 HD21 LEU 2 3HD2 LEU 2 3.655 12.837 -7.870 21 HD22 LEU 2 1HD2 LEU 2 2.334 12.633 -6.720 22 HD23 LEU 2 2HD2 LEU 2 3.080 14.218 -6.943 23 H LYS 3 H LYS 3 0.467 16.870 -10.225 24 HA LYS 3 HA LYS 3 -0.704 17.789 -7.676 25 HB2 LYS 3 2HB LYS 3 -1.488 18.426 -10.510 26 HB3 LYS 3 1HB LYS 3 -2.220 19.122 -9.076 27 HG2 LYS 3 2HG LYS 3 -0.039 20.190 -8.544 28 HG3 LYS 3 1HG LYS 3 0.604 19.558 -10.059 29 HD2 LYS 3 2HD LYS 3 -1.741 21.455 -9.782 30 HD3 LYS 3 1HD LYS 3 -0.123 21.892 -10.315 31 HE2 LYS 3 2HE LYS 3 -0.349 20.493 -12.290 32 HE3 LYS 3 1HE LYS 3 -1.902 19.898 -11.722 33 HZ1 LYS 3 3HZ LYS 3 -1.321 22.700 -12.505 34 HZ2 LYS 3 1HZ LYS 3 -2.807 22.119 -11.947 35 HZ3 LYS 3 2HZ LYS 3 -2.179 21.560 -13.400 36 H HIS 4 H HIS 4 -0.584 15.047 -8.844 37 HA HIS 4 HA HIS 4 -3.478 14.546 -9.176 38 HB2 HIS 4 2HB HIS 4 -2.219 14.498 -11.336 39 HB3 HIS 4 1HB HIS 4 -1.244 13.186 -10.712 40 HD1 HIS 4 1HD HIS 4 -2.024 10.934 -11.499 41 HD2 HIS 4 2HD HIS 4 -5.092 13.725 -11.404 42 HE1 HIS 4 1HE HIS 4 -4.036 9.742 -12.394 43 HE2 HIS 4 2HE HIS 4 -5.748 11.577 -12.666 44 H GLY 5 H GLY 5 -1.076 14.068 -7.026 45 HA2 GLY 5 2HA GLY 5 -2.150 11.573 -6.118 46 HA3 GLY 5 1HA GLY 5 -0.525 11.433 -6.759 47 H LYS 6 H LYS 6 -1.994 11.401 -4.051 48 HA LYS 6 HA LYS 6 -0.146 13.166 -2.580 49 HB2 LYS 6 2HB LYS 6 -2.640 11.745 -1.611 50 HB3 LYS 6 1HB LYS 6 -1.651 12.844 -0.670 51 HG2 LYS 6 2HG LYS 6 -3.257 13.579 -3.111 52 HG3 LYS 6 1HG LYS 6 -3.720 13.897 -1.441 53 HD2 LYS 6 2HD LYS 6 -1.722 15.318 -1.183 54 HD3 LYS 6 1HD LYS 6 -1.300 15.009 -2.870 55 HE2 LYS 6 2HE LYS 6 -3.825 16.347 -1.894 56 HE3 LYS 6 1HE LYS 6 -2.435 17.167 -2.604 57 HZ1 LYS 6 3HZ LYS 6 -4.268 16.794 -4.161 58 HZ2 LYS 6 1HZ LYS 6 -4.107 15.139 -3.996 59 HZ3 LYS 6 2HZ LYS 6 -2.861 16.057 -4.687 60 H TYR 7 H TYR 7 0.841 12.164 -0.639 61 HA TYR 7 HA TYR 7 1.238 9.289 -1.083 62 HB2 TYR 7 2HB TYR 7 3.161 11.352 -0.015 63 HB3 TYR 7 1HB TYR 7 3.445 9.620 0.106 64 HD1 TYR 7 2HD TYR 7 3.147 12.460 -2.205 65 HD2 TYR 7 1HD TYR 7 4.238 8.384 -1.788 66 HE1 TYR 7 2HE TYR 7 4.223 12.533 -4.418 67 HE2 TYR 7 1HE TYR 7 5.320 8.439 -3.995 68 HH TYR 7 HH TYR 7 6.039 11.284 -5.572 69 H VAL 8 H VAL 8 0.385 8.059 0.380 70 HA VAL 8 HA VAL 8 0.084 9.120 3.097 71 HB VAL 8 HB VAL 8 -1.981 7.893 3.380 72 HG11 VAL 8 1HG1 VAL 8 -2.095 9.481 0.834 73 HG12 VAL 8 2HG1 VAL 8 -2.258 10.104 2.474 74 HG13 VAL 8 3HG1 VAL 8 -3.485 9.024 1.816 75 HG21 VAL 8 3HG2 VAL 8 -1.625 6.910 0.547 76 HG22 VAL 8 1HG2 VAL 8 -3.066 6.653 1.535 77 HG23 VAL 8 2HG2 VAL 8 -1.525 5.941 2.015 78 H TYR 9 H TYR 9 -0.418 7.056 4.568 79 HA TYR 9 HA TYR 9 1.595 5.076 3.828 80 HB2 TYR 9 2HB TYR 9 1.089 6.302 6.549 81 HB3 TYR 9 1HB TYR 9 2.116 4.904 6.276 82 HD1 TYR 9 2HD TYR 9 1.732 8.513 5.472 83 HD2 TYR 9 1HD TYR 9 4.389 5.195 5.655 84 HE1 TYR 9 2HE TYR 9 3.622 10.023 5.095 85 HE2 TYR 9 1HE TYR 9 6.298 6.697 5.278 86 HH TYR 9 HH TYR 9 5.979 10.108 5.493 87 H ILE 10 H ILE 10 0.988 3.056 4.036 88 HA ILE 10 HA ILE 10 -1.766 2.606 4.852 89 HB ILE 10 HB ILE 10 0.187 0.714 3.533 90 HG12 ILE 10 2HG1 ILE 10 -0.394 2.426 1.986 91 HG13 ILE 10 1HG1 ILE 10 -1.303 0.989 1.535 92 HG21 ILE 10 1HG2 ILE 10 -1.379 -0.568 4.828 93 HG22 ILE 10 2HG2 ILE 10 -1.701 -0.775 3.107 94 HG23 ILE 10 3HG2 ILE 10 -2.733 0.275 4.078 95 HD11 ILE 10 3HD1 ILE 10 -3.260 1.979 2.770 96 HD12 ILE 10 1HD1 ILE 10 -2.754 2.881 1.329 97 HD13 ILE 10 2HD1 ILE 10 -2.309 3.447 2.932 98 H ASP 11 H ASP 11 -2.354 1.673 6.588 99 HA ASP 11 HA ASP 11 -0.465 1.259 8.663 100 HB2 ASP 11 2HB ASP 11 -2.610 2.250 9.231 101 HB3 ASP 11 1HB ASP 11 -3.464 0.830 8.650 102 H LEU 12 H LEU 12 0.778 -0.354 8.031 103 HA LEU 12 HA LEU 12 -0.137 -3.025 7.506 104 HB2 LEU 12 2HB LEU 12 2.543 -2.078 8.515 105 HB3 LEU 12 1HB LEU 12 2.201 -3.628 7.783 106 HG LEU 12 HG LEU 12 2.163 -0.955 6.388 107 HD11 LEU 12 1HD1 LEU 12 4.147 -1.830 5.226 108 HD12 LEU 12 2HD1 LEU 12 4.094 -3.271 6.243 109 HD13 LEU 12 3HD1 LEU 12 4.409 -1.700 6.963 110 HD21 LEU 12 3HD2 LEU 12 1.906 -2.296 4.335 111 HD22 LEU 12 1HD2 LEU 12 0.521 -2.462 5.415 112 HD23 LEU 12 2HD2 LEU 12 1.721 -3.744 5.323 113 H ASN 13 H ASN 13 0.935 -1.105 10.135 114 HA ASN 13 HA ASN 13 0.683 -1.099 12.366 115 HB2 ASN 13 2HB ASN 13 -1.640 -2.112 11.581 116 HB3 ASN 13 1HB ASN 13 -1.031 -3.549 12.397 117 HD21 ASN 13 1HD2 ASN 13 -2.082 -0.307 12.738 118 HD22 ASN 13 2HD2 ASN 13 -2.257 -0.285 14.456 119 H ASN 14 H ASN 14 2.395 -3.259 10.812 120 HA ASN 14 HA ASN 14 3.065 -4.866 13.147 121 HB2 ASN 14 2HB ASN 14 4.395 -6.337 11.634 122 HB3 ASN 14 1HB ASN 14 2.706 -6.225 11.176 123 HD21 ASN 14 1HD2 ASN 14 5.969 -5.670 10.217 124 HD22 ASN 14 2HD2 ASN 14 5.591 -5.163 8.612 125 H GLY 15 H GLY 15 3.827 -2.060 12.773 126 HA2 GLY 15 2HA GLY 15 5.602 -1.100 14.062 127 HA3 GLY 15 1HA GLY 15 6.640 -2.428 13.570 128 H LYS 16 H LYS 16 5.388 -1.861 10.786 129 HA LYS 16 HA LYS 16 6.806 0.580 10.180 130 HB2 LYS 16 2HB LYS 16 7.796 -0.465 8.134 131 HB3 LYS 16 1HB LYS 16 8.458 -1.075 9.636 132 HG2 LYS 16 2HG LYS 16 7.037 -3.080 9.409 133 HG3 LYS 16 1HG LYS 16 6.475 -2.469 7.849 134 HD2 LYS 16 2HD LYS 16 8.733 -2.494 6.979 135 HD3 LYS 16 1HD LYS 16 9.362 -2.984 8.552 136 HE2 LYS 16 2HE LYS 16 8.096 -5.084 8.380 137 HE3 LYS 16 1HE LYS 16 7.511 -4.588 6.789 138 HZ1 LYS 16 3HZ LYS 16 9.823 -4.565 6.018 139 HZ2 LYS 16 1HZ LYS 16 9.400 -6.079 6.603 140 HZ3 LYS 16 2HZ LYS 16 10.354 -5.078 7.526 141 H TYR 17 H TYR 17 6.230 1.367 8.000 142 HA TYR 17 HA TYR 17 3.480 0.627 7.302 143 HB2 TYR 17 2HB TYR 17 4.564 3.379 7.929 144 HB3 TYR 17 1HB TYR 17 3.155 3.158 6.900 145 HD1 TYR 17 2HD TYR 17 4.384 1.960 10.230 146 HD2 TYR 17 1HD TYR 17 1.111 3.367 7.929 147 HE1 TYR 17 2HE TYR 17 2.941 1.802 12.202 148 HE2 TYR 17 1HE TYR 17 -0.341 3.214 9.900 149 HH TYR 17 HH TYR 17 -0.390 1.928 11.948 150 H VAL 18 H VAL 18 2.924 1.139 5.137 151 HA VAL 18 HA VAL 18 5.285 1.473 3.460 152 HB VAL 18 HB VAL 18 4.208 -0.670 2.987 153 HG11 VAL 18 1HG1 VAL 18 1.926 -0.854 2.207 154 HG12 VAL 18 2HG1 VAL 18 1.734 0.887 2.400 155 HG13 VAL 18 3HG1 VAL 18 1.993 -0.138 3.827 156 HG21 VAL 18 3HG2 VAL 18 3.690 -0.432 0.608 157 HG22 VAL 18 1HG2 VAL 18 5.122 0.491 1.068 158 HG23 VAL 18 2HG2 VAL 18 3.584 1.315 0.819 159 H LYS 19 H LYS 19 5.402 3.062 2.015 160 HA LYS 19 HA LYS 19 3.400 5.164 2.280 161 HB2 LYS 19 2HB LYS 19 5.791 5.663 2.745 162 HB3 LYS 19 1HB LYS 19 6.178 5.207 1.095 163 HG2 LYS 19 2HG LYS 19 4.752 7.039 0.282 164 HG3 LYS 19 1HG LYS 19 4.449 7.519 1.953 165 HD2 LYS 19 2HD LYS 19 6.860 7.842 2.286 166 HD3 LYS 19 1HD LYS 19 7.140 7.397 0.600 167 HE2 LYS 19 2HE LYS 19 5.726 9.304 -0.086 168 HE3 LYS 19 1HE LYS 19 5.573 9.758 1.610 169 HZ1 LYS 19 3HZ LYS 19 8.015 10.002 1.676 170 HZ2 LYS 19 1HZ LYS 19 7.305 11.022 0.521 171 HZ3 LYS 19 2HZ LYS 19 8.064 9.604 0.053 172 H VAL 20 H VAL 20 1.992 5.360 0.703 173 HA VAL 20 HA VAL 20 2.726 4.389 -1.953 174 HB VAL 20 HB VAL 20 1.334 2.718 -0.829 175 HG11 VAL 20 1HG1 VAL 20 -1.023 3.168 -0.293 176 HG12 VAL 20 2HG1 VAL 20 -0.766 4.868 -0.680 177 HG13 VAL 20 3HG1 VAL 20 0.084 4.140 0.678 178 HG21 VAL 20 3HG2 VAL 20 -0.444 2.476 -2.543 179 HG22 VAL 20 1HG2 VAL 20 1.136 2.858 -3.230 180 HG23 VAL 20 2HG2 VAL 20 -0.096 4.114 -3.092 181 H ARG 21 H ARG 21 1.945 5.544 -3.629 182 HA ARG 21 HA ARG 21 0.875 8.157 -2.985 183 HB2 ARG 21 2HB ARG 21 2.820 8.089 -4.468 184 HB3 ARG 21 1HB ARG 21 1.946 7.069 -5.598 185 HG2 ARG 21 2HG ARG 21 0.392 8.861 -6.071 186 HG3 ARG 21 1HG ARG 21 1.154 9.879 -4.850 187 HD2 ARG 21 2HD ARG 21 1.922 10.522 -7.040 188 HD3 ARG 21 1HD ARG 21 3.246 9.805 -6.127 189 HE ARG 21 HE ARG 21 1.733 8.189 -8.049 190 HH11 ARG 21 1HH1 ARG 21 4.872 9.530 -6.958 191 HH12 ARG 21 2HH1 ARG 21 5.738 8.854 -8.240 192 HH21 ARG 21 1HH2 ARG 21 3.010 7.263 -9.831 193 HH22 ARG 21 2HH2 ARG 21 4.679 7.549 -9.886 194 H ILE 22 H ILE 22 -1.116 8.561 -3.161 195 HA ILE 22 HA ILE 22 -2.947 6.678 -4.437 196 HB ILE 22 HB ILE 22 -3.559 9.133 -2.769 197 HG12 ILE 22 2HG1 ILE 22 -2.298 7.550 -1.404 198 HG13 ILE 22 1HG1 ILE 22 -3.975 7.612 -0.882 199 HG21 ILE 22 1HG2 ILE 22 -5.291 6.805 -3.523 200 HG22 ILE 22 2HG2 ILE 22 -5.362 8.423 -4.218 201 HG23 ILE 22 3HG2 ILE 22 -5.770 8.176 -2.522 202 HD11 ILE 22 3HD1 ILE 22 -2.695 5.455 -2.548 203 HD12 ILE 22 1HD1 ILE 22 -4.395 5.522 -2.083 204 HD13 ILE 22 2HD1 ILE 22 -3.149 5.350 -0.846 205 H LEU 23 H LEU 23 -3.200 7.154 -6.558 206 HA LEU 23 HA LEU 23 -3.017 9.918 -7.414 207 HB2 LEU 23 2HB LEU 23 -3.609 7.396 -8.939 208 HB3 LEU 23 1HB LEU 23 -3.402 8.977 -9.664 209 HG LEU 23 HG LEU 23 -1.269 7.382 -8.233 210 HD11 LEU 23 1HD1 LEU 23 -1.866 6.406 -10.363 211 HD12 LEU 23 2HD1 LEU 23 -0.294 7.210 -10.484 212 HD13 LEU 23 3HD1 LEU 23 -1.734 7.983 -11.138 213 HD21 LEU 23 3HD2 LEU 23 0.257 9.100 -9.090 214 HD22 LEU 23 1HD2 LEU 23 -0.928 9.778 -7.975 215 HD23 LEU 23 2HD2 LEU 23 -1.123 10.006 -9.713 216 H LYS 24 H LYS 24 -4.743 11.088 -7.043 217 HA LYS 24 HA LYS 24 -7.354 9.853 -7.046 218 HB2 LYS 24 2HB LYS 24 -6.262 12.385 -6.102 219 HB3 LYS 24 1HB LYS 24 -7.765 12.602 -6.979 220 HG2 LYS 24 2HG LYS 24 -7.387 10.740 -4.639 221 HG3 LYS 24 1HG LYS 24 -8.091 12.354 -4.555 222 HD2 LYS 24 2HD LYS 24 -9.858 11.612 -6.162 223 HD3 LYS 24 1HD LYS 24 -9.186 9.985 -6.096 224 HE2 LYS 24 2HE LYS 24 -9.611 9.911 -3.694 225 HE3 LYS 24 1HE LYS 24 -10.289 11.532 -3.752 226 HZ1 LYS 24 3HZ LYS 24 -11.382 9.055 -4.975 227 HZ2 LYS 24 1HZ LYS 24 -12.034 10.602 -5.303 228 HZ3 LYS 24 2HZ LYS 24 -12.026 9.990 -3.742 229 H SER 25 H SER 25 -8.127 9.359 -8.903 230 HA SER 25 HA SER 25 -7.395 11.041 -11.126 231 HB2 SER 25 2HB SER 25 -8.592 8.276 -11.134 232 HB3 SER 25 1HB SER 25 -7.905 9.144 -12.512 233 HG SER 25 HG SER 25 -6.465 8.481 -10.157 234 H ARG 26 H ARG 26 -8.812 12.687 -10.665 235 HA ARG 26 HA ARG 26 -11.674 12.307 -10.611 236 HB2 ARG 26 2HB ARG 26 -9.948 14.781 -10.922 237 HB3 ARG 26 1HB ARG 26 -11.701 14.809 -10.818 238 HG2 ARG 26 2HG ARG 26 -9.892 13.731 -8.663 239 HG3 ARG 26 1HG ARG 26 -10.556 15.369 -8.692 240 HD2 ARG 26 2HD ARG 26 -12.138 12.797 -8.598 241 HD3 ARG 26 1HD ARG 26 -11.911 13.931 -7.271 242 HE ARG 26 HE ARG 26 -12.969 15.299 -9.463 243 HH11 ARG 26 1HH1 ARG 26 -14.013 13.002 -6.977 244 HH12 ARG 26 2HH1 ARG 26 -15.652 13.423 -7.118 245 HH21 ARG 26 1HH2 ARG 26 -15.203 15.818 -9.675 246 HH22 ARG 26 2HH2 ARG 26 -16.349 15.062 -8.688 247 H ASP 27 H ASP 27 -9.160 12.859 -12.810 248 HA ASP 27 HA ASP 27 -10.663 13.642 -15.073 249 HB2 ASP 27 2HB ASP 27 -8.577 13.156 -16.298 250 HB3 ASP 27 1HB ASP 27 -8.274 14.134 -14.869 251 H ASP 28 H ASP 28 -9.822 10.669 -13.584 252 HA ASP 28 HA ASP 28 -10.771 8.925 -15.704 253 HB2 ASP 28 2HB ASP 28 -9.112 8.157 -14.003 254 HB3 ASP 28 1HB ASP 28 -10.313 8.382 -12.745 255 H ASN 29 H ASN 29 -11.817 9.702 -12.435 256 HA ASN 29 HA ASN 29 -14.460 10.419 -13.053 257 HB2 ASN 29 2HB ASN 29 -14.670 7.914 -13.367 258 HB3 ASN 29 1HB ASN 29 -14.196 7.703 -11.689 259 HD21 ASN 29 1HD2 ASN 29 -15.723 8.161 -10.050 260 HD22 ASN 29 2HD2 ASN 29 -17.374 8.474 -10.410 261 H SER 30 H SER 30 -13.139 8.489 -10.401 262 HA SER 30 HA SER 30 -12.233 10.643 -8.837 263 HB2 SER 30 2HB SER 30 -14.748 10.948 -8.593 264 HB3 SER 30 1HB SER 30 -14.819 9.341 -7.878 265 HG SER 30 HG SER 30 -14.685 10.642 -6.201 266 H VAL 31 H VAL 31 -11.431 8.143 -9.896 267 HA VAL 31 HA VAL 31 -11.614 6.217 -7.716 268 HB VAL 31 HB VAL 31 -10.282 5.870 -10.407 269 HG11 VAL 31 1HG1 VAL 31 -11.231 3.828 -8.394 270 HG12 VAL 31 2HG1 VAL 31 -9.556 4.249 -8.743 271 HG13 VAL 31 3HG1 VAL 31 -10.543 3.464 -9.977 272 HG21 VAL 31 3HG2 VAL 31 -12.627 6.394 -10.756 273 HG22 VAL 31 1HG2 VAL 31 -13.096 5.142 -9.606 274 HG23 VAL 31 2HG2 VAL 31 -12.320 4.694 -11.124 275 H GLU 32 H GLU 32 -9.968 5.672 -6.461 276 HA GLU 32 HA GLU 32 -7.549 7.215 -6.629 277 HB2 GLU 32 2HB GLU 32 -8.376 5.076 -4.677 278 HB3 GLU 32 1HB GLU 32 -6.877 5.980 -4.590 279 HG2 GLU 32 2HG GLU 32 -8.147 7.112 -3.098 280 HG3 GLU 32 1HG GLU 32 -8.459 8.034 -4.551 281 H LYS 33 H LYS 33 -6.191 6.534 -8.146 282 HA LYS 33 HA LYS 33 -5.880 3.676 -8.614 283 HB2 LYS 33 2HB LYS 33 -4.575 6.038 -10.020 284 HB3 LYS 33 1HB LYS 33 -4.375 4.356 -10.478 285 HG2 LYS 33 2HG LYS 33 -6.942 5.941 -10.575 286 HG3 LYS 33 1HG LYS 33 -5.941 5.488 -11.951 287 HD2 LYS 33 2HD LYS 33 -6.392 3.120 -11.510 288 HD3 LYS 33 1HD LYS 33 -7.348 3.557 -10.097 289 HE2 LYS 33 2HE LYS 33 -8.828 3.085 -11.937 290 HE3 LYS 33 1HE LYS 33 -8.893 4.800 -11.557 291 HZ1 LYS 33 3HZ LYS 33 -7.613 3.492 -13.881 292 HZ2 LYS 33 1HZ LYS 33 -7.265 5.100 -13.473 293 HZ3 LYS 33 2HZ LYS 33 -8.815 4.659 -13.859 294 H TYR 34 H TYR 34 -4.047 2.572 -8.045 295 HA TYR 34 HA TYR 34 -2.486 4.062 -6.087 296 HB2 TYR 34 2HB TYR 34 -2.931 1.078 -6.262 297 HB3 TYR 34 1HB TYR 34 -2.093 1.936 -4.971 298 HD1 TYR 34 2HD TYR 34 -3.459 3.669 -3.632 299 HD2 TYR 34 1HD TYR 34 -5.250 0.740 -6.133 300 HE1 TYR 34 2HE TYR 34 -5.608 3.974 -2.456 301 HE2 TYR 34 1HE TYR 34 -7.389 1.045 -4.973 302 HH TYR 34 HH TYR 34 -8.047 3.621 -2.939 303 H VAL 35 H VAL 35 -0.359 4.104 -6.132 304 HA VAL 35 HA VAL 35 0.984 3.716 -8.590 305 HB VAL 35 HB VAL 35 1.571 5.429 -6.843 306 HG11 VAL 35 1HG1 VAL 35 3.067 4.795 -5.007 307 HG12 VAL 35 2HG1 VAL 35 2.722 3.098 -5.375 308 HG13 VAL 35 3HG1 VAL 35 1.422 4.178 -4.875 309 HG21 VAL 35 3HG2 VAL 35 3.876 3.688 -7.728 310 HG22 VAL 35 1HG2 VAL 35 4.026 5.329 -7.103 311 HG23 VAL 35 2HG2 VAL 35 3.181 5.044 -8.618 312 H LEU 36 H LEU 36 2.833 2.357 -8.989 313 HA LEU 36 HA LEU 36 2.438 -0.366 -8.259 314 HB2 LEU 36 2HB LEU 36 3.125 0.438 -10.514 315 HB3 LEU 36 1HB LEU 36 4.668 0.915 -9.843 316 HG LEU 36 HG LEU 36 5.158 -1.450 -9.327 317 HD11 LEU 36 1HD1 LEU 36 2.562 -1.990 -10.765 318 HD12 LEU 36 2HD1 LEU 36 2.895 -2.287 -9.057 319 HD13 LEU 36 3HD1 LEU 36 3.751 -3.202 -10.292 320 HD21 LEU 36 3HD2 LEU 36 5.516 -2.167 -11.638 321 HD22 LEU 36 1HD2 LEU 36 5.924 -0.464 -11.424 322 HD23 LEU 36 2HD2 LEU 36 4.405 -0.920 -12.199 323 H THR 37 H THR 37 3.841 2.042 -6.562 324 HA THR 37 HA THR 37 6.296 0.752 -5.797 325 HB THR 37 HB THR 37 4.860 3.318 -5.273 326 HG1 THR 37 1HG THR 37 6.528 2.462 -7.105 327 HG21 THR 37 3HG2 THR 37 7.535 2.503 -4.150 328 HG22 THR 37 1HG2 THR 37 6.033 2.810 -3.263 329 HG23 THR 37 2HG2 THR 37 6.833 4.138 -4.114 330 H SER 38 H SER 38 6.648 -0.047 -3.744 331 HA SER 38 HA SER 38 4.490 -0.159 -1.789 332 HB2 SER 38 2HB SER 38 6.338 -2.406 -2.615 333 HB3 SER 38 1HB SER 38 5.079 -2.499 -1.380 334 HG SER 38 HG SER 38 3.896 -1.559 -3.471 335 H HIS 39 H HIS 39 6.867 1.566 -2.063 336 HA HIS 39 HA HIS 39 9.025 0.735 -0.464 337 HB2 HIS 39 2HB HIS 39 8.082 3.508 -1.153 338 HB3 HIS 39 1HB HIS 39 9.493 3.228 -0.143 339 HD1 HIS 39 1HD HIS 39 9.282 4.491 -3.159 340 HD2 HIS 39 2HD HIS 39 10.788 0.791 -2.020 341 HE1 HIS 39 1HE HIS 39 10.881 3.833 -4.952 342 HE2 HIS 39 2HE HIS 39 11.543 1.483 -4.367 343 H VAL 40 H VAL 40 9.327 0.492 1.565 344 HA VAL 40 HA VAL 40 7.209 1.274 3.377 345 HB VAL 40 HB VAL 40 8.366 -0.321 5.018 346 HG11 VAL 40 1HG1 VAL 40 7.345 -2.288 3.957 347 HG12 VAL 40 2HG1 VAL 40 7.218 -1.394 2.442 348 HG13 VAL 40 3HG1 VAL 40 6.302 -0.871 3.852 349 HG21 VAL 40 3HG2 VAL 40 9.792 -2.038 4.048 350 HG22 VAL 40 1HG2 VAL 40 10.532 -0.454 3.819 351 HG23 VAL 40 2HG2 VAL 40 9.708 -1.263 2.473 352 H SER 41 H SER 41 7.625 2.063 5.464 353 HA SER 41 HA SER 41 10.172 3.420 5.852 354 HB2 SER 41 2HB SER 41 8.507 5.017 4.855 355 HB3 SER 41 1HB SER 41 7.421 4.674 6.196 356 HG SER 41 HG SER 41 9.398 6.416 6.036 357 H LYS 42 H LYS 42 10.553 3.813 8.106 358 HA LYS 42 HA LYS 42 9.279 1.869 9.882 359 HB2 LYS 42 2HB LYS 42 11.551 3.779 10.449 360 HB3 LYS 42 1HB LYS 42 11.078 2.396 11.418 361 HG2 LYS 42 2HG LYS 42 11.734 0.905 9.589 362 HG3 LYS 42 1HG LYS 42 12.210 2.309 8.639 363 HD2 LYS 42 2HD LYS 42 13.828 2.930 10.393 364 HD3 LYS 42 1HD LYS 42 13.393 1.470 11.281 365 HE2 LYS 42 2HE LYS 42 14.578 1.562 8.510 366 HE3 LYS 42 1HE LYS 42 15.452 1.179 9.985 367 HZ1 LYS 42 3HZ LYS 42 13.174 -0.407 8.920 368 HZ2 LYS 42 1HZ LYS 42 14.106 -0.772 10.270 369 HZ3 LYS 42 2HZ LYS 42 14.803 -0.791 8.739 370 H ASN 43 H ASN 43 8.568 4.806 8.903 371 HA ASN 43 HA ASN 43 8.141 6.116 11.445 372 HB2 ASN 43 2HB ASN 43 7.675 7.004 8.605 373 HB3 ASN 43 1HB ASN 43 7.233 7.971 10.006 374 HD21 ASN 43 1HD2 ASN 43 9.842 6.716 8.106 375 HD22 ASN 43 2HD2 ASN 43 11.091 7.678 8.805 376 H ARG 44 H ARG 44 6.322 6.068 12.511 377 HA ARG 44 HA ARG 44 3.900 5.169 11.120 378 HB2 ARG 44 2HB ARG 44 4.242 5.504 14.104 379 HB3 ARG 44 1HB ARG 44 3.002 4.591 13.268 380 HG2 ARG 44 2HG ARG 44 4.891 3.050 12.509 381 HG3 ARG 44 1HG ARG 44 5.879 3.870 13.722 382 HD2 ARG 44 2HD ARG 44 3.354 2.286 14.155 383 HD3 ARG 44 1HD ARG 44 4.969 1.912 14.747 384 HE ARG 44 HE ARG 44 4.733 3.980 16.127 385 HH11 ARG 44 1HH1 ARG 44 1.901 2.081 15.135 386 HH12 ARG 44 2HH1 ARG 44 0.892 2.691 16.354 387 HH21 ARG 44 1HH2 ARG 44 3.329 4.799 17.803 388 HH22 ARG 44 2HH2 ARG 44 1.716 4.251 17.915 389 HA PRO 45 HA PRO 45 3.539 9.651 11.521 390 HB2 PRO 45 2HB PRO 45 2.120 10.127 9.343 391 HB3 PRO 45 1HB PRO 45 3.828 9.684 9.245 392 HG2 PRO 45 2HG PRO 45 1.408 8.010 8.743 393 HG3 PRO 45 1HG PRO 45 2.964 8.010 7.899 394 HD2 PRO 45 2HD PRO 45 2.196 6.204 9.880 395 HD3 PRO 45 1HD PRO 45 3.863 6.510 9.357 396 H LYS 46 H LYS 46 2.140 10.857 12.534 397 HA LYS 46 HA LYS 46 -0.567 9.819 12.976 398 HB2 LYS 46 2HB LYS 46 0.982 11.940 14.463 399 HB3 LYS 46 1HB LYS 46 -0.625 11.368 14.890 400 HG2 LYS 46 2HG LYS 46 0.252 9.151 15.310 401 HG3 LYS 46 1HG LYS 46 1.860 9.678 14.817 402 HD2 LYS 46 2HD LYS 46 1.869 11.297 16.661 403 HD3 LYS 46 1HD LYS 46 0.281 10.716 17.167 404 HE2 LYS 46 2HE LYS 46 1.199 8.503 17.554 405 HE3 LYS 46 1HE LYS 46 2.775 9.037 16.980 406 HZ1 LYS 46 3HZ LYS 46 2.871 10.585 18.836 407 HZ2 LYS 46 1HZ LYS 46 2.685 9.005 19.363 408 HZ3 LYS 46 2HZ LYS 46 1.376 10.041 19.403 409 H ASN 47 H ASN 47 1.178 12.360 11.478 410 HA ASN 47 HA ASN 47 -1.187 14.056 11.272 411 HB2 ASN 47 2HB ASN 47 1.612 14.549 10.248 412 HB3 ASN 47 1HB ASN 47 0.295 15.710 10.229 413 HD21 ASN 47 1HD2 ASN 47 -0.654 14.925 12.919 414 HD22 ASN 47 2HD2 ASN 47 0.499 15.555 14.023 415 H ALA 48 H ALA 48 0.648 11.831 9.442 416 HA ALA 48 HA ALA 48 -0.555 12.644 6.941 417 HB1 ALA 48 1HB ALA 48 1.770 11.826 6.938 418 HB2 ALA 48 2HB ALA 48 0.718 10.819 5.944 419 HB3 ALA 48 3HB ALA 48 1.211 10.262 7.539 420 H ILE 49 H ILE 49 -1.660 10.946 5.660 421 HA ILE 49 HA ILE 49 -3.769 9.888 7.335 422 HB ILE 49 HB ILE 49 -3.482 9.866 4.318 423 HG12 ILE 49 2HG1 ILE 49 -3.673 12.146 5.175 424 HG13 ILE 49 1HG1 ILE 49 -5.145 11.687 4.332 425 HG21 ILE 49 1HG2 ILE 49 -5.887 9.337 4.261 426 HG22 ILE 49 2HG2 ILE 49 -5.890 9.210 6.016 427 HG23 ILE 49 3HG2 ILE 49 -4.945 8.073 5.055 428 HD11 ILE 49 3HD1 ILE 49 -5.653 12.931 6.335 429 HD12 ILE 49 1HD1 ILE 49 -4.752 11.780 7.322 430 HD13 ILE 49 2HD1 ILE 49 -6.230 11.273 6.500 431 H VAL 50 H VAL 50 -3.857 7.871 8.000 432 HA VAL 50 HA VAL 50 -2.290 5.923 6.517 433 HB VAL 50 HB VAL 50 -2.172 4.512 8.528 434 HG11 VAL 50 1HG1 VAL 50 -0.631 5.874 9.864 435 HG12 VAL 50 2HG1 VAL 50 -1.177 7.311 8.997 436 HG13 VAL 50 3HG1 VAL 50 -0.346 6.022 8.130 437 HG21 VAL 50 3HG2 VAL 50 -2.827 5.325 10.717 438 HG22 VAL 50 1HG2 VAL 50 -4.223 5.210 9.649 439 HG23 VAL 50 2HG2 VAL 50 -3.509 6.793 9.998 440 H ILE 51 H ILE 51 -3.240 4.240 5.693 441 HA ILE 51 HA ILE 51 -6.116 3.811 6.251 442 HB ILE 51 HB ILE 51 -4.697 3.463 3.574 443 HG12 ILE 51 2HG1 ILE 51 -6.674 5.611 4.401 444 HG13 ILE 51 1HG1 ILE 51 -4.949 5.848 4.178 445 HG21 ILE 51 1HG2 ILE 51 -7.623 3.242 4.295 446 HG22 ILE 51 2HG2 ILE 51 -6.543 1.909 3.889 447 HG23 ILE 51 3HG2 ILE 51 -6.956 3.112 2.666 448 HD11 ILE 51 3HD1 ILE 51 -5.177 5.309 1.806 449 HD12 ILE 51 1HD1 ILE 51 -6.216 6.658 2.264 450 HD13 ILE 51 2HD1 ILE 51 -6.904 5.050 2.028 451 H LYS 52 H LYS 52 -6.559 1.650 6.765 452 HA LYS 52 HA LYS 52 -4.269 -0.054 7.057 453 HB2 LYS 52 2HB LYS 52 -6.097 0.015 8.744 454 HB3 LYS 52 1HB LYS 52 -7.194 -0.666 7.556 455 HG2 LYS 52 2HG LYS 52 -5.840 -2.717 7.472 456 HG3 LYS 52 1HG LYS 52 -4.737 -2.021 8.656 457 HD2 LYS 52 2HD LYS 52 -7.680 -2.482 9.160 458 HD3 LYS 52 1HD LYS 52 -6.421 -3.633 9.597 459 HE2 LYS 52 2HE LYS 52 -6.584 -0.784 10.609 460 HE3 LYS 52 1HE LYS 52 -7.176 -2.192 11.483 461 HZ1 LYS 52 3HZ LYS 52 -4.820 -3.055 11.375 462 HZ2 LYS 52 1HZ LYS 52 -5.051 -1.678 12.311 463 HZ3 LYS 52 2HZ LYS 52 -4.341 -1.504 10.844 464 H MET 53 H MET 53 -3.949 -2.053 6.130 465 HA MET 53 HA MET 53 -3.925 -2.237 3.381 466 HB2 MET 53 2HB MET 53 -3.954 -4.521 5.335 467 HB3 MET 53 1HB MET 53 -3.469 -4.648 3.656 468 HG2 MET 53 2HG MET 53 -1.614 -3.118 4.076 469 HG3 MET 53 1HG MET 53 -2.105 -2.990 5.766 470 HE1 MET 53 3HE MET 53 -2.962 -6.030 6.439 471 HE2 MET 53 1HE MET 53 -1.992 -5.005 7.500 472 HE3 MET 53 2HE MET 53 -1.438 -6.626 7.088 473 H ASP 54 H ASP 54 -6.434 -3.225 5.513 474 HA ASP 54 HA ASP 54 -7.796 -5.074 3.907 475 HB2 ASP 54 2HB ASP 54 -8.095 -4.898 6.324 476 HB3 ASP 54 1HB ASP 54 -8.849 -3.324 6.121 477 H ASN 55 H ASN 55 -7.745 -1.627 3.777 478 HA ASN 55 HA ASN 55 -10.256 -1.447 2.310 479 HB2 ASN 55 2HB ASN 55 -9.678 0.308 3.956 480 HB3 ASN 55 1HB ASN 55 -8.229 0.688 3.044 481 HD21 ASN 55 1HD2 ASN 55 -8.403 1.991 1.221 482 HD22 ASN 55 2HD2 ASN 55 -9.852 2.809 0.785 483 H LEU 56 H LEU 56 -7.074 -2.140 1.596 484 HA LEU 56 HA LEU 56 -7.070 -0.816 -0.971 485 HB2 LEU 56 2HB LEU 56 -4.985 -2.446 0.480 486 HB3 LEU 56 1HB LEU 56 -4.792 -1.975 -1.192 487 HG LEU 56 HG LEU 56 -3.511 -0.508 0.231 488 HD11 LEU 56 1HD1 LEU 56 -4.457 0.464 -1.759 489 HD12 LEU 56 2HD1 LEU 56 -4.349 1.648 -0.459 490 HD13 LEU 56 3HD1 LEU 56 -5.905 0.930 -0.864 491 HD21 LEU 56 3HD2 LEU 56 -6.118 0.092 1.616 492 HD22 LEU 56 1HD2 LEU 56 -4.638 1.028 1.821 493 HD23 LEU 56 2HD2 LEU 56 -4.687 -0.663 2.319 494 HA PRO 57 HA PRO 57 -8.777 -4.261 -3.202 495 HB2 PRO 57 2HB PRO 57 -6.879 -3.371 -5.327 496 HB3 PRO 57 1HB PRO 57 -8.619 -3.659 -5.427 497 HG2 PRO 57 2HG PRO 57 -7.696 -1.191 -5.377 498 HG3 PRO 57 1HG PRO 57 -9.150 -1.620 -4.457 499 HD2 PRO 57 2HD PRO 57 -6.352 -1.194 -3.492 500 HD3 PRO 57 1HD PRO 57 -7.887 -0.701 -2.755 501 H ILE 58 H ILE 58 -8.134 -6.295 -4.086 502 HA ILE 58 HA ILE 58 -5.968 -7.396 -2.751 503 HB ILE 58 HB ILE 58 -6.379 -9.510 -4.037 504 HG12 ILE 58 2HG1 ILE 58 -8.667 -9.566 -5.251 505 HG13 ILE 58 1HG1 ILE 58 -8.505 -7.825 -5.394 506 HG21 ILE 58 1HG2 ILE 58 -8.715 -8.220 -2.672 507 HG22 ILE 58 2HG2 ILE 58 -7.412 -9.140 -1.923 508 HG23 ILE 58 3HG2 ILE 58 -8.558 -9.944 -2.998 509 HD11 ILE 58 3HD1 ILE 58 -6.665 -9.901 -6.569 510 HD12 ILE 58 1HD1 ILE 58 -6.441 -8.155 -6.690 511 HD13 ILE 58 2HD1 ILE 58 -7.846 -8.921 -7.437 512 H GLU 59 H GLU 59 -6.090 -6.138 -5.961 513 HA GLU 59 HA GLU 59 -3.692 -7.190 -6.978 514 HB2 GLU 59 2HB GLU 59 -4.990 -4.514 -7.501 515 HB3 GLU 59 1HB GLU 59 -3.688 -5.195 -8.455 516 HG2 GLU 59 2HG GLU 59 -5.089 -6.980 -9.201 517 HG3 GLU 59 1HG GLU 59 -6.387 -6.478 -8.119 518 H VAL 60 H VAL 60 -4.358 -4.453 -4.896 519 HA VAL 60 HA VAL 60 -1.713 -3.357 -5.039 520 HB VAL 60 HB VAL 60 -3.883 -2.810 -2.998 521 HG11 VAL 60 1HG1 VAL 60 -1.689 -2.036 -2.266 522 HG12 VAL 60 2HG1 VAL 60 -2.731 -0.665 -2.653 523 HG13 VAL 60 3HG1 VAL 60 -1.474 -1.164 -3.784 524 HG21 VAL 60 3HG2 VAL 60 -4.714 -2.383 -5.234 525 HG22 VAL 60 1HG2 VAL 60 -3.299 -1.392 -5.595 526 HG23 VAL 60 2HG2 VAL 60 -4.461 -0.865 -4.377 527 H LYS 61 H LYS 61 -3.593 -5.203 -2.718 528 HA LYS 61 HA LYS 61 -1.619 -5.415 -0.720 529 HB2 LYS 61 2HB LYS 61 -3.860 -7.327 -1.354 530 HB3 LYS 61 1HB LYS 61 -2.936 -7.312 0.145 531 HG2 LYS 61 2HG LYS 61 -3.681 -4.968 0.452 532 HG3 LYS 61 1HG LYS 61 -4.782 -5.192 -0.896 533 HD2 LYS 61 2HD LYS 61 -4.796 -6.842 1.641 534 HD3 LYS 61 1HD LYS 61 -5.916 -5.538 1.274 535 HE2 LYS 61 2HE LYS 61 -6.754 -6.787 -0.659 536 HE3 LYS 61 1HE LYS 61 -5.606 -8.081 -0.321 537 HZ1 LYS 61 3HZ LYS 61 -7.788 -7.220 1.504 538 HZ2 LYS 61 1HZ LYS 61 -6.711 -8.484 1.777 539 HZ3 LYS 61 2HZ LYS 61 -7.836 -8.575 0.533 540 H ASP 62 H ASP 62 -2.320 -7.276 -3.515 541 HA ASP 62 HA ASP 62 -0.565 -9.435 -3.197 542 HB2 ASP 62 2HB ASP 62 -2.046 -9.643 -4.994 543 HB3 ASP 62 1HB ASP 62 -1.691 -8.033 -5.595 544 H LYS 63 H LYS 63 -0.002 -6.328 -4.815 545 HA LYS 63 HA LYS 63 2.710 -6.823 -5.336 546 HB2 LYS 63 2HB LYS 63 1.224 -4.207 -5.125 547 HB3 LYS 63 1HB LYS 63 2.828 -4.404 -5.817 548 HG2 LYS 63 2HG LYS 63 0.323 -5.720 -6.824 549 HG3 LYS 63 1HG LYS 63 1.072 -4.300 -7.541 550 HD2 LYS 63 2HD LYS 63 3.122 -5.656 -7.954 551 HD3 LYS 63 1HD LYS 63 2.305 -7.054 -7.269 552 HE2 LYS 63 2HE LYS 63 1.480 -5.557 -9.750 553 HE3 LYS 63 1HE LYS 63 2.275 -7.126 -9.692 554 HZ1 LYS 63 3HZ LYS 63 -0.009 -7.530 -10.017 555 HZ2 LYS 63 1HZ LYS 63 -0.460 -6.452 -8.790 556 HZ3 LYS 63 2HZ LYS 63 0.286 -7.901 -8.388 557 H LEU 64 H LEU 64 1.101 -5.312 -2.611 558 HA LEU 64 HA LEU 64 3.399 -4.448 -1.219 559 HB2 LEU 64 2HB LEU 64 0.812 -5.491 -0.042 560 HB3 LEU 64 1HB LEU 64 2.011 -4.547 0.811 561 HG LEU 64 HG LEU 64 0.252 -3.591 -1.448 562 HD11 LEU 64 1HD1 LEU 64 -0.939 -3.868 0.647 563 HD12 LEU 64 2HD1 LEU 64 -0.754 -2.159 0.254 564 HD13 LEU 64 3HD1 LEU 64 0.273 -2.901 1.481 565 HD21 LEU 64 3HD2 LEU 64 1.193 -1.371 -1.012 566 HD22 LEU 64 1HD2 LEU 64 2.441 -2.497 -1.544 567 HD23 LEU 64 2HD2 LEU 64 2.301 -2.071 0.165 568 H THR 65 H THR 65 1.692 -7.519 -1.264 569 HA THR 65 HA THR 65 3.255 -8.872 0.649 570 HB THR 65 HB THR 65 1.731 -10.057 -1.693 571 HG1 THR 65 1HG THR 65 0.372 -8.774 -0.384 572 HG21 THR 65 3HG2 THR 65 3.260 -11.641 -0.607 573 HG22 THR 65 1HG2 THR 65 1.583 -12.069 -0.263 574 HG23 THR 65 2HG2 THR 65 2.557 -11.262 0.964 575 H ARG 66 H ARG 66 3.496 -8.649 -2.867 576 HA ARG 66 HA ARG 66 5.631 -10.441 -3.159 577 HB2 ARG 66 2HB ARG 66 4.994 -8.073 -4.907 578 HB3 ARG 66 1HB ARG 66 6.048 -9.405 -5.333 579 HG2 ARG 66 2HG ARG 66 4.117 -10.931 -5.214 580 HG3 ARG 66 1HG ARG 66 3.079 -9.543 -4.860 581 HD2 ARG 66 2HD ARG 66 3.912 -8.502 -6.979 582 HD3 ARG 66 1HD ARG 66 4.704 -10.034 -7.334 583 HE ARG 66 HE ARG 66 1.874 -10.227 -6.795 584 HH11 ARG 66 1HH1 ARG 66 4.329 -9.772 -9.304 585 HH12 ARG 66 2HH1 ARG 66 3.302 -10.231 -10.583 586 HH21 ARG 66 1HH2 ARG 66 0.483 -10.775 -8.510 587 HH22 ARG 66 2HH2 ARG 66 1.025 -10.821 -10.133 588 H PHE 67 H PHE 67 5.627 -7.033 -2.351 589 HA PHE 67 HA PHE 67 8.483 -6.833 -2.793 590 HB2 PHE 67 2HB PHE 67 6.897 -4.937 -3.225 591 HB3 PHE 67 1HB PHE 67 6.659 -4.804 -1.491 592 HD1 PHE 67 1HD PHE 67 8.990 -4.294 -4.264 593 HD2 PHE 67 2HD PHE 67 8.418 -3.746 -0.057 594 HE1 PHE 67 1HE PHE 67 10.900 -2.748 -4.182 595 HE2 PHE 67 2HE PHE 67 10.311 -2.221 0.002 596 HZ PHE 67 HZ PHE 67 11.558 -1.713 -2.054 597 H PHE 68 H PHE 68 6.384 -6.413 0.082 598 HA PHE 68 HA PHE 68 8.771 -7.053 1.664 599 HB2 PHE 68 2HB PHE 68 8.031 -5.460 3.392 600 HB3 PHE 68 1HB PHE 68 8.381 -4.687 1.857 601 HD1 PHE 68 2HD PHE 68 6.553 -3.721 0.511 602 HD2 PHE 68 1HD PHE 68 5.805 -5.532 4.290 603 HE1 PHE 68 2HE PHE 68 4.344 -2.688 0.569 604 HE2 PHE 68 1HE PHE 68 3.586 -4.497 4.337 605 HZ PHE 68 HZ PHE 68 2.852 -3.075 2.476 606 H LEU 69 H LEU 69 5.255 -7.489 1.493 607 HA LEU 69 HA LEU 69 5.281 -8.628 4.158 608 HB2 LEU 69 2HB LEU 69 3.536 -6.986 3.357 609 HB3 LEU 69 1HB LEU 69 2.877 -8.241 2.347 610 HG LEU 69 HG LEU 69 2.457 -9.595 4.403 611 HD11 LEU 69 1HD1 LEU 69 3.234 -7.034 5.794 612 HD12 LEU 69 2HD1 LEU 69 4.092 -8.571 5.884 613 HD13 LEU 69 3HD1 LEU 69 2.477 -8.425 6.568 614 HD21 LEU 69 3HD2 LEU 69 1.168 -6.872 4.255 615 HD22 LEU 69 1HD2 LEU 69 0.499 -8.278 5.083 616 HD23 LEU 69 2HD2 LEU 69 0.698 -8.296 3.331 617 H LEU 70 H LEU 70 6.537 -9.934 1.914 618 HA LEU 70 HA LEU 70 5.078 -12.354 1.456 619 HB2 LEU 70 2HB LEU 70 7.275 -13.133 0.441 620 HB3 LEU 70 1HB LEU 70 6.506 -11.761 -0.316 621 HG LEU 70 HG LEU 70 8.143 -10.295 0.977 622 HD11 LEU 70 1HD1 LEU 70 8.896 -11.885 2.644 623 HD12 LEU 70 2HD1 LEU 70 10.244 -11.286 1.679 624 HD13 LEU 70 3HD1 LEU 70 9.597 -12.898 1.380 625 HD21 LEU 70 3HD2 LEU 70 9.157 -12.200 -1.108 626 HD22 LEU 70 1HD2 LEU 70 9.947 -10.692 -0.636 627 HD23 LEU 70 2HD2 LEU 70 8.346 -10.655 -1.373 628 H GLU 71 H GLU 71 6.814 -11.099 3.932 629 HA GLU 71 HA GLU 71 7.770 -13.561 5.057 630 HB2 GLU 71 2HB GLU 71 8.837 -11.301 5.486 631 HB3 GLU 71 1HB GLU 71 7.411 -10.848 6.386 632 HG2 GLU 71 2HG GLU 71 9.223 -13.146 7.136 633 HG3 GLU 71 1HG GLU 71 9.391 -11.515 7.762 634 H HIS 72 H HIS 72 6.160 -14.902 5.308 635 HA HIS 72 HA HIS 72 4.220 -14.418 7.358 636 HB2 HIS 72 2HB HIS 72 3.167 -13.606 5.170 637 HB3 HIS 72 1HB HIS 72 3.328 -15.250 4.574 638 HD1 HIS 72 1HD HIS 72 1.503 -16.922 5.264 639 HD2 HIS 72 2HD HIS 72 1.281 -13.295 7.299 640 HE1 HIS 72 1HE HIS 72 -0.670 -16.962 6.490 641 HE2 HIS 72 2HE HIS 72 -0.617 -14.893 7.929 642 H HIS 73 H HIS 73 3.833 -16.382 8.307 643 HA HIS 73 HA HIS 73 5.544 -18.516 7.530 644 HB2 HIS 73 2HB HIS 73 3.500 -18.319 9.732 645 HB3 HIS 73 1HB HIS 73 4.429 -19.778 9.437 646 HD1 HIS 73 1HD HIS 73 4.457 -17.071 11.623 647 HD2 HIS 73 2HD HIS 73 7.408 -18.879 9.341 648 HE1 HIS 73 1HE HIS 73 6.628 -16.422 12.698 649 HE2 HIS 73 2HE HIS 73 8.350 -17.751 11.470 650 H HIS 74 H HIS 74 4.937 -19.066 5.546 651 HA HIS 74 HA HIS 74 4.092 -20.389 3.989 652 HB2 HIS 74 2HB HIS 74 2.692 -21.695 6.319 653 HB3 HIS 74 1HB HIS 74 2.453 -22.250 4.664 654 HD1 HIS 74 1HD HIS 74 4.001 -24.023 3.954 655 HD2 HIS 74 2HD HIS 74 5.623 -21.704 6.980 656 HE1 HIS 74 1HE HIS 74 6.226 -25.047 4.461 657 HE2 HIS 74 2HE HIS 74 7.264 -23.509 6.154 658 H HIS 75 H HIS 75 1.713 -21.314 3.220 659 HA HIS 75 HA HIS 75 0.625 -18.944 2.203 660 HB2 HIS 75 2HB HIS 75 0.680 -21.078 0.992 661 HB3 HIS 75 1HB HIS 75 -0.534 -21.727 2.087 662 HD1 HIS 75 1HD HIS 75 -2.736 -21.808 0.889 663 HD2 HIS 75 2HD HIS 75 -0.496 -18.485 -0.208 664 HE1 HIS 75 1HE HIS 75 -4.128 -20.575 -0.775 665 HE2 HIS 75 2HE HIS 75 -2.546 -18.894 -1.704 666 H HIS 76 H HIS 76 -0.738 -21.212 4.636 667 HA HIS 76 HA HIS 76 -2.175 -18.919 5.584 668 HB2 HIS 76 2HB HIS 76 -4.379 -20.068 5.835 669 HB3 HIS 76 1HB HIS 76 -3.911 -19.765 4.180 670 HD1 HIS 76 1HD HIS 76 -5.523 -21.553 3.270 671 HD2 HIS 76 2HD HIS 76 -2.749 -23.088 5.968 672 HE1 HIS 76 1HE HIS 76 -5.756 -24.032 3.143 673 HE2 HIS 76 2HE HIS 76 -3.888 -24.917 4.552 674 H HIS 77 H HIS 77 -2.148 -18.609 7.587 675 HA HIS 77 HA HIS 77 -2.401 -20.619 9.561 676 HB2 HIS 77 2HB HIS 77 0.281 -19.267 9.182 677 HB3 HIS 77 1HB HIS 77 -0.263 -19.738 10.782 678 HD1 HIS 77 1HD HIS 77 1.881 -20.848 8.337 679 HD2 HIS 77 2HD HIS 77 -1.084 -22.734 10.521 680 HE1 HIS 77 1HE HIS 77 2.511 -23.280 8.371 681 HE2 HIS 77 2HE HIS 77 0.497 -24.401 9.408 Start of MODEL 10 1 H1 MET 1 1HT MET 1 5.584 15.770 -10.060 2 H2 MET 1 2HT MET 1 4.769 16.769 -8.988 3 H3 MET 1 3HT MET 1 4.571 16.976 -10.641 4 HA MET 1 HA MET 1 3.513 14.889 -10.901 5 HB2 MET 1 2HB MET 1 2.865 13.536 -8.968 6 HB3 MET 1 1HB MET 1 4.611 13.677 -9.053 7 HG2 MET 1 2HG MET 1 4.563 15.374 -7.318 8 HG3 MET 1 1HG MET 1 2.805 15.260 -7.233 9 HE1 MET 1 2HE MET 1 4.587 15.085 -4.667 10 HE2 MET 1 3HE MET 1 3.836 13.722 -3.839 11 HE3 MET 1 1HE MET 1 2.834 14.896 -4.687 12 H LEU 2 H LEU 2 3.153 17.720 -8.929 13 HA LEU 2 HA LEU 2 1.473 19.067 -8.424 14 HB2 LEU 2 2HB LEU 2 -0.040 17.478 -10.504 15 HB3 LEU 2 1HB LEU 2 -0.667 18.921 -9.744 16 HG LEU 2 HG LEU 2 1.812 18.822 -11.476 17 HD11 LEU 2 1HD1 LEU 2 0.426 19.971 -13.137 18 HD12 LEU 2 2HD1 LEU 2 -0.980 19.790 -12.088 19 HD13 LEU 2 3HD1 LEU 2 -0.195 18.365 -12.767 20 HD21 LEU 2 3HD2 LEU 2 1.878 20.623 -9.830 21 HD22 LEU 2 1HD2 LEU 2 0.262 21.137 -10.319 22 HD23 LEU 2 2HD2 LEU 2 1.605 21.269 -11.448 23 H LYS 3 H LYS 3 -0.922 19.089 -7.628 24 HA LYS 3 HA LYS 3 -1.121 17.081 -5.579 25 HB2 LYS 3 2HB LYS 3 -2.567 19.634 -6.146 26 HB3 LYS 3 1HB LYS 3 -3.360 18.446 -5.128 27 HG2 LYS 3 2HG LYS 3 -2.198 20.080 -3.763 28 HG3 LYS 3 1HG LYS 3 -1.447 18.505 -3.582 29 HD2 LYS 3 2HD LYS 3 0.298 19.207 -5.205 30 HD3 LYS 3 1HD LYS 3 -0.441 20.811 -5.232 31 HE2 LYS 3 2HE LYS 3 1.447 20.775 -3.710 32 HE3 LYS 3 1HE LYS 3 -0.056 21.021 -2.828 33 HZ1 LYS 3 3HZ LYS 3 1.463 19.409 -1.780 34 HZ2 LYS 3 1HZ LYS 3 1.297 18.389 -3.095 35 HZ3 LYS 3 2HZ LYS 3 -0.027 18.736 -2.107 36 H HIS 4 H HIS 4 -1.317 15.878 -7.932 37 HA HIS 4 HA HIS 4 -4.135 15.020 -8.048 38 HB2 HIS 4 2HB HIS 4 -3.015 15.968 -10.171 39 HB3 HIS 4 1HB HIS 4 -2.018 14.520 -10.151 40 HD1 HIS 4 1HD HIS 4 -2.886 12.789 -11.707 41 HD2 HIS 4 2HD HIS 4 -5.938 15.127 -10.149 42 HE1 HIS 4 1HE HIS 4 -4.980 12.012 -12.830 43 HE2 HIS 4 2HE HIS 4 -6.784 13.594 -11.991 44 H GLY 5 H GLY 5 -1.228 14.412 -6.772 45 HA2 GLY 5 2HA GLY 5 -1.816 11.639 -6.249 46 HA3 GLY 5 1HA GLY 5 -0.243 12.014 -6.960 47 H LYS 6 H LYS 6 -1.524 11.334 -4.147 48 HA LYS 6 HA LYS 6 0.270 13.154 -2.679 49 HB2 LYS 6 2HB LYS 6 -1.345 13.105 -0.803 50 HB3 LYS 6 1HB LYS 6 -1.948 13.947 -2.226 51 HG2 LYS 6 2HG LYS 6 -3.242 11.925 -2.817 52 HG3 LYS 6 1HG LYS 6 -2.670 11.155 -1.341 53 HD2 LYS 6 2HD LYS 6 -4.253 13.735 -1.368 54 HD3 LYS 6 1HD LYS 6 -5.004 12.152 -1.267 55 HE2 LYS 6 2HE LYS 6 -4.892 12.979 0.944 56 HE3 LYS 6 1HE LYS 6 -3.626 11.771 0.829 57 HZ1 LYS 6 3HZ LYS 6 -3.266 14.717 0.724 58 HZ2 LYS 6 1HZ LYS 6 -1.994 13.619 0.632 59 HZ3 LYS 6 2HZ LYS 6 -2.917 13.743 2.022 60 H TYR 7 H TYR 7 1.222 12.270 -0.777 61 HA TYR 7 HA TYR 7 1.329 9.362 -0.896 62 HB2 TYR 7 2HB TYR 7 3.271 11.365 0.232 63 HB3 TYR 7 1HB TYR 7 3.401 9.639 0.526 64 HD1 TYR 7 2HD TYR 7 3.930 8.108 -1.301 65 HD2 TYR 7 1HD TYR 7 3.832 12.308 -1.907 66 HE1 TYR 7 2HE TYR 7 5.144 7.821 -3.410 67 HE2 TYR 7 1HE TYR 7 5.045 12.029 -4.022 68 HH TYR 7 HH TYR 7 6.541 10.408 -5.050 69 H VAL 8 H VAL 8 0.491 8.196 0.537 70 HA VAL 8 HA VAL 8 0.165 9.214 3.261 71 HB VAL 8 HB VAL 8 -1.952 8.042 3.546 72 HG11 VAL 8 1HG1 VAL 8 -2.158 10.320 2.807 73 HG12 VAL 8 2HG1 VAL 8 -3.451 9.345 2.109 74 HG13 VAL 8 3HG1 VAL 8 -2.067 9.812 1.123 75 HG21 VAL 8 3HG2 VAL 8 -1.609 6.177 2.038 76 HG22 VAL 8 1HG2 VAL 8 -1.720 7.257 0.649 77 HG23 VAL 8 2HG2 VAL 8 -3.137 6.980 1.666 78 H TYR 9 H TYR 9 -0.573 6.957 4.549 79 HA TYR 9 HA TYR 9 1.525 5.076 3.763 80 HB2 TYR 9 2HB TYR 9 0.804 6.018 6.526 81 HB3 TYR 9 1HB TYR 9 1.856 4.645 6.199 82 HD1 TYR 9 1HD TYR 9 4.070 5.007 5.228 83 HD2 TYR 9 2HD TYR 9 1.557 8.282 6.263 84 HE1 TYR 9 1HE TYR 9 6.001 6.514 5.118 85 HE2 TYR 9 2HE TYR 9 3.482 9.798 6.144 86 HH TYR 9 HH TYR 9 5.928 9.578 6.413 87 H ILE 10 H ILE 10 1.023 2.997 3.865 88 HA ILE 10 HA ILE 10 -1.747 2.325 4.460 89 HB ILE 10 HB ILE 10 0.486 0.567 3.409 90 HG12 ILE 10 2HG1 ILE 10 -0.081 2.244 1.770 91 HG13 ILE 10 1HG1 ILE 10 -0.708 0.691 1.237 92 HG21 ILE 10 1HG2 ILE 10 -1.238 -1.075 2.828 93 HG22 ILE 10 2HG2 ILE 10 -2.448 -0.070 3.624 94 HG23 ILE 10 3HG2 ILE 10 -1.148 -0.795 4.568 95 HD11 ILE 10 3HD1 ILE 10 -2.287 2.940 2.473 96 HD12 ILE 10 1HD1 ILE 10 -2.925 1.352 2.045 97 HD13 ILE 10 2HD1 ILE 10 -2.313 2.422 0.785 98 H ASP 11 H ASP 11 -2.379 1.451 6.256 99 HA ASP 11 HA ASP 11 -0.494 1.175 8.402 100 HB2 ASP 11 2HB ASP 11 -2.672 2.245 8.860 101 HB3 ASP 11 1HB ASP 11 -3.495 0.767 8.409 102 H LEU 12 H LEU 12 0.708 -0.444 7.695 103 HA LEU 12 HA LEU 12 -0.211 -3.140 7.405 104 HB2 LEU 12 2HB LEU 12 2.511 -2.119 8.229 105 HB3 LEU 12 1HB LEU 12 2.150 -3.718 7.616 106 HG LEU 12 HG LEU 12 1.896 -1.172 6.018 107 HD11 LEU 12 1HD1 LEU 12 4.206 -1.617 6.583 108 HD12 LEU 12 2HD1 LEU 12 3.919 -1.963 4.874 109 HD13 LEU 12 3HD1 LEU 12 4.039 -3.283 6.037 110 HD21 LEU 12 3HD2 LEU 12 1.744 -4.082 5.205 111 HD22 LEU 12 1HD2 LEU 12 1.717 -2.699 4.107 112 HD23 LEU 12 2HD2 LEU 12 0.401 -2.935 5.254 113 H ASN 13 H ASN 13 0.943 -1.058 9.851 114 HA ASN 13 HA ASN 13 0.671 -0.872 12.077 115 HB2 ASN 13 2HB ASN 13 -1.606 -1.993 11.423 116 HB3 ASN 13 1HB ASN 13 -0.937 -3.389 12.256 117 HD21 ASN 13 1HD2 ASN 13 -2.044 -0.179 12.523 118 HD22 ASN 13 2HD2 ASN 13 -2.232 -0.115 14.236 119 H ASN 14 H ASN 14 2.247 -3.330 10.663 120 HA ASN 14 HA ASN 14 3.040 -4.746 13.062 121 HB2 ASN 14 2HB ASN 14 4.379 -6.184 11.494 122 HB3 ASN 14 1HB ASN 14 2.655 -6.169 11.175 123 HD21 ASN 14 1HD2 ASN 14 2.932 -6.834 9.055 124 HD22 ASN 14 2HD2 ASN 14 3.590 -5.811 7.837 125 H GLY 15 H GLY 15 3.831 -1.917 12.443 126 HA2 GLY 15 2HA GLY 15 5.619 -0.900 13.662 127 HA3 GLY 15 1HA GLY 15 6.614 -2.299 13.311 128 H LYS 16 H LYS 16 5.428 -1.937 10.434 129 HA LYS 16 HA LYS 16 7.057 0.350 9.670 130 HB2 LYS 16 2HB LYS 16 7.796 -0.918 7.646 131 HB3 LYS 16 1HB LYS 16 8.403 -1.600 9.145 132 HG2 LYS 16 2HG LYS 16 6.620 -3.309 9.041 133 HG3 LYS 16 1HG LYS 16 6.119 -2.644 7.489 134 HD2 LYS 16 2HD LYS 16 8.303 -3.173 6.536 135 HD3 LYS 16 1HD LYS 16 8.852 -3.781 8.097 136 HE2 LYS 16 2HE LYS 16 7.092 -5.497 8.029 137 HE3 LYS 16 1HE LYS 16 6.582 -4.904 6.450 138 HZ1 LYS 16 3HZ LYS 16 8.848 -5.468 5.635 139 HZ2 LYS 16 1HZ LYS 16 7.959 -6.797 6.157 140 HZ3 LYS 16 2HZ LYS 16 9.186 -6.183 7.123 141 H TYR 17 H TYR 17 6.383 1.297 7.630 142 HA TYR 17 HA TYR 17 3.607 0.704 6.903 143 HB2 TYR 17 2HB TYR 17 4.706 3.373 7.817 144 HB3 TYR 17 1HB TYR 17 3.281 3.254 6.799 145 HD1 TYR 17 2HD TYR 17 4.610 1.935 10.042 146 HD2 TYR 17 1HD TYR 17 1.212 3.163 7.816 147 HE1 TYR 17 2HE TYR 17 3.200 1.630 12.030 148 HE2 TYR 17 1HE TYR 17 -0.196 2.868 9.801 149 HH TYR 17 HH TYR 17 -0.193 1.660 11.803 150 H VAL 18 H VAL 18 3.132 1.216 4.765 151 HA VAL 18 HA VAL 18 5.500 1.864 3.207 152 HB VAL 18 HB VAL 18 4.588 -0.279 2.511 153 HG11 VAL 18 1HG1 VAL 18 2.335 -0.533 1.626 154 HG12 VAL 18 2HG1 VAL 18 1.985 1.130 2.102 155 HG13 VAL 18 3HG1 VAL 18 2.373 -0.087 3.332 156 HG21 VAL 18 3HG2 VAL 18 3.871 1.826 0.477 157 HG22 VAL 18 1HG2 VAL 18 4.095 0.109 0.138 158 HG23 VAL 18 2HG2 VAL 18 5.453 1.079 0.701 159 H LYS 19 H LYS 19 5.693 3.567 2.035 160 HA LYS 19 HA LYS 19 3.653 5.623 2.271 161 HB2 LYS 19 2HB LYS 19 6.008 6.146 2.854 162 HB3 LYS 19 1HB LYS 19 6.496 5.701 1.229 163 HG2 LYS 19 2HG LYS 19 5.207 7.559 0.320 164 HG3 LYS 19 1HG LYS 19 4.691 8.001 1.949 165 HD2 LYS 19 2HD LYS 19 7.016 8.400 2.585 166 HD3 LYS 19 1HD LYS 19 7.545 7.924 0.971 167 HE2 LYS 19 2HE LYS 19 6.288 9.789 0.010 168 HE3 LYS 19 1HE LYS 19 5.739 10.245 1.617 169 HZ1 LYS 19 3HZ LYS 19 8.574 10.221 0.739 170 HZ2 LYS 19 1HZ LYS 19 8.010 10.725 2.241 171 HZ3 LYS 19 2HZ LYS 19 7.621 11.586 0.838 172 H VAL 20 H VAL 20 2.194 5.569 0.747 173 HA VAL 20 HA VAL 20 2.998 4.758 -1.951 174 HB VAL 20 HB VAL 20 1.713 3.030 -0.826 175 HG11 VAL 20 1HG1 VAL 20 0.431 4.344 0.733 176 HG12 VAL 20 2HG1 VAL 20 -0.667 3.367 -0.246 177 HG13 VAL 20 3HG1 VAL 20 -0.476 5.086 -0.584 178 HG21 VAL 20 3HG2 VAL 20 1.428 3.160 -3.221 179 HG22 VAL 20 1HG2 VAL 20 0.151 4.365 -3.039 180 HG23 VAL 20 2HG2 VAL 20 -0.107 2.711 -2.483 181 H ARG 21 H ARG 21 2.119 5.870 -3.641 182 HA ARG 21 HA ARG 21 0.990 8.455 -2.961 183 HB2 ARG 21 2HB ARG 21 2.992 8.329 -4.471 184 HB3 ARG 21 1HB ARG 21 2.011 7.475 -5.646 185 HG2 ARG 21 2HG ARG 21 0.617 9.415 -5.971 186 HG3 ARG 21 1HG ARG 21 1.435 10.265 -4.658 187 HD2 ARG 21 2HD ARG 21 2.319 11.094 -6.726 188 HD3 ARG 21 1HD ARG 21 3.555 10.103 -5.967 189 HE ARG 21 HE ARG 21 1.857 9.239 -8.206 190 HH11 ARG 21 1HH1 ARG 21 5.057 9.173 -6.550 191 HH12 ARG 21 2HH1 ARG 21 5.806 8.288 -7.777 192 HH21 ARG 21 1HH2 ARG 21 2.959 8.006 -9.885 193 HH22 ARG 21 2HH2 ARG 21 4.600 7.630 -9.731 194 H ILE 22 H ILE 22 -1.047 8.697 -3.061 195 HA ILE 22 HA ILE 22 -2.811 6.763 -4.305 196 HB ILE 22 HB ILE 22 -3.522 9.373 -2.943 197 HG12 ILE 22 2HG1 ILE 22 -2.230 8.064 -1.362 198 HG13 ILE 22 1HG1 ILE 22 -3.918 8.071 -0.876 199 HG21 ILE 22 1HG2 ILE 22 -5.706 8.320 -2.549 200 HG22 ILE 22 2HG2 ILE 22 -5.167 6.891 -3.430 201 HG23 ILE 22 3HG2 ILE 22 -5.323 8.435 -4.270 202 HD11 ILE 22 3HD1 ILE 22 -2.937 5.884 -0.557 203 HD12 ILE 22 1HD1 ILE 22 -2.464 5.828 -2.257 204 HD13 ILE 22 2HD1 ILE 22 -4.174 5.827 -1.807 205 H LEU 23 H LEU 23 -3.414 7.046 -6.384 206 HA LEU 23 HA LEU 23 -3.025 9.666 -7.586 207 HB2 LEU 23 2HB LEU 23 -3.959 7.069 -8.829 208 HB3 LEU 23 1HB LEU 23 -3.440 8.510 -9.677 209 HG LEU 23 HG LEU 23 -1.663 6.722 -8.019 210 HD11 LEU 23 1HD1 LEU 23 -2.379 5.647 -10.067 211 HD12 LEU 23 2HD1 LEU 23 -0.674 6.078 -10.149 212 HD13 LEU 23 3HD1 LEU 23 -1.870 7.054 -11.003 213 HD21 LEU 23 3HD2 LEU 23 -0.990 9.105 -9.742 214 HD22 LEU 23 1HD2 LEU 23 0.176 8.042 -8.956 215 HD23 LEU 23 2HD2 LEU 23 -0.907 9.042 -7.983 216 H LYS 24 H LYS 24 -4.691 10.955 -7.256 217 HA LYS 24 HA LYS 24 -7.347 9.728 -7.043 218 HB2 LYS 24 2HB LYS 24 -6.426 10.783 -4.984 219 HB3 LYS 24 1HB LYS 24 -6.348 12.312 -5.840 220 HG2 LYS 24 2HG LYS 24 -8.821 12.211 -6.121 221 HG3 LYS 24 1HG LYS 24 -8.828 10.764 -5.108 222 HD2 LYS 24 2HD LYS 24 -7.804 13.485 -4.273 223 HD3 LYS 24 1HD LYS 24 -9.362 12.801 -3.825 224 HE2 LYS 24 2HE LYS 24 -6.705 11.521 -3.125 225 HE3 LYS 24 1HE LYS 24 -7.551 12.634 -2.069 226 HZ1 LYS 24 3HZ LYS 24 -8.673 10.003 -2.994 227 HZ2 LYS 24 1HZ LYS 24 -9.388 11.124 -1.964 228 HZ3 LYS 24 2HZ LYS 24 -7.996 10.332 -1.495 229 H SER 25 H SER 25 -8.316 9.999 -8.935 230 HA SER 25 HA SER 25 -7.913 12.549 -10.298 231 HB2 SER 25 2HB SER 25 -8.576 9.936 -11.623 232 HB3 SER 25 1HB SER 25 -7.947 11.409 -12.362 233 HG SER 25 HG SER 25 -6.556 10.119 -10.333 234 H ARG 26 H ARG 26 -9.734 13.101 -8.830 235 HA ARG 26 HA ARG 26 -12.306 12.133 -9.737 236 HB2 ARG 26 2HB ARG 26 -11.610 14.184 -7.619 237 HB3 ARG 26 1HB ARG 26 -13.252 13.685 -8.026 238 HG2 ARG 26 2HG ARG 26 -12.694 11.375 -7.409 239 HG3 ARG 26 1HG ARG 26 -11.076 11.901 -6.961 240 HD2 ARG 26 2HD ARG 26 -12.052 13.377 -5.261 241 HD3 ARG 26 1HD ARG 26 -13.659 12.797 -5.701 242 HE ARG 26 HE ARG 26 -12.319 10.520 -5.164 243 HH11 ARG 26 1HH1 ARG 26 -13.005 13.438 -3.275 244 HH12 ARG 26 2HH1 ARG 26 -12.725 12.667 -1.782 245 HH21 ARG 26 1HH2 ARG 26 -11.948 9.514 -3.137 246 HH22 ARG 26 2HH2 ARG 26 -12.156 10.396 -1.686 247 H ASP 27 H ASP 27 -10.040 14.278 -10.648 248 HA ASP 27 HA ASP 27 -11.609 16.340 -11.796 249 HB2 ASP 27 2HB ASP 27 -9.586 16.925 -13.006 250 HB3 ASP 27 1HB ASP 27 -9.128 16.482 -11.369 251 H ASP 28 H ASP 28 -10.420 13.215 -12.783 252 HA ASP 28 HA ASP 28 -11.578 13.300 -15.393 253 HB2 ASP 28 2HB ASP 28 -9.747 11.727 -14.921 254 HB3 ASP 28 1HB ASP 28 -10.765 10.886 -13.752 255 H ASN 29 H ASN 29 -12.409 11.552 -12.447 256 HA ASN 29 HA ASN 29 -15.067 12.416 -12.402 257 HB2 ASN 29 2HB ASN 29 -15.288 10.796 -14.337 258 HB3 ASN 29 1HB ASN 29 -14.840 9.510 -13.219 259 HD21 ASN 29 1HD2 ASN 29 -16.373 8.842 -11.612 260 HD22 ASN 29 2HD2 ASN 29 -18.007 9.339 -11.712 261 H SER 30 H SER 30 -13.633 9.203 -11.677 262 HA SER 30 HA SER 30 -13.621 9.892 -8.867 263 HB2 SER 30 2HB SER 30 -15.054 7.840 -8.421 264 HB3 SER 30 1HB SER 30 -15.891 9.261 -9.061 265 HG SER 30 HG SER 30 -15.669 6.794 -10.106 266 H VAL 31 H VAL 31 -11.701 9.080 -10.862 267 HA VAL 31 HA VAL 31 -11.122 6.280 -10.377 268 HB VAL 31 HB VAL 31 -9.422 8.313 -11.835 269 HG11 VAL 31 1HG1 VAL 31 -8.131 6.405 -11.143 270 HG12 VAL 31 2HG1 VAL 31 -8.357 6.382 -12.891 271 HG13 VAL 31 3HG1 VAL 31 -9.312 5.312 -11.863 272 HG21 VAL 31 3HG2 VAL 31 -11.576 8.115 -12.912 273 HG22 VAL 31 1HG2 VAL 31 -11.421 6.359 -12.943 274 HG23 VAL 31 2HG2 VAL 31 -10.327 7.357 -13.901 275 H GLU 32 H GLU 32 -10.285 5.745 -8.475 276 HA GLU 32 HA GLU 32 -7.938 7.252 -7.625 277 HB2 GLU 32 2HB GLU 32 -9.989 5.995 -5.809 278 HB3 GLU 32 1HB GLU 32 -8.433 6.616 -5.271 279 HG2 GLU 32 2HG GLU 32 -9.085 8.832 -6.190 280 HG3 GLU 32 1HG GLU 32 -10.661 8.110 -6.524 281 H LYS 33 H LYS 33 -6.406 6.134 -8.279 282 HA LYS 33 HA LYS 33 -6.417 3.267 -7.743 283 HB2 LYS 33 2HB LYS 33 -5.084 4.746 -10.022 284 HB3 LYS 33 1HB LYS 33 -4.886 3.029 -9.689 285 HG2 LYS 33 2HG LYS 33 -7.276 2.677 -10.025 286 HG3 LYS 33 1HG LYS 33 -7.488 4.389 -10.357 287 HD2 LYS 33 2HD LYS 33 -7.445 3.171 -12.436 288 HD3 LYS 33 1HD LYS 33 -5.984 4.148 -12.312 289 HE2 LYS 33 2HE LYS 33 -4.675 2.232 -11.728 290 HE3 LYS 33 1HE LYS 33 -6.111 1.219 -11.592 291 HZ1 LYS 33 3HZ LYS 33 -6.490 1.552 -13.964 292 HZ2 LYS 33 1HZ LYS 33 -4.986 0.846 -13.687 293 HZ3 LYS 33 2HZ LYS 33 -5.085 2.474 -14.082 294 H TYR 34 H TYR 34 -4.186 2.435 -7.475 295 HA TYR 34 HA TYR 34 -2.781 4.383 -5.825 296 HB2 TYR 34 2HB TYR 34 -3.028 1.393 -5.380 297 HB3 TYR 34 1HB TYR 34 -2.265 2.557 -4.289 298 HD1 TYR 34 1HD TYR 34 -3.717 4.369 -3.264 299 HD2 TYR 34 2HD TYR 34 -5.394 1.018 -5.264 300 HE1 TYR 34 1HE TYR 34 -5.922 4.832 -2.213 301 HE2 TYR 34 2HE TYR 34 -7.571 1.480 -4.205 302 HH TYR 34 HH TYR 34 -8.246 4.373 -2.567 303 H VAL 35 H VAL 35 -0.558 4.335 -5.861 304 HA VAL 35 HA VAL 35 0.493 3.783 -8.410 305 HB VAL 35 HB VAL 35 1.210 5.650 -6.856 306 HG11 VAL 35 1HG1 VAL 35 1.505 4.554 -4.832 307 HG12 VAL 35 2HG1 VAL 35 3.092 5.170 -5.319 308 HG13 VAL 35 3HG1 VAL 35 2.698 3.457 -5.510 309 HG21 VAL 35 3HG2 VAL 35 3.421 3.989 -8.057 310 HG22 VAL 35 1HG2 VAL 35 3.548 5.687 -7.600 311 HG23 VAL 35 2HG2 VAL 35 2.456 5.206 -8.898 312 H LEU 36 H LEU 36 2.390 2.564 -8.847 313 HA LEU 36 HA LEU 36 2.100 -0.158 -8.099 314 HB2 LEU 36 2HB LEU 36 2.467 0.729 -10.423 315 HB3 LEU 36 1HB LEU 36 4.098 1.133 -9.955 316 HG LEU 36 HG LEU 36 4.612 -1.249 -9.655 317 HD11 LEU 36 1HD1 LEU 36 3.001 -2.932 -10.385 318 HD12 LEU 36 2HD1 LEU 36 1.786 -1.670 -10.625 319 HD13 LEU 36 3HD1 LEU 36 2.391 -2.016 -9.007 320 HD21 LEU 36 3HD2 LEU 36 4.497 -1.884 -12.000 321 HD22 LEU 36 1HD2 LEU 36 4.966 -0.194 -11.830 322 HD23 LEU 36 2HD2 LEU 36 3.319 -0.607 -12.296 323 H THR 37 H THR 37 3.614 2.217 -6.482 324 HA THR 37 HA THR 37 6.255 1.127 -6.108 325 HB THR 37 HB THR 37 4.689 3.515 -5.202 326 HG1 THR 37 1HG THR 37 5.861 3.017 -7.414 327 HG21 THR 37 3HG2 THR 37 6.211 3.050 -3.478 328 HG22 THR 37 1HG2 THR 37 6.787 4.451 -4.377 329 HG23 THR 37 2HG2 THR 37 7.565 2.862 -4.615 330 H SER 38 H SER 38 7.015 0.358 -4.069 331 HA SER 38 HA SER 38 5.044 -0.267 -2.010 332 HB2 SER 38 2HB SER 38 6.506 -2.331 -1.804 333 HB3 SER 38 1HB SER 38 5.446 -2.241 -3.222 334 HG SER 38 HG SER 38 7.123 -2.249 -4.430 335 H HIS 39 H HIS 39 7.071 1.952 -2.186 336 HA HIS 39 HA HIS 39 9.396 1.377 -0.638 337 HB2 HIS 39 2HB HIS 39 8.037 4.056 -0.994 338 HB3 HIS 39 1HB HIS 39 9.588 3.836 -0.209 339 HD1 HIS 39 1HD HIS 39 9.216 5.612 -2.709 340 HD2 HIS 39 2HD HIS 39 10.481 1.668 -2.787 341 HE1 HIS 39 1HE HIS 39 10.478 5.353 -4.866 342 HE2 HIS 39 2HE HIS 39 10.903 2.872 -4.999 343 H VAL 40 H VAL 40 9.354 0.601 1.315 344 HA VAL 40 HA VAL 40 7.340 1.499 3.183 345 HB VAL 40 HB VAL 40 8.395 -0.262 4.730 346 HG11 VAL 40 1HG1 VAL 40 7.148 -2.060 3.607 347 HG12 VAL 40 2HG1 VAL 40 7.009 -1.031 2.176 348 HG13 VAL 40 3HG1 VAL 40 6.257 -0.546 3.697 349 HG21 VAL 40 3HG2 VAL 40 10.477 -0.554 3.449 350 HG22 VAL 40 1HG2 VAL 40 9.543 -1.192 2.093 351 HG23 VAL 40 2HG2 VAL 40 9.590 -2.073 3.621 352 H SER 41 H SER 41 7.726 2.241 5.174 353 HA SER 41 HA SER 41 10.362 3.409 5.578 354 HB2 SER 41 2HB SER 41 8.507 5.052 5.209 355 HB3 SER 41 1HB SER 41 7.681 4.377 6.609 356 HG SER 41 HG SER 41 9.439 6.268 6.561 357 H LYS 42 H LYS 42 11.217 3.102 7.565 358 HA LYS 42 HA LYS 42 10.036 0.990 9.214 359 HB2 LYS 42 2HB LYS 42 12.257 0.907 10.277 360 HB3 LYS 42 1HB LYS 42 12.355 0.738 8.531 361 HG2 LYS 42 2HG LYS 42 