NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
28605 | 3hsf | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 756 H/Q atoms Start of MODEL 1 1 1H ALA 1 2H ALA 1 -15.736 12.036 -3.944 2 2H ALA 1 1H ALA 1 -16.987 13.181 -4.054 3 3H ALA 1 3H ALA 1 -17.356 11.527 -3.986 4 HA ALA 1 HA ALA 1 -16.572 11.120 -6.133 5 1HB ALA 1 3HB ALA 1 -17.909 13.846 -6.119 6 2HB ALA 1 2HB ALA 1 -17.812 12.759 -7.505 7 3HB ALA 1 1HB ALA 1 -18.744 12.292 -6.082 8 H ARG 2 H ARG 2 -14.560 11.198 -6.997 9 HA ARG 2 HA ARG 2 -12.553 12.054 -7.858 10 1HB ARG 2 2HB ARG 2 -13.991 14.721 -7.969 11 2HB ARG 2 1HB ARG 2 -12.630 14.197 -8.958 12 1HG ARG 2 2HG ARG 2 -15.041 12.463 -9.085 13 2HG ARG 2 1HG ARG 2 -15.219 14.072 -9.782 14 1HD ARG 2 2HD ARG 2 -13.153 13.679 -11.123 15 2HD ARG 2 1HD ARG 2 -13.086 12.034 -10.486 16 HE ARG 2 HE ARG 2 -15.663 12.594 -11.679 17 1HH1 ARG 2 1HH2 ARG 2 -14.581 9.958 -12.077 18 2HH1 ARG 2 2HH2 ARG 2 -13.941 9.995 -13.685 19 1HH2 ARG 2 2HH1 ARG 2 -13.892 13.457 -13.873 20 2HH2 ARG 2 1HH1 ARG 2 -13.550 11.975 -14.702 21 HA PRO 3 HA PRO 3 -11.542 14.114 -3.925 22 1HB PRO 3 2HB PRO 3 -10.169 12.108 -2.661 23 2HB PRO 3 1HB PRO 3 -11.925 12.324 -2.526 24 1HG PRO 3 2HG PRO 3 -10.397 10.286 -4.054 25 2HG PRO 3 1HG PRO 3 -12.040 10.199 -3.402 26 1HD PRO 3 2HD PRO 3 -11.339 10.683 -6.105 27 2HD PRO 3 1HD PRO 3 -12.948 10.880 -5.385 28 H ALA 4 H ALA 4 -9.346 14.656 -3.045 29 HA ALA 4 HA ALA 4 -7.424 15.012 -5.162 30 1HB ALA 4 2HB ALA 4 -7.670 16.593 -3.272 31 2HB ALA 4 1HB ALA 4 -7.068 15.355 -2.170 32 3HB ALA 4 3HB ALA 4 -6.012 16.012 -3.421 33 H PHE 5 H PHE 5 -7.934 12.446 -2.868 34 HA PHE 5 HA PHE 5 -5.210 11.465 -2.829 35 1HB PHE 5 2HB PHE 5 -7.052 10.890 -1.158 36 2HB PHE 5 1HB PHE 5 -7.694 9.802 -2.390 37 HD1 PHE 5 HD2 PHE 5 -4.601 10.607 -0.463 38 HD2 PHE 5 HD1 PHE 5 -6.757 7.651 -2.711 39 HE1 PHE 5 HE2 PHE 5 -2.924 8.898 0.178 40 HE2 PHE 5 HE1 PHE 5 -5.080 5.941 -2.070 41 HZ PHE 5 HZ PHE 5 -3.162 6.564 -0.626 42 H VAL 6 H VAL 6 -8.137 10.318 -4.576 43 HA VAL 6 HA VAL 6 -6.663 8.422 -6.166 44 HB VAL 6 HB VAL 6 -9.337 9.747 -6.737 45 1HG1 VAL 6 3HG1 VAL 6 -8.035 7.244 -7.864 46 2HG1 VAL 6 2HG1 VAL 6 -9.708 7.723 -8.153 47 3HG1 VAL 6 1HG1 VAL 6 -8.387 8.727 -8.751 48 1HG2 VAL 6 1HG2 VAL 6 -8.452 7.456 -5.038 49 2HG2 VAL 6 3HG2 VAL 6 -9.783 8.584 -4.793 50 3HG2 VAL 6 2HG2 VAL 6 -9.953 7.259 -5.941 51 H ASN 7 H ASN 7 -7.229 11.863 -6.438 52 HA ASN 7 HA ASN 7 -6.578 12.072 -9.252 53 1HB ASN 7 2HB ASN 7 -6.785 14.022 -6.973 54 2HB ASN 7 1HB ASN 7 -6.097 14.534 -8.514 55 1HD2 ASN 7 2HD2 ASN 7 -9.994 13.203 -8.697 56 2HD2 ASN 7 1HD2 ASN 7 -8.884 12.346 -7.746 57 H LYS 8 H LYS 8 -4.681 12.188 -6.249 58 HA LYS 8 HA LYS 8 -2.249 