12.916 3.189 8.425 362 HG3 LYS 42 1HG LYS 42 13.032 3.156 10.176 363 HD2 LYS 42 2HD LYS 42 15.225 2.918 9.191 364 HD3 LYS 42 1HD LYS 42 14.754 1.440 10.036 365 HE2 LYS 42 2HE LYS 42 14.265 0.322 7.969 366 HE3 LYS 42 1HE LYS 42 14.439 1.817 7.057 367 HZ1 LYS 42 3HZ LYS 42 16.740 1.839 7.527 368 HZ2 LYS 42 1HZ LYS 42 16.350 0.356 6.852 369 HZ3 LYS 42 2HZ LYS 42 16.650 0.464 8.512 370 H ASN 43 H ASN 43 9.327 3.954 9.020 371 HA ASN 43 HA ASN 43 9.505 4.627 11.874 372 HB2 ASN 43 2HB ASN 43 9.219 6.567 9.563 373 HB3 ASN 43 1HB ASN 43 9.545 6.950 11.244 374 HD21 ASN 43 1HD2 ASN 43 10.857 5.915 8.246 375 HD22 ASN 43 2HD2 ASN 43 12.525 6.025 8.650 376 H ARG 44 H ARG 44 7.524 5.277 12.776 377 HA ARG 44 HA ARG 44 5.217 4.812 11.059 378 HB2 ARG 44 2HB ARG 44 5.314 5.239 14.052 379 HB3 ARG 44 1HB ARG 44 3.852 4.973 13.125 380 HG2 ARG 44 2HG ARG 44 4.928 2.756 12.432 381 HG3 ARG 44 1HG ARG 44 6.052 3.056 13.758 382 HD2 ARG 44 2HD ARG 44 4.160 3.311 15.305 383 HD3 ARG 44 1HD ARG 44 3.045 2.936 13.994 384 HE ARG 44 HE ARG 44 5.117 1.058 14.845 385 HH11 ARG 44 1HH1 ARG 44 1.673 1.632 14.052 386 HH12 ARG 44 2HH1 ARG 44 1.159 0.128 14.640 387 HH21 ARG 44 1HH2 ARG 44 4.379 -1.045 15.574 388 HH22 ARG 44 2HH2 ARG 44 2.737 -1.447 15.499 389 HA PRO 45 HA PRO 45 4.579 9.204 10.919 390 HB2 PRO 45 2HB PRO 45 2.158 9.196 9.727 391 HB3 PRO 45 1HB PRO 45 3.637 8.876 8.822 392 HG2 PRO 45 2HG PRO 45 1.561 6.974 9.796 393 HG3 PRO 45 1HG PRO 45 2.552 6.915 8.328 394 HD2 PRO 45 2HD PRO 45 3.029 5.444 10.623 395 HD3 PRO 45 1HD PRO 45 4.228 5.801 9.366 396 H LYS 46 H LYS 46 3.320 10.685 12.039 397 HA LYS 46 HA LYS 46 1.606 9.436 14.019 398 HB2 LYS 46 2HB LYS 46 1.799 11.567 15.380 399 HB3 LYS 46 1HB LYS 46 3.256 10.614 15.251 400 HG2 LYS 46 2HG LYS 46 2.769 12.983 13.476 401 HG3 LYS 46 1HG LYS 46 3.413 13.166 15.106 402 HD2 LYS 46 2HD LYS 46 5.296 11.721 14.525 403 HD3 LYS 46 1HD LYS 46 4.674 11.521 12.894 404 HE2 LYS 46 2HE LYS 46 4.922 13.923 12.510 405 HE3 LYS 46 1HE LYS 46 5.514 14.133 14.155 406 HZ1 LYS 46 3HZ LYS 46 7.347 14.035 12.576 407 HZ2 LYS 46 1HZ LYS 46 6.823 12.537 12.024 408 HZ3 LYS 46 2HZ LYS 46 7.397 12.678 13.577 409 H ASN 47 H ASN 47 1.673 12.427 12.143 410 HA ASN 47 HA ASN 47 -1.237 12.180 12.007 411 HB2 ASN 47 2HB ASN 47 -0.612 14.253 13.150 412 HB3 ASN 47 1HB ASN 47 0.425 14.716 11.799 413 HD21 ASN 47 1HD2 ASN 47 -2.863 14.365 12.906 414 HD22 ASN 47 2HD2 ASN 47 -3.594 15.233 11.608 415 H ALA 48 H ALA 48 -1.284 10.892 10.280 416 HA ALA 48 HA ALA 48 -1.097 12.162 7.759 417 HB1 ALA 48 1HB ALA 48 1.216 11.308 7.941 418 HB2 ALA 48 2HB ALA 48 0.298 10.367 6.766 419 HB3 ALA 48 3HB ALA 48 0.593 9.715 8.376 420 H ILE 49 H ILE 49 -2.217 10.693 6.234 421 HA ILE 49 HA ILE 49 -4.220 9.237 7.692 422 HB ILE 49 HB ILE 49 -3.937 9.783 4.727 423 HG12 ILE 49 2HG1 ILE 49 -4.464 11.791 6.012 424 HG13 ILE 49 1HG1 ILE 49 -5.855 11.294 5.055 425 HG21 ILE 49 1HG2 ILE 49 -6.229 8.927 4.478 426 HG22 ILE 49 2HG2 ILE 49 -6.212 8.452 6.182 427 HG23 ILE 49 3HG2 ILE 49 -5.110 7.681 5.045 428 HD11 ILE 49 3HD1 ILE 49 -6.534 12.045 7.255 429 HD12 ILE 49 1HD1 ILE 49 -5.487 10.849 8.017 430 HD13 ILE 49 2HD1 ILE 49 -6.876 10.329 7.064 431 H VAL 50 H VAL 50 -4.092 7.215 8.117 432 HA VAL 50 HA VAL 50 -2.345 5.582 6.466 433 HB VAL 50 HB VAL 50 -2.087 4.025 8.358 434 HG11 VAL 50 1HG1 VAL 50 -0.712 5.430 9.825 435 HG12 VAL 50 2HG1 VAL 50 -1.399 6.864 9.062 436 HG13 VAL 50 3HG1 VAL 50 -0.429 5.735 8.112 437 HG21 VAL 50 3HG2 VAL 50 -4.210 4.410 9.520 438 HG22 VAL 50 1HG2 VAL 50 -3.675 6.029 9.968 439 HG23 VAL 50 2HG2 VAL 50 -2.844 4.616 10.618 440 H ILE 51 H ILE 51 -3.230 4.165 5.245 441 HA ILE 51 HA ILE 51 -6.049 3.480 5.699 442 HB ILE 51 HB ILE 51 -4.440 3.168 3.130 443 HG12 ILE 51 2HG1 ILE 51 -6.441 5.325 3.887 444 HG13 ILE 51 1HG1 ILE 51 -4.700 5.548 3.761 445 HG21 ILE 51 1HG2 ILE 51 -6.640 2.852 2.084 446 HG22 ILE 51 2HG2 ILE 51 -7.412 3.016 3.658 447 HG23 ILE 51 3HG2 ILE 51 -6.352 1.644 3.338 448 HD11 ILE 51 3HD1 ILE 51 -6.563 4.836 1.502 449 HD12 ILE 51 1HD1 ILE 51 -4.817 5.053 1.367 450 HD13 ILE 51 2HD1 ILE 51 -5.845 6.416 1.804 451 H LYS 52 H LYS 52 -6.418 1.476 6.406 452 HA LYS 52 HA LYS 52 -4.191 -0.344 6.733 453 HB2 LYS 52 2HB LYS 52 -5.928 0.116 8.488 454 HB3 LYS 52 1HB LYS 52 -7.089 -0.725 7.482 455 HG2 LYS 52 2HG LYS 52 -5.822 -2.789 7.709 456 HG3 LYS 52 1HG LYS 52 -4.600 -1.947 8.668 457 HD2 LYS 52 2HD LYS 52 -6.312 -1.396 10.335 458 HD3 LYS 52 1HD LYS 52 -7.506 -2.283 9.384 459 HE2 LYS 52 2HE LYS 52 -6.194 -4.333 9.680 460 HE3 LYS 52 1HE LYS 52 -5.021 -3.438 10.642 461 HZ1 LYS 52 3HZ LYS 52 -7.884 -3.764 11.316 462 HZ2 LYS 52 1HZ LYS 52 -6.748 -2.963 12.254 463 HZ3 LYS 52 2HZ LYS 52 -6.652 -4.635 12.029 464 H MET 53 H MET 53 -4.261 -2.559 6.067 465 HA MET 53 HA MET 53 -4.391 -3.027 3.366 466 HB2 MET 53 2HB MET 53 -4.817 -5.084 5.532 467 HB3 MET 53 1HB MET 53 -4.500 -5.472 3.856 468 HG2 MET 53 2HG MET 53 -2.297 -4.381 4.057 469 HG3 MET 53 1HG MET 53 -2.634 -4.061 5.759 470 HE1 MET 53 3HE MET 53 -0.400 -5.334 6.501 471 HE2 MET 53 1HE MET 53 -0.020 -5.661 4.810 472 HE3 MET 53 2HE MET 53 0.006 -6.971 5.989 473 H ASP 54 H ASP 54 -6.935 -3.404 5.635 474 HA ASP 54 HA ASP 54 -8.745 -5.033 4.277 475 HB2 ASP 54 2HB ASP 54 -8.914 -4.472 6.656 476 HB3 ASP 54 1HB ASP 54 -9.341 -2.818 6.238 477 H ASN 55 H ASN 55 -8.088 -1.649 3.818 478 HA ASN 55 HA ASN 55 -10.519 -1.282 2.238 479 HB2 ASN 55 2HB ASN 55 -9.862 0.458 3.889 480 HB3 ASN 55 1HB ASN 55 -8.380 0.732 2.988 481 HD21 ASN 55 1HD2 ASN 55 -8.469 1.972 1.092 482 HD22 ASN 55 2HD2 ASN 55 -9.907 2.802 0.604 483 H LEU 56 H LEU 56 -7.371 -2.303 1.672 484 HA LEU 56 HA LEU 56 -7.167 -0.942 -0.874 485 HB2 LEU 56 2HB LEU 56 -5.203 -2.693 0.585 486 HB3 LEU 56 1HB LEU 56 -4.943 -2.203 -1.071 487 HG LEU 56 HG LEU 56 -3.627 -0.808 0.314 488 HD11 LEU 56 1HD1 LEU 56 -4.438 1.416 -0.190 489 HD12 LEU 56 2HD1 LEU 56 -6.040 0.775 -0.525 490 HD13 LEU 56 3HD1 LEU 56 -4.679 0.326 -1.556 491 HD21 LEU 56 3HD2 LEU 56 -4.686 0.642 2.086 492 HD22 LEU 56 1HD2 LEU 56 -4.656 -1.091 2.445 493 HD23 LEU 56 2HD2 LEU 56 -6.133 -0.329 1.880 494 HA PRO 57 HA PRO 57 -8.741 -4.267 -3.338 495 HB2 PRO 57 2HB PRO 57 -6.740 -3.399 -5.350 496 HB3 PRO 57 1HB PRO 57 -8.495 -3.508 -5.498 497 HG2 PRO 57 2HG PRO 57 -7.306 -1.146 -5.318 498 HG3 PRO 57 1HG PRO 57 -8.837 -1.456 -4.477 499 HD2 PRO 57 2HD PRO 57 -6.054 -1.418 -3.391 500 HD3 PRO 57 1HD PRO 57 -7.547 -0.721 -2.722 501 H ILE 58 H ILE 58 -8.043 -6.260 -4.347 502 HA ILE 58 HA ILE 58 -5.968 -7.434 -2.920 503 HB ILE 58 HB ILE 58 -6.278 -9.489 -4.334 504 HG12 ILE 58 2HG1 ILE 58 -8.527 -9.508 -5.647 505 HG13 ILE 58 1HG1 ILE 58 -8.347 -7.764 -5.714 506 HG21 ILE 58 1HG2 ILE 58 -8.484 -10.030 -3.415 507 HG22 ILE 58 2HG2 ILE 58 -8.704 -8.329 -3.009 508 HG23 ILE 58 3HG2 ILE 58 -7.407 -9.254 -2.252 509 HD11 ILE 58 3HD1 ILE 58 -6.454 -9.804 -6.875 510 HD12 ILE 58 1HD1 ILE 58 -6.228 -8.052 -6.923 511 HD13 ILE 58 2HD1 ILE 58 -7.590 -8.787 -7.763 512 H GLU 59 H GLU 59 -5.941 -6.166 -6.176 513 HA GLU 59 HA GLU 59 -3.449 -7.115 -6.998 514 HB2 GLU 59 2HB GLU 59 -5.185 -4.846 -7.731 515 HB3 GLU 59 1HB GLU 59 -3.485 -4.640 -8.098 516 HG2 GLU 59 2HG GLU 59 -5.102 -7.011 -8.993 517 HG3 GLU 59 1HG GLU 59 -4.863 -5.554 -9.961 518 H VAL 60 H VAL 60 -4.258 -4.211 -5.185 519 HA VAL 60 HA VAL 60 -1.605 -3.212 -5.101 520 HB VAL 60 HB VAL 60 -3.901 -2.579 -3.222 521 HG11 VAL 60 1HG1 VAL 60 -2.727 -0.462 -2.816 522 HG12 VAL 60 2HG1 VAL 60 -1.390 -1.013 -3.826 523 HG13 VAL 60 3HG1 VAL 60 -1.759 -1.850 -2.318 524 HG21 VAL 60 3HG2 VAL 60 -4.324 -0.649 -4.656 525 HG22 VAL 60 1HG2 VAL 60 -4.525 -2.163 -5.538 526 HG23 VAL 60 2HG2 VAL 60 -3.068 -1.190 -5.770 527 H LYS 61 H LYS 61 -3.571 -4.956 -2.730 528 HA LYS 61 HA LYS 61 -1.594 -5.041 -0.735 529 HB2 LYS 61 2HB LYS 61 -3.823 -6.996 -1.238 530 HB3 LYS 61 1HB LYS 61 -2.858 -6.919 0.230 531 HG2 LYS 61 2HG LYS 61 -3.673 -4.589 0.554 532 HG3 LYS 61 1HG LYS 61 -4.757 -4.837 -0.815 533 HD2 LYS 61 2HD LYS 61 -4.717 -6.466 1.719 534 HD3 LYS 61 1HD LYS 61 -5.878 -5.205 1.333 535 HE2 LYS 61 2HE LYS 61 -6.678 -6.504 -0.569 536 HE3 LYS 61 1HE LYS 61 -5.485 -7.756 -0.226 537 HZ1 LYS 61 3HZ LYS 61 -6.516 -8.031 1.955 538 HZ2 LYS 61 1HZ LYS 61 -7.581 -8.391 0.697 539 HZ3 LYS 61 2HZ LYS 61 -7.717 -6.931 1.532 540 H ASP 62 H ASP 62 -2.327 -7.207 -3.382 541 HA ASP 62 HA ASP 62 -0.612 -9.296 -2.763 542 HB2 ASP 62 2HB ASP 62 -2.292 -9.502 -4.481 543 HB3 ASP 62 1HB ASP 62 -1.530 -8.238 -5.432 544 H LYS 63 H LYS 63 0.038 -6.323 -4.603 545 HA LYS 63 HA LYS 63 2.705 -7.029 -5.299 546 HB2 LYS 63 2HB LYS 63 1.532 -4.261 -4.997 547 HB3 LYS 63 1HB LYS 63 2.983 -4.682 -5.897 548 HG2 LYS 63 2HG LYS 63 1.669 -5.990 -7.443 549 HG3 LYS 63 1HG LYS 63 0.211 -5.650 -6.518 550 HD2 LYS 63 2HD LYS 63 0.681 -3.199 -6.952 551 HD3 LYS 63 1HD LYS 63 1.901 -3.756 -8.104 552 HE2 LYS 63 2HE LYS 63 -1.038 -4.421 -8.171 553 HE3 LYS 63 1HE LYS 63 -0.206 -3.287 -9.230 554 HZ1 LYS 63 3HZ LYS 63 0.985 -5.073 -10.239 555 HZ2 LYS 63 1HZ LYS 63 -0.641 -5.529 -10.168 556 HZ3 LYS 63 2HZ LYS 63 0.457 -6.174 -9.077 557 H LEU 64 H LEU 64 1.292 -5.216 -2.653 558 HA LEU 64 HA LEU 64 3.648 -4.410 -1.341 559 HB2 LEU 64 2HB LEU 64 0.972 -5.128 -0.131 560 HB3 LEU 64 1HB LEU 64 2.215 -4.183 0.650 561 HG LEU 64 HG LEU 64 0.552 -3.377 -1.737 562 HD11 LEU 64 1HD1 LEU 64 0.624 -2.339 1.085 563 HD12 LEU 64 2HD1 LEU 64 -0.661 -3.299 0.351 564 HD13 LEU 64 3HD1 LEU 64 -0.335 -1.668 -0.234 565 HD21 LEU 64 3HD2 LEU 64 1.658 -1.208 -1.613 566 HD22 LEU 64 1HD2 LEU 64 2.834 -2.484 -1.930 567 HD23 LEU 64 2HD2 LEU 64 2.688 -1.793 -0.308 568 H THR 65 H THR 65 1.669 -7.266 -1.138 569 HA THR 65 HA THR 65 2.907 -8.591 0.955 570 HB THR 65 HB THR 65 1.388 -9.678 -1.431 571 HG1 THR 65 1HG THR 65 0.208 -8.273 -0.148 572 HG21 THR 65 3HG2 THR 65 2.640 -11.489 -0.411 573 HG22 THR 65 1HG2 THR 65 0.934 -11.660 -0.023 574 HG23 THR 65 2HG2 THR 65 2.054 -11.034 1.189 575 H ARG 66 H ARG 66 3.508 -8.741 -2.546 576 HA ARG 66 HA ARG 66 5.463 -10.780 -2.439 577 HB2 ARG 66 2HB ARG 66 5.118 -8.681 -4.579 578 HB3 ARG 66 1HB ARG 66 6.024 -10.174 -4.736 579 HG2 ARG 66 2HG ARG 66 3.914 -11.435 -4.439 580 HG3 ARG 66 1HG ARG 66 3.045 -9.901 -4.385 581 HD2 ARG 66 2HD ARG 66 4.086 -9.387 -6.635 582 HD3 ARG 66 1HD ARG 66 4.604 -11.068 -6.685 583 HE ARG 66 HE ARG 66 1.770 -10.498 -6.268 584 HH11 ARG 66 1HH1 ARG 66 4.260 -11.806 -8.456 585 HH12 ARG 66 2HH1 ARG 66 3.141 -12.287 -9.632 586 HH21 ARG 66 1HH2 ARG 66 0.327 -11.098 -7.835 587 HH22 ARG 66 2HH2 ARG 66 0.804 -11.877 -9.301 588 H PHE 67 H PHE 67 5.715 -7.297 -2.055 589 HA PHE 67 HA PHE 67 8.581 -7.456 -2.489 590 HB2 PHE 67 2HB PHE 67 7.387 -5.509 -3.419 591 HB3 PHE 67 1HB PHE 67 6.972 -4.990 -1.790 592 HD1 PHE 67 1HD PHE 67 9.970 -5.899 -3.810 593 HD2 PHE 67 2HD PHE 67 8.397 -3.333 -0.758 594 HE1 PHE 67 1HE PHE 67 12.099 -4.681 -3.692 595 HE2 PHE 67 2HE PHE 67 10.512 -2.164 -0.654 596 HZ PHE 67 HZ PHE 67 12.372 -2.820 -2.112 597 H PHE 68 H PHE 68 6.560 -6.325 0.233 598 HA PHE 68 HA PHE 68 9.018 -6.612 1.828 599 HB2 PHE 68 2HB PHE 68 8.234 -4.750 3.236 600 HB3 PHE 68 1HB PHE 68 8.545 -4.295 1.568 601 HD1 PHE 68 1HD PHE 68 5.878 -5.052 4.008 602 HD2 PHE 68 2HD PHE 68 6.826 -3.361 0.228 603 HE1 PHE 68 1HE PHE 68 3.636 -4.084 3.871 604 HE2 PHE 68 2HE PHE 68 4.607 -2.393 0.092 605 HZ PHE 68 HZ PHE 68 2.993 -2.752 1.921 606 H LEU 69 H LEU 69 5.778 -7.689 1.653 607 HA LEU 69 HA LEU 69 5.573 -8.064 4.487 608 HB2 LEU 69 2HB LEU 69 3.635 -7.776 2.812 609 HB3 LEU 69 1HB LEU 69 3.928 -9.462 2.407 610 HG LEU 69 HG LEU 69 3.460 -10.086 4.740 611 HD11 LEU 69 1HD1 LEU 69 4.050 -8.001 5.848 612 HD12 LEU 69 2HD1 LEU 69 2.375 -8.415 6.217 613 HD13 LEU 69 3HD1 LEU 69 2.734 -7.163 5.033 614 HD21 LEU 69 3HD2 LEU 69 1.027 -9.677 4.635 615 HD22 LEU 69 1HD2 LEU 69 1.691 -10.211 3.086 616 HD23 LEU 69 2HD2 LEU 69 1.310 -8.510 3.342 617 H LEU 70 H LEU 70 6.166 -10.063 1.659 618 HA LEU 70 HA LEU 70 7.042 -12.247 3.315 619 HB2 LEU 70 2HB LEU 70 6.646 -11.939 0.361 620 HB3 LEU 70 1HB LEU 70 7.693 -13.204 0.960 621 HG LEU 70 HG LEU 70 5.818 -14.196 2.181 622 HD11 LEU 70 1HD1 LEU 70 4.175 -12.015 0.933 623 HD12 LEU 70 2HD1 LEU 70 4.527 -12.206 2.648 624 HD13 LEU 70 3HD1 LEU 70 3.536 -13.404 1.814 625 HD21 LEU 70 3HD2 LEU 70 6.290 -14.917 -0.086 626 HD22 LEU 70 1HD2 LEU 70 5.222 -13.664 -0.718 627 HD23 LEU 70 2HD2 LEU 70 4.561 -14.985 0.249 628 H GLU 71 H GLU 71 8.476 -10.907 4.214 629 HA GLU 71 HA GLU 71 10.842 -9.882 3.078 630 HB2 GLU 71 2HB GLU 71 10.507 -11.083 5.849 631 HB3 GLU 71 1HB GLU 71 11.722 -9.912 5.354 632 HG2 GLU 71 2HG GLU 71 10.074 -8.230 5.070 633 HG3 GLU 71 1HG GLU 71 8.775 -9.395 5.266 634 H HIS 72 H HIS 72 10.754 -12.716 5.159 635 HA HIS 72 HA HIS 72 11.860 -14.463 3.159 636 HB2 HIS 72 2HB HIS 72 13.861 -13.346 4.181 637 HB3 HIS 72 1HB HIS 72 13.305 -13.859 5.766 638 HD1 HIS 72 1HD HIS 72 14.824 -15.667 6.538 639 HD2 HIS 72 2HD HIS 72 13.958 -16.014 2.496 640 HE1 HIS 72 1HE HIS 72 15.939 -17.773 5.783 641 HE2 HIS 72 2HE HIS 72 15.640 -17.772 3.301 642 H HIS 73 H HIS 73 9.508 -13.864 4.976 643 HA HIS 73 HA HIS 73 8.874 -16.477 5.753 644 HB2 HIS 73 2HB HIS 73 10.389 -16.013 7.624 645 HB3 HIS 73 1HB HIS 73 9.517 -14.534 7.994 646 HD1 HIS 73 1HD HIS 73 8.190 -14.867 10.060 647 HD2 HIS 73 2HD HIS 73 8.274 -18.325 7.754 648 HE1 HIS 73 1HE HIS 73 6.842 -16.548 11.313 649 HE2 HIS 73 2HE HIS 73 6.992 -18.649 9.982 650 H HIS 74 H HIS 74 6.722 -16.609 5.728 651 HA HIS 74 HA HIS 74 5.082 -14.212 6.236 652 HB2 HIS 74 2HB HIS 74 4.831 -15.227 3.922 653 HB3 HIS 74 1HB HIS 74 4.376 -16.749 4.674 654 HD1 HIS 74 1HD HIS 74 1.904 -17.028 5.294 655 HD2 HIS 74 2HD HIS 74 2.881 -13.125 4.230 656 HE1 HIS 74 1HE HIS 74 -0.255 -15.797 5.189 657 HE2 HIS 74 2HE HIS 74 0.358 -13.419 4.668 658 H HIS 75 H HIS 75 3.475 -14.552 7.925 659 HA HIS 75 HA HIS 75 3.936 -17.120 9.210 660 HB2 HIS 75 2HB HIS 75 3.735 -16.154 11.446 661 HB3 HIS 75 1HB HIS 75 5.066 -15.453 10.551 662 HD1 HIS 75 1HD HIS 75 1.888 -14.620 12.282 663 HD2 HIS 75 2HD HIS 75 4.692 -12.689 9.907 664 HE1 HIS 75 1HE HIS 75 1.549 -12.200 12.696 665 HE2 HIS 75 2HE HIS 75 2.917 -11.113 10.929 666 H HIS 76 H HIS 76 2.406 -17.872 10.709 667 HA HIS 76 HA HIS 76 -0.232 -17.128 10.937 668 HB2 HIS 76 2HB HIS 76 -1.352 -18.818 9.520 669 HB3 HIS 76 1HB HIS 76 -0.334 -17.848 8.468 670 HD1 HIS 76 1HD HIS 76 -1.170 -21.278 9.159 671 HD2 HIS 76 2HD HIS 76 2.266 -19.274 7.982 672 HE1 HIS 76 1HE HIS 76 0.337 -23.027 8.247 673 HE2 HIS 76 2HE HIS 76 2.524 -21.805 8.006 674 H HIS 77 H HIS 77 -1.220 -18.917 12.309 675 HA HIS 77 HA HIS 77 0.953 -20.624 13.267 676 HB2 HIS 77 2HB HIS 77 0.401 -18.839 14.883 677 HB3 HIS 77 1HB HIS 77 -1.263 -19.394 14.936 678 HD1 HIS 77 1HD HIS 77 -1.778 -21.219 16.633 679 HD2 HIS 77 2HD HIS 77 2.297 -20.734 15.964 680 HE1 HIS 77 1HE HIS 77 -0.649 -22.645 18.317 681 HE2 HIS 77 2HE HIS 77 1.808 -22.431 17.830 Start of MODEL 11 1 H1 MET 1 1HT MET 1 5.839 14.420 -16.097 2 H2 MET 1 2HT MET 1 5.963 13.171 -14.978 3 H3 MET 1 3HT MET 1 5.570 14.726 -14.456 4 HA MET 1 HA MET 1 3.500 14.616 -15.649 5 HB2 MET 1 2HB MET 1 4.204 13.037 -17.394 6 HB3 MET 1 1HB MET 1 4.408 11.781 -16.188 7 HG2 MET 1 2HG MET 1 1.973 11.888 -15.739 8 HG3 MET 1 1HG MET 1 1.824 13.046 -17.062 9 HE1 MET 1 2HE MET 1 0.258 10.229 -16.790 10 HE2 MET 1 3HE MET 1 0.314 9.678 -18.466 11 HE3 MET 1 1HE MET 1 -0.020 11.372 -18.103 12 H LEU 2 H LEU 2 3.170 15.093 -13.461 13 HA LEU 2 HA LEU 2 2.787 12.782 -11.715 14 HB2 LEU 2 2HB LEU 2 4.290 14.549 -10.878 15 HB3 LEU 2 1HB LEU 2 3.016 15.731 -11.080 16 HG LEU 2 HG LEU 2 1.694 14.547 -9.346 17 HD11 LEU 2 1HD1 LEU 2 2.617 12.325 -9.573 18 HD12 LEU 2 2HD1 LEU 2 2.808 12.902 -7.919 19 HD13 LEU 2 3HD1 LEU 2 4.189 12.898 -9.014 20 HD21 LEU 2 3HD2 LEU 2 4.454 15.412 -8.496 21 HD22 LEU 2 1HD2 LEU 2 3.044 15.290 -7.447 22 HD23 LEU 2 2HD2 LEU 2 3.066 16.471 -8.755 23 H LYS 3 H LYS 3 0.741 12.151 -11.438 24 HA LYS 3 HA LYS 3 -1.350 13.976 -12.227 25 HB2 LYS 3 2HB LYS 3 -1.367 11.539 -12.927 26 HB3 LYS 3 1HB LYS 3 -1.635 11.112 -11.245 27 HG2 LYS 3 2HG LYS 3 -3.753 12.143 -11.229 28 HG3 LYS 3 1HG LYS 3 -3.463 12.926 -12.781 29 HD2 LYS 3 2HD LYS 3 -3.411 10.684 -13.834 30 HD3 LYS 3 1HD LYS 3 -3.815 9.975 -12.268 31 HE2 LYS 3 2HE LYS 3 -5.816 10.233 -13.643 32 HE3 LYS 3 1HE LYS 3 -5.889 11.256 -12.216 33 HZ1 LYS 3 3HZ LYS 3 -6.648 12.441 -14.166 34 HZ2 LYS 3 1HZ LYS 3 -5.182 12.173 -14.959 35 HZ3 LYS 3 2HZ LYS 3 -5.253 13.147 -13.582 36 H HIS 4 H HIS 4 -3.354 13.960 -10.589 37 HA HIS 4 HA HIS 4 -2.185 15.194 -8.280 38 HB2 HIS 4 2HB HIS 4 -4.330 15.857 -9.727 39 HB3 HIS 4 1HB HIS 4 -5.136 14.849 -8.530 40 HD1 HIS 4 1HD HIS 4 -6.134 17.515 -8.234 41 HD2 HIS 4 2HD HIS 4 -2.410 16.543 -6.664 42 HE1 HIS 4 1HE HIS 4 -5.608 19.303 -6.560 43 HE2 HIS 4 2HE HIS 4 -3.331 18.693 -5.645 44 H GLY 5 H GLY 5 -1.512 13.946 -6.647 45 HA2 GLY 5 2HA GLY 5 -3.425 12.117 -5.506 46 HA3 GLY 5 1HA GLY 5 -1.944 11.405 -6.123 47 H LYS 6 H LYS 6 -2.758 11.267 -3.505 48 HA LYS 6 HA LYS 6 -0.983 13.113 -2.043 49 HB2 LYS 6 2HB LYS 6 -3.188 11.280 -1.070 50 HB3 LYS 6 1HB LYS 6 -2.053 12.044 0.011 51 HG2 LYS 6 2HG LYS 6 -4.098 13.246 0.093 52 HG3 LYS 6 1HG LYS 6 -2.929 14.257 -0.745 53 HD2 LYS 6 2HD LYS 6 -3.965 13.793 -2.853 54 HD3 LYS 6 1HD LYS 6 -4.980 12.537 -2.142 55 HE2 LYS 6 2HE LYS 6 -6.250 14.615 -2.498 56 HE3 LYS 6 1HE LYS 6 -6.146 14.203 -0.795 57 HZ1 LYS 6 3HZ LYS 6 -4.414 15.864 -0.519 58 HZ2 LYS 6 1HZ LYS 6 -5.765 16.581 -1.221 59 HZ3 LYS 6 2HZ LYS 6 -4.442 16.215 -2.169 60 H TYR 7 H TYR 7 0.607 12.280 -0.669 61 HA TYR 7 HA TYR 7 1.309 9.471 -1.061 62 HB2 TYR 7 2HB TYR 7 2.843 11.791 0.140 63 HB3 TYR 7 1HB TYR 7 3.395 10.127 0.235 64 HD1 TYR 7 2HD TYR 7 4.121 8.951 -1.772 65 HD2 TYR 7 1HD TYR 7 3.017 13.053 -1.886 66 HE1 TYR 7 2HE TYR 7 5.262 9.179 -3.928 67 HE2 TYR 7 1HE TYR 7 4.146 13.309 -4.053 68 HH TYR 7 HH TYR 7 5.984 12.171 -5.312 69 H VAL 8 H VAL 8 0.528 8.125 0.380 70 HA VAL 8 HA VAL 8 0.144 9.115 3.102 71 HB VAL 8 HB VAL 8 -1.878 7.792 3.352 72 HG11 VAL 8 1HG1 VAL 8 -2.189 10.062 2.568 73 HG12 VAL 8 2HG1 VAL 8 -3.426 9.000 1.901 74 HG13 VAL 8 3HG1 VAL 8 -2.075 9.519 0.895 75 HG21 VAL 8 3HG2 VAL 8 -1.509 7.006 0.465 76 HG22 VAL 8 1HG2 VAL 8 -2.945 6.659 1.432 77 HG23 VAL 8 2HG2 VAL 8 -1.392 5.948 1.870 78 H TYR 9 H TYR 9 -0.328 7.027 4.497 79 HA TYR 9 HA TYR 9 1.704 5.060 3.766 80 HB2 TYR 9 2HB TYR 9 1.079 6.224 6.488 81 HB3 TYR 9 1HB TYR 9 2.112 4.818 6.238 82 HD1 TYR 9 1HD TYR 9 4.298 5.094 5.167 83 HD2 TYR 9 2HD TYR 9 1.829 8.447 6.033 84 HE1 TYR 9 1HE TYR 9 6.215 6.584 4.831 85 HE2 TYR 9 2HE TYR 9 3.743 9.948 5.691 86 HH TYR 9 HH TYR 9 6.170 9.837 5.747 87 H ILE 10 H ILE 10 1.056 3.035 3.860 88 HA ILE 10 HA ILE 10 -1.711 2.576 4.613 89 HB ILE 10 HB ILE 10 0.275 0.630 3.407 90 HG12 ILE 10 2HG1 ILE 10 -0.180 2.381 1.819 91 HG13 ILE 10 1HG1 ILE 10 -1.039 0.934 1.311 92 HG21 ILE 10 1HG2 ILE 10 -2.698 0.339 3.774 93 HG22 ILE 10 2HG2 ILE 10 -1.443 -0.549 4.635 94 HG23 ILE 10 3HG2 ILE 10 -1.659 -0.787 2.899 95 HD11 ILE 10 3HD1 ILE 10 -2.215 3.366 2.652 96 HD12 ILE 10 1HD1 ILE 10 -3.090 1.875 2.310 97 HD13 ILE 10 2HD1 ILE 10 -2.448 2.841 0.985 98 H ASP 11 H ASP 11 -2.327 1.658 6.356 99 HA ASP 11 HA ASP 11 -0.456 1.315 8.471 100 HB2 ASP 11 2HB ASP 11 -2.624 2.335 8.953 101 HB3 ASP 11 1HB ASP 11 -3.461 0.900 8.404 102 H LEU 12 H LEU 12 0.806 -0.299 7.739 103 HA LEU 12 HA LEU 12 -0.106 -3.000 7.462 104 HB2 LEU 12 2HB LEU 12 2.622 -2.029 8.327 105 HB3 LEU 12 1HB LEU 12 2.241 -3.588 7.636 106 HG LEU 12 HG LEU 12 2.169 -0.949 6.179 107 HD11 LEU 12 1HD1 LEU 12 4.435 -1.644 6.724 108 HD12 LEU 12 2HD1 LEU 12 4.134 -1.838 4.997 109 HD13 LEU 12 3HD1 LEU 12 4.120 -3.243 6.061 110 HD21 LEU 12 3HD2 LEU 12 1.868 -2.325 4.167 111 HD22 LEU 12 1HD2 LEU 12 0.525 -2.519 5.293 112 HD23 LEU 12 2HD2 LEU 12 1.762 -3.768 5.175 113 H ASN 13 H ASN 13 1.161 -0.891 9.865 114 HA ASN 13 HA ASN 13 0.827 -0.609 12.091 115 HB2 ASN 13 2HB ASN 13 -1.469 -1.659 11.509 116 HB3 ASN 13 1HB ASN 13 -0.821 -3.131 12.218 117 HD21 ASN 13 1HD2 ASN 13 -1.969 0.035 12.756 118 HD22 ASN 13 2HD2 ASN 13 -2.090 -0.052 14.482 119 H ASN 14 H ASN 14 2.373 -3.125 10.735 120 HA ASN 14 HA ASN 14 3.037 -4.695 13.069 121 HB2 ASN 14 2HB ASN 14 4.275 -6.097 11.515 122 HB3 ASN 14 1HB ASN 14 2.684 -5.733 10.854 123 HD21 ASN 14 1HD2 ASN 14 5.061 -6.563 9.461 124 HD22 ASN 14 2HD2 ASN 14 5.395 -5.310 8.309 125 H GLY 15 H GLY 15 3.962 -1.828 12.647 126 HA2 GLY 15 2HA GLY 15 5.939 -0.958 13.882 127 HA3 GLY 15 1HA GLY 15 6.765 -2.411 13.351 128 H LYS 16 H LYS 16 5.394 -1.778 10.629 129 HA LYS 16 HA LYS 16 6.953 0.516 9.902 130 HB2 LYS 16 2HB LYS 16 7.776 -0.732 7.838 131 HB3 LYS 16 1HB LYS 16 8.542 -1.155 9.355 132 HG2 LYS 16 2HG LYS 16 7.058 -3.161 9.449 133 HG3 LYS 16 1HG LYS 16 6.493 -2.746 7.826 134 HD2 LYS 16 2HD LYS 16 8.742 -2.924 6.950 135 HD3 LYS 16 1HD LYS 16 9.386 -3.200 8.564 136 HE2 LYS 16 2HE LYS 16 8.064 -5.279 8.698 137 HE3 LYS 16 1HE LYS 16 7.508 -5.013 7.051 138 HZ1 LYS 16 3HZ LYS 16 10.372 -5.258 7.779 139 HZ2 LYS 16 1HZ LYS 16 9.737 -5.253 6.239 140 HZ3 LYS 16 2HZ LYS 16 9.469 -6.568 7.272 141 H TYR 17 H TYR 17 6.295 1.365 7.821 142 HA TYR 17 HA TYR 17 3.558 0.588 7.096 143 HB2 TYR 17 2HB TYR 17 4.539 3.341 7.853 144 HB3 TYR 17 1HB TYR 17 3.168 3.127 6.779 145 HD1 TYR 17 2HD TYR 17 4.229 1.595 10.041 146 HD2 TYR 17 1HD TYR 17 1.161 3.531 7.836 147 HE1 TYR 17 2HE TYR 17 2.724 1.422 11.974 148 HE2 TYR 17 1HE TYR 17 -0.333 3.362 9.777 149 HH TYR 17 HH TYR 17 -0.568 1.960 11.739 150 H VAL 18 H VAL 18 3.030 1.010 4.946 151 HA VAL 18 HA VAL 18 5.402 1.448 3.319 152 HB VAL 18 HB VAL 18 4.342 -0.698 2.846 153 HG11 VAL 18 1HG1 VAL 18 1.860 0.856 2.231 154 HG12 VAL 18 2HG1 VAL 18 2.115 -0.211 3.622 155 HG13 VAL 18 3HG1 VAL 18 2.068 -0.880 1.989 156 HG21 VAL 18 3HG2 VAL 18 3.883 -0.491 0.450 157 HG22 VAL 18 1HG2 VAL 18 5.310 0.424 0.933 158 HG23 VAL 18 2HG2 VAL 18 3.787 1.261 0.629 159 H LYS 19 H LYS 19 5.554 3.025 1.883 160 HA LYS 19 HA LYS 19 3.596 5.155 2.196 161 HB2 LYS 19 2HB LYS 19 6.008 5.516 2.730 162 HB3 LYS 19 1HB LYS 19 6.382 5.206 1.046 163 HG2 LYS 19 2HG LYS 19 5.236 7.177 0.354 164 HG3 LYS 19 1HG LYS 19 4.598 7.442 1.986 165 HD2 LYS 19 2HD LYS 19 6.917 7.635 2.812 166 HD3 LYS 19 1HD LYS 19 7.490 7.487 1.153 167 HE2 LYS 19 2HE LYS 19 6.364 9.537 0.554 168 HE3 LYS 19 1HE LYS 19 5.658 9.648 2.168 169 HZ1 LYS 19 3HZ LYS 19 7.605 11.059 1.926 170 HZ2 LYS 19 1HZ LYS 19 8.555 9.720 1.555 171 HZ3 LYS 19 2HZ LYS 19 7.874 9.856 3.092 172 H VAL 20 H VAL 20 2.255 5.545 0.601 173 HA VAL 20 HA VAL 20 2.922 4.571 -2.068 174 HB VAL 20 HB VAL 20 1.549 2.886 -0.865 175 HG11 VAL 20 1HG1 VAL 20 -0.791 3.328 -0.358 176 HG12 VAL 20 2HG1 VAL 20 -0.529 5.033 -0.732 177 HG13 VAL 20 3HG1 VAL 20 0.322 4.284 0.619 178 HG21 VAL 20 3HG2 VAL 20 0.127 4.221 -3.171 179 HG22 VAL 20 1HG2 VAL 20 -0.227 2.600 -2.564 180 HG23 VAL 20 2HG2 VAL 20 1.350 2.946 -3.262 181 H ARG 21 H ARG 21 1.981 5.733 -3.714 182 HA ARG 21 HA ARG 21 0.818 8.285 -2.936 183 HB2 ARG 21 2HB ARG 21 2.843 8.404 -4.352 184 HB3 ARG 21 1HB ARG 21 2.040 7.445 -5.584 185 HG2 ARG 21 2HG ARG 21 0.450 9.205 -5.993 186 HG3 ARG 21 1HG ARG 21 1.079 10.138 -4.639 187 HD2 ARG 21 2HD ARG 21 1.926 11.026 -6.731 188 HD3 ARG 21 1HD ARG 21 3.240 10.337 -5.785 189 HE ARG 21 HE ARG 21 2.045 8.638 -7.813 190 HH11 ARG 21 1HH1 ARG 21 4.833 10.679 -6.850 191 HH12 ARG 21 2HH1 ARG 21 5.744 10.276 -8.211 192 HH21 ARG 21 1HH2 ARG 21 3.434 8.071 -9.712 193 HH22 ARG 21 2HH2 ARG 21 4.953 8.815 -9.817 194 H ILE 22 H ILE 22 -1.242 8.454 -3.087 195 HA ILE 22 HA ILE 22 -2.844 6.519 -4.593 196 HB ILE 22 HB ILE 22 -3.777 8.720 -2.739 197 HG12 ILE 22 2HG1 ILE 22 -2.314 7.264 -1.455 198 HG13 ILE 22 1HG1 ILE 22 -3.980 7.037 -0.952 199 HG21 ILE 22 1HG2 ILE 22 -5.177 6.225 -3.692 200 HG22 ILE 22 2HG2 ILE 22 -5.505 7.883 -4.200 201 HG23 ILE 22 3HG2 ILE 22 -5.826 7.391 -2.536 202 HD11 ILE 22 3HD1 ILE 22 -2.367 5.217 -2.720 203 HD12 ILE 22 1HD1 ILE 22 -4.067 4.994 -2.305 204 HD13 ILE 22 2HD1 ILE 22 -2.839 4.927 -1.042 205 H LEU 23 H LEU 23 -2.942 7.242 -6.696 206 HA LEU 23 HA LEU 23 -3.102 10.078 -7.242 207 HB2 LEU 23 2HB LEU 23 -3.320 7.692 -9.084 208 HB3 LEU 23 1HB LEU 23 -3.178 9.362 -9.598 209 HG LEU 23 HG LEU 23 -1.050 7.810 -8.117 210 HD11 LEU 23 1HD1 LEU 23 -1.357 6.988 -10.382 211 HD12 LEU 23 2HD1 LEU 23 0.166 7.864 -10.226 212 HD13 LEU 23 3HD1 LEU 23 -1.220 8.634 -11.000 213 HD21 LEU 23 3HD2 LEU 23 0.387 9.725 -8.669 214 HD22 LEU 23 1HD2 LEU 23 -0.948 10.190 -7.620 215 HD23 LEU 23 2HD2 LEU 23 -1.008 10.575 -9.336 216 H LYS 24 H LYS 24 -4.956 11.045 -6.971 217 HA LYS 24 HA LYS 24 -7.410 9.451 -7.126 218 HB2 LYS 24 2HB LYS 24 -6.774 10.584 -4.969 219 HB3 LYS 24 1HB LYS 24 -6.932 12.126 -5.792 220 HG2 LYS 24 2HG LYS 24 -9.333 11.503 -6.252 221 HG3 LYS 24 1HG LYS 24 -9.098 10.132 -5.167 222 HD2 LYS 24 2HD LYS 24 -8.758 13.048 -4.453 223 HD3 LYS 24 1HD LYS 24 -10.105 12.021 -3.988 224 HE2 LYS 24 2HE LYS 24 -7.230 11.545 -3.171 225 HE3 LYS 24 1HE LYS 24 -8.401 12.411 -2.196 226 HZ1 LYS 24 3HZ LYS 24 -8.174 10.136 -1.486 227 HZ2 LYS 24 1HZ LYS 24 -8.631 9.510 -2.971 228 HZ3 LYS 24 2HZ LYS 24 -9.723 10.386 -2.044 229 H SER 25 H SER 25 -8.154 9.681 -9.129 230 HA SER 25 HA SER 25 -7.650 12.048 -10.654 231 HB2 SER 25 2HB SER 25 -9.508 9.813 -11.398 232 HB3 SER 25 1HB SER 25 -8.651 10.910 -12.473 233 HG SER 25 HG SER 25 -7.553 8.838 -10.874 234 H ARG 26 H ARG 26 -8.696 13.584 -9.344 235 HA ARG 26 HA ARG 26 -11.564 13.604 -9.062 236 HB2 ARG 26 2HB ARG 26 -9.472 15.750 -8.648 237 HB3 ARG 26 1HB ARG 26 -11.184 16.012 -8.363 238 HG2 ARG 26 2HG ARG 26 -9.544 13.906 -6.965 239 HG3 ARG 26 1HG ARG 26 -9.872 15.511 -6.310 240 HD2 ARG 26 2HD ARG 26 -11.983 13.468 -7.055 241 HD3 ARG 26 1HD ARG 26 -11.420 13.800 -5.420 242 HE ARG 26 HE ARG 26 -12.173 16.215 -6.430 243 HH11 ARG 26 1HH1 ARG 26 -13.862 13.156 -5.852 244 HH12 ARG 26 2HH1 ARG 26 -15.366 13.878 -5.558 245 HH21 ARG 26 1HH2 ARG 26 -14.237 17.215 -5.990 246 HH22 ARG 26 2HH2 ARG 26 -15.576 16.239 -5.610 247 H ASP 27 H ASP 27 -9.285 14.469 -11.397 248 HA ASP 27 HA ASP 27 -10.686 16.291 -13.012 249 HB2 ASP 27 2HB ASP 27 -9.139 15.410 -14.814 250 HB3 ASP 27 1HB ASP 27 -8.325 15.962 -13.356 251 H ASP 28 H ASP 28 -10.839 12.909 -12.564 252 HA ASP 28 HA ASP 28 -12.708 12.526 -14.782 253 HB2 ASP 28 2HB ASP 28 -10.988 10.797 -14.389 254 HB3 ASP 28 1HB ASP 28 -11.599 10.558 -12.755 255 H ASN 29 H ASN 29 -12.520 11.769 -11.342 256 HA ASN 29 HA ASN 29 -14.874 12.938 -10.453 257 HB2 ASN 29 2HB ASN 29 -16.090 11.254 -11.804 258 HB3 ASN 29 1HB ASN 29 -15.150 9.962 -11.077 259 HD21 ASN 29 1HD2 ASN 29 -16.612 12.745 -9.413 260 HD22 ASN 29 2HD2 ASN 29 -17.691 11.801 -8.465 261 H SER 30 H SER 30 -13.724 9.663 -9.962 262 HA SER 30 HA SER 30 -11.867 10.310 -7.952 263 HB2 SER 30 2HB SER 30 -14.431 8.934 -7.052 264 HB3 SER 30 1HB SER 30 -12.954 8.991 -6.097 265 HG SER 30 HG SER 30 -14.014 11.370 -7.075 266 H VAL 31 H VAL 31 -10.904 9.217 -9.827 267 HA VAL 31 HA VAL 31 -11.097 6.301 -9.575 268 HB VAL 31 HB VAL 31 -9.631 7.936 -11.698 269 HG11 VAL 31 1HG1 VAL 31 -10.087 4.978 -11.508 270 HG12 VAL 31 2HG1 VAL 31 -8.551 5.807 -11.278 271 HG13 VAL 31 3HG1 VAL 31 -9.339 5.822 -12.862 272 HG21 VAL 31 3HG2 VAL 31 -12.052 8.107 -11.933 273 HG22 VAL 31 1HG2 VAL 31 -12.184 6.351 -11.891 274 HG23 VAL 31 2HG2 VAL 31 -11.358 7.139 -13.233 275 H GLU 32 H GLU 32 -9.836 5.650 -7.990 276 HA GLU 32 HA GLU 32 -7.388 7.122 -7.550 277 HB2 GLU 32 2HB GLU 32 -8.765 5.096 -5.793 278 HB3 GLU 32 1HB GLU 32 -7.321 6.014 -5.369 279 HG2 GLU 32 2HG GLU 32 -8.587 8.095 -5.629 280 HG3 GLU 32 1HG GLU 32 -10.038 7.154 -5.961 281 H LYS 33 H LYS 33 -5.802 6.476 -8.587 282 HA LYS 33 HA LYS 33 -5.433 3.641 -9.207 283 HB2 LYS 33 2HB LYS 33 -3.991 6.051 -10.315 284 HB3 LYS 33 1HB LYS 33 -3.782 4.394 -10.853 285 HG2 LYS 33 2HG LYS 33 -6.148 4.392 -11.602 286 HG3 LYS 33 1HG LYS 33 -6.250 6.095 -11.153 287 HD2 LYS 33 2HD LYS 33 -4.379 4.907 -13.209 288 HD3 LYS 33 1HD LYS 33 -5.839 5.829 -13.547 289 HE2 LYS 33 2HE LYS 33 -4.857 7.802 -12.484 290 HE3 LYS 33 1HE LYS 33 -3.414 6.879 -12.076 291 HZ1 LYS 33 3HZ LYS 33 -3.053 6.528 -14.457 292 HZ2 LYS 33 1HZ LYS 33 -3.002 8.161 -14.062 293 HZ3 LYS 33 2HZ LYS 33 -4.359 7.496 -14.819 294 H TYR 34 H TYR 34 -3.787 2.596 -8.304 295 HA TYR 34 HA TYR 34 -2.333 4.081 -6.294 296 HB2 TYR 34 2HB TYR 34 -2.738 1.100 -6.642 297 HB3 TYR 34 1HB TYR 34 -1.887 1.861 -5.294 298 HD1 TYR 34 2HD TYR 34 -5.200 1.300 -6.823 299 HD2 TYR 34 1HD TYR 34 -3.108 3.037 -3.556 300 HE1 TYR 34 2HE TYR 34 -7.336 1.632 -5.637 301 HE2 TYR 34 1HE TYR 34 -5.251 3.365 -2.369 302 HH TYR 34 HH TYR 34 -8.146 1.934 -3.320 303 H VAL 35 H VAL 35 -0.179 4.202 -6.223 304 HA VAL 35 HA VAL 35 1.247 4.049 -8.654 305 HB VAL 35 HB VAL 35 1.633 5.639 -6.734 306 HG11 VAL 35 1HG1 VAL 35 3.202 5.000 -4.972 307 HG12 VAL 35 2HG1 VAL 35 3.060 3.321 -5.502 308 HG13 VAL 35 3HG1 VAL 35 1.642 4.181 -4.895 309 HG21 VAL 35 3HG2 VAL 35 3.218 5.561 -8.564 310 HG22 VAL 35 1HG2 VAL 35 4.075 4.234 -7.779 311 HG23 VAL 35 2HG2 VAL 35 4.059 5.833 -7.037 312 H LEU 36 H LEU 36 3.252 2.772 -9.083 313 HA LEU 36 HA LEU 36 2.658 0.018 -8.595 314 HB2 LEU 36 2HB LEU 36 3.323 0.869 -10.812 315 HB3 LEU 36 1HB LEU 36 4.902 1.265 -10.176 316 HG LEU 36 HG LEU 36 5.291 -1.154 -9.742 317 HD11 LEU 36 1HD1 LEU 36 3.003 -1.913 -9.549 318 HD12 LEU 36 2HD1 LEU 36 3.837 -2.799 -10.823 319 HD13 LEU 36 3HD1 LEU 36 2.706 -1.515 -11.239 320 HD21 LEU 36 3HD2 LEU 36 6.150 -0.106 -11.761 321 HD22 LEU 36 1HD2 LEU 36 4.624 -0.422 -12.588 322 HD23 LEU 36 2HD2 LEU 36 5.649 -1.766 -12.086 323 H THR 37 H THR 37 4.509 2.229 -6.903 324 HA THR 37 HA THR 37 6.533 0.274 -6.213 325 HB THR 37 HB THR 37 7.364 2.528 -6.615 326 HG1 THR 37 1HG THR 37 8.605 1.565 -5.123 327 HG21 THR 37 3HG2 THR 37 5.396 3.845 -6.040 328 HG22 THR 37 1HG2 THR 37 6.769 4.422 -5.108 329 HG23 THR 37 2HG2 THR 37 5.549 3.401 -4.349 330 H SER 38 H SER 38 6.991 -0.296 -4.026 331 HA SER 38 HA SER 38 4.747 -0.100 -2.144 332 HB2 SER 38 2HB SER 38 6.467 -2.543 -2.660 333 HB3 SER 38 1HB SER 38 5.117 -2.430 -1.533 334 HG SER 38 HG SER 38 5.158 -2.905 -4.168 335 H HIS 39 H HIS 39 7.352 1.351 -2.442 336 HA HIS 39 HA HIS 39 9.253 0.470 -0.597 337 HB2 HIS 39 2HB HIS 39 10.193 2.738 -0.511 338 HB3 HIS 39 1HB HIS 39 9.816 2.270 -2.157 339 HD1 HIS 39 1HD HIS 39 9.704 5.055 -0.041 340 HD2 HIS 39 2HD HIS 39 7.084 3.495 -2.836 341 HE1 HIS 39 1HE HIS 39 8.309 7.000 -0.811 342 HE2 HIS 39 2HE HIS 39 7.104 6.050 -2.794 343 H VAL 40 H VAL 40 9.473 0.353 1.459 344 HA VAL 40 HA VAL 40 7.250 1.147 3.163 345 HB VAL 40 HB VAL 40 9.533 -0.587 3.850 346 HG11 VAL 40 1HG1 VAL 40 7.942 -1.699 5.403 347 HG12 VAL 40 2HG1 VAL 40 6.732 -0.506 4.936 348 HG13 VAL 40 3HG1 VAL 40 8.210 0.012 5.745 349 HG21 VAL 40 3HG2 VAL 40 8.668 -1.576 1.838 350 HG22 VAL 40 1HG2 VAL 40 7.022 -1.516 2.473 351 HG23 VAL 40 2HG2 VAL 40 8.213 -2.590 3.207 352 H SER 41 H SER 41 7.628 2.096 5.158 353 HA SER 41 HA SER 41 10.212 3.412 5.582 354 HB2 SER 41 2HB SER 41 8.251 4.975 5.183 355 HB3 SER 41 1HB SER 41 7.451 4.255 6.574 356 HG SER 41 HG SER 41 9.733 5.871 6.448 357 H LYS 42 H LYS 42 10.973 3.224 7.805 358 HA LYS 42 HA LYS 42 10.081 0.682 8.961 359 HB2 LYS 42 2HB LYS 42 12.402 2.335 9.910 360 HB3 LYS 42 1HB LYS 42 12.155 0.602 10.046 361 HG2 LYS 42 2HG LYS 42 12.383 0.455 7.562 362 HG3 LYS 42 1HG LYS 42 12.789 2.168 7.583 363 HD2 LYS 42 2HD LYS 42 14.836 0.856 7.499 364 HD3 LYS 42 1HD LYS 42 14.711 1.687 9.048 365 HE2 LYS 42 2HE LYS 42 15.497 -0.607 9.323 366 HE3 LYS 42 1HE LYS 42 13.943 -0.384 10.111 367 HZ1 LYS 42 3HZ LYS 42 12.876 -1.450 8.203 368 HZ2 LYS 42 1HZ LYS 42 14.020 -2.463 8.871 369 HZ3 LYS 42 2HZ LYS 42 14.359 -1.663 7.446 370 H ASN 43 H ASN 43 8.843 3.425 9.220 371 HA ASN 43 HA ASN 43 8.937 3.763 12.140 372 HB2 ASN 43 2HB ASN 43 8.368 5.732 9.927 373 HB3 ASN 43 1HB ASN 43 8.173 6.081 11.638 374 HD21 ASN 43 1HD2 ASN 43 9.995 6.947 9.354 375 HD22 ASN 43 2HD2 ASN 43 11.558 6.976 10.078 376 H ARG 44 H ARG 44 6.940 4.309 13.130 377 HA ARG 44 HA ARG 44 4.543 3.556 11.602 378 HB2 ARG 44 2HB ARG 44 4.940 3.798 14.600 379 HB3 ARG 44 1HB ARG 44 3.406 3.498 13.829 380 HG2 ARG 44 2HG ARG 44 4.336 1.312 13.016 381 HG3 ARG 44 1HG ARG 44 5.786 1.664 13.959 382 HD2 ARG 44 2HD ARG 44 4.561 1.783 15.988 383 HD3 ARG 44 1HD ARG 44 3.028 1.705 15.146 384 HE ARG 44 HE ARG 44 4.597 -0.620 14.706 385 HH11 ARG 44 1HH1 ARG 44 2.501 0.973 17.029 386 HH12 ARG 44 2HH1 ARG 44 2.035 -0.441 17.845 387 HH21 ARG 44 1HH2 ARG 44 3.911 -2.663 15.808 388 HH22 ARG 44 2HH2 ARG 44 2.834 -2.523 17.114 389 HA PRO 45 HA PRO 45 4.323 8.126 11.927 390 HB2 PRO 45 2HB PRO 45 2.597 7.899 9.560 391 HB3 PRO 45 1HB PRO 45 4.105 8.796 9.748 392 HG2 PRO 45 2HG PRO 45 3.951 6.589 8.218 393 HG3 PRO 45 1HG PRO 45 5.410 6.995 9.142 394 HD2 PRO 45 2HD PRO 45 3.236 5.043 9.813 395 HD3 PRO 45 1HD PRO 45 4.998 4.856 9.944 396 H LYS 46 H LYS 46 2.860 8.970 13.209 397 HA LYS 46 HA LYS 46 0.236 7.710 13.409 398 HB2 LYS 46 2HB LYS 46 1.570 8.017 15.468 399 HB3 LYS 46 1HB LYS 46 1.531 9.758 15.212 400 HG2 LYS 46 2HG LYS 46 -0.909 9.724 15.411 401 HG3 LYS 46 1HG LYS 46 -0.858 7.992 15.701 402 HD2 LYS 46 2HD LYS 46 0.490 10.044 17.458 403 HD3 LYS 46 1HD LYS 46 -1.129 9.433 17.745 404 HE2 LYS 46 2HE LYS 46 0.317 8.217 19.201 405 HE3 LYS 46 1HE LYS 46 -0.107 7.116 17.903 406 HZ1 LYS 46 3HZ LYS 46 2.045 7.398 16.939 407 HZ2 LYS 46 1HZ LYS 46 2.241 7.051 18.560 408 HZ3 LYS 46 2HZ LYS 46 2.441 8.640 18.009 409 H ASN 47 H ASN 47 1.777 10.881 13.010 410 HA ASN 47 HA ASN 47 -0.825 11.892 12.230 411 HB2 ASN 47 2HB ASN 47 1.673 13.412 12.985 412 HB3 ASN 47 1HB ASN 47 0.260 14.185 12.278 413 HD21 ASN 47 1HD2 ASN 47 -1.665 14.285 13.483 414 HD22 ASN 47 2HD2 ASN 47 -1.665 14.047 15.186 415 H ALA 48 H ALA 48 -0.818 10.712 10.395 416 HA ALA 48 HA ALA 48 -0.207 12.244 8.109 417 HB1 ALA 48 1HB ALA 48 1.005 10.383 6.957 418 HB2 ALA 48 2HB ALA 48 1.108 9.529 8.498 419 HB3 ALA 48 3HB ALA 48 1.949 11.066 8.281 420 H ILE 49 H ILE 49 -1.322 11.008 6.264 421 HA ILE 49 HA ILE 49 -3.667 9.816 7.439 422 HB ILE 49 HB ILE 49 -3.039 10.341 4.519 423 HG12 ILE 49 2HG1 ILE 49 -3.255 12.425 5.808 424 HG13 ILE 49 1HG1 ILE 49 -4.610 12.232 4.708 425 HG21 ILE 49 1HG2 ILE 49 -5.450 9.932 4.129 426 HG22 ILE 49 2HG2 ILE 49 -5.619 9.507 5.840 427 HG23 ILE 49 3HG2 ILE 49 -4.625 8.513 4.790 428 HD11 ILE 49 3HD1 ILE 49 -5.353 13.098 6.847 429 HD12 ILE 49 1HD1 ILE 49 -4.632 11.722 7.685 430 HD13 ILE 49 2HD1 ILE 49 -5.998 11.475 6.598 431 H VAL 50 H VAL 50 -3.774 7.829 7.859 432 HA VAL 50 HA VAL 50 -2.220 5.953 6.265 433 HB VAL 50 HB VAL 50 -2.165 4.425 8.209 434 HG11 VAL 50 1HG1 VAL 50 -1.068 7.174 8.739 435 HG12 VAL 50 2HG1 VAL 50 -0.273 5.859 7.868 436 HG13 VAL 50 3HG1 VAL 50 -0.577 5.712 9.595 437 HG21 VAL 50 3HG2 VAL 50 -2.768 5.218 10.443 438 HG22 VAL 50 1HG2 VAL 50 -4.177 5.187 9.382 439 HG23 VAL 50 2HG2 VAL 50 -3.376 6.719 9.752 440 H ILE 51 H ILE 51 -3.200 4.369 5.312 441 HA ILE 51 HA ILE 51 -6.100 4.048 5.740 442 HB ILE 51 HB ILE 51 -4.488 3.391 3.234 443 HG12 ILE 51 2HG1 ILE 51 -6.355 5.728 3.749 444 HG13 ILE 51 1HG1 ILE 51 -4.605 5.829 3.642 445 HG21 ILE 51 1HG2 ILE 51 -7.479 3.456 3.691 446 HG22 ILE 51 2HG2 ILE 51 -6.496 2.005 3.516 447 HG23 ILE 51 3HG2 ILE 51 -6.674 3.112 2.158 448 HD11 ILE 51 3HD1 ILE 51 -6.467 5.020 1.419 449 HD12 ILE 51 1HD1 ILE 51 -4.711 5.128 1.299 450 HD13 ILE 51 2HD1 ILE 51 -5.664 6.584 1.589 451 H LYS 52 H LYS 52 -6.784 2.008 6.289 452 HA LYS 52 HA LYS 52 -4.769 0.171 7.214 453 HB2 LYS 52 2HB LYS 52 -6.957 0.716 8.373 454 HB3 LYS 52 1HB LYS 52 -7.762 -0.187 7.106 455 HG2 LYS 52 2HG LYS 52 -6.662 -2.225 7.806 456 HG3 LYS 52 1HG LYS 52 -5.720 -1.325 8.999 457 HD2 LYS 52 2HD LYS 52 -7.833 -0.644 10.103 458 HD3 LYS 52 1HD LYS 52 -8.714 -1.648 8.957 459 HE2 LYS 52 2HE LYS 52 -8.407 -2.781 11.093 460 HE3 LYS 52 1HE LYS 52 -7.583 -3.630 9.790 461 HZ1 LYS 52 3HZ LYS 52 -6.258 -1.806 11.739 462 HZ2 LYS 52 1HZ LYS 52 -5.497 -2.713 10.533 463 HZ3 LYS 52 2HZ LYS 52 -6.258 -3.496 11.805 464 H MET 53 H MET 53 -4.271 -1.839 6.414 465 HA MET 53 HA MET 53 -4.077 -2.179 3.681 466 HB2 MET 53 2HB MET 53 -4.022 -4.332 5.777 467 HB3 MET 53 1HB MET 53 -3.577 -4.589 4.102 468 HG2 MET 53 2HG MET 53 -1.790 -2.889 4.385 469 HG3 MET 53 1HG MET 53 -2.200 -2.814 6.098 470 HE1 MET 53 3HE MET 53 -2.918 -5.937 6.643 471 HE2 MET 53 1HE MET 53 -1.982 -4.927 7.750 472 HE3 MET 53 2HE MET 53 -1.353 -6.492 7.235 473 H ASP 54 H ASP 54 -6.603 -3.282 5.750 474 HA ASP 54 HA ASP 54 -7.769 -5.226 4.100 475 HB2 ASP 54 2HB ASP 54 -8.241 -4.995 6.506 476 HB3 ASP 54 1HB ASP 54 -9.116 -3.506 6.183 477 H ASN 55 H ASN 55 -7.929 -1.797 3.976 478 HA ASN 55 HA ASN 55 -10.372 -1.684 2.427 479 HB2 ASN 55 2HB ASN 55 -9.904 0.060 4.076 480 HB3 ASN 55 1HB ASN 55 -8.404 0.463 3.257 481 HD21 ASN 55 1HD2 ASN 55 -8.471 1.770 1.449 482 HD22 ASN 55 2HD2 ASN 55 -9.908 2.544 0.904 483 H LEU 56 H LEU 56 -7.092 -2.188 1.781 484 HA LEU 56 HA LEU 56 -7.063 -0.736 -0.684 485 HB2 LEU 56 2HB LEU 56 -4.995 -2.433 0.691 486 HB3 LEU 56 1HB LEU 56 -4.781 -1.917 -0.963 487 HG LEU 56 HG LEU 56 -3.540 -0.476 0.530 488 HD11 LEU 56 1HD1 LEU 56 -4.461 0.528 -1.475 489 HD12 LEU 56 2HD1 LEU 56 -4.367 1.685 -0.150 490 HD13 LEU 56 3HD1 LEU 56 -5.920 0.984 -0.592 491 HD21 LEU 56 3HD2 LEU 56 -6.194 0.032 1.838 492 HD22 LEU 56 1HD2 LEU 56 -4.764 1.019 2.117 493 HD23 LEU 56 2HD2 LEU 56 -4.759 -0.680 2.567 494 HA PRO 57 HA PRO 57 -8.584 -3.841 -3.411 495 HB2 PRO 57 2HB PRO 57 -6.450 -2.822 -5.231 496 HB3 PRO 57 1HB PRO 57 -8.181 -3.015 -5.530 497 HG2 PRO 57 2HG PRO 57 -7.180 -0.616 -5.131 498 HG3 PRO 57 1HG PRO 57 -8.733 -1.073 -4.402 499 HD2 PRO 57 2HD PRO 57 -6.035 -0.881 -3.136 500 HD3 PRO 57 1HD PRO 57 -7.622 -0.393 -2.506 501 H ILE 58 H ILE 58 -7.925 -5.840 -4.304 502 HA ILE 58 HA ILE 58 -5.863 -6.989 -2.852 503 HB ILE 58 HB ILE 58 -6.226 -9.087 -4.225 504 HG12 ILE 58 2HG1 ILE 58 -8.511 -9.125 -5.418 505 HG13 ILE 58 1HG1 ILE 58 -8.405 -7.375 -5.456 506 HG21 ILE 58 1HG2 ILE 58 -8.360 -9.583 -3.129 507 HG22 ILE 58 2HG2 ILE 58 -8.544 -7.871 -2.759 508 HG23 ILE 58 3HG2 ILE 58 -7.205 -8.780 -2.070 509 HD11 ILE 58 3HD1 ILE 58 -6.528 -9.321 -6.766 510 HD12 ILE 58 1HD1 ILE 58 -6.337 -7.568 -6.765 511 HD13 ILE 58 2HD1 ILE 58 -7.729 -8.303 -7.565 512 H GLU 59 H GLU 59 -5.730 -5.645 -6.004 513 HA GLU 59 HA GLU 59 -3.275 -6.785 -6.784 514 HB2 GLU 59 2HB GLU 59 -4.572 -4.169 -7.496 515 HB3 GLU 59 1HB GLU 59 -3.113 -4.772 -8.276 516 HG2 GLU 59 2HG GLU 59 -4.252 -6.618 -9.184 517 HG3 GLU 59 1HG GLU 59 -5.666 -6.334 -8.179 518 H VAL 60 H VAL 60 -4.064 -3.970 -4.842 519 HA VAL 60 HA VAL 60 -1.408 -2.964 -4.675 520 HB VAL 60 HB VAL 60 -3.688 -2.543 -2.721 521 HG11 VAL 60 1HG1 VAL 60 -1.210 -0.890 -3.231 522 HG12 VAL 60 2HG1 VAL 60 -1.522 -1.883 -1.810 523 HG13 VAL 60 3HG1 VAL 60 -2.517 -0.463 -2.125 524 HG21 VAL 60 3HG2 VAL 60 -2.923 -0.950 -5.162 525 HG22 VAL 60 1HG2 VAL 60 -4.138 -0.473 -3.976 526 HG23 VAL 60 2HG2 VAL 60 -4.382 -1.920 -4.952 527 H LYS 61 H LYS 61 -3.436 -4.970 -2.606 528 HA LYS 61 HA LYS 61 -1.504 -5.366 -0.578 529 HB2 LYS 61 2HB LYS 61 -3.853 -7.110 -1.326 530 HB3 LYS 61 1HB LYS 61 -2.918 -7.257 0.157 531 HG2 LYS 61 2HG LYS 61 -3.621 -4.930 0.749 532 HG3 LYS 61 1HG LYS 61 -4.671 -4.943 -0.663 533 HD2 LYS 61 2HD LYS 61 -4.828 -6.861 1.671 534 HD3 LYS 61 1HD LYS 61 -5.895 -5.487 1.407 535 HE2 LYS 61 2HE LYS 61 -6.708 -6.506 -0.658 536 HE3 LYS 61 1HE LYS 61 -5.602 -7.862 -0.436 537 HZ1 LYS 61 3HZ LYS 61 -7.801 -8.478 0.320 538 HZ2 LYS 61 1HZ LYS 61 -7.863 -7.161 1.373 539 HZ3 LYS 61 2HZ LYS 61 -6.765 -8.380 1.629 540 H ASP 62 H ASP 62 -2.182 -6.992 -3.575 541 HA ASP 62 HA ASP 62 -0.617 -9.284 -3.269 542 HB2 ASP 62 2HB ASP 62 -2.207 -9.039 -5.094 543 HB3 ASP 62 1HB ASP 62 -1.281 -7.696 -5.752 544 H LYS 63 H LYS 63 0.189 -6.074 -4.538 545 HA LYS 63 HA LYS 63 2.894 -6.682 -5.115 546 HB2 LYS 63 2HB LYS 63 1.800 -3.966 -4.366 547 HB3 LYS 63 1HB LYS 63 3.316 -4.287 -5.186 548 HG2 LYS 63 2HG LYS 63 1.894 -5.307 -7.038 549 HG3 LYS 63 1HG LYS 63 0.523 -4.561 -6.231 550 HD2 LYS 63 2HD LYS 63 2.909 -3.182 -7.484 551 HD3 LYS 63 1HD LYS 63 1.237 -3.098 -8.001 552 HE2 LYS 63 2HE LYS 63 1.516 -1.049 -6.940 553 HE3 LYS 63 1HE LYS 63 0.860 -2.027 -5.634 554 HZ1 LYS 63 3HZ LYS 63 2.844 -0.636 -4.997 555 HZ2 LYS 63 1HZ LYS 63 3.765 -1.539 -6.056 556 HZ3 LYS 63 2HZ LYS 63 3.122 -2.265 -4.704 557 H LEU 64 H LEU 64 1.283 -5.353 -2.284 558 HA LEU 64 HA LEU 64 3.544 -4.848 -0.698 559 HB2 LEU 64 2HB LEU 64 0.838 -5.799 0.258 560 HB3 LEU 64 1HB LEU 64 2.043 -4.985 1.228 561 HG LEU 64 HG LEU 64 0.404 -3.801 -1.008 562 HD11 LEU 64 1HD1 LEU 64 -0.511 -2.376 0.740 563 HD12 LEU 64 2HD1 LEU 64 0.453 -3.231 1.942 564 HD13 LEU 64 3HD1 LEU 64 -0.811 -4.085 1.059 565 HD21 LEU 64 3HD2 LEU 64 2.577 -2.505 0.638 566 HD22 LEU 64 1HD2 LEU 64 1.488 -1.658 -0.460 567 HD23 LEU 64 2HD2 LEU 64 2.635 -2.838 -1.092 568 H THR 65 H THR 65 1.656 -7.732 -1.214 569 HA THR 65 HA THR 65 2.932 -9.408 0.672 570 HB THR 65 HB THR 65 1.442 -10.090 -1.870 571 HG1 THR 65 1HG THR 65 0.242 -8.934 -0.297 572 HG21 THR 65 3HG2 THR 65 2.774 -11.992 -1.189 573 HG22 THR 65 1HG2 THR 65 1.094 -12.319 -0.779 574 HG23 THR 65 2HG2 THR 65 2.252 -11.837 0.477 575 H ARG 66 H ARG 66 3.375 -9.028 -2.835 576 HA ARG 66 HA ARG 66 5.493 -10.908 -2.802 577 HB2 ARG 66 2HB ARG 66 4.436 -9.127 -4.961 578 HB3 ARG 66 1HB ARG 66 5.835 -10.164 -5.214 579 HG2 ARG 66 2HG ARG 66 4.445 -12.113 -4.561 580 HG3 ARG 66 1HG ARG 66 3.053 -11.037 -4.457 581 HD2 ARG 66 2HD ARG 66 4.727 -11.419 -6.923 582 HD3 ARG 66 1HD ARG 66 3.231 -12.296 -6.592 583 HE ARG 66 HE ARG 66 2.245 -9.936 -6.467 584 HH11 ARG 66 1HH1 ARG 66 4.841 -10.868 -8.708 585 HH12 ARG 66 2HH1 ARG 66 4.361 -9.765 -9.909 586 HH21 ARG 66 1HH2 ARG 66 1.610 -8.514 -8.059 587 HH22 ARG 66 2HH2 ARG 66 2.448 -8.330 -9.539 588 H PHE 67 H PHE 67 5.456 -7.589 -2.135 589 HA PHE 67 HA PHE 67 8.288 -7.326 -2.697 590 HB2 PHE 67 2HB PHE 67 6.694 -5.413 -3.024 591 HB3 PHE 67 1HB PHE 67 6.430 -5.382 -1.290 592 HD1 PHE 67 2HD PHE 67 8.532 -4.901 0.191 593 HD2 PHE 67 1HD PHE 67 8.370 -4.139 -3.982 594 HE1 PHE 67 2HE PHE 67 10.396 -3.321 0.418 595 HE2 PHE 67 1HE PHE 67 10.247 -2.562 -3.767 596 HZ PHE 67 HZ PHE 67 11.258 -2.148 -1.566 597 H PHE 68 H PHE 68 6.224 -6.998 0.229 598 HA PHE 68 HA PHE 68 8.559 -7.857 1.770 599 HB2 PHE 68 2HB PHE 68 7.896 -6.324 3.607 600 HB3 PHE 68 1HB PHE 68 8.427 -5.510 2.147 601 HD1 PHE 68 1HD PHE 68 6.793 -4.240 0.794 602 HD2 PHE 68 2HD PHE 68 5.658 -6.178 4.408 603 HE1 PHE 68 1HE PHE 68 4.739 -2.928 0.843 604 HE2 PHE 68 2HE PHE 68 3.593 -4.867 4.455 605 HZ PHE 68 HZ PHE 68 3.130 -3.237 2.674 606 H LEU 69 H LEU 69 5.032 -7.916 1.712 607 HA LEU 69 HA LEU 69 4.882 -9.129 4.318 608 HB2 LEU 69 2HB LEU 69 3.276 -7.426 3.529 609 HB3 LEU 69 1HB LEU 69 2.654 -8.540 2.345 610 HG LEU 69 HG LEU 69 1.833 -9.989 4.195 611 HD11 LEU 69 1HD1 LEU 69 3.437 -9.377 5.921 612 HD12 LEU 69 2HD1 LEU 69 1.790 -9.091 6.478 613 HD13 LEU 69 3HD1 LEU 69 2.791 -7.736 5.960 614 HD21 LEU 69 3HD2 LEU 69 0.015 -8.503 4.895 615 HD22 LEU 69 1HD2 LEU 69 0.360 -8.334 3.174 616 HD23 LEU 69 2HD2 LEU 69 0.925 -7.110 4.312 617 H LEU 70 H LEU 70 6.023 -10.561 1.917 618 HA LEU 70 HA LEU 70 4.492 -12.996 1.889 619 HB2 LEU 70 2HB LEU 70 6.469 -13.872 0.554 620 HB3 LEU 70 1HB LEU 70 5.593 -12.545 -0.167 621 HG LEU 70 HG LEU 70 7.466 -11.033 0.716 622 HD11 LEU 70 1HD1 LEU 70 8.476 -12.547 2.314 623 HD12 LEU 70 2HD1 LEU 70 9.637 -12.042 1.090 624 HD13 LEU 70 3HD1 LEU 70 8.916 -13.652 1.011 625 HD21 LEU 70 3HD2 LEU 70 8.928 -11.551 -1.174 626 HD22 LEU 70 1HD2 LEU 70 7.224 -11.578 -1.622 627 HD23 LEU 70 2HD2 LEU 70 8.094 -13.092 -1.384 628 H GLU 71 H GLU 71 6.886 -11.533 3.731 629 HA GLU 71 HA GLU 71 8.129 -13.877 4.811 630 HB2 GLU 71 2HB GLU 71 9.036 -11.438 4.537 631 HB3 GLU 71 1HB GLU 71 8.156 -11.103 6.010 632 HG2 GLU 71 2HG GLU 71 10.239 -13.268 5.876 633 HG3 GLU 71 1HG GLU 71 10.679 -11.589 6.134 634 H HIS 72 H HIS 72 7.550 -14.900 6.608 635 HA HIS 72 HA HIS 72 4.848 -15.061 7.146 636 HB2 HIS 72 2HB HIS 72 7.182 -16.285 8.558 637 HB3 HIS 72 1HB HIS 72 5.526 -16.618 9.036 638 HD1 HIS 72 1HD HIS 72 4.820 -18.789 8.114 639 HD2 HIS 72 2HD HIS 72 7.300 -16.773 5.461 640 HE1 HIS 72 1HE HIS 72 5.050 -20.287 6.128 641 HE2 HIS 72 2HE HIS 72 6.336 -18.926 4.450 642 H HIS 73 H HIS 73 3.707 -13.580 8.015 643 HA HIS 73 HA HIS 73 4.048 -12.898 10.820 644 HB2 HIS 73 2HB HIS 73 3.822 -10.779 8.645 645 HB3 HIS 73 1HB HIS 73 3.483 -10.470 10.333 646 HD1 HIS 73 1HD HIS 73 5.525 -10.037 11.880 647 HD2 HIS 73 2HD HIS 73 6.517 -11.071 7.977 648 HE1 HIS 73 1HE HIS 73 7.952 -9.560 11.654 649 HE2 HIS 73 2HE HIS 73 8.539 -10.604 9.413 650 H HIS 74 H HIS 74 1.980 -11.488 11.358 651 HA HIS 74 HA HIS 74 -0.299 -12.878 10.383 652 HB2 HIS 74 2HB HIS 74 -0.065 -10.328 12.017 653 HB3 HIS 74 1HB HIS 74 -1.612 -11.007 11.534 654 HD1 HIS 74 1HD HIS 74 0.760 -11.056 14.238 655 HD2 HIS 74 2HD HIS 74 -1.933 -13.756 12.604 656 HE1 HIS 74 1HE HIS 74 0.398 -12.782 15.992 657 HE2 HIS 74 2HE HIS 74 -1.506 -14.129 15.119 658 H HIS 75 H HIS 75 -0.806 -12.712 8.413 659 HA HIS 75 HA HIS 75 0.009 -10.597 6.726 660 HB2 HIS 75 2HB HIS 75 -0.367 -13.066 6.141 661 HB3 HIS 75 1HB HIS 75 -2.078 -12.667 6.069 662 HD1 HIS 75 1HD HIS 75 0.998 -12.642 4.102 663 HD2 HIS 75 2HD HIS 75 -2.709 -10.783 3.950 664 HE1 HIS 75 1HE HIS 75 0.802 -11.731 1.792 665 HE2 HIS 75 2HE HIS 75 -1.447 -10.627 1.696 666 H HIS 76 H HIS 76 -2.920 -11.351 8.451 667 HA HIS 76 HA HIS 76 -4.172 -8.939 7.342 668 HB2 HIS 76 2HB HIS 76 -5.392 -11.369 8.652 669 HB3 HIS 76 1HB HIS 76 -6.280 -9.867 8.450 670 HD1 HIS 76 1HD HIS 76 -7.694 -9.831 6.405 671 HD2 HIS 76 2HD HIS 76 -4.411 -12.337 5.955 672 HE1 HIS 76 1HE HIS 76 -7.998 -10.949 4.194 673 HE2 HIS 76 2HE HIS 76 -5.893 -12.258 3.848 674 H HIS 77 H HIS 77 -4.896 -7.355 8.731 675 HA HIS 77 HA HIS 77 -4.384 -7.696 11.574 676 HB2 HIS 77 2HB HIS 77 -3.498 -5.381 9.825 677 HB3 HIS 77 1HB HIS 77 -3.705 -5.207 11.559 678 HD1 HIS 77 1HD HIS 77 -1.608 -5.527 12.842 679 HD2 HIS 77 2HD HIS 77 -1.468 -7.513 9.203 680 HE1 HIS 77 1HE HIS 77 0.707 -6.435 12.664 681 HE2 HIS 77 2HE HIS 77 0.627 -7.912 10.656 Start of MODEL 12 1 H1 MET 1 1HT MET 1 -4.714 22.826 -10.374 2 H2 MET 1 2HT MET 1 -3.318 22.729 -9.471 3 H3 MET 1 3HT MET 1 -3.924 24.238 -9.903 4 HA MET 1 HA MET 1 -4.313 23.764 -7.600 5 HB2 MET 1 2HB MET 1 -5.970 25.149 -8.874 6 HB3 MET 1 1HB MET 1 -6.865 23.700 -9.254 7 HG2 MET 1 2HG MET 1 -6.448 24.608 -6.420 8 HG3 MET 1 1HG MET 1 -7.763 25.213 -7.418 9 HE1 MET 1 2HE MET 1 -8.193 23.790 -4.566 10 HE2 MET 1 3HE MET 1 -9.594 22.791 -4.942 11 HE3 MET 1 1HE MET 1 -9.494 24.434 -5.573 12 H LEU 2 H LEU 2 -5.611 21.248 -9.746 13 HA LEU 2 HA LEU 2 -6.250 19.583 -7.452 14 HB2 LEU 2 2HB LEU 2 -6.586 19.069 -10.412 15 HB3 LEU 2 1HB LEU 2 -7.020 17.937 -9.161 16 HG LEU 2 HG LEU 2 -9.015 18.886 -9.892 17 HD11 LEU 2 1HD1 LEU 2 -9.922 20.054 -7.988 18 HD12 LEU 2 2HD1 LEU 2 -8.297 20.337 -7.376 19 HD13 LEU 2 3HD1 LEU 2 -8.914 18.688 -7.507 20 HD21 LEU 2 3HD2 LEU 2 -7.783 21.618 -9.599 21 HD22 LEU 2 1HD2 LEU 2 -9.454 21.288 -10.052 22 HD23 LEU 2 2HD2 LEU 2 -8.141 20.789 -11.116 23 H LYS 3 H LYS 3 -4.896 18.109 -6.681 24 HA LYS 3 HA LYS 3 -2.549 17.414 -8.247 25 HB2 LYS 3 2HB LYS 3 -3.227 16.880 -5.348 26 HB3 LYS 3 1HB LYS 3 -1.740 16.366 -6.120 27 HG2 LYS 3 2HG LYS 3 -1.236 18.744 -6.592 28 HG3 LYS 3 1HG LYS 3 -2.677 19.188 -5.694 29 HD2 LYS 3 2HD LYS 3 -0.949 19.469 -4.144 30 HD3 LYS 3 1HD LYS 3 -1.624 17.903 -3.735 31 HE2 LYS 3 2HE LYS 3 0.810 18.235 -5.501 32 HE3 LYS 3 1HE LYS 3 0.915 18.097 -3.758 33 HZ1 LYS 3 3HZ LYS 3 -0.077 15.915 -3.902 34 HZ2 LYS 3 1HZ LYS 3 1.325 16.000 -4.804 35 HZ3 LYS 3 2HZ LYS 3 -0.127 15.982 -5.608 36 H HIS 4 H HIS 4 -2.239 15.424 -8.990 37 HA HIS 4 HA HIS 4 -4.521 13.621 -8.807 38 HB2 HIS 4 2HB HIS 4 -2.205 13.689 -10.720 39 HB3 HIS 4 1HB HIS 4 -3.290 12.311 -10.617 40 HD1 HIS 4 1HD HIS 4 -2.916 15.540 -12.237 41 HD2 HIS 4 2HD HIS 4 -6.056 13.025 -11.223 42 HE1 HIS 4 1HE HIS 4 -4.875 16.321 -13.598 43 HE2 HIS 4 2HE HIS 4 -6.809 14.959 -12.764 44 H GLY 5 H GLY 5 -1.630 13.967 -7.222 45 HA2 GLY 5 2HA GLY 5 -1.998 11.315 -6.156 46 HA3 GLY 5 1HA GLY 5 -0.475 11.570 -6.986 47 H LYS 6 H LYS 6 -1.788 11.439 -4.076 48 HA LYS 6 HA LYS 6 0.395 13.094 -3.061 49 HB2 LYS 6 2HB LYS 6 -0.811 13.953 -1.208 50 HB3 LYS 6 1HB LYS 6 -1.809 14.238 -2.615 51 HG2 LYS 6 2HG LYS 6 -2.213 12.028 -0.611 52 HG3 LYS 6 1HG LYS 6 -3.049 13.576 -0.606 53 HD2 LYS 6 2HD LYS 6 -3.936 12.990 -2.876 54 HD3 LYS 6 1HD LYS 6 -3.236 11.385 -2.656 55 HE2 LYS 6 2HE LYS 6 -5.591 11.370 -1.997 56 HE3 LYS 6 1HE LYS 6 -4.543 11.090 -0.612 57 HZ1 LYS 6 3HZ LYS 6 -6.356 12.689 -0.181 58 HZ2 LYS 6 1HZ LYS 6 -5.698 13.745 -1.292 59 HZ3 LYS 6 2HZ LYS 6 -4.850 13.359 0.113 60 H TYR 7 H TYR 7 1.117 12.430 -0.862 61 HA TYR 7 HA TYR 7 1.183 9.515 -0.906 62 HB2 TYR 7 2HB TYR 7 3.114 11.513 0.250 63 HB3 TYR 7 1HB TYR 7 3.277 9.768 0.417 64 HD1 TYR 7 1HD TYR 7 3.310 12.576 -1.969 65 HD2 TYR 7 2HD TYR 7 4.136 8.450 -1.379 66 HE1 TYR 7 1HE TYR 7 4.498 12.524 -4.099 67 HE2 TYR 7 2HE TYR 7 5.347 8.384 -3.521 68 HH TYR 7 HH TYR 7 6.297 11.149 -5.170 69 H VAL 8 H VAL 8 0.612 8.324 0.697 70 HA VAL 8 HA VAL 8 0.155 9.393 3.361 71 HB VAL 8 HB VAL 8 -1.979 8.187 3.608 72 HG11 VAL 8 1HG1 VAL 8 -2.176 10.497 2.944 73 HG12 VAL 8 2HG1 VAL 8 -3.469 9.544 2.221 74 HG13 VAL 8 3HG1 VAL 8 -2.089 10.041 1.244 75 HG21 VAL 8 3HG2 VAL 8 -1.630 6.386 2.036 76 HG22 VAL 8 1HG2 VAL 8 -1.719 7.517 0.685 77 HG23 VAL 8 2HG2 VAL 8 -3.148 7.210 1.676 78 H TYR 9 H TYR 9 -0.574 7.109 4.649 79 HA TYR 9 HA TYR 9 1.436 5.175 3.756 80 HB2 TYR 9 2HB TYR 9 0.877 6.137 6.545 81 HB3 TYR 9 1HB TYR 9 1.724 4.633 6.218 82 HD1 TYR 9 1HD TYR 9 1.881 8.308 5.790 83 HD2 TYR 9 2HD TYR 9 4.014 4.634 5.644 84 HE1 TYR 9 1HE TYR 9 3.989 9.538 5.647 85 HE2 TYR 9 2HE TYR 9 6.126 5.858 5.505 86 HH TYR 9 HH TYR 9 6.271 9.229 6.082 87 H ILE 10 H ILE 10 0.971 3.074 3.985 88 HA ILE 10 HA ILE 10 -1.836 2.467 4.529 89 HB ILE 10 HB ILE 10 0.300 0.728 3.257 90 HG12 ILE 10 2HG1 ILE 10 -0.285 2.540 1.769 91 HG13 ILE 10 1HG1 ILE 10 -0.992 1.047 1.162 92 HG21 ILE 10 1HG2 ILE 10 -1.331 -0.648 4.384 93 HG22 ILE 10 2HG2 ILE 10 -1.506 -0.796 2.635 94 HG23 ILE 10 3HG2 ILE 10 -2.645 0.188 3.556 95 HD11 ILE 10 3HD1 ILE 10 -3.135 1.750 2.240 96 HD12 ILE 10 1HD1 ILE 10 -2.606 2.790 0.908 97 HD13 ILE 10 2HD1 ILE 10 -2.372 3.306 2.570 98 H ASP 11 H ASP 11 -2.450 1.391 6.260 99 HA ASP 11 HA ASP 11 -0.542 0.891 8.323 100 HB2 ASP 11 2HB ASP 11 -2.696 1.727 9.040 101 HB3 ASP 11 1HB ASP 11 -3.532 0.377 8.304 102 H LEU 12 H LEU 12 0.785 -0.534 7.546 103 HA LEU 12 HA LEU 12 0.060 -3.225 6.918 104 HB2 LEU 12 2HB LEU 12 2.704 -2.143 7.881 105 HB3 LEU 12 1HB LEU 12 2.441 -3.663 7.056 106 HG LEU 12 HG LEU 12 2.101 -0.924 5.850 107 HD11 LEU 12 1HD1 LEU 12 4.418 -1.471 6.268 108 HD12 LEU 12 2HD1 LEU 12 4.069 -1.530 4.537 109 HD13 LEU 12 3HD1 LEU 12 4.218 -3.023 5.457 110 HD21 LEU 12 3HD2 LEU 12 0.552 -2.533 4.864 111 HD22 LEU 12 1HD2 LEU 12 1.881 -3.662 4.598 112 HD23 LEU 12 2HD2 LEU 12 1.838 -2.127 3.732 113 H ASN 13 H ASN 13 1.147 -1.394 9.621 114 HA ASN 13 HA ASN 13 0.797 -1.471 11.839 115 HB2 ASN 13 2HB ASN 13 -1.453 -2.379 11.069 116 HB3 ASN 13 1HB ASN 13 -0.848 -3.971 11.513 117 HD21 ASN 13 1HD2 ASN 13 -1.816 -0.871 12.607 118 HD22 ASN 13 2HD2 ASN 13 -2.032 -1.272 14.280 119 H ASN 14 H ASN 14 2.352 -3.886 10.240 120 HA ASN 14 HA ASN 14 3.179 -5.428 12.532 121 HB2 ASN 14 2HB ASN 14 4.667 -6.664 10.907 122 HB3 ASN 14 1HB ASN 14 2.956 -6.708 10.514 123 HD21 ASN 14 1HD2 ASN 14 2.280 -5.870 8.606 124 HD22 ASN 14 2HD2 ASN 14 3.350 -5.237 7.410 125 H GLY 15 H GLY 15 3.826 -2.584 12.265 126 HA2 GLY 15 2HA GLY 15 5.562 -1.583 13.618 127 HA3 GLY 15 1HA GLY 15 6.650 -2.849 13.076 128 H LYS 16 H LYS 16 5.399 -2.228 10.311 129 HA LYS 16 HA LYS 16 6.839 0.252 9.834 130 HB2 LYS 16 2HB LYS 16 7.673 -0.696 7.664 131 HB3 LYS 16 1HB LYS 16 8.383 -1.430 9.091 132 HG2 LYS 16 2HG LYS 16 6.893 -3.355 8.835 133 HG3 LYS 16 1HG LYS 16 6.189 -2.609 7.398 134 HD2 LYS 16 2HD LYS 16 8.317 -2.687 6.262 135 HD3 LYS 16 1HD LYS 16 9.110 -3.288 7.717 136 HE2 LYS 16 2HE LYS 16 6.943 -4.732 6.186 137 HE3 LYS 16 1HE LYS 16 8.668 -5.073 6.070 138 HZ1 LYS 16 3HZ LYS 16 6.955 -5.423 8.491 139 HZ2 LYS 16 1HZ LYS 16 8.634 -5.604 8.466 140 HZ3 LYS 16 2HZ LYS 16 7.681 -6.626 7.569 141 H TYR 17 H TYR 17 6.203 1.290 7.827 142 HA TYR 17 HA TYR 17 3.469 0.643 6.981 143 HB2 TYR 17 2HB TYR 17 4.507 3.290 7.996 144 HB3 TYR 17 1HB TYR 17 3.139 3.201 6.893 145 HD1 TYR 17 2HD TYR 17 4.291 1.838 10.182 146 HD2 TYR 17 1HD TYR 17 1.017 3.047 7.765 147 HE1 TYR 17 2HE TYR 17 2.763 1.468 12.067 148 HE2 TYR 17 1HE TYR 17 -0.511 2.683 9.645 149 HH TYR 17 HH TYR 17 -0.575 1.343 11.639 150 H VAL 18 H VAL 18 3.050 1.198 4.837 151 HA VAL 18 HA VAL 18 5.479 1.818 3.343 152 HB VAL 18 HB VAL 18 4.464 -0.304 2.642 153 HG11 VAL 18 1HG1 VAL 18 1.975 1.266 2.085 154 HG12 VAL 18 2HG1 VAL 18 2.212 0.059 3.358 155 HG13 VAL 18 3HG1 VAL 18 2.237 -0.428 1.663 156 HG21 VAL 18 3HG2 VAL 18 5.507 0.999 0.874 157 HG22 VAL 18 1HG2 VAL 18 3.982 1.835 0.575 158 HG23 VAL 18 2HG2 VAL 18 4.116 0.107 0.250 159 H LYS 19 H LYS 19 5.635 3.546 2.040 160 HA LYS 19 HA LYS 19 3.513 5.515 2.421 161 HB2 LYS 19 2HB LYS 19 5.884 6.137 2.955 162 HB3 LYS 19 1HB LYS 19 6.277 5.907 1.258 163 HG2 LYS 19 2HG LYS 19 4.786 7.717 0.636 164 HG3 LYS 19 1HG LYS 19 4.314 7.920 2.326 165 HD2 LYS 19 2HD LYS 19 6.637 8.472 2.901 166 HD3 LYS 19 1HD LYS 19 7.090 8.284 1.206 167 HE2 LYS 19 2HE LYS 19 5.558 10.107 0.605 168 HE3 LYS 19 1HE LYS 19 5.129 10.291 2.304 169 HZ1 LYS 19 3HZ LYS 19 7.401 10.912 2.785 170 HZ2 LYS 19 1HZ LYS 19 6.794 11.906 1.563 171 HZ3 LYS 19 2HZ LYS 19 7.849 10.649 1.185 172 H VAL 20 H VAL 20 2.049 5.579 0.949 173 HA VAL 20 HA VAL 20 2.710 4.696 -1.768 174 HB VAL 20 HB VAL 20 1.195 3.199 -0.445 175 HG11 VAL 20 1HG1 VAL 20 -0.695 5.521 -0.537 176 HG12 VAL 20 2HG1 VAL 20 0.039 4.792 0.893 177 HG13 VAL 20 3HG1 VAL 20 -1.124 3.877 -0.069 178 HG21 VAL 20 3HG2 VAL 20 -0.036 4.465 -2.898 179 HG22 VAL 20 1HG2 VAL 20 -0.553 2.935 -2.184 180 HG23 VAL 20 2HG2 VAL 20 1.068 3.087 -2.850 181 H ARG 21 H ARG 21 1.805 5.837 -3.438 182 HA ARG 21 HA ARG 21 0.824 8.500 -2.794 183 HB2 ARG 21 2HB ARG 21 2.825 8.349 -4.240 184 HB3 ARG 21 1HB ARG 21 1.919 7.371 -5.380 185 HG2 ARG 21 2HG ARG 21 0.477 9.244 -5.896 186 HG3 ARG 21 1HG ARG 21 1.279 10.228 -4.667 187 HD2 ARG 21 2HD ARG 21 3.391 10.025 -5.866 188 HD3 ARG 21 1HD ARG 21 2.607 9.022 -7.081 189 HE ARG 21 HE ARG 21 1.202 11.054 -7.532 190 HH11 ARG 21 1HH1 ARG 21 4.545 11.371 -6.313 191 HH12 ARG 21 2HH1 ARG 21 4.810 12.854 -7.092 192 HH21 ARG 21 1HH2 ARG 21 1.632 13.084 -8.618 193 HH22 ARG 21 2HH2 ARG 21 3.148 13.843 -8.394 194 H ILE 22 H ILE 22 -1.253 8.756 -2.938 195 HA ILE 22 HA ILE 22 -2.974 6.762 -4.156 196 HB ILE 22 HB ILE 22 -3.751 9.421 -2.927 197 HG12 ILE 22 2HG1 ILE 22 -2.560 8.129 -1.244 198 HG13 ILE 22 1HG1 ILE 22 -4.272 8.179 -0.856 199 HG21 ILE 22 1HG2 ILE 22 -5.488 8.490 -4.318 200 HG22 ILE 22 2HG2 ILE 22 -5.962 8.384 -2.623 201 HG23 ILE 22 3HG2 ILE 22 -5.386 6.948 -3.468 202 HD11 ILE 22 3HD1 ILE 22 -4.522 5.926 -1.757 203 HD12 ILE 22 1HD1 ILE 22 -3.353 5.984 -0.437 204 HD13 ILE 22 2HD1 ILE 22 -2.790 5.883 -2.104 205 H LEU 23 H LEU 23 -3.353 6.885 -6.242 206 HA LEU 23 HA LEU 23 -2.948 9.403 -7.633 207 HB2 LEU 23 2HB LEU 23 -3.635 6.670 -8.716 208 HB3 LEU 23 1HB LEU 23 -3.077 8.047 -9.646 209 HG LEU 23 HG LEU 23 -1.452 6.483 -7.637 210 HD11 LEU 23 1HD1 LEU 23 -0.163 5.751 -9.575 211 HD12 LEU 23 2HD1 LEU 23 -1.288 6.598 -10.636 212 HD13 LEU 23 3HD1 LEU 23 -1.846 5.233 -9.670 213 HD21 LEU 23 3HD2 LEU 23 -0.797 8.832 -7.677 214 HD22 LEU 23 1HD2 LEU 23 -0.644 8.766 -9.433 215 HD23 LEU 23 2HD2 LEU 23 0.442 7.818 -8.415 216 H LYS 24 H LYS 24 -4.636 10.636 -7.677 217 HA LYS 24 HA LYS 24 -7.288 9.472 -7.326 218 HB2 LYS 24 2HB LYS 24 -6.326 12.314 -7.087 219 HB3 LYS 24 1HB LYS 24 -8.000 11.806 -6.855 220 HG2 LYS 24 2HG LYS 24 -7.261 10.435 -4.938 221 HG3 LYS 24 1HG LYS 24 -5.605 10.992 -5.190 222 HD2 LYS 24 2HD LYS 24 -6.598 12.317 -3.430 223 HD3 LYS 24 1HD LYS 24 -6.405 13.328 -4.860 224 HE2 LYS 24 2HE LYS 24 -8.549 13.788 -3.925 225 HE3 LYS 24 1HE LYS 24 -8.812 12.874 -5.398 226 HZ1 LYS 24 3HZ LYS 24 -9.114 11.963 -2.596 227 HZ2 LYS 24 1HZ LYS 24 -8.997 10.843 -3.863 228 HZ3 LYS 24 2HZ LYS 24 -10.233 11.963 -3.832 229 H SER 25 H SER 25 -8.342 9.040 -9.133 230 HA SER 25 HA SER 25 -8.036 10.931 -11.321 231 HB2 SER 25 2HB SER 25 -8.814 8.013 -11.468 232 HB3 SER 25 1HB SER 25 -8.601 9.109 -12.839 233 HG SER 25 HG SER 25 -6.560 8.781 -10.966 234 H ARG 26 H ARG 26 -9.609 12.187 -10.110 235 HA ARG 26 HA ARG 26 -12.341 11.243 -10.185 236 HB2 ARG 26 2HB ARG 26 -11.370 12.846 -8.425 237 HB3 ARG 26 1HB ARG 26 -11.388 14.073 -9.686 238 HG2 ARG 26 2HG ARG 26 -13.796 13.811 -9.912 239 HG3 ARG 26 1HG ARG 26 -13.778 12.569 -8.661 240 HD2 ARG 26 2HD ARG 26 -12.761 14.306 -7.132 241 HD3 ARG 26 1HD ARG 26 -13.131 15.494 -8.380 242 HE ARG 26 HE ARG 26 -15.352 13.860 -7.615 243 HH11 ARG 26 1HH1 ARG 26 -13.594 16.844 -6.900 244 HH12 ARG 26 2HH1 ARG 26 -14.880 17.600 -6.091 245 HH21 ARG 26 1HH2 ARG 26 -17.138 14.868 -6.456 246 HH22 ARG 26 2HH2 ARG 26 -16.957 16.408 -5.790 247 H ASP 27 H ASP 27 -10.058 12.947 -12.017 248 HA ASP 27 HA ASP 27 -11.589 14.243 -13.993 249 HB2 ASP 27 2HB ASP 27 -8.857 12.980 -14.063 250 HB3 ASP 27 1HB ASP 27 -9.578 13.670 -15.508 251 H ASP 28 H ASP 28 -10.716 10.961 -13.494 252 HA ASP 28 HA ASP 28 -11.625 9.987 -16.043 253 HB2 ASP 28 2HB ASP 28 -9.926 8.791 -14.693 254 HB3 ASP 28 1HB ASP 28 -11.138 8.498 -13.453 255 H ASN 29 H ASN 29 -12.689 9.544 -12.748 256 HA ASN 29 HA ASN 29 -15.383 10.208 -13.229 257 HB2 ASN 29 2HB ASN 29 -15.524 7.977 -14.239 258 HB3 ASN 29 1HB ASN 29 -14.715 7.251 -12.863 259 HD21 ASN 29 1HD2 ASN 29 -16.359 5.855 -12.354 260 HD22 ASN 29 2HD2 ASN 29 -17.843 6.369 -11.678 261 H SER 30 H SER 30 -14.129 7.712 -11.151 262 HA SER 30 HA SER 30 -13.408 9.326 -8.972 263 HB2 SER 30 2HB SER 30 -15.960 7.666 -8.701 264 HB3 SER 30 1HB SER 30 -15.101 8.404 -7.354 265 HG SER 30 HG SER 30 -15.777 10.091 -9.438 266 H VAL 31 H VAL 31 -11.673 8.026 -9.860 267 HA VAL 31 HA VAL 31 -11.689 5.290 -8.802 268 HB VAL 31 HB VAL 31 -10.429 6.210 -11.410 269 HG11 VAL 31 1HG1 VAL 31 -9.869 3.861 -11.778 270 HG12 VAL 31 2HG1 VAL 31 -10.556 3.450 -10.212 271 HG13 VAL 31 3HG1 VAL 31 -9.117 4.468 -10.299 272 HG21 VAL 31 3HG2 VAL 31 -12.832 6.028 -11.645 273 HG22 VAL 31 1HG2 VAL 31 -12.801 4.404 -10.954 274 HG23 VAL 31 2HG2 VAL 31 -12.022 4.710 -12.504 275 H GLU 32 H GLU 32 -10.168 5.190 -7.282 276 HA GLU 32 HA GLU 32 -7.862 6.924 -7.646 277 HB2 GLU 32 2HB GLU 32 -9.003 5.806 -5.084 278 HB3 GLU 32 1HB GLU 32 -7.525 6.754 -5.196 279 HG2 GLU 32 2HG GLU 32 -8.810 8.634 -6.107 280 HG3 GLU 32 1HG GLU 32 -10.279 7.684 -5.962 281 H LYS 33 H LYS 33 -6.123 6.042 -8.158 282 HA LYS 33 HA LYS 33 -5.812 3.150 -7.876 283 HB2 LYS 33 2HB LYS 33 -4.460 5.128 -9.720 284 HB3 LYS 33 1HB LYS 33 -3.917 3.469 -9.531 285 HG2 LYS 33 2HG LYS 33 -6.625 4.337 -10.537 286 HG3 LYS 33 1HG LYS 33 -5.281 3.776 -11.533 287 HD2 LYS 33 2HD LYS 33 -5.339 1.617 -10.257 288 HD3 LYS 33 1HD LYS 33 -6.800 2.191 -9.459 289 HE2 LYS 33 2HE LYS 33 -7.381 0.744 -11.308 290 HE3 LYS 33 1HE LYS 33 -7.897 2.393 -11.651 291 HZ1 LYS 33 3HZ LYS 33 -6.855 1.317 -13.557 292 HZ2 LYS 33 1HZ LYS 33 -5.424 1.122 -12.699 293 HZ3 LYS 33 2HZ LYS 33 -5.957 2.663 -13.068 294 H TYR 34 H TYR 34 -3.410 2.545 -7.603 295 HA TYR 34 HA TYR 34 -2.284 4.288 -5.573 296 HB2 TYR 34 2HB TYR 34 -2.565 1.268 -5.380 297 HB3 TYR 34 1HB TYR 34 -1.858 2.329 -4.163 298 HD1 TYR 34 1HD TYR 34 -3.333 3.919 -2.921 299 HD2 TYR 34 2HD TYR 34 -4.952 0.974 -5.521 300 HE1 TYR 34 1HE TYR 34 -5.566 4.255 -1.921 301 HE2 TYR 34 2HE TYR 34 -7.174 1.302 -4.524 302 HH TYR 34 HH TYR 34 -7.905 3.949 -2.577 303 H VAL 35 H VAL 35 -0.062 4.232 -5.523 304 HA VAL 35 HA VAL 35 1.153 3.651 -8.004 305 HB VAL 35 HB VAL 35 1.876 5.476 -6.459 306 HG11 VAL 35 1HG1 VAL 35 3.437 4.984 -4.645 307 HG12 VAL 35 2HG1 VAL 35 3.103 3.260 -4.883 308 HG13 VAL 35 3HG1 VAL 35 1.810 4.345 -4.380 309 HG21 VAL 35 3HG2 VAL 35 4.304 5.285 -6.886 310 HG22 VAL 35 1HG2 VAL 35 3.333 4.869 -8.299 311 HG23 VAL 35 2HG2 VAL 35 4.069 3.594 -7.332 312 H LEU 36 H LEU 36 2.865 2.175 -8.470 313 HA LEU 36 HA LEU 36 2.258 -0.431 -7.552 314 HB2 LEU 36 2HB LEU 36 4.172 0.590 -9.627 315 HB3 LEU 36 1HB LEU 36 3.938 -1.101 -9.274 316 HG LEU 36 HG LEU 36 2.720 -0.666 -11.233 317 HD11 LEU 36 1HD1 LEU 36 1.526 -2.078 -9.719 318 HD12 LEU 36 2HD1 LEU 36 0.406 -1.102 -10.670 319 HD13 LEU 36 3HD1 LEU 36 0.727 -0.680 -8.992 320 HD21 LEU 36 3HD2 LEU 36 1.031 1.114 -11.480 321 HD22 LEU 36 1HD2 LEU 36 2.635 1.774 -11.160 322 HD23 LEU 36 2HD2 LEU 36 1.437 1.708 -9.871 323 H THR 37 H THR 37 4.258 1.775 -6.222 324 HA THR 37 HA THR 37 6.453 -0.071 -5.782 325 HB THR 37 HB THR 37 7.001 2.307 -6.306 326 HG1 THR 37 1HG THR 37 8.692 2.041 -5.190 327 HG21 THR 37 3HG2 THR 37 6.698 4.032 -4.574 328 HG22 THR 37 1HG2 THR 37 5.768 2.885 -3.611 329 HG23 THR 37 2HG2 THR 37 5.161 3.427 -5.182 330 H SER 38 H SER 38 7.158 -0.555 -3.673 331 HA SER 38 HA SER 38 5.032 -0.518 -1.675 332 HB2 SER 38 2HB SER 38 6.804 -2.845 -2.437 333 HB3 SER 38 1HB SER 38 5.539 -2.862 -1.203 334 HG SER 38 HG SER 38 4.284 -1.986 -3.186 335 H HIS 39 H HIS 39 7.482 1.081 -2.103 336 HA HIS 39 HA HIS 39 9.505 0.334 -0.283 337 HB2 HIS 39 2HB HIS 39 8.782 2.999 -1.468 338 HB3 HIS 39 1HB HIS 39 10.018 2.883 -0.226 339 HD1 HIS 39 1HD HIS 39 11.821 3.676 -1.933 340 HD2 HIS 39 2HD HIS 39 9.948 0.112 -2.951 341 HE1 HIS 39 1HE HIS 39 13.224 2.669 -3.755 342 HE2 HIS 39 2HE HIS 39 11.905 0.678 -4.531 343 H VAL 40 H VAL 40 9.252 -0.121 1.650 344 HA VAL 40 HA VAL 40 7.263 1.113 3.294 345 HB VAL 40 HB VAL 40 8.115 -0.572 5.028 346 HG11 VAL 40 1HG1 VAL 40 6.945 -2.430 3.918 347 HG12 VAL 40 2HG1 VAL 40 6.991 -1.526 2.402 348 HG13 VAL 40 3HG1 VAL 40 6.081 -0.903 3.779 349 HG21 VAL 40 3HG2 VAL 40 10.313 -0.982 3.948 350 HG22 VAL 40 1HG2 VAL 40 9.477 -1.729 2.585 351 HG23 VAL 40 2HG2 VAL 40 9.386 -2.467 4.181 352 H SER 41 H SER 41 7.577 2.107 5.184 353 HA SER 41 HA SER 41 10.196 3.258 5.635 354 HB2 SER 41 2HB SER 41 8.334 4.860 5.168 355 HB3 SER 41 1HB SER 41 7.448 4.189 6.536 356 HG SER 41 HG SER 41 10.003 5.426 6.677 357 H LYS 42 H LYS 42 11.124 2.777 7.521 358 HA LYS 42 HA LYS 42 9.996 0.680 9.161 359 HB2 LYS 42 2HB LYS 42 12.222 0.698 10.249 360 HB3 LYS 42 1HB LYS 42 12.331 0.537 8.501 361 HG2 LYS 42 2HG LYS 42 12.815 2.968 8.368 362 HG3 LYS 42 1HG LYS 42 12.853 3.010 10.131 363 HD2 LYS 42 2HD LYS 42 14.680 1.363 10.104 364 HD3 LYS 42 1HD LYS 42 14.646 1.378 8.338 365 HE2 LYS 42 2HE LYS 42 15.115 3.801 8.379 366 HE3 LYS 42 1HE LYS 42 15.230 3.717 10.136 367 HZ1 LYS 42 3HZ LYS 42 17.008 2.384 8.175 368 HZ2 LYS 42 1HZ LYS 42 17.080 2.145 9.854 369 HZ3 LYS 42 2HZ LYS 42 17.376 3.668 9.189 370 H ASN 43 H ASN 43 9.102 3.609 9.157 371 HA ASN 43 HA ASN 43 9.196 3.996 12.056 372 HB2 ASN 43 2HB ASN 43 9.271 6.132 9.910 373 HB3 ASN 43 1HB ASN 43 9.044 6.445 11.621 374 HD21 ASN 43 1HD2 ASN 43 11.304 5.622 9.132 375 HD22 ASN 43 2HD2 ASN 43 12.721 5.783 10.095 376 H ARG 44 H ARG 44 7.274 4.760 12.950 377 HA ARG 44 HA ARG 44 4.977 4.380 11.210 378 HB2 ARG 44 2HB ARG 44 5.026 4.755 14.225 379 HB3 ARG 44 1HB ARG 44 3.623 4.325 13.262 380 HG2 ARG 44 2HG ARG 44 4.792 2.227 12.606 381 HG3 ARG 44 1HG ARG 44 6.076 2.649 13.736 382 HD2 ARG 44 2HD ARG 44 4.581 1.101 14.807 383 HD3 ARG 44 1HD ARG 44 4.374 2.683 15.556 384 HE ARG 44 HE ARG 44 2.467 2.603 13.623 385 HH11 ARG 44 1HH1 ARG 44 3.241 0.543 16.391 386 HH12 ARG 44 2HH1 ARG 44 1.668 -0.055 16.573 387 HH21 ARG 44 1HH2 ARG 44 0.305 1.744 13.830 388 HH22 ARG 44 2HH2 ARG 44 -0.057 0.685 15.123 389 HA PRO 45 HA PRO 45 5.108 8.746 10.694 390 HB2 PRO 45 2HB PRO 45 2.770 9.036 9.342 391 HB3 PRO 45 1HB PRO 45 4.261 8.445 8.601 392 HG2 PRO 45 2HG PRO 45 1.897 6.907 9.580 393 HG3 PRO 45 1HG PRO 45 2.895 6.660 8.131 394 HD2 PRO 45 2HD PRO 45 3.166 5.185 10.398 395 HD3 PRO 45 1HD PRO 45 4.519 5.517 9.292 396 H LYS 46 H LYS 46 4.645 10.259 12.017 397 HA LYS 46 HA LYS 46 2.544 10.119 13.940 398 HB2 LYS 46 2HB LYS 46 4.679 11.189 14.486 399 HB3 LYS 46 1HB LYS 46 4.442 12.365 13.200 400 HG2 LYS 46 2HG LYS 46 2.435 13.197 14.392 401 HG3 LYS 46 1HG LYS 46 2.794 12.085 15.708 402 HD2 LYS 46 2HD LYS 46 4.580 14.322 14.743 403 HD3 LYS 46 1HD LYS 46 3.571 14.344 16.188 404 HE2 LYS 46 2HE LYS 46 4.859 12.453 17.089 405 HE3 LYS 46 1HE LYS 46 5.896 12.494 15.665 406 HZ1 LYS 46 3HZ LYS 46 5.579 14.664 17.659 407 HZ2 LYS 46 1HZ LYS 46 6.529 14.755 16.267 408 HZ3 LYS 46 2HZ LYS 46 6.916 13.648 17.481 409 H ASN 47 H ASN 47 3.304 12.346 11.254 410 HA ASN 47 HA ASN 47 0.473 13.086 11.279 411 HB2 ASN 47 2HB ASN 47 1.970 14.969 11.822 412 HB3 ASN 47 1HB ASN 47 2.789 14.741 10.279 413 HD21 ASN 47 1HD2 ASN 47 2.245 16.706 9.445 414 HD22 ASN 47 2HD2 ASN 47 0.639 17.140 8.995 415 H ALA 48 H ALA 48 -0.160 11.448 9.928 416 HA ALA 48 HA ALA 48 -0.080 12.135 7.186 417 HB1 ALA 48 1HB ALA 48 0.758 9.980 6.384 418 HB2 ALA 48 2HB ALA 48 1.098 9.483 8.042 419 HB3 ALA 48 3HB ALA 48 2.005 10.813 7.316 420 H ILE 49 H ILE 49 -1.529 10.598 6.024 421 HA ILE 49 HA ILE 49 -3.679 9.741 7.804 422 HB ILE 49 HB ILE 49 -3.597 9.969 4.770 423 HG12 ILE 49 2HG1 ILE 49 -3.429 12.192 5.780 424 HG13 ILE 49 1HG1 ILE 49 -4.999 11.986 5.019 425 HG21 ILE 49 1HG2 ILE 49 -6.038 9.747 4.844 426 HG22 ILE 49 2HG2 ILE 49 -5.959 9.507 6.589 427 HG23 ILE 49 3HG2 ILE 49 -5.228 8.326 5.506 428 HD11 ILE 49 3HD1 ILE 49 -5.181 13.154 7.137 429 HD12 ILE 49 1HD1 ILE 49 -4.431 11.797 7.975 430 HD13 ILE 49 2HD1 ILE 49 -6.008 11.598 7.211 431 H VAL 50 H VAL 50 -4.027 7.565 8.093 432 HA VAL 50 HA VAL 50 -2.412 5.848 6.398 433 HB VAL 50 HB VAL 50 -2.422 4.124 8.138 434 HG11 VAL 50 1HG1 VAL 50 -1.415 6.785 9.117 435 HG12 VAL 50 2HG1 VAL 50 -0.557 5.642 8.086 436 HG13 VAL 50 3HG1 VAL 50 -0.932 5.216 9.757 437 HG21 VAL 50 3HG2 VAL 50 -4.520 4.653 9.271 438 HG22 VAL 50 1HG2 VAL 50 -3.829 6.159 9.870 439 HG23 VAL 50 2HG2 VAL 50 -3.190 4.613 10.429 440 H ILE 51 H ILE 51 -3.264 4.287 5.328 441 HA ILE 51 HA ILE 51 -6.155 3.854 5.602 442 HB ILE 51 HB ILE 51 -4.490 3.416 3.090 443 HG12 ILE 51 2HG1 ILE 51 -6.359 5.725 3.698 444 HG13 ILE 51 1HG1 ILE 51 -4.600 5.823 3.716 445 HG21 ILE 51 1HG2 ILE 51 -6.692 3.265 1.986 446 HG22 ILE 51 2HG2 ILE 51 -7.482 3.506 3.542 447 HG23 ILE 51 3HG2 ILE 51 -6.525 2.050 3.255 448 HD11 ILE 51 3HD1 ILE 51 -4.544 5.297 1.350 449 HD12 ILE 51 1HD1 ILE 51 -5.547 6.715 1.662 450 HD13 ILE 51 2HD1 ILE 51 -6.301 5.153 1.332 451 H LYS 52 H LYS 52 -6.639 1.837 6.174 452 HA LYS 52 HA LYS 52 -4.468 0.015 6.726 453 HB2 LYS 52 2HB LYS 52 -6.620 0.546 8.115 454 HB3 LYS 52 1HB LYS 52 -7.393 -0.595 7.031 455 HG2 LYS 52 2HG LYS 52 -5.788 -2.316 7.741 456 HG3 LYS 52 1HG LYS 52 -5.082 -1.162 8.877 457 HD2 LYS 52 2HD LYS 52 -7.431 -0.896 9.819 458 HD3 LYS 52 1HD LYS 52 -7.851 -2.321 8.881 459 HE2 LYS 52 2HE LYS 52 -7.332 -3.028 11.109 460 HE3 LYS 52 1HE LYS 52 -6.035 -3.556 10.039 461 HZ1 LYS 52 3HZ LYS 52 -5.941 -1.154 11.784 462 HZ2 LYS 52 1HZ LYS 52 -4.654 -1.702 10.839 463 HZ3 LYS 52 2HZ LYS 52 -5.215 -2.625 12.136 464 H MET 53 H MET 53 -4.167 -2.029 5.787 465 HA MET 53 HA MET 53 -4.557 -2.285 3.036 466 HB2 MET 53 2HB MET 53 -4.028 -4.390 5.100 467 HB3 MET 53 1HB MET 53 -3.993 -4.720 3.372 468 HG2 MET 53 2HG MET 53 -2.190 -3.097 3.094 469 HG3 MET 53 1HG MET 53 -2.233 -2.752 4.819 470 HE1 MET 53 3HE MET 53 -1.516 -4.370 6.681 471 HE2 MET 53 1HE MET 53 -0.864 -5.992 6.404 472 HE3 MET 53 2HE MET 53 -2.566 -5.661 6.110 473 H ASP 54 H ASP 54 -6.545 -3.150 5.603 474 HA ASP 54 HA ASP 54 -8.515 -4.820 4.710 475 HB2 ASP 54 2HB ASP 54 -8.493 -3.801 6.925 476 HB3 ASP 54 1HB ASP 54 -8.852 -2.231 6.223 477 H ASN 55 H ASN 55 -8.044 -1.445 3.803 478 HA ASN 55 HA ASN 55 -10.514 -1.465 2.214 479 HB2 ASN 55 2HB ASN 55 -10.013 0.450 3.780 480 HB3 ASN 55 1HB ASN 55 -8.669 0.875 2.730 481 HD21 ASN 55 1HD2 ASN 55 -9.107 1.912 0.766 482 HD22 ASN 55 2HD2 ASN 55 -10.690 2.453 0.340 483 H LEU 56 H LEU 56 -7.323 -2.160 1.748 484 HA LEU 56 HA LEU 56 -7.110 -0.935 -0.854 485 HB2 LEU 56 2HB LEU 56 -5.199 -2.521 0.835 486 HB3 LEU 56 1HB LEU 56 -4.887 -2.311 -0.870 487 HG LEU 56 HG LEU 56 -3.611 -0.721 0.472 488 HD11 LEU 56 1HD1 LEU 56 -5.770 0.641 -1.111 489 HD12 LEU 56 2HD1 LEU 56 -4.305 -0.076 -1.765 490 HD13 LEU 56 3HD1 LEU 56 -4.201 1.317 -0.689 491 HD21 LEU 56 3HD2 LEU 56 -4.852 1.160 1.594 492 HD22 LEU 56 1HD2 LEU 56 -5.000 -0.410 2.400 493 HD23 LEU 56 2HD2 LEU 56 -6.307 0.197 1.397 494 HA PRO 57 HA PRO 57 -8.778 -4.402 -3.002 495 HB2 PRO 57 2HB PRO 57 -6.979 -3.619 -5.226 496 HB3 PRO 57 1HB PRO 57 -8.735 -3.789 -5.219 497 HG2 PRO 57 2HG PRO 57 -7.599 -1.380 -5.286 498 HG3 PRO 57 1HG PRO 57 -9.076 -1.677 -4.353 499 HD2 PRO 57 2HD PRO 57 -6.252 -1.436 -3.394 500 HD3 PRO 57 1HD PRO 57 -7.748 -0.800 -2.680 501 H ILE 58 H ILE 58 -8.111 -6.432 -3.792 502 HA ILE 58 HA ILE 58 -5.864 -7.509 -2.596 503 HB ILE 58 HB ILE 58 -6.222 -9.552 -4.082 504 HG12 ILE 58 2HG1 ILE 58 -8.571 -9.644 -5.127 505 HG13 ILE 58 1HG1 ILE 58 -8.582 -7.894 -5.034 506 HG21 ILE 58 1HG2 ILE 58 -8.245 -10.218 -2.885 507 HG22 ILE 58 2HG2 ILE 58 -8.480 -8.540 -2.390 508 HG23 ILE 58 3HG2 ILE 58 -7.056 -9.428 -1.851 509 HD11 ILE 58 3HD1 ILE 58 -6.646 -9.570 -6.617 510 HD12 ILE 58 1HD1 ILE 58 -6.657 -7.811 -6.536 511 HD13 ILE 58 2HD1 ILE 58 -8.017 -8.666 -7.264 512 H GLU 59 H GLU 59 -6.118 -6.025 -5.631 513 HA GLU 59 HA GLU 59 -3.843 -6.908 -6.981 514 HB2 GLU 59 2HB GLU 59 -5.012 -4.129 -6.885 515 HB3 GLU 59 1HB GLU 59 -3.910 -4.741 -8.106 516 HG2 GLU 59 2HG GLU 59 -5.586 -6.311 -8.870 517 HG3 GLU 59 1HG GLU 59 -6.685 -5.779 -7.595 518 H VAL 60 H VAL 60 -4.276 -4.244 -4.707 519 HA VAL 60 HA VAL 60 -1.568 -3.356 -4.801 520 HB VAL 60 HB VAL 60 -3.691 -2.705 -2.746 521 HG11 VAL 60 1HG1 VAL 60 -1.465 -2.097 -2.013 522 HG12 VAL 60 2HG1 VAL 60 -2.385 -0.637 -2.391 523 HG13 VAL 60 3HG1 VAL 60 -1.173 -1.236 -3.522 524 HG21 VAL 60 3HG2 VAL 60 -3.032 -1.291 -5.330 525 HG22 VAL 60 1HG2 VAL 60 -4.163 -0.713 -4.106 526 HG23 VAL 60 2HG2 VAL 60 -4.504 -2.200 -4.980 527 H LYS 61 H LYS 61 -3.517 -5.219 -2.547 528 HA LYS 61 HA LYS 61 -1.533 -5.502 -0.569 529 HB2 LYS 61 2HB LYS 61 -3.895 -7.274 -1.194 530 HB3 LYS 61 1HB LYS 61 -2.900 -7.429 0.251 531 HG2 LYS 61 2HG LYS 61 -3.421 -5.096 0.802 532 HG3 LYS 61 1HG LYS 61 -4.542 -5.041 -0.550 533 HD2 LYS 61 2HD LYS 61 -4.769 -6.985 1.759 534 HD3 LYS 61 1HD LYS 61 -5.648 -5.465 1.659 535 HE2 LYS 61 2HE LYS 61 -6.730 -6.229 -0.397 536 HE3 LYS 61 1HE LYS 61 -5.853 -7.755 -0.296 537 HZ1 LYS 61 3HZ LYS 61 -8.063 -7.986 0.575 538 HZ2 LYS 61 1HZ LYS 61 -7.835 -6.730 1.660 539 HZ3 LYS 61 2HZ LYS 61 -6.966 -8.175 1.834 540 H ASP 62 H ASP 62 -2.199 -7.266 -3.420 541 HA ASP 62 HA ASP 62 -0.363 -9.377 -3.042 542 HB2 ASP 62 2HB ASP 62 -1.999 -9.651 -4.758 543 HB3 ASP 62 1HB ASP 62 -1.525 -8.149 -5.538 544 H LYS 63 H LYS 63 -0.038 -6.144 -4.404 545 HA LYS 63 HA LYS 63 2.635 -6.350 -5.387 546 HB2 LYS 63 2HB LYS 63 1.317 -3.896 -4.218 547 HB3 LYS 63 1HB LYS 63 2.667 -3.930 -5.329 548 HG2 LYS 63 2HG LYS 63 -0.110 -4.852 -6.023 549 HG3 LYS 63 1HG LYS 63 0.448 -3.218 -6.291 550 HD2 LYS 63 2HD LYS 63 0.706 -4.230 -8.368 551 HD3 LYS 63 1HD LYS 63 2.321 -4.339 -7.693 552 HE2 LYS 63 2HE LYS 63 1.733 -6.434 -8.774 553 HE3 LYS 63 1HE LYS 63 1.841 -6.716 -7.049 554 HZ1 LYS 63 3HZ LYS 63 -0.681 -6.407 -7.045 555 HZ2 LYS 63 1HZ LYS 63 -0.065 -7.803 -7.779 556 HZ3 LYS 63 2HZ LYS 63 -0.587 -6.501 -8.721 557 H LEU 64 H LEU 64 1.287 -5.270 -2.333 558 HA LEU 64 HA LEU 64 3.658 -4.640 -0.995 559 HB2 LEU 64 2HB LEU 64 1.110 -5.750 0.185 560 HB3 LEU 64 1HB LEU 64 2.349 -4.868 1.052 561 HG LEU 64 HG LEU 64 0.530 -3.748 -1.081 562 HD11 LEU 64 1HD1 LEU 64 0.624 -3.253 1.886 563 HD12 LEU 64 2HD1 LEU 64 -0.612 -4.159 1.018 564 HD13 LEU 64 3HD1 LEU 64 -0.420 -2.429 0.730 565 HD21 LEU 64 3HD2 LEU 64 2.644 -2.365 0.570 566 HD22 LEU 64 1HD2 LEU 64 1.503 -1.568 -0.511 567 HD23 LEU 64 2HD2 LEU 64 2.714 -2.664 -1.169 568 H THR 65 H THR 65 1.842 -7.646 -1.197 569 HA THR 65 HA THR 65 3.486 -9.223 0.447 570 HB THR 65 HB THR 65 1.723 -10.044 -1.875 571 HG1 THR 65 1HG THR 65 0.438 -9.065 -0.386 572 HG21 THR 65 3HG2 THR 65 1.633 -12.235 -0.727 573 HG22 THR 65 1HG2 THR 65 2.795 -11.651 0.462 574 HG23 THR 65 2HG2 THR 65 3.277 -11.835 -1.225 575 H ARG 66 H ARG 66 3.547 -8.817 -3.057 576 HA ARG 66 HA ARG 66 5.609 -10.630 -3.520 577 HB2 ARG 66 2HB ARG 66 4.792 -8.229 -5.132 578 HB3 ARG 66 1HB ARG 66 5.929 -9.451 -5.683 579 HG2 ARG 66 2HG ARG 66 4.179 -11.152 -5.494 580 HG3 ARG 66 1HG ARG 66 3.041 -9.908 -4.973 581 HD2 ARG 66 2HD ARG 66 3.339 -8.744 -7.092 582 HD3 ARG 66 1HD ARG 66 4.489 -9.967 -7.619 583 HE ARG 66 HE ARG 66 1.606 -10.252 -7.292 584 HH11 ARG 66 1HH1 ARG 66 4.703 -11.780 -8.189 585 HH12 ARG 66 2HH1 ARG 66 3.986 -13.011 -9.102 586 HH21 ARG 66 1HH2 ARG 66 0.650 -11.973 -8.586 587 HH22 ARG 66 2HH2 ARG 66 1.661 -13.114 -9.349 588 H PHE 67 H PHE 67 5.813 -7.300 -2.496 589 HA PHE 67 HA PHE 67 8.671 -7.302 -3.016 590 HB2 PHE 67 2HB PHE 67 7.338 -5.245 -3.455 591 HB3 PHE 67 1HB PHE 67 7.014 -5.122 -1.729 592 HD1 PHE 67 1HD PHE 67 9.759 -5.169 -4.222 593 HD2 PHE 67 2HD PHE 67 8.574 -3.939 -0.293 594 HE1 PHE 67 1HE PHE 67 11.837 -3.879 -3.974 595 HE2 PHE 67 2HE PHE 67 10.630 -2.673 -0.071 596 HZ PHE 67 HZ PHE 67 12.273 -2.630 -1.903 597 H PHE 68 H PHE 68 6.619 -6.805 -0.118 598 HA PHE 68 HA PHE 68 9.002 -7.621 1.384 599 HB2 PHE 68 2HB PHE 68 8.395 -6.070 3.194 600 HB3 PHE 68 1HB PHE 68 8.696 -5.229 1.683 601 HD1 PHE 68 2HD PHE 68 6.832 -4.169 0.470 602 HD2 PHE 68 1HD PHE 68 6.235 -6.096 4.220 603 HE1 PHE 68 2HE PHE 68 4.668 -3.062 0.692 604 HE2 PHE 68 1HE PHE 68 4.060 -4.988 4.436 605 HZ PHE 68 HZ PHE 68 3.275 -3.469 2.668 606 H LEU 69 H LEU 69 5.477 -7.885 1.263 607 HA LEU 69 HA LEU 69 5.458 -8.928 3.934 608 HB2 LEU 69 2HB LEU 69 3.684 -7.388 3.081 609 HB3 LEU 69 1HB LEU 69 3.043 -8.662 2.094 610 HG LEU 69 HG LEU 69 2.593 -9.974 4.176 611 HD11 LEU 69 1HD1 LEU 69 3.313 -7.368 5.520 612 HD12 LEU 69 2HD1 LEU 69 4.205 -8.882 5.652 613 HD13 LEU 69 3HD1 LEU 69 2.572 -8.764 6.302 614 HD21 LEU 69 3HD2 LEU 69 0.842 -8.702 3.043 615 HD22 LEU 69 1HD2 LEU 69 1.297 -7.253 3.945 616 HD23 LEU 69 2HD2 LEU 69 0.625 -8.642 4.794 617 H LEU 70 H LEU 70 6.364 -10.434 1.266 618 HA LEU 70 HA LEU 70 5.206 -12.993 1.394 619 HB2 LEU 70 2HB LEU 70 8.095 -12.227 0.896 620 HB3 LEU 70 1HB LEU 70 7.470 -13.844 0.687 621 HG LEU 70 HG LEU 70 6.594 -11.436 -0.909 622 HD11 LEU 70 1HD1 LEU 70 8.434 -13.715 -1.628 623 HD12 LEU 70 2HD1 LEU 70 8.907 -12.033 -1.386 624 HD13 LEU 70 3HD1 LEU 70 7.854 -12.471 -2.734 625 HD21 LEU 70 3HD2 LEU 70 4.865 -13.162 -0.709 626 HD22 LEU 70 1HD2 LEU 70 6.016 -14.376 -1.266 627 HD23 LEU 70 2HD2 LEU 70 5.505 -13.080 -2.348 628 H GLU 71 H GLU 71 7.862 -11.561 3.183 629 HA GLU 71 HA GLU 71 7.769 -13.790 5.042 630 HB2 GLU 71 2HB GLU 71 9.990 -13.062 4.116 631 HB3 GLU 71 1HB GLU 71 9.755 -11.518 4.920 632 HG2 GLU 71 2HG GLU 71 9.769 -12.579 7.081 633 HG3 GLU 71 1HG GLU 71 9.852 -14.174 6.335 634 H HIS 72 H HIS 72 6.444 -13.524 6.601 635 HA HIS 72 HA HIS 72 6.151 -10.931 7.831 636 HB2 HIS 72 2HB HIS 72 3.623 -11.322 7.992 637 HB3 HIS 72 1HB HIS 72 4.239 -10.887 6.409 638 HD1 HIS 72 1HD HIS 72 3.893 -12.585 4.505 639 HD2 HIS 72 2HD HIS 72 2.647 -13.992 8.209 640 HE1 HIS 72 1HE HIS 72 2.684 -14.719 4.045 641 HE2 HIS 72 2HE HIS 72 2.275 -15.689 6.295 642 H HIS 73 H HIS 73 7.382 -11.642 9.479 643 HA HIS 73 HA HIS 73 6.056 -13.620 11.147 644 HB2 HIS 73 2HB HIS 73 8.053 -14.642 10.091 645 HB3 HIS 73 1HB HIS 73 9.056 -13.379 10.794 646 HD1 HIS 73 1HD HIS 73 7.131 -16.475 11.698 647 HD2 HIS 73 2HD HIS 73 9.645 -13.720 13.527 648 HE1 HIS 73 1HE HIS 73 7.674 -17.432 13.926 649 HE2 HIS 73 2HE HIS 73 9.035 -15.685 15.075 650 H HIS 74 H HIS 74 5.285 -12.573 12.708 651 HA HIS 74 HA HIS 74 6.531 -11.525 14.869 652 HB2 HIS 74 2HB HIS 74 7.260 -9.574 13.370 653 HB3 HIS 74 1HB HIS 74 5.555 -9.184 13.159 654 HD1 HIS 74 1HD HIS 74 4.462 -7.778 15.005 655 HD2 HIS 74 2HD HIS 74 8.229 -9.180 16.071 656 HE1 HIS 74 1HE HIS 74 4.990 -6.690 17.169 657 HE2 HIS 74 2HE HIS 74 6.979 -7.972 17.953 658 H HIS 75 H HIS 75 3.914 -11.459 12.630 659 HA HIS 75 HA HIS 75 2.015 -12.037 14.683 660 HB2 HIS 75 2HB HIS 75 2.149 -9.490 14.506 661 HB3 HIS 75 1HB HIS 75 1.650 -9.647 12.831 662 HD1 HIS 75 1HD HIS 75 -0.796 -9.206 12.550 663 HD2 HIS 75 2HD HIS 75 0.088 -10.755 16.304 664 HE1 HIS 75 1HE HIS 75 -2.956 -9.219 13.807 665 HE2 HIS 75 2HE HIS 75 -2.437 -10.400 15.954 666 H HIS 76 H HIS 76 0.654 -13.525 13.706 667 HA HIS 76 HA HIS 76 1.244 -14.270 11.023 668 HB2 HIS 76 2HB HIS 76 0.606 -15.980 12.695 669 HB3 HIS 76 1HB HIS 76 -0.995 -15.259 12.824 670 HD1 HIS 76 1HD HIS 76 1.154 -17.262 10.470 671 HD2 HIS 76 2HD HIS 76 -2.791 -16.029 10.832 672 HE1 HIS 76 1HE HIS 76 -0.111 -18.532 8.714 673 HE2 HIS 76 2HE HIS 76 -2.425 -17.587 8.795 674 H HIS 77 H HIS 77 0.724 -12.905 9.541 675 HA HIS 77 HA HIS 77 -1.751 -11.451 9.643 676 HB2 HIS 77 2HB HIS 77 0.320 -10.347 8.805 677 HB3 HIS 77 1HB HIS 77 0.350 -11.477 7.456 678 HD1 HIS 77 1HD HIS 77 -1.725 -8.674 8.858 679 HD2 HIS 77 2HD HIS 77 -1.222 -10.756 5.309 680 HE1 HIS 77 1HE HIS 77 -3.167 -7.495 7.177 681 HE2 HIS 77 2HE HIS 77 -2.622 -8.623 4.991 Start of MODEL 13 1 H1 MET 1 1HT MET 1 -0.060 20.961 -5.107 2 H2 MET 1 2HT MET 1 -1.328 21.318 -4.086 3 H3 MET 1 3HT MET 1 0.023 22.302 -4.088 4 HA MET 1 HA MET 1 -1.807 23.309 -5.225 5 HB2 MET 1 2HB MET 1 0.432 22.432 -7.054 6 HB3 MET 1 1HB MET 1 -0.758 23.640 -7.511 7 HG2 MET 1 2HG MET 1 -0.034 25.057 -5.659 8 HG3 MET 1 1HG MET 1 1.149 23.843 -5.186 9 HE1 MET 1 2HE MET 1 2.258 22.833 -8.022 10 HE2 MET 1 3HE MET 1 3.289 23.203 -6.639 11 HE3 MET 1 1HE MET 1 3.642 23.901 -8.218 12 H LEU 2 H LEU 2 -0.796 20.566 -7.352 13 HA LEU 2 HA LEU 2 -3.565 20.445 -8.252 14 HB2 LEU 2 2HB LEU 2 -1.805 20.539 -9.971 15 HB3 LEU 2 1HB LEU 2 -1.077 19.091 -9.302 16 HG LEU 2 HG LEU 2 -3.154 17.837 -9.897 17 HD11 LEU 2 1HD1 LEU 2 -4.745 19.653 -9.932 18 HD12 LEU 2 2HD1 LEU 2 -4.724 18.826 -11.489 19 HD13 LEU 2 3HD1 LEU 2 -3.914 20.385 -11.306 20 HD21 LEU 2 3HD2 LEU 2 -1.800 19.225 -12.200 21 HD22 LEU 2 1HD2 LEU 2 -2.687 17.705 -12.284 22 HD23 LEU 2 2HD2 LEU 2 -1.187 17.800 -11.357 23 H LYS 3 H LYS 3 -4.857 18.821 -7.642 24 HA LYS 3 HA LYS 3 -3.711 16.859 -5.862 25 HB2 LYS 3 2HB LYS 3 -6.083 16.301 -5.281 26 HB3 LYS 3 1HB LYS 3 -5.634 17.966 -4.961 27 HG2 LYS 3 2HG LYS 3 -6.727 18.567 -7.163 28 HG3 LYS 3 1HG LYS 3 -7.331 16.917 -7.218 29 HD2 LYS 3 2HD LYS 3 -9.058 18.368 -6.331 30 HD3 LYS 3 1HD LYS 3 -8.476 17.311 -5.043 31 HE2 LYS 3 2HE LYS 3 -7.135 19.074 -4.115 32 HE3 LYS 3 1HE LYS 3 -7.487 20.123 -5.488 33 HZ1 LYS 3 3HZ LYS 3 -9.394 19.208 -3.406 34 HZ2 LYS 3 1HZ LYS 3 -9.821 20.153 -4.753 35 HZ3 LYS 3 2HZ LYS 3 -8.753 20.737 -3.592 36 H HIS 4 H HIS 4 -2.577 15.809 -7.583 37 HA HIS 4 HA HIS 4 -4.369 13.937 -8.983 38 HB2 HIS 4 2HB HIS 4 -2.818 15.577 -10.340 39 HB3 HIS 4 1HB HIS 4 -1.567 14.405 -9.947 40 HD1 HIS 4 1HD HIS 4 -1.581 12.168 -11.286 41 HD2 HIS 4 2HD HIS 4 -4.883 14.601 -11.990 42 HE1 HIS 4 1HE HIS 4 -2.773 11.162 -13.253 43 HE2 HIS 4 2HE HIS 4 -4.861 12.623 -13.555 44 H GLY 5 H GLY 5 -1.748 14.272 -6.788 45 HA2 GLY 5 2HA GLY 5 -1.934 11.476 -6.191 46 HA3 GLY 5 1HA GLY 5 -0.400 11.967 -6.901 47 H LYS 6 H LYS 6 -1.814 11.343 -4.091 48 HA LYS 6 HA LYS 6 0.004 13.180 -2.672 49 HB2 LYS 6 2HB LYS 6 -2.712 12.258 -1.718 50 HB3 LYS 6 1HB LYS 6 -1.567 13.154 -0.733 51 HG2 LYS 6 2HG LYS 6 -1.719 15.020 -2.384 52 HG3 LYS 6 1HG LYS 6 -2.997 14.121 -3.201 53 HD2 LYS 6 2HD LYS 6 -3.055 15.075 -0.332 54 HD3 LYS 6 1HD LYS 6 -3.910 15.813 -1.683 55 HE2 LYS 6 2HE LYS 6 -5.185 13.732 -1.996 56 HE3 LYS 6 1HE LYS 6 -4.338 13.015 -0.631 57 HZ1 LYS 6 3HZ LYS 6 -6.513 13.850 0.018 58 HZ2 LYS 6 1HZ LYS 6 -6.093 15.399 -0.496 59 HZ3 LYS 6 2HZ LYS 6 -5.308 14.694 0.813 60 H TYR 7 H TYR 7 0.929 12.306 -0.738 61 HA TYR 7 HA TYR 7 1.177 9.415 -0.996 62 HB2 TYR 7 2HB TYR 7 2.966 11.444 0.318 63 HB3 TYR 7 1HB TYR 7 3.222 9.705 0.381 64 HD1 TYR 7 2HD TYR 7 3.877 8.478 -1.623 65 HD2 TYR 7 1HD TYR 7 3.421 12.697 -1.672 66 HE1 TYR 7 2HE TYR 7 5.109 8.580 -3.745 67 HE2 TYR 7 1HE TYR 7 4.648 12.815 -3.795 68 HH TYR 7 HH TYR 7 6.340 11.399 -4.979 69 H VAL 8 H VAL 8 0.494 8.113 0.466 70 HA VAL 8 HA VAL 8 -0.088 9.100 3.153 71 HB VAL 8 HB VAL 8 -2.110 7.774 3.282 72 HG11 VAL 8 1HG1 VAL 8 -2.409 10.021 2.394 73 HG12 VAL 8 2HG1 VAL 8 -3.598 8.904 1.726 74 HG13 VAL 8 3HG1 VAL 8 -2.215 9.403 0.756 75 HG21 VAL 8 3HG2 VAL 8 -1.453 5.905 1.863 76 HG22 VAL 8 1HG2 VAL 8 -1.595 6.925 0.431 77 HG23 VAL 8 2HG2 VAL 8 -3.030 6.531 1.382 78 H TYR 9 H TYR 9 -0.489 6.979 4.524 79 HA TYR 9 HA TYR 9 1.600 5.079 3.740 80 HB2 TYR 9 2HB TYR 9 0.837 6.098 6.461 81 HB3 TYR 9 1HB TYR 9 1.857 4.686 6.213 82 HD1 TYR 9 1HD TYR 9 1.611 8.340 5.847 83 HD2 TYR 9 2HD TYR 9 4.159 4.942 5.614 84 HE1 TYR 9 1HE TYR 9 3.558 9.810 5.780 85 HE2 TYR 9 2HE TYR 9 6.124 6.418 5.547 86 HH TYR 9 HH TYR 9 6.711 8.711 5.022 87 H ILE 10 H ILE 10 1.060 3.021 3.771 88 HA ILE 10 HA ILE 10 -1.703 2.400 4.410 89 HB ILE 10 HB ILE 10 0.464 0.575 3.326 90 HG12 ILE 10 2HG1 ILE 10 -0.025 2.308 1.711 91 HG13 ILE 10 1HG1 ILE 10 -0.709 0.788 1.154 92 HG21 ILE 10 1HG2 ILE 10 -1.238 -0.710 4.465 93 HG22 ILE 10 2HG2 ILE 10 -1.338 -0.971 2.723 94 HG23 ILE 10 3HG2 ILE 10 -2.501 0.088 3.525 95 HD11 ILE 10 3HD1 ILE 10 -2.218 3.063 2.433 96 HD12 ILE 10 1HD1 ILE 10 -2.909 1.518 1.933 97 HD13 ILE 10 2HD1 ILE 10 -2.234 2.612 0.726 98 H ASP 11 H ASP 11 -2.317 1.608 6.221 99 HA ASP 11 HA ASP 11 -0.447 1.132 8.325 100 HB2 ASP 11 2HB ASP 11 -2.507 2.233 8.941 101 HB3 ASP 11 1HB ASP 11 -3.480 0.954 8.254 102 H LEU 12 H LEU 12 0.710 -0.458 7.575 103 HA LEU 12 HA LEU 12 -0.283 -3.081 7.012 104 HB2 LEU 12 2HB LEU 12 2.478 -2.269 7.925 105 HB3 LEU 12 1HB LEU 12 2.046 -3.717 7.043 106 HG LEU 12 HG LEU 12 1.940 -0.910 5.933 107 HD11 LEU 12 1HD1 LEU 12 3.891 -1.585 4.622 108 HD12 LEU 12 2HD1 LEU 12 3.935 -3.121 5.488 109 HD13 LEU 12 3HD1 LEU 12 4.224 -1.615 6.353 110 HD21 LEU 12 3HD2 LEU 12 0.308 -2.401 4.870 111 HD22 LEU 12 1HD2 LEU 12 1.575 -3.590 4.582 112 HD23 LEU 12 2HD2 LEU 12 1.627 -2.042 3.755 113 H ASN 13 H ASN 13 1.002 -1.249 9.619 114 HA ASN 13 HA ASN 13 0.801 -1.254 11.861 115 HB2 ASN 13 2HB ASN 13 -1.574 -2.006 11.288 116 HB3 ASN 13 1HB ASN 13 -1.047 -3.637 11.669 117 HD21 ASN 13 1HD2 ASN 13 -1.818 -0.524 12.880 118 HD22 ASN 13 2HD2 ASN 13 -1.890 -0.936 14.557 119 H ASN 14 H ASN 14 2.162 -3.644 10.187 120 HA ASN 14 HA ASN 14 2.890 -5.431 12.336 121 HB2 ASN 14 2HB ASN 14 4.184 -6.639 10.548 122 HB3 ASN 14 1HB ASN 14 2.463 -6.490 10.231 123 HD21 ASN 14 1HD2 ASN 14 2.751 -6.782 8.033 124 HD22 ASN 14 2HD2 ASN 14 3.452 -5.581 7.014 125 H GLY 15 H GLY 15 3.817 -2.598 12.202 126 HA2 GLY 15 2HA GLY 15 5.694 -1.837 13.490 127 HA3 GLY 15 1HA GLY 15 6.627 -3.185 12.859 128 H LYS 16 H LYS 16 5.324 -2.342 10.140 129 HA LYS 16 HA LYS 16 6.798 0.110 9.746 130 HB2 LYS 16 2HB LYS 16 7.623 -0.695 7.489 131 HB3 LYS 16 1HB LYS 16 8.421 -1.391 8.875 132 HG2 LYS 16 2HG LYS 16 6.197 -2.849 7.492 133 HG3 LYS 16 1HG LYS 16 7.846 -2.887 6.865 134 HD2 LYS 16 2HD LYS 16 8.642 -3.753 8.989 135 HD3 LYS 16 1HD LYS 16 7.004 -3.717 9.656 136 HE2 LYS 16 2HE LYS 16 7.576 -5.969 8.976 137 HE3 LYS 16 1HE LYS 16 6.326 -5.331 7.911 138 HZ1 LYS 16 3HZ LYS 16 8.092 -6.502 6.707 139 HZ2 LYS 16 1HZ LYS 16 9.224 -5.435 7.286 140 HZ3 LYS 16 2HZ LYS 16 8.043 -4.902 6.228 141 H TYR 17 H TYR 17 6.215 1.227 7.788 142 HA TYR 17 HA TYR 17 3.476 0.630 6.910 143 HB2 TYR 17 2HB TYR 17 4.532 3.249 8.006 144 HB3 TYR 17 1HB TYR 17 3.152 3.197 6.926 145 HD1 TYR 17 2HD TYR 17 4.190 1.247 9.954 146 HD2 TYR 17 1HD TYR 17 1.165 3.542 8.058 147 HE1 TYR 17 2HE TYR 17 2.715 0.872 11.869 148 HE2 TYR 17 1HE TYR 17 -0.315 3.176 9.979 149 HH TYR 17 HH TYR 17 -0.566 1.555 11.777 150 H VAL 18 H VAL 18 3.088 1.183 4.795 151 HA VAL 18 HA VAL 18 5.505 1.877 3.309 152 HB VAL 18 HB VAL 18 4.637 -0.236 2.525 153 HG11 VAL 18 1HG1 VAL 18 1.998 1.127 2.201 154 HG12 VAL 18 2HG1 VAL 18 2.414 -0.063 3.440 155 HG13 VAL 18 3HG1 VAL 18 2.359 -0.536 1.740 156 HG21 VAL 18 3HG2 VAL 18 5.379 1.206 0.722 157 HG22 VAL 18 1HG2 VAL 18 3.768 1.919 0.608 158 HG23 VAL 18 2HG2 VAL 18 4.009 0.219 0.205 159 H LYS 19 H LYS 19 5.666 3.646 2.147 160 HA LYS 19 HA LYS 19 3.452 5.525 2.331 161 HB2 LYS 19 2HB LYS 19 5.708 6.269 3.078 162 HB3 LYS 19 1HB LYS 19 6.314 5.986 1.454 163 HG2 LYS 19 2HG LYS 19 4.857 7.714 0.575 164 HG3 LYS 19 1HG LYS 19 4.166 7.968 2.177 165 HD2 LYS 19 2HD LYS 19 6.333 8.670 3.022 166 HD3 LYS 19 1HD LYS 19 7.061 8.385 1.436 167 HE2 LYS 19 2HE LYS 19 5.599 10.089 0.465 168 HE3 LYS 19 1HE LYS 19 4.857 10.355 2.034 169 HZ1 LYS 19 3HZ LYS 19 6.504 12.025 1.520 170 HZ2 LYS 19 1HZ LYS 19 7.707 10.858 1.369 171 HZ3 LYS 19 2HZ LYS 19 6.978 11.148 2.867 172 H VAL 20 H VAL 20 2.117 5.507 0.719 173 HA VAL 20 HA VAL 20 3.126 4.855 -1.959 174 HB VAL 20 HB VAL 20 1.816 2.994 -0.901 175 HG11 VAL 20 1HG1 VAL 20 0.285 4.250 0.450 176 HG12 VAL 20 2HG1 VAL 20 -0.605 3.199 -0.659 177 HG13 VAL 20 3HG1 VAL 20 -0.478 4.926 -0.989 178 HG21 VAL 20 3HG2 VAL 20 0.329 2.545 -2.796 179 HG22 VAL 20 1HG2 VAL 20 1.886 3.168 -3.340 180 HG23 VAL 20 2HG2 VAL 20 0.472 4.223 -3.310 181 H ARG 21 H ARG 21 2.099 5.943 -3.653 182 HA ARG 21 HA ARG 21 0.819 8.438 -2.903 183 HB2 ARG 21 2HB ARG 21 2.640 8.643 -4.522 184 HB3 ARG 21 1HB ARG 21 1.873 7.463 -5.578 185 HG2 ARG 21 2HG ARG 21 -0.061 9.023 -5.800 186 HG3 ARG 21 1HG ARG 21 0.870 10.215 -4.903 187 HD2 ARG 21 2HD ARG 21 1.801 8.938 -7.467 188 HD3 ARG 21 1HD ARG 21 0.910 10.448 -7.414 189 HE ARG 21 HE ARG 21 3.450 10.241 -5.951 190 HH11 ARG 21 1HH1 ARG 21 1.669 11.552 -8.751 191 HH12 ARG 21 2HH1 ARG 21 2.840 12.729 -9.098 192 HH21 ARG 21 1HH2 ARG 21 5.040 11.847 -6.482 193 HH22 ARG 21 2HH2 ARG 21 4.764 12.909 -7.803 194 H ILE 22 H ILE 22 -1.255 8.648 -3.008 195 HA ILE 22 HA ILE 22 -2.991 6.673 -4.210 196 HB ILE 22 HB ILE 22 -3.638 9.419 -3.082 197 HG12 ILE 22 2HG1 ILE 22 -2.696 8.052 -1.309 198 HG13 ILE 22 1HG1 ILE 22 -4.427 8.239 -1.051 199 HG21 ILE 22 1HG2 ILE 22 -5.958 8.619 -2.909 200 HG22 ILE 22 2HG2 ILE 22 -5.491 7.126 -3.723 201 HG23 ILE 22 3HG2 ILE 22 -5.377 8.669 -4.573 202 HD11 ILE 22 3HD1 ILE 22 -3.037 5.816 -2.150 203 HD12 ILE 22 1HD1 ILE 22 -4.785 5.994 -1.960 204 HD13 ILE 22 2HD1 ILE 22 -3.740 5.995 -0.544 205 H LEU 23 H LEU 23 -3.372 6.738 -6.351 206 HA LEU 23 HA LEU 23 -2.643 9.103 -7.826 207 HB2 LEU 23 2HB LEU 23 -3.766 6.457 -8.769 208 HB3 LEU 23 1HB LEU 23 -3.158 7.736 -9.798 209 HG LEU 23 HG LEU 23 -1.513 6.077 -7.883 210 HD11 LEU 23 1HD1 LEU 23 -1.683 6.068 -10.888 211 HD12 LEU 23 2HD1 LEU 23 -2.261 4.802 -9.803 212 HD13 LEU 23 3HD1 LEU 23 -0.536 5.139 -9.925 213 HD21 LEU 23 3HD2 LEU 23 -0.687 8.186 -9.873 214 HD22 LEU 23 1HD2 LEU 23 0.409 7.167 -8.940 215 HD23 LEU 23 2HD2 LEU 23 -0.616 8.338 -8.116 216 H LYS 24 H LYS 24 -4.067 10.618 -7.839 217 HA LYS 24 HA LYS 24 -6.913 9.943 -7.783 218 HB2 LYS 24 2HB LYS 24 -5.864 11.482 -6.037 219 HB3 LYS 24 1HB LYS 24 -5.534 12.602 -7.343 220 HG2 LYS 24 2HG LYS 24 -7.480 13.373 -6.285 221 HG3 LYS 24 1HG LYS 24 -8.020 12.613 -7.787 222 HD2 LYS 24 2HD LYS 24 -8.645 10.603 -6.555 223 HD3 LYS 24 1HD LYS 24 -8.059 11.327 -5.053 224 HE2 LYS 24 2HE LYS 24 -9.703 13.171 -5.409 225 HE3 LYS 24 1HE LYS 24 -10.364 12.250 -6.757 226 HZ1 LYS 24 3HZ LYS 24 -11.638 11.850 -4.749 227 HZ2 LYS 24 1HZ LYS 24 -10.257 11.403 -3.921 228 HZ3 LYS 24 2HZ LYS 24 -10.839 10.418 -5.122 229 H SER 25 H SER 25 -7.484 9.736 -9.883 230 HA SER 25 HA SER 25 -6.521 11.829 -11.659 231 HB2 SER 25 2HB SER 25 -7.054 8.965 -12.447 232 HB3 SER 25 1HB SER 25 -6.399 10.245 -13.471 233 HG SER 25 HG SER 25 -5.030 10.034 -11.191 234 H ARG 26 H ARG 26 -8.393 12.868 -10.826 235 HA ARG 26 HA ARG 26 -11.024 12.022 -11.400 236 HB2 ARG 26 2HB ARG 26 -10.460 13.804 -9.787 237 HB3 ARG 26 1HB ARG 26 -9.878 14.800 -11.114 238 HG2 ARG 26 2HG ARG 26 -12.042 15.574 -10.491 239 HG3 ARG 26 1HG ARG 26 -12.161 14.765 -12.055 240 HD2 ARG 26 2HD ARG 26 -12.997 12.757 -10.959 241 HD3 ARG 26 1HD ARG 26 -12.886 13.564 -9.389 242 HE ARG 26 HE ARG 26 -14.516 14.687 -11.531 243 HH11 ARG 26 1HH1 ARG 26 -14.369 13.185 -8.311 244 HH12 ARG 26 2HH1 ARG 26 -15.949 13.649 -7.892 245 HH21 ARG 26 1HH2 ARG 26 -16.687 15.266 -10.955 246 HH22 ARG 26 2HH2 ARG 26 -17.295 14.853 -9.429 247 H ASP 27 H ASP 27 -8.507 13.584 -13.098 248 HA ASP 27 HA ASP 27 -9.934 14.736 -15.232 249 HB2 ASP 27 2HB ASP 27 -7.774 15.138 -16.195 250 HB3 ASP 27 1HB ASP 27 -7.671 15.422 -14.463 251 H ASP 28 H ASP 28 -8.362 11.613 -14.789 252 HA ASP 28 HA ASP 28 -8.595 10.816 -17.513 253 HB2 ASP 28 2HB ASP 28 -7.008 9.692 -15.954 254 HB3 ASP 28 1HB ASP 28 -8.382 8.990 -15.097 255 H ASN 29 H ASN 29 -10.340 9.686 -14.677 256 HA ASN 29 HA ASN 29 -12.918 10.167 -15.610 257 HB2 ASN 29 2HB ASN 29 -12.555 8.316 -17.233 258 HB3 ASN 29 1HB ASN 29 -12.122 7.239 -15.907 259 HD21 ASN 29 1HD2 ASN 29 -13.773 5.781 -16.101 260 HD22 ASN 29 2HD2 ASN 29 -15.421 6.200 -15.812 261 H SER 30 H SER 30 -12.098 10.860 -13.318 262 HA SER 30 HA SER 30 -12.396 10.727 -11.039 263 HB2 SER 30 2HB SER 30 -14.552 8.853 -12.006 264 HB3 SER 30 1HB SER 30 -14.473 9.463 -10.339 265 HG SER 30 HG SER 30 -15.074 10.816 -12.747 266 H VAL 31 H VAL 31 -10.460 8.962 -12.171 267 HA VAL 31 HA VAL 31 -10.715 6.325 -11.046 268 HB VAL 31 HB VAL 31 -8.355 7.612 -12.431 269 HG11 VAL 31 1HG1 VAL 31 -7.554 5.337 -12.806 270 HG12 VAL 31 2HG1 VAL 31 -8.894 4.709 -11.849 271 HG13 VAL 31 3HG1 VAL 31 -7.663 5.721 -11.088 272 HG21 VAL 31 3HG2 VAL 31 -10.316 7.502 -13.869 273 HG22 VAL 31 1HG2 VAL 31 -10.461 5.776 -13.541 274 HG23 VAL 31 2HG2 VAL 31 -9.054 6.394 -14.408 275 H GLU 32 H GLU 32 -10.019 5.669 -9.159 276 HA GLU 32 HA GLU 32 -7.964 7.213 -7.760 277 HB2 GLU 32 2HB GLU 32 -10.270 5.725 -6.467 278 HB3 GLU 32 1HB GLU 32 -9.064 6.714 -5.645 279 HG2 GLU 32 2HG GLU 32 -9.895 8.698 -6.817 280 HG3 GLU 32 1HG GLU 32 -11.012 7.615 -7.655 281 H LYS 33 H LYS 33 -6.324 5.935 -8.370 282 HA LYS 33 HA LYS 33 -6.482 3.219 -7.368 283 HB2 LYS 33 2HB LYS 33 -5.081 3.979 -9.949 284 HB3 LYS 33 1HB LYS 33 -4.978 2.403 -9.179 285 HG2 LYS 33 2HG LYS 33 -7.563 2.387 -9.384 286 HG3 LYS 33 1HG LYS 33 -7.317 3.678 -10.550 287 HD2 LYS 33 2HD LYS 33 -7.451 1.645 -11.777 288 HD3 LYS 33 1HD LYS 33 -5.751 2.126 -11.777 289 HE2 LYS 33 2HE LYS 33 -5.987 -0.278 -11.366 290 HE3 LYS 33 1HE LYS 33 -5.302 0.522 -9.956 291 HZ1 LYS 33 3HZ LYS 33 -7.521 0.463 -8.910 292 HZ2 LYS 33 1HZ LYS 33 -7.037 -1.093 -9.347 293 HZ3 LYS 33 2HZ LYS 33 -8.162 -0.254 -10.270 294 H TYR 34 H TYR 34 -3.847 2.452 -7.605 295 HA TYR 34 HA TYR 34 -2.658 4.451 -5.859 296 HB2 TYR 34 2HB TYR 34 -2.786 1.479 -5.200 297 HB3 TYR 34 1HB TYR 34 -2.278 2.797 -4.135 298 HD1 TYR 34 2HD TYR 34 -4.033 4.565 -3.500 299 HD2 TYR 34 1HD TYR 34 -5.093 0.848 -5.266 300 HE1 TYR 34 2HE TYR 34 -6.417 4.919 -2.851 301 HE2 TYR 34 1HE TYR 34 -7.442 1.213 -4.620 302 HH TYR 34 HH TYR 34 -8.732 2.396 -3.127 303 H VAL 35 H VAL 35 -0.395 4.354 -5.808 304 HA VAL 35 HA VAL 35 0.596 3.673 -8.395 305 HB VAL 35 HB VAL 35 1.128 5.753 -7.016 306 HG11 VAL 35 1HG1 VAL 35 1.727 4.834 -4.979 307 HG12 VAL 35 2HG1 VAL 35 3.167 5.639 -5.629 308 HG13 VAL 35 3HG1 VAL 35 3.001 3.877 -5.714 309 HG21 VAL 35 3HG2 VAL 35 2.247 5.262 -9.150 310 HG22 VAL 35 1HG2 VAL 35 3.501 4.374 -8.285 311 HG23 VAL 35 2HG2 VAL 35 3.299 6.104 -8.017 312 H LEU 36 H LEU 36 2.864 2.702 -8.604 313 HA LEU 36 HA LEU 36 2.605 0.007 -7.841 314 HB2 LEU 36 2HB LEU 36 4.617 1.402 -9.578 315 HB3 LEU 36 1HB LEU 36 4.515 -0.323 -9.349 316 HG LEU 36 HG LEU 36 3.523 0.061 -11.420 317 HD11 LEU 36 1HD1 LEU 36 2.218 -1.431 -10.067 318 HD12 LEU 36 2HD1 LEU 36 1.216 -0.547 -11.220 319 HD13 LEU 36 3HD1 LEU 36 1.216 -0.087 -9.519 320 HD21 LEU 36 3HD2 LEU 36 3.290 2.489 -11.336 321 HD22 LEU 36 1HD2 LEU 36 1.921 2.335 -10.234 322 HD23 LEU 36 2HD2 LEU 36 1.790 1.745 -11.888 323 H THR 37 H THR 37 4.090 2.428 -6.103 324 HA THR 37 HA THR 37 6.474 0.828 -5.587 325 HB THR 37 HB THR 37 6.788 3.302 -5.793 326 HG1 THR 37 1HG THR 37 8.122 3.515 -4.125 327 HG21 THR 37 3HG2 THR 37 6.078 4.763 -3.920 328 HG22 THR 37 1HG2 THR 37 5.137 3.424 -3.269 329 HG23 THR 37 2HG2 THR 37 4.717 4.131 -4.840 330 H SER 38 H SER 38 6.991 0.022 -3.623 331 HA SER 38 HA SER 38 4.863 -0.105 -1.633 332 HB2 SER 38 2HB SER 38 6.564 -2.419 -2.569 333 HB3 SER 38 1HB SER 38 5.292 -2.488 -1.350 334 HG SER 38 HG SER 38 4.112 -1.410 -3.328 335 H HIS 39 H HIS 39 7.305 1.486 -1.865 336 HA HIS 39 HA HIS 39 9.368 0.465 -0.220 337 HB2 HIS 39 2HB HIS 39 8.675 3.274 -1.040 338 HB3 HIS 39 1HB HIS 39 9.990 2.943 0.081 339 HD1 HIS 39 1HD HIS 39 11.821 3.706 -1.480 340 HD2 HIS 39 2HD HIS 39 9.459 0.707 -3.099 341 HE1 HIS 39 1HE HIS 39 13.004 2.985 -3.588 342 HE2 HIS 39 2HE HIS 39 11.523 1.181 -4.575 343 H VAL 40 H VAL 40 9.431 0.094 1.823 344 HA VAL 40 HA VAL 40 7.344 1.207 3.485 345 HB VAL 40 HB VAL 40 8.125 -0.540 5.203 346 HG11 VAL 40 1HG1 VAL 40 6.052 -0.716 3.992 347 HG12 VAL 40 2HG1 VAL 40 6.819 -2.305 4.080 348 HG13 VAL 40 3HG1 VAL 40 6.891 -1.372 2.586 349 HG21 VAL 40 3HG2 VAL 40 9.261 -2.484 4.359 350 HG22 VAL 40 1HG2 VAL 40 10.278 -1.080 4.063 351 HG23 VAL 40 2HG2 VAL 40 9.346 -1.809 2.736 352 H SER 41 H SER 41 7.587 2.232 5.286 353 HA SER 41 HA SER 41 10.200 3.385 5.883 354 HB2 SER 41 2HB SER 41 7.410 4.300 6.664 355 HB3 SER 41 1HB SER 41 8.903 5.228 6.807 356 HG SER 41 HG SER 41 8.278 4.206 4.333 357 H LYS 42 H LYS 42 10.934 