12.951 -7.695 59 1HB LYS 8 2HB LYS 8 -1.171 13.035 -5.594 60 2HB LYS 8 1HB LYS 8 -2.818 13.537 -5.236 61 1HG LYS 8 2HG LYS 8 -3.045 10.852 -4.869 62 2HG LYS 8 1HG LYS 8 -1.362 11.086 -4.411 63 1HD LYS 8 2HD LYS 8 -3.593 12.811 -3.319 64 2HD LYS 8 1HD LYS 8 -3.060 11.330 -2.521 65 1HE LYS 8 2HE LYS 8 -0.849 12.192 -2.197 66 2HE LYS 8 1HE LYS 8 -1.158 13.562 -3.264 67 1HZ LYS 8 2HZ LYS 8 -2.625 13.066 -0.734 68 2HZ LYS 8 1HZ LYS 8 -1.284 14.101 -0.864 69 3HZ LYS 8 3HZ LYS 8 -2.710 14.452 -1.712 70 H LEU 9 H LEU 9 -3.850 10.000 -6.786 71 HA LEU 9 HA LEU 9 -1.577 8.241 -6.904 72 1HB LEU 9 2HB LEU 9 -3.849 7.715 -5.902 73 2HB LEU 9 1HB LEU 9 -4.453 7.540 -7.549 74 HG LEU 9 HG LEU 9 -2.684 5.823 -7.963 75 1HD1 LEU 9 2HD1 LEU 9 -2.030 6.573 -5.149 76 2HD1 LEU 9 1HD1 LEU 9 -1.864 4.875 -5.595 77 3HD1 LEU 9 3HD1 LEU 9 -0.952 6.109 -6.465 78 1HD2 LEU 9 1HD2 LEU 9 -5.082 5.378 -7.062 79 2HD2 LEU 9 3HD2 LEU 9 -3.902 4.070 -6.962 80 3HD2 LEU 9 2HD2 LEU 9 -4.279 5.031 -5.531 81 H TRP 10 H TRP 10 -3.663 9.655 -9.349 82 HA TRP 10 HA TRP 10 -3.023 7.847 -11.485 83 1HB TRP 10 2HB TRP 10 -3.918 10.741 -11.508 84 2HB TRP 10 1HB TRP 10 -3.774 9.751 -12.960 85 HD1 TRP 10 HD1 TRP 10 -6.360 10.875 -10.845 86 HE1 TRP 10 HE1 TRP 10 -8.327 9.216 -10.679 87 HE3 TRP 10 HE3 TRP 10 -4.119 6.670 -12.669 88 HZ2 TRP 10 HZ2 TRP 10 -8.875 6.466 -11.242 89 HZ3 TRP 10 HZ3 TRP 10 -5.382 4.546 -12.845 90 HH2 TRP 10 HH2 TRP 10 -7.756 4.438 -12.136 91 H SER 11 H SER 11 -1.048 10.164 -9.900 92 HA SER 11 HA SER 11 0.717 10.395 -12.295 93 1HB SER 11 2HB SER 11 -0.110 12.466 -10.967 94 2HB SER 11 1HB SER 11 1.045 11.960 -9.739 95 HG SER 11 HG SER 11 2.161 13.286 -11.078 96 H MET 12 H MET 12 0.571 9.234 -8.977 97 HA MET 12 HA MET 12 3.431 8.715 -8.765 98 1HB MET 12 2HB MET 12 1.208 8.700 -7.016 99 2HB MET 12 1HB MET 12 1.811 7.044 -7.022 100 1HG MET 12 2HG MET 12 4.134 8.011 -6.656 101 2HG MET 12 1HG MET 12 3.352 9.566 -6.376 102 1HE MET 12 3HE MET 12 3.704 6.072 -5.755 103 2HE MET 12 2HE MET 12 3.915 5.936 -4.013 104 3HE MET 12 1HE MET 12 2.322 5.684 -4.721 105 H VAL 13 H VAL 13 0.569 6.633 -9.254 106 HA VAL 13 HA VAL 13 2.033 4.211 -9.632 107 HB VAL 13 HB VAL 13 -0.621 4.884 -10.929 108 1HG1 VAL 13 2HG1 VAL 13 0.904 2.652 -11.195 109 2HG1 VAL 13 1HG1 VAL 13 -0.015 2.225 -9.754 110 3HG1 VAL 13 3HG1 VAL 13 -0.857 2.631 -11.249 111 1HG2 VAL 13 3HG2 VAL 13 0.032 4.038 -8.092 112 2HG2 VAL 13 2HG2 VAL 13 -0.861 5.467 -8.604 113 3HG2 VAL 13 1HG2 VAL 13 -1.574 3.870 -8.800 114 H ASN 14 H ASN 14 1.608 6.962 -11.702 115 HA ASN 14 HA ASN 14 1.844 5.726 -14.247 116 1HB ASN 14 2HB ASN 14 2.343 8.451 -13.149 117 2HB ASN 14 1HB ASN 14 3.067 8.073 -14.712 118 1HD2 ASN 14 2HD2 ASN 14 -0.114 