3.163 8.001 358 HA LYS 42 HA LYS 42 9.898 0.820 9.351 359 HB2 LYS 42 2HB LYS 42 12.026 0.881 10.589 360 HB3 LYS 42 1HB LYS 42 12.248 0.877 8.845 361 HG2 LYS 42 2HG LYS 42 12.594 3.326 8.927 362 HG3 LYS 42 1HG LYS 42 12.495 3.253 10.681 363 HD2 LYS 42 2HD LYS 42 14.818 3.292 10.056 364 HD3 LYS 42 1HD LYS 42 14.425 1.681 10.656 365 HE2 LYS 42 2HE LYS 42 14.337 0.798 8.416 366 HE3 LYS 42 1HE LYS 42 14.491 2.414 7.727 367 HZ1 LYS 42 3HZ LYS 42 16.604 1.286 7.634 368 HZ2 LYS 42 1HZ LYS 42 16.580 0.985 9.303 369 HZ3 LYS 42 2HZ LYS 42 16.681 2.562 8.709 370 H ASN 43 H ASN 43 8.866 3.815 9.651 371 HA ASN 43 HA ASN 43 8.416 3.507 12.536 372 HB2 ASN 43 2HB ASN 43 9.205 6.117 11.206 373 HB3 ASN 43 1HB ASN 43 8.585 5.980 12.844 374 HD21 ASN 43 1HD2 ASN 43 11.262 5.492 10.756 375 HD22 ASN 43 2HD2 ASN 43 12.435 5.154 11.974 376 H ARG 44 H ARG 44 6.435 4.265 13.272 377 HA ARG 44 HA ARG 44 4.374 4.365 11.271 378 HB2 ARG 44 2HB ARG 44 4.123 4.774 14.251 379 HB3 ARG 44 1HB ARG 44 2.818 4.435 13.129 380 HG2 ARG 44 2HG ARG 44 3.952 2.252 12.656 381 HG3 ARG 44 1HG ARG 44 5.014 2.605 14.015 382 HD2 ARG 44 2HD ARG 44 3.019 2.842 15.464 383 HD3 ARG 44 1HD ARG 44 2.009 2.367 14.104 384 HE ARG 44 HE ARG 44 4.084 0.673 15.278 385 HH11 ARG 44 1HH1 ARG 44 0.886 0.952 13.722 386 HH12 ARG 44 2HH1 ARG 44 0.406 -0.626 14.105 387 HH21 ARG 44 1HH2 ARG 44 3.453 -1.521 15.722 388 HH22 ARG 44 2HH2 ARG 44 1.944 -2.105 15.236 389 HA PRO 45 HA PRO 45 4.327 8.819 11.413 390 HB2 PRO 45 2HB PRO 45 2.432 9.232 9.584 391 HB3 PRO 45 1HB PRO 45 4.053 8.723 9.123 392 HG2 PRO 45 2HG PRO 45 1.536 7.143 9.222 393 HG3 PRO 45 1HG PRO 45 2.942 6.952 8.165 394 HD2 PRO 45 2HD PRO 45 2.358 5.424 10.444 395 HD3 PRO 45 1HD PRO 45 3.898 5.475 9.569 396 H LYS 46 H LYS 46 3.333 10.016 12.871 397 HA LYS 46 HA LYS 46 0.843 9.200 14.063 398 HB2 LYS 46 2HB LYS 46 2.852 10.181 15.285 399 HB3 LYS 46 1HB LYS 46 2.464 11.721 14.554 400 HG2 LYS 46 2HG LYS 46 0.576 10.226 16.362 401 HG3 LYS 46 1HG LYS 46 1.776 11.373 16.944 402 HD2 LYS 46 2HD LYS 46 0.718 13.135 15.611 403 HD3 LYS 46 1HD LYS 46 -0.484 11.974 15.044 404 HE2 LYS 46 2HE LYS 46 -1.260 11.632 17.322 405 HE3 LYS 46 1HE LYS 46 -0.025 12.737 17.925 406 HZ1 LYS 46 3HZ LYS 46 -2.197 13.770 17.742 407 HZ2 LYS 46 1HZ LYS 46 -2.228 13.495 16.083 408 HZ3 LYS 46 2HZ LYS 46 -1.084 14.538 16.758 409 H ASN 47 H ASN 47 2.030 12.087 12.381 410 HA ASN 47 HA ASN 47 -0.742 12.667 11.690 411 HB2 ASN 47 2HB ASN 47 1.488 14.482 12.364 412 HB3 ASN 47 1HB ASN 47 0.434 15.015 11.058 413 HD21 ASN 47 1HD2 ASN 47 -0.204 16.739 12.418 414 HD22 ASN 47 2HD2 ASN 47 -1.360 16.502 13.682 415 H ALA 48 H ALA 48 -0.696 11.165 10.081 416 HA ALA 48 HA ALA 48 -0.292 12.327 7.541 417 HB1 ALA 48 1HB ALA 48 1.064 10.505 6.626 418 HB2 ALA 48 2HB ALA 48 1.131 9.742 8.201 419 HB3 ALA 48 3HB ALA 48 1.962 11.284 7.938 420 H ILE 49 H ILE 49 -1.357 10.785 5.945 421 HA ILE 49 HA ILE 49 -3.673 9.701 7.281 422 HB ILE 49 HB ILE 49 -3.043 9.799 4.320 423 HG12 ILE 49 2HG1 ILE 49 -3.150 12.076 5.259 424 HG13 ILE 49 1HG1 ILE 49 -4.513 11.771 4.194 425 HG21 ILE 49 1HG2 ILE 49 -5.661 9.313 5.739 426 HG22 ILE 49 2HG2 ILE 49 -4.708 8.117 4.875 427 HG23 ILE 49 3HG2 ILE 49 -5.459 9.452 3.989 428 HD11 ILE 49 3HD1 ILE 49 -5.939 11.405 6.167 429 HD12 ILE 49 1HD1 ILE 49 -5.202 13.007 6.155 430 HD13 ILE 49 2HD1 ILE 49 -4.556 11.750 7.207 431 H VAL 50 H VAL 50 -3.798 7.635 7.837 432 HA VAL 50 HA VAL 50 -2.126 5.736 6.374 433 HB VAL 50 HB VAL 50 -2.097 4.270 8.360 434 HG11 VAL 50 1HG1 VAL 50 -0.248 5.758 8.066 435 HG12 VAL 50 2HG1 VAL 50 -0.621 5.648 9.787 436 HG13 VAL 50 3HG1 VAL 50 -1.122 7.067 8.860 437 HG21 VAL 50 3HG2 VAL 50 -4.189 4.985 9.399 438 HG22 VAL 50 1HG2 VAL 50 -3.467 6.549 9.781 439 HG23 VAL 50 2HG2 VAL 50 -2.840 5.076 10.532 440 H ILE 51 H ILE 51 -3.041 4.066 5.430 441 HA ILE 51 HA ILE 51 -5.924 3.594 5.907 442 HB ILE 51 HB ILE 51 -4.463 3.257 3.260 443 HG12 ILE 51 2HG1 ILE 51 -6.362 5.485 4.063 444 HG13 ILE 51 1HG1 ILE 51 -4.617 5.655 3.912 445 HG21 ILE 51 1HG2 ILE 51 -6.389 1.807 3.539 446 HG22 ILE 51 2HG2 ILE 51 -6.725 3.045 2.328 447 HG23 ILE 51 3HG2 ILE 51 -7.400 3.191 3.952 448 HD11 ILE 51 3HD1 ILE 51 -6.532 4.974 1.685 449 HD12 ILE 51 1HD1 ILE 51 -4.784 5.134 1.521 450 HD13 ILE 51 2HD1 ILE 51 -5.759 6.535 1.957 451 H LYS 52 H LYS 52 -6.177 1.590 6.749 452 HA LYS 52 HA LYS 52 -4.096 -0.355 6.907 453 HB2 LYS 52 2HB LYS 52 -6.015 -0.086 8.522 454 HB3 LYS 52 1HB LYS 52 -7.067 -0.771 7.305 455 HG2 LYS 52 2HG LYS 52 -5.906 -2.901 7.441 456 HG3 LYS 52 1HG LYS 52 -4.736 -2.214 8.572 457 HD2 LYS 52 2HD LYS 52 -6.630 -1.714 10.122 458 HD3 LYS 52 1HD LYS 52 -7.701 -2.563 9.019 459 HE2 LYS 52 2HE LYS 52 -5.299 -3.805 10.363 460 HE3 LYS 52 1HE LYS 52 -6.945 -3.909 10.977 461 HZ1 LYS 52 3HZ LYS 52 -5.955 -5.041 8.396 462 HZ2 LYS 52 1HZ LYS 52 -7.563 -5.092 8.919 463 HZ3 LYS 52 2HZ LYS 52 -6.360 -5.879 9.776 464 H MET 53 H MET 53 -3.808 -2.322 5.880 465 HA MET 53 HA MET 53 -3.955 -2.645 3.140 466 HB2 MET 53 2HB MET 53 -4.282 -4.885 5.138 467 HB3 MET 53 1HB MET 53 -3.892 -5.102 3.452 468 HG2 MET 53 2HG MET 53 -1.736 -4.026 3.826 469 HG3 MET 53 1HG MET 53 -2.158 -3.784 5.528 470 HE1 MET 53 3HE MET 53 0.457 -6.758 5.709 471 HE2 MET 53 1HE MET 53 0.087 -5.126 6.258 472 HE3 MET 53 2HE MET 53 0.500 -5.416 4.565 473 H ASP 54 H ASP 54 -6.294 -3.557 5.485 474 HA ASP 54 HA ASP 54 -8.192 -5.082 4.273 475 HB2 ASP 54 2HB ASP 54 -8.127 -4.441 6.635 476 HB3 ASP 54 1HB ASP 54 -8.622 -2.817 6.206 477 H ASN 55 H ASN 55 -7.711 -1.635 3.835 478 HA ASN 55 HA ASN 55 -10.284 -1.321 2.488 479 HB2 ASN 55 2HB ASN 55 -9.508 0.325 4.192 480 HB3 ASN 55 1HB ASN 55 -8.154 0.719 3.152 481 HD21 ASN 55 1HD2 ASN 55 -8.518 2.018 1.334 482 HD22 ASN 55 2HD2 ASN 55 -9.987 2.859 1.080 483 H LEU 56 H LEU 56 -7.191 -2.222 1.573 484 HA LEU 56 HA LEU 56 -7.316 -0.798 -0.975 485 HB2 LEU 56 2HB LEU 56 -5.055 -2.337 0.316 486 HB3 LEU 56 1HB LEU 56 -4.995 -1.774 -1.335 487 HG LEU 56 HG LEU 56 -3.719 -0.290 0.014 488 HD11 LEU 56 1HD1 LEU 56 -6.316 1.040 -0.692 489 HD12 LEU 56 2HD1 LEU 56 -4.936 0.777 -1.756 490 HD13 LEU 56 3HD1 LEU 56 -4.788 1.854 -0.372 491 HD21 LEU 56 3HD2 LEU 56 -4.780 1.025 1.877 492 HD22 LEU 56 1HD2 LEU 56 -4.593 -0.706 2.205 493 HD23 LEU 56 2HD2 LEU 56 -6.159 -0.055 1.742 494 HA PRO 57 HA PRO 57 -8.735 -4.371 -3.206 495 HB2 PRO 57 2HB PRO 57 -6.948 -3.515 -5.393 496 HB3 PRO 57 1HB PRO 57 -8.693 -3.739 -5.413 497 HG2 PRO 57 2HG PRO 57 -7.600 -1.300 -5.461 498 HG3 PRO 57 1HG PRO 57 -9.099 -1.623 -4.569 499 HD2 PRO 57 2HD PRO 57 -6.315 -1.288 -3.545 500 HD3 PRO 57 1HD PRO 57 -7.856 -0.724 -2.861 501 H ILE 58 H ILE 58 -7.957 -6.308 -4.245 502 HA ILE 58 HA ILE 58 -5.702 -7.397 -3.052 503 HB ILE 58 HB ILE 58 -5.971 -9.344 -4.622 504 HG12 ILE 58 2HG1 ILE 58 -8.254 -9.432 -5.816 505 HG13 ILE 58 1HG1 ILE 58 -8.278 -7.684 -5.665 506 HG21 ILE 58 1HG2 ILE 58 -8.351 -8.460 -3.034 507 HG22 ILE 58 2HG2 ILE 58 -6.960 -9.375 -2.462 508 HG23 ILE 58 3HG2 ILE 58 -8.078 -10.098 -3.619 509 HD11 ILE 58 3HD1 ILE 58 -6.282 -7.536 -7.041 510 HD12 ILE 58 1HD1 ILE 58 -7.580 -8.387 -7.878 511 HD13 ILE 58 2HD1 ILE 58 -6.232 -9.296 -7.178 512 H GLU 59 H GLU 59 -5.996 -5.646 -5.956 513 HA GLU 59 HA GLU 59 -3.721 -6.342 -7.413 514 HB2 GLU 59 2HB GLU 59 -4.702 -3.532 -6.922 515 HB3 GLU 59 1HB GLU 59 -3.760 -4.101 -8.285 516 HG2 GLU 59 2HG GLU 59 -5.670 -5.425 -9.031 517 HG3 GLU 59 1HG GLU 59 -6.604 -4.824 -7.663 518 H VAL 60 H VAL 60 -4.185 -3.918 -4.937 519 HA VAL 60 HA VAL 60 -1.473 -3.081 -4.817 520 HB VAL 60 HB VAL 60 -3.657 -2.647 -2.774 521 HG11 VAL 60 1HG1 VAL 60 -2.423 -0.602 -2.208 522 HG12 VAL 60 2HG1 VAL 60 -1.169 -1.052 -3.366 523 HG13 VAL 60 3HG1 VAL 60 -1.466 -2.063 -1.948 524 HG21 VAL 60 3HG2 VAL 60 -4.483 -1.936 -4.929 525 HG22 VAL 60 1HG2 VAL 60 -3.011 -0.999 -5.215 526 HG23 VAL 60 2HG2 VAL 60 -4.128 -0.530 -3.928 527 H LYS 61 H LYS 61 -3.559 -5.088 -2.813 528 HA LYS 61 HA LYS 61 -1.641 -5.551 -0.827 529 HB2 LYS 61 2HB LYS 61 -4.034 -7.229 -1.556 530 HB3 LYS 61 1HB LYS 61 -3.065 -7.454 -0.104 531 HG2 LYS 61 2HG LYS 61 -3.622 -5.095 0.537 532 HG3 LYS 61 1HG LYS 61 -4.742 -5.059 -0.824 533 HD2 LYS 61 2HD LYS 61 -4.864 -6.980 1.501 534 HD3 LYS 61 1HD LYS 61 -5.868 -5.550 1.305 535 HE2 LYS 61 2HE LYS 61 -6.833 -6.512 -0.735 536 HE3 LYS 61 1HE LYS 61 -5.806 -7.930 -0.551 537 HZ1 LYS 61 3HZ LYS 61 -8.024 -8.320 0.285 538 HZ2 LYS 61 1HZ LYS 61 -7.878 -7.067 1.396 539 HZ3 LYS 61 2HZ LYS 61 -6.903 -8.440 1.519 540 H ASP 62 H ASP 62 -2.270 -7.287 -3.828 541 HA ASP 62 HA ASP 62 -0.572 -9.489 -3.451 542 HB2 ASP 62 2HB ASP 62 -2.103 -9.248 -5.390 543 HB3 ASP 62 1HB ASP 62 -1.126 -7.922 -5.989 544 H LYS 63 H LYS 63 0.017 -6.284 -4.749 545 HA LYS 63 HA LYS 63 2.748 -6.716 -5.285 546 HB2 LYS 63 2HB LYS 63 1.156 -4.147 -5.064 547 HB3 LYS 63 1HB LYS 63 2.769 -4.264 -5.767 548 HG2 LYS 63 2HG LYS 63 1.950 -5.779 -7.474 549 HG3 LYS 63 1HG LYS 63 0.356 -5.784 -6.748 550 HD2 LYS 63 2HD LYS 63 0.204 -3.332 -7.281 551 HD3 LYS 63 1HD LYS 63 1.727 -3.495 -8.168 552 HE2 LYS 63 2HE LYS 63 0.686 -5.304 -9.533 553 HE3 LYS 63 1HE LYS 63 -0.823 -5.018 -8.686 554 HZ1 LYS 63 3HZ LYS 63 0.555 -3.104 -10.507 555 HZ2 LYS 63 1HZ LYS 63 -0.902 -2.773 -9.700 556 HZ3 LYS 63 2HZ LYS 63 -0.800 -3.991 -10.827 557 H LEU 64 H LEU 64 1.041 -5.257 -2.573 558 HA LEU 64 HA LEU 64 3.263 -4.415 -1.056 559 HB2 LEU 64 2HB LEU 64 0.591 -5.452 -0.094 560 HB3 LEU 64 1HB LEU 64 1.754 -4.624 0.907 561 HG LEU 64 HG LEU 64 0.266 -3.413 -1.425 562 HD11 LEU 64 1HD1 LEU 64 -0.059 -3.032 1.550 563 HD12 LEU 64 2HD1 LEU 64 -1.194 -3.843 0.475 564 HD13 LEU 64 3HD1 LEU 64 -0.895 -2.114 0.302 565 HD21 LEU 64 3HD2 LEU 64 2.102 -2.157 0.596 566 HD22 LEU 64 1HD2 LEU 64 1.193 -1.288 -0.642 567 HD23 LEU 64 2HD2 LEU 64 2.474 -2.402 -1.121 568 H THR 65 H THR 65 1.442 -7.449 -0.990 569 HA THR 65 HA THR 65 2.790 -8.710 1.064 570 HB THR 65 HB THR 65 1.360 -9.921 -1.308 571 HG1 THR 65 1HG THR 65 -0.060 -8.778 -0.206 572 HG21 THR 65 3HG2 THR 65 1.099 -11.946 0.082 573 HG22 THR 65 1HG2 THR 65 2.111 -11.220 1.332 574 HG23 THR 65 2HG2 THR 65 2.797 -11.606 -0.241 575 H ARG 66 H ARG 66 3.402 -8.730 -2.392 576 HA ARG 66 HA ARG 66 5.481 -10.689 -2.170 577 HB2 ARG 66 2HB ARG 66 4.482 -9.072 -4.490 578 HB3 ARG 66 1HB ARG 66 5.704 -10.336 -4.607 579 HG2 ARG 66 2HG ARG 66 4.182 -12.017 -3.984 580 HG3 ARG 66 1HG ARG 66 2.994 -10.836 -3.434 581 HD2 ARG 66 2HD ARG 66 2.297 -11.764 -5.533 582 HD3 ARG 66 1HD ARG 66 2.721 -10.074 -5.745 583 HE ARG 66 HE ARG 66 4.975 -11.571 -6.345 584 HH11 ARG 66 1HH1 ARG 66 1.747 -10.875 -7.652 585 HH12 ARG 66 2HH1 ARG 66 2.124 -11.440 -9.216 586 HH21 ARG 66 1HH2 ARG 66 5.486 -12.264 -8.532 587 HH22 ARG 66 2HH2 ARG 66 4.259 -12.197 -9.721 588 H PHE 67 H PHE 67 5.391 -7.266 -1.971 589 HA PHE 67 HA PHE 67 8.154 -7.007 -2.814 590 HB2 PHE 67 2HB PHE 67 6.524 -5.186 -3.243 591 HB3 PHE 67 1HB PHE 67 6.412 -4.910 -1.511 592 HD1 PHE 67 2HD PHE 67 8.323 -3.801 -0.274 593 HD2 PHE 67 1HD PHE 67 8.469 -4.525 -4.496 594 HE1 PHE 67 2HE PHE 67 10.201 -2.281 -0.469 595 HE2 PHE 67 1HE PHE 67 10.364 -2.982 -4.670 596 HZ PHE 67 HZ PHE 67 11.237 -1.856 -2.657 597 H PHE 68 H PHE 68 6.400 -6.496 0.236 598 HA PHE 68 HA PHE 68 9.036 -6.683 1.532 599 HB2 PHE 68 2HB PHE 68 8.164 -5.108 3.269 600 HB3 PHE 68 1HB PHE 68 8.378 -4.408 1.674 601 HD1 PHE 68 1HD PHE 68 5.876 -5.708 4.064 602 HD2 PHE 68 2HD PHE 68 6.545 -3.440 0.529 603 HE1 PHE 68 1HE PHE 68 3.556 -4.937 4.118 604 HE2 PHE 68 2HE PHE 68 4.233 -2.668 0.584 605 HZ PHE 68 HZ PHE 68 2.729 -3.415 2.377 606 H LEU 69 H LEU 69 5.791 -7.863 1.609 607 HA LEU 69 HA LEU 69 5.857 -8.445 4.394 608 HB2 LEU 69 2HB LEU 69 3.760 -7.969 3.128 609 HB3 LEU 69 1HB LEU 69 3.979 -9.517 2.328 610 HG LEU 69 HG LEU 69 3.698 -10.679 4.465 611 HD11 LEU 69 1HD1 LEU 69 2.905 -9.449 6.432 612 HD12 LEU 69 2HD1 LEU 69 3.169 -7.925 5.582 613 HD13 LEU 69 3HD1 LEU 69 4.537 -8.971 5.972 614 HD21 LEU 69 3HD2 LEU 69 1.326 -10.259 4.740 615 HD22 LEU 69 1HD2 LEU 69 1.756 -10.262 3.034 616 HD23 LEU 69 2HD2 LEU 69 1.467 -8.736 3.866 617 H LEU 70 H LEU 70 5.469 -10.687 1.653 618 HA LEU 70 HA LEU 70 5.885 -12.944 1.451 619 HB2 LEU 70 2HB LEU 70 8.549 -11.995 2.536 620 HB3 LEU 70 1HB LEU 70 8.292 -13.565 1.823 621 HG LEU 70 HG LEU 70 9.365 -12.306 0.198 622 HD11 LEU 70 1HD1 LEU 70 6.462 -12.247 -0.528 623 HD12 LEU 70 2HD1 LEU 70 7.589 -13.589 -0.723 624 HD13 LEU 70 3HD1 LEU 70 7.815 -12.110 -1.650 625 HD21 LEU 70 3HD2 LEU 70 9.110 -10.078 1.114 626 HD22 LEU 70 1HD2 LEU 70 7.407 -10.060 0.660 627 HD23 LEU 70 2HD2 LEU 70 8.649 -10.088 -0.590 628 H GLU 71 H GLU 71 4.632 -12.329 3.932 629 HA GLU 71 HA GLU 71 6.102 -13.715 5.988 630 HB2 GLU 71 2HB GLU 71 4.957 -11.544 6.394 631 HB3 GLU 71 1HB GLU 71 3.418 -12.360 6.164 632 HG2 GLU 71 2HG GLU 71 3.847 -13.778 8.044 633 HG3 GLU 71 1HG GLU 71 5.442 -13.067 8.252 634 H HIS 72 H HIS 72 5.891 -15.769 6.380 635 HA HIS 72 HA HIS 72 3.344 -17.142 6.051 636 HB2 HIS 72 2HB HIS 72 5.942 -18.154 4.826 637 HB3 HIS 72 1HB HIS 72 4.435 -19.041 4.898 638 HD1 HIS 72 1HD HIS 72 2.808 -18.682 2.984 639 HD2 HIS 72 2HD HIS 72 6.000 -16.031 2.911 640 HE1 HIS 72 1HE HIS 72 2.673 -17.524 0.773 641 HE2 HIS 72 2HE HIS 72 4.828 -16.254 0.639 642 H HIS 73 H HIS 73 3.950 -19.587 6.766 643 HA HIS 73 HA HIS 73 4.666 -21.084 8.197 644 HB2 HIS 73 2HB HIS 73 6.947 -20.448 7.542 645 HB3 HIS 73 1HB HIS 73 6.973 -19.239 8.812 646 HD1 HIS 73 1HD HIS 73 8.151 -20.015 10.845 647 HD2 HIS 73 2HD HIS 73 6.471 -23.176 8.754 648 HE1 HIS 73 1HE HIS 73 8.825 -22.092 12.102 649 HE2 HIS 73 2HE HIS 73 8.067 -23.957 10.614 650 H HIS 74 H HIS 74 4.993 -17.912 9.822 651 HA HIS 74 HA HIS 74 4.268 -19.220 12.285 652 HB2 HIS 74 2HB HIS 74 4.361 -17.062 13.465 653 HB3 HIS 74 1HB HIS 74 5.797 -17.317 12.496 654 HD1 HIS 74 1HD HIS 74 6.563 -15.126 11.663 655 HD2 HIS 74 2HD HIS 74 2.414 -15.348 11.705 656 HE1 HIS 74 1HE HIS 74 5.755 -12.877 10.945 657 HE2 HIS 74 2HE HIS 74 3.280 -13.126 10.716 658 H HIS 75 H HIS 75 2.553 -17.971 9.783 659 HA HIS 75 HA HIS 75 0.121 -18.889 10.984 660 HB2 HIS 75 2HB HIS 75 0.344 -16.150 9.648 661 HB3 HIS 75 1HB HIS 75 -1.161 -17.007 9.861 662 HD1 HIS 75 1HD HIS 75 0.264 -14.200 11.142 663 HD2 HIS 75 2HD HIS 75 -1.177 -17.636 12.989 664 HE1 HIS 75 1HE HIS 75 -0.320 -13.523 13.466 665 HE2 HIS 75 2HE HIS 75 -0.770 -15.670 14.616 666 H HIS 76 H HIS 76 -1.292 -19.477 9.202 667 HA HIS 76 HA HIS 76 0.163 -19.516 6.677 668 HB2 HIS 76 2HB HIS 76 0.092 -21.778 7.792 669 HB3 HIS 76 1HB HIS 76 -1.662 -21.730 7.657 670 HD1 HIS 76 1HD HIS 76 -2.580 -22.774 5.582 671 HD2 HIS 76 2HD HIS 76 1.377 -21.627 5.128 672 HE1 HIS 76 1HE HIS 76 -1.889 -23.622 3.333 673 HE2 HIS 76 2HE HIS 76 0.410 -22.717 2.992 674 H HIS 77 H HIS 77 -0.840 -17.735 5.937 675 HA HIS 77 HA HIS 77 -3.587 -18.102 5.095 676 HB2 HIS 77 2HB HIS 77 -3.626 -16.721 7.219 677 HB3 HIS 77 1HB HIS 77 -2.637 -15.524 6.387 678 HD1 HIS 77 1HD HIS 77 -3.840 -14.095 4.515 679 HD2 HIS 77 2HD HIS 77 -6.319 -16.745 6.528 680 HE1 HIS 77 1HE HIS 77 -6.156 -13.428 3.909 681 HE2 HIS 77 2HE HIS 77 -7.646 -14.926 5.263 Start of MODEL 14 1 H1 MET 1 1HT MET 1 -1.188 17.648 1.699 2 H2 MET 1 2HT MET 1 0.343 17.254 2.287 3 H3 MET 1 3HT MET 1 -0.821 16.047 2.070 4 HA MET 1 HA MET 1 0.320 17.701 -0.079 5 HB2 MET 1 2HB MET 1 0.975 14.866 0.753 6 HB3 MET 1 1HB MET 1 1.406 15.528 -0.814 7 HG2 MET 1 2HG MET 1 3.309 15.598 0.669 8 HG3 MET 1 1HG MET 1 2.779 17.236 0.298 9 HE1 MET 1 2HE MET 1 4.183 18.248 2.309 10 HE2 MET 1 3HE MET 1 4.799 16.630 2.633 11 HE3 MET 1 1HE MET 1 4.141 17.605 3.947 12 H LEU 2 H LEU 2 -1.349 18.098 -1.276 13 HA LEU 2 HA LEU 2 -2.573 15.997 -2.730 14 HB2 LEU 2 2HB LEU 2 -4.003 15.787 -0.813 15 HB3 LEU 2 1HB LEU 2 -4.208 17.517 -0.705 16 HG LEU 2 HG LEU 2 -5.525 17.504 -2.787 17 HD11 LEU 2 1HD1 LEU 2 -4.541 15.568 -3.885 18 HD12 LEU 2 2HD1 LEU 2 -6.294 15.433 -3.777 19 HD13 LEU 2 3HD1 LEU 2 -5.277 14.508 -2.677 20 HD21 LEU 2 3HD2 LEU 2 -6.667 17.344 -0.664 21 HD22 LEU 2 1HD2 LEU 2 -6.504 15.587 -0.678 22 HD23 LEU 2 2HD2 LEU 2 -7.510 16.396 -1.884 23 H LYS 3 H LYS 3 -2.680 16.768 -4.642 24 HA LYS 3 HA LYS 3 -4.193 19.065 -5.170 25 HB2 LYS 3 2HB LYS 3 -2.563 20.322 -6.600 26 HB3 LYS 3 1HB LYS 3 -2.085 20.276 -4.924 27 HG2 LYS 3 2HG LYS 3 -0.098 20.003 -6.062 28 HG3 LYS 3 1HG LYS 3 -0.528 18.350 -5.646 29 HD2 LYS 3 2HD LYS 3 -1.497 18.094 -7.933 30 HD3 LYS 3 1HD LYS 3 -0.931 19.718 -8.312 31 HE2 LYS 3 2HE LYS 3 0.774 17.336 -7.592 32 HE3 LYS 3 1HE LYS 3 0.615 18.084 -9.174 33 HZ1 LYS 3 3HZ LYS 3 2.643 18.776 -8.079 34 HZ2 LYS 3 1HZ LYS 3 1.786 19.387 -6.770 35 HZ3 LYS 3 2HZ LYS 3 1.633 20.085 -8.296 36 H HIS 4 H HIS 4 -2.227 16.484 -6.445 37 HA HIS 4 HA HIS 4 -4.471 15.932 -8.274 38 HB2 HIS 4 2HB HIS 4 -2.405 16.772 -9.519 39 HB3 HIS 4 1HB HIS 4 -1.569 15.330 -8.957 40 HD1 HIS 4 1HD HIS 4 -1.660 13.403 -10.600 41 HD2 HIS 4 2HD HIS 4 -4.828 16.039 -11.088 42 HE1 HIS 4 1HE HIS 4 -2.941 12.560 -12.585 43 HE2 HIS 4 2HE HIS 4 -4.806 14.239 -12.919 44 H GLY 5 H GLY 5 -1.700 14.719 -6.477 45 HA2 GLY 5 2HA GLY 5 -3.229 12.306 -5.921 46 HA3 GLY 5 1HA GLY 5 -1.516 12.235 -6.332 47 H LYS 6 H LYS 6 -2.192 11.204 -4.025 48 HA LYS 6 HA LYS 6 -1.317 13.187 -2.011 49 HB2 LYS 6 2HB LYS 6 -3.104 10.784 -1.614 50 HB3 LYS 6 1HB LYS 6 -2.490 11.803 -0.329 51 HG2 LYS 6 2HG LYS 6 -3.751 13.698 -1.280 52 HG3 LYS 6 1HG LYS 6 -4.403 12.601 -2.504 53 HD2 LYS 6 2HD LYS 6 -4.733 12.193 0.473 54 HD3 LYS 6 1HD LYS 6 -5.926 13.005 -0.537 55 HE2 LYS 6 2HE LYS 6 -4.973 10.166 -0.980 56 HE3 LYS 6 1HE LYS 6 -6.420 10.598 -0.082 57 HZ1 LYS 6 3HZ LYS 6 -5.974 11.315 -2.943 58 HZ2 LYS 6 1HZ LYS 6 -7.362 11.565 -2.016 59 HZ3 LYS 6 2HZ LYS 6 -6.896 10.002 -2.397 60 H TYR 7 H TYR 7 0.025 12.259 -0.344 61 HA TYR 7 HA TYR 7 1.148 9.637 -1.005 62 HB2 TYR 7 2HB TYR 7 2.472 12.067 0.214 63 HB3 TYR 7 1HB TYR 7 3.124 10.451 0.437 64 HD1 TYR 7 2HD TYR 7 4.155 9.265 -1.401 65 HD2 TYR 7 1HD TYR 7 2.611 13.193 -1.936 66 HE1 TYR 7 2HE TYR 7 5.423 9.460 -3.502 67 HE2 TYR 7 1HE TYR 7 3.872 13.413 -4.033 68 HH TYR 7 HH TYR 7 5.767 12.494 -5.097 69 H VAL 8 H VAL 8 0.443 8.202 0.350 70 HA VAL 8 HA VAL 8 -0.144 9.099 3.085 71 HB VAL 8 HB VAL 8 -2.095 7.676 3.236 72 HG11 VAL 8 1HG1 VAL 8 -2.497 9.919 2.437 73 HG12 VAL 8 2HG1 VAL 8 -3.641 8.788 1.710 74 HG13 VAL 8 3HG1 VAL 8 -2.272 9.385 0.770 75 HG21 VAL 8 3HG2 VAL 8 -1.427 5.859 1.772 76 HG22 VAL 8 1HG2 VAL 8 -1.573 6.913 0.367 77 HG23 VAL 8 2HG2 VAL 8 -3.010 6.473 1.289 78 H TYR 9 H TYR 9 -0.606 6.945 4.426 79 HA TYR 9 HA TYR 9 1.605 5.133 3.834 80 HB2 TYR 9 2HB TYR 9 0.727 6.284 6.478 81 HB3 TYR 9 1HB TYR 9 1.802 4.897 6.346 82 HD1 TYR 9 1HD TYR 9 4.080 5.189 5.549 83 HD2 TYR 9 2HD TYR 9 1.478 8.535 5.985 84 HE1 TYR 9 1HE TYR 9 6.004 6.681 5.416 85 HE2 TYR 9 2HE TYR 9 3.408 10.055 5.839 86 HH TYR 9 HH TYR 9 5.893 9.924 6.306 87 H ILE 10 H ILE 10 1.055 3.077 3.846 88 HA ILE 10 HA ILE 10 -1.711 2.425 4.488 89 HB ILE 10 HB ILE 10 0.455 0.620 3.364 90 HG12 ILE 10 2HG1 ILE 10 -0.024 2.390 1.781 91 HG13 ILE 10 1HG1 ILE 10 -0.717 0.885 1.192 92 HG21 ILE 10 1HG2 ILE 10 -1.272 -0.664 4.477 93 HG22 ILE 10 2HG2 ILE 10 -1.362 -0.896 2.729 94 HG23 ILE 10 3HG2 ILE 10 -2.519 0.157 3.540 95 HD11 ILE 10 3HD1 ILE 10 -2.204 3.159 2.500 96 HD12 ILE 10 1HD1 ILE 10 -2.911 1.621 2.005 97 HD13 ILE 10 2HD1 ILE 10 -2.235 2.711 0.794 98 H ASP 11 H ASP 11 -2.336 1.386 6.236 99 HA ASP 11 HA ASP 11 -0.466 1.139 8.375 100 HB2 ASP 11 2HB ASP 11 -2.673 1.946 8.950 101 HB3 ASP 11 1HB ASP 11 -3.431 0.507 8.300 102 H LEU 12 H LEU 12 0.909 -0.311 7.611 103 HA LEU 12 HA LEU 12 0.228 -3.055 7.163 104 HB2 LEU 12 2HB LEU 12 2.878 -1.839 7.939 105 HB3 LEU 12 1HB LEU 12 2.632 -3.424 7.232 106 HG LEU 12 HG LEU 12 2.070 -0.805 5.854 107 HD11 LEU 12 1HD1 LEU 12 4.426 -1.102 6.149 108 HD12 LEU 12 2HD1 LEU 12 4.010 -1.404 4.462 109 HD13 LEU 12 3HD1 LEU 12 4.341 -2.756 5.547 110 HD21 LEU 12 3HD2 LEU 12 1.781 -2.180 3.847 111 HD22 LEU 12 1HD2 LEU 12 0.601 -2.596 5.088 112 HD23 LEU 12 2HD2 LEU 12 1.990 -3.641 4.819 113 H ASN 13 H ASN 13 1.285 -1.041 9.745 114 HA ASN 13 HA ASN 13 0.869 -1.024 11.964 115 HB2 ASN 13 2HB ASN 13 -1.326 -1.997 11.140 116 HB3 ASN 13 1HB ASN 13 -0.705 -3.563 11.637 117 HD21 ASN 13 1HD2 ASN 13 -1.860 -0.519 12.624 118 HD22 ASN 13 2HD2 ASN 13 -2.098 -0.872 14.306 119 H ASN 14 H ASN 14 2.507 -3.537 10.550 120 HA ASN 14 HA ASN 14 3.149 -4.927 13.018 121 HB2 ASN 14 2HB ASN 14 4.459 -6.485 11.636 122 HB3 ASN 14 1HB ASN 14 2.830 -6.284 11.014 123 HD21 ASN 14 1HD2 ASN 14 2.532 -5.281 9.022 124 HD22 ASN 14 2HD2 ASN 14 3.846 -5.030 7.927 125 H GLY 15 H GLY 15 4.027 -2.124 12.433 126 HA2 GLY 15 2HA GLY 15 5.832 -1.099 13.632 127 HA3 GLY 15 1HA GLY 15 6.795 -2.536 13.329 128 H LYS 16 H LYS 16 5.113 -1.480 10.595 129 HA LYS 16 HA LYS 16 7.077 0.427 9.749 130 HB2 LYS 16 2HB LYS 16 7.778 -0.804 7.775 131 HB3 LYS 16 1HB LYS 16 8.134 -1.763 9.200 132 HG2 LYS 16 2HG LYS 16 6.115 -3.106 8.784 133 HG3 LYS 16 1HG LYS 16 5.808 -2.160 7.330 134 HD2 LYS 16 2HD LYS 16 6.884 -4.136 6.589 135 HD3 LYS 16 1HD LYS 16 8.080 -2.862 6.535 136 HE2 LYS 16 2HE LYS 16 9.073 -3.578 8.628 137 HE3 LYS 16 1HE LYS 16 7.823 -4.802 8.836 138 HZ1 LYS 16 3HZ LYS 16 9.813 -4.732 6.641 139 HZ2 LYS 16 1HZ LYS 16 8.665 -5.949 6.887 140 HZ3 LYS 16 2HZ LYS 16 9.909 -5.718 7.999 141 H TYR 17 H TYR 17 6.369 1.442 7.746 142 HA TYR 17 HA TYR 17 3.598 0.927 7.000 143 HB2 TYR 17 2HB TYR 17 4.693 3.547 8.030 144 HB3 TYR 17 1HB TYR 17 3.327 3.509 6.926 145 HD1 TYR 17 2HD TYR 17 4.459 2.195 10.226 146 HD2 TYR 17 1HD TYR 17 1.172 3.251 7.761 147 HE1 TYR 17 2HE TYR 17 2.923 1.805 12.109 148 HE2 TYR 17 1HE TYR 17 -0.360 2.871 9.634 149 HH TYR 17 HH TYR 17 -0.387 1.524 11.675 150 H VAL 18 H VAL 18 3.211 1.308 4.871 151 HA VAL 18 HA VAL 18 5.606 1.952 3.335 152 HB VAL 18 HB VAL 18 4.700 -0.238 2.742 153 HG11 VAL 18 1HG1 VAL 18 2.455 -0.547 1.842 154 HG12 VAL 18 2HG1 VAL 18 2.103 1.148 2.177 155 HG13 VAL 18 3HG1 VAL 18 2.434 0.035 3.510 156 HG21 VAL 18 3HG2 VAL 18 4.014 1.766 0.601 157 HG22 VAL 18 1HG2 VAL 18 4.246 0.038 0.348 158 HG23 VAL 18 2HG2 VAL 18 5.596 1.038 0.881 159 H LYS 19 H LYS 19 5.697 3.642 2.029 160 HA LYS 19 HA LYS 19 3.472 5.500 2.272 161 HB2 LYS 19 2HB LYS 19 5.772 6.193 3.003 162 HB3 LYS 19 1HB LYS 19 6.289 6.040 1.331 163 HG2 LYS 19 2HG LYS 19 4.833 7.816 0.649 164 HG3 LYS 19 1HG LYS 19 4.109 7.903 2.256 165 HD2 LYS 19 2HD LYS 19 6.341 8.487 3.172 166 HD3 LYS 19 1HD LYS 19 6.964 8.521 1.520 167 HE2 LYS 19 2HE LYS 19 5.438 10.318 0.957 168 HE3 LYS 19 1HE LYS 19 4.715 10.239 2.562 169 HZ1 LYS 19 3HZ LYS 19 7.545 10.902 2.009 170 HZ2 LYS 19 1HZ LYS 19 6.816 10.922 3.517 171 HZ3 LYS 19 2HZ LYS 19 6.364 12.039 2.328 172 H VAL 20 H VAL 20 2.207 5.707 0.644 173 HA VAL 20 HA VAL 20 3.150 4.889 -1.991 174 HB VAL 20 HB VAL 20 1.818 3.092 -1.010 175 HG11 VAL 20 1HG1 VAL 20 -0.558 3.381 -0.493 176 HG12 VAL 20 2HG1 VAL 20 -0.359 5.124 -0.718 177 HG13 VAL 20 3HG1 VAL 20 0.509 4.299 0.570 178 HG21 VAL 20 3HG2 VAL 20 0.062 2.851 -2.745 179 HG22 VAL 20 1HG2 VAL 20 1.620 3.352 -3.408 180 HG23 VAL 20 2HG2 VAL 20 0.327 4.532 -3.205 181 H ARG 21 H ARG 21 2.402 6.026 -3.668 182 HA ARG 21 HA ARG 21 1.183 8.599 -3.099 183 HB2 ARG 21 2HB ARG 21 3.255 8.471 -4.474 184 HB3 ARG 21 1HB ARG 21 2.401 7.484 -5.642 185 HG2 ARG 21 2HG ARG 21 0.936 9.382 -6.169 186 HG3 ARG 21 1HG ARG 21 1.806 10.372 -4.988 187 HD2 ARG 21 2HD ARG 21 3.901 9.950 -6.233 188 HD3 ARG 21 1HD ARG 21 2.984 9.061 -7.438 189 HE ARG 21 HE ARG 21 1.867 11.605 -7.253 190 HH11 ARG 21 1HH1 ARG 21 4.917 10.103 -8.240 191 HH12 ARG 21 2HH1 ARG 21 5.364 11.319 -9.320 192 HH21 ARG 21 1HH2 ARG 21 2.503 13.352 -8.751 193 HH22 ARG 21 2HH2 ARG 21 3.975 13.216 -9.598 194 H ILE 22 H ILE 22 -0.875 8.809 -3.377 195 HA ILE 22 HA ILE 22 -2.420 6.778 -4.845 196 HB ILE 22 HB ILE 22 -3.512 8.933 -3.038 197 HG12 ILE 22 2HG1 ILE 22 -1.931 7.585 -1.714 198 HG13 ILE 22 1HG1 ILE 22 -3.592 7.315 -1.208 199 HG21 ILE 22 1HG2 ILE 22 -5.428 7.419 -2.871 200 HG22 ILE 22 2HG2 ILE 22 -4.613 6.289 -3.952 201 HG23 ILE 22 3HG2 ILE 22 -5.088 7.884 -4.537 202 HD11 ILE 22 3HD1 ILE 22 -3.620 5.238 -2.470 203 HD12 ILE 22 1HD1 ILE 22 -2.364 5.247 -1.234 204 HD13 ILE 22 2HD1 ILE 22 -1.932 5.498 -2.927 205 H LEU 23 H LEU 23 -2.774 7.451 -6.887 206 HA LEU 23 HA LEU 23 -2.874 10.290 -7.517 207 HB2 LEU 23 2HB LEU 23 -3.251 7.879 -9.293 208 HB3 LEU 23 1HB LEU 23 -3.002 9.529 -9.824 209 HG LEU 23 HG LEU 23 -0.960 7.835 -8.388 210 HD11 LEU 23 1HD1 LEU 23 -1.392 7.024 -10.624 211 HD12 LEU 23 2HD1 LEU 23 0.190 7.808 -10.553 212 HD13 LEU 23 3HD1 LEU 23 -1.182 8.646 -11.279 213 HD21 LEU 23 3HD2 LEU 23 -0.760 10.577 -9.626 214 HD22 LEU 23 1HD2 LEU 23 0.598 9.645 -8.988 215 HD23 LEU 23 2HD2 LEU 23 -0.673 10.198 -7.905 216 H LYS 24 H LYS 24 -4.841 11.269 -7.149 217 HA LYS 24 HA LYS 24 -7.173 9.550 -7.386 218 HB2 LYS 24 2HB LYS 24 -6.885 10.932 -5.303 219 HB3 LYS 24 1HB LYS 24 -7.043 12.372 -6.289 220 HG2 LYS 24 2HG LYS 24 -9.329 11.864 -6.806 221 HG3 LYS 24 1HG LYS 24 -9.209 10.264 -6.076 222 HD2 LYS 24 2HD LYS 24 -8.696 11.371 -3.902 223 HD3 LYS 24 1HD LYS 24 -9.002 12.922 -4.676 224 HE2 LYS 24 2HE LYS 24 -10.955 12.221 -3.409 225 HE3 LYS 24 1HE LYS 24 -11.321 12.211 -5.128 226 HZ1 LYS 24 3HZ LYS 24 -12.085 10.305 -3.690 227 HZ2 LYS 24 1HZ LYS 24 -10.543 9.685 -3.719 228 HZ3 LYS 24 2HZ LYS 24 -11.464 9.878 -5.147 229 H SER 25 H SER 25 -7.868 9.396 -9.300 230 HA SER 25 HA SER 25 -7.491 11.466 -11.216 231 HB2 SER 25 2HB SER 25 -9.070 8.908 -11.496 232 HB3 SER 25 1HB SER 25 -8.421 9.907 -12.799 233 HG SER 25 HG SER 25 -7.018 8.347 -10.901 234 H ARG 26 H ARG 26 -8.632 13.052 -10.130 235 HA ARG 26 HA ARG 26 -11.528 13.067 -9.827 236 HB2 ARG 26 2HB ARG 26 -9.746 15.479 -10.188 237 HB3 ARG 26 1HB ARG 26 -11.243 15.372 -9.278 238 HG2 ARG 26 2HG ARG 26 -10.194 14.671 -7.407 239 HG3 ARG 26 1HG ARG 26 -9.080 13.632 -8.309 240 HD2 ARG 26 2HD ARG 26 -8.916 16.621 -7.991 241 HD3 ARG 26 1HD ARG 26 -7.799 15.418 -7.327 242 HE ARG 26 HE ARG 26 -7.516 14.814 -9.807 243 HH11 ARG 26 1HH1 ARG 26 -7.683 18.075 -8.481 244 HH12 ARG 26 2HH1 ARG 26 -7.080 18.838 -9.869 245 HH21 ARG 26 1HH2 ARG 26 -6.840 15.842 -11.770 246 HH22 ARG 26 2HH2 ARG 26 -6.577 17.533 -11.799 247 H ASP 27 H ASP 27 -9.068 13.758 -12.063 248 HA ASP 27 HA ASP 27 -10.028 15.121 -14.208 249 HB2 ASP 27 2HB ASP 27 -8.355 12.585 -14.318 250 HB3 ASP 27 1HB ASP 27 -8.300 13.948 -15.423 251 H ASP 28 H ASP 28 -10.340 11.782 -13.296 252 HA ASP 28 HA ASP 28 -12.028 10.937 -15.498 253 HB2 ASP 28 2HB ASP 28 -10.501 9.316 -14.557 254 HB3 ASP 28 1HB ASP 28 -11.100 9.626 -12.934 255 H ASN 29 H ASN 29 -12.274 11.031 -12.017 256 HA ASN 29 HA ASN 29 -14.542 12.485 -11.551 257 HB2 ASN 29 2HB ASN 29 -15.906 10.781 -12.653 258 HB3 ASN 29 1HB ASN 29 -15.105 9.495 -11.771 259 HD21 ASN 29 1HD2 ASN 29 -16.995 8.728 -10.934 260 HD22 ASN 29 2HD2 ASN 29 -17.914 9.522 -9.717 261 H SER 30 H SER 30 -13.603 9.239 -10.463 262 HA SER 30 HA SER 30 -11.884 10.242 -8.497 263 HB2 SER 30 2HB SER 30 -14.026 10.791 -7.369 264 HB3 SER 30 1HB SER 30 -14.486 9.091 -7.453 265 HG SER 30 HG SER 30 -13.410 8.782 -5.757 266 H VAL 31 H VAL 31 -10.735 8.758 -9.858 267 HA VAL 31 HA VAL 31 -10.996 6.011 -8.828 268 HB VAL 31 HB VAL 31 -9.559 6.872 -11.377 269 HG11 VAL 31 1HG1 VAL 31 -9.272 4.489 -11.807 270 HG12 VAL 31 2HG1 VAL 31 -10.057 4.107 -10.275 271 HG13 VAL 31 3HG1 VAL 31 -8.509 4.951 -10.285 272 HG21 VAL 31 3HG2 VAL 31 -11.295 5.609 -12.571 273 HG22 VAL 31 1HG2 VAL 31 -11.959 6.978 -11.679 274 HG23 VAL 31 2HG2 VAL 31 -12.131 5.341 -11.039 275 H GLU 32 H GLU 32 -9.657 5.892 -7.136 276 HA GLU 32 HA GLU 32 -7.206 7.355 -7.328 277 HB2 GLU 32 2HB GLU 32 -8.454 5.862 -5.026 278 HB3 GLU 32 1HB GLU 32 -6.848 6.591 -4.941 279 HG2 GLU 32 2HG GLU 32 -7.843 8.751 -5.587 280 HG3 GLU 32 1HG GLU 32 -9.437 8.016 -5.501 281 H LYS 33 H LYS 33 -5.668 6.625 -8.323 282 HA LYS 33 HA LYS 33 -5.319 3.766 -8.650 283 HB2 LYS 33 2HB LYS 33 -3.965 6.072 -10.066 284 HB3 LYS 33 1HB LYS 33 -3.729 4.370 -10.430 285 HG2 LYS 33 2HG LYS 33 -6.137 4.213 -11.017 286 HG3 LYS 33 1HG LYS 33 -6.269 5.952 -10.763 287 HD2 LYS 33 2HD LYS 33 -4.619 6.344 -12.523 288 HD3 LYS 33 1HD LYS 33 -4.444 4.604 -12.756 289 HE2 LYS 33 2HE LYS 33 -6.870 4.499 -13.325 290 HE3 LYS 33 1HE LYS 33 -6.924 6.254 -13.225 291 HZ1 LYS 33 3HZ LYS 33 -5.308 6.371 -15.029 292 HZ2 LYS 33 1HZ LYS 33 -6.665 5.496 -15.504 293 HZ3 LYS 33 2HZ LYS 33 -5.228 4.701 -15.103 294 H TYR 34 H TYR 34 -3.727 2.740 -7.752 295 HA TYR 34 HA TYR 34 -2.080 4.208 -5.875 296 HB2 TYR 34 2HB TYR 34 -2.445 1.220 -6.235 297 HB3 TYR 34 1HB TYR 34 -1.649 2.020 -4.879 298 HD1 TYR 34 2HD TYR 34 -3.031 3.500 -3.390 299 HD2 TYR 34 1HD TYR 34 -4.805 0.911 -6.232 300 HE1 TYR 34 2HE TYR 34 -5.190 3.713 -2.223 301 HE2 TYR 34 1HE TYR 34 -6.970 1.119 -5.086 302 HH TYR 34 HH TYR 34 -7.528 3.480 -2.709 303 H VAL 35 H VAL 35 0.048 4.456 -6.128 304 HA VAL 35 HA VAL 35 1.239 3.991 -8.646 305 HB VAL 35 HB VAL 35 1.839 5.844 -7.060 306 HG11 VAL 35 1HG1 VAL 35 3.257 3.688 -5.544 307 HG12 VAL 35 2HG1 VAL 35 1.917 4.703 -5.002 308 HG13 VAL 35 3HG1 VAL 35 3.502 5.419 -5.299 309 HG21 VAL 35 3HG2 VAL 35 3.314 5.416 -8.931 310 HG22 VAL 35 1HG2 VAL 35 4.168 4.175 -8.012 311 HG23 VAL 35 2HG2 VAL 35 4.267 5.862 -7.514 312 H LEU 36 H LEU 36 3.109 2.667 -9.087 313 HA LEU 36 HA LEU 36 2.680 0.002 -8.178 314 HB2 LEU 36 2HB LEU 36 3.092 0.619 -10.523 315 HB3 LEU 36 1HB LEU 36 4.723 1.088 -10.099 316 HG LEU 36 HG LEU 36 5.201 -1.260 -9.476 317 HD11 LEU 36 1HD1 LEU 36 2.951 -2.003 -8.933 318 HD12 LEU 36 2HD1 LEU 36 3.646 -3.015 -10.198 319 HD13 LEU 36 3HD1 LEU 36 2.458 -1.782 -10.612 320 HD21 LEU 36 3HD2 LEU 36 5.233 -2.105 -11.766 321 HD22 LEU 36 1HD2 LEU 36 5.790 -0.433 -11.664 322 HD23 LEU 36 2HD2 LEU 36 4.167 -0.788 -12.255 323 H THR 37 H THR 37 4.483 2.387 -6.789 324 HA THR 37 HA THR 37 6.757 0.666 -6.208 325 HB THR 37 HB THR 37 7.007 3.181 -6.795 326 HG1 THR 37 1HG THR 37 8.608 1.808 -5.828 327 HG21 THR 37 3HG2 THR 37 6.187 3.480 -3.887 328 HG22 THR 37 1HG2 THR 37 5.303 4.102 -5.276 329 HG23 THR 37 2HG2 THR 37 6.880 4.764 -4.875 330 H SER 38 H SER 38 7.378 0.183 -4.002 331 HA SER 38 HA SER 38 5.102 0.117 -2.172 332 HB2 SER 38 2HB SER 38 6.953 -2.169 -2.864 333 HB3 SER 38 1HB SER 38 5.623 -2.228 -1.705 334 HG SER 38 HG SER 38 4.398 -1.391 -3.664 335 H HIS 39 H HIS 39 7.534 1.789 -2.260 336 HA HIS 39 HA HIS 39 9.554 1.069 -0.521 337 HB2 HIS 39 2HB HIS 39 8.440 3.746 -1.207 338 HB3 HIS 39 1HB HIS 39 9.600 3.623 0.104 339 HD1 HIS 39 1HD HIS 39 11.992 3.551 -0.523 340 HD2 HIS 39 2HD HIS 39 9.510 2.849 -3.763 341 HE1 HIS 39 1HE HIS 39 13.492 3.557 -2.517 342 HE2 HIS 39 2HE HIS 39 11.931 3.356 -4.479 343 H VAL 40 H VAL 40 9.329 0.126 1.293 344 HA VAL 40 HA VAL 40 7.389 0.918 3.247 345 HB VAL 40 HB VAL 40 8.560 -0.872 4.671 346 HG11 VAL 40 1HG1 VAL 40 7.260 -1.590 2.053 347 HG12 VAL 40 2HG1 VAL 40 6.434 -1.212 3.566 348 HG13 VAL 40 3HG1 VAL 40 7.423 -2.666 3.439 349 HG21 VAL 40 3HG2 VAL 40 9.735 -1.579 1.979 350 HG22 VAL 40 1HG2 VAL 40 9.868 -2.530 3.452 351 HG23 VAL 40 2HG2 VAL 40 10.669 -0.959 3.347 352 H SER 41 H SER 41 7.622 2.254 4.821 353 HA SER 41 HA SER 41 10.253 3.294 5.419 354 HB2 SER 41 2HB SER 41 8.448 4.872 4.674 355 HB3 SER 41 1HB SER 41 7.481 4.358 6.052 356 HG SER 41 HG SER 41 9.081 6.298 5.991 357 H LYS 42 H LYS 42 10.463 3.783 7.766 358 HA LYS 42 HA LYS 42 9.599 1.457 9.359 359 HB2 LYS 42 2HB LYS 42 11.513 2.008 10.787 360 HB3 LYS 42 1HB LYS 42 12.016 1.783 9.113 361 HG2 LYS 42 2HG LYS 42 11.981 4.258 8.833 362 HG3 LYS 42 1HG LYS 42 11.635 4.407 10.551 363 HD2 LYS 42 2HD LYS 42 14.080 3.124 9.349 364 HD3 LYS 42 1HD LYS 42 14.014 4.744 10.032 365 HE2 LYS 42 2HE LYS 42 13.432 3.785 12.224 366 HE3 LYS 42 1HE LYS 42 13.525 2.166 11.528 367 HZ1 LYS 42 3HZ LYS 42 15.567 2.747 12.667 368 HZ2 LYS 42 1HZ LYS 42 15.763 4.100 11.679 369 HZ3 LYS 42 2HZ LYS 42 15.843 2.548 11.022 370 H ASN 43 H ASN 43 8.607 4.449 8.813 371 HA ASN 43 HA ASN 43 8.453 5.396 11.573 372 HB2 ASN 43 2HB ASN 43 7.749 6.809 8.997 373 HB3 ASN 43 1HB ASN 43 7.749 7.539 10.599 374 HD21 ASN 43 1HD2 ASN 43 9.693 6.389 7.968 375 HD22 ASN 43 2HD2 ASN 43 11.188 7.019 8.533 376 H ARG 44 H ARG 44 6.566 5.788 12.616 377 HA ARG 44 HA ARG 44 4.103 4.867 11.294 378 HB2 ARG 44 2HB ARG 44 4.578 5.022 14.274 379 HB3 ARG 44 1HB ARG 44 3.241 4.245 13.451 380 HG2 ARG 44 2HG ARG 44 4.860 2.575 12.541 381 HG3 ARG 44 1HG ARG 44 6.105 3.320 13.542 382 HD2 ARG 44 2HD ARG 44 3.589 1.942 14.461 383 HD3 ARG 44 1HD ARG 44 5.256 1.444 14.746 384 HE ARG 44 HE ARG 44 5.112 3.908 15.854 385 HH11 ARG 44 1HH1 ARG 44 3.395 0.863 16.345 386 HH12 ARG 44 2HH1 ARG 44 2.855 1.256 17.909 387 HH21 ARG 44 1HH2 ARG 44 4.347 4.453 18.004 388 HH22 ARG 44 2HH2 ARG 44 3.375 3.339 18.869 389 HA PRO 45 HA PRO 45 3.736 9.365 12.024 390 HB2 PRO 45 2HB PRO 45 2.064 9.506 9.690 391 HB3 PRO 45 1HB PRO 45 3.708 10.104 9.884 392 HG2 PRO 45 2HG PRO 45 3.035 8.001 8.253 393 HG3 PRO 45 1HG PRO 45 4.638 8.209 8.980 394 HD2 PRO 45 2HD PRO 45 2.362 6.468 9.844 395 HD3 PRO 45 1HD PRO 45 4.109 6.119 9.774 396 H LYS 46 H LYS 46 1.996 10.778 12.449 397 HA LYS 46 HA LYS 46 -0.542 9.399 12.938 398 HB2 LYS 46 2HB LYS 46 0.725 10.231 14.992 399 HB3 LYS 46 1HB LYS 46 0.442 11.865 14.412 400 HG2 LYS 46 2HG LYS 46 -1.790 9.927 14.988 401 HG3 LYS 46 1HG LYS 46 -1.133 10.997 16.219 402 HD2 LYS 46 2HD LYS 46 -1.878 12.940 14.983 403 HD3 LYS 46 1HD LYS 46 -2.316 11.942 13.598 404 HE2 LYS 46 2HE LYS 46 -4.268 12.642 14.931 405 HE3 LYS 46 1HE LYS 46 -4.084 10.896 14.866 406 HZ1 LYS 46 3HZ LYS 46 -3.118 10.956 17.083 407 HZ2 LYS 46 1HZ LYS 46 -4.639 11.645 17.065 408 HZ3 LYS 46 2HZ LYS 46 -3.288 12.637 17.148 409 H ASN 47 H ASN 47 0.899 12.537 12.120 410 HA ASN 47 HA ASN 47 -1.617 13.441 11.029 411 HB2 ASN 47 2HB ASN 47 -0.159 15.069 12.212 412 HB3 ASN 47 1HB ASN 47 1.085 14.824 10.994 413 HD21 ASN 47 1HD2 ASN 47 1.119 16.921 10.278 414 HD22 ASN 47 2HD2 ASN 47 -0.179 17.684 9.461 415 H ALA 48 H ALA 48 -1.543 11.535 9.598 416 HA ALA 48 HA ALA 48 -1.052 12.351 6.952 417 HB1 ALA 48 1HB ALA 48 1.218 11.519 7.450 418 HB2 ALA 48 2HB ALA 48 0.377 10.410 6.367 419 HB3 ALA 48 3HB ALA 48 0.531 10.020 8.083 420 H ILE 49 H ILE 49 -2.070 10.657 5.582 421 HA ILE 49 HA ILE 49 -4.204 9.447 7.104 422 HB ILE 49 HB ILE 49 -3.774 9.420 4.101 423 HG12 ILE 49 2HG1 ILE 49 -4.099 11.723 4.895 424 HG13 ILE 49 1HG1 ILE 49 -5.508 11.177 3.998 425 HG21 ILE 49 1HG2 ILE 49 -6.208 8.736 5.741 426 HG22 ILE 49 2HG2 ILE 49 -5.176 7.594 4.899 427 HG23 ILE 49 3HG2 ILE 49 -6.140 8.758 3.976 428 HD11 ILE 49 3HD1 ILE 49 -5.267 11.360 6.997 429 HD12 ILE 49 1HD1 ILE 49 -6.681 10.780 6.117 430 HD13 ILE 49 2HD1 ILE 49 -6.164 12.455 5.945 431 H VAL 50 H VAL 50 -4.027 7.506 7.860 432 HA VAL 50 HA VAL 50 -2.301 5.659 6.441 433 HB VAL 50 HB VAL 50 -2.144 4.281 8.495 434 HG11 VAL 50 1HG1 VAL 50 -0.396 5.867 8.115 435 HG12 VAL 50 2HG1 VAL 50 -0.735 5.785 9.844 436 HG13 VAL 50 3HG1 VAL 50 -1.330 7.145 8.892 437 HG21 VAL 50 3HG2 VAL 50 -3.671 6.507 9.858 438 HG22 VAL 50 1HG2 VAL 50 -2.882 5.150 10.668 439 HG23 VAL 50 2HG2 VAL 50 -4.241 4.857 9.584 440 H ILE 51 H ILE 51 -3.221 4.239 5.306 441 HA ILE 51 HA ILE 51 -6.076 3.718 5.763 442 HB ILE 51 HB ILE 51 -4.469 3.217 3.228 443 HG12 ILE 51 2HG1 ILE 51 -6.374 5.490 3.870 444 HG13 ILE 51 1HG1 ILE 51 -4.625 5.628 3.752 445 HG21 ILE 51 1HG2 ILE 51 -7.446 3.208 3.748 446 HG22 ILE 51 2HG2 ILE 51 -6.432 1.789 3.468 447 HG23 ILE 51 3HG2 ILE 51 -6.676 2.966 2.178 448 HD11 ILE 51 3HD1 ILE 51 -4.747 5.031 1.379 449 HD12 ILE 51 1HD1 ILE 51 -5.715 6.461 1.748 450 HD13 ILE 51 2HD1 ILE 51 -6.501 4.901 1.508 451 H LYS 52 H LYS 52 -6.632 1.772 6.449 452 HA LYS 52 HA LYS 52 -4.645 -0.177 7.049 453 HB2 LYS 52 2HB LYS 52 -6.577 0.289 8.505 454 HB3 LYS 52 1HB LYS 52 -7.663 -0.238 7.235 455 HG2 LYS 52 2HG LYS 52 -7.004 -2.476 7.479 456 HG3 LYS 52 1HG LYS 52 -5.607 -2.028 8.468 457 HD2 LYS 52 2HD LYS 52 -7.376 -2.961 9.852 458 HD3 LYS 52 1HD LYS 52 -7.120 -1.266 10.242 459 HE2 LYS 52 2HE LYS 52 -9.483 -1.756 10.209 460 HE3 LYS 52 1HE LYS 52 -9.100 -0.699 8.854 461 HZ1 LYS 52 3HZ LYS 52 -10.615 -2.545 8.337 462 HZ2 LYS 52 1HZ LYS 52 -9.395 -3.640 8.665 463 HZ3 LYS 52 2HZ LYS 52 -9.251 -2.539 7.375 464 H MET 53 H MET 53 -4.292 -2.188 6.147 465 HA MET 53 HA MET 53 -4.212 -2.279 3.384 466 HB2 MET 53 2HB MET 53 -4.068 -4.617 5.277 467 HB3 MET 53 1HB MET 53 -3.637 -4.686 3.577 468 HG2 MET 53 2HG MET 53 -1.901 -2.968 4.005 469 HG3 MET 53 1HG MET 53 -2.279 -3.075 5.723 470 HE1 MET 53 3HE MET 53 -2.881 -6.265 5.940 471 HE2 MET 53 1HE MET 53 -1.959 -5.350 7.138 472 HE3 MET 53 2HE MET 53 -1.290 -6.829 6.453 473 H ASP 54 H ASP 54 -6.562 -3.641 5.484 474 HA ASP 54 HA ASP 54 -8.073 -5.191 3.800 475 HB2 ASP 54 2HB ASP 54 -8.609 -5.337 6.029 476 HB3 ASP 54 1HB ASP 54 -8.651 -3.599 6.241 477 H ASN 55 H ASN 55 -7.981 -1.686 3.849 478 HA ASN 55 HA ASN 55 -10.405 -1.377 2.267 479 HB2 ASN 55 2HB ASN 55 -9.806 0.342 3.943 480 HB3 ASN 55 1HB ASN 55 -8.296 0.646 3.107 481 HD21 ASN 55 1HD2 ASN 55 -8.324 1.944 1.276 482 HD22 ASN 55 2HD2 ASN 55 -9.701 2.850 0.781 483 H LEU 56 H LEU 56 -7.240 -2.186 1.638 484 HA LEU 56 HA LEU 56 -7.095 -0.814 -0.890 485 HB2 LEU 56 2HB LEU 56 -5.139 -2.545 0.606 486 HB3 LEU 56 1HB LEU 56 -4.872 -2.110 -1.065 487 HG LEU 56 HG LEU 56 -3.564 -0.694 0.395 488 HD11 LEU 56 1HD1 LEU 56 -5.833 0.849 -0.813 489 HD12 LEU 56 2HD1 LEU 56 -4.392 0.284 -1.649 490 HD13 LEU 56 3HD1 LEU 56 -4.254 1.490 -0.369 491 HD21 LEU 56 3HD2 LEU 56 -6.190 0.044 1.653 492 HD22 LEU 56 1HD2 LEU 56 -4.695 0.933 1.916 493 HD23 LEU 56 2HD2 LEU 56 -4.824 -0.742 2.430 494 HA PRO 57 HA PRO 57 -8.798 -4.087 -3.344 495 HB2 PRO 57 2HB PRO 57 -6.651 -3.284 -5.260 496 HB3 PRO 57 1HB PRO 57 -8.390 -3.438 -5.527 497 HG2 PRO 57 2HG PRO 57 -7.279 -1.052 -5.325 498 HG3 PRO 57 1HG PRO 57 -8.859 -1.384 -4.596 499 HD2 PRO 57 2HD PRO 57 -6.185 -1.151 -3.300 500 HD3 PRO 57 1HD PRO 57 -7.777 -0.606 -2.729 501 H ILE 58 H ILE 58 -8.175 -6.175 -4.077 502 HA ILE 58 HA ILE 58 -6.053 -7.239 -2.593 503 HB ILE 58 HB ILE 58 -6.440 -9.446 -3.672 504 HG12 ILE 58 2HG1 ILE 58 -8.579 -9.665 -5.087 505 HG13 ILE 58 1HG1 ILE 58 -8.439 -7.942 -5.377 506 HG21 ILE 58 1HG2 ILE 58 -8.895 -8.063 -2.670 507 HG22 ILE 58 2HG2 ILE 58 -7.658 -8.881 -1.717 508 HG23 ILE 58 3HG2 ILE 58 -8.696 -9.808 -2.802 509 HD11 ILE 58 3HD1 ILE 58 -7.551 -9.242 -7.237 510 HD12 ILE 58 1HD1 ILE 58 -6.422 -10.049 -6.147 511 HD13 ILE 58 2HD1 ILE 58 -6.266 -8.318 -6.457 512 H GLU 59 H GLU 59 -6.134 -6.004 -5.736 513 HA GLU 59 HA GLU 59 -3.806 -7.055 -6.891 514 HB2 GLU 59 2HB GLU 59 -4.860 -4.217 -7.160 515 HB3 GLU 59 1HB GLU 59 -3.812 -5.050 -8.293 516 HG2 GLU 59 2HG GLU 59 -5.606 -6.593 -8.861 517 HG3 GLU 59 1HG GLU 59 -6.650 -5.852 -7.654 518 H VAL 60 H VAL 60 -4.317 -4.431 -4.596 519 HA VAL 60 HA VAL 60 -1.616 -3.464 -4.697 520 HB VAL 60 HB VAL 60 -3.788 -2.851 -2.681 521 HG11 VAL 60 1HG1 VAL 60 -1.244 -1.358 -3.322 522 HG12 VAL 60 2HG1 VAL 60 -1.570 -2.270 -1.847 523 HG13 VAL 60 3HG1 VAL 60 -2.493 -0.812 -2.203 524 HG21 VAL 60 3HG2 VAL 60 -4.505 -2.268 -4.929 525 HG22 VAL 60 1HG2 VAL 60 -3.008 -1.376 -5.191 526 HG23 VAL 60 2HG2 VAL 60 -4.177 -0.811 -3.995 527 H LYS 61 H LYS 61 -3.558 -5.311 -2.364 528 HA LYS 61 HA LYS 61 -1.491 -5.595 -0.447 529 HB2 LYS 61 2HB LYS 61 -3.814 -7.466 -0.922 530 HB3 LYS 61 1HB LYS 61 -2.810 -7.439 0.523 531 HG2 LYS 61 2HG LYS 61 -3.603 -5.083 0.874 532 HG3 LYS 61 1HG LYS 61 -4.740 -5.350 -0.442 533 HD2 LYS 61 2HD LYS 61 -4.619 -6.896 2.161 534 HD3 LYS 61 1HD LYS 61 -5.802 -5.668 1.746 535 HE2 LYS 61 2HE LYS 61 -6.955 -7.662 1.380 536 HE3 LYS 61 1HE LYS 61 -6.393 -7.240 -0.230 537 HZ1 LYS 61 3HZ LYS 61 -6.100 -9.598 0.344 538 HZ2 LYS 61 1HZ LYS 61 -5.072 -9.191 1.583 539 HZ3 LYS 61 2HZ LYS 61 -4.616 -8.918 -0.021 540 H ASP 62 H ASP 62 -2.332 -7.368 -3.289 541 HA ASP 62 HA ASP 62 -0.732 -9.635 -3.062 542 HB2 ASP 62 2HB ASP 62 -2.366 -9.338 -4.850 543 HB3 ASP 62 1HB ASP 62 -1.459 -7.974 -5.486 544 H LYS 63 H LYS 63 -0.024 -6.497 -4.522 545 HA LYS 63 HA LYS 63 2.680 -7.022 -5.108 546 HB2 LYS 63 2HB LYS 63 1.413 -4.332 -4.595 547 HB3 LYS 63 1HB LYS 63 2.916 -4.630 -5.466 548 HG2 LYS 63 2HG LYS 63 1.654 -5.926 -7.129 549 HG3 LYS 63 1HG LYS 63 0.169 -5.515 -6.282 550 HD2 LYS 63 2HD LYS 63 0.667 -3.122 -6.667 551 HD3 LYS 63 1HD LYS 63 2.075 -3.610 -7.619 552 HE2 LYS 63 2HE LYS 63 -0.813 -4.250 -8.198 553 HE3 LYS 63 1HE LYS 63 0.241 -3.172 -9.112 554 HZ1 LYS 63 3HZ LYS 63 0.060 -5.273 -10.212 555 HZ2 LYS 63 1HZ LYS 63 0.554 -6.116 -8.848 556 HZ3 LYS 63 2HZ LYS 63 1.637 -5.122 -9.649 557 H LEU 64 H LEU 64 1.155 -5.562 -2.287 558 HA LEU 64 HA LEU 64 3.465 -4.791 -0.895 559 HB2 LEU 64 2HB LEU 64 0.878 -5.825 0.280 560 HB3 LEU 64 1HB LEU 64 2.101 -4.926 1.150 561 HG LEU 64 HG LEU 64 0.335 -3.879 -1.065 562 HD11 LEU 64 1HD1 LEU 64 -0.835 -4.172 1.037 563 HD12 LEU 64 2HD1 LEU 64 -0.611 -2.460 0.683 564 HD13 LEU 64 3HD1 LEU 64 0.417 -3.254 1.875 565 HD21 LEU 64 3HD2 LEU 64 1.328 -1.684 -0.585 566 HD22 LEU 64 1HD2 LEU 64 2.540 -2.820 -1.181 567 HD23 LEU 64 2HD2 LEU 64 2.452 -2.441 0.540 568 H THR 65 H THR 65 1.731 -7.839 -0.942 569 HA THR 65 HA THR 65 3.386 -9.197 0.906 570 HB THR 65 HB THR 65 1.708 -10.377 -1.324 571 HG1 THR 65 1HG THR 65 0.336 -9.150 -0.115 572 HG21 THR 65 3HG2 THR 65 2.624 -11.497 1.337 573 HG22 THR 65 1HG2 THR 65 3.230 -11.980 -0.247 574 HG23 THR 65 2HG2 THR 65 1.555 -12.317 0.195 575 H ARG 66 H ARG 66 3.334 -9.085 -2.608 576 HA ARG 66 HA ARG 66 5.432 -10.863 -3.025 577 HB2 ARG 66 2HB ARG 66 4.274 -8.697 -4.731 578 HB3 ARG 66 1HB ARG 66 5.533 -9.790 -5.305 579 HG2 ARG 66 2HG ARG 66 4.144 -11.670 -5.087 580 HG3 ARG 66 1HG ARG 66 2.974 -10.786 -4.117 581 HD2 ARG 66 2HD ARG 66 2.189 -11.166 -6.398 582 HD3 ARG 66 1HD ARG 66 2.343 -9.457 -6.017 583 HE ARG 66 HE ARG 66 4.679 -10.422 -7.266 584 HH11 ARG 66 1HH1 ARG 66 1.347 -9.427 -7.902 585 HH12 ARG 66 2HH1 ARG 66 1.598 -9.101 -9.553 586 HH21 ARG 66 1HH2 ARG 66 5.064 -9.916 -9.501 587 HH22 ARG 66 2HH2 ARG 66 3.793 -9.414 -10.508 588 H PHE 67 H PHE 67 5.570 -7.458 -2.282 589 HA PHE 67 HA PHE 67 8.397 -7.489 -2.882 590 HB2 PHE 67 2HB PHE 67 7.148 -5.445 -3.432 591 HB3 PHE 67 1HB PHE 67 6.724 -5.239 -1.739 592 HD1 PHE 67 2HD PHE 67 9.882 -5.918 -3.623 593 HD2 PHE 67 1HD PHE 67 7.934 -3.501 -0.687 594 HE1 PHE 67 2HE PHE 67 11.960 -4.676 -3.233 595 HE2 PHE 67 1HE PHE 67 9.998 -2.287 -0.308 596 HZ PHE 67 HZ PHE 67 12.018 -2.856 -1.571 597 H PHE 68 H PHE 68 6.454 -6.856 0.063 598 HA PHE 68 HA PHE 68 8.916 -7.527 1.522 599 HB2 PHE 68 2HB PHE 68 8.368 -5.852 3.227 600 HB3 PHE 68 1HB PHE 68 8.583 -5.142 1.638 601 HD1 PHE 68 1HD PHE 68 6.635 -4.298 0.392 602 HD2 PHE 68 2HD PHE 68 6.274 -5.759 4.364 603 HE1 PHE 68 1HE PHE 68 4.470 -3.192 0.590 604 HE2 PHE 68 2HE PHE 68 4.092 -4.665 4.565 605 HZ PHE 68 HZ PHE 68 3.185 -3.376 2.676 606 H LEU 69 H LEU 69 5.397 -7.854 1.602 607 HA LEU 69 HA LEU 69 5.536 -8.795 4.333 608 HB2 LEU 69 2HB LEU 69 3.782 -7.219 3.588 609 HB3 LEU 69 1HB LEU 69 3.095 -8.440 2.561 610 HG LEU 69 HG LEU 69 2.573 -9.789 4.584 611 HD11 LEU 69 1HD1 LEU 69 4.279 -8.910 6.085 612 HD12 LEU 69 2HD1 LEU 69 2.671 -8.699 6.776 613 HD13 LEU 69 3HD1 LEU 69 3.506 -7.324 6.053 614 HD21 LEU 69 3HD2 LEU 69 1.469 -6.983 4.533 615 HD22 LEU 69 1HD2 LEU 69 0.713 -8.370 5.314 616 HD23 LEU 69 2HD2 LEU 69 0.902 -8.335 3.560 617 H LEU 70 H LEU 70 6.371 -10.355 1.772 618 HA LEU 70 HA LEU 70 4.861 -12.773 2.115 619 HB2 LEU 70 2HB LEU 70 6.478 -13.796 0.496 620 HB3 LEU 70 1HB LEU 70 5.576 -12.430 -0.112 621 HG LEU 70 HG LEU 70 7.647 -11.017 0.226 622 HD11 LEU 70 1HD1 LEU 70 8.837 -12.390 1.844 623 HD12 LEU 70 2HD1 LEU 70 9.810 -12.120 0.396 624 HD13 LEU 70 3HD1 LEU 70 9.009 -13.673 0.645 625 HD21 LEU 70 3HD2 LEU 70 8.770 -11.869 -1.771 626 HD22 LEU 70 1HD2 LEU 70 7.020 -11.839 -1.952 627 HD23 LEU 70 2HD2 LEU 70 7.846 -13.366 -1.641 628 H GLU 71 H GLU 71 7.466 -11.418 3.729 629 HA GLU 71 HA GLU 71 8.539 -13.989 4.401 630 HB2 GLU 71 2HB GLU 71 10.261 -12.787 5.706 631 HB3 GLU 71 1HB GLU 71 10.174 -12.235 4.049 632 HG2 GLU 71 2HG GLU 71 10.213 -10.184 4.910 633 HG3 GLU 71 1HG GLU 71 8.535 -10.464 5.366 634 H HIS 72 H HIS 72 8.980 -14.446 6.659 635 HA HIS 72 HA HIS 72 6.764 -15.234 7.971 636 HB2 HIS 72 2HB HIS 72 8.208 -15.381 10.071 637 HB3 HIS 72 1HB HIS 72 8.748 -16.251 8.647 638 HD1 HIS 72 1HD HIS 72 9.478 -12.528 8.938 639 HD2 HIS 72 2HD HIS 72 11.393 -16.180 9.484 640 HE1 HIS 72 1HE HIS 72 11.903 -11.999 9.149 641 HE2 HIS 72 2HE HIS 72 13.014 -14.223 9.088 642 H HIS 73 H HIS 73 5.081 -14.219 8.811 643 HA HIS 73 HA HIS 73 5.248 -11.535 9.741 644 HB2 HIS 73 2HB HIS 73 3.109 -12.454 8.843 645 HB3 HIS 73 1HB HIS 73 3.004 -13.528 10.234 646 HD1 HIS 73 1HD HIS 73 3.063 -9.777 9.507 647 HD2 HIS 73 2HD HIS 73 1.716 -12.435 12.408 648 HE1 HIS 73 1HE HIS 73 1.735 -8.410 11.099 649 HE2 HIS 73 2HE HIS 73 0.771 -10.066 12.736 650 H HIS 74 H HIS 74 5.289 -14.685 11.268 651 HA HIS 74 HA HIS 74 5.996 -13.279 13.708 652 HB2 HIS 74 2HB HIS 74 5.744 -15.416 14.979 653 HB3 HIS 74 1HB HIS 74 4.260 -14.975 14.163 654 HD1 HIS 74 1HD HIS 74 6.802 -17.675 14.445 655 HD2 HIS 74 2HD HIS 74 3.566 -16.733 12.019 656 HE1 HIS 74 1HE HIS 74 6.240 -19.776 13.233 657 HE2 HIS 74 2HE HIS 74 4.410 -19.127 11.625 658 H HIS 75 H HIS 75 7.938 -12.752 13.644 659 HA HIS 75 HA HIS 75 9.842 -14.379 12.247 660 HB2 HIS 75 2HB HIS 75 11.511 -12.494 12.716 661 HB3 HIS 75 1HB HIS 75 10.171 -12.146 11.643 662 HD1 HIS 75 1HD HIS 75 9.245 -9.907 12.042 663 HD2 HIS 75 2HD HIS 75 10.755 -11.542 15.541 664 HE1 HIS 75 1HE HIS 75 8.958 -8.144 13.791 665 HE2 HIS 75 2HE HIS 75 10.282 -9.015 15.701 666 H HIS 76 H HIS 76 9.357 -15.976 13.803 667 HA HIS 76 HA HIS 76 11.577 -16.968 14.940 668 HB2 HIS 76 2HB HIS 76 10.110 -15.322 16.961 669 HB3 HIS 76 1HB HIS 76 10.509 -16.956 17.465 670 HD1 HIS 76 1HD HIS 76 11.865 -13.721 17.786 671 HD2 HIS 76 2HD HIS 76 13.486 -17.394 16.707 672 HE1 HIS 76 1HE HIS 76 14.316 -13.530 18.223 673 HE2 HIS 76 2HE HIS 76 15.228 -15.821 17.784 674 H HIS 77 H HIS 77 11.258 -19.075 15.601 675 HA HIS 77 HA HIS 77 8.560 -20.005 15.787 676 HB2 HIS 77 2HB HIS 77 8.835 -21.748 14.059 677 HB3 HIS 77 1HB HIS 77 8.962 -20.141 13.372 678 HD1 HIS 77 1HD HIS 77 11.331 -19.445 12.464 679 HD2 HIS 77 2HD HIS 77 11.087 -23.375 13.788 680 HE1 HIS 77 1HE HIS 77 13.350 -20.588 11.548 681 HE2 HIS 77 2HE HIS 77 13.087 -22.994 12.207 Start of MODEL 15 1 H1 MET 1 1HT MET 1 -10.183 19.122 -9.329 2 H2 MET 1 2HT MET 1 -9.676 20.647 -8.862 3 H3 MET 1 3HT MET 1 -8.887 19.241 -8.284 4 HA MET 1 HA MET 1 -8.971 20.041 -11.108 5 HB2 MET 1 2HB MET 1 -6.671 20.090 -9.148 6 HB3 MET 1 1HB MET 1 -6.517 20.371 -10.869 7 HG2 MET 1 2HG MET 1 -7.896 22.375 -10.665 8 HG3 MET 1 1HG MET 1 -8.048 22.079 -8.931 9 HE1 MET 1 2HE MET 1 -5.666 25.200 -9.052 10 HE2 MET 1 3HE MET 1 -7.162 24.540 -8.392 11 HE3 MET 1 1HE MET 1 -7.025 24.863 -10.122 12 H LEU 2 H LEU 2 -8.530 18.418 -12.418 13 HA LEU 2 HA LEU 2 -8.519 15.776 -11.528 14 HB2 LEU 2 2HB LEU 2 -8.290 15.098 -13.793 15 HB3 LEU 2 1HB LEU 2 -9.330 16.500 -13.761 16 HG LEU 2 HG LEU 2 -6.412 16.541 -14.591 17 HD11 LEU 2 1HD1 LEU 2 -7.722 15.233 -16.153 18 HD12 LEU 2 2HD1 LEU 2 -7.261 16.778 -16.871 19 HD13 LEU 2 3HD1 LEU 2 -8.903 16.536 -16.282 20 HD21 LEU 2 3HD2 LEU 2 -8.568 18.625 -14.947 21 HD22 LEU 2 1HD2 LEU 2 -6.903 18.733 -15.499 22 HD23 LEU 2 2HD2 LEU 2 -7.252 18.713 -13.772 23 H LYS 3 H LYS 3 -7.045 14.270 -11.304 24 HA LYS 3 HA LYS 3 -5.218 13.091 -11.202 25 HB2 LYS 3 2HB LYS 3 -5.072 13.873 -13.643 26 HB3 LYS 3 1HB LYS 3 -3.834 14.986 -13.100 27 HG2 LYS 3 2HG LYS 3 -3.591 12.021 -12.648 28 HG3 LYS 3 1HG LYS 3 -3.138 12.749 -14.180 29 HD2 LYS 3 2HD LYS 3 -1.512 14.175 -12.959 30 HD3 LYS 3 1HD LYS 3 -1.940 13.327 -11.464 31 HE2 LYS 3 2HE LYS 3 -1.179 11.233 -12.367 32 HE3 LYS 3 1HE LYS 3 -0.934 11.952 -13.955 33 HZ1 LYS 3 3HZ LYS 3 0.632 12.563 -11.496 34 HZ2 LYS 3 1HZ LYS 3 0.842 13.306 -12.997 35 HZ3 LYS 3 2HZ LYS 3 1.139 11.663 -12.805 36 H HIS 4 H HIS 4 -5.181 13.727 -9.048 37 HA HIS 4 HA HIS 4 -2.617 14.991 -8.413 38 HB2 HIS 4 2HB HIS 4 -5.243 15.332 -6.990 39 HB3 HIS 4 1HB HIS 4 -3.741 15.439 -6.086 40 HD1 HIS 4 1HD HIS 4 -6.056 17.674 -7.215 41 HD2 HIS 4 2HD HIS 4 -1.966 17.362 -7.906 42 HE1 HIS 4 1HE HIS 4 -5.271 19.997 -7.785 43 HE2 HIS 4 2HE HIS 4 -2.800 19.794 -8.158 44 H GLY 5 H GLY 5 -1.459 14.035 -6.699 45 HA2 GLY 5 2HA GLY 5 -2.489 11.462 -5.789 46 HA3 GLY 5 1HA GLY 5 -0.963 11.526 -6.676 47 H LYS 6 H LYS 6 -2.282 11.434 -3.730 48 HA LYS 6 HA LYS 6 -0.121 12.994 -2.491 49 HB2 LYS 6 2HB LYS 6 -1.511 13.013 -0.466 50 HB3 LYS 6 1HB LYS 6 -2.333 13.723 -1.841 51 HG2 LYS 6 2HG LYS 6 -3.626 11.674 -2.152 52 HG3 LYS 6 1HG LYS 6 -2.785 10.933 -0.797 53 HD2 LYS 6 2HD LYS 6 -4.880 11.633 0.059 54 HD3 LYS 6 1HD LYS 6 -3.710 12.811 0.636 55 HE2 LYS 6 2HE LYS 6 -5.475 13.229 -1.786 56 HE3 LYS 6 1HE LYS 6 -5.905 13.752 -0.170 57 HZ1 LYS 6 3HZ LYS 6 -3.891 15.181 -0.208 58 HZ2 LYS 6 1HZ LYS 6 -5.008 15.573 -1.392 59 HZ3 LYS 6 2HZ LYS 6 -3.620 14.755 -1.810 60 H TYR 7 H TYR 7 1.153 12.039 -0.889 61 HA TYR 7 HA TYR 7 1.226 9.136 -0.984 62 HB2 TYR 7 2HB TYR 7 3.126 11.206 0.084 63 HB3 TYR 7 1HB TYR 7 3.265 9.520 0.550 64 HD1 TYR 7 2HD TYR 7 3.804 7.829 -1.144 65 HD2 TYR 7 1HD TYR 7 3.849 11.973 -2.062 66 HE1 TYR 7 2HE TYR 7 5.178 7.356 -3.112 67 HE2 TYR 7 1HE TYR 7 5.229 11.515 -4.051 68 HH TYR 7 HH TYR 7 6.790 9.757 -4.819 69 H VAL 8 H VAL 8 0.462 7.899 0.515 70 HA VAL 8 HA VAL 8 0.038 8.972 3.199 71 HB VAL 8 HB VAL 8 -2.009 7.601 3.417 72 HG11 VAL 8 1HG1 VAL 8 -2.159 9.486 1.073 73 HG12 VAL 8 2HG1 VAL 8 -2.307 9.919 2.773 74 HG13 VAL 8 3HG1 VAL 8 -3.536 8.910 2.014 75 HG21 VAL 8 3HG2 VAL 8 -1.607 7.000 0.491 76 HG22 VAL 8 1HG2 VAL 8 -3.063 6.608 1.408 77 HG23 VAL 8 2HG2 VAL 8 -1.525 5.853 1.827 78 H TYR 9 H TYR 9 -0.459 6.823 4.607 79 HA TYR 9 HA TYR 9 1.590 4.893 3.791 80 HB2 TYR 9 2HB TYR 9 1.116 6.007 6.564 81 HB3 TYR 9 1HB TYR 9 2.168 4.644 6.193 82 HD1 TYR 9 2HD TYR 9 1.734 8.279 5.877 83 HD2 TYR 9 1HD TYR 9 4.343 4.985 5.244 84 HE1 TYR 9 2HE TYR 9 3.594 9.835 5.504 85 HE2 TYR 9 1HE TYR 9 6.213 6.534 4.874 86 HH TYR 9 HH TYR 9 6.012 9.817 5.652 87 H ILE 10 H ILE 10 1.024 2.840 3.969 88 HA ILE 10 HA ILE 10 -1.676 2.286 4.899 89 HB ILE 10 HB ILE 10 0.378 0.356 3.782 90 HG12 ILE 10 2HG1 ILE 10 -0.198 1.914 2.050 91 HG13 ILE 10 1HG1 ILE 10 -1.052 0.411 1.719 92 HG21 ILE 10 1HG2 ILE 10 -1.226 -0.804 5.166 93 HG22 ILE 10 2HG2 ILE 10 -1.490 -1.209 3.468 94 HG23 ILE 10 3HG2 ILE 10 -2.563 -0.069 4.282 95 HD11 ILE 10 3HD1 ILE 10 -2.544 2.218 1.290 96 HD12 ILE 10 1HD1 ILE 10 -2.186 2.944 2.864 97 HD13 ILE 10 2HD1 ILE 10 -3.052 1.421 2.788 98 H ASP 11 H ASP 11 -2.168 1.441 6.776 99 HA ASP 11 HA ASP 11 -0.133 1.458 8.763 100 HB2 ASP 11 2HB ASP 11 -2.372 2.339 9.287 101 HB3 ASP 11 1HB ASP 11 -3.063 0.745 9.038 102 H LEU 12 H LEU 12 1.200 -0.125 8.146 103 HA LEU 12 HA LEU 12 0.401 -2.883 8.200 104 HB2 LEU 12 2HB LEU 12 3.161 -1.687 8.480 105 HB3 LEU 12 1HB LEU 12 2.799 -3.367 8.158 106 HG LEU 12 HG LEU 12 2.236 -1.075 6.279 107 HD11 LEU 12 1HD1 LEU 12 4.374 -3.197 6.236 108 HD12 LEU 12 2HD1 LEU 12 4.622 -1.479 6.549 109 HD13 LEU 12 3HD1 LEU 12 4.072 -2.016 4.964 110 HD21 LEU 12 3HD2 LEU 12 2.009 -4.062 5.907 111 HD22 LEU 12 1HD2 LEU 12 1.777 -2.842 4.652 112 HD23 LEU 12 2HD2 LEU 12 0.667 -2.917 6.018 113 H ASN 13 H ASN 13 1.962 -0.572 10.262 114 HA ASN 13 HA ASN 13 2.092 -0.226 12.505 115 HB2 ASN 13 2HB ASN 13 -0.263 -0.892 12.639 116 HB3 ASN 13 1HB ASN 13 0.207 -2.583 12.729 117 HD21 ASN 13 1HD2 ASN 13 -0.066 0.425 14.443 118 HD22 ASN 13 2HD2 ASN 13 0.213 -0.231 16.011 119 H ASN 14 H ASN 14 3.001 -3.129 11.170 120 HA ASN 14 HA ASN 14 4.151 -4.483 13.409 121 HB2 ASN 14 2HB ASN 14 5.020 -6.067 11.677 122 HB3 ASN 14 1HB ASN 14 3.283 -5.810 11.618 123 HD21 ASN 14 1HD2 ASN 14 3.196 -6.492 9.503 124 HD22 ASN 14 2HD2 ASN 14 3.759 -5.541 8.176 125 H GLY 15 H GLY 15 5.132 -1.841 12.553 126 HA2 GLY 15 2HA GLY 15 7.265 -1.000 13.421 127 HA3 GLY 15 1HA GLY 15 7.994 -2.509 12.903 128 H LYS 16 H LYS 16 6.058 -1.599 10.420 129 HA LYS 16 HA LYS 16 7.708 0.484 9.378 130 HB2 LYS 16 2HB LYS 16 8.246 -0.728 7.289 131 HB3 LYS 16 1HB LYS 16 9.011 -1.460 8.684 132 HG2 LYS 16 2HG LYS 16 7.193 -3.168 8.695 133 HG3 LYS 16 1HG LYS 16 6.600 -2.465 7.190 134 HD2 LYS 16 2HD LYS 16 8.769 -2.897 6.132 135 HD3 LYS 16 1HD LYS 16 9.358 -3.591 7.638 136 HE2 LYS 16 2HE LYS 16 7.560 -5.302 7.482 137 HE3 LYS 16 1HE LYS 16 7.137 -4.648 5.901 138 HZ1 LYS 16 3HZ LYS 16 9.737 -5.813 6.681 139 HZ2 LYS 16 1HZ LYS 16 9.415 -5.147 5.164 140 HZ3 LYS 16 2HZ LYS 16 8.618 -6.548 5.686 141 H TYR 17 H TYR 17 6.789 1.296 7.363 142 HA TYR 17 HA TYR 17 3.970 0.597 6.958 143 HB2 TYR 17 2HB TYR 17 5.096 3.334 7.541 144 HB3 TYR 17 1HB TYR 17 3.642 3.136 6.580 145 HD1 TYR 17 2HD TYR 17 4.986 1.877 9.834 146 HD2 TYR 17 1HD TYR 17 1.662 3.430 7.710 147 HE1 TYR 17 2HE TYR 17 3.651 1.834 11.880 148 HE2 TYR 17 1HE TYR 17 0.333 3.393 9.762 149 HH TYR 17 HH TYR 17 0.324 2.205 11.852 150 H VAL 18 H VAL 18 3.279 1.005 4.856 151 HA VAL 18 HA VAL 18 5.489 1.466 3.033 152 HB VAL 18 HB VAL 18 4.420 -0.646 2.538 153 HG11 VAL 18 1HG1 VAL 18 2.054 -0.854 1.995 154 HG12 VAL 18 2HG1 VAL 18 1.827 0.848 2.397 155 HG13 VAL 18 3HG1 VAL 18 2.319 -0.300 3.650 156 HG21 VAL 18 3HG2 VAL 18 3.495 1.420 0.549 157 HG22 VAL 18 1HG2 VAL 18 3.638 -0.310 0.236 158 HG23 VAL 18 2HG2 VAL 18 5.078 0.645 0.586 159 H LYS 19 H LYS 19 5.544 3.121 1.733 160 HA LYS 19 HA LYS 19 3.554 5.183 2.199 161 HB2 LYS 19 2HB LYS 19 5.963 5.627 2.652 162 HB3 LYS 19 1HB LYS 19 6.299 5.330 0.956 163 HG2 LYS 19 2HG LYS 19 4.980 7.228 0.320 164 HG3 LYS 19 1HG LYS 19 4.515 7.516 2.001 165 HD2 LYS 19 2HD LYS 19 6.894 7.823 2.561 166 HD3 LYS 19 1HD LYS 19 7.300 7.618 0.860 167 HE2 LYS 19 2HE LYS 19 5.951 9.574 0.298 168 HE3 LYS 19 1HE LYS 19 5.511 9.753 1.995 169 HZ1 LYS 19 3HZ LYS 19 7.830 10.153 2.520 170 HZ2 LYS 19 1HZ LYS 19 7.291 11.253 1.376 171 HZ3 LYS 19 2HZ LYS 19 8.266 9.963 0.909 172 H VAL 20 H VAL 20 2.015 5.141 0.767 173 HA VAL 20 HA VAL 20 2.669 4.406 -1.989 174 HB VAL 20 HB VAL 20 1.344 2.661 -0.872 175 HG11 VAL 20 1HG1 VAL 20 -0.733 4.780 -0.432 176 HG12 VAL 20 2HG1 VAL 20 0.206 3.944 0.802 177 HG13 VAL 20 3HG1 VAL 20 -0.968 3.054 -0.172 178 HG21 VAL 20 3HG2 VAL 20 -0.543 2.503 -2.475 179 HG22 VAL 20 1HG2 VAL 20 0.981 2.926 -3.255 180 HG23 VAL 20 2HG2 VAL 20 -0.234 4.168 -2.964 181 H ARG 21 H ARG 21 1.912 5.675 -3.562 182 HA ARG 21 HA ARG 21 0.688 8.186 -2.746 183 HB2 ARG 21 2HB ARG 21 2.786 8.142 -4.184 184 HB3 ARG 21 1HB ARG 21 1.787 7.480 -5.470 185 HG2 ARG 21 2HG ARG 21 0.397 9.471 -5.442 186 HG3 ARG 21 1HG ARG 21 1.350 10.133 -4.116 187 HD2 ARG 21 2HD ARG 21 3.357 9.966 -5.615 188 HD3 ARG 21 1HD ARG 21 2.248 9.575 -6.932 189 HE ARG 21 HE ARG 21 1.485 11.963 -5.588 190 HH11 ARG 21 1HH1 ARG 21 3.693 10.730 -8.080 191 HH12 ARG 21 2HH1 ARG 21 3.995 12.266 -8.739 192 HH21 ARG 21 1HH2 ARG 21 1.895 14.055 -6.521 193 HH22 ARG 21 2HH2 ARG 21 2.930 14.186 -7.855 194 H ILE 22 H ILE 22 -1.353 8.390 -2.967 195 HA ILE 22 HA ILE 22 -2.860 6.490 -4.607 196 HB ILE 22 HB ILE 22 -3.923 8.570 -2.687 197 HG12 ILE 22 2HG1 ILE 22 -2.510 7.078 -1.382 198 HG13 ILE 22 1HG1 ILE 22 -4.204 6.767 -1.019 199 HG21 ILE 22 1HG2 ILE 22 -5.951 7.178 -2.670 200 HG22 ILE 22 2HG2 ILE 22 -5.202 6.109 -3.858 201 HG23 ILE 22 3HG2 ILE 22 -5.550 7.782 -4.279 202 HD11 ILE 22 3HD1 ILE 22 -4.142 4.785 -2.397 203 HD12 ILE 22 1HD1 ILE 22 -2.908 4.721 -1.140 204 HD13 ILE 22 2HD1 ILE 22 -2.450 5.102 -2.803 205 H LEU 23 H LEU 23 -3.061 7.270 -6.677 206 HA LEU 23 HA LEU 23 -3.321 10.120 -7.095 207 HB2 LEU 23 2HB LEU 23 -3.868 7.859 -9.034 208 HB3 LEU 23 1HB LEU 23 -3.658 9.545 -9.448 209 HG LEU 23 HG LEU 23 -1.513 7.642 -8.488 210 HD11 LEU 23 1HD1 LEU 23 -0.522 8.036 -10.687 211 HD12 LEU 23 2HD1 LEU 23 -1.918 9.011 -11.139 212 HD13 LEU 23 3HD1 LEU 23 -2.113 7.293 -10.802 213 HD21 LEU 23 3HD2 LEU 23 -1.062 9.802 -7.562 214 HD22 LEU 23 1HD2 LEU 23 -1.310 10.587 -9.127 215 HD23 LEU 23 2HD2 LEU 23 0.060 9.498 -8.887 216 H LYS 24 H LYS 24 -5.148 11.023 -6.546 217 HA LYS 24 HA LYS 24 -7.655 9.535 -6.816 218 HB2 LYS 24 2HB LYS 24 -7.017 9.263 -4.493 219 HB3 LYS 24 1HB LYS 24 -6.683 10.980 -4.338 220 HG2 LYS 24 2HG LYS 24 -9.116 11.407 -4.747 221 HG3 LYS 24 1HG LYS 24 -9.373 9.664 -4.688 222 HD2 LYS 24 2HD LYS 24 -8.029 11.143 -2.433 223 HD3 LYS 24 1HD LYS 24 -9.777 11.027 -2.539 224 HE2 LYS 24 2HE LYS 24 -7.978 8.609 -2.542 225 HE3 LYS 24 1HE LYS 24 -8.607 9.334 -1.062 226 HZ1 LYS 24 3HZ LYS 24 -10.887 8.988 -2.057 227 HZ2 LYS 24 1HZ LYS 24 -10.063 7.586 -1.658 228 HZ3 LYS 24 2HZ LYS 24 -10.183 8.017 -3.240 229 H SER 25 H SER 25 -8.905 10.677 -8.037 230 HA SER 25 HA SER 25 -9.274 13.474 -7.476 231 HB2 SER 25 2HB SER 25 -8.645 12.449 -10.255 232 HB3 SER 25 1HB SER 25 -9.116 14.104 -9.856 233 HG SER 25 HG SER 25 -7.185 13.418 -8.249 234 H ARG 26 H ARG 26 -11.355 13.399 -6.937 235 HA ARG 26 HA ARG 26 -13.138 11.553 -8.273 236 HB2 ARG 26 2HB ARG 26 -13.251 11.977 -5.799 237 HB3 ARG 26 1HB ARG 26 -13.816 13.603 -6.158 238 HG2 ARG 26 2HG ARG 26 -15.792 12.686 -7.251 239 HG3 ARG 26 1HG ARG 26 -15.220 11.051 -6.932 240 HD2 ARG 26 2HD ARG 26 -15.312 11.538 -4.513 241 HD3 ARG 26 1HD ARG 26 -15.971 13.130 -4.880 242 HE ARG 26 HE ARG 26 -17.498 11.107 -6.125 243 HH11 ARG 26 1HH1 ARG 26 -16.934 12.520 -2.936 244 HH12 ARG 26 2HH1 ARG 26 -18.472 12.083 -2.332 245 HH21 ARG 26 1HH2 ARG 26 -19.613 10.536 -5.263 246 HH22 ARG 26 2HH2 ARG 26 -19.997 10.970 -3.658 247 H ASP 27 H ASP 27 -11.976 14.560 -8.883 248 HA ASP 27 HA ASP 27 -13.925 16.297 -9.667 249 HB2 ASP 27 2HB ASP 27 -11.353 15.679 -11.121 250 HB3 ASP 27 1HB ASP 27 -12.395 17.026 -11.537 251 H ASP 28 H ASP 28 -12.597 13.776 -11.741 252 HA ASP 28 HA ASP 28 -14.415 14.266 -13.879 253 HB2 ASP 28 2HB ASP 28 -12.243 13.197 -14.226 254 HB3 ASP 28 1HB ASP 28 -12.773 11.811 -13.284 255 H ASN 29 H ASN 29 -14.162 11.493 -11.705 256 HA ASN 29 HA ASN 29 -16.951 11.305 -11.199 257 HB2 ASN 29 2HB ASN 29 -17.050 10.404 -13.486 258 HB3 ASN 29 1HB ASN 29 -15.777 9.255 -13.118 259 HD21 ASN 29 1HD2 ASN 29 -17.019 7.476 -13.605 260 HD22 ASN 29 2HD2 ASN 29 -18.344 6.973 -12.637 261 H SER 30 H SER 30 -14.316 8.988 -11.678 262 HA SER 30 HA SER 30 -13.872 8.738 -8.863 263 HB2 SER 30 2HB SER 30 -14.303 6.251 -8.902 264 HB3 SER 30 1HB SER 30 -15.768 7.228 -9.048 265 HG SER 30 HG SER 30 -14.440 6.483 -11.370 266 H VAL 31 H VAL 31 -11.740 9.238 -9.227 267 HA VAL 31 HA VAL 31 -10.289 7.378 -10.966 268 HB VAL 31 HB VAL 31 -9.557 10.275 -10.447 269 HG11 VAL 31 1HG1 VAL 31 -8.299 8.247 -12.296 270 HG12 VAL 31 2HG1 VAL 31 -7.600 8.882 -10.807 271 HG13 VAL 31 3HG1 VAL 31 -7.852 9.950 -12.186 272 HG21 VAL 31 3HG2 VAL 31 -10.116 10.691 -12.797 273 HG22 VAL 31 1HG2 VAL 31 -11.519 10.132 -11.889 274 HG23 VAL 31 2HG2 VAL 31 -10.666 9.024 -12.963 275 H GLU 32 H GLU 32 -9.446 6.007 -9.564 276 HA GLU 32 HA GLU 32 -7.474 7.087 -7.767 277 HB2 GLU 32 2HB GLU 32 -9.554 5.081 -6.998 278 HB3 GLU 32 1HB GLU 32 -7.975 5.071 -6.224 279 HG2 GLU 32 2HG GLU 32 -8.308 7.426 -5.615 280 HG3 GLU 32 1HG GLU 32 -9.925 7.322 -6.319 281 H LYS 33 H LYS 33 -5.723 6.555 -8.539 282 HA LYS 33 HA LYS 33 -5.317 3.835 -9.576 283 HB2 LYS 33 2HB LYS 33 -3.864 6.377 -10.338 284 HB3 LYS 33 1HB LYS 33 -3.528 4.779 -10.972 285 HG2 LYS 33 2HG LYS 33 -5.698 4.732 -12.053 286 HG3 LYS 33 1HG LYS 33 -6.086 6.313 -11.367 287 HD2 LYS 33 2HD LYS 33 -4.188 7.294 -12.549 288 HD3 LYS 33 1HD LYS 33 -3.792 5.721 -13.231 289 HE2 LYS 33 2HE LYS 33 -6.328 7.289 -13.701 290 HE3 LYS 33 1HE LYS 33 -4.986 7.122 -14.828 291 HZ1 LYS 33 3HZ LYS 33 -6.737 5.641 -15.425 292 HZ2 LYS 33 1HZ LYS 33 -6.786 4.944 -13.896 293 HZ3 LYS 33 2HZ LYS 33 -5.447 4.708 -14.891 294 H TYR 34 H TYR 34 -3.666 2.754 -8.604 295 HA TYR 34 HA TYR 34 -2.399 4.229 -6.436 296 HB2 TYR 34 2HB TYR 34 -2.821 1.241 -6.699 297 HB3 TYR 34 1HB TYR 34 -2.165 2.083 -5.293 298 HD1 TYR 34 2HD TYR 34 -3.636 3.766 -4.122 299 HD2 TYR 34 1HD TYR 34 -5.156 1.016 -6.956 300 HE1 TYR 34 2HE TYR 34 -5.923 4.199 -3.300 301 HE2 TYR 34 1HE TYR 34 -7.436 1.441 -6.168 302 HH TYR 34 HH TYR 34 -8.239 4.053 -4.117 303 H VAL 35 H VAL 35 -0.259 4.282 -6.240 304 HA VAL 35 HA VAL 35 1.259 3.817 -8.570 305 HB VAL 35 HB VAL 35 1.730 5.572 -6.813 306 HG11 VAL 35 1HG1 VAL 35 1.487 4.314 -4.829 307 HG12 VAL 35 2HG1 VAL 35 3.129 4.966 -4.894 308 HG13 VAL 35 3HG1 VAL 35 2.833 3.264 -5.269 309 HG21 VAL 35 3HG2 VAL 35 4.038 3.798 -7.564 310 HG22 VAL 35 1HG2 VAL 35 4.180 5.462 -7.003 311 HG23 VAL 35 2HG2 VAL 35 3.370 5.117 -8.530 312 H LEU 36 H LEU 36 2.995 2.273 -8.865 313 HA LEU 36 HA LEU 36 2.114 -0.260 -7.930 314 HB2 LEU 36 2HB LEU 36 4.116 0.541 -10.034 315 HB3 LEU 36 1HB LEU 36 3.752 -1.106 -9.603 316 HG LEU 36 HG LEU 36 2.598 -0.624 -11.621 317 HD11 LEU 36 1HD1 LEU 36 0.263 -0.959 -11.070 318 HD12 LEU 36 2HD1 LEU 36 0.595 -0.548 -9.392 319 HD13 LEU 36 3HD1 LEU 36 1.330 -1.983 -10.112 320 HD21 LEU 36 3HD2 LEU 36 2.604 1.808 -11.563 321 HD22 LEU 36 1HD2 LEU 36 1.404 1.797 -10.270 322 HD23 LEU 36 2HD2 LEU 36 0.972 1.203 -11.871 323 H THR 37 H THR 37 4.208 1.896 -6.693 324 HA THR 37 HA THR 37 6.266 -0.037 -6.074 325 HB THR 37 HB THR 37 6.945 2.310 -6.636 326 HG1 THR 37 1HG THR 37 8.576 2.115 -5.357 327 HG21 THR 37 3HG2 THR 37 5.074 3.517 -5.600 328 HG22 THR 37 1HG2 THR 37 6.614 4.103 -4.972 329 HG23 THR 37 2HG2 THR 37 5.624 3.011 -4.005 330 H SER 38 H SER 38 6.897 -0.384 -3.867 331 HA SER 38 HA SER 38 4.691 -0.249 -1.963 332 HB2 SER 38 2HB SER 38 6.439 -2.662 -2.508 333 HB3 SER 38 1HB SER 38 5.091 -2.574 -1.371 334 HG SER 38 HG SER 38 4.027 -1.790 -3.515 335 H HIS 39 H HIS 39 7.124 1.166 -2.564 336 HA HIS 39 HA HIS 39 9.292 0.780 -0.952 337 HB2 HIS 39 2HB HIS 39 9.490 2.463 -2.530 338 HB3 HIS 39 1HB HIS 39 7.939 3.167 -2.131 339 HD1 HIS 39 1HD HIS 39 11.496 3.018 -0.776 340 HD2 HIS 39 2HD HIS 39 8.021 5.226 -0.559 341 HE1 HIS 39 1HE HIS 39 12.113 5.030 0.562 342 HE2 HIS 39 2HE HIS 39 10.082 6.480 0.518 343 H VAL 40 H VAL 40 9.551 0.601 1.138 344 HA VAL 40 HA VAL 40 7.448 1.536 2.892 345 HB VAL 40 HB VAL 40 8.573 0.010 4.627 346 HG11 VAL 40 1HG1 VAL 40 7.432 -1.967 3.723 347 HG12 VAL 40 2HG1 VAL 40 7.301 -1.164 2.158 348 HG13 VAL 40 3HG1 VAL 40 6.454 -0.510 3.562 349 HG21 VAL 40 3HG2 VAL 40 10.681 -0.296 3.370 350 HG22 VAL 40 1HG2 VAL 40 9.781 -1.154 2.120 351 HG23 VAL 40 2HG2 VAL 40 9.884 -1.829 3.747 352 H SER 41 H SER 41 7.842 2.355 4.904 353 HA SER 41 HA SER 41 10.286 3.946 5.134 354 HB2 SER 41 2HB SER 41 8.193 5.284 4.870 355 HB3 SER 41 1HB SER 41 7.519 4.470 6.280 356 HG SER 41 HG SER 41 9.405 6.482 6.099 357 H LYS 42 H LYS 42 11.136 4.104 7.243 358 HA LYS 42 HA LYS 42 10.878 1.637 8.753 359 HB2 LYS 42 2HB LYS 42 13.073 2.451 7.989 360 HB3 LYS 42 1HB LYS 42 12.829 3.944 8.870 361 HG2 LYS 42 2HG LYS 42 12.897 2.701 10.976 362 HG3 LYS 42 1HG LYS 42 13.154 1.207 10.061 363 HD2 LYS 42 2HD LYS 42 15.222 2.072 9.157 364 HD3 LYS 42 1HD LYS 42 14.949 3.626 9.939 365 HE2 LYS 42 2HE LYS 42 15.374 0.993 11.352 366 HE3 LYS 42 1HE LYS 42 16.581 2.259 11.153 367 HZ1 LYS 42 3HZ LYS 42 15.077 3.750 12.415 368 HZ2 LYS 42 1HZ LYS 42 15.623 2.407 13.297 369 HZ3 LYS 42 2HZ LYS 42 14.063 2.417 12.687 370 H ASN 43 H ASN 43 9.400 4.539 8.742 371 HA ASN 43 HA ASN 43 9.343 4.849 11.658 372 HB2 ASN 43 2HB ASN 43 8.603 6.787 9.465 373 HB3 ASN 43 1HB ASN 43 8.279 7.082 11.164 374 HD21 ASN 43 1HD2 ASN 43 10.712 6.890 8.699 375 HD22 ASN 43 2HD2 ASN 43 11.986 7.570 9.623 376 H ARG 44 H ARG 44 7.426 4.913 12.744 377 HA ARG 44 HA ARG 44 5.053 4.088 11.264 378 HB2 ARG 44 2HB ARG 44 5.530 4.099 14.270 379 HB3 ARG 44 1HB ARG 44 4.090 3.485 13.470 380 HG2 ARG 44 2HG ARG 44 5.772 1.902 12.253 381 HG3 ARG 44 1HG ARG 44 6.840 2.328 13.580 382 HD2 ARG 44 2HD ARG 44 4.082 1.132 13.876 383 HD3 ARG 44 1HD ARG 44 5.588 0.245 13.998 384 HE ARG 44 HE ARG 44 5.486 2.407 15.835 385 HH11 ARG 44 1HH1 ARG 44 4.188 -0.894 15.320 386 HH12 ARG 44 2HH1 ARG 44 4.076 -1.233 16.965 387 HH21 ARG 44 1HH2 ARG 44 5.273 1.893 18.121 388 HH22 ARG 44 2HH2 ARG 44 4.670 0.372 18.583 389 HA PRO 45 HA PRO 45 4.540 8.552 11.748 390 HB2 PRO 45 2HB PRO 45 2.641 8.411 9.564 391 HB3 PRO 45 1HB PRO 45 4.234 9.172 9.608 392 HG2 PRO 45 2HG PRO 45 3.695 6.951 8.141 393 HG3 PRO 45 1HG PRO 45 5.294 7.298 8.826 394 HD2 PRO 45 2HD PRO 45 3.154 5.465 9.846 395 HD3 PRO 45 1HD PRO 45 4.913 5.224 9.725 396 H LYS 46 H LYS 46 3.059 9.908 12.444 397 HA LYS 46 HA LYS 46 0.407 8.901 13.202 398 HB2 LYS 46 2HB LYS 46 1.831 9.505 15.109 399 HB3 LYS 46 1HB LYS 46 2.115 11.091 14.413 400 HG2 LYS 46 2HG LYS 46 -0.278 11.599 14.662 401 HG3 LYS 46 1HG LYS 46 -0.514 10.017 15.411 402 HD2 LYS 46 2HD LYS 46 1.063 10.631 17.184 403 HD3 LYS 46 1HD LYS 46 1.282 12.210 16.434 404 HE2 LYS 46 2HE LYS 46 -1.083 12.713 16.770 405 HE3 LYS 46 1HE LYS 46 -1.320 11.114 17.471 406 HZ1 LYS 46 3HZ LYS 46 0.160 11.728 19.281 407 HZ2 LYS 46 1HZ LYS 46 -1.106 12.828 19.169 408 HZ3 LYS 46 2HZ LYS 46 0.424 13.237 18.606 409 H ASN 47 H ASN 47 2.246 11.731 12.102 410 HA ASN 47 HA ASN 47 -0.178 13.118 11.364 411 HB2 ASN 47 2HB ASN 47 2.717 13.951 11.327 412 HB3 ASN 47 1HB ASN 47 1.452 14.935 10.603 413 HD21 ASN 47 1HD2 ASN 47 3.253 15.324 12.946 414 HD22 ASN 47 2HD2 ASN 47 2.205 15.718 14.252 415 H ALA 48 H ALA 48 -0.602 11.306 9.906 416 HA ALA 48 HA ALA 48 -0.441 12.191 7.250 417 HB1 ALA 48 1HB ALA 48 1.789 11.142 7.311 418 HB2 ALA 48 2HB ALA 48 0.682 10.177 6.333 419 HB3 ALA 48 3HB ALA 48 1.080 9.669 7.976 420 H ILE 49 H ILE 49 -1.768 10.632 5.947 421 HA ILE 49 HA ILE 49 -3.777 9.477 7.667 422 HB ILE 49 HB ILE 49 -3.663 9.621 4.632 423 HG12 ILE 49 2HG1 ILE 49 -3.879 11.851 5.639 424 HG13 ILE 49 1HG1 ILE 49 -5.372 11.396 4.828 425 HG21 ILE 49 1HG2 ILE 49 -6.047 8.996 4.680 426 HG22 ILE 49 2HG2 ILE 49 -5.936 8.799 6.434 427 HG23 ILE 49 3HG2 ILE 49 -5.014 7.740 5.378 428 HD11 ILE 49 3HD1 ILE 49 -5.835 12.521 6.917 429 HD12 ILE 49 1HD1 ILE 49 -4.850 11.354 7.799 430 HD13 ILE 49 2HD1 ILE 49 -6.345 10.836 7.025 431 H VAL 50 H VAL 50 -3.699 7.482 8.300 432 HA VAL 50 HA VAL 50 -2.102 5.641 6.731 433 HB VAL 50 HB VAL 50 -1.907 4.211 8.764 434 HG11 VAL 50 1HG1 VAL 50 -0.952 7.042 9.122 435 HG12 VAL 50 2HG1 VAL 50 -0.125 5.743 8.257 436 HG13 VAL 50 3HG1 VAL 50 -0.339 5.641 10.002 437 HG21 VAL 50 3HG2 VAL 50 -3.233 6.521 10.197 438 HG22 VAL 50 1HG2 VAL 50 -2.493 5.121 10.976 439 HG23 VAL 50 2HG2 VAL 50 -3.919 4.912 9.964 440 H ILE 51 H ILE 51 -3.030 4.116 5.699 441 HA ILE 51 HA ILE 51 -5.923 3.766 6.090 442 HB ILE 51 HB ILE 51 -4.267 3.158 3.609 443 HG12 ILE 51 2HG1 ILE 51 -6.145 5.471 4.161 444 HG13 ILE 51 1HG1 ILE 51 -4.392 5.574 4.076 445 HG21 ILE 51 1HG2 ILE 51 -7.266 3.200 3.986 446 HG22 ILE 51 2HG2 ILE 51 -6.272 1.759 3.779 447 HG23 ILE 51 3HG2 ILE 51 -6.421 2.922 2.461 448 HD11 ILE 51 3HD1 ILE 51 -6.227 4.827 1.806 449 HD12 ILE 51 1HD1 ILE 51 -4.472 4.938 1.718 450 HD13 ILE 51 2HD1 ILE 51 -5.433 6.386 2.028 451 H LYS 52 H LYS 52 -6.790 1.769 6.275 452 HA LYS 52 HA LYS 52 -5.147 -0.326 7.357 453 HB2 LYS 52 2HB LYS 52 -7.389 0.318 8.182 454 HB3 LYS 52 1HB LYS 52 -8.090 -0.256 6.678 455 HG2 LYS 52 2HG LYS 52 -7.202 -2.532 7.245 456 HG3 LYS 52 1HG LYS 52 -6.741 -1.878 8.820 457 HD2 LYS 52 2HD LYS 52 -9.532 -1.997 7.668 458 HD3 LYS 52 1HD LYS 52 -8.901 -2.988 8.982 459 HE2 LYS 52 2HE LYS 52 -8.628 -1.000 10.375 460 HE3 LYS 52 1HE LYS 52 -9.179 0.021 9.054 461 HZ1 LYS 52 3HZ LYS 52 -10.942 -0.380 10.620 462 HZ2 LYS 52 1HZ LYS 52 -10.801 -2.051 10.414 463 HZ3 LYS 52 2HZ LYS 52 -11.314 -1.092 9.133 464 H MET 53 H MET 53 -4.749 -2.349 6.398 465 HA MET 53 HA MET 53 -4.245 -2.585 3.677 466 HB2 MET 53 2HB MET 53 -4.904 -4.839 5.583 467 HB3 MET 53 1HB MET 53 -4.228 -5.058 3.987 468 HG2 MET 53 2HG MET 53 -2.212 -3.858 4.701 469 HG3 MET 53 1HG MET 53 -2.906 -3.680 6.315 470 HE1 MET 53 3HE MET 53 -0.824 -4.837 7.435 471 HE2 MET 53 1HE MET 53 -0.051 -5.043 5.864 472 HE3 MET 53 2HE MET 53 -0.184 -6.411 6.970 473 H ASP 54 H ASP 54 -7.055 -3.619 5.438 474 HA ASP 54 HA ASP 54 -8.401 -5.125 3.514 475 HB2 ASP 54 2HB ASP 54 -8.955 -5.153 5.901 476 HB3 ASP 54 1HB ASP 54 -9.569 -3.513 5.787 477 H ASN 55 H ASN 55 -8.106 -1.698 3.681 478 HA ASN 55 HA ASN 55 -10.497 -1.111 2.177 479 HB2 ASN 55 2HB ASN 55 -9.592 0.550 3.745 480 HB3 ASN 55 1HB ASN 55 -8.099 0.626 2.821 481 HD21 ASN 55 1HD2 ASN 55 -8.096 1.752 0.827 482 HD22 ASN 55 2HD2 ASN 55 -9.388 2.760 0.343 483 H LEU 56 H LEU 56 -7.184 -1.815 1.477 484 HA LEU 56 HA LEU 56 -7.179 -0.562 -1.084 485 HB2 LEU 56 2HB LEU 56 -5.168 -2.342 0.280 486 HB3 LEU 56 1HB LEU 56 -4.958 -1.781 -1.361 487 HG LEU 56 HG LEU 56 -3.630 -0.438 0.102 488 HD11 LEU 56 1HD1 LEU 56 -4.614 0.724 -1.773 489 HD12 LEU 56 2HD1 LEU 56 -4.430 1.794 -0.389 490 HD13 LEU 56 3HD1 LEU 56 -6.019 1.151 -0.794 491 HD21 LEU 56 3HD2 LEU 56 -4.714 -0.732 2.221 492 HD22 LEU 56 1HD2 LEU 56 -6.171 0.073 1.625 493 HD23 LEU 56 2HD2 LEU 56 -4.700 0.997 1.838 494 HA PRO 57 HA PRO 57 -8.749 -3.811 -3.598 495 HB2 PRO 57 2HB PRO 57 -6.652 -3.038 -5.546 496 HB3 PRO 57 1HB PRO 57 -8.407 -3.133 -5.746 497 HG2 PRO 57 2HG PRO 57 -7.184 -0.778 -5.569 498 HG3 PRO 57 1HG PRO 57 -8.767 -1.054 -4.818 499 HD2 PRO 57 2HD PRO 57 -6.056 -0.975 -3.559 500 HD3 PRO 57 1HD PRO 57 -7.601 -0.320 -2.974 501 H ILE 58 H ILE 58 -8.173 -5.847 -4.368 502 HA ILE 58 HA ILE 58 -6.190 -7.103 -2.905 503 HB ILE 58 HB ILE 58 -6.715 -9.163 -4.242 504 HG12 ILE 58 2HG1 ILE 58 -8.917 -8.997 -5.591 505 HG13 ILE 58 1HG1 ILE 58 -8.617 -7.273 -5.664 506 HG21 ILE 58 1HG2 ILE 58 -7.816 -8.679 -2.177 507 HG22 ILE 58 2HG2 ILE 58 -8.977 -9.376 -3.311 508 HG23 ILE 58 3HG2 ILE 58 -8.986 -7.643 -2.996 509 HD11 ILE 58 3HD1 ILE 58 -7.938 -8.366 -7.715 510 HD12 ILE 58 1HD1 ILE 58 -6.863 -9.435 -6.810 511 HD13 ILE 58 2HD1 ILE 58 -6.533 -7.705 -6.878 512 H GLU 59 H GLU 59 -5.951 -5.727 -6.045 513 HA GLU 59 HA GLU 59 -3.643 -7.155 -6.828 514 HB2 GLU 59 2HB GLU 59 -3.402 -5.463 -8.573 515 HB3 GLU 59 1HB GLU 59 -5.037 -6.092 -8.493 516 HG2 GLU 59 2HG GLU 59 -5.794 -4.087 -7.387 517 HG3 GLU 59 1HG GLU 59 -4.144 -3.473 -7.307 518 H VAL 60 H VAL 60 -4.210 -4.194 -5.069 519 HA VAL 60 HA VAL 60 -1.529 -3.250 -5.128 520 HB VAL 60 HB VAL 60 -3.738 -2.584 -3.150 521 HG11 VAL 60 1HG1 VAL 60 -2.503 -0.493 -2.779 522 HG12 VAL 60 2HG1 VAL 60 -1.232 -1.060 -3.863 523 HG13 VAL 60 3HG1 VAL 60 -1.542 -1.907 -2.348 524 HG21 VAL 60 3HG2 VAL 60 -4.177 -0.619 -4.564 525 HG22 VAL 60 1HG2 VAL 60 -4.475 -2.130 -5.420 526 HG23 VAL 60 2HG2 VAL 60 -3.003 -1.211 -5.739 527 H LYS 61 H LYS 61 -3.539 -4.965 -2.792 528 HA LYS 61 HA LYS 61 -1.592 -5.209 -0.777 529 HB2 LYS 61 2HB LYS 61 -3.918 -7.029 -1.347 530 HB3 LYS 61 1HB LYS 61 -2.985 -7.022 0.145 531 HG2 LYS 61 2HG LYS 61 -3.694 -4.624 0.443 532 HG3 LYS 61 1HG LYS 61 -4.789 -4.863 -0.918 533 HD2 LYS 61 2HD LYS 61 -4.786 -6.440 1.652 534 HD3 LYS 61 1HD LYS 61 -5.929 -5.170 1.228 535 HE2 LYS 61 2HE LYS 61 -6.754 -6.512 -0.626 536 HE3 LYS 61 1HE LYS 61 -5.558 -7.760 -0.280 537 HZ1 LYS 61 3HZ LYS 61 -7.691 -8.360 0.652 538 HZ2 LYS 61 1HZ LYS 61 -7.763 -6.903 1.493 539 HZ3 LYS 61 2HZ LYS 61 -6.603 -8.045 1.908 540 H ASP 62 H ASP 62 -2.228 -7.126 -3.606 541 HA ASP 62 HA ASP 62 -0.604 -9.336 -3.025 542 HB2 ASP 62 2HB ASP 62 -2.063 -9.509 -4.894 543 HB3 ASP 62 1HB ASP 62 -1.416 -8.045 -5.622 544 H LYS 63 H LYS 63 0.124 -6.310 -4.708 545 HA LYS 63 HA LYS 63 2.854 -6.914 -5.143 546 HB2 LYS 63 2HB LYS 63 1.577 -4.182 -4.960 547 HB3 LYS 63 1HB LYS 63 3.144 -4.532 -5.666 548 HG2 LYS 63 2HG LYS 63 1.936 -6.002 -7.321 549 HG3 LYS 63 1HG LYS 63 0.433 -5.349 -6.682 550 HD2 LYS 63 2HD LYS 63 0.807 -3.976 -8.508 551 HD3 LYS 63 1HD LYS 63 1.531 -3.039 -7.207 552 HE2 LYS 63 2HE LYS 63 3.043 -4.855 -9.104 553 HE3 LYS 63 1HE LYS 63 2.928 -3.111 -9.266 554 HZ1 LYS 63 3HZ LYS 63 5.002 -3.811 -8.310 555 HZ2 LYS 63 1HZ LYS 63 4.263 -4.545 -6.999 556 HZ3 LYS 63 2HZ LYS 63 4.199 -2.856 -7.232 557 H LEU 64 H LEU 64 1.159 -5.198 -2.598 558 HA LEU 64 HA LEU 64 3.344 -4.296 -1.105 559 HB2 LEU 64 2HB LEU 64 0.660 -5.236 -0.090 560 HB3 LEU 64 1HB LEU 64 1.803 -4.284 0.821 561 HG LEU 64 HG LEU 64 0.253 -3.400 -1.614 562 HD11 LEU 64 1HD1 LEU 64 -0.810 -1.838 -0.066 563 HD12 LEU 64 2HD1 LEU 64 0.104 -2.540 1.266 564 HD13 LEU 64 3HD1 LEU 64 -1.088 -3.515 0.405 565 HD21 LEU 64 3HD2 LEU 64 2.235 -1.859 0.050 566 HD22 LEU 64 1HD2 LEU 64 1.235 -1.184 -1.232 567 HD23 LEU 64 2HD2 LEU 64 2.476 -2.377 -1.622 568 H THR 65 H THR 65 1.554 -7.343 -0.935 569 HA THR 65 HA THR 65 2.992 -8.403 1.202 570 HB THR 65 HB THR 65 1.483 -9.892 -0.965 571 HG1 THR 65 1HG THR 65 0.092 -8.541 0.096 572 HG21 THR 65 3HG2 THR 65 1.318 -11.706 0.693 573 HG22 THR 65 1HG2 THR 65 2.301 -10.770 1.819 574 HG23 THR 65 2HG2 THR 65 3.005 -11.357 0.315 575 H ARG 66 H ARG 66 3.445 -8.747 -2.308 576 HA ARG 66 HA ARG 66 5.526 -10.669 -2.147 577 HB2 ARG 66 2HB ARG 66 4.943 -8.712 -4.359 578 HB3 ARG 66 1HB ARG 66 6.017 -10.092 -4.482 579 HG2 ARG 66 2HG ARG 66 4.106 -11.586 -4.120 580 HG3 ARG 66 1HG ARG 66 3.039 -10.179 -4.042 581 HD2 ARG 66 2HD ARG 66 3.820 -9.534 -6.301 582 HD3 ARG 66 1HD ARG 66 4.745 -11.027 -6.373 583 HE ARG 66 HE ARG 66 1.846 -11.093 -5.954 584 HH11 ARG 66 1HH1 ARG 66 4.663 -11.988 -7.924 585 HH12 ARG 66 2HH1 ARG 66 3.760 -12.813 -9.098 586 HH21 ARG 66 1HH2 ARG 66 0.621 -12.269 -7.511 587 HH22 ARG 66 2HH2 ARG 66 1.383 -13.017 -8.837 588 H PHE 67 H PHE 67 5.537 -7.251 -1.750 589 HA PHE 67 HA PHE 67 8.349 -7.043 -2.417 590 HB2 PHE 67 2HB PHE 67 6.714 -5.310 -3.092 591 HB3 PHE 67 1HB PHE 67 6.516 -4.896 -1.395 592 HD1 PHE 67 1HD PHE 67 8.828 -4.884 -4.229 593 HD2 PHE 67 2HD PHE 67 8.182 -3.561 -0.236 594 HE1 PHE 67 1HE PHE 67 10.710 -3.339 -4.430 595 HE2 PHE 67 2HE PHE 67 10.055 -2.023 -0.436 596 HZ PHE 67 HZ PHE 67 11.336 -1.903 -2.533 597 H PHE 68 H PHE 68 6.382 -6.358 0.478 598 HA PHE 68 HA PHE 68 8.952 -6.442 1.926 599 HB2 PHE 68 2HB PHE 68 8.023 -4.766 3.505 600 HB3 PHE 68 1HB PHE 68 8.253 -4.177 1.864 601 HD1 PHE 68 2HD PHE 68 5.702 -5.407 4.250 602 HD2 PHE 68 1HD PHE 68 6.452 -3.262 0.655 603 HE1 PHE 68 2HE PHE 68 3.373 -4.670 4.205 604 HE2 PHE 68 1HE PHE 68 4.130 -2.525 0.612 605 HZ PHE 68 HZ PHE 68 2.579 -3.221 2.392 606 H LEU 69 H LEU 69 5.818 -7.800 1.897 607 HA LEU 69 HA LEU 69 5.898 -8.271 4.776 608 HB2 LEU 69 2HB LEU 69 3.809 -7.518 3.511 609 HB3 LEU 69 1HB LEU 69 3.773 -9.140 2.849 610 HG LEU 69 HG LEU 69 3.546 -10.044 5.140 611 HD11 LEU 69 1HD1 LEU 69 2.921 -8.521 6.959 612 HD12 LEU 69 2HD1 LEU 69 3.220 -7.137 5.913 613 HD13 LEU 69 3HD1 LEU 69 4.554 -8.191 6.389 614 HD21 LEU 69 3HD2 LEU 69 1.449 -8.038 4.317 615 HD22 LEU 69 1HD2 LEU 69 1.197 -9.388 5.418 616 HD23 LEU 69 2HD2 LEU 69 1.581 -9.695 3.725 617 H LEU 70 H LEU 70 5.509 -10.112 1.796 618 HA LEU 70 HA LEU 70 5.706 -12.195 1.210 619 HB2 LEU 70 2HB LEU 70 8.150 -11.928 2.920 620 HB3 LEU 70 1HB LEU 70 7.802 -13.422 2.082 621 HG LEU 70 HG LEU 70 9.406 -12.210 0.827 622 HD11 LEU 70 1HD1 LEU 70 7.768 -13.377 -0.499 623 HD12 LEU 70 2HD1 LEU 70 8.327 -11.926 -1.324 624 HD13 LEU 70 3HD1 LEU 70 6.746 -11.940 -0.549 625 HD21 LEU 70 3HD2 LEU 70 9.016 -9.948 -0.064 626 HD22 LEU 70 1HD2 LEU 70 9.057 -9.969 1.699 627 HD23 LEU 70 2HD2 LEU 70 7.513 -9.862 0.854 628 H GLU 71 H GLU 71 3.960 -13.098 1.766 629 HA GLU 71 HA GLU 71 2.608 -14.637 2.573 630 HB2 GLU 71 2HB GLU 71 5.091 -15.657 3.268 631 HB3 GLU 71 1HB GLU 71 4.245 -15.639 4.803 632 HG2 GLU 71 2HG GLU 71 2.995 -16.866 2.376 633 HG3 GLU 71 1HG GLU 71 4.158 -17.755 3.353 634 H HIS 72 H HIS 72 1.248 -15.103 4.530 635 HA HIS 72 HA HIS 72 1.018 -12.522 5.956 636 HB2 HIS 72 2HB HIS 72 -1.164 -14.341 4.950 637 HB3 HIS 72 1HB HIS 72 -1.453 -13.002 6.043 638 HD1 HIS 72 1HD HIS 72 -1.724 -10.691 4.986 639 HD2 HIS 72 2HD HIS 72 -0.348 -13.565 2.309 640 HE1 HIS 72 1HE HIS 72 -1.877 -9.639 2.732 641 HE2 HIS 72 2HE HIS 72 -1.381 -11.487 1.147 642 H HIS 73 H HIS 73 2.285 -15.157 6.846 643 HA HIS 73 HA HIS 73 0.482 -15.794 8.993 644 HB2 HIS 73 2HB HIS 73 2.898 -17.154 7.955 645 HB3 HIS 73 1HB HIS 73 2.565 -17.354 9.668 646 HD1 HIS 73 1HD HIS 73 1.489 -18.479 6.312 647 HD2 HIS 73 2HD HIS 73 0.080 -18.654 10.219 648 HE1 HIS 73 1HE HIS 73 -0.295 -20.223 6.312 649 HE2 HIS 73 2HE HIS 73 -1.330 -20.041 8.589 650 H HIS 74 H HIS 74 3.880 -15.798 9.792 651 HA HIS 74 HA HIS 74 3.820 -13.417 11.347 652 HB2 HIS 74 2HB HIS 74 3.504 -16.088 12.767 653 HB3 HIS 74 1HB HIS 74 4.155 -14.686 13.566 654 HD1 HIS 74 1HD HIS 74 1.055 -16.423 12.960 655 HD2 HIS 74 2HD HIS 74 2.160 -12.481 13.656 656 HE1 HIS 74 1HE HIS 74 -1.055 -15.235 13.620 657 HE2 HIS 74 2HE HIS 74 -0.302 -12.940 14.281 658 H HIS 75 H HIS 75 5.889 -13.499 12.820 659 HA HIS 75 HA HIS 75 7.871 -14.781 11.186 660 HB2 HIS 75 2HB HIS 75 9.652 -13.652 12.553 661 HB3 HIS 75 1HB HIS 75 8.570 -12.559 11.720 662 HD1 HIS 75 1HD HIS 75 9.530 -13.727 15.176 663 HD2 HIS 75 2HD HIS 75 7.182 -10.817 13.366 664 HE1 HIS 75 1HE HIS 75 8.923 -12.123 17.000 665 HE2 HIS 75 2HE HIS 75 7.347 -10.472 15.901 666 H HIS 76 H HIS 76 7.136 -16.703 11.578 667 HA HIS 76 HA HIS 76 8.833 -18.260 13.265 668 HB2 HIS 76 2HB HIS 76 6.834 -17.643 14.791 669 HB3 HIS 76 1HB HIS 76 5.810 -18.507 13.652 670 HD1 HIS 76 1HD HIS 76 5.408 -20.901 14.255 671 HD2 HIS 76 2HD HIS 76 8.919 -19.441 15.916 672 HE1 HIS 76 1HE HIS 76 6.330 -22.779 15.633 673 HE2 HIS 76 2HE HIS 76 8.302 -21.760 16.828 674 H HIS 77 H HIS 77 8.329 -17.620 10.576 675 HA HIS 77 HA HIS 77 6.814 -19.868 9.487 676 HB2 HIS 77 2HB HIS 77 6.093 -17.508 8.974 677 HB3 HIS 77 1HB HIS 77 7.616 -17.291 8.136 678 HD1 HIS 77 1HD HIS 77 7.586 -17.850 5.702 679 HD2 HIS 77 2HD HIS 77 4.413 -19.549 7.764 680 HE1 HIS 77 1HE HIS 77 6.100 -18.808 3.959 681 HE2 HIS 77 2HE HIS 77 4.009 -19.213 5.276 Start of MODEL 16 1 H1 MET 1 1HT MET 1 -4.403 21.539 -1.434 2 H2 MET 1 2HT MET 1 -5.285 20.470 -0.517 3 H3 MET 1 3HT MET 1 -5.296 22.099 -0.109 4 HA MET 1 HA MET 1 -7.337 21.469 -1.132 5 HB2 MET 1 2HB MET 1 -6.585 23.752 -1.567 6 HB3 MET 1 1HB MET 1 -5.614 23.221 -2.922 7 HG2 MET 1 2HG MET 1 -7.699 22.523 -4.076 8 HG3 MET 1 1HG MET 1 -8.613 23.239 -2.746 9 HE1 MET 1 2HE MET 1 -9.088 25.790 -5.733 10 HE2 MET 1 3HE MET 1 -9.911 24.721 -4.601 11 HE3 MET 1 1HE MET 1 -8.917 24.041 -5.892 12 H LEU 2 H LEU 2 -4.931 21.328 -3.845 13 HA LEU 2 HA LEU 2 -6.356 18.934 -4.683 14 HB2 LEU 2 2HB LEU 2 -7.223 20.993 -5.862 15 HB3 LEU 2 1HB LEU 2 -5.642 21.191 -6.565 16 HG LEU 2 HG LEU 2 -7.338 20.231 -8.124 17 HD11 LEU 2 1HD1 LEU 2 -5.013 19.791 -8.594 18 HD12 LEU 2 2HD1 LEU 2 -6.023 18.415 -9.048 19 HD13 LEU 2 3HD1 LEU 2 -5.059 18.355 -7.573 20 HD21 LEU 2 3HD2 LEU 2 -8.637 18.947 -6.567 21 HD22 LEU 2 1HD2 LEU 2 -7.272 17.875 -6.263 22 HD23 LEU 2 2HD2 LEU 2 -8.033 17.896 -7.851 23 H LYS 3 H LYS 3 -4.791 17.503 -4.345 24 HA LYS 3 HA LYS 3 -2.391 17.872 -5.937 25 HB2 LYS 3 2HB LYS 3 -2.603 16.470 -3.260 26 HB3 LYS 3 1HB LYS 3 -1.216 16.292 -4.335 27 HG2 LYS 3 2HG LYS 3 -0.906 18.749 -4.245 28 HG3 LYS 3 1HG LYS 3 -2.192 18.833 -3.049 29 HD2 LYS 3 2HD LYS 3 -0.873 17.427 -1.539 30 HD3 LYS 3 1HD LYS 3 0.400 17.305 -2.756 31 HE2 LYS 3 2HE LYS 3 0.666 19.759 -2.689 32 HE3 LYS 3 1HE LYS 3 -0.549 19.838 -1.413 33 HZ1 LYS 3 3HZ LYS 3 1.651 19.893 -0.458 34 HZ2 LYS 3 1HZ LYS 3 2.072 18.451 -1.241 35 HZ3 LYS 3 2HZ LYS 3 0.897 18.452 -0.050 36 H HIS 4 H HIS 4 -2.177 16.576 -7.492 37 HA HIS 4 HA HIS 4 -4.235 14.753 -8.154 38 HB2 HIS 4 2HB HIS 4 -2.652 16.200 -9.643 39 HB3 HIS 4 1HB HIS 4 -1.581 14.810 -9.537 40 HD1 HIS 4 1HD HIS 4 -1.939 13.106 -11.362 41 HD2 HIS 4 2HD HIS 4 -5.297 15.453 -10.681 42 HE1 HIS 4 1HE HIS 4 -3.581 12.485 -13.152 43 HE2 HIS 4 2HE HIS 4 -5.596 13.982 -12.736 44 H GLY 5 H GLY 5 -1.138 14.411 -6.637 45 HA2 GLY 5 2HA GLY 5 -1.691 11.563 -6.286 46 HA3 GLY 5 1HA GLY 5 -0.089 12.087 -6.810 47 H LYS 6 H LYS 6 -2.153 11.599 -4.180 48 HA LYS 6 HA LYS 6 -0.471 13.210 -2.385 49 HB2 LYS 6 2HB LYS 6 -2.133 12.808 -0.649 50 HB3 LYS 6 1HB LYS 6 -2.911 13.448 -2.087 51 HG2 LYS 6 2HG LYS 6 -3.846 11.318 -2.626 52 HG3 LYS 6 1HG LYS 6 -2.855 10.508 -1.409 53 HD2 LYS 6 2HD LYS 6 -4.012 11.816 0.344 54 HD3 LYS 6 1HD LYS 6 -5.045 12.517 -0.897 55 HE2 LYS 6 2HE LYS 6 -4.831 9.561 -0.333 56 HE3 LYS 6 1HE LYS 6 -6.053 10.594 0.387 57 HZ1 LYS 6 3HZ LYS 6 -6.931 11.043 -1.792 58 HZ2 LYS 6 1HZ LYS 6 -6.889 9.398 -1.511 59 HZ3 LYS 6 2HZ LYS 6 -5.754 10.079 -2.547 60 H TYR 7 H TYR 7 0.573 12.281 -0.580 61 HA TYR 7 HA TYR 7 1.055 9.423 -0.900 62 HB2 TYR 7 2HB TYR 7 2.759 11.604 0.286 63 HB3 TYR 7 1HB TYR 7 3.087 9.901 0.583 64 HD1 TYR 7 1HD TYR 7 3.893 8.468 -1.195 65 HD2 TYR 7 2HD TYR 7 3.147 12.593 -1.901 66 HE1 TYR 7 1HE TYR 7 5.145 8.322 -3.298 67 HE2 TYR 7 2HE TYR 7 4.400 12.459 -4.008 68 HH TYR 7 HH TYR 7 6.098 11.072 -5.026 69 H VAL 8 H VAL 8 0.242 8.116 0.478 70 HA VAL 8 HA VAL 8 -0.265 9.055 3.194 71 HB VAL 8 HB VAL 8 -2.285 7.665 3.342 72 HG11 VAL 8 1HG1 VAL 8 -3.806 8.940 1.923 73 HG12 VAL 8 2HG1 VAL 8 -2.438 9.510 0.972 74 HG13 VAL 8 3HG1 VAL 8 -2.588 9.982 2.662 75 HG21 VAL 8 3HG2 VAL 8 -1.853 7.070 0.416 76 HG22 VAL 8 1HG2 VAL 8 -3.282 6.623 1.348 77 HG23 VAL 8 2HG2 VAL 8 -1.711 5.927 1.751 78 H TYR 9 H TYR 9 -0.705 6.884 4.533 79 HA TYR 9 HA TYR 9 1.452 5.067 3.734 80 HB2 TYR 9 2HB TYR 9 0.796 6.090 6.495 81 HB3 TYR 9 1HB TYR 9 1.888 4.747 6.181 82 HD1 TYR 9 1HD TYR 9 1.401 8.384 5.780 83 HD2 TYR 9 2HD TYR 9 4.113 5.121 5.424 84 HE1 TYR 9 1HE TYR 9 3.253 9.964 5.506 85 HE2 TYR 9 2HE TYR 9 5.975 6.687 5.156 86 HH TYR 9 HH TYR 9 5.561 10.089 5.713 87 H ILE 10 H ILE 10 1.009 2.991 3.793 88 HA ILE 10 HA ILE 10 -1.692 2.244 4.523 89 HB ILE 10 HB ILE 10 0.537 0.506 3.421 90 HG12 ILE 10 2HG1 ILE 10 -0.115 2.151 1.772 91 HG13 ILE 10 1HG1 ILE 10 -0.734 0.577 1.294 92 HG21 ILE 10 1HG2 ILE 10 -1.058 -0.832 4.673 93 HG22 ILE 10 2HG2 ILE 10 -1.185 -1.166 2.946 94 HG23 ILE 10 3HG2 ILE 10 -2.385 -0.145 3.736 95 HD11 ILE 10 3HD1 ILE 10 -2.924 1.223 2.227 96 HD12 ILE 10 1HD1 ILE 10 -2.411 2.241 0.876 97 HD13 ILE 10 2HD1 ILE 10 -2.284 2.838 2.528 98 H ASP 11 H ASP 11 -2.232 1.407 6.334 99 HA ASP 11 HA ASP 11 -0.299 1.282 8.430 100 HB2 ASP 11 2HB ASP 11 -2.521 2.167 8.939 101 HB3 ASP 11 1HB ASP 11 -3.259 0.632 8.505 102 H LEU 12 H LEU 12 1.047 -0.248 7.820 103 HA LEU 12 HA LEU 12 0.287 -3.019 7.595 104 HB2 LEU 12 2HB LEU 12 3.011 -1.936 8.289 105 HB3 LEU 12 1HB LEU 12 2.631 -3.478 7.560 106 HG LEU 12 HG LEU 12 2.476 -0.768 6.266 107 HD11 LEU 12 1HD1 LEU 12 4.712 -1.584 6.482 108 HD12 LEU 12 2HD1 LEU 12 4.212 -1.718 4.792 109 HD13 LEU 12 3HD1 LEU 12 4.242 -3.148 5.826 110 HD21 LEU 12 3HD2 LEU 12 0.633 -2.168 5.481 111 HD22 LEU 12 1HD2 LEU 12 1.773 -3.464 5.123 112 HD23 LEU 12 2HD2 LEU 12 1.842 -1.955 4.215 113 H ASN 13 H ASN 13 1.622 -0.823 9.905 114 HA ASN 13 HA ASN 13 1.545 -0.631 12.169 115 HB2 ASN 13 2HB ASN 13 -0.871 -1.421 11.561 116 HB3 ASN 13 1HB ASN 13 -0.376 -2.932 12.305 117 HD21 ASN 13 1HD2 ASN 13 -1.221 0.326 12.760 118 HD22 ASN 13 2HD2 ASN 13 -1.292 0.338 14.481 119 H ASN 14 H ASN 14 3.135 -2.911 10.729 120 HA ASN 14 HA ASN 14 3.602 -4.585 13.079 121 HB2 ASN 14 2HB ASN 14 4.740 -6.165 11.487 122 HB3 ASN 14 1HB ASN 14 3.024 -5.925 11.185 123 HD21 ASN 14 1HD2 ASN 14 3.235 -6.617 9.056 124 HD22 ASN 14 2HD2 ASN 14 4.001 -5.663 7.843 125 H GLY 15 H GLY 15 4.695 -1.875 12.522 126 HA2 GLY 15 2HA GLY 15 6.675 -1.075 13.588 127 HA3 GLY 15 1HA GLY 15 7.478 -2.572 13.140 128 H LYS 16 H LYS 16 5.758 -1.598 10.516 129 HA LYS 16 HA LYS 16 7.506 0.442 9.580 130 HB2 LYS 16 2HB LYS 16 8.154 -0.804 7.512 131 HB3 LYS 16 1HB LYS 16 8.865 -1.481 8.963 132 HG2 LYS 16 2HG LYS 16 7.129 -3.231 8.959 133 HG3 LYS 16 1HG LYS 16 6.506 -2.572 7.449 134 HD2 LYS 16 2HD LYS 16 8.631 -3.030 6.345 135 HD3 LYS 16 1HD LYS 16 9.306 -3.629 7.860 136 HE2 LYS 16 2HE LYS 16 7.591 -5.397 7.899 137 HE3 LYS 16 1HE LYS 16 6.972 -4.813 6.355 138 HZ1 LYS 16 3HZ LYS 16 9.137 -5.377 5.348 139 HZ2 LYS 16 1HZ LYS 16 8.447 -6.723 6.083 140 HZ3 LYS 16 2HZ LYS 16 9.695 -5.913 6.826 141 H TYR 17 H TYR 17 6.721 1.326 7.576 142 HA TYR 17 HA TYR 17 3.921 0.705 7.004 143 HB2 TYR 17 2HB TYR 17 5.067 3.360 7.852 144 HB3 TYR 17 1HB TYR 17 3.670 3.300 6.787 145 HD1 TYR 17 2HD TYR 17 4.842 1.926 10.082 146 HD2 TYR 17 1HD TYR 17 1.573 3.279 7.724 147 HE1 TYR 17 2HE TYR 17 3.340 1.632 11.988 148 HE2 TYR 17 1HE TYR 17 0.078 3.009 9.647 149 HH TYR 17 HH TYR 17 -0.035 1.749 11.659 150 H VAL 18 H VAL 18 3.357 1.078 4.875 151 HA VAL 18 HA VAL 18 5.621 1.720 3.163 152 HB VAL 18 HB VAL 18 4.598 -0.489 2.666 153 HG11 VAL 18 1HG1 VAL 18 2.356 -0.690 1.805 154 HG12 VAL 18 2HG1 VAL 18 2.089 1.024 2.133 155 HG13 VAL 18 3HG1 VAL 18 2.408 -0.098 3.467 156 HG21 VAL 18 3HG2 VAL 18 4.026 1.536 0.507 157 HG22 VAL 18 1HG2 VAL 18 4.163 -0.208 0.273 158 HG23 VAL 18 2HG2 VAL 18 5.563 0.726 0.793 159 H LYS 19 H LYS 19 5.546 3.361 1.761 160 HA LYS 19 HA LYS 19 3.419 5.297 2.267 161 HB2 LYS 19 2HB LYS 19 5.846 5.817 2.711 162 HB3 LYS 19 1HB LYS 19 6.121 5.672 0.990 163 HG2 LYS 19 2HG LYS 19 4.718 7.575 0.554 164 HG3 LYS 19 1HG LYS 19 4.273 7.679 2.267 165 HD2 LYS 19 2HD LYS 19 6.674 7.962 2.819 166 HD3 LYS 19 1HD LYS 19 7.017 7.989 1.091 167 HE2 LYS 19 2HE LYS 19 5.700 10.007 0.845 168 HE3 LYS 19 1HE LYS 19 5.249 9.942 2.547 169 HZ1 LYS 19 3HZ LYS 19 7.096 11.491 2.162 170 HZ2 LYS 19 1HZ LYS 19 8.025 10.230 1.541 171 HZ3 LYS 19 2HZ LYS 19 7.562 10.222 3.155 172 H VAL 20 H VAL 20 1.936 5.462 0.752 173 HA VAL 20 HA VAL 20 2.622 4.577 -1.950 174 HB VAL 20 HB VAL 20 1.194 2.941 -0.778 175 HG11 VAL 20 1HG1 VAL 20 -0.798 5.163 -0.562 176 HG12 VAL 20 2HG1 VAL 20 0.030 4.337 0.759 177 HG13 VAL 20 3HG1 VAL 20 -1.132 3.463 -0.240 178 HG21 VAL 20 3HG2 VAL 20 -0.626 2.756 -2.454 179 HG22 VAL 20 1HG2 VAL 20 0.951 3.066 -3.179 180 HG23 VAL 20 2HG2 VAL 20 -0.221 4.374 -3.026 181 H ARG 21 H ARG 21 1.939 5.798 -3.592 182 HA ARG 21 HA ARG 21 0.789 8.387 -2.943 183 HB2 ARG 21 2HB ARG 21 2.856 8.349 -4.296 184 HB3 ARG 21 1HB ARG 21 2.024 7.411 -5.529 185 HG2 ARG 21 2HG ARG 21 0.505 9.263 -5.945 186 HG3 ARG 21 1HG ARG 21 1.281 10.201 -4.669 187 HD2 ARG 21 2HD ARG 21 2.121 10.899 -6.835 188 HD3 ARG 21 1HD ARG 21 3.399 10.113 -5.914 189 HE ARG 21 HE ARG 21 1.856 8.655 -7.938 190 HH11 ARG 21 1HH1 ARG 21 5.018 9.659 -6.614 191 HH12 ARG 21 2HH1 ARG 21 5.909 8.894 -7.839 192 HH21 ARG 21 1HH2 ARG 21 3.148 7.541 -9.605 193 HH22 ARG 21 2HH2 ARG 21 4.836 7.650 -9.534 194 H ILE 22 H ILE 22 -1.239 8.663 -3.225 195 HA ILE 22 HA ILE 22 -2.810 6.745 -4.766 196 HB ILE 22 HB ILE 22 -3.826 9.069 -3.116 197 HG12 ILE 22 2HG1 ILE 22 -2.496 7.644 -1.637 198 HG13 ILE 22 1HG1 ILE 22 -4.207 7.486 -1.259 199 HG21 ILE 22 1HG2 ILE 22 -5.421 8.167 -4.690 200 HG22 ILE 22 2HG2 ILE 22 -5.902 7.777 -3.040 201 HG23 ILE 22 3HG2 ILE 22 -5.166 6.537 -4.056 202 HD11 ILE 22 3HD1 ILE 22 -3.108 5.343 -1.152 203 HD12 ILE 22 1HD1 ILE 22 -2.515 5.536 -2.803 204 HD13 ILE 22 2HD1 ILE 22 -4.243 5.373 -2.502 205 H LEU 23 H LEU 23 -3.200 7.256 -6.776 206 HA LEU 23 HA LEU 23 -2.829 9.978 -7.733 207 HB2 LEU 23 2HB LEU 23 -3.584 7.464 -9.204 208 HB3 LEU 23 1HB LEU 23 -3.118 8.976 -9.938 209 HG LEU 23 HG LEU 23 -1.302 7.218 -8.289 210 HD11 LEU 23 1HD1 LEU 23 -1.905 6.180 -10.400 211 HD12 LEU 23 2HD1 LEU 23 -0.227 6.703 -10.408 212 HD13 LEU 23 3HD1 LEU 23 -1.451 7.646 -11.261 213 HD21 LEU 23 3HD2 LEU 23 -0.662 9.555 -8.144 214 HD22 LEU 23 1HD2 LEU 23 -0.755 9.706 -9.904 215 HD23 LEU 23 2HD2 LEU 23 0.472 8.677 -9.173 216 H LYS 24 H LYS 24 -4.533 11.242 -7.515 217 HA LYS 24 HA LYS 24 -7.182 10.043 -7.852 218 HB2 LYS 24 2HB LYS 24 -6.742 10.801 -5.535 219 HB3 LYS 24 1HB LYS 24 -6.424 12.420 -6.142 220 HG2 LYS 24 2HG LYS 24 -8.734 12.530 -6.982 221 HG3 LYS 24 1HG LYS 24 -9.029 10.933 -6.311 222 HD2 LYS 24 2HD LYS 24 -8.579 11.740 -4.074 223 HD3 LYS 24 1HD LYS 24 -8.171 13.336 -4.709 224 HE2 LYS 24 2HE LYS 24 -10.853 11.981 -4.900 225 HE3 LYS 24 1HE LYS 24 -10.436 13.288 -3.799 226 HZ1 LYS 24 3HZ LYS 24 -11.582 14.193 -5.701 227 HZ2 LYS 24 1HZ LYS 24 -10.508 13.463 -6.768 228 HZ3 LYS 24 2HZ LYS 24 -9.992 14.697 -5.760 229 H SER 25 H SER 25 -8.086 10.661 -9.614 230 HA SER 25 HA SER 25 -7.422 13.314 -10.702 231 HB2 SER 25 2HB SER 25 -8.014 10.923 -12.423 232 HB3 SER 25 1HB SER 25 -7.250 12.442 -12.852 233 HG SER 25 HG SER 25 -5.963 11.239 -10.834 234 H ARG 26 H ARG 26 -9.357 14.257 -9.903 235 HA ARG 26 HA ARG 26 -11.908 13.142 -10.753 236 HB2 ARG 26 2HB ARG 26 -11.654 14.445 -8.581 237 HB3 ARG 26 1HB ARG 26 -11.388 15.885 -9.556 238 HG2 ARG 26 2HG ARG 26 -13.631 15.433 -10.633 239 HG3 ARG 26 1HG ARG 26 -13.895 14.220 -9.384 240 HD2 ARG 26 2HD ARG 26 -14.951 16.325 -8.797 241 HD3 ARG 26 1HD ARG 26 -13.656 15.952 -7.669 242 HE ARG 26 HE ARG 26 -12.343 17.633 -8.617 243 HH11 ARG 26 1HH1 ARG 26 -15.581 17.550 -10.053 244 HH12 ARG 26 2HH1 ARG 26 -15.477 19.086 -10.760 245 HH21 ARG 26 1HH2 ARG 26 -12.195 19.736 -9.571 246 HH22 ARG 26 2HH2 ARG 26 -13.510 20.388 -10.443 247 H ASP 27 H ASP 27 -9.450 15.057 -11.960 248 HA ASP 27 HA ASP 27 -10.806 16.808 -13.703 249 HB2 ASP 27 2HB ASP 27 -8.599 16.980 -14.872 250 HB3 ASP 27 1HB ASP 27 -8.488 17.236 -13.140 251 H ASP 28 H ASP 28 -10.070 13.499 -13.854 252 HA ASP 28 HA ASP 28 -10.830 13.261 -16.666 253 HB2 ASP 28 2HB ASP 28 -9.089 11.747 -15.806 254 HB3 ASP 28 1HB ASP 28 -10.194 11.156 -14.572 255 H ASN 29 H ASN 29 -11.855 11.902 -13.607 256 HA ASN 29 HA ASN 29 -14.601 12.597 -13.871 257 HB2 ASN 29 2HB ASN 29 -14.751 10.663 -15.328 258 HB3 ASN 29 1HB ASN 29 -13.759 9.698 -14.245 259 HD21 ASN 29 1HD2 ASN 29 -15.243 8.095 -13.972 260 HD22 ASN 29 2HD2 ASN 29 -16.741 8.292 -13.151 261 H SER 30 H SER 30 -12.972 9.836 -12.484 262 HA SER 30 HA SER 30 -12.208 10.994 -10.089 263 HB2 SER 30 2HB SER 30 -14.717 10.898 -9.663 264 HB3 SER 30 1HB SER 30 -14.609 9.141 -9.809 265 HG SER 30 HG SER 30 -14.381 9.475 -7.695 266 H VAL 31 H VAL 31 -10.463 10.024 -11.005 267 HA VAL 31 HA VAL 31 -10.385 7.100 -11.069 268 HB VAL 31 HB VAL 31 -8.299 9.113 -11.944 269 HG11 VAL 31 1HG1 VAL 31 -8.497 6.158 -12.438 270 HG12 VAL 31 2HG1 VAL 31 -7.353 6.990 -11.381 271 HG13 VAL 31 3HG1 VAL 31 -7.284 7.243 -13.127 272 HG21 VAL 31 3HG2 VAL 31 -8.977 8.619 -14.235 273 HG22 VAL 31 1HG2 VAL 31 -10.310 9.308 -13.308 274 HG23 VAL 31 2HG2 VAL 31 -10.261 7.573 -13.624 275 H GLU 32 H GLU 32 -9.554 6.089 -9.351 276 HA GLU 32 HA GLU 32 -7.609 7.529 -7.736 277 HB2 GLU 32 2HB GLU 32 -9.811 5.707 -6.709 278 HB3 GLU 32 1HB GLU 32 -8.551 6.437 -5.718 279 HG2 GLU 32 2HG GLU 32 -9.394 8.662 -6.248 280 HG3 GLU 32 1HG GLU 32 -10.596 7.940 -7.311 281 H LYS 33 H LYS 33 -5.936 6.650 -8.608 282 HA LYS 33 HA LYS 33 -5.782 3.731 -8.780 283 HB2 LYS 33 2HB LYS 33 -4.134 5.846 -10.156 284 HB3 LYS 33 1HB LYS 33 -3.749 4.133 -10.164 285 HG2 LYS 33 2HG LYS 33 -5.852 3.661 -11.275 286 HG3 LYS 33 1HG LYS 33 -6.267 5.364 -11.234 287 HD2 LYS 33 2HD LYS 33 -5.376 4.730 -13.433 288 HD3 LYS 33 1HD LYS 33 -4.336 5.906 -12.636 289 HE2 LYS 33 2HE LYS 33 -3.027 4.164 -13.711 290 HE3 LYS 33 1HE LYS 33 -2.812 4.099 -11.973 291 HZ1 LYS 33 3HZ LYS 33 -3.102 1.907 -12.915 292 HZ2 LYS 33 1HZ LYS 33 -4.586 2.323 -13.570 293 HZ3 LYS 33 2HZ LYS 33 -4.389 2.240 -11.896 294 H TYR 34 H TYR 34 -3.817 2.735 -8.193 295 HA TYR 34 HA TYR 34 -2.567 4.108 -5.956 296 HB2 TYR 34 2HB TYR 34 -3.173 1.145 -6.288 297 HB3 TYR 34 1HB TYR 34 -2.367 1.880 -4.898 298 HD1 TYR 34 1HD TYR 34 -3.604 3.348 -3.383 299 HD2 TYR 34 2HD TYR 34 -5.595 1.322 -6.543 300 HE1 TYR 34 1HE TYR 34 -5.775 3.892 -2.359 301 HE2 TYR 34 2HE TYR 34 -7.776 1.867 -5.520 302 HH TYR 34 HH TYR 34 -8.703 2.475 -3.399 303 H VAL 35 H VAL 35 -0.433 4.187 -5.977 304 HA VAL 35 HA VAL 35 0.879 3.746 -8.424 305 HB VAL 35 HB VAL 35 1.414 5.537 -6.763 306 HG11 VAL 35 1HG1 VAL 35 2.997 5.044 -4.956 307 HG12 VAL 35 2HG1 VAL 35 2.722 3.319 -5.255 308 HG13 VAL 35 3HG1 VAL 35 1.388 4.357 -4.749 309 HG21 VAL 35 3HG2 VAL 35 2.955 5.191 -8.573 310 HG22 VAL 35 1HG2 VAL 35 3.746 3.870 -7.707 311 HG23 VAL 35 2HG2 VAL 35 3.868 5.525 -7.109 312 H LEU 36 H LEU 36 2.623 2.406 -8.886 313 HA LEU 36 HA LEU 36 2.303 -0.280 -7.953 314 HB2 LEU 36 2HB LEU 36 2.580 0.316 -10.335 315 HB3 LEU 36 1HB LEU 36 4.210 0.852 -9.990 316 HG LEU 36 HG LEU 36 4.777 -1.486 -9.332 317 HD11 LEU 36 1HD1 LEU 36 2.568 -2.290 -8.754 318 HD12 LEU 36 2HD1 LEU 36 3.268 -3.289 -10.027 319 HD13 LEU 36 3HD1 LEU 36 2.036 -2.091 -10.423 320 HD21 LEU 36 3HD2 LEU 36 3.702 -1.093 -12.108 321 HD22 LEU 36 1HD2 LEU 36 4.851 -2.341 -11.625 322 HD23 LEU 36 2HD2 LEU 36 5.310 -0.637 -11.537 323 H THR 37 H THR 37 4.085 2.201 -6.694 324 HA THR 37 HA THR 37 6.474 0.607 -6.276 325 HB THR 37 HB THR 37 6.725 3.052 -6.835 326 HG1 THR 37 1HG THR 37 8.327 3.405 -5.479 327 HG21 THR 37 3HG2 THR 37 4.811 3.936 -5.622 328 HG22 THR 37 1HG2 THR 37 6.288 4.736 -5.088 329 HG23 THR 37 2HG2 THR 37 5.549 3.485 -4.087 330 H SER 38 H SER 38 7.218 0.079 -4.199 331 HA SER 38 HA SER 38 5.134 0.074 -2.136 332 HB2 SER 38 2HB SER 38 6.869 -2.268 -2.922 333 HB3 SER 38 1HB SER 38 5.623 -2.265 -1.674 334 HG SER 38 HG SER 38 4.487 -1.325 -3.805 335 H HIS 39 H HIS 39 7.589 1.684 -2.479 336 HA HIS 39 HA HIS 39 9.600 0.743 -0.730 337 HB2 HIS 39 2HB HIS 39 9.040 3.517 -1.762 338 HB3 HIS 39 1HB HIS 39 10.313 3.227 -0.587 339 HD1 HIS 39 1HD HIS 39 12.532 2.684 -1.552 340 HD2 HIS 39 2HD HIS 39 9.465 1.837 -4.211 341 HE1 HIS 39 1HE HIS 39 13.658 1.984 -3.674 342 HE2 HIS 39 2HE HIS 39 11.766 1.095 -5.059 343 H VAL 40 H VAL 40 9.682 0.468 1.292 344 HA VAL 40 HA VAL 40 7.570 1.515 2.985 345 HB VAL 40 HB VAL 40 8.305 -0.213 4.637 346 HG11 VAL 40 1HG1 VAL 40 7.619 -1.229 1.886 347 HG12 VAL 40 2HG1 VAL 40 6.494 -0.680 3.131 348 HG13 VAL 40 3HG1 VAL 40 7.442 -2.141 3.386 349 HG21 VAL 40 3HG2 VAL 40 10.643 -0.466 3.974 350 HG22 VAL 40 1HG2 VAL 40 10.138 -1.096 2.404 351 HG23 VAL 40 2HG2 VAL 40 9.800 -2.017 3.860 352 H SER 41 H SER 41 7.936 2.304 