9.146 -15.954 119 2HD2 ASN 14 1HD2 ASN 14 1.492 9.631 -15.691 120 H ASP 15 H ASP 15 4.646 7.748 -13.540 121 HA ASP 15 HA ASP 15 6.583 5.882 -12.783 122 1HB ASP 15 2HB ASP 15 7.612 5.372 -15.087 123 2HB ASP 15 1HB ASP 15 6.174 4.455 -14.652 124 H LYS 16 H LYS 16 6.126 8.679 -12.564 125 HA LYS 16 HA LYS 16 8.155 9.974 -14.283 126 1HB LYS 16 2HB LYS 16 5.842 10.958 -13.386 127 2HB LYS 16 1HB LYS 16 6.848 11.416 -12.011 128 1HG LYS 16 2HG LYS 16 8.100 12.901 -13.240 129 2HG LYS 16 1HG LYS 16 7.933 11.971 -14.730 130 1HD LYS 16 2HD LYS 16 5.434 12.645 -14.631 131 2HD LYS 16 1HD LYS 16 5.956 13.868 -13.472 132 1HE LYS 16 2HE LYS 16 7.484 13.626 -16.029 133 2HE LYS 16 1HE LYS 16 5.893 14.384 -16.085 134 1HZ LYS 16 1HZ LYS 16 7.930 15.173 -14.094 135 2HZ LYS 16 3HZ LYS 16 7.866 15.882 -15.633 136 3HZ LYS 16 2HZ LYS 16 6.542 16.024 -14.579 137 H SER 17 H SER 17 7.581 10.105 -10.744 138 HA SER 17 HA SER 17 10.461 10.461 -10.288 139 1HB SER 17 2HB SER 17 8.037 10.364 -8.489 140 2HB SER 17 1HB SER 17 9.671 10.379 -7.833 141 HG SER 17 HG SER 17 9.427 12.466 -8.059 142 H ASN 18 H ASN 18 8.064 7.916 -10.091 143 HA ASN 18 HA ASN 18 10.104 6.056 -8.953 144 1HB ASN 18 2HB ASN 18 8.028 4.489 -8.812 145 2HB ASN 18 1HB ASN 18 8.155 5.804 -7.648 146 1HD2 ASN 18 2HD2 ASN 18 5.323 7.532 -8.895 147 2HD2 ASN 18 1HD2 ASN 18 6.667 7.611 -7.871 148 H GLU 19 H GLU 19 10.362 6.951 -11.599 149 HA GLU 19 HA GLU 19 9.220 5.181 -13.521 150 1HB GLU 19 2HB GLU 19 11.062 5.924 -14.998 151 2HB GLU 19 1HB GLU 19 10.311 7.282 -14.170 152 1HG GLU 19 2HG GLU 19 12.186 6.911 -12.383 153 2HG GLU 19 1HG GLU 19 13.000 6.029 -13.676 154 H LYS 20 H LYS 20 9.339 3.065 -13.089 155 HA LYS 20 HA LYS 20 10.384 0.946 -13.454 156 1HB LYS 20 2HB LYS 20 12.527 2.106 -14.204 157 2HB LYS 20 1HB LYS 20 13.015 2.113 -12.510 158 1HG LYS 20 2HG LYS 20 13.821 0.033 -12.826 159 2HG LYS 20 1HG LYS 20 12.152 -0.515 -12.971 160 1HD LYS 20 2HD LYS 20 12.988 -1.256 -14.998 161 2HD LYS 20 1HD LYS 20 12.451 0.357 -15.469 162 1HE LYS 20 2HE LYS 20 14.592 1.163 -15.665 163 2HE LYS 20 1HE LYS 20 15.200 0.157 -14.352 164 1HZ LYS 20 3HZ LYS 20 14.315 -1.239 -16.753 165 2HZ LYS 20 2HZ LYS 20 15.736 -0.319 -16.896 166 3HZ LYS 20 1HZ LYS 20 15.634 -1.555 -15.735 167 H PHE 21 H PHE 21 9.024 2.002 -11.181 168 HA PHE 21 HA PHE 21 10.191 0.203 -9.113 169 1HB PHE 21 2HB PHE 21 9.404 3.090 -8.769 170 2HB PHE 21 1HB PHE 21 9.357 1.973 -7.406 171 HD1 PHE 21 HD1 PHE 21 11.604 0.268 -7.621 172 HD2 PHE 21 HD2 PHE 21 11.319 4.408 -8.730 173 HE1 PHE 21 HE1 PHE 21 14.055 0.510 -7.346 174 HE2 PHE 21 HE2 PHE 21 13.772 4.650 -8.455 175 HZ PHE 21 HZ PHE 21 15.140 2.700 -7.764 176 H ILE 22 H ILE 22 7.348 2.089 -10.156 177 HA ILE 22 HA ILE 22 5.639 -0.138 -9.119 178 HB ILE 22 HB ILE 22 5.454 1.834 -7.624 179 1HG1 ILE 22 2HG1 ILE 22 2.960 1.606 -9.327 180 2HG1 ILE 22 1HG1 ILE 22 3.468 0.343 -8.204 181 1HG2 ILE 22 2HG2 ILE 22 5.922 3.389 -9.717 182 2HG2 ILE 22 1HG2 ILE 22 4.162 3.394 -9.828 183 3HG2 ILE 22 3HG2 ILE 22 4.955 3.973 -8.363 184 1HD1 ILE 22 3HD1 ILE 22 3.643 2.467 -6.558 185 2HD1 ILE 22 2HD1 ILE 22 2.380 3.056 -7.640 186 3HD1 ILE 22 1HD1 ILE 22 2.152 1.547 -6.758 187 H HIS 23 H HIS 23 4.540 -1.044 -10.796 188 HA HIS 23 HA HIS 23 3.687 0.715 -13.054 189 1HB HIS 23 2HB HIS 23 5.784 -0.841 -13.439 190 2HB HIS 23 1HB HIS 23 4.562 -2.104 -13.590 191 HD1 HIS 23 HD1 HIS 23 5.091 -2.297 -16.163 192 HD2 HIS 23 HD2 HIS 23 3.616 1.421 -14.986 193 HE1 HIS 23 HE1 HIS 23 4.428 -1.086 -18.285 194 H TRP 24 H TRP 24 1.962 -0.423 -14.398 195 HA TRP 24 HA TRP 24 -0.128 -1.403 -12.634 196 1HB TRP 24 2HB TRP 24 0.050 -1.185 -15.656 197 2HB TRP 24 1HB TRP 24 -1.402 -1.679 -14.795 198 HD1 TRP 24 HD1 TRP 24 0.518 0.979 -12.974 199 HE1 TRP 24 HE1 TRP 24 -0.664 3.250 -13.236 200 HE3 TRP 24 HE3 TRP 24 -2.856 -0.192 -16.631 201 HZ2 TRP 24 HZ2 TRP 24 -2.757 4.420 -14.786 202 HZ3 TRP 24 HZ3 TRP 24 -4.427 1.523 -17.481 203 HH2 TRP 24 HH2 TRP 24 -4.383 3.826 -16.562 204 H SER 25 H SER 25 -1.158 -3.515 -12.813 205 HA SER 25 HA SER 25 0.710 -5.691 -12.958 206 1HB SER 25 2HB SER 25 -1.251 -7.130 -12.648 207 2HB SER 25 1HB SER 25 -1.347 -5.743 -11.567 208 HG SER 25 HG SER 25 -2.899 -6.432 -13.750 209 H THR 26 H THR 26 -1.934 -4.678 -15.140 210 HA THR 26 HA THR 26 -0.432 -5.802 -17.419 211 HB THR 26 HB THR 26 -3.276 -6.689 -16.853 212 HG1 THR 26 HG1 THR 26 -2.001 -7.748 -15.421 213 1HG2 THR 26 3HG2 THR 26 -1.262 -7.190 -19.028 214 2HG2 THR 26 2HG2 THR 26 -2.482 -8.409 -18.657 215 3HG2 THR 26 1HG2 THR 26 -2.975 -6.796 -19.171 216 H SER 27 H SER 27 -3.649 -4.492 -16.517 217 HA SER 27 HA SER 27 -3.239 -2.283 -18.437 218 1HB SER 27 2HB SER 27 -4.459 -4.418 -19.462 219 2HB SER 27 1HB SER 27 -5.852 -3.723 -18.637 220 HG SER 27 HG SER 27 -5.919 -2.249 -20.125 221 H GLY 28 H GLY 28 -3.647 -2.731 -15.446 222 1HA GLY 28 2HA GLY 28 -4.524 -0.862 -14.079 223 2HA GLY 28 1HA GLY 28 -5.922 -0.813 -15.154 224 H GLU 29 H GLU 29 -7.035 -0.983 -12.977 225 HA GLU 29 HA GLU 29 -8.310 -2.227 -11.463 226 1HB GLU 29 2HB GLU 29 -7.823 -4.224 -13.670 227 2HB GLU 29 1HB GLU 29 -8.706 -4.680 -12.216 228 1HG GLU 29 2HG GLU 29 -10.564 -3.770 -13.101 229 2HG GLU 29 1HG GLU 29 -9.788 -2.190 -13.040 230 H SER 30 H SER 30 -5.183 -2.284 -11.408 231 HA SER 30 HA SER 30 -4.842 -3.670 -8.989 232 1HB SER 30 2HB SER 30 -3.390 -5.613 -10.140 233 2HB SER 30 1HB SER 30 -5.099 -5.823 -9.771 234 HG SER 30 HG SER 30 -4.785 -6.376 -11.904 235 H ILE 31 H ILE 31 -2.799 -3.265 -8.177 236 HA ILE 31 HA ILE 31 -0.817 -2.063 -10.082 237 HB ILE 31 HB ILE 31 -1.124 -1.502 -7.110 238 1HG1 ILE 31 2HG1 ILE 31 -1.869 0.269 -9.455 239 2HG1 ILE 31 1HG1 ILE 31 -3.037 -0.689 -8.544 240 1HG2 ILE 31 1HG2 ILE 31 1.161 -1.208 -8.093 241 2HG2 ILE 31 3HG2 ILE 31 0.477 -0.064 -9.247 242 3HG2 ILE 31 2HG2 ILE 31 0.455 0.304 -7.523 243 1HD1 ILE 31 3HD1 ILE 31 -2.261 0.471 -6.454 244 2HD1 ILE 31 2HD1 ILE 31 -1.262 1.518 -7.463 245 3HD1 ILE 31 1HD1 ILE 31 -3.019 1.554 -7.623 246 H VAL 32 H VAL 32 1.459 -2.620 -9.622 247 HA VAL 32 HA VAL 32 1.732 -5.049 -7.889 248 HB VAL 32 HB VAL 32 3.123 -4.561 -10.540 249 1HG1 VAL 32 1HG1 VAL 32 3.202 -6.768 -8.484 250 2HG1 VAL 32 3HG1 VAL 32 3.594 -7.089 -10.174 251 3HG1 VAL 32 2HG1 VAL 32 4.552 -5.932 -9.252 252 1HG2 VAL 32 3HG2 VAL 32 0.700 -5.028 -10.790 253 2HG2 VAL 32 2HG2 VAL 32 1.682 -6.372 -11.374 254 3HG2 VAL 32 1HG2 VAL 32 0.891 -6.477 -9.803 255 H VAL 33 H VAL 33 3.489 -5.085 -6.545 256 HA VAL 33 HA VAL 33 5.402 -2.783 -6.758 257 HB VAL 33 HB VAL 33 4.559 -4.325 -4.276 258 1HG1 VAL 33 2HG1 VAL 33 6.455 -2.025 -4.769 259 2HG1 VAL 33 1HG1 VAL 33 5.727 -2.297 -3.186 260 3HG1 VAL 33 3HG1 VAL 33 6.764 -3.530 -3.904 261 1HG2 VAL 33 3HG2 VAL 33 2.767 -2.870 -5.187 262 2HG2 VAL 33 2HG2 VAL 33 3.390 -2.251 -3.658 263 3HG2 VAL 33 1HG2 VAL 33 3.885 -1.506 -5.177 264 HA PRO 34 HA PRO 34 7.790 -6.598 -7.559 265 1HB PRO 34 2HB PRO 34 9.871 -5.353 -8.840 266 2HB PRO 34 1HB PRO 34 8.403 -5.901 -9.668 267 1HG PRO 34 2HG PRO 34 9.236 -3.135 -8.955 268 2HG PRO 34 1HG PRO 34 8.161 -3.689 -10.250 269 1HD PRO 34 2HD PRO 34 7.354 -2.554 -7.786 270 2HD PRO 34 1HD PRO 34 6.307 -3.381 -8.954 271 H ASN 35 H ASN 35 9.157 -3.423 -6.643 272 HA ASN 35 HA ASN 35 10.793 -4.836 -4.573 273 1HB ASN 35 2HB ASN 35 11.496 -2.340 -6.153 274 2HB ASN 35 1HB ASN 35 12.468 -3.015 -4.843 275 1HD2 ASN 35 2HD2 ASN 35 12.303 -5.039 -8.425 276 2HD2 ASN 35 1HD2 ASN 35 11.051 -3.965 -8.022 277 H ARG 36 H ARG 36 9.045 -4.487 -3.056 278 HA ARG 36 HA ARG 36 7.919 -1.909 -2.501 279 1HB ARG 36 2HB ARG 36 7.255 -2.947 -0.322 280 2HB ARG 36 1HB ARG 36 6.816 -3.928 -1.721 281 1HG ARG 36 2HG ARG 36 8.309 -5.581 -1.200 282 2HG ARG 36 1HG ARG 36 9.504 -4.445 -0.572 283 1HD ARG 36 2HD ARG 36 7.732 -4.094 1.345 284 2HD ARG 36 1HD ARG 36 7.146 -5.673 0.820 285 HE ARG 36 HE ARG 36 9.952 -5.883 1.138 286 1HH1 ARG 36 1HH2 ARG 36 8.306 -4.150 3.365 287 2HH1 ARG 36 2HH2 ARG 36 8.409 -5.297 4.659 288 1HH2 ARG 36 2HH1 ARG 36 9.579 -7.864 2.641 289 2HH2 ARG 36 1HH1 ARG 36 9.130 -7.401 4.249 290 H GLU 37 H GLU 37 10.945 -3.387 -1.619 291 HA GLU 37 HA GLU 37 11.506 -1.833 0.726 292 1HB GLU 37 2HB