5.054 353 HA SER 41 HA SER 41 10.618 3.304 5.619 354 HB2 SER 41 2HB SER 41 7.938 4.616 6.192 355 HB3 SER 41 1HB SER 41 9.536 5.265 6.596 356 HG SER 41 HG SER 41 9.956 4.982 4.290 357 H LYS 42 H LYS 42 11.082 3.355 7.942 358 HA LYS 42 HA LYS 42 9.814 1.050 9.214 359 HB2 LYS 42 2HB LYS 42 12.378 2.471 9.896 360 HB3 LYS 42 1HB LYS 42 11.795 0.993 10.637 361 HG2 LYS 42 2HG LYS 42 12.543 1.326 7.735 362 HG3 LYS 42 1HG LYS 42 13.548 0.578 8.969 363 HD2 LYS 42 2HD LYS 42 10.823 -0.408 8.118 364 HD3 LYS 42 1HD LYS 42 12.351 -1.064 7.544 365 HE2 LYS 42 2HE LYS 42 11.368 -1.065 10.404 366 HE3 LYS 42 1HE LYS 42 11.411 -2.450 9.325 367 HZ1 LYS 42 3HZ LYS 42 13.837 -2.227 9.235 368 HZ2 LYS 42 1HZ LYS 42 13.291 -2.498 10.802 369 HZ3 LYS 42 2HZ LYS 42 13.768 -0.967 10.361 370 H ASN 43 H ASN 43 9.427 4.359 9.455 371 HA ASN 43 HA ASN 43 9.054 4.134 12.350 372 HB2 ASN 43 2HB ASN 43 9.604 6.630 10.719 373 HB3 ASN 43 1HB ASN 43 9.199 6.637 12.427 374 HD21 ASN 43 1HD2 ASN 43 11.612 5.851 10.069 375 HD22 ASN 43 2HD2 ASN 43 12.925 5.643 11.156 376 H ARG 44 H ARG 44 7.183 4.824 13.296 377 HA ARG 44 HA ARG 44 4.848 4.754 11.657 378 HB2 ARG 44 2HB ARG 44 5.224 5.277 14.599 379 HB3 ARG 44 1HB ARG 44 3.645 5.293 13.833 380 HG2 ARG 44 2HG ARG 44 4.066 2.930 13.151 381 HG3 ARG 44 1HG ARG 44 5.538 2.973 14.123 382 HD2 ARG 44 2HD ARG 44 4.287 3.410 16.119 383 HD3 ARG 44 1HD ARG 44 2.794 3.596 15.219 384 HE ARG 44 HE ARG 44 4.271 1.059 15.405 385 HH11 ARG 44 1HH1 ARG 44 1.180 2.828 15.370 386 HH12 ARG 44 2HH1 ARG 44 0.235 1.488 15.817 387 HH21 ARG 44 1HH2 ARG 44 2.877 -0.854 16.005 388 HH22 ARG 44 2HH2 ARG 44 1.210 -0.603 16.165 389 HA PRO 45 HA PRO 45 4.947 9.193 10.789 390 HB2 PRO 45 2HB PRO 45 2.272 8.562 9.685 391 HB3 PRO 45 1HB PRO 45 3.650 9.332 8.889 392 HG2 PRO 45 2HG PRO 45 2.971 6.843 8.275 393 HG3 PRO 45 1HG PRO 45 4.673 7.302 8.418 394 HD2 PRO 45 2HD PRO 45 2.950 5.825 10.370 395 HD3 PRO 45 1HD PRO 45 4.625 5.526 9.864 396 H LYS 46 H LYS 46 4.262 10.772 12.105 397 HA LYS 46 HA LYS 46 2.397 10.218 14.211 398 HB2 LYS 46 2HB LYS 46 3.756 12.785 13.390 399 HB3 LYS 46 1HB LYS 46 2.772 12.579 14.833 400 HG2 LYS 46 2HG LYS 46 4.360 11.001 15.735 401 HG3 LYS 46 1HG LYS 46 5.313 11.071 14.253 402 HD2 LYS 46 2HD LYS 46 6.304 12.463 16.020 403 HD3 LYS 46 1HD LYS 46 5.780 13.433 14.648 404 HE2 LYS 46 2HE LYS 46 3.727 14.030 15.865 405 HE3 LYS 46 1HE LYS 46 4.266 13.071 17.239 406 HZ1 LYS 46 3HZ LYS 46 4.689 15.436 17.500 407 HZ2 LYS 46 1HZ LYS 46 5.670 15.448 16.141 408 HZ3 LYS 46 2HZ LYS 46 6.130 14.569 17.510 409 H ASN 47 H ASN 47 2.458 12.468 11.493 410 HA ASN 47 HA ASN 47 -0.458 12.557 11.630 411 HB2 ASN 47 2HB ASN 47 0.548 14.661 12.516 412 HB3 ASN 47 1HB ASN 47 1.345 14.894 10.967 413 HD21 ASN 47 1HD2 ASN 47 0.093 15.437 9.175 414 HD22 ASN 47 2HD2 ASN 47 -1.520 16.026 9.307 415 H ALA 48 H ALA 48 -0.914 11.257 9.974 416 HA ALA 48 HA ALA 48 -0.643 12.246 7.358 417 HB1 ALA 48 1HB ALA 48 1.558 11.151 7.534 418 HB2 ALA 48 2HB ALA 48 0.499 10.274 6.433 419 HB3 ALA 48 3HB ALA 48 0.777 9.659 8.063 420 H ILE 49 H ILE 49 -1.946 10.832 5.949 421 HA ILE 49 HA ILE 49 -4.063 9.605 7.476 422 HB ILE 49 HB ILE 49 -3.724 9.861 4.469 423 HG12 ILE 49 2HG1 ILE 49 -3.921 12.062 5.522 424 HG13 ILE 49 1HG1 ILE 49 -5.375 11.695 4.609 425 HG21 ILE 49 1HG2 ILE 49 -5.197 8.018 5.030 426 HG22 ILE 49 2HG2 ILE 49 -6.133 9.342 4.331 427 HG23 ILE 49 3HG2 ILE 49 -6.155 9.066 6.074 428 HD11 ILE 49 3HD1 ILE 49 -5.911 12.780 6.710 429 HD12 ILE 49 1HD1 ILE 49 -5.056 11.523 7.606 430 HD13 ILE 49 2HD1 ILE 49 -6.520 11.123 6.710 431 H VAL 50 H VAL 50 -4.082 7.523 7.967 432 HA VAL 50 HA VAL 50 -2.356 5.776 6.395 433 HB VAL 50 HB VAL 50 -2.226 4.232 8.273 434 HG11 VAL 50 1HG1 VAL 50 -0.532 5.927 8.174 435 HG12 VAL 50 2HG1 VAL 50 -0.915 5.565 9.855 436 HG13 VAL 50 3HG1 VAL 50 -1.542 7.036 9.102 437 HG21 VAL 50 3HG2 VAL 50 -3.919 6.202 9.821 438 HG22 VAL 50 1HG2 VAL 50 -3.124 4.785 10.505 439 HG23 VAL 50 2HG2 VAL 50 -4.408 4.592 9.310 440 H ILE 51 H ILE 51 -3.147 3.987 5.514 441 HA ILE 51 HA ILE 51 -6.014 3.439 5.901 442 HB ILE 51 HB ILE 51 -4.542 3.152 3.251 443 HG12 ILE 51 2HG1 ILE 51 -6.490 5.329 4.082 444 HG13 ILE 51 1HG1 ILE 51 -4.760 5.555 3.880 445 HG21 ILE 51 1HG2 ILE 51 -7.477 3.034 3.956 446 HG22 ILE 51 2HG2 ILE 51 -6.443 1.657 3.574 447 HG23 ILE 51 3HG2 ILE 51 -6.801 2.856 2.333 448 HD11 ILE 51 3HD1 ILE 51 -6.740 4.835 1.725 449 HD12 ILE 51 1HD1 ILE 51 -4.998 5.009 1.491 450 HD13 ILE 51 2HD1 ILE 51 -5.967 6.402 1.969 451 H LYS 52 H LYS 52 -6.362 1.362 6.453 452 HA LYS 52 HA LYS 52 -4.083 -0.376 6.791 453 HB2 LYS 52 2HB LYS 52 -5.907 -0.098 8.466 454 HB3 LYS 52 1HB LYS 52 -7.010 -0.893 7.354 455 HG2 LYS 52 2HG LYS 52 -5.633 -2.921 7.474 456 HG3 LYS 52 1HG LYS 52 -4.571 -2.118 8.629 457 HD2 LYS 52 2HD LYS 52 -7.518 -2.653 9.013 458 HD3 LYS 52 1HD LYS 52 -6.213 -3.580 9.742 459 HE2 LYS 52 2HE LYS 52 -5.478 -1.587 10.973 460 HE3 LYS 52 1HE LYS 52 -6.747 -0.641 10.208 461 HZ1 LYS 52 3HZ LYS 52 -7.211 -2.972 11.978 462 HZ2 LYS 52 1HZ LYS 52 -8.387 -2.008 11.264 463 HZ3 LYS 52 2HZ LYS 52 -7.374 -1.355 12.434 464 H MET 53 H MET 53 -3.941 -2.528 5.944 465 HA MET 53 HA MET 53 -3.912 -2.771 3.203 466 HB2 MET 53 2HB MET 53 -4.237 -5.066 5.134 467 HB3 MET 53 1HB MET 53 -3.719 -5.204 3.474 468 HG2 MET 53 2HG MET 53 -1.693 -3.924 4.019 469 HG3 MET 53 1HG MET 53 -2.225 -3.852 5.706 470 HE1 MET 53 3HE MET 53 0.660 -6.510 5.914 471 HE2 MET 53 1HE MET 53 0.054 -4.963 6.500 472 HE3 MET 53 2HE MET 53 0.635 -5.116 4.837 473 H ASP 54 H ASP 54 -6.456 -3.676 5.351 474 HA ASP 54 HA ASP 54 -8.004 -5.327 3.726 475 HB2 ASP 54 2HB ASP 54 -8.364 -5.161 6.118 476 HB3 ASP 54 1HB ASP 54 -8.904 -3.496 5.939 477 H ASN 55 H ASN 55 -7.953 -1.827 3.918 478 HA ASN 55 HA ASN 55 -10.431 -1.444 2.514 479 HB2 ASN 55 2HB ASN 55 -9.483 0.193 4.144 480 HB3 ASN 55 1HB ASN 55 -8.193 0.528 3.002 481 HD21 ASN 55 1HD2 ASN 55 -8.663 1.775 1.144 482 HD22 ASN 55 2HD2 ASN 55 -10.158 2.627 0.980 483 H LEU 56 H LEU 56 -7.187 -1.961 1.574 484 HA LEU 56 HA LEU 56 -7.510 -0.678 -0.986 485 HB2 LEU 56 2HB LEU 56 -5.172 -2.241 0.134 486 HB3 LEU 56 1HB LEU 56 -5.211 -1.488 -1.441 487 HG LEU 56 HG LEU 56 -3.928 -0.095 -0.048 488 HD11 LEU 56 1HD1 LEU 56 -6.636 1.158 -0.327 489 HD12 LEU 56 2HD1 LEU 56 -5.360 1.104 -1.543 490 HD13 LEU 56 3HD1 LEU 56 -5.117 2.009 -0.049 491 HD21 LEU 56 3HD2 LEU 56 -4.556 -0.840 2.138 492 HD22 LEU 56 1HD2 LEU 56 -6.189 -0.205 1.923 493 HD23 LEU 56 2HD2 LEU 56 -4.838 0.906 2.033 494 HA PRO 57 HA PRO 57 -8.981 -4.238 -3.198 495 HB2 PRO 57 2HB PRO 57 -7.238 -3.321 -5.414 496 HB3 PRO 57 1HB PRO 57 -8.986 -3.592 -5.402 497 HG2 PRO 57 2HG PRO 57 -7.997 -1.127 -5.437 498 HG3 PRO 57 1HG PRO 57 -9.428 -1.523 -4.470 499 HD2 PRO 57 2HD PRO 57 -6.597 -1.141 -3.594 500 HD3 PRO 57 1HD PRO 57 -8.103 -0.592 -2.834 501 H ILE 58 H ILE 58 -8.187 -6.149 -4.386 502 HA ILE 58 HA ILE 58 -6.082 -7.301 -2.994 503 HB ILE 58 HB ILE 58 -6.202 -9.256 -4.556 504 HG12 ILE 58 2HG1 ILE 58 -8.331 -9.335 -5.996 505 HG13 ILE 58 1HG1 ILE 58 -8.329 -7.581 -5.914 506 HG21 ILE 58 1HG2 ILE 58 -8.755 -8.350 -3.271 507 HG22 ILE 58 2HG2 ILE 58 -7.440 -9.267 -2.532 508 HG23 ILE 58 3HG2 ILE 58 -8.413 -9.997 -3.801 509 HD11 ILE 58 3HD1 ILE 58 -7.363 -8.379 -7.991 510 HD12 ILE 58 1HD1 ILE 58 -6.168 -9.319 -7.098 511 HD13 ILE 58 2HD1 ILE 58 -6.140 -7.558 -7.019 512 H GLU 59 H GLU 59 -5.967 -5.588 -5.955 513 HA GLU 59 HA GLU 59 -3.480 -6.404 -6.904 514 HB2 GLU 59 2HB GLU 59 -4.920 -3.778 -7.068 515 HB3 GLU 59 1HB GLU 59 -3.349 -4.020 -7.822 516 HG2 GLU 59 2HG GLU 59 -5.803 -5.654 -8.391 517 HG3 GLU 59 1HG GLU 59 -5.223 -4.313 -9.385 518 H VAL 60 H VAL 60 -4.288 -3.879 -4.579 519 HA VAL 60 HA VAL 60 -1.594 -3.050 -4.193 520 HB VAL 60 HB VAL 60 -3.915 -2.713 -2.297 521 HG11 VAL 60 1HG1 VAL 60 -1.804 -2.240 -1.244 522 HG12 VAL 60 2HG1 VAL 60 -2.663 -0.718 -1.515 523 HG13 VAL 60 3HG1 VAL 60 -1.329 -1.183 -2.571 524 HG21 VAL 60 3HG2 VAL 60 -3.022 -0.902 -4.543 525 HG22 VAL 60 1HG2 VAL 60 -4.265 -0.511 -3.353 526 HG23 VAL 60 2HG2 VAL 60 -4.513 -1.841 -4.486 527 H LYS 61 H LYS 61 -3.773 -5.216 -2.492 528 HA LYS 61 HA LYS 61 -2.160 -5.964 -0.300 529 HB2 LYS 61 2HB LYS 61 -3.984 -7.826 -1.836 530 HB3 LYS 61 1HB LYS 61 -3.470 -7.999 -0.172 531 HG2 LYS 61 2HG LYS 61 -4.759 -5.993 0.403 532 HG3 LYS 61 1HG LYS 61 -5.322 -5.893 -1.269 533 HD2 LYS 61 2HD LYS 61 -6.171 -8.268 -1.013 534 HD3 LYS 61 1HD LYS 61 -5.830 -8.119 0.704 535 HE2 LYS 61 2HE LYS 61 -7.717 -6.349 -0.853 536 HE3 LYS 61 1HE LYS 61 -8.200 -7.722 0.136 537 HZ1 LYS 61 3HZ LYS 61 -6.899 -5.222 1.122 538 HZ2 LYS 61 1HZ LYS 61 -7.324 -6.565 2.075 539 HZ3 LYS 61 2HZ LYS 61 -8.508 -5.675 1.285 540 H ASP 62 H ASP 62 -2.360 -7.134 -3.554 541 HA ASP 62 HA ASP 62 -0.593 -9.308 -3.456 542 HB2 ASP 62 2HB ASP 62 -2.174 -8.901 -5.318 543 HB3 ASP 62 1HB ASP 62 -1.247 -7.488 -5.783 544 H LYS 63 H LYS 63 -0.067 -5.871 -4.278 545 HA LYS 63 HA LYS 63 2.668 -6.070 -4.905 546 HB2 LYS 63 2HB LYS 63 1.268 -3.690 -3.682 547 HB3 LYS 63 1HB LYS 63 2.734 -3.663 -4.630 548 HG2 LYS 63 2HG LYS 63 -0.040 -4.292 -5.619 549 HG3 LYS 63 1HG LYS 63 0.803 -2.786 -5.865 550 HD2 LYS 63 2HD LYS 63 1.109 -3.855 -7.920 551 HD3 LYS 63 1HD LYS 63 2.568 -4.364 -7.074 552 HE2 LYS 63 2HE LYS 63 1.406 -6.456 -6.416 553 HE3 LYS 63 1HE LYS 63 -0.001 -5.927 -7.317 554 HZ1 LYS 63 3HZ LYS 63 1.313 -7.513 -8.464 555 HZ2 LYS 63 1HZ LYS 63 2.662 -6.516 -8.486 556 HZ3 LYS 63 2HZ LYS 63 1.247 -6.094 -9.352 557 H LEU 64 H LEU 64 0.970 -5.371 -1.912 558 HA LEU 64 HA LEU 64 3.195 -4.837 -0.282 559 HB2 LEU 64 2HB LEU 64 0.567 -6.068 0.550 560 HB3 LEU 64 1HB LEU 64 1.712 -5.264 1.603 561 HG LEU 64 HG LEU 64 0.025 -3.986 -0.542 562 HD11 LEU 64 1HD1 LEU 64 -0.024 -3.706 2.446 563 HD12 LEU 64 2HD1 LEU 64 -1.213 -4.545 1.451 564 HD13 LEU 64 3HD1 LEU 64 -1.018 -2.800 1.303 565 HD21 LEU 64 3HD2 LEU 64 0.954 -1.840 0.246 566 HD22 LEU 64 1HD2 LEU 64 2.186 -2.877 -0.476 567 HD23 LEU 64 2HD2 LEU 64 2.079 -2.731 1.273 568 H THR 65 H THR 65 1.510 -7.816 -1.027 569 HA THR 65 HA THR 65 2.982 -9.495 0.694 570 HB THR 65 HB THR 65 1.491 -10.208 -1.849 571 HG1 THR 65 1HG THR 65 0.067 -9.265 -0.418 572 HG21 THR 65 3HG2 THR 65 1.325 -12.458 -0.852 573 HG22 THR 65 1HG2 THR 65 2.287 -11.920 0.527 574 HG23 THR 65 2HG2 THR 65 3.014 -11.993 -1.076 575 H ARG 66 H ARG 66 3.439 -8.645 -2.709 576 HA ARG 66 HA ARG 66 5.615 -10.451 -3.020 577 HB2 ARG 66 2HB ARG 66 4.912 -8.073 -4.730 578 HB3 ARG 66 1HB ARG 66 6.029 -9.360 -5.166 579 HG2 ARG 66 2HG ARG 66 4.146 -10.965 -5.002 580 HG3 ARG 66 1HG ARG 66 3.065 -9.600 -4.726 581 HD2 ARG 66 2HD ARG 66 3.872 -8.647 -6.892 582 HD3 ARG 66 1HD ARG 66 4.713 -10.175 -7.171 583 HE ARG 66 HE ARG 66 1.813 -9.771 -6.995 584 HH11 ARG 66 1HH1 ARG 66 4.521 -11.841 -8.033 585 HH12 ARG 66 2HH1 ARG 66 3.501 -12.912 -8.873 586 HH21 ARG 66 1HH2 ARG 66 0.501 -11.240 -8.095 587 HH22 ARG 66 2HH2 ARG 66 1.185 -12.584 -8.913 588 H PHE 67 H PHE 67 5.439 -7.206 -1.828 589 HA PHE 67 HA PHE 67 8.278 -6.826 -2.258 590 HB2 PHE 67 2HB PHE 67 6.617 -4.928 -2.389 591 HB3 PHE 67 1HB PHE 67 6.433 -5.058 -0.645 592 HD1 PHE 67 1HD PHE 67 8.335 -4.362 0.868 593 HD2 PHE 67 2HD PHE 67 8.550 -3.937 -3.377 594 HE1 PHE 67 1HE PHE 67 10.213 -2.835 1.116 595 HE2 PHE 67 2HE PHE 67 10.441 -2.397 -3.108 596 HZ PHE 67 HZ PHE 67 11.274 -1.845 -0.866 597 H PHE 68 H PHE 68 6.155 -6.921 0.603 598 HA PHE 68 HA PHE 68 8.542 -7.716 2.104 599 HB2 PHE 68 2HB PHE 68 7.672 -6.433 4.063 600 HB3 PHE 68 1HB PHE 68 8.149 -5.448 2.690 601 HD1 PHE 68 1HD PHE 68 5.342 -6.644 4.719 602 HD2 PHE 68 2HD PHE 68 6.499 -4.181 1.442 603 HE1 PHE 68 1HE PHE 68 3.144 -5.559 4.749 604 HE2 PHE 68 2HE PHE 68 4.318 -3.108 1.469 605 HZ PHE 68 HZ PHE 68 2.628 -3.796 3.116 606 H LEU 69 H LEU 69 5.023 -8.128 1.937 607 HA LEU 69 HA LEU 69 5.007 -9.606 4.393 608 HB2 LEU 69 2HB LEU 69 3.198 -8.083 3.790 609 HB3 LEU 69 1HB LEU 69 2.743 -9.068 2.438 610 HG LEU 69 HG LEU 69 2.181 -10.896 4.060 611 HD11 LEU 69 1HD1 LEU 69 3.543 -10.176 5.929 612 HD12 LEU 69 2HD1 LEU 69 1.845 -10.270 6.404 613 HD13 LEU 69 3HD1 LEU 69 2.591 -8.703 6.083 614 HD21 LEU 69 3HD2 LEU 69 0.477 -9.472 3.076 615 HD22 LEU 69 1HD2 LEU 69 0.728 -8.271 4.342 616 HD23 LEU 69 2HD2 LEU 69 0.065 -9.858 4.747 617 H LEU 70 H LEU 70 6.243 -10.630 1.717 618 HA LEU 70 HA LEU 70 4.942 -13.134 1.434 619 HB2 LEU 70 2HB LEU 70 6.962 -13.776 0.045 620 HB3 LEU 70 1HB LEU 70 6.015 -12.434 -0.536 621 HG LEU 70 HG LEU 70 7.794 -10.899 0.413 622 HD11 LEU 70 1HD1 LEU 70 8.839 -12.403 1.977 623 HD12 LEU 70 2HD1 LEU 70 10.016 -11.826 0.793 624 HD13 LEU 70 3HD1 LEU 70 9.357 -13.458 0.661 625 HD21 LEU 70 3HD2 LEU 70 9.324 -11.266 -1.453 626 HD22 LEU 70 1HD2 LEU 70 7.637 -11.380 -1.947 627 HD23 LEU 70 2HD2 LEU 70 8.594 -12.847 -1.737 628 H GLU 71 H GLU 71 7.277 -11.940 3.592 629 HA GLU 71 HA GLU 71 8.043 -14.625 4.388 630 HB2 GLU 71 2HB GLU 71 9.205 -11.948 4.992 631 HB3 GLU 71 1HB GLU 71 9.472 -13.262 6.125 632 HG2 GLU 71 2HG GLU 71 10.211 -13.289 3.201 633 HG3 GLU 71 1HG GLU 71 11.313 -13.011 4.546 634 H HIS 72 H HIS 72 5.858 -15.013 5.035 635 HA HIS 72 HA HIS 72 5.358 -14.063 7.764 636 HB2 HIS 72 2HB HIS 72 3.434 -13.816 6.254 637 HB3 HIS 72 1HB HIS 72 3.521 -15.518 5.834 638 HD1 HIS 72 1HD HIS 72 2.758 -13.335 8.888 639 HD2 HIS 72 2HD HIS 72 2.002 -17.144 7.387 640 HE1 HIS 72 1HE HIS 72 1.088 -14.355 10.444 641 HE2 HIS 72 2HE HIS 72 0.671 -16.679 9.531 642 H HIS 73 H HIS 73 5.964 -16.879 5.808 643 HA HIS 73 HA HIS 73 5.821 -18.735 7.929 644 HB2 HIS 73 2HB HIS 73 7.218 -20.246 6.441 645 HB3 HIS 73 1HB HIS 73 5.713 -19.700 5.741 646 HD1 HIS 73 1HD HIS 73 8.884 -17.535 5.579 647 HD2 HIS 73 2HD HIS 73 6.561 -19.987 3.135 648 HE1 HIS 73 1HE HIS 73 9.764 -17.240 3.278 649 HE2 HIS 73 2HE HIS 73 8.314 -18.646 1.809 650 H HIS 74 H HIS 74 7.303 -19.419 9.350 651 HA HIS 74 HA HIS 74 9.421 -17.516 9.763 652 HB2 HIS 74 2HB HIS 74 8.339 -19.699 11.546 653 HB3 HIS 74 1HB HIS 74 9.683 -18.649 11.980 654 HD1 HIS 74 1HD HIS 74 5.970 -18.681 11.632 655 HD2 HIS 74 2HD HIS 74 8.994 -16.006 12.533 656 HE1 HIS 74 1HE HIS 74 4.819 -16.620 12.459 657 HE2 HIS 74 2HE HIS 74 6.659 -14.940 12.582 658 H HIS 75 H HIS 75 11.401 -17.799 9.284 659 HA HIS 75 HA HIS 75 12.703 -20.247 9.725 660 HB2 HIS 75 2HB HIS 75 13.615 -20.678 7.491 661 HB3 HIS 75 1HB HIS 75 11.868 -20.724 7.412 662 HD1 HIS 75 1HD HIS 75 14.793 -19.253 5.745 663 HD2 HIS 75 2HD HIS 75 10.774 -18.260 6.205 664 HE1 HIS 75 1HE HIS 75 14.296 -17.597 3.961 665 HE2 HIS 75 2HE HIS 75 11.938 -16.850 4.390 666 H HIS 76 H HIS 76 14.554 -19.657 10.604 667 HA HIS 76 HA HIS 76 15.642 -17.079 9.732 668 HB2 HIS 76 2HB HIS 76 15.058 -17.407 12.232 669 HB3 HIS 76 1HB HIS 76 16.429 -18.508 12.297 670 HD1 HIS 76 1HD HIS 76 17.563 -16.821 14.003 671 HD2 HIS 76 2HD HIS 76 16.942 -15.286 10.193 672 HE1 HIS 76 1HE HIS 76 18.925 -14.719 13.888 673 HE2 HIS 76 2HE HIS 76 18.392 -13.727 11.632 674 H HIS 77 H HIS 77 15.742 -19.478 8.400 675 HA HIS 77 HA HIS 77 18.619 -19.853 8.182 676 HB2 HIS 77 2HB HIS 77 16.412 -21.863 7.602 677 HB3 HIS 77 1HB HIS 77 18.104 -22.100 7.185 678 HD1 HIS 77 1HD HIS 77 15.880 -23.289 9.536 679 HD2 HIS 77 2HD HIS 77 19.631 -21.565 9.879 680 HE1 HIS 77 1HE HIS 77 16.761 -24.027 11.766 681 HE2 HIS 77 2HE HIS 77 19.112 -23.133 11.841 Start of MODEL 17 1 H1 MET 1 1HT MET 1 -4.853 22.353 -9.356 2 H2 MET 1 2HT MET 1 -4.907 22.579 -11.022 3 H3 MET 1 3HT MET 1 -4.196 23.752 -10.045 4 HA MET 1 HA MET 1 -2.513 22.433 -11.149 5 HB2 MET 1 2HB MET 1 -1.990 23.246 -8.906 6 HB3 MET 1 1HB MET 1 -2.786 21.851 -8.189 7 HG2 MET 1 2HG MET 1 -1.070 20.398 -9.203 8 HG3 MET 1 1HG MET 1 -0.258 21.833 -9.820 9 HE1 MET 1 2HE MET 1 0.817 23.655 -6.515 10 HE2 MET 1 3HE MET 1 -0.664 23.917 -7.426 11 HE3 MET 1 1HE MET 1 0.863 23.695 -8.278 12 H LEU 2 H LEU 2 -2.364 20.632 -12.315 13 HA LEU 2 HA LEU 2 -4.000 18.363 -11.738 14 HB2 LEU 2 2HB LEU 2 -1.756 18.691 -13.737 15 HB3 LEU 2 1HB LEU 2 -2.841 17.322 -13.663 16 HG LEU 2 HG LEU 2 -3.641 20.156 -14.332 17 HD11 LEU 2 1HD1 LEU 2 -3.989 19.287 -16.583 18 HD12 LEU 2 2HD1 LEU 2 -3.376 17.714 -16.077 19 HD13 LEU 2 3HD1 LEU 2 -2.308 19.119 -16.082 20 HD21 LEU 2 3HD2 LEU 2 -5.799 19.148 -14.940 21 HD22 LEU 2 1HD2 LEU 2 -5.447 18.954 -13.225 22 HD23 LEU 2 2HD2 LEU 2 -5.236 17.594 -14.330 23 H LYS 3 H LYS 3 -3.371 17.708 -9.761 24 HA LYS 3 HA LYS 3 -0.652 16.631 -9.533 25 HB2 LYS 3 2HB LYS 3 -1.310 18.438 -7.924 26 HB3 LYS 3 1HB LYS 3 -2.589 17.395 -7.334 27 HG2 LYS 3 2HG LYS 3 -0.971 15.833 -6.460 28 HG3 LYS 3 1HG LYS 3 0.350 16.754 -7.183 29 HD2 LYS 3 2HD LYS 3 -0.243 18.696 -5.801 30 HD3 LYS 3 1HD LYS 3 -1.552 17.776 -5.066 31 HE2 LYS 3 2HE LYS 3 1.372 17.061 -4.926 32 HE3 LYS 3 1HE LYS 3 0.484 17.902 -3.661 33 HZ1 LYS 3 3HZ LYS 3 -0.954 15.945 -3.469 34 HZ2 LYS 3 1HZ LYS 3 0.660 15.557 -3.178 35 HZ3 LYS 3 2HZ LYS 3 -0.062 15.135 -4.629 36 H HIS 4 H HIS 4 -3.897 16.063 -8.195 37 HA HIS 4 HA HIS 4 -5.194 14.244 -7.924 38 HB2 HIS 4 2HB HIS 4 -3.746 13.400 -10.416 39 HB3 HIS 4 1HB HIS 4 -5.058 12.469 -9.715 40 HD1 HIS 4 1HD HIS 4 -4.570 14.615 -12.388 41 HD2 HIS 4 2HD HIS 4 -7.385 14.491 -9.344 42 HE1 HIS 4 1HE HIS 4 -6.536 15.866 -13.248 43 HE2 HIS 4 2HE HIS 4 -8.320 15.334 -11.568 44 H GLY 5 H GLY 5 -2.420 14.113 -6.640 45 HA2 GLY 5 2HA GLY 5 -2.655 11.367 -5.871 46 HA3 GLY 5 1HA GLY 5 -1.226 11.693 -6.839 47 H LYS 6 H LYS 6 -2.264 11.352 -3.842 48 HA LYS 6 HA LYS 6 -0.160 13.121 -2.813 49 HB2 LYS 6 2HB LYS 6 -1.452 13.445 -0.753 50 HB3 LYS 6 1HB LYS 6 -2.343 14.011 -2.155 51 HG2 LYS 6 2HG LYS 6 -3.701 11.976 -2.114 52 HG3 LYS 6 1HG LYS 6 -2.803 11.412 -0.699 53 HD2 LYS 6 2HD LYS 6 -3.542 13.403 0.543 54 HD3 LYS 6 1HD LYS 6 -4.468 13.930 -0.859 55 HE2 LYS 6 2HE LYS 6 -5.809 11.869 -0.725 56 HE3 LYS 6 1HE LYS 6 -4.895 11.382 0.699 57 HZ1 LYS 6 3HZ LYS 6 -6.636 13.783 0.473 58 HZ2 LYS 6 1HZ LYS 6 -5.696 13.399 1.817 59 HZ3 LYS 6 2HZ LYS 6 -6.954 12.392 1.367 60 H TYR 7 H TYR 7 0.859 12.316 -0.841 61 HA TYR 7 HA TYR 7 1.059 9.414 -0.979 62 HB2 TYR 7 2HB TYR 7 2.893 11.515 0.122 63 HB3 TYR 7 1HB TYR 7 3.111 9.800 0.444 64 HD1 TYR 7 2HD TYR 7 3.592 8.262 -1.422 65 HD2 TYR 7 1HD TYR 7 3.532 12.479 -1.960 66 HE1 TYR 7 2HE TYR 7 4.841 8.003 -3.512 67 HE2 TYR 7 1HE TYR 7 4.783 12.224 -4.061 68 HH TYR 7 HH TYR 7 6.352 10.507 -5.044 69 H VAL 8 H VAL 8 0.420 8.162 0.558 70 HA VAL 8 HA VAL 8 0.083 9.204 3.260 71 HB VAL 8 HB VAL 8 -1.999 7.990 3.596 72 HG11 VAL 8 1HG1 VAL 8 -2.284 10.244 2.758 73 HG12 VAL 8 2HG1 VAL 8 -3.576 9.192 2.180 74 HG13 VAL 8 3HG1 VAL 8 -2.259 9.646 1.098 75 HG21 VAL 8 3HG2 VAL 8 -3.175 6.828 1.772 76 HG22 VAL 8 1HG2 VAL 8 -1.613 6.092 2.140 77 HG23 VAL 8 2HG2 VAL 8 -1.789 7.119 0.720 78 H TYR 9 H TYR 9 -0.400 7.000 4.633 79 HA TYR 9 HA TYR 9 1.576 5.067 3.643 80 HB2 TYR 9 2HB TYR 9 1.117 6.069 6.434 81 HB3 TYR 9 1HB TYR 9 1.954 4.561 6.099 82 HD1 TYR 9 2HD TYR 9 2.075 8.217 5.572 83 HD2 TYR 9 1HD TYR 9 4.236 4.563 5.515 84 HE1 TYR 9 2HE TYR 9 4.173 9.460 5.373 85 HE2 TYR 9 1HE TYR 9 6.335 5.800 5.331 86 HH TYR 9 HH TYR 9 7.098 7.967 4.580 87 H ILE 10 H ILE 10 1.084 3.004 3.843 88 HA ILE 10 HA ILE 10 -1.650 2.414 4.628 89 HB ILE 10 HB ILE 10 0.426 0.583 3.391 90 HG12 ILE 10 2HG1 ILE 10 -0.224 2.259 1.793 91 HG13 ILE 10 1HG1 ILE 10 -0.990 0.743 1.350 92 HG21 ILE 10 1HG2 ILE 10 -1.394 -0.996 2.979 93 HG22 ILE 10 2HG2 ILE 10 -2.499 0.053 3.875 94 HG23 ILE 10 3HG2 ILE 10 -1.143 -0.710 4.702 95 HD11 ILE 10 3HD1 ILE 10 -2.578 2.504 1.056 96 HD12 ILE 10 1HD1 ILE 10 -2.278 3.103 2.696 97 HD13 ILE 10 2HD1 ILE 10 -3.050 1.544 2.465 98 H ASP 11 H ASP 11 -2.164 1.603 6.471 99 HA ASP 11 HA ASP 11 -0.154 1.162 8.459 100 HB2 ASP 11 2HB ASP 11 -2.230 2.227 9.177 101 HB3 ASP 11 1HB ASP 11 -3.168 0.841 8.641 102 H LEU 12 H LEU 12 0.911 -0.451 7.441 103 HA LEU 12 HA LEU 12 -0.115 -3.078 7.034 104 HB2 LEU 12 2HB LEU 12 2.691 -2.253 7.745 105 HB3 LEU 12 1HB LEU 12 2.208 -3.733 6.948 106 HG LEU 12 HG LEU 12 1.981 -0.979 5.739 107 HD11 LEU 12 1HD1 LEU 12 4.302 -1.622 6.093 108 HD12 LEU 12 2HD1 LEU 12 3.897 -1.678 4.375 109 HD13 LEU 12 3HD1 LEU 12 4.007 -3.168 5.307 110 HD21 LEU 12 3HD2 LEU 12 0.349 -2.559 4.834 111 HD22 LEU 12 1HD2 LEU 12 1.628 -3.737 4.541 112 HD23 LEU 12 2HD2 LEU 12 1.606 -2.223 3.643 113 H ASN 13 H ASN 13 1.543 -1.339 9.523 114 HA ASN 13 HA ASN 13 1.521 -1.374 11.800 115 HB2 ASN 13 2HB ASN 13 -0.969 -1.843 11.312 116 HB3 ASN 13 1HB ASN 13 -0.603 -3.523 11.651 117 HD21 ASN 13 1HD2 ASN 13 -1.026 -0.396 12.891 118 HD22 ASN 13 2HD2 ASN 13 -1.047 -0.785 14.578 119 H ASN 14 H ASN 14 2.851 -3.512 9.984 120 HA ASN 14 HA ASN 14 3.317 -5.656 11.932 121 HB2 ASN 14 2HB ASN 14 4.120 -6.971 10.056 122 HB3 ASN 14 1HB ASN 14 2.553 -6.280 9.656 123 HD21 ASN 14 1HD2 ASN 14 4.408 -7.262 7.808 124 HD22 ASN 14 2HD2 ASN 14 4.896 -5.947 6.791 125 H GLY 15 H GLY 15 4.567 -2.913 11.873 126 HA2 GLY 15 2HA GLY 15 6.662 -2.454 12.959 127 HA3 GLY 15 1HA GLY 15 7.342 -3.854 12.147 128 H LYS 16 H LYS 16 5.671 -2.567 9.735 129 HA LYS 16 HA LYS 16 7.281 -0.283 9.250 130 HB2 LYS 16 2HB LYS 16 7.798 -1.075 6.861 131 HB3 LYS 16 1HB LYS 16 8.784 -1.709 8.149 132 HG2 LYS 16 2HG LYS 16 6.452 -3.239 7.051 133 HG3 LYS 16 1HG LYS 16 8.042 -3.292 6.274 134 HD2 LYS 16 2HD LYS 16 8.978 -4.001 8.472 135 HD3 LYS 16 1HD LYS 16 7.335 -4.131 9.102 136 HE2 LYS 16 2HE LYS 16 7.998 -6.328 8.479 137 HE3 LYS 16 1HE LYS 16 6.901 -5.766 7.218 138 HZ1 LYS 16 3HZ LYS 16 8.839 -6.856 6.251 139 HZ2 LYS 16 1HZ LYS 16 9.860 -5.817 7.078 140 HZ3 LYS 16 2HZ LYS 16 8.906 -5.211 5.863 141 H TYR 17 H TYR 17 6.590 0.869 7.332 142 HA TYR 17 HA TYR 17 3.747 0.474 6.698 143 HB2 TYR 17 2HB TYR 17 5.046 2.995 7.744 144 HB3 TYR 17 1HB TYR 17 3.588 3.047 6.773 145 HD1 TYR 17 2HD TYR 17 4.827 1.187 9.782 146 HD2 TYR 17 1HD TYR 17 1.640 3.312 7.948 147 HE1 TYR 17 2HE TYR 17 3.487 0.929 11.812 148 HE2 TYR 17 1HE TYR 17 0.299 3.065 9.983 149 HH TYR 17 HH TYR 17 0.196 1.541 11.880 150 H VAL 18 H VAL 18 3.234 1.050 4.633 151 HA VAL 18 HA VAL 18 5.506 1.752 2.937 152 HB VAL 18 HB VAL 18 4.475 -0.339 2.230 153 HG11 VAL 18 1HG1 VAL 18 1.898 1.170 2.121 154 HG12 VAL 18 2HG1 VAL 18 2.337 -0.102 3.272 155 HG13 VAL 18 3HG1 VAL 18 2.131 -0.484 1.562 156 HG21 VAL 18 3HG2 VAL 18 5.206 1.072 0.396 157 HG22 VAL 18 1HG2 VAL 18 3.641 1.892 0.380 158 HG23 VAL 18 2HG2 VAL 18 3.749 0.188 -0.060 159 H LYS 19 H LYS 19 5.580 3.559 1.846 160 HA LYS 19 HA LYS 19 3.399 5.446 2.242 161 HB2 LYS 19 2HB LYS 19 5.727 6.137 2.783 162 HB3 LYS 19 1HB LYS 19 6.160 5.886 1.098 163 HG2 LYS 19 2HG LYS 19 4.704 7.661 0.411 164 HG3 LYS 19 1HG LYS 19 4.115 7.872 2.063 165 HD2 LYS 19 2HD LYS 19 6.392 8.455 2.781 166 HD3 LYS 19 1HD LYS 19 6.948 8.279 1.115 167 HE2 LYS 19 2HE LYS 19 5.427 10.076 0.437 168 HE3 LYS 19 1HE LYS 19 4.888 10.244 2.101 169 HZ1 LYS 19 3HZ LYS 19 7.137 10.887 2.723 170 HZ2 LYS 19 1HZ LYS 19 6.537 11.892 1.517 171 HZ3 LYS 19 2HZ LYS 19 7.646 10.711 1.116 172 H VAL 20 H VAL 20 1.958 5.478 0.780 173 HA VAL 20 HA VAL 20 2.623 4.625 -1.946 174 HB VAL 20 HB VAL 20 1.259 2.991 -0.711 175 HG11 VAL 20 1HG1 VAL 20 0.167 4.404 0.870 176 HG12 VAL 20 2HG1 VAL 20 -1.047 3.513 -0.055 177 HG13 VAL 20 3HG1 VAL 20 -0.731 5.211 -0.414 178 HG21 VAL 20 3HG2 VAL 20 -0.282 4.393 -2.901 179 HG22 VAL 20 1HG2 VAL 20 -0.651 2.785 -2.271 180 HG23 VAL 20 2HG2 VAL 20 0.879 3.073 -3.087 181 H ARG 21 H ARG 21 1.834 5.837 -3.593 182 HA ARG 21 HA ARG 21 0.657 8.415 -2.936 183 HB2 ARG 21 2HB ARG 21 2.547 8.293 -4.606 184 HB3 ARG 21 1HB ARG 21 1.495 7.356 -5.660 185 HG2 ARG 21 2HG ARG 21 -0.112 9.291 -5.609 186 HG3 ARG 21 1HG ARG 21 1.136 10.213 -4.783 187 HD2 ARG 21 2HD ARG 21 1.352 8.981 -7.530 188 HD3 ARG 21 1HD ARG 21 1.082 10.683 -7.175 189 HE ARG 21 HE ARG 21 3.510 9.581 -6.054 190 HH11 ARG 21 1HH1 ARG 21 2.066 11.271 -8.798 191 HH12 ARG 21 2HH1 ARG 21 3.549 11.756 -9.474 192 HH21 ARG 21 1HH2 ARG 21 5.522 10.252 -6.939 193 HH22 ARG 21 2HH2 ARG 21 5.565 11.217 -8.356 194 H ILE 22 H ILE 22 -1.427 8.689 -3.083 195 HA ILE 22 HA ILE 22 -3.112 6.607 -4.266 196 HB ILE 22 HB ILE 22 -3.979 9.054 -2.706 197 HG12 ILE 22 2HG1 ILE 22 -2.442 7.730 -1.300 198 HG13 ILE 22 1HG1 ILE 22 -4.087 7.696 -0.682 199 HG21 ILE 22 1HG2 ILE 22 -5.381 6.434 -3.225 200 HG22 ILE 22 2HG2 ILE 22 -5.726 7.968 -4.010 201 HG23 ILE 22 3HG2 ILE 22 -6.022 7.780 -2.280 202 HD11 ILE 22 3HD1 ILE 22 -2.897 5.558 -0.532 203 HD12 ILE 22 1HD1 ILE 22 -2.810 5.496 -2.291 204 HD13 ILE 22 2HD1 ILE 22 -4.386 5.466 -1.452 205 H LEU 23 H LEU 23 -3.212 7.050 -6.489 206 HA LEU 23 HA LEU 23 -3.535 9.769 -7.389 207 HB2 LEU 23 2HB LEU 23 -3.815 7.152 -8.878 208 HB3 LEU 23 1HB LEU 23 -3.846 8.735 -9.620 209 HG LEU 23 HG LEU 23 -1.459 7.535 -8.210 210 HD11 LEU 23 1HD1 LEU 23 -0.536 7.291 -10.465 211 HD12 LEU 23 2HD1 LEU 23 -2.061 7.851 -11.151 212 HD13 LEU 23 3HD1 LEU 23 -1.998 6.331 -10.257 213 HD21 LEU 23 3HD2 LEU 23 -1.497 9.971 -8.138 214 HD22 LEU 23 1HD2 LEU 23 -1.757 10.030 -9.883 215 HD23 LEU 23 2HD2 LEU 23 -0.242 9.397 -9.236 216 H LYS 24 H LYS 24 -5.369 10.696 -7.069 217 HA LYS 24 HA LYS 24 -7.820 9.075 -7.035 218 HB2 LYS 24 2HB LYS 24 -7.275 11.792 -5.843 219 HB3 LYS 24 1HB LYS 24 -8.824 10.962 -5.813 220 HG2 LYS 24 2HG LYS 24 -7.906 9.214 -4.419 221 HG3 LYS 24 1HG LYS 24 -6.294 9.922 -4.559 222 HD2 LYS 24 2HD LYS 24 -7.277 10.509 -2.420 223 HD3 LYS 24 1HD LYS 24 -7.097 11.947 -3.416 224 HE2 LYS 24 2HE LYS 24 -9.228 12.061 -2.351 225 HE3 LYS 24 1HE LYS 24 -9.522 11.712 -4.045 226 HZ1 LYS 24 3HZ LYS 24 -9.830 9.336 -3.408 227 HZ2 LYS 24 1HZ LYS 24 -10.908 10.372 -2.637 228 HZ3 LYS 24 2HZ LYS 24 -9.597 9.778 -1.796 229 H SER 25 H SER 25 -8.582 9.102 -9.049 230 HA SER 25 HA SER 25 -8.868 11.711 -10.299 231 HB2 SER 25 2HB SER 25 -9.020 8.978 -11.555 232 HB3 SER 25 1HB SER 25 -9.064 10.519 -12.419 233 HG SER 25 HG SER 25 -6.924 10.837 -11.268 234 H ARG 26 H ARG 26 -10.614 12.299 -9.153 235 HA ARG 26 HA ARG 26 -13.039 10.734 -9.092 236 HB2 ARG 26 2HB ARG 26 -12.285 12.174 -7.196 237 HB3 ARG 26 1HB ARG 26 -12.460 13.580 -8.226 238 HG2 ARG 26 2HG ARG 26 -14.860 13.137 -8.400 239 HG3 ARG 26 1HG ARG 26 -14.679 11.760 -7.313 240 HD2 ARG 26 2HD ARG 26 -14.018 14.627 -6.657 241 HD3 ARG 26 1HD ARG 26 -15.462 13.764 -6.143 242 HE ARG 26 HE ARG 26 -13.300 12.283 -5.290 243 HH11 ARG 26 1HH1 ARG 26 -14.717 15.472 -4.635 244 HH12 ARG 26 2HH1 ARG 26 -14.071 15.608 -3.068 245 HH21 ARG 26 1HH2 ARG 26 -12.460 12.461 -3.079 246 HH22 ARG 26 2HH2 ARG 26 -12.752 13.879 -2.174 247 H ASP 27 H ASP 27 -11.447 12.860 -11.125 248 HA ASP 27 HA ASP 27 -13.431 14.381 -12.385 249 HB2 ASP 27 2HB ASP 27 -10.874 13.276 -13.571 250 HB3 ASP 27 1HB ASP 27 -11.873 14.516 -14.313 251 H ASP 28 H ASP 28 -12.649 11.068 -12.703 252 HA ASP 28 HA ASP 28 -14.368 10.741 -15.053 253 HB2 ASP 28 2HB ASP 28 -12.368 9.345 -15.027 254 HB3 ASP 28 1HB ASP 28 -12.804 8.699 -13.447 255 H ASN 29 H ASN 29 -14.077 9.390 -11.833 256 HA ASN 29 HA ASN 29 -16.659 9.830 -10.895 257 HB2 ASN 29 2HB ASN 29 -17.287 8.106 -12.659 258 HB3 ASN 29 1HB ASN 29 -16.210 6.975 -11.856 259 HD21 ASN 29 1HD2 ASN 29 -16.891 6.010 -9.846 260 HD22 ASN 29 2HD2 ASN 29 -18.519 6.200 -9.321 261 H SER 30 H SER 30 -14.537 7.020 -11.013 262 HA SER 30 HA SER 30 -13.208 7.730 -8.619 263 HB2 SER 30 2HB SER 30 -13.877 5.587 -7.422 264 HB3 SER 30 1HB SER 30 -15.109 6.844 -7.495 265 HG SER 30 HG SER 30 -14.937 4.430 -8.951 266 H VAL 31 H VAL 31 -11.517 7.636 -10.128 267 HA VAL 31 HA VAL 31 -10.642 4.879 -10.530 268 HB VAL 31 HB VAL 31 -9.759 7.324 -12.126 269 HG11 VAL 31 1HG1 VAL 31 -9.026 4.417 -12.473 270 HG12 VAL 31 2HG1 VAL 31 -7.965 5.693 -11.884 271 HG13 VAL 31 3HG1 VAL 31 -8.549 5.733 -13.548 272 HG21 VAL 31 3HG2 VAL 31 -10.888 6.274 -14.035 273 HG22 VAL 31 1HG2 VAL 31 -12.019 6.646 -12.731 274 HG23 VAL 31 2HG2 VAL 31 -11.465 4.992 -12.974 275 H GLU 32 H GLU 32 -9.803 4.717 -8.529 276 HA GLU 32 HA GLU 32 -7.723 6.639 -7.867 277 HB2 GLU 32 2HB GLU 32 -9.078 4.652 -6.043 278 HB3 GLU 32 1HB GLU 32 -7.863 5.827 -5.570 279 HG2 GLU 32 2HG GLU 32 -9.424 7.624 -6.279 280 HG3 GLU 32 1HG GLU 32 -10.644 6.383 -6.549 281 H LYS 33 H LYS 33 -5.977 5.993 -8.757 282 HA LYS 33 HA LYS 33 -5.336 3.178 -8.632 283 HB2 LYS 33 2HB LYS 33 -4.192 5.392 -10.319 284 HB3 LYS 33 1HB LYS 33 -3.381 3.844 -10.157 285 HG2 LYS 33 2HG LYS 33 -6.245 3.941 -11.022 286 HG3 LYS 33 1HG LYS 33 -4.977 4.307 -12.178 287 HD2 LYS 33 2HD LYS 33 -5.587 1.956 -12.376 288 HD3 LYS 33 1HD LYS 33 -3.966 2.084 -11.731 289 HE2 LYS 33 2HE LYS 33 -4.756 1.537 -9.516 290 HE3 LYS 33 1HE LYS 33 -6.440 1.559 -10.062 291 HZ1 LYS 33 3HZ LYS 33 -5.958 -0.353 -11.451 292 HZ2 LYS 33 1HZ LYS 33 -5.501 -0.730 -9.889 293 HZ3 LYS 33 2HZ LYS 33 -4.338 -0.331 -11.010 294 H TYR 34 H TYR 34 -4.533 2.682 -6.855 295 HA TYR 34 HA TYR 34 -2.795 4.380 -5.339 296 HB2 TYR 34 2HB TYR 34 -3.346 1.423 -4.960 297 HB3 TYR 34 1HB TYR 34 -2.890 2.599 -3.728 298 HD1 TYR 34 2HD TYR 34 -4.575 4.328 -3.059 299 HD2 TYR 34 1HD TYR 34 -5.638 1.024 -5.469 300 HE1 TYR 34 2HE TYR 34 -6.955 4.710 -2.494 301 HE2 TYR 34 1HE TYR 34 -8.017 1.373 -4.945 302 HH TYR 34 HH TYR 34 -9.253 4.168 -3.561 303 H VAL 35 H VAL 35 -0.562 4.226 -5.437 304 HA VAL 35 HA VAL 35 0.450 3.005 -7.770 305 HB VAL 35 HB VAL 35 1.455 5.084 -6.782 306 HG11 VAL 35 1HG1 VAL 35 2.722 3.190 -4.846 307 HG12 VAL 35 2HG1 VAL 35 1.526 4.435 -4.492 308 HG13 VAL 35 3HG1 VAL 35 3.142 4.898 -5.041 309 HG21 VAL 35 3HG2 VAL 35 3.394 2.837 -7.342 310 HG22 VAL 35 1HG2 VAL 35 3.798 4.554 -7.364 311 HG23 VAL 35 2HG2 VAL 35 2.650 3.897 -8.533 312 H LEU 36 H LEU 36 1.888 1.421 -8.069 313 HA LEU 36 HA LEU 36 1.297 -0.895 -6.588 314 HB2 LEU 36 2HB LEU 36 2.814 -0.454 -9.134 315 HB3 LEU 36 1HB LEU 36 2.570 -2.024 -8.416 316 HG LEU 36 HG LEU 36 0.995 -1.843 -10.152 317 HD11 LEU 36 1HD1 LEU 36 -0.486 -1.275 -7.609 318 HD12 LEU 36 2HD1 LEU 36 0.078 -2.839 -8.188 319 HD13 LEU 36 3HD1 LEU 36 -1.172 -1.971 -9.079 320 HD21 LEU 36 3HD2 LEU 36 0.150 0.845 -9.062 321 HD22 LEU 36 1HD2 LEU 36 -0.613 0.003 -10.412 322 HD23 LEU 36 2HD2 LEU 36 1.055 0.563 -10.548 323 H THR 37 H THR 37 3.618 1.294 -5.925 324 HA THR 37 HA THR 37 5.743 -0.679 -5.653 325 HB THR 37 HB THR 37 6.378 1.588 -6.488 326 HG1 THR 37 1HG THR 37 8.231 1.472 -5.509 327 HG21 THR 37 3HG2 THR 37 4.813 2.981 -5.242 328 HG22 THR 37 1HG2 THR 37 6.461 3.495 -4.890 329 HG23 THR 37 2HG2 THR 37 5.570 2.524 -3.718 330 H SER 38 H SER 38 6.731 -1.121 -3.700 331 HA SER 38 HA SER 38 4.886 -1.041 -1.437 332 HB2 SER 38 2HB SER 38 7.012 -3.060 -2.142 333 HB3 SER 38 1HB SER 38 5.804 -3.203 -0.864 334 HG SER 38 HG SER 38 4.513 -2.618 -3.045 335 H HIS 39 H HIS 39 6.919 0.849 -2.223 336 HA HIS 39 HA HIS 39 9.301 1.026 -0.831 337 HB2 HIS 39 2HB HIS 39 8.435 2.573 -2.537 338 HB3 HIS 39 1HB HIS 39 7.275 3.204 -1.386 339 HD1 HIS 39 1HD HIS 39 8.394 4.583 0.665 340 HD2 HIS 39 2HD HIS 39 10.803 3.844 -2.625 341 HE1 HIS 39 1HE HIS 39 10.212 6.274 0.784 342 HE2 HIS 39 2HE HIS 39 11.349 6.061 -1.419 343 H VAL 40 H VAL 40 9.352 0.352 1.306 344 HA VAL 40 HA VAL 40 7.406 1.479 3.197 345 HB VAL 40 HB VAL 40 8.072 -0.355 4.775 346 HG11 VAL 40 1HG1 VAL 40 6.831 -1.135 2.155 347 HG12 VAL 40 2HG1 VAL 40 6.017 -0.490 3.588 348 HG13 VAL 40 3HG1 VAL 40 6.758 -2.086 3.637 349 HG21 VAL 40 3HG2 VAL 40 9.356 -1.574 2.327 350 HG22 VAL 40 1HG2 VAL 40 9.135 -2.349 3.890 351 HG23 VAL 40 2HG2 VAL 40 10.227 -0.968 3.744 352 H SER 41 H SER 41 7.899 2.111 5.208 353 HA SER 41 HA SER 41 10.687 2.775 5.827 354 HB2 SER 41 2HB SER 41 8.155 4.284 6.567 355 HB3 SER 41 1HB SER 41 9.794 4.741 7.025 356 HG SER 41 HG SER 41 10.282 5.046 4.872 357 H LYS 42 H LYS 42 11.278 2.278 7.973 358 HA LYS 42 HA LYS 42 9.612 0.247 9.159 359 HB2 LYS 42 2HB LYS 42 12.016 -0.116 8.785 360 HB3 LYS 42 1HB LYS 42 12.384 1.187 9.898 361 HG2 LYS 42 2HG LYS 42 11.494 -0.061 11.752 362 HG3 LYS 42 1HG LYS 42 10.907 -1.321 10.666 363 HD2 LYS 42 2HD LYS 42 13.813 -0.583 11.026 364 HD3 LYS 42 1HD LYS 42 13.019 -1.920 11.857 365 HE2 LYS 42 2HE LYS 42 12.499 -2.936 9.670 366 HE3 LYS 42 1HE LYS 42 13.346 -1.619 8.865 367 HZ1 LYS 42 3HZ LYS 42 15.377 -2.297 9.930 368 HZ2 LYS 42 1HZ LYS 42 14.720 -3.595 9.096 369 HZ3 LYS 42 2HZ LYS 42 14.599 -3.515 10.776 370 H ASN 43 H ASN 43 10.286 3.577 9.741 371 HA ASN 43 HA ASN 43 9.260 3.283 12.447 372 HB2 ASN 43 2HB ASN 43 10.504 5.730 11.149 373 HB3 ASN 43 1HB ASN 43 9.844 5.685 12.775 374 HD21 ASN 43 1HD2 ASN 43 12.455 4.708 10.740 375 HD22 ASN 43 2HD2 ASN 43 13.493 4.110 11.988 376 H ARG 44 H ARG 44 7.343 3.929 13.049 377 HA ARG 44 HA ARG 44 5.400 4.130 11.025 378 HB2 ARG 44 2HB ARG 44 4.960 4.781 13.932 379 HB3 ARG 44 1HB ARG 44 3.755 4.301 12.754 380 HG2 ARG 44 2HG ARG 44 5.071 2.108 12.586 381 HG3 ARG 44 1HG ARG 44 5.843 2.613 14.085 382 HD2 ARG 44 2HD ARG 44 2.916 2.126 13.585 383 HD3 ARG 44 1HD ARG 44 3.976 1.244 14.670 384 HE ARG 44 HE ARG 44 4.066 3.241 16.045 385 HH11 ARG 44 1HH1 ARG 44 1.367 2.943 13.722 386 HH12 ARG 44 2HH1 ARG 44 0.344 3.991 14.557 387 HH21 ARG 44 1HH2 ARG 44 2.602 4.678 17.244 388 HH22 ARG 44 2HH2 ARG 44 1.072 5.034 16.618 389 HA PRO 45 HA PRO 45 5.330 8.531 10.534 390 HB2 PRO 45 2HB PRO 45 3.036 8.712 9.138 391 HB3 PRO 45 1HB PRO 45 4.538 8.194 8.386 392 HG2 PRO 45 2HG PRO 45 2.211 6.581 9.306 393 HG3 PRO 45 1HG PRO 45 3.279 6.342 7.909 394 HD2 PRO 45 2HD PRO 45 3.473 4.917 10.236 395 HD3 PRO 45 1HD PRO 45 4.827 5.194 9.124 396 H LYS 46 H LYS 46 4.389 10.177 11.559 397 HA LYS 46 HA LYS 46 2.040 9.566 13.191 398 HB2 LYS 46 2HB LYS 46 4.222 11.611 13.666 399 HB3 LYS 46 1HB LYS 46 2.774 11.450 14.648 400 HG2 LYS 46 2HG LYS 46 3.428 9.175 15.239 401 HG3 LYS 46 1HG LYS 46 4.883 9.342 14.261 402 HD2 LYS 46 2HD LYS 46 5.677 11.120 15.694 403 HD3 LYS 46 1HD LYS 46 4.186 11.060 16.638 404 HE2 LYS 46 2HE LYS 46 6.151 8.793 16.342 405 HE3 LYS 46 1HE LYS 46 6.063 9.886 17.720 406 HZ1 LYS 46 3HZ LYS 46 3.841 8.068 16.864 407 HZ2 LYS 46 1HZ LYS 46 3.859 9.094 18.201 408 HZ3 LYS 46 2HZ LYS 46 4.907 7.804 18.149 409 H ASN 47 H ASN 47 3.611 12.177 11.369 410 HA ASN 47 HA ASN 47 0.958 13.282 10.990 411 HB2 ASN 47 2HB ASN 47 3.659 14.514 10.440 412 HB3 ASN 47 1HB ASN 47 2.146 15.249 9.924 413 HD21 ASN 47 1HD2 ASN 47 4.192 14.492 12.571 414 HD22 ASN 47 2HD2 ASN 47 3.362 15.427 13.758 415 H ALA 48 H ALA 48 0.371 11.519 9.736 416 HA ALA 48 HA ALA 48 0.403 12.143 7.000 417 HB1 ALA 48 1HB ALA 48 1.354 10.059 6.192 418 HB2 ALA 48 2HB ALA 48 1.711 9.556 7.838 419 HB3 ALA 48 3HB ALA 48 2.568 10.931 7.133 420 H ILE 49 H ILE 49 -1.104 10.733 5.926 421 HA ILE 49 HA ILE 49 -3.189 9.828 7.735 422 HB ILE 49 HB ILE 49 -3.126 10.000 4.705 423 HG12 ILE 49 2HG1 ILE 49 -2.889 12.226 5.643 424 HG13 ILE 49 1HG1 ILE 49 -4.499 12.044 4.960 425 HG21 ILE 49 1HG2 ILE 49 -5.566 9.842 4.798 426 HG22 ILE 49 2HG2 ILE 49 -5.479 9.647 6.545 427 HG23 ILE 49 3HG2 ILE 49 -4.795 8.410 5.486 428 HD11 ILE 49 3HD1 ILE 49 -4.565 13.264 7.052 429 HD12 ILE 49 1HD1 ILE 49 -3.782 11.920 7.883 430 HD13 ILE 49 2HD1 ILE 49 -5.400 11.721 7.217 431 H VAL 50 H VAL 50 -3.631 7.689 8.076 432 HA VAL 50 HA VAL 50 -2.086 5.810 6.465 433 HB VAL 50 HB VAL 50 -2.088 4.228 8.353 434 HG11 VAL 50 1HG1 VAL 50 -0.967 6.934 9.023 435 HG12 VAL 50 2HG1 VAL 50 -0.177 5.662 8.085 436 HG13 VAL 50 3HG1 VAL 50 -0.498 5.425 9.803 437 HG21 VAL 50 3HG2 VAL 50 -2.735 4.945 10.606 438 HG22 VAL 50 1HG2 VAL 50 -4.115 4.957 9.509 439 HG23 VAL 50 2HG2 VAL 50 -3.332 6.475 9.958 440 H ILE 51 H ILE 51 -3.050 4.254 5.430 441 HA ILE 51 HA ILE 51 -5.924 3.743 5.918 442 HB ILE 51 HB ILE 51 -4.436 3.379 3.282 443 HG12 ILE 51 2HG1 ILE 51 -6.247 5.666 4.107 444 HG13 ILE 51 1HG1 ILE 51 -4.520 5.777 3.833 445 HG21 ILE 51 1HG2 ILE 51 -6.401 1.963 3.556 446 HG22 ILE 51 2HG2 ILE 51 -6.696 3.189 2.319 447 HG23 ILE 51 3HG2 ILE 51 -7.391 3.375 3.928 448 HD11 ILE 51 3HD1 ILE 51 -5.765 6.668 1.935 449 HD12 ILE 51 1HD1 ILE 51 -6.578 5.119 1.728 450 HD13 ILE 51 2HD1 ILE 51 -4.841 5.242 1.464 451 H LYS 52 H LYS 52 -6.382 1.551 6.251 452 HA LYS 52 HA LYS 52 -4.056 -0.156 6.626 453 HB2 LYS 52 2HB LYS 52 -5.916 0.091 8.318 454 HB3 LYS 52 1HB LYS 52 -6.970 -0.738 7.188 455 HG2 LYS 52 2HG LYS 52 -5.601 -2.735 7.343 456 HG3 LYS 52 1HG LYS 52 -4.484 -1.891 8.422 457 HD2 LYS 52 2HD LYS 52 -6.374 -1.532 9.992 458 HD3 LYS 52 1HD LYS 52 -7.375 -2.518 8.932 459 HE2 LYS 52 2HE LYS 52 -5.959 -4.438 9.317 460 HE3 LYS 52 1HE LYS 52 -4.838 -3.460 10.265 461 HZ1 LYS 52 3HZ LYS 52 -6.326 -4.746 11.668 462 HZ2 LYS 52 1HZ LYS 52 -7.671 -4.017 10.983 463 HZ3 LYS 52 2HZ LYS 52 -6.590 -3.105 11.896 464 H MET 53 H MET 53 -3.977 -2.380 5.691 465 HA MET 53 HA MET 53 -4.321 -2.414 2.912 466 HB2 MET 53 2HB MET 53 -4.015 -4.718 4.812 467 HB3 MET 53 1HB MET 53 -4.012 -4.926 3.070 468 HG2 MET 53 2HG MET 53 -2.052 -3.397 2.950 469 HG3 MET 53 1HG MET 53 -2.009 -3.379 4.711 470 HE1 MET 53 3HE MET 53 -1.375 -5.528 6.197 471 HE2 MET 53 1HE MET 53 -1.127 -7.138 5.522 472 HE3 MET 53 2HE MET 53 -2.723 -6.397 5.465 473 H ASP 54 H ASP 54 -6.428 -3.334 5.383 474 HA ASP 54 HA ASP 54 -8.384 -4.904 4.253 475 HB2 ASP 54 2HB ASP 54 -8.358 -4.238 6.591 476 HB3 ASP 54 1HB ASP 54 -8.720 -2.582 6.148 477 H ASN 55 H ASN 55 -7.831 -1.485 3.679 478 HA ASN 55 HA ASN 55 -10.357 -1.191 2.235 479 HB2 ASN 55 2HB ASN 55 -9.534 0.552 3.857 480 HB3 ASN 55 1HB ASN 55 -8.211 0.879 2.746 481 HD21 ASN 55 1HD2 ASN 55 -8.654 2.027 0.833 482 HD22 ASN 55 2HD2 ASN 55 -10.164 2.805 0.551 483 H LEU 56 H LEU 56 -7.226 -2.148 1.514 484 HA LEU 56 HA LEU 56 -7.099 -0.770 -1.021 485 HB2 LEU 56 2HB LEU 56 -5.091 -2.392 0.500 486 HB3 LEU 56 1HB LEU 56 -4.847 -2.054 -1.194 487 HG LEU 56 HG LEU 56 -3.572 -0.507 0.162 488 HD11 LEU 56 1HD1 LEU 56 -4.429 0.324 -1.945 489 HD12 LEU 56 2HD1 LEU 56 -4.326 1.608 -0.747 490 HD13 LEU 56 3HD1 LEU 56 -5.890 0.901 -1.143 491 HD21 LEU 56 3HD2 LEU 56 -4.820 -0.437 2.214 492 HD22 LEU 56 1HD2 LEU 56 -6.218 0.247 1.375 493 HD23 LEU 56 2HD2 LEU 56 -4.762 1.199 1.542 494 HA PRO 57 HA PRO 57 -8.620 -4.166 -3.426 495 HB2 PRO 57 2HB PRO 57 -6.887 -3.158 -5.589 496 HB3 PRO 57 1HB PRO 57 -8.646 -3.326 -5.539 497 HG2 PRO 57 2HG PRO 57 -7.491 -0.921 -5.426 498 HG3 PRO 57 1HG PRO 57 -8.944 -1.296 -4.482 499 HD2 PRO 57 2HD PRO 57 -6.089 -1.195 -3.604 500 HD3 PRO 57 1HD PRO 57 -7.548 -0.549 -2.827 501 H ILE 58 H ILE 58 -7.842 -5.950 -4.741 502 HA ILE 58 HA ILE 58 -5.752 -7.251 -3.454 503 HB ILE 58 HB ILE 58 -5.978 -9.061 -5.189 504 HG12 ILE 58 2HG1 ILE 58 -8.187 -8.953 -6.523 505 HG13 ILE 58 1HG1 ILE 58 -8.140 -7.220 -6.257 506 HG21 ILE 58 1HG2 ILE 58 -8.426 -8.196 -3.701 507 HG22 ILE 58 2HG2 ILE 58 -7.093 -9.185 -3.095 508 HG23 ILE 58 3HG2 ILE 58 -8.149 -9.805 -4.365 509 HD11 ILE 58 3HD1 ILE 58 -6.008 -7.119 -7.472 510 HD12 ILE 58 1HD1 ILE 58 -7.311 -7.789 -8.453 511 HD13 ILE 58 2HD1 ILE 58 -6.100 -8.859 -7.747 512 H GLU 59 H GLU 59 -5.682 -5.334 -6.301 513 HA GLU 59 HA GLU 59 -3.317 -6.198 -7.524 514 HB2 GLU 59 2HB GLU 59 -4.216 -3.331 -7.249 515 HB3 GLU 59 1HB GLU 59 -3.216 -4.007 -8.521 516 HG2 GLU 59 2HG GLU 59 -5.126 -5.285 -9.336 517 HG3 GLU 59 1HG GLU 59 -6.125 -4.616 -8.044 518 H VAL 60 H VAL 60 -3.913 -3.720 -5.133 519 HA VAL 60 HA VAL 60 -1.210 -2.886 -4.817 520 HB VAL 60 HB VAL 60 -3.522 -2.454 -2.916 521 HG11 VAL 60 1HG1 VAL 60 -1.375 -1.873 -1.957 522 HG12 VAL 60 2HG1 VAL 60 -2.331 -0.424 -2.254 523 HG13 VAL 60 3HG1 VAL 60 -1.009 -0.847 -3.345 524 HG21 VAL 60 3HG2 VAL 60 -4.158 -1.769 -5.168 525 HG22 VAL 60 1HG2 VAL 60 -2.710 -0.771 -5.285 526 HG23 VAL 60 2HG2 VAL 60 -3.976 -0.373 -4.111 527 H LYS 61 H LYS 61 -3.403 -4.878 -2.915 528 HA LYS 61 HA LYS 61 -1.616 -5.342 -0.786 529 HB2 LYS 61 2HB LYS 61 -3.913 -7.074 -1.689 530 HB3 LYS 61 1HB LYS 61 -3.106 -7.170 -0.129 531 HG2 LYS 61 2HG LYS 61 -3.755 -4.779 0.216 532 HG3 LYS 61 1HG LYS 61 -4.776 -4.925 -1.203 533 HD2 LYS 61 2HD LYS 61 -5.010 -6.600 1.301 534 HD3 LYS 61 1HD LYS 61 -6.065 -5.267 0.854 535 HE2 LYS 61 2HE LYS 61 -6.797 -6.515 -1.127 536 HE3 LYS 61 1HE LYS 61 -5.725 -7.845 -0.680 537 HZ1 LYS 61 3HZ LYS 61 -7.968 -8.305 0.051 538 HZ2 LYS 61 1HZ LYS 61 -8.020 -6.853 0.914 539 HZ3 LYS 61 2HZ LYS 61 -6.967 -8.085 1.379 540 H ASP 62 H ASP 62 -2.088 -6.917 -3.810 541 HA ASP 62 HA ASP 62 -0.570 -9.248 -3.322 542 HB2 ASP 62 2HB ASP 62 -2.049 -9.127 -5.255 543 HB3 ASP 62 1HB ASP 62 -1.116 -7.792 -5.909 544 H LYS 63 H LYS 63 0.252 -6.098 -4.653 545 HA LYS 63 HA LYS 63 2.962 -6.549 -5.218 546 HB2 LYS 63 2HB LYS 63 1.605 -4.007 -4.310 547 HB3 LYS 63 1HB LYS 63 3.168 -4.100 -5.105 548 HG2 LYS 63 2HG LYS 63 0.544 -4.926 -6.318 549 HG3 LYS 63 1HG LYS 63 1.357 -3.394 -6.607 550 HD2 LYS 63 2HD LYS 63 3.255 -4.576 -7.532 551 HD3 LYS 63 1HD LYS 63 2.455 -6.140 -7.267 552 HE2 LYS 63 2HE LYS 63 0.627 -5.304 -8.767 553 HE3 LYS 63 1HE LYS 63 1.613 -3.886 -9.075 554 HZ1 LYS 63 3HZ LYS 63 1.891 -5.473 -10.809 555 HZ2 LYS 63 1HZ LYS 63 2.350 -6.678 -9.740 556 HZ3 LYS 63 2HZ LYS 63 3.351 -5.347 -9.985 557 H LEU 64 H LEU 64 1.384 -5.097 -2.433 558 HA LEU 64 HA LEU 64 3.556 -4.575 -0.798 559 HB2 LEU 64 2HB LEU 64 0.770 -5.376 0.014 560 HB3 LEU 64 1HB LEU 64 1.948 -4.614 1.054 561 HG LEU 64 HG LEU 64 0.642 -3.370 -1.370 562 HD11 LEU 64 1HD1 LEU 64 0.311 -2.821 1.573 563 HD12 LEU 64 2HD1 LEU 64 -0.873 -3.587 0.515 564 HD13 LEU 64 3HD1 LEU 64 -0.427 -1.898 0.266 565 HD21 LEU 64 3HD2 LEU 64 2.586 -2.210 0.612 566 HD22 LEU 64 1HD2 LEU 64 1.757 -1.304 -0.655 567 HD23 LEU 64 2HD2 LEU 64 2.928 -2.553 -1.087 568 H THR 65 H THR 65 1.459 -7.433 -0.833 569 HA THR 65 HA THR 65 2.667 -8.706 1.302 570 HB THR 65 HB THR 65 1.107 -9.932 -0.985 571 HG1 THR 65 1HG THR 65 -0.141 -8.482 0.065 572 HG21 THR 65 3HG2 THR 65 0.639 -11.777 0.580 573 HG22 THR 65 1HG2 THR 65 1.699 -11.036 1.779 574 HG23 THR 65 2HG2 THR 65 2.369 -11.647 0.266 575 H ARG 66 H ARG 66 3.284 -9.027 -2.196 576 HA ARG 66 HA ARG 66 5.148 -11.112 -1.668 577 HB2 ARG 66 2HB ARG 66 4.393 -9.748 -4.228 578 HB3 ARG 66 1HB ARG 66 5.622 -11.007 -4.136 579 HG2 ARG 66 2HG ARG 66 3.937 -12.528 -3.155 580 HG3 ARG 66 1HG ARG 66 2.722 -11.270 -3.377 581 HD2 ARG 66 2HD ARG 66 4.361 -12.483 -5.588 582 HD3 ARG 66 1HD ARG 66 2.743 -13.003 -5.137 583 HE ARG 66 HE ARG 66 1.957 -10.798 -5.760 584 HH11 ARG 66 1HH1 ARG 66 5.183 -11.662 -6.978 585 HH12 ARG 66 2HH1 ARG 66 5.038 -10.804 -8.412 586 HH21 ARG 66 1HH2 ARG 66 1.766 -9.617 -7.739 587 HH22 ARG 66 2HH2 ARG 66 3.044 -9.619 -8.895 588 H PHE 67 H PHE 67 5.499 -7.762 -1.612 589 HA PHE 67 HA PHE 67 8.301 -7.917 -2.346 590 HB2 PHE 67 2HB PHE 67 6.917 -5.932 -2.976 591 HB3 PHE 67 1HB PHE 67 6.785 -5.536 -1.271 592 HD1 PHE 67 2HD PHE 67 9.195 -5.923 -4.051 593 HD2 PHE 67 1HD PHE 67 8.502 -4.251 -0.184 594 HE1 PHE 67 2HE PHE 67 11.276 -4.621 -4.228 595 HE2 PHE 67 1HE PHE 67 10.573 -2.966 -0.366 596 HZ PHE 67 HZ PHE 67 11.966 -3.145 -2.388 597 H PHE 68 H PHE 68 6.506 -7.015 0.620 598 HA PHE 68 HA PHE 68 9.053 -7.431 2.071 599 HB2 PHE 68 2HB PHE 68 8.291 -5.694 3.668 600 HB3 PHE 68 1HB PHE 68 8.584 -5.099 2.036 601 HD1 PHE 68 2HD PHE 68 5.882 -6.177 4.354 602 HD2 PHE 68 1HD PHE 68 6.907 -3.938 0.889 603 HE1 PHE 68 2HE PHE 68 3.623 -5.240 4.299 604 HE2 PHE 68 1HE PHE 68 4.646 -2.990 0.839 605 HZ PHE 68 HZ PHE 68 3.005 -3.643 2.538 606 H LEU 69 H LEU 69 6.087 -8.845 1.805 607 HA LEU 69 HA LEU 69 5.948 -9.284 4.702 608 HB2 LEU 69 2HB LEU 69 4.069 -8.079 3.646 609 HB3 LEU 69 1HB LEU 69 3.770 -9.500 2.679 610 HG LEU 69 HG LEU 69 3.147 -10.794 4.644 611 HD11 LEU 69 1HD1 LEU 69 4.592 -9.745 6.304 612 HD12 LEU 69 2HD1 LEU 69 2.908 -9.710 6.831 613 HD13 LEU 69 3HD1 LEU 69 3.657 -8.253 6.183 614 HD21 LEU 69 3HD2 LEU 69 1.732 -8.133 4.506 615 HD22 LEU 69 1HD2 LEU 69 1.082 -9.619 5.196 616 HD23 LEU 69 2HD2 LEU 69 1.420 -9.525 3.468 617 H LEU 70 H LEU 70 4.960 -10.945 1.735 618 HA LEU 70 HA LEU 70 4.677 -13.042 1.167 619 HB2 LEU 70 2HB LEU 70 7.172 -13.457 2.829 620 HB3 LEU 70 1HB LEU 70 6.429 -14.748 1.912 621 HG LEU 70 HG LEU 70 8.302 -13.965 0.677 622 HD11 LEU 70 1HD1 LEU 70 5.809 -12.904 -0.607 623 HD12 LEU 70 2HD1 LEU 70 6.420 -14.556 -0.675 624 HD13 LEU 70 3HD1 LEU 70 7.332 -13.249 -1.426 625 HD21 LEU 70 3HD2 LEU 70 8.563 -11.635 -0.091 626 HD22 LEU 70 1HD2 LEU 70 8.612 -11.759 1.668 627 HD23 LEU 70 2HD2 LEU 70 7.156 -11.175 0.867 628 H GLU 71 H GLU 71 2.747 -13.045 2.089 629 HA GLU 71 HA GLU 71 1.003 -13.706 3.279 630 HB2 GLU 71 2HB GLU 71 2.092 -16.001 2.830 631 HB3 GLU 71 1HB GLU 71 2.754 -15.908 4.440 632 HG2 GLU 71 2HG GLU 71 -0.213 -15.850 3.890 633 HG3 GLU 71 1HG GLU 71 0.687 -17.336 4.133 634 H HIS 72 H HIS 72 3.282 -14.736 5.717 635 HA HIS 72 HA HIS 72 3.435 -12.450 7.286 636 HB2 HIS 72 2HB HIS 72 1.449 -14.588 8.198 637 HB3 HIS 72 1HB HIS 72 2.237 -13.507 9.334 638 HD1 HIS 72 1HD HIS 72 -0.573 -13.834 7.061 639 HD2 HIS 72 2HD HIS 72 1.348 -10.724 9.013 640 HE1 HIS 72 1HE HIS 72 -2.181 -11.866 6.988 641 HE2 HIS 72 2HE HIS 72 -1.016 -10.056 8.307 642 H HIS 73 H HIS 73 4.640 -13.222 9.355 643 HA HIS 73 HA HIS 73 5.974 -15.648 8.483 644 HB2 HIS 73 2HB HIS 73 7.184 -13.418 10.150 645 HB3 HIS 73 1HB HIS 73 7.990 -14.941 9.808 646 HD1 HIS 73 1HD HIS 73 9.127 -15.180 7.501 647 HD2 HIS 73 2HD HIS 73 6.793 -11.755 7.842 648 HE1 HIS 73 1HE HIS 73 9.611 -13.846 5.477 649 HE2 HIS 73 2HE HIS 73 7.795 -12.134 5.512 650 H HIS 74 H HIS 74 5.759 -14.146 11.691 651 HA HIS 74 HA HIS 74 5.093 -14.925 13.718 652 HB2 HIS 74 2HB HIS 74 3.583 -17.035 12.150 653 HB3 HIS 74 1HB HIS 74 3.439 -16.801 13.879 654 HD1 HIS 74 1HD HIS 74 1.596 -16.196 11.033 655 HD2 HIS 74 2HD HIS 74 2.665 -13.804 14.253 656 HE1 HIS 74 1HE HIS 74 -0.056 -14.298 11.050 657 HE2 HIS 74 2HE HIS 74 0.855 -12.730 12.780 658 H HIS 75 H HIS 75 5.710 -17.755 11.745 659 HA HIS 75 HA HIS 75 6.833 -19.236 13.976 660 HB2 HIS 75 2HB HIS 75 6.464 -19.968 11.071 661 HB3 HIS 75 1HB HIS 75 7.073 -21.058 12.305 662 HD1 HIS 75 1HD HIS 75 3.999 -20.009 10.686 663 HD2 HIS 75 2HD HIS 75 5.064 -21.553 14.401 664 HE1 HIS 75 1HE HIS 75 1.882 -20.870 11.709 665 HE2 HIS 75 2HE HIS 75 2.535 -21.614 14.010 666 H HIS 76 H HIS 76 7.995 -17.132 11.638 667 HA HIS 76 HA HIS 76 10.715 -18.135 12.024 668 HB2 HIS 76 2HB HIS 76 9.777 -18.836 9.771 669 HB3 HIS 76 1HB HIS 76 9.618 -17.130 9.383 670 HD1 HIS 76 1HD HIS 76 12.020 -15.749 9.266 671 HD2 HIS 76 2HD HIS 76 12.213 -19.915 9.269 672 HE1 HIS 76 1HE HIS 76 14.300 -16.321 8.486 673 HE2 HIS 76 2HE HIS 76 14.475 -18.805 8.803 674 H HIS 77 H HIS 77 12.181 -16.465 12.196 675 HA HIS 77 HA HIS 77 11.055 -13.765 12.143 676 HB2 HIS 77 2HB HIS 77 13.656 -14.750 13.375 677 HB3 HIS 77 1HB HIS 77 13.087 -13.090 13.419 678 HD1 HIS 77 1HD HIS 77 11.094 -12.578 15.042 679 HD2 HIS 77 2HD HIS 77 12.533 -16.467 15.231 680 HE1 HIS 77 1HE HIS 77 10.142 -13.543 17.133 681 HE2 HIS 77 2HE HIS 77 11.373 -15.701 17.383 Start of MODEL 18 1 H1 MET 1 1HT MET 1 -1.699 19.865 -14.160 2 H2 MET 1 2HT MET 1 -0.572 20.719 -13.273 3 H3 MET 1 3HT MET 1 -1.292 21.448 -14.621 4 HA MET 1 HA MET 1 -2.170 22.260 -12.522 5 HB2 MET 1 2HB MET 1 -3.641 22.148 -14.530 6 HB3 MET 1 1HB MET 1 -4.119 20.519 -14.077 7 HG2 MET 1 2HG MET 1 -5.145 21.394 -12.045 8 HG3 MET 1 1HG MET 1 -4.657 23.025 -12.498 9 HE1 MET 1 2HE MET 1 -8.555 23.046 -12.982 10 HE2 MET 1 3HE MET 1 -7.187 23.831 -12.193 11 HE3 MET 1 1HE MET 1 -7.642 22.186 -11.746 12 H LEU 2 H LEU 2 -2.042 21.688 -10.464 13 HA LEU 2 HA LEU 2 -2.022 20.560 -8.558 14 HB2 LEU 2 2HB LEU 2 -4.086 18.851 -9.935 15 HB3 LEU 2 1HB LEU 2 -3.500 18.435 -8.347 16 HG LEU 2 HG LEU 2 -4.326 20.697 -7.566 17 HD11 LEU 2 1HD1 LEU 2 -4.468 21.797 -9.742 18 HD12 LEU 2 2HD1 LEU 2 -5.996 21.835 -8.862 19 HD13 LEU 2 3HD1 LEU 2 -5.777 20.702 -10.195 20 HD21 LEU 2 3HD2 LEU 2 -6.335 18.754 -8.662 21 HD22 LEU 2 1HD2 LEU 2 -6.647 19.970 -7.424 22 HD23 LEU 2 2HD2 LEU 2 -5.521 18.653 -7.099 23 H LYS 3 H LYS 3 -1.542 18.374 -7.517 24 HA LYS 3 HA LYS 3 0.815 17.372 -8.839 25 HB2 LYS 3 2HB LYS 3 -0.412 16.702 -6.165 26 HB3 LYS 3 1HB LYS 3 1.063 15.972 -6.774 27 HG2 LYS 3 2HG LYS 3 2.088 18.223 -6.847 28 HG3 LYS 3 1HG LYS 3 0.618 18.878 -6.120 29 HD2 LYS 3 2HD LYS 3 0.930 17.538 -4.147 30 HD3 LYS 3 1HD LYS 3 2.295 16.699 -4.882 31 HE2 LYS 3 2HE LYS 3 3.546 18.808 -4.941 32 HE3 LYS 3 1HE LYS 3 2.179 19.634 -4.188 33 HZ1 LYS 3 3HZ LYS 3 3.928 18.997 -2.578 34 HZ2 LYS 3 1HZ LYS 3 3.666 17.380 -2.960 35 HZ3 LYS 3 2HZ LYS 3 2.452 18.292 -2.226 36 H HIS 4 H HIS 4 -2.392 16.244 -7.989 37 HA HIS 4 HA HIS 4 -3.649 14.470 -8.641 38 HB2 HIS 4 2HB HIS 4 -1.394 13.872 -10.589 39 HB3 HIS 4 1HB HIS 4 -2.882 12.955 -10.512 40 HD1 HIS 4 1HD HIS 4 -1.328 15.565 -12.320 41 HD2 HIS 4 2HD HIS 4 -5.202 14.756 -11.113 42 HE1 HIS 4 1HE HIS 4 -2.792 16.928 -13.825 43 HE2 HIS 4 2HE HIS 4 -5.025 15.919 -13.394 44 H GLY 5 H GLY 5 -1.474 14.415 -6.590 45 HA2 GLY 5 2HA GLY 5 -1.633 11.597 -6.096 46 HA3 GLY 5 1HA GLY 5 -0.012 12.187 -6.432 47 H LYS 6 H LYS 6 -1.547 11.140 -4.061 48 HA LYS 6 HA LYS 6 -0.628 13.180 -2.125 49 HB2 LYS 6 2HB LYS 6 -2.878 11.180 -1.827 50 HB3 LYS 6 1HB LYS 6 -2.324 12.304 -0.602 51 HG2 LYS 6 2HG LYS 6 -3.094 14.176 -1.913 52 HG3 LYS 6 1HG LYS 6 -3.555 13.096 -3.231 53 HD2 LYS 6 2HD LYS 6 -5.508 13.731 -1.895 54 HD3 LYS 6 1HD LYS 6 -5.191 12.004 -1.772 55 HE2 LYS 6 2HE LYS 6 -5.762 12.957 0.405 56 HE3 LYS 6 1HE LYS 6 -4.113 12.345 0.408 57 HZ1 LYS 6 3HZ LYS 6 -3.350 14.655 0.050 58 HZ2 LYS 6 1HZ LYS 6 -4.215 14.479 1.483 59 HZ3 LYS 6 2HZ LYS 6 -4.945 15.184 0.144 60 H TYR 7 H TYR 7 0.857 12.365 -0.679 61 HA TYR 7 HA TYR 7 1.385 9.505 -0.882 62 HB2 TYR 7 2HB TYR 7 3.040 11.747 0.288 63 HB3 TYR 7 1HB TYR 7 3.467 10.047 0.433 64 HD1 TYR 7 2HD TYR 7 4.073 8.760 -1.576 65 HD2 TYR 7 1HD TYR 7 3.393 12.947 -1.740 66 HE1 TYR 7 2HE TYR 7 5.218 8.850 -3.741 67 HE2 TYR 7 1HE TYR 7 4.538 13.048 -3.910 68 HH TYR 7 HH TYR 7 6.176 11.768 -5.173 69 H VAL 8 H VAL 8 0.453 8.265 0.499 70 HA VAL 8 HA VAL 8 0.151 9.222 3.235 71 HB VAL 8 HB VAL 8 -1.968 8.008 3.474 72 HG11 VAL 8 1HG1 VAL 8 -2.127 10.336 2.836 73 HG12 VAL 8 2HG1 VAL 8 -3.443 9.406 2.120 74 HG13 VAL 8 3HG1 VAL 8 -2.067 9.890 1.129 75 HG21 VAL 8 3HG2 VAL 8 -1.724 7.394 0.531 76 HG22 VAL 8 1HG2 VAL 8 -3.141 7.058 1.527 77 HG23 VAL 8 2HG2 VAL 8 -1.618 6.235 1.857 78 H TYR 9 H TYR 9 -0.481 7.025 4.546 79 HA TYR 9 HA TYR 9 1.511 5.084 3.647 80 HB2 TYR 9 2HB TYR 9 1.127 6.145 6.443 81 HB3 TYR 9 1HB TYR 9 2.130 4.764 6.031 82 HD1 TYR 9 2HD TYR 9 4.245 5.083 4.826 83 HD2 TYR 9 1HD TYR 9 1.847 8.400 5.961 84 HE1 TYR 9 2HE TYR 9 6.149 6.592 4.439 85 HE2 TYR 9 1HE TYR 9 3.732 9.911 5.584 86 HH TYR 9 HH TYR 9 6.303 9.690 5.574 87 H ILE 10 H ILE 10 0.943 3.031 3.830 88 HA ILE 10 HA ILE 10 -1.768 2.508 4.740 89 HB ILE 10 HB ILE 10 0.208 0.566 3.504 90 HG12 ILE 10 2HG1 ILE 10 -0.313 2.237 1.865 91 HG13 ILE 10 1HG1 ILE 10 -1.211 0.783 1.453 92 HG21 ILE 10 1HG2 ILE 10 -1.445 -0.604 4.823 93 HG22 ILE 10 2HG2 ILE 10 -1.717 -0.895 3.103 94 HG23 ILE 10 3HG2 ILE 10 -2.747 0.235 3.978 95 HD11 ILE 10 3HD1 ILE 10 -3.186 1.830 2.607 96 HD12 ILE 10 1HD1 ILE 10 -2.663 2.644 1.120 97 HD13 ILE 10 2HD1 ILE 10 -2.235 3.308 2.689 98 H ASP 11 H ASP 11 -2.299 1.487 6.526 99 HA ASP 11 HA ASP 11 -0.336 1.325 8.580 100 HB2 ASP 11 2HB ASP 11 -2.519 2.189 9.169 101 HB3 ASP 11 1HB ASP 11 -3.306 0.728 8.594 102 H LEU 12 H LEU 12 0.988 -0.219 7.641 103 HA LEU 12 HA LEU 12 0.285 -2.970 7.415 104 HB2 LEU 12 2HB LEU 12 2.986 -1.817 8.122 105 HB3 LEU 12 1HB LEU 12 2.677 -3.407 7.463 106 HG LEU 12 HG LEU 12 2.326 -0.785 6.013 107 HD11 LEU 12 1HD1 LEU 12 4.235 -1.541 4.688 108 HD12 LEU 12 2HD1 LEU 12 4.373 -2.973 5.708 109 HD13 LEU 12 3HD1 LEU 12 4.658 -1.378 6.393 110 HD21 LEU 12 3HD2 LEU 12 1.973 -3.627 5.029 111 HD22 LEU 12 1HD2 LEU 12 1.915 -2.189 4.008 112 HD23 LEU 12 2HD2 LEU 12 0.688 -2.441 5.246 113 H ASN 13 H ASN 13 1.341 -0.856 9.894 114 HA ASN 13 HA ASN 13 0.878 -0.744 12.081 115 HB2 ASN 13 2HB ASN 13 -1.256 -1.881 11.360 116 HB3 ASN 13 1HB ASN 13 -0.530 -3.400 11.864 117 HD21 ASN 13 1HD2 ASN 13 -1.790 -0.354 12.860 118 HD22 ASN 13 2HD2 ASN 13 -2.018 -0.749 14.532 119 H ASN 14 H ASN 14 2.647 -3.259 10.808 120 HA ASN 14 HA ASN 14 3.506 -4.429 13.307 121 HB2 ASN 14 2HB ASN 14 5.015 -5.837 11.905 122 HB3 ASN 14 1HB ASN 14 3.329 -5.927 11.422 123 HD21 ASN 14 1HD2 ASN 14 2.728 -5.198 9.390 124 HD22 ASN 14 2HD2 ASN 14 3.888 -4.746 8.206 125 H GLY 15 H GLY 15 4.067 -1.595 12.588 126 HA2 GLY 15 2HA GLY 15 5.739 -0.341 13.791 127 HA3 GLY 15 1HA GLY 15 6.863 -1.653 13.486 128 H LYS 16 H LYS 16 5.713 -1.581 10.639 129 HA LYS 16 HA LYS 16 7.046 0.854 9.777 130 HB2 LYS 16 2HB LYS 16 7.848 -0.372 7.738 131 HB3 LYS 16 1HB LYS 16 8.614 -0.884 9.225 132 HG2 LYS 16 2HG LYS 16 7.175 -2.863 9.275 133 HG3 LYS 16 1HG LYS 16 6.427 -2.341 7.764 134 HD2 LYS 16 2HD LYS 16 8.517 -2.531 6.589 135 HD3 LYS 16 1HD LYS 16 9.385 -2.844 8.088 136 HE2 LYS 16 2HE LYS 16 7.271 -4.623 6.874 137 HE3 LYS 16 1HE LYS 16 9.010 -4.887 6.771 138 HZ1 LYS 16 3HZ LYS 16 8.096 -6.241 8.544 139 HZ2 LYS 16 1HZ LYS 16 7.367 -4.911 9.261 140 HZ3 LYS 16 2HZ LYS 16 9.032 -5.041 9.238 141 H TYR 17 H TYR 17 6.313 1.647 7.752 142 HA TYR 17 HA TYR 17 3.577 0.823 7.092 143 HB2 TYR 17 2HB TYR 17 4.552 3.607 7.786 144 HB3 TYR 17 1HB TYR 17 3.130 3.328 6.791 145 HD1 TYR 17 2HD TYR 17 4.472 2.070 10.054 146 HD2 TYR 17 1HD TYR 17 1.113 3.483 7.888 147 HE1 TYR 17 2HE TYR 17 3.082 1.812 12.056 148 HE2 TYR 17 1HE TYR 17 -0.283 3.227 9.889 149 HH TYR 17 HH TYR 17 -0.277 1.904 11.884 150 H VAL 18 H VAL 18 3.008 1.317 4.920 151 HA VAL 18 HA VAL 18 5.403 1.661 3.300 152 HB VAL 18 HB VAL 18 4.310 -0.439 2.786 153 HG11 VAL 18 1HG1 VAL 18 1.828 1.154 2.284 154 HG12 VAL 18 2HG1 VAL 18 2.128 0.022 3.613 155 HG13 VAL 18 3HG1 VAL 18 2.021 -0.570 1.956 156 HG21 VAL 18 3HG2 VAL 18 3.814 -0.198 0.399 157 HG22 VAL 18 1HG2 VAL 18 5.252 0.710 0.866 158 HG23 VAL 18 2HG2 VAL 18 3.730 1.555 0.604 159 H LYS 19 H LYS 19 5.651 3.239 1.908 160 HA LYS 19 HA LYS 19 3.859 5.499 2.144 161 HB2 LYS 19 2HB LYS 19 6.301 5.775 2.369 162 HB3 LYS 19 1HB LYS 19 6.521 5.178 0.734 163 HG2 LYS 19 2HG LYS 19 5.264 7.117 -0.119 164 HG3 LYS 19 1HG LYS 19 5.092 7.714 1.534 165 HD2 LYS 19 2HD LYS 19 7.526 7.832 1.742 166 HD3 LYS 19 1HD LYS 19 7.695 7.235 0.091 167 HE2 LYS 19 2HE LYS 19 6.466 9.227 -0.710 168 HE3 LYS 19 1HE LYS 19 6.393 9.818 0.945 169 HZ1 LYS 19 3HZ LYS 19 8.216 10.834 -0.263 170 HZ2 LYS 19 1HZ LYS 19 8.874 9.314 -0.591 171 HZ3 LYS 19 2HZ LYS 19 8.805 9.876 0.993 172 H VAL 20 H VAL 20 2.186 5.502 0.801 173 HA VAL 20 HA VAL 20 2.609 4.492 -1.913 174 HB VAL 20 HB VAL 20 1.174 2.995 -0.566 175 HG11 VAL 20 1HG1 VAL 20 -0.674 5.338 -0.330 176 HG12 VAL 20 2HG1 VAL 20 0.215 4.553 0.974 177 HG13 VAL 20 3HG1 VAL 20 -1.067 3.682 0.129 178 HG21 VAL 20 3HG2 VAL 20 -0.777 2.876 -2.109 179 HG22 VAL 20 1HG2 VAL 20 0.774 3.016 -2.938 180 HG23 VAL 20 2HG2 VAL 20 -0.275 4.425 -2.792 181 H ARG 21 H ARG 21 1.972 5.753 -3.544 182 HA ARG 21 HA ARG 21 0.932 8.392 -2.880 183 HB2 ARG 21 2HB ARG 21 2.954 8.178 -4.390 184 HB3 ARG 21 1HB ARG 21 1.914 7.410 -5.576 185 HG2 ARG 21 2HG ARG 21 0.521 9.464 -5.622 186 HG3 ARG 21 1HG ARG 21 1.671 10.233 -4.529 187 HD2 ARG 21 2HD ARG 21 3.450 9.697 -6.249 188 HD3 ARG 21 1HD ARG 21 2.149 9.257 -7.350 189 HE ARG 21 HE ARG 21 2.743 11.940 -6.306 190 HH11 ARG 21 1HH1 ARG 21 0.837 10.004 -8.591 191 HH12 ARG 21 2HH1 ARG 21 0.509 11.300 -9.636 192 HH21 ARG 21 1HH2 ARG 21 2.319 13.679 -7.740 193 HH22 ARG 21 2HH2 ARG 21 1.369 13.497 -9.127 194 H ILE 22 H ILE 22 -1.098 8.654 -3.018 195 HA ILE 22 HA ILE 22 -2.857 6.825 -4.423 196 HB ILE 22 HB ILE 22 -3.549 9.504 -3.167 197 HG12 ILE 22 2HG1 ILE 22 -2.487 8.127 -1.448 198 HG13 ILE 22 1HG1 ILE 22 -4.206 8.285 -1.127 199 HG21 ILE 22 1HG2 ILE 22 -5.275 7.111 -3.775 200 HG22 ILE 22 2HG2 ILE 22 -5.252 8.637 -4.654 201 HG23 ILE 22 3HG2 ILE 22 -5.812 8.594 -2.982 202 HD11 ILE 22 3HD1 ILE 22 -4.562 6.062 -2.061 203 HD12 ILE 22 1HD1 ILE 22 -3.456 6.031 -0.685 204 HD13 ILE 22 2HD1 ILE 22 -2.824 5.901 -2.328 205 H LEU 23 H LEU 23 -3.188 7.103 -6.561 206 HA LEU 23 HA LEU 23 -2.240 9.576 -7.789 207 HB2 LEU 23 2HB LEU 23 -3.349 7.104 -9.093 208 HB3 LEU 23 1HB LEU 23 -2.377 8.346 -9.849 209 HG LEU 23 HG LEU 23 -1.393 6.364 -7.785 210 HD11 LEU 23 1HD1 LEU 23 -0.106 5.415 -9.648 211 HD12 LEU 23 2HD1 LEU 23 -0.962 6.489 -10.758 212 HD13 LEU 23 3HD1 LEU 23 -1.847 5.256 -9.861 213 HD21 LEU 23 3HD2 LEU 23 -0.181 8.476 -7.668 214 HD22 LEU 23 1HD2 LEU 23 0.118 8.413 -9.403 215 HD23 LEU 23 2HD2 LEU 23 0.837 7.202 -8.341 216 H LYS 24 H LYS 24 -3.792 11.111 -7.845 217 HA LYS 24 HA LYS 24 -6.559 10.204 -7.920 218 HB2 LYS 24 2HB LYS 24 -5.867 11.913 -6.223 219 HB3 LYS 24 1HB LYS 24 -5.539 13.026 -7.545 220 HG2 LYS 24 2HG LYS 24 -7.848 12.989 -8.210 221 HG3 LYS 24 1HG LYS 24 -8.205 11.766 -6.996 222 HD2 LYS 24 2HD LYS 24 -7.507 13.389 -5.243 223 HD3 LYS 24 1HD LYS 24 -7.341 14.607 -6.515 224 HE2 LYS 24 2HE LYS 24 -9.508 14.807 -5.418 225 HE3 LYS 24 1HE LYS 24 -9.698 14.313 -7.100 226 HZ1 LYS 24 3HZ LYS 24 -11.137 13.007 -5.654 227 HZ2 LYS 24 1HZ LYS 24 -9.814 12.528 -4.739 228 HZ3 LYS 24 2HZ LYS 24 -9.971 11.994 -6.315 229 H SER 25 H SER 25 -7.244 9.793 -9.850 230 HA SER 25 HA SER 25 -6.212 11.332 -12.066 231 HB2 SER 25 2HB SER 25 -7.925 8.864 -12.059 232 HB3 SER 25 1HB SER 25 -7.045 9.544 -13.430 233 HG SER 25 HG SER 25 -5.585 9.028 -11.148 234 H ARG 26 H ARG 26 -7.374 13.208 -11.597 235 HA ARG 26 HA ARG 26 -10.258 13.272 -11.716 236 HB2 ARG 26 2HB ARG 26 -8.190 15.462 -11.826 237 HB3 ARG 26 1HB ARG 26 -9.922 15.746 -11.867 238 HG2 ARG 26 2HG ARG 26 -10.152 14.765 -9.666 239 HG3 ARG 26 1HG ARG 26 -8.420 14.424 -9.632 240 HD2 ARG 26 2HD ARG 26 -9.018 16.455 -8.382 241 HD3 ARG 26 1HD ARG 26 -7.902 16.777 -9.710 242 HE ARG 26 HE ARG 26 -10.347 17.215 -10.787 243 HH11 ARG 26 1HH1 ARG 26 -8.812 18.412 -7.832 244 HH12 ARG 26 2HH1 ARG 26 -9.521 19.956 -7.905 245 HH21 ARG 26 1HH2 ARG 26 -11.358 19.310 -10.899 246 HH22 ARG 26 2HH2 ARG 26 -11.061 20.481 -9.707 247 H ASP 27 H ASP 27 -7.573 13.824 -13.849 248 HA ASP 27 HA ASP 27 -8.836 14.934 -16.063 249 HB2 ASP 27 2HB ASP 27 -6.446 13.094 -15.861 250 HB3 ASP 27 1HB ASP 27 -6.915 13.941 -17.330 251 H ASP 28 H ASP 28 -8.288 11.622 -15.133 252 HA ASP 28 HA ASP 28 -9.534 10.305 -17.273 253 HB2 ASP 28 2HB ASP 28 -9.310 9.457 -14.365 254 HB3 ASP 28 1HB ASP 28 -9.681 8.393 -15.711 255 H ASN 29 H ASN 29 -10.668 10.963 -13.993 256 HA ASN 29 HA ASN 29 -13.156 12.044 -14.674 257 HB2 ASN 29 2HB ASN 29 -13.747 9.701 -15.301 258 HB3 ASN 29 1HB ASN 29 -13.298 9.163 -13.693 259 HD21 ASN 29 1HD2 ASN 29 -15.113 12.087 -14.581 260 HD22 ASN 29 2HD2 ASN 29 -16.551 11.646 -13.766 261 H SER 30 H SER 30 -12.435 9.679 -12.197 262 HA SER 30 HA SER 30 -11.523 11.383 -10.211 263 HB2 SER 30 2HB SER 30 -13.928 12.151 -10.222 264 HB3 SER 30 1HB SER 30 -14.434 10.484 -9.979 265 HG SER 30 HG SER 30 -14.090 10.680 -8.003 266 H VAL 31 H VAL 31 -10.213 9.514 -10.826 267 HA VAL 31 HA VAL 31 -11.086 7.077 -9.434 268 HB VAL 31 HB VAL 31 -9.321 7.133 -11.896 269 HG11 VAL 31 1HG1 VAL 31 -9.667 4.698 -11.918 270 HG12 VAL 31 2HG1 VAL 31 -10.585 4.829 -10.419 271 HG13 VAL 31 3HG1 VAL 31 -8.874 5.255 -10.444 272 HG21 VAL 31 3HG2 VAL 31 -11.594 7.788 -12.514 273 HG22 VAL 31 1HG2 VAL 31 -12.238 6.352 -11.724 274 HG23 VAL 31 2HG2 VAL 31 -11.208 6.191 -13.149 275 H GLU 32 H GLU 32 -9.930 7.225 -7.613 276 HA GLU 32 HA GLU 32 -7.234 8.042 -7.659 277 HB2 GLU 32 2HB GLU 32 -9.020 6.935 -5.522 278 HB3 GLU 32 1HB GLU 32 -7.315 7.259 -5.256 279 HG2 GLU 32 2HG GLU 32 -8.470 9.172 -4.480 280 HG3 GLU 32 1HG GLU 32 -7.702 9.544 -6.011 281 H LYS 33 H LYS 33 -5.924 6.771 -8.698 282 HA LYS 33 HA LYS 33 -6.112 3.860 -8.535 283 HB2 LYS 33 2HB LYS 33 -3.953 5.453 -9.969 284 HB3 LYS 33 1HB LYS 33 -4.369 3.775 -10.201 285 HG2 LYS 33 2HG LYS 33 -6.577 4.572 -11.153 286 HG3 LYS 33 1HG LYS 33 -5.900 6.205 -11.121 287 HD2 LYS 33 2HD LYS 33 -3.969 5.356 -12.475 288 HD3 LYS 33 1HD LYS 33 -4.792 3.809 -12.602 289 HE2 LYS 33 2HE LYS 33 -5.312 4.875 -14.617 290 HE3 LYS 33 1HE LYS 33 -6.736 5.161 -13.625 291 HZ1 LYS 33 3HZ LYS 33 -5.725 7.422 -13.102 292 HZ2 LYS 33 1HZ LYS 33 -6.122 7.205 -14.740 293 HZ3 LYS 33 2HZ LYS 33 -4.548 7.060 -14.226 294 H TYR 34 H TYR 34 -3.920 2.729 -8.051 295 HA TYR 34 HA TYR 34 -2.596 4.256 -5.948 296 HB2 TYR 34 2HB TYR 34 -3.061 1.261 -6.067 297 HB3 TYR 34 1HB TYR 34 -2.148 2.097 -4.812 298 HD1 TYR 34 2HD TYR 34 -3.390 3.918 -3.483 299 HD2 TYR 34 1HD TYR 34 -5.393 0.974 -5.806 300 HE1 TYR 34 2HE TYR 34 -5.460 4.344 -2.227 301 HE2 TYR 34 1HE TYR 34 -7.467 1.396 -4.555 302 HH TYR 34 HH TYR 34 -8.097 2.279 -2.332 303 H VAL 35 H VAL 35 -0.400 4.219 -5.844 304 HA VAL 35 HA VAL 35 0.976 3.872 -8.292 305 HB VAL 35 HB VAL 35 1.511 5.500 -6.420 306 HG11 VAL 35 1HG1 VAL 35 3.098 4.796 -4.692 307 HG12 VAL 35 2HG1 VAL 35 2.821 3.118 -5.173 308 HG13 VAL 35 3HG1 VAL 35 1.491 4.086 -4.536 309 HG21 VAL 35 3HG2 VAL 35 3.020 5.289 -8.301 310 HG22 VAL 35 1HG2 VAL 35 3.809 3.908 -7.540 311 HG23 VAL 35 2HG2 VAL 35 3.941 5.511 -6.816 312 H LEU 36 H LEU 36 2.845 2.450 -8.658 313 HA LEU 36 HA LEU 36 2.174 -0.238 -7.865 314 HB2 LEU 36 2HB LEU 36 2.598 0.340 -10.217 315 HB3 LEU 36 1HB LEU 36 4.244 0.769 -9.814 316 HG LEU 36 HG LEU 36 4.647 -1.591 -9.152 317 HD11 LEU 36 1HD1 LEU 36 1.910 -2.032 -10.305 318 HD12 LEU 36 2HD1 LEU 36 2.388 -2.259 -8.622 319 HD13 LEU 36 3HD1 LEU 36 3.059 -3.297 -9.877 320 HD21 LEU 36 3HD2 LEU 36 3.664 -1.188 -11.966 321 HD22 LEU 36 1HD2 LEU 36 4.758 -2.457 -11.422 322 HD23 LEU 36 2HD2 LEU 36 5.271 -0.771 -11.362 323 H THR 37 H THR 37 4.167 2.034 -6.511 324 HA THR 37 HA THR 37 6.268 0.120 -5.913 325 HB THR 37 HB THR 37 6.979 2.419 -6.496 326 HG1 THR 37 1HG THR 37 8.394 1.313 -5.215 327 HG21 THR 37 3HG2 THR 37 6.661 4.257 -4.888 328 HG22 THR 37 1HG2 THR 37 5.641 3.213 -3.900 329 HG23 THR 37 2HG2 THR 37 5.116 3.687 -5.517 330 H SER 38 H SER 38 6.860 -0.416 -3.801 331 HA SER 38 HA SER 38 4.743 -0.116 -1.807 332 HB2 SER 38 2HB SER 38 6.304 -2.624 -2.449 333 HB3 SER 38 1HB SER 38 5.010 -2.467 -1.258 334 HG SER 38 HG SER 38 3.909 -1.588 -3.359 335 H HIS 39 H HIS 39 7.377 1.223 -2.278 336 HA HIS 39 HA HIS 39 9.248 0.216 -0.456 337 HB2 HIS 39 2HB HIS 39 10.327 2.490 -0.441 338 HB3 HIS 39 1HB HIS 39 10.147 1.777 -2.040 339 HD1 HIS 39 1HD HIS 39 9.185 3.358 -3.754 340 HD2 HIS 39 2HD HIS 39 8.389 4.573 0.132 341 HE1 HIS 39 1HE HIS 39 8.285 5.659 -3.954 342 HE2 HIS 39 2HE HIS 39 8.195 6.489 -1.625 343 H VAL 40 H VAL 40 9.543 0.262 1.576 344 HA VAL 40 HA VAL 40 7.369 1.364 3.129 345 HB VAL 40 HB VAL 40 8.299 -0.166 4.996 346 HG11 VAL 40 1HG1 VAL 40 7.109 -2.097 4.036 347 HG12 VAL 40 2HG1 VAL 40 7.147 -1.317 2.452 348 HG13 VAL 40 3HG1 VAL 40 6.235 -0.588 3.772 349 HG21 VAL 40 3HG2 VAL 40 9.588 -1.473 2.599 350 HG22 VAL 40 1HG2 VAL 40 9.578 -2.085 4.245 351 HG23 VAL 40 2HG2 VAL 40 10.482 -0.614 3.855 352 H SER 41 H SER 41 7.529 2.410 4.973 353 HA SER 41 HA SER 41 9.917 4.024 5.396 354 HB2 SER 41 2HB SER 41 7.837 5.246 4.864 355 HB3 SER 41 1HB SER 41 6.995 4.412 6.164 356 HG SER 41 HG SER 41 7.737 5.844 7.492 357 H LYS 42 H LYS 42 10.900 3.875 7.337 358 HA LYS 42 HA LYS 42 10.186 1.682 9.093 359 HB2 LYS 42 2HB LYS 42 12.429 3.697 9.281 360 HB3 LYS 42 1HB LYS 42 12.283 2.218 10.221 361 HG2 LYS 42 2HG LYS 42 12.513 0.894 8.205 362 HG3 LYS 42 1HG LYS 42 12.589 2.366 7.238 363 HD2 LYS 42 2HD LYS 42 14.628 3.025 8.412 364 HD3 LYS 42 1HD LYS 42 14.566 1.548 9.366 365 HE2 LYS 42 2HE LYS 42 16.122 1.285 7.534 366 HE3 LYS 42 1HE LYS 42 14.730 0.230 7.302 367 HZ1 LYS 42 3HZ LYS 42 15.389 1.371 5.263 368 HZ2 LYS 42 1HZ LYS 42 15.117 2.859 5.989 369 HZ3 LYS 42 2HZ LYS 42 13.828 1.819 5.713 370 H ASN 43 H ASN 43 9.904 5.072 8.913 371 HA ASN 43 HA ASN 43 9.289 5.325 11.746 372 HB2 ASN 43 2HB ASN 43 9.543 7.438 9.591 373 HB3 ASN 43 1HB ASN 43 9.132 7.767 11.268 374 HD21 ASN 43 1HD2 ASN 43 11.641 6.846 9.078 375 HD22 ASN 43 2HD2 ASN 43 12.960 7.029 10.174 376 H ARG 44 H ARG 44 7.330 5.595 12.520 377 HA ARG 44 HA ARG 44 5.113 5.155 10.739 378 HB2 ARG 44 2HB ARG 44 5.218 5.411 13.755 379 HB3 ARG 44 1HB ARG 44 3.813 4.937 12.815 380 HG2 ARG 44 2HG ARG 44 4.967 2.944 12.042 381 HG3 ARG 44 1HG ARG 44 6.407 3.419 12.937 382 HD2 ARG 44 2HD ARG 44 3.711 2.858 14.163 383 HD3 ARG 44 1HD ARG 44 5.060 1.723 14.120 384 HE ARG 44 HE ARG 44 5.814 4.193 15.247 385 HH11 ARG 44 1HH1 ARG 44 4.066 1.169 16.055 386 HH12 ARG 44 2HH1 ARG 44 4.444 1.288 17.706 387 HH21 ARG 44 1HH2 ARG 44 6.281 4.267 17.552 388 HH22 ARG 44 2HH2 ARG 44 5.718 3.011 18.549 389 HA PRO 45 HA PRO 45 4.264 9.493 10.754 390 HB2 PRO 45 2HB PRO 45 2.135 9.505 9.186 391 HB3 PRO 45 1HB PRO 45 3.740 9.102 8.558 392 HG2 PRO 45 2HG PRO 45 1.442 7.314 9.176 393 HG3 PRO 45 1HG PRO 45 2.681 7.183 7.914 394 HD2 PRO 45 2HD PRO 45 2.662 5.807 10.370 395 HD3 PRO 45 1HD PRO 45 4.027 5.955 9.244 396 H LYS 46 H LYS 46 3.377 10.672 12.220 397 HA LYS 46 HA LYS 46 0.834 9.937 13.482 398 HB2 LYS 46 2HB LYS 46 2.878 10.429 14.867 399 HB3 LYS 46 1HB LYS 46 2.909 12.046 14.207 400 HG2 LYS 46 2HG LYS 46 0.613 10.999 15.855 401 HG3 LYS 46 1HG LYS 46 2.027 11.752 16.577 402 HD2 LYS 46 2HD LYS 46 1.523 13.797 15.196 403 HD3 LYS 46 1HD LYS 46 0.030 13.010 14.688 404 HE2 LYS 46 2HE LYS 46 0.808 13.673 17.528 405 HE3 LYS 46 1HE LYS 46 -0.354 14.560 16.547 406 HZ1 LYS 46 3HZ LYS 46 -1.805 12.671 16.543 407 HZ2 LYS 46 1HZ LYS 46 -1.349 12.986 18.133 408 HZ3 LYS 46 2HZ LYS 46 -0.649 11.709 17.334 409 H ASN 47 H ASN 47 2.371 12.138 11.339 410 HA ASN 47 HA ASN 47 0.189 14.088 11.383 411 HB2 ASN 47 2HB ASN 47 1.776 15.528 10.165 412 HB3 ASN 47 1HB ASN 47 2.397 15.004 11.726 413 HD21 ASN 47 1HD2 ASN 47 3.773 15.910 9.247 414 HD22 ASN 47 2HD2 ASN 47 4.894 14.655 8.879 415 H ALA 48 H ALA 48 0.364 11.357 9.837 416 HA ALA 48 HA ALA 48 -0.393 12.567 7.283 417 HB1 ALA 48 1HB ALA 48 1.892 11.613 7.070 418 HB2 ALA 48 2HB ALA 48 0.707 10.850 6.013 419 HB3 ALA 48 3HB ALA 48 1.223 10.028 7.480 420 H ILE 49 H ILE 49 -1.643 11.023 5.924 421 HA ILE 49 HA ILE 49 -3.688 9.830 7.575 422 HB ILE 49 HB ILE 49 -3.490 10.067 4.553 423 HG12 ILE 49 2HG1 ILE 49 -3.668 12.263 5.583 424 HG13 ILE 49 1HG1 ILE 49 -5.173 11.865 4.775 425 HG21 ILE 49 1HG2 ILE 49 -5.865 9.260 6.225 426 HG22 ILE 49 2HG2 ILE 49 -4.934 8.208 5.162 427 HG23 ILE 49 3HG2 ILE 49 -5.883 9.530 4.482 428 HD11 ILE 49 3HD1 ILE 49 -4.650 11.727 7.743 429 HD12 ILE 49 1HD1 ILE 49 -6.162 11.274 6.950 430 HD13 ILE 49 2HD1 ILE 49 -5.600 12.942 6.891 431 H VAL 50 H VAL 50 -3.970 7.726 7.918 432 HA VAL 50 HA VAL 50 -2.255 5.892 6.441 433 HB VAL 50 HB VAL 50 -2.235 4.393 8.395 434 HG11 VAL 50 1HG1 VAL 50 -1.324 7.185 9.035 435 HG12 VAL 50 2HG1 VAL 50 -0.406 5.952 8.172 436 HG13 VAL 50 3HG1 VAL 50 -0.796 5.734 9.882 437 HG21 VAL 50 3HG2 VAL 50 -3.049 5.127 10.589 438 HG22 VAL 50 1HG2 VAL 50 -4.370 5.033 9.425 439 HG23 VAL 50 2HG2 VAL 50 -3.692 6.602 9.867 440 H ILE 51 H ILE 51 -3.163 4.164 5.534 441 HA ILE 51 HA ILE 51 -6.083 3.918 5.822 442 HB ILE 51 HB ILE 51 -4.392 3.246 3.378 443 HG12 ILE 51 2HG1 ILE 51 -6.370 5.502 3.806 444 HG13 ILE 51 1HG1 ILE 51 -4.625 5.679 3.763 445 HG21 ILE 51 1HG2 ILE 51 -7.391 3.168 3.731 446 HG22 ILE 51 2HG2 ILE 51 -6.329 1.768 3.568 447 HG23 ILE 51 3HG2 ILE 51 -6.527 2.886 2.217 448 HD11 ILE 51 3HD1 ILE 51 -5.630 6.377 1.668 449 HD12 ILE 51 1HD1 ILE 51 -6.373 4.788 1.474 450 HD13 ILE 51 2HD1 ILE 51 -4.618 4.955 1.423 451 H LYS 52 H LYS 52 -6.950 1.886 6.123 452 HA LYS 52 HA LYS 52 -5.324 -0.020 7.468 453 HB2 LYS 52 2HB LYS 52 -7.682 0.587 7.971 454 HB3 LYS 52 1HB LYS 52 -8.170 -0.151 6.465 455 HG2 LYS 52 2HG LYS 52 -7.484 -2.325 7.305 456 HG3 LYS 52 1HG LYS 52 -6.952 -1.579 8.819 457 HD2 LYS 52 2HD LYS 52 -9.245 -0.721 9.167 458 HD3 LYS 52 1HD LYS 52 -9.753 -1.573 7.710 459 HE2 LYS 52 2HE LYS 52 -9.177 -3.699 8.736 460 HE3 LYS 52 1HE LYS 52 -8.579 -2.863 10.166 461 HZ1 LYS 52 3HZ LYS 52 -10.838 -1.990 10.511 462 HZ2 LYS 52 1HZ LYS 52 -10.784 -3.668 10.559 463 HZ3 LYS 52 2HZ LYS 52 -11.387 -2.891 9.201 464 H MET 53 H MET 53 -4.610 -2.057 6.695 465 HA MET 53 HA MET 53 -4.065 -2.386 3.956 466 HB2 MET 53 2HB MET 53 -4.056 -4.483 6.142 467 HB3 MET 53 1HB MET 53 -3.422 -4.720 4.526 468 HG2 MET 53 2HG MET 53 -1.745 -3.021 4.906 469 HG3 MET 53 1HG MET 53 -2.423 -2.681 6.491 470 HE1 MET 53 3HE MET 53 -0.567 -5.351 4.273 471 HE2 MET 53 1HE MET 53 -1.965 -6.268 4.837 472 HE3 MET 53 2HE MET 53 -0.349 -6.682 5.407 473 H ASP 54 H ASP 54 -6.559 -3.621 5.969 474 HA ASP 54 HA ASP 54 -7.771 -5.544 4.319 475 HB2 ASP 54 2HB ASP 54 -8.209 -5.298 6.722 476 HB3 ASP 54 1HB ASP 54 -8.972 -3.747 6.434 477 H ASN 55 H ASN 55 -7.738 -2.140 4.090 478 HA ASN 55 HA ASN 55 -10.249 -1.856 2.665 479 HB2 ASN 55 2HB ASN 55 -9.481 -0.142 4.283 480 HB3 ASN 55 1HB ASN 55 -8.074 0.162 3.279 481 HD21 ASN 55 1HD2 ASN 55 -8.334 1.380 1.370 482 HD22 ASN 55 2HD2 ASN 55 -9.787 2.240 1.044 483 H LEU 56 H LEU 56 -6.943 -2.471 1.909 484 HA LEU 56 HA LEU 56 -7.002 -1.128 -0.607 485 HB2 LEU 56 2HB LEU 56 -4.918 -2.830 0.710 486 HB3 LEU 56 1HB LEU 56 -4.770 -2.424 -0.984 487 HG LEU 56 HG LEU 56 -3.410 -0.936 0.337 488 HD11 LEU 56 1HD1 LEU 56 -5.822 0.545 -0.681 489 HD12 LEU 56 2HD1 LEU 56 -4.461 -0.002 -1.652 490 HD13 LEU 56 3HD1 LEU 56 -4.216 1.218 -0.404 491 HD21 LEU 56 3HD2 LEU 56 -5.950 -0.271 1.790 492 HD22 LEU 56 1HD2 LEU 56 -4.454 0.647 1.920 493 HD23 LEU 56 2HD2 LEU 56 -4.503 -1.030 2.454 494 HA PRO 57 HA PRO 57 -8.742 -4.212 -3.206 495 HB2 PRO 57 2HB PRO 57 -6.831 -3.232 -5.231 496 HB3 PRO 57 1HB PRO 57 -8.588 -3.335 -5.314 497 HG2 PRO 57 2HG PRO 57 -7.421 -0.986 -5.019 498 HG3 PRO 57 1HG PRO 57 -8.882 -1.372 -4.089 499 HD2 PRO 57 2HD PRO 57 -6.022 -1.406 -3.215 500 HD3 PRO 57 1HD PRO 57 -7.462 -0.765 -2.393 501 H ILE 58 H ILE 58 -8.215 -5.985 -4.579 502 HA ILE 58 HA ILE 58 -6.358 -7.603 -3.312 503 HB ILE 58 HB ILE 58 -6.914 -9.356 -5.050 504 HG12 ILE 58 2HG1 ILE 58 -9.065 -8.895 -6.350 505 HG13 ILE 58 1HG1 ILE 58 -8.811 -7.192 -6.021 506 HG21 ILE 58 1HG2 ILE 58 -7.992 -9.267 -2.912 507 HG22 ILE 58 2HG2 ILE 58 -9.152 -9.733 -4.156 508 HG23 ILE 58 3HG2 ILE 58 -9.160 -8.089 -3.514 509 HD11 ILE 58 3HD1 ILE 58 -6.989 -8.985 -7.614 510 HD12 ILE 58 1HD1 ILE 58 -6.723 -7.273 -7.280 511 HD13 ILE 58 2HD1 ILE 58 -8.102 -7.773 -8.258 512 H GLU 59 H GLU 59 -5.887 -5.804 -6.319 513 HA GLU 59 HA GLU 59 -3.526 -7.273 -6.742 514 HB2 GLU 59 2HB GLU 59 -3.149 -5.480 -8.624 515 HB3 GLU 59 1HB GLU 59 -4.359 -6.743 -8.767 516 HG2 GLU 59 2HG GLU 59 -5.169 -4.608 -9.618 517 HG3 GLU 59 1HG GLU 59 -6.124 -5.192 -8.271 518 H VAL 60 H VAL 60 -4.291 -4.288 -5.237 519 HA VAL 60 HA VAL 60 -1.617 -3.411 -4.938 520 HB VAL 60 HB VAL 60 -3.937 -2.890 -3.044 521 HG11 VAL 60 1HG1 VAL 60 -1.349 -1.382 -3.433 522 HG12 VAL 60 2HG1 VAL 60 -1.778 -2.372 -2.036 523 HG13 VAL 60 3HG1 VAL 60 -2.671 -0.890 -2.373 524 HG21 VAL 60 3HG2 VAL 60 -2.984 -1.300 -5.429 525 HG22 VAL 60 1HG2 VAL 60 -4.196 -0.759 -4.266 526 HG23 VAL 60 2HG2 VAL 60 -4.516 -2.163 -5.276 527 H LYS 61 H LYS 61 -3.724 -5.342 -2.816 528 HA LYS 61 HA LYS 61 -1.835 -5.791 -0.779 529 HB2 LYS 61 2HB LYS 61 -4.101 -7.569 -1.664 530 HB3 LYS 61 1HB LYS 61 -3.175 -7.820 -0.193 531 HG2 LYS 61 2HG LYS 61 -3.942 -5.538 0.547 532 HG3 LYS 61 1HG LYS 61 -5.030 -5.540 -0.844 533 HD2 LYS 61 2HD LYS 61 -5.006 -7.616 1.360 534 HD3 LYS 61 1HD LYS 61 -6.147 -6.281 1.237 535 HE2 LYS 61 2HE LYS 61 -7.041 -7.184 -0.823 536 HE3 LYS 61 1HE LYS 61 -5.805 -8.437 -0.852 537 HZ1 LYS 61 3HZ LYS 61 -7.878 -8.174 1.263 538 HZ2 LYS 61 1HZ LYS 61 -6.718 -9.374 1.139 539 HZ3 LYS 61 2HZ LYS 61 -7.919 -9.299 -0.009 540 H ASP 62 H ASP 62 -2.465 -7.528 -3.740 541 HA ASP 62 HA ASP 62 -0.836 -9.747 -3.516 542 HB2 ASP 62 2HB ASP 62 -2.296 -9.495 -5.414 543 HB3 ASP 62 1HB ASP 62 -1.497 -8.011 -5.900 544 H LYS 63 H LYS 63 -0.001 -6.517 -4.625 545 HA LYS 63 HA LYS 63 2.712 -7.353 -5.041 546 HB2 LYS 63 2HB LYS 63 1.495 -4.633 -5.487 547 HB3 LYS 63 1HB LYS 63 3.031 -5.223 -6.143 548 HG2 LYS 63 2HG LYS 63 1.844 -7.047 -7.257 549 HG3 LYS 63 1HG LYS 63 0.328 -6.412 -6.657 550 HD2 LYS 63 2HD LYS 63 0.839 -4.324 -7.954 551 HD3 LYS 63 1HD LYS 63 2.179 -5.223 -8.691 552 HE2 LYS 63 2HE LYS 63 -0.761 -5.883 -8.799 553 HE3 LYS 63 1HE LYS 63 0.302 -5.483 -10.145 554 HZ1 LYS 63 3HZ LYS 63 0.437 -7.988 -8.493 555 HZ2 LYS 63 1HZ LYS 63 1.512 -7.558 -9.733 556 HZ3 LYS 63 2HZ LYS 63 -0.098 -7.838 -10.079 557 H LEU 64 H LEU 64 1.007 -5.505 -2.620 558 HA LEU 64 HA LEU 64 3.222 -4.476 -1.210 559 HB2 LEU 64 2HB LEU 64 0.584 -5.551 -0.177 560 HB3 LEU 64 1HB LEU 64 1.770 -4.753 0.831 561 HG LEU 64 HG LEU 64 0.361 -3.412 -1.488 562 HD11 LEU 64 1HD1 LEU 64 -0.196 -3.265 1.483 563 HD12 LEU 64 2HD1 LEU 64 -1.232 -4.033 0.282 564 HD13 LEU 64 3HD1 LEU 64 -0.974 -2.291 0.237 565 HD21 LEU 64 3HD2 LEU 64 2.535 -2.431 -0.879 566 HD22 LEU 64 1HD2 LEU 64 1.995 -2.331 0.802 567 HD23 LEU 64 2HD2 LEU 64 1.194 -1.367 -0.434 568 H THR 65 H THR 65 1.562 -7.570 -1.065 569 HA THR 65 HA THR 65 3.084 -8.750 0.930 570 HB THR 65 HB THR 65 1.628 -10.086 -1.364 571 HG1 THR 65 1HG THR 65 0.109 -8.984 -0.278 572 HG21 THR 65 3HG2 THR 65 1.500 -12.037 0.138 573 HG22 THR 65 1HG2 THR 65 2.449 -11.169 1.348 574 HG23 THR 65 2HG2 THR 65 3.180 -11.608 -0.190 575 H ARG 66 H ARG 66 3.488 -8.730 -2.580 576 HA ARG 66 HA ARG 66 5.617 -10.565 -2.689 577 HB2 ARG 66 2HB ARG 66 4.643 -8.515 -4.636 578 HB3 ARG 66 1HB ARG 66 6.040 -9.518 -4.973 579 HG2 ARG 66 2HG ARG 66 4.647 -11.523 -4.712 580 HG3 ARG 66 1HG ARG 66 3.256 -10.488 -4.396 581 HD2 ARG 66 2HD ARG 66 3.332 -9.569 -6.592 582 HD3 ARG 66 1HD ARG 66 4.890 -10.331 -6.917 583 HE ARG 66 HE ARG 66 3.241 -12.395 -6.327 584 HH11 ARG 66 1HH1 ARG 66 3.091 -9.798 -8.770 585 HH12 ARG 66 2HH1 ARG 66 2.248 -10.748 -9.896 586 HH21 ARG 66 1HH2 ARG 66 2.175 -13.666 -7.922 587 HH22 ARG 66 2HH2 ARG 66 1.723 -13.009 -9.420 588 H PHE 67 H PHE 67 5.654 -7.120 -2.100 589 HA PHE 67 HA PHE 67 8.467 -6.987 -2.722 590 HB2 PHE 67 2HB PHE 67 7.020 -5.080 -3.240 591 HB3 PHE 67 1HB PHE 67 6.710 -4.846 -1.523 592 HD1 PHE 67 1HD PHE 67 9.336 -4.806 -4.116 593 HD2 PHE 67 2HD PHE 67 8.260 -3.559 -0.177 594 HE1 PHE 67 1HE PHE 67 11.318 -3.349 -4.023 595 HE2 PHE 67 2HE PHE 67 10.220 -2.120 -0.093 596 HZ PHE 67 HZ PHE 67 11.761 -2.004 -2.010 597 H PHE 68 H PHE 68 6.571 -6.501 0.261 598 HA PHE 68 HA PHE 68 9.155 -6.743 1.628 599 HB2 PHE 68 2HB PHE 68 8.273 -5.255 3.408 600 HB3 PHE 68 1HB PHE 68 8.449 -4.487 1.838 601 HD1 PHE 68 2HD PHE 68 6.035 -5.797 4.290 602 HD2 PHE 68 1HD PHE 68 6.531 -3.630 0.658 603 HE1 PHE 68 2HE PHE 68 3.695 -5.076 4.392 604 HE2 PHE 68 1HE PHE 68 4.204 -2.907 0.768 605 HZ PHE 68 HZ PHE 68 2.779 -3.629 2.631 606 H LEU 69 H LEU 69 5.810 -7.800 1.820 607 HA LEU 69 HA LEU 69 6.184 -8.726 4.513 608 HB2 LEU 69 2HB LEU 69 3.993 -7.922 3.712 609 HB3 LEU 69 1HB LEU 69 3.930 -9.276 2.603 610 HG LEU 69 HG LEU 69 3.846 -10.831 4.512 611 HD11 LEU 69 1HD1 LEU 69 3.691 -8.322 6.175 612 HD12 LEU 69 2HD1 LEU 69 5.007 -9.498 6.184 613 HD13 LEU 69 3HD1 LEU 69 3.405 -9.959 6.759 614 HD21 LEU 69 3HD2 LEU 69 1.788 -10.054 3.452 615 HD22 LEU 69 1HD2 LEU 69 1.746 -8.671 4.543 616 HD23 LEU 69 2HD2 LEU 69 1.556 -10.306 5.180 617 H LEU 70 H LEU 70 5.151 -10.542 1.652 618 HA LEU 70 HA LEU 70 5.416 -12.617 0.900 619 HB2 LEU 70 2HB LEU 70 8.105 -12.307 2.188 620 HB3 LEU 70 1HB LEU 70 7.683 -13.636 1.125 621 HG LEU 70 HG LEU 70 7.668 -10.726 0.310 622 HD11 LEU 70 1HD1 LEU 70 9.918 -11.481 0.869 623 HD12 LEU 70 2HD1 LEU 70 9.728 -11.259 -0.871 624 HD13 LEU 70 3HD1 LEU 70 9.713 -12.884 -0.181 625 HD21 LEU 70 3HD2 LEU 70 7.578 -11.655 -1.960 626 HD22 LEU 70 1HD2 LEU 70 6.170 -12.132 -1.013 627 HD23 LEU 70 2HD2 LEU 70 7.478 -13.281 -1.288 628 H GLU 71 H GLU 71 6.726 -12.547 4.097 629 HA GLU 71 HA GLU 71 6.722 -13.873 5.902 630 HB2 GLU 71 2HB GLU 71 4.163 -13.560 5.589 631 HB3 GLU 71 1HB GLU 71 4.174 -15.191 4.922 632 HG2 GLU 71 2HG GLU 71 5.174 -16.005 7.028 633 HG3 GLU 71 1HG GLU 71 5.054 -14.381 7.683 634 H HIS 72 H HIS 72 7.972 -14.595 3.501 635 HA HIS 72 HA HIS 72 7.863 -17.476 3.254 636 HB2 HIS 72 2HB HIS 72 8.415 -15.736 1.387 637 HB3 HIS 72 1HB HIS 72 10.020 -15.707 2.101 638 HD1 HIS 72 1HD HIS 72 11.614 -17.332 1.009 639 HD2 HIS 72 2HD HIS 72 7.646 -18.536 0.674 640 HE1 HIS 72 1HE HIS 72 11.650 -19.418 -0.341 641 HE2 HIS 72 2HE HIS 72 9.306 -20.296 -0.104 642 H HIS 73 H HIS 73 9.395 -15.077 5.032 643 HA HIS 73 HA HIS 73 10.860 -17.078 6.556 644 HB2 HIS 73 2HB HIS 73 11.882 -14.303 5.865 645 HB3 HIS 73 1HB HIS 73 12.593 -15.338 7.088 646 HD1 HIS 73 1HD HIS 73 14.126 -17.243 6.266 647 HD2 HIS 73 2HD HIS 73 12.394 -15.022 3.221 648 HE1 HIS 73 1HE HIS 73 15.399 -17.822 4.201 649 HE2 HIS 73 2HE HIS 73 14.251 -16.572 2.356 650 H HIS 74 H HIS 74 9.727 -17.095 8.384 651 HA HIS 74 HA HIS 74 9.166 -14.550 9.642 652 HB2 HIS 74 2HB HIS 74 7.094 -15.285 8.389 653 HB3 HIS 74 1HB HIS 74 7.072 -16.724 9.396 654 HD1 HIS 74 1HD HIS 74 5.775 -16.538 11.553 655 HD2 HIS 74 2HD HIS 74 6.723 -12.828 9.934 656 HE1 HIS 74 1HE HIS 74 4.632 -14.869 12.993 657 HE2 HIS 74 2HE HIS 74 5.150 -12.638 11.984 658 H HIS 75 H HIS 75 10.150 -14.742 11.509 659 HA HIS 75 HA HIS 75 10.376 -17.435 12.661 660 HB2 HIS 75 2HB HIS 75 12.548 -16.849 13.577 661 HB3 HIS 75 1HB HIS 75 12.554 -16.531 11.851 662 HD1 HIS 75 1HD HIS 75 13.367 -15.029 15.030 663 HD2 HIS 75 2HD HIS 75 12.279 -13.634 11.280 664 HE1 HIS 75 1HE HIS 75 13.963 -12.592 15.017 665 HE2 HIS 75 2HE HIS 75 12.833 -11.771 12.952 666 H HIS 76 H HIS 76 9.668 -17.731 14.670 667 HA HIS 76 HA HIS 76 8.752 -15.362 16.126 668 HB2 HIS 76 2HB HIS 76 7.017 -17.049 15.539 669 HB3 HIS 76 1HB HIS 76 7.914 -18.258 16.448 670 HD1 HIS 76 1HD HIS 76 7.911 -17.972 19.091 671 HD2 HIS 76 2HD HIS 76 5.435 -15.373 17.027 672 HE1 HIS 76 1HE HIS 76 6.397 -16.986 20.807 673 HE2 HIS 76 2HE HIS 76 4.678 -15.797 19.433 674 H HIS 77 H HIS 77 9.997 -14.803 17.788 675 HA HIS 77 HA HIS 77 11.623 -16.875 19.046 676 HB2 HIS 77 2HB HIS 77 12.885 -14.887 18.239 677 HB3 HIS 77 1HB HIS 77 11.873 -13.844 19.228 678 HD1 HIS 77 1HD HIS 77 14.770 -16.184 19.427 679 HD2 HIS 77 2HD HIS 77 12.441 -13.919 22.002 680 HE1 HIS 77 1HE HIS 77 15.987 -16.187 21.613 681 HE2 HIS 77 2HE HIS 77 14.322 -15.223 23.183 Start of MODEL 19 1 H1 MET 1 1HT MET 1 -5.355 23.362 -6.378 2 H2 MET 1 2HT MET 1 -4.141 24.174 -5.564 3 H3 MET 1 3HT MET 1 -5.605 23.924 -4.805 4 HA MET 1 HA MET 1 -3.977 22.495 -3.895 5 HB2 MET 1 2HB MET 1 -6.245 21.595 -4.022 6 HB3 MET 1 1HB MET 1 -5.940 21.015 -5.657 7 HG2 MET 1 2HG MET 1 -4.210 19.496 -4.768 8 HG3 MET 1 1HG MET 1 -4.583 20.048 -3.141 9 HE1 MET 1 2HE MET 1 -5.975 18.180 -6.326 10 HE2 MET 1 3HE MET 1 -7.226 19.388 -6.037 11 HE3 MET 1 1HE MET 1 -7.574 17.682 -5.771 12 H LEU 2 H LEU 2 -4.468 21.550 -7.328 13 HA LEU 2 HA LEU 2 -3.187 20.681 -8.871 14 HB2 LEU 2 2HB LEU 2 -0.906 21.800 -7.251 15 HB3 LEU 2 1HB LEU 2 -0.626 20.865 -8.699 16 HG LEU 2 HG LEU 2 -1.991 22.594 -9.946 17 HD11 LEU 2 1HD1 LEU 2 -2.245 24.790 -8.965 18 HD12 LEU 2 2HD1 LEU 2 -1.639 24.187 -7.421 19 HD13 LEU 2 3HD1 LEU 2 -3.164 23.583 -8.065 20 HD21 LEU 2 3HD2 LEU 2 -0.141 24.194 -10.056 21 HD22 LEU 2 1HD2 LEU 2 0.419 22.522 -10.078 22 HD23 LEU 2 2HD2 LEU 2 0.552 23.479 -8.602 23 H LYS 3 H LYS 3 -1.698 19.819 -5.808 24 HA LYS 3 HA LYS 3 -0.679 17.352 -6.669 25 HB2 LYS 3 2HB LYS 3 0.162 18.519 -4.692 26 HB3 LYS 3 1HB LYS 3 -1.367 18.270 -3.877 27 HG2 LYS 3 2HG LYS 3 -0.979 15.907 -3.728 28 HG3 LYS 3 1HG LYS 3 0.458 16.036 -4.746 29 HD2 LYS 3 2HD LYS 3 1.578 17.375 -3.055 30 HD3 LYS 3 1HD LYS 3 0.127 17.366 -2.055 31 HE2 LYS 3 2HE LYS 3 0.310 15.005 -1.711 32 HE3 LYS 3 1HE LYS 3 1.645 14.883 -2.856 33 HZ1 LYS 3 3HZ LYS 3 2.374 14.871 -0.523 34 HZ2 LYS 3 1HZ LYS 3 1.726 16.389 -0.282 35 HZ3 LYS 3 2HZ LYS 3 3.026 16.152 -1.341 36 H HIS 4 H HIS 4 -2.036 16.085 -7.695 37 HA HIS 4 HA HIS 4 -4.564 15.246 -6.525 38 HB2 HIS 4 2HB HIS 4 -3.311 14.919 -9.206 39 HB3 HIS 4 1HB HIS 4 -4.551 13.775 -8.706 40 HD1 HIS 4 1HD HIS 4 -6.747 14.399 -9.380 41 HD2 HIS 4 2HD HIS 4 -4.361 17.734 -8.874 42 HE1 HIS 4 1HE HIS 4 -8.238 16.396 -9.892 43 HE2 HIS 4 2HE HIS 4 -6.678 18.363 -9.788 44 H GLY 5 H GLY 5 -1.392 14.148 -6.816 45 HA2 GLY 5 2HA GLY 5 -2.212 11.500 -5.896 46 HA3 GLY 5 1HA GLY 5 -0.659 11.883 -6.644 47 H LYS 6 H LYS 6 -2.412 11.678 -3.791 48 HA LYS 6 HA LYS 6 -0.397 13.186 -2.303 49 HB2 LYS 6 2HB LYS 6 -3.092 12.121 -1.451 50 HB3 LYS 6 1HB LYS 6 -1.979 12.952 -0.375 51 HG2 LYS 6 2HG LYS 6 -2.124 14.962 -1.764 52 HG3 LYS 6 1HG LYS 6 -3.223 14.127 -2.860 53 HD2 LYS 6 2HD LYS 6 -4.859 13.894 -1.079 54 HD3 LYS 6 1HD LYS 6 -3.749 14.647 0.067 55 HE2 LYS 6 2HE LYS 6 -5.426 16.248 -0.693 56 HE3 LYS 6 1HE LYS 6 -3.817 16.724 -1.227 57 HZ1 LYS 6 3HZ LYS 6 -5.786 15.287 -2.907 58 HZ2 LYS 6 1HZ LYS 6 -4.327 15.922 -3.446 59 HZ3 LYS 6 2HZ LYS 6 -5.577 16.947 -2.954 60 H TYR 7 H TYR 7 0.847 12.268 -0.693 61 HA TYR 7 HA TYR 7 1.180 9.402 -1.000 62 HB2 TYR 7 2HB TYR 7 2.919 11.514 0.269 63 HB3 TYR 7 1HB TYR 7 3.272 9.800 0.344 64 HD1 TYR 7 2HD TYR 7 3.959 8.594 -1.658 65 HD2 TYR 7 1HD TYR 7 3.282 12.788 -1.754 66 HE1 TYR 7 2HE TYR 7 5.198 8.733 -3.769 67 HE2 TYR 7 1HE TYR 7 4.520 12.940 -3.883 68 HH TYR 7 HH TYR 7 6.266 11.636 -5.063 69 H VAL 8 H VAL 8 0.176 8.166 0.325 70 HA VAL 8 HA VAL 8 -0.068 8.996 3.114 71 HB VAL 8 HB VAL 8 -2.149 7.743 3.308 72 HG11 VAL 8 1HG1 VAL 8 -2.424 10.045 2.652 73 HG12 VAL 8 2HG1 VAL 8 -3.670 9.055 1.889 74 HG13 VAL 8 3HG1 VAL 8 -2.282 9.608 0.951 75 HG21 VAL 8 3HG2 VAL 8 -3.273 6.737 1.348 76 HG22 VAL 8 1HG2 VAL 8 -1.734 5.957 1.727 77 HG23 VAL 8 2HG2 VAL 8 -1.832 7.089 0.385 78 H TYR 9 H TYR 9 -0.575 6.721 4.323 79 HA TYR 9 HA TYR 9 1.401 4.834 3.264 80 HB2 TYR 9 2HB TYR 9 1.115 5.776 6.117 81 HB3 TYR 9 1HB TYR 9 2.048 4.368 5.638 82 HD1 TYR 9 2HD TYR 9 1.803 8.051 5.168 83 HD2 TYR 9 1HD TYR 9 4.298 4.612 5.001 84 HE1 TYR 9 2HE TYR 9 3.761 9.493 4.878 85 HE2 TYR 9 1HE TYR 9 6.268 6.050 4.715 86 HH TYR 9 HH TYR 9 6.854 8.237 4.031 87 H ILE 10 H ILE 10 0.940 2.716 3.617 88 HA ILE 10 HA ILE 10 -1.810 2.206 4.424 89 HB ILE 10 HB ILE 10 0.231 0.249 3.311 90 HG12 ILE 10 2HG1 ILE 10 -0.351 1.865 1.619 91 HG13 ILE 10 1HG1 ILE 10 -1.142 0.342 1.236 92 HG21 ILE 10 1HG2 ILE 10 -1.648 -1.294 2.967 93 HG22 ILE 10 2HG2 ILE 10 -2.721 -0.149 3.777 94 HG23 ILE 10 3HG2 ILE 10 -1.413 -0.911 4.676 95 HD11 ILE 10 3HD1 ILE 10 -2.414 2.800 2.428 96 HD12 ILE 10 1HD1 ILE 10 -3.214 1.239 2.232 97 HD13 ILE 10 2HD1 ILE 10 -2.666 2.124 0.814 98 H ASP 11 H ASP 11 -2.365 1.386 6.254 99 HA ASP 11 HA ASP 11 -0.407 1.154 8.328 100 HB2 ASP 11 2HB ASP 11 -2.568 2.184 8.868 101 HB3 ASP 11 1HB ASP 11 -3.412 0.710 8.429 102 H LEU 12 H LEU 12 0.812 -0.412 7.629 103 HA LEU 12 HA LEU 12 -0.029 -3.114 7.264 104 HB2 LEU 12 2HB LEU 12 2.698 -2.108 8.077 105 HB3 LEU 12 1HB LEU 12 2.326 -3.632 7.301 106 HG LEU 12 HG LEU 12 2.086 -0.906 6.026 107 HD11 LEU 12 1HD1 LEU 12 4.390 -1.534 6.411 108 HD12 LEU 12 2HD1 LEU 12 4.003 -1.610 4.693 109 HD13 LEU 12 3HD1 LEU 12 4.113 -3.093 5.636 110 HD21 LEU 12 3HD2 LEU 12 1.732 -2.167 3.934 111 HD22 LEU 12 1HD2 LEU 12 0.453 -2.481 5.109 112 HD23 LEU 12 2HD2 LEU 12 1.731 -3.668 4.850 113 H ASN 13 H ASN 13 1.140 -1.096 9.781 114 HA ASN 13 HA ASN 13 0.972 -1.033 11.994 115 HB2 ASN 13 2HB ASN 13 -1.381 -1.793 11.437 116 HB3 ASN 13 1HB ASN 13 -0.872 -3.419 11.869 117 HD21 ASN 13 1HD2 ASN 13 -1.482 -0.227 12.997 118 HD22 ASN 13 2HD2 ASN 13 -1.570 -0.592 14.688 119 H ASN 14 H ASN 14 2.517 -3.441 10.496 120 HA ASN 14 HA ASN 14 3.254 -4.887 12.903 121 HB2 ASN 14 2HB ASN 14 4.653 -6.351 11.453 122 HB3 ASN 14 1HB ASN 14 2.968 -6.309 10.973 123 HD21 ASN 14 1HD2 ASN 14 2.459 -5.597 8.958 124 HD22 ASN 14 2HD2 ASN 14 3.642 -5.169 7.775 125 H GLY 15 H GLY 15 4.015 -2.048 12.414 126 HA2 GLY 15 2HA GLY 15 5.798 -1.040 13.618 127 HA3 GLY 15 1HA GLY 15 6.818 -2.398 13.181 128 H LYS 16 H LYS 16 5.528 -1.958 10.357 129 HA LYS 16 HA LYS 16 7.121 0.381 9.646 130 HB2 LYS 16 2HB LYS 16 7.936 -0.754 7.612 131 HB3 LYS 16 1HB LYS 16 8.493 -1.559 9.066 132 HG2 LYS 16 2HG LYS 16 6.725 -3.253 8.763 133 HG3 LYS 16 1HG LYS 16 6.257 -2.457 7.260 134 HD2 LYS 16 2HD LYS 16 8.486 -2.877 6.329 135 HD3 LYS 16 1HD LYS 16 8.981 -3.629 7.848 136 HE2 LYS 16 2HE LYS 16 7.245 -5.339 7.546 137 HE3 LYS 16 1HE LYS 16 6.791 -4.599 6.016 138 HZ1 LYS 16 3HZ LYS 16 9.431 -5.808 6.643 139 HZ2 LYS 16 1HZ LYS 16 9.030 -5.125 5.165 140 HZ3 LYS 16 2HZ LYS 16 8.252 -6.522 5.701 141 H TYR 17 H TYR 17 6.516 1.281 7.548 142 HA TYR 17 HA TYR 17 3.744 0.716 6.821 143 HB2 TYR 17 2HB TYR 17 4.969 3.363 7.542 144 HB3 TYR 17 1HB TYR 17 3.589 3.258 6.463 145 HD1 TYR 17 1HD TYR 17 4.696 2.362 9.914 146 HD2 TYR 17 2HD TYR 17 1.434 3.094 7.297 147 HE1 TYR 17 1HE TYR 17 3.140 2.315 11.825 148 HE2 TYR 17 2HE TYR 17 -0.108 3.048 9.194 149 HH TYR 17 HH TYR 17 -0.209 2.108 11.408 150 H VAL 18 H VAL 18 3.245 1.156 4.702 151 HA VAL 18 HA VAL 18 5.557 1.452 2.940 152 HB VAL 18 HB VAL 18 4.357 -0.640 2.567 153 HG11 VAL 18 1HG1 VAL 18 1.997 -0.675 1.887 154 HG12 VAL 18 2HG1 VAL 18 1.921 1.062 2.196 155 HG13 VAL 18 3HG1 VAL 18 2.248 -0.057 3.521 156 HG21 VAL 18 3HG2 VAL 18 3.712 1.333 0.378 157 HG22 VAL 18 1HG2 VAL 18 3.724 -0.422 0.202 158 HG23 VAL 18 2HG2 VAL 18 5.220 0.438 0.558 159 H LYS 19 H LYS 19 5.618 3.031 1.445 160 HA LYS 19 HA LYS 19 3.811 5.264 1.917 161 HB2 LYS 19 2HB LYS 19 6.335 5.470 1.888 162 HB3 LYS 19 1HB LYS 19 6.272 5.105 0.174 163 HG2 LYS 19 2HG LYS 19 4.927 7.131 -0.187 164 HG3 LYS 19 1HG LYS 19 5.040 7.502 1.533 165 HD2 LYS 19 2HD LYS 19 7.555 7.429 1.268 166 HD3 LYS 19 1HD LYS 19 7.277 7.346 -0.469 167 HE2 LYS 19 2HE LYS 19 6.112 9.483 -0.392 168 HE3 LYS 19 1HE LYS 19 6.340 9.559 1.354 169 HZ1 LYS 19 3HZ LYS 19 8.022 10.882 0.335 170 HZ2 LYS 19 1HZ LYS 19 8.457 9.643 -0.723 171 HZ3 LYS 19 2HZ LYS 19 8.767 9.505 0.926 172 H VAL 20 H VAL 20 2.090 5.498 0.597 173 HA VAL 20 HA VAL 20 2.360 4.552 -2.141 174 HB VAL 20 HB VAL 20 1.090 2.864 -0.893 175 HG11 VAL 20 1HG1 VAL 20 -1.118 3.347 0.035 176 HG12 VAL 20 2HG1 VAL 20 -0.845 5.064 -0.267 177 HG13 VAL 20 3HG1 VAL 20 0.176 4.200 0.878 178 HG21 VAL 20 3HG2 VAL 20 -0.615 4.434 -2.829 179 HG22 VAL 20 1HG2 VAL 20 -0.958 2.790 -2.289 180 HG23 VAL 20 2HG2 VAL 20 0.501 3.122 -3.215 181 H ARG 21 H ARG 21 1.782 5.938 -3.590 182 HA ARG 21 HA ARG 21 0.584 8.449 -2.773 183 HB2 ARG 21 2HB ARG 21 2.652 8.409 -4.191 184 HB3 ARG 21 1HB ARG 21 1.719 7.627 -5.454 185 HG2 ARG 21 2HG ARG 21 0.310 9.598 -5.664 186 HG3 ARG 21 1HG ARG 21 1.182 10.377 -4.342 187 HD2 ARG 21 2HD ARG 21 3.264 10.209 -5.659 188 HD3 ARG 21 1HD ARG 21 2.347 9.518 -6.991 189 HE ARG 21 HE ARG 21 1.116 11.893 -6.462 190 HH11 ARG 21 1HH1 ARG 21 4.485 11.062 -7.100 191 HH12 ARG 21 2HH1 ARG 21 4.802 12.455 -8.025 192 HH21 ARG 21 1HH2 ARG 21 1.572 13.839 -7.740 193 HH22 ARG 21 2HH2 ARG 21 3.107 14.033 -8.414 194 H ILE 22 H ILE 22 -1.497 8.678 -2.941 195 HA ILE 22 HA ILE 22 -3.106 6.838 -4.515 196 HB ILE 22 HB ILE 22 -4.002 9.216 -2.856 197 HG12 ILE 22 2HG1 ILE 22 -2.811 7.714 -1.379 198 HG13 ILE 22 1HG1 ILE 22 -4.534 7.605 -1.051 199 HG21 ILE 22 1HG2 ILE 22 -5.538 6.810 -3.840 200 HG22 ILE 22 2HG2 ILE 22 -5.674 8.461 -4.443 201 HG23 ILE 22 3HG2 ILE 22 -6.186 8.079 -2.799 202 HD11 ILE 22 3HD1 ILE 22 -2.872 5.624 -2.588 203 HD12 ILE 22 1HD1 ILE 22 -4.615 5.515 -2.333 204 HD13 ILE 22 2HD1 ILE 22 -3.517 5.426 -0.956 205 H LEU 23 H LEU 23 -3.168 7.344 -6.615 206 HA LEU 23 HA LEU 23 -2.895 10.105 -7.475 207 HB2 LEU 23 2HB LEU 23 -3.251 7.544 -9.019 208 HB3 LEU 23 1HB LEU 23 -2.833 9.100 -9.703 209 HG LEU 23 HG LEU 23 -1.079 7.564 -7.785 210 HD11 LEU 23 1HD1 LEU 23 -1.372 6.354 -9.891 211 HD12 LEU 23 2HD1 LEU 23 0.257 7.002 -9.731 212 HD13 LEU 23 3HD1 LEU 23 -0.907 7.800 -10.790 213 HD21 LEU 23 3HD2 LEU 23 0.643 9.128 -8.537 214 HD22 LEU 23 1HD2 LEU 23 -0.709 9.978 -7.784 215 HD23 LEU 23 2HD2 LEU 23 -0.546 9.960 -9.540 216 H LYS 24 H LYS 24 -4.794 11.192 -7.287 217 HA LYS 24 HA LYS 24 -7.233 9.766 -8.023 218 HB2 LYS 24 2HB LYS 24 -7.236 11.090 -5.928 219 HB3 LYS 24 1HB LYS 24 -6.859 12.533 -6.845 220 HG2 LYS 24 2HG LYS 24 -9.024 12.248 -8.069 221 HG3 LYS 24 1HG LYS 24 -9.392 10.908 -6.987 222 HD2 LYS 24 2HD LYS 24 -8.825 13.732 -6.072 223 HD3 LYS 24 1HD LYS 24 -10.440 13.082 -6.326 224 HE2 LYS 24 2HE LYS 24 -8.415 11.978 -4.370 225 HE3 LYS 24 1HE LYS 24 -9.718 13.081 -3.945 226 HZ1 LYS 24 3HZ LYS 24 -9.944 10.221 -4.765 227 HZ2 LYS 24 1HZ LYS 24 -11.258 11.294 -4.872 228 HZ3 LYS 24 2HZ LYS 24 -10.509 11.013 -3.427 229 H SER 25 H SER 25 -7.434 9.712 -10.148 230 HA SER 25 HA SER 25 -6.686 12.027 -11.714 231 HB2 SER 25 2HB SER 25 -7.437 9.236 -12.579 232 HB3 SER 25 1HB SER 25 -6.684 10.488 -13.573 233 HG SER 25 HG SER 25 -5.178 10.266 -11.465 234 H ARG 26 H ARG 26 -8.353 13.379 -11.513 235 HA ARG 26 HA ARG 26 -11.081 12.433 -11.658 236 HB2 ARG 26 2HB ARG 26 -10.373 14.268 -10.105 237 HB3 ARG 26 1HB ARG 26 -10.048 15.269 -11.510 238 HG2 ARG 26 2HG ARG 26 -12.365 15.184 -12.164 239 HG3 ARG 26 1HG ARG 26 -12.728 14.098 -10.822 240 HD2 ARG 26 2HD ARG 26 -11.994 15.853 -9.259 241 HD3 ARG 26 1HD ARG 26 -11.755 16.935 -10.632 242 HE ARG 26 HE ARG 26 -14.308 16.006 -10.865 243 HH11 ARG 26 1HH1 ARG 26 -12.480 17.840 -8.450 244 HH12 ARG 26 2HH1 ARG 26 -13.831 18.639 -7.810 245 HH21 ARG 26 1HH2 ARG 26 -16.188 17.140 -10.010 246 HH22 ARG 26 2HH2 ARG 26 -15.991 18.244 -8.738 247 H ASP 27 H ASP 27 -8.657 13.755 -13.660 248 HA ASP 27 HA ASP 27 -10.341 14.733 -15.734 249 HB2 ASP 27 2HB ASP 27 -8.272 14.876 -17.072 250 HB3 ASP 27 1HB ASP 27 -8.084 15.612 -15.487 251 H ASP 28 H ASP 28 -9.486 11.656 -14.774 252 HA ASP 28 HA ASP 28 -10.122 10.463 -17.371 253 HB2 ASP 28 2HB ASP 28 -9.030 9.212 -14.838 254 HB3 ASP 28 1HB ASP 28 -9.566 8.269 -16.220 255 H ASN 29 H ASN 29 -11.727 11.715 -15.029 256 HA ASN 29 HA ASN 29 -13.783 11.688 -14.249 257 HB2 ASN 29 2HB ASN 29 -14.562 10.867 -16.499 258 HB3 ASN 29 1HB ASN 29 -14.360 9.216 -15.935 259 HD21 ASN 29 1HD2 ASN 29 -15.883 8.360 -14.530 260 HD22 ASN 29 2HD2 ASN 29 -17.366 9.147 -14.148 261 H SER 30 H SER 30 -12.615 11.336 -12.442 262 HA SER 30 HA SER 30 -12.087 10.474 -10.464 263 HB2 SER 30 2HB SER 30 -14.555 10.884 -10.295 264 HB3 SER 30 1HB SER 30 -14.816 9.177 -10.625 265 HG SER 30 HG SER 30 -14.202 8.679 -8.697 266 H VAL 31 H VAL 31 -10.408 9.200 -11.458 267 HA VAL 31 HA VAL 31 -10.812 6.329 -10.956 268 HB VAL 31 HB VAL 31 -8.883 7.632 -12.922 269 HG11 VAL 31 1HG1 VAL 31 -7.919 5.633 -11.912 270 HG12 VAL 31 2HG1 VAL 31 -8.310 5.350 -13.611 271 HG13 VAL 31 3HG1 VAL 31 -9.353 4.706 -12.346 272 HG21 VAL 31 3HG2 VAL 31 -11.322 5.934 -13.431 273 HG22 VAL 31 1HG2 VAL 31 -10.186 6.494 -14.659 274 HG23 VAL 31 2HG2 VAL 31 -11.156 7.661 -13.765 275 H GLU 32 H GLU 32 -9.767 5.787 -9.138 276 HA GLU 32 HA GLU 32 -7.475 7.426 -8.414 277 HB2 GLU 32 2HB GLU 32 -9.253 5.717 -6.678 278 HB3 GLU 32 1HB GLU 32 -7.867 6.648 -6.108 279 HG2 GLU 32 2HG GLU 32 -8.912 8.704 -6.802 280 HG3 GLU 32 1HG GLU 32 -10.275 7.814 -7.472 281 H LYS 33 H LYS 33 -5.688 6.613 -8.933 282 HA LYS 33 HA LYS 33 -5.356 3.720 -9.100 283 HB2 LYS 33 2HB LYS 33 -3.862 6.024 -10.330 284 HB3 LYS 33 1HB LYS 33 -3.183 4.409 -10.295 285 HG2 LYS 33 2HG LYS 33 -5.903 4.798 -11.454 286 HG3 LYS 33 1HG LYS 33 -4.507 5.322 -12.388 287 HD2 LYS 33 2HD LYS 33 -5.103 3.065 -13.046 288 HD3 LYS 33 1HD LYS 33 -3.564 3.036 -12.206 289 HE2 LYS 33 2HE LYS 33 -4.662 2.247 -10.189 290 HE3 LYS 33 1HE LYS 33 -6.234 2.327 -10.995 291 HZ1 LYS 33 3HZ LYS 33 -3.961 0.604 -11.816 292 HZ2 LYS 33 1HZ LYS 33 -5.486 0.638 -12.530 293 HZ3 LYS 33 2HZ LYS 33 -5.291 0.082 -10.949 294 H TYR 34 H TYR 34 -3.806 2.700 -7.942 295 HA TYR 34 HA TYR 34 -2.547 4.298 -5.871 296 HB2 TYR 34 2HB TYR 34 -2.918 1.285 -6.061 297 HB3 TYR 34 1HB TYR 34 -2.316 2.176 -4.663 298 HD1 TYR 34 2HD TYR 34 -3.880 3.802 -3.503 299 HD2 TYR 34 1HD TYR 34 -5.262 0.987 -6.364 300 HE1 TYR 34 2HE TYR 34 -6.188 4.117 -2.701 301 HE2 TYR 34 1HE TYR 34 -7.559 1.296 -5.582 302 HH TYR 34 HH TYR 34 -8.439 3.836 -3.476 303 H VAL 35 H VAL 35 -0.344 4.350 -5.746 304 HA VAL 35 HA VAL 35 0.992 4.014 -8.192 305 HB VAL 35 HB VAL 35 1.554 5.706 -6.404 306 HG11 VAL 35 1HG1 VAL 35 3.188 5.085 -4.686 307 HG12 VAL 35 2HG1 VAL 35 2.965 3.391 -5.147 308 HG13 VAL 35 3HG1 VAL 35 1.614 4.310 -4.482 309 HG21 VAL 35 3HG2 VAL 35 3.842 4.108 -7.553 310 HG22 VAL 35 1HG2 VAL 35 3.988 5.728 -6.870 311 HG23 VAL 35 2HG2 VAL 35 3.013 5.468 -8.310 312 H LEU 36 H LEU 36 2.622 2.665 -8.826 313 HA LEU 36 HA LEU 36 2.217 -0.001 -8.017 314 HB2 LEU 36 2HB LEU 36 3.813 1.238 -10.205 315 HB3 LEU 36 1HB LEU 36 3.858 -0.477 -9.882 316 HG LEU 36 HG LEU 36 2.358 -0.157 -11.685 317 HD11 LEU 36 1HD1 LEU 36 0.655 -0.515 -9.237 318 HD12 LEU 36 2HD1 LEU 36 1.586 -1.766 -10.052 319 HD13 LEU 36 3HD1 LEU 36 0.242 -0.988 -10.885 320 HD21 LEU 36 3HD2 LEU 36 1.930 2.213 -11.500 321 HD22 LEU 36 1HD2 LEU 36 0.963 1.956 -10.045 322 HD23 LEU 36 2HD2 LEU 36 0.405 1.340 -11.599 323 H THR 37 H THR 37 4.266 2.205 -6.737 324 HA THR 37 HA THR 37 6.357 0.250 -6.268 325 HB THR 37 HB THR 37 7.113 2.577 -6.671 326 HG1 THR 37 1HG THR 37 8.329 2.817 -4.718 327 HG21 THR 37 3HG2 THR 37 5.178 3.790 -5.748 328 HG22 THR 37 1HG2 THR 37 6.684 4.346 -5.017 329 HG23 THR 37 2HG2 THR 37 5.622 3.256 -4.128 330 H SER 38 H SER 38 6.931 -0.380 -4.143 331 HA SER 38 HA SER 38 4.783 -0.158 -2.161 332 HB2 SER 38 2HB SER 38 6.323 -2.667 -2.828 333 HB3 SER 38 1HB SER 38 5.003 -2.522 -1.665 334 HG SER 38 HG SER 38 5.001 -2.710 -4.361 335 H HIS 39 H HIS 39 7.373 1.211 -2.496 336 HA HIS 39 HA HIS 39 9.304 0.156 -0.763 337 HB2 HIS 39 2HB HIS 39 8.859 2.938 -1.786 338 HB3 HIS 39 1HB HIS 39 10.054 2.650 -0.531 339 HD1 HIS 39 1HD HIS 39 12.155 2.994 -1.828 340 HD2 HIS 39 2HD HIS 39 9.557 0.378 -3.733 341 HE1 HIS 39 1HE HIS 39 13.434 2.089 -3.797 342 HE2 HIS 39 2HE HIS 39 11.935 0.299 -4.726 343 H VAL 40 H VAL 40 9.597 0.109 1.283 344 HA VAL 40 HA VAL 40 7.505 1.217 2.971 345 HB VAL 40 HB VAL 40 8.362 -0.432 4.711 346 HG11 VAL 40 1HG1 VAL 40 6.289 -0.750 3.527 347 HG12 VAL 40 2HG1 VAL 40 7.117 -2.296 3.711 348 HG13 VAL 40 3HG1 VAL 40 7.147 -1.454 2.161 349 HG21 VAL 40 3HG2 VAL 40 10.523 -0.939 3.639 350 HG22 VAL 40 1HG2 VAL 40 9.666 -1.667 2.279 351 HG23 VAL 40 2HG2 VAL 40 9.559 -2.398 3.878 352 H SER 41 H SER 41 7.945 2.005 4.969 353 HA SER 41 HA SER 41 10.660 2.924 5.473 354 HB2 SER 41 2HB SER 41 8.090 4.491 5.856 355 HB3 SER 41 1HB SER 41 9.721 5.076 6.204 356 HG SER 41 HG SER 41 9.254 4.060 3.679 357 H LYS 42 H LYS 42 11.199 2.744 7.681 358 HA LYS 42 HA LYS 42 9.337 1.104 9.218 359 HB2 LYS 42 2HB LYS 42 12.272 1.659 9.616 360 HB3 LYS 42 1HB LYS 42 11.296 0.681 10.708 361 HG2 LYS 42 2HG LYS 42 10.809 -0.858 8.837 362 HG3 LYS 42 1HG LYS 42 11.849 0.126 7.803 363 HD2 LYS 42 2HD LYS 42 13.060 -1.838 8.602 364 HD3 LYS 42 1HD LYS 42 13.752 -0.367 9.280 365 HE2 LYS 42 2HE LYS 42 12.581 -0.764 11.382 366 HE3 LYS 42 1HE LYS 42 11.829 -2.208 10.701 367 HZ1 LYS 42 3HZ LYS 42 13.734 -2.689 12.097 368 HZ2 LYS 42 1HZ LYS 42 14.744 -1.815 11.080 369 HZ3 LYS 42 2HZ LYS 42 13.972 -3.230 10.527 370 H ASN 43 H ASN 43 9.375 4.074 8.849 371 HA ASN 43 HA ASN 43 9.308 4.890 11.656 372 HB2 ASN 43 2HB ASN 43 9.207 6.547 9.116 373 HB3 ASN 43 1HB ASN 43 9.020 7.206 10.738 374 HD21 ASN 43 1HD2 ASN 43 11.242 5.896 8.404 375 HD22 ASN 43 2HD2 ASN 43 12.668 6.344 9.243 376 H ARG 44 H ARG 44 7.391 5.547 12.538 377 HA ARG 44 HA ARG 44 5.085 4.777 10.954 378 HB2 ARG 44 2HB ARG 44 5.361 5.127 13.949 379 HB3 ARG 44 1HB ARG 44 3.893 4.619 13.117 380 HG2 ARG 44 2HG ARG 44 5.144 2.652 12.229 381 HG3 ARG 44 1HG ARG 44 6.517 3.144 13.209 382 HD2 ARG 44 2HD ARG 44 3.788 2.489 14.287 383 HD3 ARG 44 1HD ARG 44 5.148 1.365 14.249 384 HE ARG 44 HE ARG 44 6.008 3.636 15.547 385 HH11 ARG 44 1HH1 ARG 44 3.477 1.219 16.079 386 HH12 ARG 44 2HH1 ARG 44 3.578 1.279 17.777 387 HH21 ARG 44 1HH2 ARG 44 6.164 3.701 17.883 388 HH22 ARG 44 2HH2 ARG 44 5.147 2.714 18.821 389 HA PRO 45 HA PRO 45 4.555 9.186 10.662 390 HB2 PRO 45 2HB PRO 45 2.820 9.170 8.641 391 HB3 PRO 45 1HB PRO 45 4.536 8.860 8.381 392 HG2 PRO 45 2HG PRO 45 2.249 6.948 8.508 393 HG3 PRO 45 1HG PRO 45 3.684 6.900 7.480 394 HD2 PRO 45 2HD PRO 45 3.345 5.405 9.769 395 HD3 PRO 45 1HD PRO 45 4.914 5.812 9.051 396 H LYS 46 H LYS 46 3.342 10.307 11.942 397 HA LYS 46 HA LYS 46 0.512 9.614 12.290 398 HB2 LYS 46 2HB LYS 46 2.298 11.358 14.001 399 HB3 LYS 46 1HB LYS 46 0.636 10.927 14.371 400 HG2 LYS 46 2HG LYS 46 2.991 9.045 14.248 401 HG3 LYS 46 1HG LYS 46 2.195 9.625 15.712 402 HD2 LYS 46 2HD LYS 46 0.130 8.507 15.037 403 HD3 LYS 46 1HD LYS 46 0.903 7.958 13.549 404 HE2 LYS 46 2HE LYS 46 0.894 6.153 15.152 405 HE3 LYS 46 1HE LYS 46 2.545 6.711 14.902 406 HZ1 LYS 46 3HZ LYS 46 2.083 6.338 17.232 407 HZ2 LYS 46 1HZ LYS 46 0.801 7.416 17.196 408 HZ3 LYS 46 2HZ LYS 46 2.377 7.973 16.985 409 H ASN 47 H ASN 47 2.687 11.725 10.860 410 HA ASN 47 HA ASN 47 0.907 14.027 10.720 411 HB2 ASN 47 2HB ASN 47 2.690 15.134 9.461 412 HB3 ASN 47 1HB ASN 47 3.360 14.417 10.916 413 HD21 ASN 47 1HD2 ASN 47 4.843 12.717 10.718 414 HD22 ASN 47 2HD2 ASN 47 5.518 12.248 9.215 415 H ALA 48 H ALA 48 1.034 11.163 9.209 416 HA ALA 48 HA ALA 48 0.040 12.267 6.701 417 HB1 ALA 48 1HB ALA 48 1.699 9.767 7.014 418 HB2 ALA 48 2HB ALA 48 2.274 11.300 6.356 419 HB3 ALA 48 3HB ALA 48 1.027 10.384 5.508 420 H ILE 49 H ILE 49 -1.436 10.752 5.630 421 HA ILE 49 HA ILE 49 -3.253 9.667 7.589 422 HB ILE 49 HB ILE 49 -3.485 9.870 4.568 423 HG12 ILE 49 2HG1 ILE 49 -3.349 12.091 5.587 424 HG13 ILE 49 1HG1 ILE 49 -4.972 11.795 4.980 425 HG21 ILE 49 1HG2 ILE 49 -5.885 9.506 4.881 426 HG22 ILE 49 2HG2 ILE 49 -5.621 9.252 6.604 427 HG23 ILE 49 3HG2 ILE 49 -4.933 8.125 5.433 428 HD11 ILE 49 3HD1 ILE 49 -5.034 12.939 7.113 429 HD12 ILE 49 1HD1 ILE 49 -4.096 11.646 7.862 430 HD13 ILE 49 2HD1 ILE 49 -5.723 11.323 7.268 431 H VAL 50 H VAL 50 -3.633 7.538 7.907 432 HA VAL 50 HA VAL 50 -2.098 5.695 6.257 433 HB VAL 50 HB VAL 50 -1.839 4.191 8.175 434 HG11 VAL 50 1HG1 VAL 50 -0.904 6.988 8.765 435 HG12 VAL 50 2HG1 VAL 50 -0.073 5.779 7.788 436 HG13 VAL 50 3HG1 VAL 50 -0.269 5.527 9.520 437 HG21 VAL 50 3HG2 VAL 50 -2.418 4.908 10.472 438 HG22 VAL 50 1HG2 VAL 50 -3.848 4.745 9.452 439 HG23 VAL 50 2HG2 VAL 50 -3.204 6.344 9.808 440 H ILE 51 H ILE 51 -3.137 4.100 5.324 441 HA ILE 51 HA ILE 51 -5.987 3.743 6.000 442 HB ILE 51 HB ILE 51 -4.668 3.248 3.295 443 HG12 ILE 51 2HG1 ILE 51 -6.454 5.547 4.154 444 HG13 ILE 51 1HG1 ILE 51 -4.727 5.664 3.864 445 HG21 ILE 51 1HG2 ILE 51 -6.969 3.038 2.465 446 HG22 ILE 51 2HG2 ILE 51 -7.585 3.308 4.092 447 HG23 ILE 51 3HG2 ILE 51 -6.647 1.858 3.739 448 HD11 ILE 51 3HD1 ILE 51 -5.991 6.537 1.985 449 HD12 ILE 51 1HD1 ILE 51 -6.827 4.991 1.810 450 HD13 ILE 51 2HD1 ILE 51 -5.093 5.094 1.508 451 H LYS 52 H LYS 52 -6.581 1.688 6.567 452 HA LYS 52 HA LYS 52 -4.430 -0.192 6.994 453 HB2 LYS 52 2HB LYS 52 -6.241 0.257 8.657 454 HB3 LYS 52 1HB LYS 52 -7.382 -0.515 7.571 455 HG2 LYS 52 2HG LYS 52 -6.148 -2.624 7.781 456 HG3 LYS 52 1HG LYS 52 -5.012 -1.842 8.881 457 HD2 LYS 52 2HD LYS 52 -7.985 -2.076 9.374 458 HD3 LYS 52 1HD LYS 52 -6.782 -3.175 10.035 459 HE2 LYS 52 2HE LYS 52 -6.839 -0.195 10.560 460 HE3 LYS 52 1HE LYS 52 -7.535 -1.413 11.617 461 HZ1 LYS 52 3HZ LYS 52 -5.283 -2.384 11.838 462 HZ2 LYS 52 1HZ LYS 52 -5.412 -0.819 12.422 463 HZ3 LYS 52 2HZ LYS 52 -4.623 -1.084 10.975 464 H MET 53 H MET 53 -4.381 -2.373 6.268 465 HA MET 53 HA MET 53 -4.241 -2.659 3.545 466 HB2 MET 53 2HB MET 53 -4.608 -4.819 5.605 467 HB3 MET 53 1HB MET 53 -4.273 -5.147 3.924 468 HG2 MET 53 2HG MET 53 -2.124 -3.954 4.163 469 HG3 MET 53 1HG MET 53 -2.477 -3.737 5.884 470 HE1 MET 53 3HE MET 53 0.289 -6.626 5.769 471 HE2 MET 53 1HE MET 53 -0.085 -5.034 6.430 472 HE3 MET 53 2HE MET 53 0.155 -5.235 4.695 473 H ASP 54 H ASP 54 -6.885 -3.592 5.592 474 HA ASP 54 HA ASP 54 -8.240 -5.216 3.731 475 HB2 ASP 54 2HB ASP 54 -8.570 -5.401 6.154 476 HB3 ASP 54 1HB ASP 54 -9.377 -3.841 6.169 477 H ASN 55 H ASN 55 -8.120 -1.813 3.851 478 HA ASN 55 HA ASN 55 -10.642 -1.448 2.440 479 HB2 ASN 55 2HB ASN 55 -9.908 0.350 3.946 480 HB3 ASN 55 1HB ASN 55 -8.419 0.536 3.029 481 HD21 ASN 55 1HD2 ASN 55 -8.479 1.644 1.044 482 HD22 ASN 55 2HD2 ASN 55 -9.850 2.521 0.500 483 H LEU 56 H LEU 56 -7.365 -2.050 1.667 484 HA LEU 56 HA LEU 56 -7.550 -0.819 -0.917 485 HB2 LEU 56 2HB LEU 56 -5.280 -2.281 0.422 486 HB3 LEU 56 1HB LEU 56 -5.203 -1.675 -1.215 487 HG LEU 56 HG LEU 56 -4.044 -0.151 0.174 488 HD11 LEU 56 1HD1 LEU 56 -6.716 1.053 -0.480 489 HD12 LEU 56 2HD1 LEU 56 -5.350 0.874 -1.576 490 HD13 LEU 56 3HD1 LEU 56 -5.219 1.933 -0.174 491 HD21 LEU 56 3HD2 LEU 56 -4.885 -0.674 2.351 492 HD22 LEU 56 1HD2 LEU 56 -6.497 -0.102 1.911 493 HD23 LEU 56 2HD2 LEU 56 -5.182 1.045 2.054 494 HA PRO 57 HA PRO 57 -8.842 -4.380 -3.205 495 HB2 PRO 57 2HB PRO 57 -7.046 -3.311 -5.320 496 HB3 PRO 57 1HB PRO 57 -8.771 -3.684 -5.398 497 HG2 PRO 57 2HG PRO 57 -7.936 -1.171 -5.321 498 HG3 PRO 57 1HG PRO 57 -9.386 -1.677 -4.431 499 HD2 PRO 57 2HD PRO 57 -6.630 -1.135 -3.422 500 HD3 PRO 57 1HD PRO 57 -8.210 -0.729 -2.716 501 H ILE 58 H ILE 58 -7.913 -6.255 -4.391 502 HA ILE 58 HA ILE 58 -5.764 -7.208 -2.882 503 HB ILE 58 HB ILE 58 -5.829 -9.307 -4.210 504 HG12 ILE 58 2HG1 ILE 58 -7.970 -9.646 -5.612 505 HG13 ILE 58 1HG1 ILE 58 -8.039 -7.900 -5.727 506 HG21 ILE 58 1HG2 ILE 58 -7.057 -9.114 -2.192 507 HG22 ILE 58 2HG2 ILE 58 -7.987 -10.051 -3.357 508 HG23 ILE 58 3HG2 ILE 58 -8.411 -8.369 -3.042 509 HD11 ILE 58 3HD1 ILE 58 -5.850 -7.913 -6.841 510 HD12 ILE 58 1HD1 ILE 58 -7.049 -8.874 -7.708 511 HD13 ILE 58 2HD1 ILE 58 -5.823 -9.673 -6.728 512 H GLU 59 H GLU 59 -5.767 -5.737 -5.994 513 HA GLU 59 HA GLU 59 -3.216 -6.550 -6.846 514 HB2 GLU 59 2HB GLU 59 -4.633 -3.933 -7.302 515 HB3 GLU 59 1HB GLU 59 -3.122 -4.365 -8.076 516 HG2 GLU 59 2HG GLU 59 -4.270 -6.312 -9.072 517 HG3 GLU 59 1HG GLU 59 -5.785 -5.709 -8.409 518 H VAL 60 H VAL 60 -4.210 -4.001 -4.669 519 HA VAL 60 HA VAL 60 -1.622 -2.827 -4.438 520 HB VAL 60 HB VAL 60 -3.934 -2.625 -2.499 521 HG11 VAL 60 1HG1 VAL 60 -2.900 -0.483 -1.835 522 HG12 VAL 60 2HG1 VAL 60 -1.559 -0.810 -2.932 523 HG13 VAL 60 3HG1 VAL 60 -1.834 -1.857 -1.539 524 HG21 VAL 60 3HG2 VAL 60 -4.522 -0.535 -3.672 525 HG22 VAL 60 1HG2 VAL 60 -4.667 -1.953 -4.712 526 HG23 VAL 60 2HG2 VAL 60 -3.278 -0.879 -4.868 527 H LYS 61 H LYS 61 -3.545 -5.005 -2.434 528 HA LYS 61 HA LYS 61 -1.582 -5.348 -0.443 529 HB2 LYS 61 2HB LYS 61 -3.836 -7.195 -1.238 530 HB3 LYS 61 1HB LYS 61 -2.876 -7.369 0.224 531 HG2 LYS 61 2HG LYS 61 -3.672 -5.107 0.927 532 HG3 LYS 61 1HG LYS 61 -4.743 -5.102 -0.472 533 HD2 LYS 61 2HD LYS 61 -4.783 -7.123 1.781 534 HD3 LYS 61 1HD LYS 61 -5.914 -5.789 1.585 535 HE2 LYS 61 2HE LYS 61 -6.660 -6.768 -0.555 536 HE3 LYS 61 1HE LYS 61 -5.551 -8.118 -0.306 537 HZ1 LYS 61 3HZ LYS 61 -7.843 -7.416 1.459 538 HZ2 LYS 61 1HZ LYS 61 -6.782 -8.699 1.705 539 HZ3 LYS 61 2HZ LYS 61 -7.799 -8.695 0.378 540 H ASP 62 H ASP 62 -2.094 -6.860 -3.507 541 HA ASP 62 HA ASP 62 -0.409 -9.073 -3.251 542 HB2 ASP 62 2HB ASP 62 -1.859 -8.967 -5.142 543 HB3 ASP 62 1HB ASP 62 -1.170 -7.431 -5.656 544 H LYS 63 H LYS 63 0.288 -5.793 -4.362 545 HA LYS 63 HA LYS 63 3.020 -6.247 -4.936 546 HB2 LYS 63 2HB LYS 63 1.750 -3.667 -4.007 547 HB3 LYS 63 1HB LYS 63 3.313 -3.823 -4.783 548 HG2 LYS 63 2HG LYS 63 2.147 -4.646 -6.811 549 HG3 LYS 63 1HG LYS 63 0.617 -4.320 -6.001 550 HD2 LYS 63 2HD LYS 63 2.753 -2.294 -6.727 551 HD3 LYS 63 1HD LYS 63 1.178 -2.470 -7.489 552 HE2 LYS 63 2HE LYS 63 0.785 -0.678 -6.083 553 HE3 LYS 63 1HE LYS 63 0.296 -2.014 -5.050 554 HZ1 LYS 63 3HZ LYS 63 1.664 -0.579 -3.736 555 HZ2 LYS 63 1HZ LYS 63 2.825 -0.446 -4.924 556 HZ3 LYS 63 2HZ LYS 63 2.696 -1.872 -4.102 557 H LEU 64 H LEU 64 1.291 -5.186 -2.079 558 HA LEU 64 HA LEU 64 3.467 -4.576 -0.421 559 HB2 LEU 64 2HB LEU 64 0.803 -5.705 0.435 560 HB3 LEU 64 1HB LEU 64 1.936 -4.807 1.422 561 HG LEU 64 HG LEU 64 0.282 -3.728 -0.859 562 HD11 LEU 64 1HD1 LEU 64 0.191 -3.171 2.098 563 HD12 LEU 64 2HD1 LEU 64 -0.983 -4.109 1.183 564 HD13 LEU 64 3HD1 LEU 64 -0.793 -2.388 0.865 565 HD21 LEU 64 3HD2 LEU 64 2.297 -2.346 0.889 566 HD22 LEU 64 1HD2 LEU 64 1.202 -1.534 -0.236 567 HD23 LEU 64 2HD2 LEU 64 2.441 -2.631 -0.850 568 H THR 65 H THR 65 1.576 -7.532 -0.752 569 HA THR 65 HA THR 65 2.906 -9.001 1.163 570 HB THR 65 HB THR 65 1.386 -9.987 -1.258 571 HG1 THR 65 1HG THR 65 0.002 -8.808 -0.044 572 HG21 THR 65 3HG2 THR 65 2.764 -11.755 -0.232 573 HG22 THR 65 1HG2 THR 65 1.047 -12.035 0.062 574 HG23 THR 65 2HG2 THR 65 2.068 -11.384 1.345 575 H ARG 66 H ARG 66 3.450 -8.823 -2.360 576 HA ARG 66 HA ARG 66 5.458 -10.841 -2.129 577 HB2 ARG 66 2HB ARG 66 4.568 -9.231 -4.503 578 HB3 ARG 66 1HB ARG 66 5.835 -10.450 -4.576 579 HG2 ARG 66 2HG ARG 66 4.224 -12.127 -3.757 580 HG3 ARG 66 1HG ARG 66 2.960 -10.903 -3.793 581 HD2 ARG 66 2HD ARG 66 4.578 -11.814 -6.166 582 HD3 ARG 66 1HD ARG 66 2.954 -12.366 -5.783 583 HE ARG 66 HE ARG 66 2.171 -10.118 -6.131 584 HH11 ARG 66 1HH1 ARG 66 5.357 -10.921 -7.516 585 HH12 ARG 66 2HH1 ARG 66 5.359 -9.652 -8.627 586 HH21 ARG 66 1HH2 ARG 66 2.164 -8.419 -7.656 587 HH22 ARG 66 2HH2 ARG 66 3.498 -8.139 -8.718 588 H PHE 67 H PHE 67 5.544 -7.396 -2.056 589 HA PHE 67 HA PHE 67 8.319 -7.295 -2.789 590 HB2 PHE 67 2HB PHE 67 6.769 -5.429 -3.309 591 HB3 PHE 67 1HB PHE 67 6.599 -5.112 -1.593 592 HD1 PHE 67 1HD PHE 67 8.897 -4.988 -4.456 593 HD2 PHE 67 2HD PHE 67 8.304 -3.891 -0.379 594 HE1 PHE 67 1HE PHE 67 10.828 -3.470 -4.580 595 HE2 PHE 67 2HE PHE 67 10.226 -2.379 -0.502 596 HZ PHE 67 HZ PHE 67 11.493 -2.160 -2.604 597 H PHE 68 H PHE 68 6.551 -6.740 0.284 598 HA PHE 68 HA PHE 68 9.187 -6.961 1.550 599 HB2 PHE 68 2HB PHE 68 8.439 -5.365 3.275 600 HB3 PHE 68 1HB PHE 68 8.560 -4.676 1.661 601 HD1 PHE 68 2HD PHE 68 6.216 -5.930 4.217 602 HD2 PHE 68 1HD PHE 68 6.663 -3.695 0.631 603 HE1 PHE 68 2HE PHE 68 3.918 -5.108 4.443 604 HE2 PHE 68 1HE PHE 68 4.382 -2.871 0.853 605 HZ PHE 68 HZ PHE 68 3.001 -3.573 2.761 606 H LEU 69 H LEU 69 6.222 -8.508 1.464 607 HA LEU 69 HA LEU 69 6.451 -9.139 4.312 608 HB2 LEU 69 2HB LEU 69 4.279 -8.280 3.477 609 HB3 LEU 69 1HB LEU 69 4.170 -9.694 2.449 610 HG LEU 69 HG LEU 69 4.074 -11.136 4.455 611 HD11 LEU 69 1HD1 LEU 69 5.281 -9.664 5.992 612 HD12 LEU 69 2HD1 LEU 69 3.719 -10.152 6.644 613 HD13 LEU 69 3HD1 LEU 69 3.926 -8.535 5.971 614 HD21 LEU 69 3HD2 LEU 69 1.798 -10.534 5.111 615 HD22 LEU 69 1HD2 LEU 69 2.017 -10.390 3.370 616 HD23 LEU 69 2HD2 LEU 69 1.999 -8.943 4.378 617 H LEU 70 H LEU 70 5.389 -10.946 1.476 618 HA LEU 70 HA LEU 70 5.240 -13.103 0.979 619 HB2 LEU 70 2HB LEU 70 8.170 -12.921 1.590 620 HB3 LEU 70 1HB LEU 70 7.435 -14.348 0.899 621 HG LEU 70 HG LEU 70 7.574 -11.617 -0.373 622 HD11 LEU 70 1HD1 LEU 70 8.985 -12.767 -2.010 623 HD12 LEU 70 2HD1 LEU 70 8.874 -14.247 -1.057 624 HD13 LEU 70 3HD1 LEU 70 9.681 -12.828 -0.390 625 HD21 LEU 70 3HD2 LEU 70 5.472 -12.690 -0.977 626 HD22 LEU 70 1HD2 LEU 70 6.330 -14.182 -1.368 627 HD23 LEU 70 2HD2 LEU 70 6.588 -12.736 -2.337 628 H GLU 71 H GLU 71 7.228 -13.084 3.711 629 HA GLU 71 HA GLU 71 5.518 -14.965 5.079 630 HB2 GLU 71 2HB GLU 71 6.965 -16.459 3.720 631 HB3 GLU 71 1HB GLU 71 8.376 -15.768 4.510 632 HG2 GLU 71 2HG GLU 71 7.728 -17.929 5.475 633 HG3 GLU 71 1HG GLU 71 7.649 -16.607 6.643 634 H HIS 72 H HIS 72 5.255 -13.560 6.657 635 HA HIS 72 HA HIS 72 7.319 -13.354 8.665 636 HB2 HIS 72 2HB HIS 72 6.230 -10.881 7.289 637 HB3 HIS 72 1HB HIS 72 6.822 -10.824 8.939 638 HD1 HIS 72 1HD HIS 72 7.961 -10.700 5.408 639 HD2 HIS 72 2HD HIS 72 9.670 -11.279 9.146 640 HE1 HIS 72 1HE HIS 72 10.392 -10.277 5.103 641 HE2 HIS 72 2HE HIS 72 11.334 -10.340 7.407 642 H HIS 73 H HIS 73 4.616 -14.511 8.172 643 HA HIS 73 HA HIS 73 3.362 -13.587 10.590 644 HB2 HIS 73 2HB HIS 73 2.536 -11.900 8.987 645 HB3 HIS 73 1HB HIS 73 1.891 -13.172 7.967 646 HD1 HIS 73 1HD HIS 73 -0.573 -13.428 8.252 647 HD2 HIS 73 2HD HIS 73 1.254 -12.106 11.746 648 HE1 HIS 73 1HE HIS 73 -2.423 -13.077 9.891 649 HE2 HIS 73 2HE HIS 73 -1.315 -12.237 11.978 650 H HIS 74 H HIS 74 3.204 -15.683 7.731 651 HA HIS 74 HA HIS 74 1.263 -17.447 8.837 652 HB2 HIS 74 2HB HIS 74 1.727 -17.133 6.385 653 HB3 HIS 74 1HB HIS 74 3.293 -17.892 6.631 654 HD1 HIS 74 1HD HIS 74 3.309 -20.489 6.896 655 HD2 HIS 74 2HD HIS 74 -0.444 -18.835 6.290 656 HE1 HIS 74 1HE HIS 74 1.805 -22.407 6.374 657 HE2 HIS 74 2HE HIS 74 -0.451 -21.347 6.601 658 H HIS 75 H HIS 75 1.664 -19.304 10.049 659 HA HIS 75 HA HIS 75 4.496 -19.820 10.550 660 HB2 HIS 75 2HB HIS 75 2.316 -19.883 12.641 661 HB3 HIS 75 1HB HIS 75 3.951 -20.480 12.912 662 HD1 HIS 75 1HD HIS 75 1.960 -17.660 13.606 663 HD2 HIS 75 2HD HIS 75 5.865 -18.134 12.275 664 HE1 HIS 75 1HE HIS 75 3.102 -15.507 14.123 665 HE2 HIS 75 2HE HIS 75 5.518 -15.942 13.602 666 H HIS 76 H HIS 76 2.342 -21.885 12.284 667 HA HIS 76 HA HIS 76 2.960 -23.981 10.339 668 HB2 HIS 76 2HB HIS 76 2.141 -24.138 13.245 669 HB3 HIS 76 1HB HIS 76 2.152 -25.540 12.194 670 HD1 HIS 76 1HD HIS 76 4.255 -26.810 12.150 671 HD2 HIS 76 2HD HIS 76 4.856 -22.900 13.385 672 HE1 HIS 76 1HE HIS 76 6.661 -26.686 12.837 673 HE2 HIS 76 2HE HIS 76 6.872 -24.430 13.887 674 H HIS 77 H HIS 77 0.692 -21.868 10.588 675 HA HIS 77 HA HIS 77 -1.262 -23.671 9.514 676 HB2 HIS 77 2HB HIS 77 -3.136 -22.645 10.698 677 HB3 HIS 77 1HB HIS 77 -1.992 -23.222 11.894 678 HD1 HIS 77 1HD HIS 77 -3.718 -20.193 10.681 679 HD2 HIS 77 2HD HIS 77 -0.602 -21.098 13.267 680 HE1 HIS 77 1HE HIS 77 -3.362 -18.133 12.038 681 HE2 HIS 77 2HE HIS 77 -1.462 -18.690 13.590 Start of MODEL 20 1 H1 MET 1 1HT MET 1 -3.435 20.962 -2.255 2 H2 MET 1 2HT MET 1 -3.480 21.857 -3.683 3 H3 MET 1 3HT MET 1 -2.035 21.205 -3.156 4 HA MET 1 HA MET 1 -2.774 19.012 -3.550 5 HB2 MET 1 2HB MET 1 -5.131 19.283 -2.986 6 HB3 MET 1 1HB MET 1 -5.365 20.351 -4.354 7 HG2 MET 1 2HG MET 1 -6.273 18.152 -4.824 8 HG3 MET 1 1HG MET 1 -4.926 18.511 -5.896 9 HE1 MET 1 2HE MET 1 -4.703 15.602 -2.308 10 HE2 MET 1 3HE MET 1 -6.169 16.445 -2.811 11 HE3 MET 1 1HE MET 1 -4.829 17.350 -2.111 12 H LEU 2 H LEU 2 -1.376 18.678 -5.096 13 HA LEU 2 HA LEU 2 -1.512 20.226 -7.579 14 HB2 LEU 2 2HB LEU 2 0.541 18.165 -6.685 15 HB3 LEU 2 1HB LEU 2 0.653 19.159 -8.114 16 HG LEU 2 HG LEU 2 2.192 20.027 -6.602 17 HD11 LEU 2 1HD1 LEU 2 -0.227 21.774 -6.441 18 HD12 LEU 2 2HD1 LEU 2 0.995 21.744 -7.712 19 HD13 LEU 2 3HD1 LEU 2 1.428 22.271 -6.087 20 HD21 LEU 2 3HD2 LEU 2 1.483 18.950 -4.548 21 HD22 LEU 2 1HD2 LEU 2 0.060 19.990 -4.465 22 HD23 LEU 2 2HD2 LEU 2 1.665 20.683 -4.269 23 H LYS 3 H LYS 3 -1.531 18.931 -9.611 24 HA LYS 3 HA LYS 3 -3.312 16.705 -9.292 25 HB2 LYS 3 2HB LYS 3 -3.285 16.524 -11.787 26 HB3 LYS 3 1HB LYS 3 -3.753 18.111 -11.201 27 HG2 LYS 3 2HG LYS 3 -1.720 19.075 -11.864 28 HG3 LYS 3 1HG LYS 3 -0.941 17.506 -12.071 29 HD2 LYS 3 2HD LYS 3 -1.485 18.518 -14.234 30 HD3 LYS 3 1HD LYS 3 -2.401 17.037 -13.977 31 HE2 LYS 3 2HE LYS 3 -3.829 18.724 -14.952 32 HE3 LYS 3 1HE LYS 3 -4.345 18.382 -13.311 33 HZ1 LYS 3 3HZ LYS 3 -2.610 20.683 -14.017 34 HZ2 LYS 3 1HZ LYS 3 -3.390 20.415 -12.551 35 HZ3 LYS 3 2HZ LYS 3 -4.279 20.784 -13.935 36 H HIS 4 H HIS 4 -2.588 14.887 -8.597 37 HA HIS 4 HA HIS 4 -0.994 13.159 -10.027 38 HB2 HIS 4 2HB HIS 4 1.106 12.976 -8.769 39 HB3 HIS 4 1HB HIS 4 0.968 14.603 -9.404 40 HD1 HIS 4 1HD HIS 4 2.202 13.021 -6.592 41 HD2 HIS 4 2HD HIS 4 -0.301 16.276 -7.078 42 HE1 HIS 4 1HE HIS 4 2.251 14.229 -4.392 43 HE2 HIS 4 2HE HIS 4 0.478 15.985 -4.649 44 H GLY 5 H GLY 5 -2.071 14.203 -6.862 45 HA2 GLY 5 2HA GLY 5 -3.626 12.568 -5.843 46 HA3 GLY 5 1HA GLY 5 -2.330 11.408 -6.100 47 H LYS 6 H LYS 6 -2.151 10.986 -3.998 48 HA LYS 6 HA LYS 6 -1.033 13.123 -2.270 49 HB2 LYS 6 2HB LYS 6 -2.907 10.909 -1.430 50 HB3 LYS 6 1HB LYS 6 -2.171 12.085 -0.362 51 HG2 LYS 6 2HG LYS 6 -3.445 13.859 -1.367 52 HG3 LYS 6 1HG LYS 6 -4.097 12.750 -2.578 53 HD2 LYS 6 2HD LYS 6 -5.153 11.437 -0.775 54 HD3 LYS 6 1HD LYS 6 -4.528 12.585 0.408 55 HE2 LYS 6 2HE LYS 6 -5.838 14.363 -0.579 56 HE3 LYS 6 1HE LYS 6 -6.397 13.284 -1.854 57 HZ1 LYS 6 3HZ LYS 6 -6.932 12.896 1.033 58 HZ2 LYS 6 1HZ LYS 6 -7.563 11.974 -0.222 59 HZ3 LYS 6 2HZ LYS 6 -8.021 13.592 -0.032 60 H TYR 7 H TYR 7 0.446 12.346 -0.667 61 HA TYR 7 HA TYR 7 1.378 9.589 -1.024 62 HB2 TYR 7 2HB TYR 7 2.832 12.087 -0.168 63 HB3 TYR 7 1HB TYR 7 3.399 10.502 0.333 64 HD1 TYR 7 2HD TYR 7 4.298 8.942 -1.285 65 HD2 TYR 7 1HD TYR 7 3.085 12.844 -2.461 66 HE1 TYR 7 2HE TYR 7 5.581 8.698 -3.356 67 HE2 TYR 7 1HE TYR 7 4.359 12.610 -4.558 68 HH TYR 7 HH TYR 7 6.316 11.280 -5.346 69 H VAL 8 H VAL 8 0.654 8.321 0.486 70 HA VAL 8 HA VAL 8 0.417 9.312 3.209 71 HB VAL 8 HB VAL 8 -1.759 8.210 3.543 72 HG11 VAL 8 1HG1 VAL 8 -3.199 9.752 2.358 73 HG12 VAL 8 2HG1 VAL 8 -1.905 10.113 1.220 74 HG13 VAL 8 3HG1 VAL 8 -1.738 10.576 2.911 75 HG21 VAL 8 3HG2 VAL 8 -3.085 7.392 1.640 76 HG22 VAL 8 1HG2 VAL 8 -1.604 6.460 1.869 77 HG23 VAL 8 2HG2 VAL 8 -1.699 7.660 0.581 78 H TYR 9 H TYR 9 -0.407 7.060 4.493 79 HA TYR 9 HA TYR 9 1.585 5.090 3.615 80 HB2 TYR 9 2HB TYR 9 1.072 6.005 6.453 81 HB3 TYR 9 1HB TYR 9 2.127 4.676 5.989 82 HD1 TYR 9 1HD TYR 9 4.190 5.158 4.703 83 HD2 TYR 9 2HD TYR 9 1.776 8.269 6.306 84 HE1 TYR 9 1HE TYR 9 6.029 6.739 4.392 85 HE2 TYR 9 2HE TYR 9 3.614 9.860 6.002 86 HH TYR 9 HH TYR 9 6.105 9.783 5.792 87 H ILE 10 H ILE 10 1.075 2.982 3.909 88 HA ILE 10 HA ILE 10 -1.712 2.439 4.581 89 HB ILE 10 HB ILE 10 0.429 0.530 3.599 90 HG12 ILE 10 2HG1 ILE 10 -0.096 2.079 1.837 91 HG13 ILE 10 1HG1 ILE 10 -0.856 0.541 1.455 92 HG21 ILE 10 1HG2 ILE 10 -2.516 0.027 3.940 93 HG22 ILE 10 2HG2 ILE 10 -1.208 -0.687 4.883 94 HG23 ILE 10 3HG2 ILE 10 -1.375 -1.075 3.168 95 HD11 ILE 10 3HD1 ILE 10 -2.421 2.250 0.924 96 HD12 ILE 10 1HD1 ILE 10 -2.157 3.041 2.484 97 HD13 ILE 10 2HD1 ILE 10 -2.967 1.491 2.421 98 H ASP 11 H ASP 11 -2.350 1.528 6.380 99 HA ASP 11 HA ASP 11 -0.510 1.487 8.561 100 HB2 ASP 11 2HB ASP 11 -2.722 2.390 8.961 101 HB3 ASP 11 1HB ASP 11 -3.469 0.873 8.491 102 H LEU 12 H LEU 12 0.863 -0.103 7.908 103 HA LEU 12 HA LEU 12 0.071 -2.875 7.990 104 HB2 LEU 12 2HB LEU 12 2.814 -1.647 8.327 105 HB3 LEU 12 1HB LEU 12 2.484 -3.334 8.023 106 HG LEU 12 HG LEU 12 1.915 -1.098 6.079 107 HD11 LEU 12 1HD1 LEU 12 4.308 -1.398 6.456 108 HD12 LEU 12 2HD1 LEU 12 3.838 -1.962 4.853 109 HD13 LEU 12 3HD1 LEU 12 4.144 -3.125 6.144 110 HD21 LEU 12 3HD2 LEU 12 0.450 -3.031 5.833 111 HD22 LEU 12 1HD2 LEU 12 1.851 -4.101 5.741 112 HD23 LEU 12 2HD2 LEU 12 1.576 -2.899 4.477 113 H ASN 13 H ASN 13 1.219 -0.437 10.028 114 HA ASN 13 HA ASN 13 1.061 0.015 12.235 115 HB2 ASN 13 2HB ASN 13 -1.134 -1.037 12.176 116 HB3 ASN 13 1HB ASN 13 -0.407 -2.615 12.451 117 HD21 ASN 13 1HD2 ASN 13 -1.249 0.417 13.853 118 HD22 ASN 13 2HD2 ASN 13 -1.039 -0.052 15.501 119 H ASN 14 H ASN 14 2.538 -2.895 11.329 120 HA ASN 14 HA ASN 14 3.509 -3.691 13.917 121 HB2 ASN 14 2HB ASN 14 4.707 -5.491 12.724 122 HB3 ASN 14 1HB ASN 14 2.999 -5.404 12.315 123 HD21 ASN 14 1HD2 ASN 14 2.401 -4.890 10.220 124 HD22 ASN 14 2HD2 ASN 14 3.542 -4.826 8.929 125 H GLY 15 H GLY 15 4.412 -1.168 12.627 126 HA2 GLY 15 2HA GLY 15 6.350 0.027 13.546 127 HA3 GLY 15 1HA GLY 15 7.236 -1.491 13.503 128 H LYS 16 H LYS 16 5.651 -1.409 10.713 129 HA LYS 16 HA LYS 16 7.371 0.486 9.400 130 HB2 LYS 16 2HB LYS 16 7.795 -1.090 7.518 131 HB3 LYS 16 1HB LYS 16 8.565 -1.594 9.007 132 HG2 LYS 16 2HG LYS 16 6.876 -3.298 9.341 133 HG3 LYS 16 1HG LYS 16 5.998 -2.738 7.912 134 HD2 LYS 16 2HD LYS 16 7.838 -3.353 6.479 135 HD3 LYS 16 1HD LYS 16 8.840 -3.746 7.868 136 HE2 LYS 16 2HE LYS 16 6.293 -5.180 7.112 137 HE3 LYS 16 1HE LYS 16 7.917 -5.745 6.729 138 HZ1 LYS 16 3HZ LYS 16 7.102 -6.846 8.698 139 HZ2 LYS 16 1HZ LYS 16 6.797 -5.381 9.473 140 HZ3 LYS 16 2HZ LYS 16 8.371 -5.846 9.124 141 H TYR 17 H TYR 17 6.468 1.375 7.646 142 HA TYR 17 HA TYR 17 3.683 0.675 7.035 143 HB2 TYR 17 2HB TYR 17 4.796 3.362 7.836 144 HB3 TYR 17 1HB TYR 17 3.390 3.253 6.788 145 HD1 TYR 17 2HD TYR 17 4.555 1.803 10.059 146 HD2 TYR 17 1HD TYR 17 1.350 3.441 7.805 147 HE1 TYR 17 2HE TYR 17 3.076 1.602 12.014 148 HE2 TYR 17 1HE TYR 17 -0.124 3.252 9.755 149 HH TYR 17 HH TYR 17 -0.290 1.948 11.760 150 H VAL 18 H VAL 18 3.132 1.135 4.876 151 HA VAL 18 HA VAL 18 5.511 1.581 3.267 152 HB VAL 18 HB VAL 18 4.495 -0.534 2.674 153 HG11 VAL 18 1HG1 VAL 18 2.303 -0.191 3.561 154 HG12 VAL 18 2HG1 VAL 18 2.213 -0.756 1.892 155 HG13 VAL 18 3HG1 VAL 18 1.929 0.946 2.265 156 HG21 VAL 18 3HG2 VAL 18 5.354 0.738 0.787 157 HG22 VAL 18 1HG2 VAL 18 3.782 1.505 0.572 158 HG23 VAL 18 2HG2 VAL 18 3.959 -0.229 0.306 159 H LYS 19 H LYS 19 5.739 3.191 1.959 160 HA LYS 19 HA LYS 19 3.951 5.436 2.277 161 HB2 LYS 19 2HB LYS 19 6.533 5.458 2.283 162 HB3 LYS 19 1HB LYS 19 6.408 5.256 0.543 163 HG2 LYS 19 2HG LYS 19 5.025 7.339 0.489 164 HG3 LYS 19 1HG LYS 19 5.423 7.566 2.192 165 HD2 LYS 19 2HD LYS 19 7.863 7.376 1.486 166 HD3 LYS 19 1HD LYS 19 7.281 7.541 -0.170 167 HE2 LYS 19 2HE LYS 19 7.870 9.711 0.497 168 HE3 LYS 19 1HE LYS 19 6.118 9.645 0.591 169 HZ1 LYS 19 3HZ LYS 19 7.052 10.718 2.577 170 HZ2 LYS 19 1HZ LYS 19 7.963 9.362 2.909 171 HZ3 LYS 19 2HZ LYS 19 6.321 9.280 3.054 172 H VAL 20 H VAL 20 2.265 5.541 0.939 173 HA VAL 20 HA VAL 20 2.603 4.354 -1.698 174 HB VAL 20 HB VAL 20 1.121 3.008 -0.287 175 HG11 VAL 20 1HG1 VAL 20 -0.589 5.458 -0.103 176 HG12 VAL 20 2HG1 VAL 20 0.265 4.654 1.215 177 HG13 VAL 20 3HG1 VAL 20 -1.077 3.842 0.405 178 HG21 VAL 20 3HG2 VAL 20 -0.323 4.418 -2.537 179 HG22 VAL 20 1HG2 VAL 20 -0.841 2.902 -1.791 180 HG23 VAL 20 2HG2 VAL 20 0.685 2.971 -2.659 181 H ARG 21 H ARG 21 2.278 5.567 -3.326 182 HA ARG 21 HA ARG 21 1.210 8.231 -2.977 183 HB2 ARG 21 2HB ARG 21 3.274 8.049 -4.270 184 HB3 ARG 21 1HB ARG 21 2.518 6.902 -5.367 185 HG2 ARG 21 2HG ARG 21 1.007 8.613 -6.173 186 HG3 ARG 21 1HG ARG 21 1.659 9.766 -5.009 187 HD2 ARG 21 2HD ARG 21 2.563 10.107 -7.239 188 HD3 ARG 21 1HD ARG 21 3.832 9.668 -6.094 189 HE ARG 21 HE ARG 21 2.611 7.711 -7.902 190 HH11 ARG 21 1HH1 ARG 21 5.551 9.319 -6.627 191 HH12 ARG 21 2HH1 ARG 21 6.615 8.429 -7.608 192 HH21 ARG 21 1HH2 ARG 21 4.133 6.489 -9.249 193 HH22 ARG 21 2HH2 ARG 21 5.788 6.778 -9.130 194 H ILE 22 H ILE 22 -0.825 8.485 -3.246 195 HA ILE 22 HA ILE 22 -2.484 6.486 -4.568 196 HB ILE 22 HB ILE 22 -3.420 9.126 -3.415 197 HG12 ILE 22 2HG1 ILE 22 -2.124 8.092 -1.625 198 HG13 ILE 22 1HG1 ILE 22 -3.837 8.010 -1.250 199 HG21 ILE 22 1HG2 ILE 22 -4.804 6.483 -3.749 200 HG22 ILE 22 2HG2 ILE 22 -5.023 7.928 -4.738 201 HG23 ILE 22 3HG2 ILE 22 -5.516 7.935 -3.042 202 HD11 ILE 22 3HD1 ILE 22 -2.721 5.964 -0.645 203 HD12 ILE 22 1HD1 ILE 22 -2.122 5.782 -2.295 204 HD13 ILE 22 2HD1 ILE 22 -3.851 5.679 -1.972 205 H LEU 23 H LEU 23 -2.570 6.736 -6.764 206 HA LEU 23 HA LEU 23 -2.147 9.333 -7.959 207 HB2 LEU 23 2HB LEU 23 -3.095 6.748 -9.207 208 HB3 LEU 23 1HB LEU 23 -2.480 8.152 -10.060 209 HG LEU 23 HG LEU 23 -0.868 6.347 -8.257 210 HD11 LEU 23 1HD1 LEU 23 -0.909 6.599 -11.257 211 HD12 LEU 23 2HD1 LEU 23 -1.529 5.242 -10.311 212 HD13 LEU 23 3HD1 LEU 23 0.197 5.593 -10.317 213 HD21 LEU 23 3HD2 LEU 23 -0.018 8.655 -10.012 214 HD22 LEU 23 1HD2 LEU 23 1.065 7.580 -9.128 215 HD23 LEU 23 2HD2 LEU 23 -0.033 8.646 -8.250 216 H LYS 24 H LYS 24 -3.775 10.696 -7.836 217 HA LYS 24 HA LYS 24 -6.516 9.616 -7.771 218 HB2 LYS 24 2HB LYS 24 -5.715 10.670 -5.669 219 HB3 LYS 24 1HB LYS 24 -5.454 12.162 -6.554 220 HG2 LYS 24 2HG LYS 24 -7.831 12.365 -6.968 221 HG3 LYS 24 1HG LYS 24 -8.124 10.839 -6.123 222 HD2 LYS 24 2HD LYS 24 -7.076 11.822 -4.094 223 HD3 LYS 24 1HD LYS 24 -6.955 13.360 -4.947 224 HE2 LYS 24 2HE LYS 24 -8.902 13.284 -3.465 225 HE3 LYS 24 1HE LYS 24 -9.379 13.453 -5.153 226 HZ1 LYS 24 3HZ LYS 24 -10.017 11.221 -5.240 227 HZ2 LYS 24 1HZ LYS 24 -10.685 11.797 -3.813 228 HZ3 LYS 24 2HZ LYS 24 -9.283 10.802 -3.817 229 H SER 25 H SER 25 -7.287 9.860 -9.746 230 HA SER 25 HA SER 25 -6.767 12.371 -11.165 231 HB2 SER 25 2HB SER 25 -8.021 9.844 -12.253 232 HB3 SER 25 1HB SER 25 -7.416 11.215 -13.169 233 HG SER 25 HG SER 25 -5.333 10.598 -11.911 234 H ARG 26 H ARG 26 -8.239 13.808 -10.371 235 HA ARG 26 HA ARG 26 -11.041 13.034 -10.110 236 HB2 ARG 26 2HB ARG 26 -9.795 15.774 -9.748 237 HB3 ARG 26 1HB ARG 26 -11.453 15.345 -9.371 238 HG2 ARG 26 2HG ARG 26 -10.550 13.714 -7.690 239 HG3 ARG 26 1HG ARG 26 -8.958 14.422 -7.978 240 HD2 ARG 26 2HD ARG 26 -11.416 15.839 -6.943 241 HD3 ARG 26 1HD ARG 26 -9.964 15.451 -6.029 242 HE ARG 26 HE ARG 26 -9.302 17.046 -8.260 243 HH11 ARG 26 1HH1 ARG 26 -10.798 17.324 -5.041 244 HH12 ARG 26 2HH1 ARG 26 -10.522 19.004 -4.941 245 HH21 ARG 26 1HH2 ARG 26 -8.942 19.296 -8.091 246 HH22 ARG 26 2HH2 ARG 26 -9.455 20.163 -6.717 247 H ASP 27 H ASP 27 -8.916 14.442 -12.312 248 HA ASP 27 HA ASP 27 -10.468 15.941 -14.045 249 HB2 ASP 27 2HB ASP 27 -8.047 15.763 -14.278 250 HB3 ASP 27 1HB ASP 27 -8.188 14.051 -14.656 251 H ASP 28 H ASP 28 -9.986 12.483 -13.891 252 HA ASP 28 HA ASP 28 -11.771 11.931 -16.087 253 HB2 ASP 28 2HB ASP 28 -9.849 10.421 -15.483 254 HB3 ASP 28 1HB ASP 28 -10.699 10.012 -13.993 255 H ASN 29 H ASN 29 -11.847 11.073 -12.642 256 HA ASN 29 HA ASN 29 -14.114 12.407 -11.951 257 HB2 ASN 29 2HB ASN 29 -15.946 10.752 -11.763 258 HB3 ASN 29 1HB ASN 29 -15.432 10.829 -13.429 259 HD21 ASN 29 1HD2 ASN 29 -16.948 8.804 -12.177 260 HD22 ASN 29 2HD2 ASN 29 -16.105 7.311 -12.274 261 H SER 30 H SER 30 -13.231 9.114 -11.145 262 HA SER 30 HA SER 30 -11.927 9.987 -8.754 263 HB2 SER 30 2HB SER 30 -14.428 8.285 -8.664 264 HB3 SER 30 1HB SER 30 -13.283 8.403 -7.327 265 HG SER 30 HG SER 30 -14.712 10.572 -8.499 266 H VAL 31 H VAL 31 -10.269 9.107 -10.152 267 HA VAL 31 HA VAL 31 -10.215 6.180 -9.991 268 HB VAL 31 HB VAL 31 -8.478 7.985 -11.702 269 HG11 VAL 31 1HG1 VAL 31 -7.738 5.896 -12.778 270 HG12 VAL 31 2HG1 VAL 31 -8.694 4.975 -11.618 271 HG13 VAL 31 3HG1 VAL 31 -7.337 5.931 -11.060 272 HG21 VAL 31 3HG2 VAL 31 -10.781 6.214 -12.522 273 HG22 VAL 31 1HG2 VAL 31 -9.726 7.097 -13.623 274 HG23 VAL 31 2HG2 VAL 31 -10.785 7.976 -12.520 275 H GLU 32 H GLU 32 -9.300 5.717 -8.098 276 HA GLU 32 HA GLU 32 -6.826 7.126 -7.550 277 HB2 GLU 32 2HB GLU 32 -8.638 5.792 -5.528 278 HB3 GLU 32 1HB GLU 32 -7.111 6.589 -5.171 279 HG2 GLU 32 2HG GLU 32 -8.113 8.686 -6.144 280 HG3 GLU 32 1HG GLU 32 -9.660 7.842 -6.152 281 H LYS 33 H LYS 33 -5.377 6.013 -8.381 282 HA LYS 33 HA LYS 33 -5.356 3.123 -7.997 283 HB2 LYS 33 2HB LYS 33 -4.081 4.874 -10.062 284 HB3 LYS 33 1HB LYS 33 -3.333 3.337 -9.668 285 HG2 LYS 33 2HG LYS 33 -6.138 3.749 -10.713 286 HG3 LYS 33 1HG LYS 33 -4.757 3.115 -11.622 287 HD2 LYS 33 2HD LYS 33 -4.619 1.289 -9.847 288 HD3 LYS 33 1HD LYS 33 -6.186 1.903 -9.298 289 HE2 LYS 33 2HE LYS 33 -7.173 1.416 -11.457 290 HE3 LYS 33 1HE LYS 33 -5.620 0.823 -12.048 291 HZ1 LYS 33 3HZ LYS 33 -5.745 -0.959 -10.283 292 HZ2 LYS 33 1HZ LYS 33 -7.032 -1.005 -11.361 293 HZ3 LYS 33 2HZ LYS 33 -7.250 -0.359 -9.866 294 H TYR 34 H TYR 34 -4.033 2.245 -6.702 295 HA TYR 34 HA TYR 34 -2.276 3.943 -5.205 296 HB2 TYR 34 2HB TYR 34 -2.881 0.983 -4.940 297 HB3 TYR 34 1HB TYR 34 -1.985 1.953 -3.775 298 HD1 TYR 34 1HD TYR 34 -3.132 3.577 -2.365 299 HD2 TYR 34 2HD TYR 34 -5.349 1.200 -5.102 300 HE1 TYR 34 1HE TYR 34 -5.222 4.245 -1.251 301 HE2 TYR 34 2HE TYR 34 -7.443 1.854 -3.978 302 HH TYR 34 HH TYR 34 -7.581 4.416 -1.767 303 H VAL 35 H VAL 35 -0.085 3.793 -5.220 304 HA VAL 35 HA VAL 35 1.000 3.224 -7.735 305 HB VAL 35 HB VAL 35 1.730 5.036 -6.189 306 HG11 VAL 35 1HG1 VAL 35 1.871 3.844 -4.135 307 HG12 VAL 35 2HG1 VAL 35 3.442 4.560 -4.508 308 HG13 VAL 35 3HG1 VAL 35 3.167 2.832 -4.770 309 HG21 VAL 35 3HG2 VAL 35 4.129 4.949 -6.797 310 HG22 VAL 35 1HG2 VAL 35 3.064 4.543 -8.144 311 HG23 VAL 35 2HG2 VAL 35 3.918 3.266 -7.284 312 H LEU 36 H LEU 36 2.599 1.816 -8.354 313 HA LEU 36 HA LEU 36 2.452 -0.825 -7.279 314 HB2 LEU 36 2HB LEU 36 3.518 0.415 -9.714 315 HB3 LEU 36 1HB LEU 36 4.377 -1.011 -9.177 316 HG LEU 36 HG LEU 36 2.353 -2.342 -9.346 317 HD11 LEU 36 1HD1 LEU 36 0.710 -0.688 -8.705 318 HD12 LEU 36 2HD1 LEU 36 0.293 -1.471 -10.220 319 HD13 LEU 36 3HD1 LEU 36 0.949 0.174 -10.233 320 HD21 LEU 36 3HD2 LEU 36 3.722 -2.104 -11.329 321 HD22 LEU 36 1HD2 LEU 36 2.818 -0.664 -11.801 322 HD23 LEU 36 2HD2 LEU 36 2.018 -2.239 -11.761 323 H THR 37 H THR 37 4.319 1.704 -6.307 324 HA THR 37 HA THR 37 6.610 -0.008 -5.834 325 HB THR 37 HB THR 37 7.033 2.391 -6.573 326 HG1 THR 37 1HG THR 37 8.712 1.442 -5.538 327 HG21 THR 37 3HG2 THR 37 6.044 3.069 -3.796 328 HG22 THR 37 1HG2 THR 37 5.248 3.503 -5.309 329 HG23 THR 37 2HG2 THR 37 6.824 4.188 -4.912 330 H SER 38 H SER 38 7.334 -0.371 -3.661 331 HA SER 38 HA SER 38 5.127 -0.243 -1.761 332 HB2 SER 38 2HB SER 38 6.843 -2.646 -2.370 333 HB3 SER 38 1HB SER 38 5.526 -2.576 -1.197 334 HG SER 38 HG SER 38 4.451 -1.696 -3.329 335 H HIS 39 H HIS 39 7.614 1.302 -2.031 336 HA HIS 39 HA HIS 39 9.586 0.529 -0.196 337 HB2 HIS 39 2HB HIS 39 8.765 3.235 -1.186 338 HB3 HIS 39 1HB HIS 39 9.943 3.106 0.107 339 HD1 HIS 39 1HD HIS 39 12.334 2.608 -0.574 340 HD2 HIS 39 2HD HIS 39 9.629 2.043 -3.676 341 HE1 HIS 39 1HE HIS 39 13.722 2.246 -2.616 342 HE2 HIS 39 2HE HIS 39 12.069 2.093 -4.500 343 H VAL 40 H VAL 40 9.594 0.197 1.840 344 HA VAL 40 HA VAL 40 7.429 1.262 3.457 345 HB VAL 40 HB VAL 40 8.158 -0.541 5.146 346 HG11 VAL 40 1HG1 VAL 40 6.850 -2.258 3.968 347 HG12 VAL 40 2HG1 VAL 40 6.952 -1.294 2.491 348 HG13 VAL 40 3HG1 VAL 40 6.110 -0.662 3.912 349 HG21 VAL 40 3HG2 VAL 40 10.306 -1.095 4.098 350 HG22 VAL 40 1HG2 VAL 40 9.459 -1.657 2.658 351 HG23 VAL 40 2HG2 VAL 40 9.252 -2.507 4.186 352 H SER 41 H SER 41 7.684 2.501 5.042 353 HA SER 41 HA SER 41 10.297 3.521 5.728 354 HB2 SER 41 2HB SER 41 7.529 4.320 6.662 355 HB3 SER 41 1HB SER 41 9.012 5.266 6.814 356 HG SER 41 HG SER 41 8.932 4.777 4.332 357 H LYS 42 H LYS 42 11.161 3.184 7.754 358 HA LYS 42 HA LYS 42 10.136 0.910 9.254 359 HB2 LYS 42 2HB LYS 42 12.560 1.235 8.528 360 HB3 LYS 42 1HB LYS 42 12.642 2.544 9.678 361 HG2 LYS 42 2HG LYS 42 12.247 1.017 11.520 362 HG3 LYS 42 1HG LYS 42 12.069 -0.324 10.388 363 HD2 LYS 42 2HD LYS 42 14.365 -0.007 9.641 364 HD3 LYS 42 1HD LYS 42 14.554 1.352 10.749 365 HE2 LYS 42 2HE LYS 42 15.541 -0.705 11.652 366 HE3 LYS 42 1HE LYS 42 14.217 -0.125 12.653 367 HZ1 LYS 42 3HZ LYS 42 14.154 -2.528 12.308 368 HZ2 LYS 42 1HZ LYS 42 14.041 -2.307 10.649 369 HZ3 LYS 42 2HZ LYS 42 12.776 -1.814 11.666 370 H ASN 43 H ASN 43 8.970 3.729 9.310 371 HA ASN 43 HA ASN 43 9.227 4.236 12.190 372 HB2 ASN 43 2HB ASN 43 8.889 6.390 10.089 373 HB3 ASN 43 1HB ASN 43 9.254 6.604 11.799 374 HD21 ASN 43 1HD2 ASN 43 11.377 6.064 12.523 375 HD22 ASN 43 2HD2 ASN 43 12.701 5.947 11.422 376 H ARG 44 H ARG 44 7.346 4.794 13.216 377 HA ARG 44 HA ARG 44 4.880 4.288 11.784 378 HB2 ARG 44 2HB ARG 44 5.531 4.712 14.704 379 HB3 ARG 44 1HB ARG 44 3.884 4.592 14.112 380 HG2 ARG 44 2HG ARG 44 4.272 2.335 13.363 381 HG3 ARG 44 1HG ARG 44 5.978 2.445 13.793 382 HD2 ARG 44 2HD ARG 44 5.455 2.606 16.116 383 HD3 ARG 44 1HD ARG 44 3.745 2.808 15.778 384 HE ARG 44 HE ARG 44 3.626 0.517 15.147 385 HH11 ARG 44 1HH1 ARG 44 6.796 1.330 16.479 386 HH12 ARG 44 2HH1 ARG 44 7.051 -0.177 17.209 387 HH21 ARG 44 1HH2 ARG 44 3.970 -1.593 16.161 388 HH22 ARG 44 2HH2 ARG 44 5.401 -1.882 17.021 389 HA PRO 45 HA PRO 45 4.480 8.751 11.098 390 HB2 PRO 45 2HB PRO 45 1.779 7.905 10.208 391 HB3 PRO 45 1HB PRO 45 2.995 8.868 9.358 392 HG2 PRO 45 2HG PRO 45 2.519 6.352 8.644 393 HG3 PRO 45 1HG PRO 45 4.162 7.011 8.643 394 HD2 PRO 45 2HD PRO 45 2.848 5.211 10.642 395 HD3 PRO 45 1HD PRO 45 4.503 5.171 9.993 396 H LYS 46 H LYS 46 3.881 10.144 12.574 397 HA LYS 46 HA LYS 46 2.073 9.361 14.686 398 HB2 LYS 46 2HB LYS 46 3.643 11.915 14.282 399 HB3 LYS 46 1HB LYS 46 2.790 11.453 15.744 400 HG2 LYS 46 2HG LYS 46 4.282 9.537 16.022 401 HG3 LYS 46 1HG LYS 46 5.133 9.981 14.543 402 HD2 LYS 46 2HD LYS 46 6.395 10.733 16.469 403 HD3 LYS 46 1HD LYS 46 5.760 12.132 15.608 404 HE2 LYS 46 2HE LYS 46 3.945 12.315 17.232 405 HE3 LYS 46 1HE LYS 46 4.538 10.879 18.067 406 HZ1 LYS 46 3HZ LYS 46 5.216 12.909 19.145 407 HZ2 LYS 46 1HZ LYS 46 6.013 13.438 17.762 408 HZ3 LYS 46 2HZ LYS 46 6.569 12.081 18.581 409 H ASN 47 H ASN 47 2.311 11.775 12.145 410 HA ASN 47 HA ASN 47 -0.583 12.059 12.231 411 HB2 ASN 47 2HB ASN 47 0.334 13.987 13.507 412 HB3 ASN 47 1HB ASN 47 1.338 14.411 12.136 413 HD21 ASN 47 1HD2 ASN 47 -0.780 15.895 13.586 414 HD22 ASN 47 2HD2 ASN 47 -1.919 16.365 12.372 415 H ALA 48 H ALA 48 -0.861 10.938 10.406 416 HA ALA 48 HA ALA 48 -0.389 12.236 7.931 417 HB1 ALA 48 1HB ALA 48 0.841 10.369 6.887 418 HB2 ALA 48 2HB ALA 48 0.964 9.571 8.455 419 HB3 ALA 48 3HB ALA 48 1.792 11.105 8.177 420 H ILE 49 H ILE 49 -1.553 10.977 6.218 421 HA ILE 49 HA ILE 49 -3.891 9.775 7.373 422 HB ILE 49 HB ILE 49 -3.153 10.093 4.461 423 HG12 ILE 49 2HG1 ILE 49 -3.049 12.280 5.474 424 HG13 ILE 49 1HG1 ILE 49 -4.511 12.170 4.504 425 HG21 ILE 49 1HG2 ILE 49 -5.569 10.010 4.066 426 HG22 ILE 49 2HG2 ILE 49 -5.842 9.771 5.793 427 HG23 ILE 49 3HG2 ILE 49 -4.993 8.540 4.857 428 HD11 ILE 49 3HD1 ILE 49 -5.830 11.839 6.506 429 HD12 ILE 49 1HD1 ILE 49 -4.869 13.318 6.601 430 HD13 ILE 49 2HD1 ILE 49 -4.362 11.884 7.493 431 H VAL 50 H VAL 50 -4.088 7.674 7.666 432 HA VAL 50 HA VAL 50 -2.384 5.943 6.064 433 HB VAL 50 HB VAL 50 -2.379 4.298 7.905 434 HG11 VAL 50 1HG1 VAL 50 -0.538 5.850 7.684 435 HG12 VAL 50 2HG1 VAL 50 -0.837 5.507 9.386 436 HG13 VAL 50 3HG1 VAL 50 -1.396 7.029 8.672 437 HG21 VAL 50 3HG2 VAL 50 -3.108 4.951 10.161 438 HG22 VAL 50 1HG2 VAL 50 -4.463 4.944 9.030 439 HG23 VAL 50 2HG2 VAL 50 -3.728 6.473 9.520 440 H ILE 51 H ILE 51 -3.217 4.226 5.134 441 HA ILE 51 HA ILE 51 -6.133 3.860 5.309 442 HB ILE 51 HB ILE 51 -4.244 3.159 3.014 443 HG12 ILE 51 2HG1 ILE 51 -6.326 5.358 3.191 444 HG13 ILE 51 1HG1 ILE 51 -4.587 5.597 3.277 445 HG21 ILE 51 1HG2 ILE 51 -6.155 1.624 3.168 446 HG22 ILE 51 2HG2 ILE 51 -6.252 2.637 1.729 447 HG23 ILE 51 3HG2 ILE 51 -7.258 3.001 3.129 448 HD11 ILE 51 3HD1 ILE 51 -4.367 4.783 0.983 449 HD12 ILE 51 1HD1 ILE 51 -5.451 6.166 1.082 450 HD13 ILE 51 2HD1 ILE 51 -6.112 4.540 0.905 451 H LYS 52 H LYS 52 -6.789 1.877 5.988 452 HA LYS 52 HA LYS 52 -4.703 0.192 7.057 453 HB2 LYS 52 2HB LYS 52 -6.730 0.845 8.343 454 HB3 LYS 52 1HB LYS 52 -7.694 -0.148 7.265 455 HG2 LYS 52 2HG LYS 52 -6.498 -2.126 7.977 456 HG3 LYS 52 1HG LYS 52 -5.467 -1.152 9.025 457 HD2 LYS 52 2HD LYS 52 -8.467 -1.412 9.281 458 HD3 LYS 52 1HD LYS 52 -7.289 -2.288 10.254 459 HE2 LYS 52 2HE LYS 52 -7.548 0.726 10.157 460 HE3 LYS 52 1HE LYS 52 -8.230 -0.308 11.400 461 HZ1 LYS 52 3HZ LYS 52 -5.300 -0.033 10.831 462 HZ2 LYS 52 1HZ LYS 52 -6.019 -1.026 11.982 463 HZ3 LYS 52 2HZ LYS 52 -6.142 0.648 12.111 464 H MET 53 H MET 53 -4.434 -2.018 6.665 465 HA MET 53 HA MET 53 -4.036 -2.663 4.027 466 HB2 MET 53 2HB MET 53 -4.257 -4.548 6.374 467 HB3 MET 53 1HB MET 53 -3.586 -4.974 4.807 468 HG2 MET 53 2HG MET 53 -1.821 -3.315 5.097 469 HG3 MET 53 1HG MET 53 -2.508 -2.840 6.646 470 HE1 MET 53 3HE MET 53 -2.055 -6.501 5.146 471 HE2 MET 53 1HE MET 53 -0.488 -6.919 5.842 472 HE3 MET 53 2HE MET 53 -0.603 -5.624 4.648 473 H ASP 54 H ASP 54 -6.733 -3.551 6.021 474 HA ASP 54 HA ASP 54 -7.995 -5.491 4.442 475 HB2 ASP 54 2HB ASP 54 -8.566 -4.934 6.791 476 HB3 ASP 54 1HB ASP 54 -9.294 -3.435 6.236 477 H ASN 55 H ASN 55 -7.998 -2.001 4.159 478 HA ASN 55 HA ASN 55 -10.384 -1.877 2.533 479 HB2 ASN 55 2HB ASN 55 -9.816 -0.091 4.149 480 HB3 ASN 55 1HB ASN 55 -8.379 0.288 3.214 481 HD21 ASN 55 1HD2 ASN 55 -9.011 2.360 2.805 482 HD22 ASN 55 2HD2 ASN 55 -10.284 2.787 1.721 483 H LEU 56 H LEU 56 -7.084 -2.418 1.897 484 HA LEU 56 HA LEU 56 -7.005 -1.059 -0.610 485 HB2 LEU 56 2HB LEU 56 -5.097 -3.025 0.639 486 HB3 LEU 56 1HB LEU 56 -4.877 -2.449 -0.994 487 HG LEU 56 HG LEU 56 -3.423 -1.239 0.458 488 HD11 LEU 56 1HD1 LEU 56 -4.415 0.028 -1.364 489 HD12 LEU 56 2HD1 LEU 56 -4.064 1.040 0.031 490 HD13 LEU 56 3HD1 LEU 56 -5.722 0.551 -0.297 491 HD21 LEU 56 3HD2 LEU 56 -4.598 -1.593 2.539 492 HD22 LEU 56 1HD2 LEU 56 -5.868 -0.489 2.033 493 HD23 LEU 56 2HD2 LEU 56 -4.237 0.119 2.321 494 HA PRO 57 HA PRO 57 -8.831 -4.077 -3.274 495 HB2 PRO 57 2HB PRO 57 -6.835 -3.248 -5.289 496 HB3 PRO 57 1HB PRO 57 -8.600 -3.174 -5.361 497 HG2 PRO 57 2HG PRO 57 -7.101 -0.979 -5.089 498 HG3 PRO 57 1HG PRO 57 -8.690 -1.140 -4.322 499 HD2 PRO 57 2HD PRO 57 -5.975 -1.363 -3.123 500 HD3 PRO 57 1HD PRO 57 -7.468 -0.671 -2.455 501 H ILE 58 H ILE 58 -8.247 -6.053 -4.433 502 HA ILE 58 HA ILE 58 -6.158 -7.375 -3.111 503 HB ILE 58 HB ILE 58 -6.562 -9.354 -4.666 504 HG12 ILE 58 2HG1 ILE 58 -8.883 -9.362 -5.746 505 HG13 ILE 58 1HG1 ILE 58 -8.858 -7.616 -5.607 506 HG21 ILE 58 1HG2 ILE 58 -8.609 -10.022 -3.533 507 HG22 ILE 58 2HG2 ILE 58 -8.834 -8.360 -3.004 508 HG23 ILE 58 3HG2 ILE 58 -7.431 -9.277 -2.447 509 HD11 ILE 58 3HD1 ILE 58 -6.961 -9.320 -7.208 510 HD12 ILE 58 1HD1 ILE 58 -6.876 -7.566 -7.070 511 HD13 ILE 58 2HD1 ILE 58 -8.267 -8.322 -7.845 512 H GLU 59 H GLU 59 -6.207 -5.793 -6.143 513 HA GLU 59 HA GLU 59 -3.830 -6.902 -7.155 514 HB2 GLU 59 2HB GLU 59 -3.762 -4.933 -8.666 515 HB3 GLU 59 1HB GLU 59 -5.349 -5.683 -8.630 516 HG2 GLU 59 2HG GLU 59 -6.135 -3.912 -7.130 517 HG3 GLU 59 1HG GLU 59 -4.531 -3.177 -7.178 518 H VAL 60 H VAL 60 -4.469 -4.104 -5.131 519 HA VAL 60 HA VAL 60 -1.774 -3.172 -5.087 520 HB VAL 60 HB VAL 60 -4.028 -2.522 -3.177 521 HG11 VAL 60 1HG1 VAL 60 -1.453 -1.050 -3.754 522 HG12 VAL 60 2HG1 VAL 60 -1.861 -1.900 -2.261 523 HG13 VAL 60 3HG1 VAL 60 -2.755 -0.456 -2.726 524 HG21 VAL 60 3HG2 VAL 60 -4.360 -0.532 -4.565 525 HG22 VAL 60 1HG2 VAL 60 -4.658 -2.022 -5.456 526 HG23 VAL 60 2HG2 VAL 60 -3.153 -1.135 -5.708 527 H LYS 61 H LYS 61 -3.798 -5.046 -2.898 528 HA LYS 61 HA LYS 61 -1.941 -5.288 -0.823 529 HB2 LYS 61 2HB LYS 61 -4.168 -7.132 -1.658 530 HB3 LYS 61 1HB LYS 61 -3.196 -7.396 -0.215 531 HG2 LYS 61 2HG LYS 61 -3.826 -5.176 0.557 532 HG3 LYS 61 1HG LYS 61 -4.917 -5.015 -0.813 533 HD2 LYS 61 2HD LYS 61 -5.116 -7.205 1.272 534 HD3 LYS 61 1HD LYS 61 -6.082 -5.731 1.287 535 HE2 LYS 61 2HE LYS 61 -6.999 -6.348 -0.919 536 HE3 LYS 61 1HE LYS 61 -6.068 -7.844 -0.863 537 HZ1 LYS 61 3HZ LYS 61 -7.310 -8.568 1.013 538 HZ2 LYS 61 1HZ LYS 61 -8.411 -8.098 -0.158 539 HZ3 LYS 61 2HZ LYS 61 -8.111 -7.111 1.169 540 H ASP 62 H ASP 62 -2.405 -7.114 -3.698 541 HA ASP 62 HA ASP 62 -0.547 -9.160 -3.162 542 HB2 ASP 62 2HB ASP 62 -2.074 -9.528 -4.945 543 HB3 ASP 62 1HB ASP 62 -1.574 -8.055 -5.767 544 H LYS 63 H LYS 63 -0.163 -6.068 -4.828 545 HA LYS 63 HA LYS 63 2.538 -6.208 -5.560 546 HB2 LYS 63 2HB LYS 63 1.046 -3.776 -4.538 547 HB3 LYS 63 1HB LYS 63 2.533 -3.749 -5.464 548 HG2 LYS 63 2HG LYS 63 -0.068 -4.844 -6.477 549 HG3 LYS 63 1HG LYS 63 0.466 -3.194 -6.752 550 HD2 LYS 63 2HD LYS 63 2.437 -4.054 -7.941 551 HD3 LYS 63 1HD LYS 63 1.900 -5.704 -7.641 552 HE2 LYS 63 2HE LYS 63 -0.161 -5.244 -8.885 553 HE3 LYS 63 1HE LYS 63 0.422 -3.613 -9.221 554 HZ1 LYS 63 3HZ LYS 63 1.661 -6.155 -10.144 555 HZ2 LYS 63 1HZ LYS 63 2.311 -4.621 -10.401 556 HZ3 LYS 63 2HZ LYS 63 0.834 -5.032 -11.092 557 H LEU 64 H LEU 64 1.093 -4.820 -2.658 558 HA LEU 64 HA LEU 64 3.401 -4.171 -1.243 559 HB2 LEU 64 2HB LEU 64 0.739 -5.060 -0.129 560 HB3 LEU 64 1HB LEU 64 1.967 -4.172 0.742 561 HG LEU 64 HG LEU 64 0.330 -3.156 -1.580 562 HD11 LEU 64 1HD1 LEU 64 -0.942 -3.325 0.468 563 HD12 LEU 64 2HD1 LEU 64 -0.635 -1.637 0.069 564 HD13 LEU 64 3HD1 LEU 64 0.303 -2.428 1.339 565 HD21 LEU 64 3HD2 LEU 64 1.387 -0.978 -1.121 566 HD22 LEU 64 1HD2 LEU 64 2.563 -2.182 -1.652 567 HD23 LEU 64 2HD2 LEU 64 2.443 -1.761 0.055 568 H THR 65 H THR 65 1.543 -7.136 -1.379 569 HA THR 65 HA THR 65 2.917 -8.437 0.659 570 HB THR 65 HB THR 65 1.389 -9.688 -1.644 571 HG1 THR 65 1HG THR 65 0.169 -8.287 -0.256 572 HG21 THR 65 3HG2 THR 65 2.205 -10.861 1.023 573 HG22 THR 65 1HG2 THR 65 2.893 -11.292 -0.542 574 HG23 THR 65 2HG2 THR 65 1.202 -11.656 -0.191 575 H ARG 66 H ARG 66 3.383 -8.554 -2.879 576 HA ARG 66 HA ARG 66 5.432 -10.522 -2.742 577 HB2 ARG 66 2HB ARG 66 4.975 -8.535 -4.968 578 HB3 ARG 66 1HB ARG 66 5.940 -9.995 -5.066 579 HG2 ARG 66 2HG ARG 66 3.880 -11.320 -4.657 580 HG3 ARG 66 1HG ARG 66 2.955 -9.817 -4.719 581 HD2 ARG 66 2HD ARG 66 3.988 -9.432 -6.996 582 HD3 ARG 66 1HD ARG 66 4.568 -11.092 -6.920 583 HE ARG 66 HE ARG 66 1.734 -10.706 -6.473 584 HH11 ARG 66 1HH1 ARG 66 4.238 -11.642 -8.838 585 HH12 ARG 66 2HH1 ARG 66 3.090 -12.184 -9.985 586 HH21 ARG 66 1HH2 ARG 66 0.270 -11.384 -8.036 587 HH22 ARG 66 2HH2 ARG 66 0.757 -12.074 -9.528 588 H PHE 67 H PHE 67 5.585 -7.116 -2.204 589 HA PHE 67 HA PHE 67 8.445 -7.131 -2.694 590 HB2 PHE 67 2HB PHE 67 7.103 -5.155 -3.324 591 HB3 PHE 67 1HB PHE 67 6.775 -4.861 -1.621 592 HD1 PHE 67 1HD PHE 67 9.396 -4.937 -4.209 593 HD2 PHE 67 2HD PHE 67 8.423 -3.752 -0.228 594 HE1 PHE 67 1HE PHE 67 11.460 -3.604 -4.093 595 HE2 PHE 67 2HE PHE 67 10.471 -2.429 -0.112 596 HZ PHE 67 HZ PHE 67 12.000 -2.344 -2.044 597 H PHE 68 H PHE 68 6.408 -6.462 0.184 598 HA PHE 68 HA PHE 68 8.886 -6.928 1.708 599 HB2 PHE 68 2HB PHE 68 8.114 -5.281 3.373 600 HB3 PHE 68 1HB PHE 68 8.392 -4.586 1.783 601 HD1 PHE 68 1HD PHE 68 5.806 -5.619 4.199 602 HD2 PHE 68 2HD PHE 68 6.605 -3.567 0.556 603 HE1 PHE 68 1HE PHE 68 3.550 -4.671 4.236 604 HE2 PHE 68 2HE PHE 68 4.346 -2.619 0.600 605 HZ PHE 68 HZ PHE 68 2.815 -3.172 2.438 606 H LEU 69 H LEU 69 5.577 -7.842 1.508 607 HA LEU 69 HA LEU 69 5.532 -8.622 4.312 608 HB2 LEU 69 2HB LEU 69 3.560 -7.574 3.006 609 HB3 LEU 69 1HB LEU 69 3.411 -9.169 2.289 610 HG LEU 69 HG LEU 69 3.061 -10.125 4.527 611 HD11 LEU 69 1HD1 LEU 69 4.124 -8.382 5.883 612 HD12 LEU 69 2HD1 LEU 69 2.451 -8.621 6.374 613 HD13 LEU 69 3HD1 LEU 69 2.882 -7.227 5.391 614 HD21 LEU 69 3HD2 LEU 69 1.118 -7.974 3.696 615 HD22 LEU 69 1HD2 LEU 69 0.749 -9.342 4.746 616 HD23 LEU 69 2HD2 LEU 69 1.180 -9.621 3.059 617 H LEU 70 H LEU 70 4.997 -10.137 1.190 618 HA LEU 70 HA LEU 70 5.162 -12.122 0.310 619 HB2 LEU 70 2HB LEU 70 7.219 -12.519 2.465 620 HB3 LEU 70 1HB LEU 70 6.805 -13.807 1.355 621 HG LEU 70 HG LEU 70 8.806 -12.765 0.592 622 HD11 LEU 70 1HD1 LEU 70 7.235 -13.491 -1.102 623 HD12 LEU 70 2HD1 LEU 70 8.198 -12.119 -1.652 624 HD13 LEU 70 3HD1 LEU 70 6.528 -11.876 -1.150 625 HD21 LEU 70 3HD2 LEU 70 7.303 -10.155 0.520 626 HD22 LEU 70 1HD2 LEU 70 8.957 -10.408 -0.029 627 HD23 LEU 70 2HD2 LEU 70 8.562 -10.569 1.688 628 H GLU 71 H GLU 71 5.055 -12.600 3.706 629 HA GLU 71 HA GLU 71 3.273 -14.836 3.268 630 HB2 GLU 71 2HB GLU 71 5.068 -15.185 4.867 631 HB3 GLU 71 1HB GLU 71 4.507 -13.815 5.815 632 HG2 GLU 71 2HG GLU 71 2.414 -14.996 6.282 633 HG3 GLU 71 1HG GLU 71 2.985 -16.372 5.349 634 H HIS 72 H HIS 72 1.548 -13.671 2.501 635 HA HIS 72 HA HIS 72 -0.045 -12.192 4.485 636 HB2 HIS 72 2HB HIS 72 -0.087 -11.743 1.928 637 HB3 HIS 72 1HB HIS 72 -0.972 -13.255 1.785 638 HD1 HIS 72 1HD HIS 72 -3.404 -12.860 1.593 639 HD2 HIS 72 2HD HIS 72 -1.566 -9.934 3.886 640 HE1 HIS 72 1HE HIS 72 -5.197 -11.194 2.133 641 HE2 HIS 72 2HE HIS 72 -4.120 -9.651 3.786 642 H HIS 73 H HIS 73 0.531 -15.132 3.070 643 HA HIS 73 HA HIS 73 -0.184 -16.748 5.189 644 HB2 HIS 73 2HB HIS 73 -1.639 -16.988 2.515 645 HB3 HIS 73 1HB HIS 73 -1.272 -18.424 3.460 646 HD1 HIS 73 1HD HIS 73 -4.170 -16.947 2.679 647 HD2 HIS 73 2HD HIS 73 -2.323 -17.350 6.382 648 HE1 HIS 73 1HE HIS 73 -5.991 -16.814 4.339 649 HE2 HIS 73 2HE HIS 73 -4.834 -16.747 6.553 650 H HIS 74 H HIS 74 1.330 -18.516 4.864 651 HA HIS 74 HA HIS 74 3.337 -17.540 3.132 652 HB2 HIS 74 2HB HIS 74 4.714 -19.672 3.792 653 HB3 HIS 74 1HB HIS 74 4.489 -18.341 4.902 654 HD1 HIS 74 1HD HIS 74 3.656 -18.880 7.090 655 HD2 HIS 74 2HD HIS 74 2.981 -21.970 4.412 656 HE1 HIS 74 1HE HIS 74 2.800 -20.806 8.478 657 HE2 HIS 74 2HE HIS 74 2.747 -22.727 6.869 658 H HIS 75 H HIS 75 0.984 -19.800 2.557 659 HA HIS 75 HA HIS 75 2.340 -20.558 0.106 660 HB2 HIS 75 2HB HIS 75 0.977 -22.274 1.303 661 HB3 HIS 75 1HB HIS 75 -0.462 -21.297 1.029 662 HD1 HIS 75 1HD HIS 75 -1.789 -22.079 -0.938 663 HD2 HIS 75 2HD HIS 75 2.249 -22.967 -1.341 664 HE1 HIS 75 1HE HIS 75 -1.597 -23.393 -3.054 665 HE2 HIS 75 2HE HIS 75 0.863 -23.789 -3.355 666 H HIS 76 H HIS 76 2.458 -18.263 -0.310 667 HA HIS 76 HA HIS 76 0.193 -17.453 -2.010 668 HB2 HIS 76 2HB HIS 76 0.221 -16.135 0.172 669 HB3 HIS 76 1HB HIS 76 1.792 -15.508 -0.299 670 HD1 HIS 76 1HD HIS 76 1.810 -13.525 -1.884 671 HD2 HIS 76 2HD HIS 76 -1.949 -15.239 -1.513 672 HE1 HIS 76 1HE HIS 76 0.224 -11.933 -3.013 673 HE2 HIS 76 2HE HIS 76 -1.948 -13.169 -3.034 674 H HIS 77 H HIS 77 3.028 -18.658 -2.126 675 HA HIS 77 HA HIS 77 3.773 -17.313 -4.491 676 HB2 HIS 77 2HB HIS 77 6.080 -16.796 -3.901 677 HB3 HIS 77 1HB HIS 77 5.061 -16.019 -2.710 678 HD1 HIS 77 1HD HIS 77 8.002 -18.018 -3.031 679 HD2 HIS 77 2HD HIS 77 5.017 -17.671 -0.166 680 HE1 HIS 77 1HE HIS 77 8.957 -19.013 -0.936 681 HE2 HIS 77 2HE HIS 77 7.218 -18.616 0.823
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