GLU 37 12.770 -3.889 0.030 293 2HB GLU 37 1HB GLU 37 13.500 -2.949 -1.271 294 1HG GLU 37 2HG GLU 37 14.395 -1.354 0.424 295 2HG GLU 37 1HG GLU 37 13.741 -2.384 1.698 296 H ARG 38 H ARG 38 13.043 -1.434 -2.494 297 HA ARG 38 HA ARG 38 14.037 1.175 -1.991 298 1HB ARG 38 2HB ARG 38 14.612 -0.421 -3.925 299 2HB ARG 38 1HB ARG 38 13.179 0.224 -4.725 300 1HG ARG 38 2HG ARG 38 14.641 1.793 -5.510 301 2HG ARG 38 1HG ARG 38 14.374 2.538 -3.936 302 1HD ARG 38 2HD ARG 38 16.717 2.433 -4.074 303 2HD ARG 38 1HD ARG 38 16.316 0.991 -3.141 304 HE ARG 38 HE ARG 38 16.343 -0.054 -5.623 305 1HH1 ARG 38 1HH2 ARG 38 17.833 2.224 -6.759 306 2HH1 ARG 38 2HH2 ARG 38 19.485 1.771 -6.508 307 1HH2 ARG 38 2HH1 ARG 38 18.739 -0.656 -4.147 308 2HH2 ARG 38 1HH1 ARG 38 19.999 0.139 -5.030 309 H PHE 39 H PHE 39 10.865 0.103 -3.068 310 HA PHE 39 HA PHE 39 9.896 2.624 -4.021 311 1HB PHE 39 2HB PHE 39 8.682 0.565 -4.503 312 2HB PHE 39 1HB PHE 39 8.425 0.273 -2.786 313 HD1 PHE 39 HD1 PHE 39 7.543 2.511 -5.626 314 HD2 PHE 39 HD2 PHE 39 6.692 1.383 -1.569 315 HE1 PHE 39 HE1 PHE 39 5.460 3.856 -5.691 316 HE2 PHE 39 HE2 PHE 39 4.604 2.725 -1.635 317 HZ PHE 39 HZ PHE 39 3.990 3.962 -3.695 318 H VAL 40 H VAL 40 8.791 1.096 -1.000 319 HA VAL 40 HA VAL 40 7.743 3.331 0.263 320 HB VAL 40 HB VAL 40 9.283 1.102 1.636 321 1HG1 VAL 40 3HG1 VAL 40 8.598 3.188 2.981 322 2HG1 VAL 40 2HG1 VAL 40 6.934 2.672 2.711 323 3HG1 VAL 40 1HG1 VAL 40 8.048 1.631 3.597 324 1HG2 VAL 40 3HG2 VAL 40 6.405 1.308 0.709 325 2HG2 VAL 40 2HG2 VAL 40 7.602 0.124 0.197 326 3HG2 VAL 40 1HG2 VAL 40 6.980 0.088 1.842 327 H GLN 41 H GLN 41 11.035 2.111 0.936 328 HA GLN 41 HA GLN 41 11.906 4.228 2.550 329 1HB GLN 41 2HB GLN 41 13.286 2.248 0.798 330 2HB GLN 41 1HB GLN 41 14.234 3.583 1.451 331 1HG GLN 41 2HG GLN 41 12.504 2.407 3.490 332 2HG GLN 41 1HG GLN 41 13.580 1.204 2.782 333 1HE2 GLN 41 2HE2 GLN 41 15.570 4.468 4.286 334 2HE2 GLN 41 1HE2 GLN 41 14.255 4.702 3.241 335 H GLU 42 H GLU 42 11.687 4.201 -0.990 336 HA GLU 42 HA GLU 42 12.710 7.015 -0.923 337 1HB GLU 42 2HB GLU 42 13.220 4.978 -3.106 338 2HB GLU 42 1HB GLU 42 13.808 6.641 -3.075 339 1HG GLU 42 2HG GLU 42 14.424 4.765 -0.801 340 2HG GLU 42 1HG GLU 42 15.405 4.745 -2.266 341 H VAL 43 H VAL 43 9.882 6.037 -0.957 342 HA VAL 43 HA VAL 43 9.011 7.697 -3.224 343 HB VAL 43 HB VAL 43 8.014 4.834 -3.016 344 1HG1 VAL 43 2HG1 VAL 43 7.380 7.200 -4.771 345 2HG1 VAL 43 1HG1 VAL 43 7.132 5.556 -5.359 346 3HG1 VAL 43 3HG1 VAL 43 6.267 6.121 -3.930 347 1HG2 VAL 43 1HG2 VAL 43 9.913 6.166 -4.973 348 2HG2 VAL 43 3HG2 VAL 43 10.289 4.827 -3.888 349 3HG2 VAL 43 2HG2 VAL 43 9.175 4.585 -5.233 350 H LEU 44 H LEU 44 8.017 5.622 -0.480 351 HA LEU 44 HA LEU 44 5.376 6.689 -0.266 352 1HB LEU 44 2HB LEU 44 6.314 4.616 0.913 353 2HB LEU 44 1HB LEU 44 6.996 5.727 2.097 354 HG LEU 44 HG LEU 44 4.679 6.703 2.377 355 1HD1 LEU 44 1HD1 LEU 44 4.159 4.559 0.383 356 2HD1 LEU 44 3HD1 LEU 44 2.971 4.732 1.676 357 3HD1 LEU 44 2HD1 LEU 44 3.332 6.099 0.622 358 1HD2 LEU 44 1HD2 LEU 44 5.873 4.634 3.653 359 2HD2 LEU 44 3HD2 LEU 44 4.277 5.240 4.097 360 3HD2 LEU 44 2HD2 LEU 44 4.424 3.820 3.061 361 HA PRO 45 HA PRO 45 7.096 9.854 2.766 362 1HB PRO 45 2HB PRO 45 9.787 10.365 2.858 363 2HB PRO 45 1HB PRO 45 8.968 9.224 3.939 364 1HG PRO 45 2HG PRO 45 10.709 8.665 1.587 365 2HG PRO 45 1HG PRO 45 10.429 7.687 3.039 366 1HD PRO 45 2HD PRO 45 9.269 7.227 0.522 367 2HD PRO 45 1HD PRO 45 8.720 6.545 2.062 368 H LYS 46 H LYS 46 7.992 9.423 -0.477 369 HA LYS 46 HA LYS 46 8.772 12.247 -0.895 370 1HB LYS 46 2HB LYS 46 8.931 9.728 -2.456 371 2HB LYS 46 1HB LYS 46 8.626 11.186 -3.398 372 1HG LYS 46 2HG LYS 46 10.607 12.251 -2.550 373 2HG LYS 46 1HG LYS 46 10.841 10.985 -1.345 374 1HD LYS 46 2HD LYS 46 11.122 9.338 -3.224 375 2HD LYS 46 1HD LYS 46 11.074 10.692 -4.353 376 1HE LYS 46 2HE LYS 46 13.071 11.644 -3.448 377 2HE LYS 46 1HE LYS 46 13.026 10.576 -2.046 378 1HZ LYS 46 2HZ LYS 46 13.146 8.723 -3.810 379 2HZ LYS 46 1HZ LYS 46 13.732 9.945 -4.833 380 3HZ LYS 46 3HZ LYS 46 14.567 9.564 -3.407 381 H TYR 47 H TYR 47 5.987 11.318 -0.068 382 HA TYR 47 HA TYR 47 4.516 13.035 -1.922 383 1HB TYR 47 2HB TYR 47 4.053 10.058 -1.755 384 2HB TYR 47 1HB TYR 47 2.729 11.153 -2.154 385 HD1 TYR 47 HD1 TYR 47 2.908 12.647 -4.167 386 HD2 TYR 47 HD2 TYR 47 5.776 9.561 -3.333 387 HE1 TYR 47 HE1 TYR 47 3.717 12.766 -6.508 388 HE2 TYR 47 HE2 TYR 47 6.585 9.679 -5.674 389 HH TYR 47 HH TYR 47 6.002 12.181 -7.690 390 H PHE 48 H PHE 48 4.316 10.706 0.777 391 HA PHE 48 HA PHE 48 2.291 12.493 2.054 392 1HB PHE 48 2HB PHE 48 2.834 9.535 2.455 393 2HB PHE 48 1HB PHE 48 1.663 10.473 3.385 394 HD1 PHE 48 HD1 PHE 48 -0.194 11.695 2.116 395 HD2 PHE 48 HD2 PHE 48 2.271 8.671 0.322 396 HE1 PHE 48 HE1 PHE 48 -1.865 11.407 0.304 397 HE2 PHE 48 HE2 PHE 48 0.599 8.381 -1.487 398 HZ PHE 48 HZ PHE 48 -1.468 9.749 -1.495 399 H LYS 49 H LYS 49 4.845 13.345 2.254 400 HA LYS 49 HA LYS 49 6.653 13.772 3.662 401 1HB LYS 49 2HB LYS 49 5.705 14.099 6.156 402 2HB LYS 49 1HB LYS 49 5.446 15.270 4.871 403 1HG LYS 49 2HG LYS 49 3.262 14.082 4.362 404 2HG LYS 49 1HG LYS 49 3.513 13.142 5.832 405 1HD LYS 49 2HD LYS 49 3.923 15.918 6.453 406 2HD LYS 49 1HD LYS 49 2.399 15.762 5.580 407 1HE LYS 49 2HE LYS 49 1.929 13.780 7.195 408 2HE LYS 49 1HE LYS 49 3.216 14.477 8.179 409 1HZ LYS 49 3HZ LYS 49 1.898 16.655 7.819 410 2HZ LYS 49 2HZ LYS 49 0.600 15.616 7.468 411 3HZ LYS 49 1HZ LYS 49 1.364 15.542 8.983 412 H HIS 50 H HIS 50 5.179 12.148 6.431 413 HA HIS 50 HA HIS 50 7.263 10.025 6.129 414 1HB HIS 50 2HB HIS 50 6.545 11.657 8.572 415 2HB HIS 50 1HB HIS 50 7.450 10.146 8.672 416 HD1 HIS 50 HD1 HIS 50 9.198 10.492 6.120 417 HD2 HIS 50 HD2 HIS 50 8.642 13.460 8.993 418 HE1 HIS 50 HE1 HIS 50 11.174 12.060 5.921 419 H SER 51 H SER 51 4.900 9.290 5.215 420 HA SER 51 HA SER 51 3.305 8.088 7.411 421 1HB SER 51 2HB SER 51 1.783 7.378 5.584 422 2HB SER 51 1HB SER 51 2.076 9.114 5.546 423 HG SER 51 HG SER 51 2.550 7.294 3.659 424 H ASN 52 H ASN 52 2.584 5.686 6.785 425 HA ASN 52 HA ASN 52 5.055 4.187 5.997 426 1HB ASN 52 2HB ASN 52 3.086 3.674 8.232 427 2HB ASN 52 1HB ASN 52 4.129 2.398 7.602 428 1HD2 ASN 52 2HD2 ASN 52 7.054 3.652 9.154 429 2HD2 ASN 52 1HD2 ASN 52 6.403 2.502 8.089 430 H PHE 53 H PHE 53 4.498 1.897 5.268 431 HA PHE 53 HA PHE 53 2.703 1.923 3.078 432 1HB PHE 53 2HB PHE 53 2.813 -0.660 3.322 433 2HB PHE 53 1HB PHE 53 4.312 0.205 2.994 434 HD1 PHE 53 HD1 PHE 53 2.244 -1.152 5.817 435 HD2 PHE 53 HD2 PHE 53 6.151 -0.028 4.425 436 HE1 PHE 53 HE1 PHE 53 3.251 -2.083 7.885 437 HE2 PHE 53 HE2 PHE 53 7.157 -0.958 6.492 438 HZ PHE 53 HZ PHE 53 5.707 -1.987 8.222 439 H ALA 54 H ALA 54 2.125 1.208 6.455 440 HA ALA 54 HA ALA 54 -0.413 -0.108 6.152 441 1HB ALA 54 3HB ALA 54 1.180 0.239 8.262 442 2HB ALA 54 2HB ALA 54 0.138 1.638 8.522 443 3HB ALA 54 1HB ALA 54 -0.559 0.019 8.465 444 H SER 55 H SER 55 0.519 3.299 6.571 445 HA SER 55 HA SER 55 -2.154 4.341 6.704 446 1HB SER 55 2HB SER 55 0.223 5.829 5.583 447 2HB SER 55 1HB SER 55 -1.157 6.487 6.455 448 HG SER 55 HG SER 55 0.324 6.337 8.009 449 H PHE 56 H PHE 56 0.051 3.702 3.996 450 HA PHE 56 HA PHE 56 -1.467 4.975 1.946 451 1HB PHE 56 2HB PHE 56 0.917 3.908 1.869 452 2HB PHE 56 1HB PHE 56 0.058 2.421 1.463 453 HD1 PHE 56 HD2 PHE 56 -1.622 2.511 -0.495 454 HD2 PHE 56 HD1 PHE 56 1.349 5.527 0.219 455 HE1 PHE 56 HE2 PHE 56 -1.843 3.283 -2.841 456 HE2 PHE 56 HE1 PHE 56 1.131 6.299 -2.126 457 HZ PHE 56 HZ PHE 56 -0.467 5.178 -3.657 458 H VAL 57 H VAL 57 -1.608 1.655 3.226 459 HA VAL 57 HA VAL 57 -3.627 0.731 1.397 460 HB VAL 57 HB VAL 57 -3.042 -0.256 4.205 461 1HG1 VAL 57 3HG1 VAL 57 -5.173 -1.025 3.034 462 2HG1 VAL 57 2HG1 VAL 57 -4.132 -1.777 1.824 463 3HG1 VAL 57 1HG1 VAL 57 -4.060 -2.311 3.503 464 1HG2 VAL 57 1HG2 VAL 57 -1.180 -0.091 2.261 465 2HG2 VAL 57 3HG2 VAL 57 -1.247 -1.445 3.388 466 3HG2 VAL 57 2HG2 VAL 57 -1.951 -1.601 1.779 467 H ARG 58 H ARG 58 -3.741 2.415 4.487 468 HA ARG 58 HA ARG 58 -6.500 2.021 5.087 469 1HB ARG 58 2HB ARG 58 -4.593 4.280 5.733 470 2HB ARG 58 1HB ARG 58 -6.238 4.206 6.365 471 1HG ARG 58 2HG ARG 58 -4.509 1.784 6.656 472 2HG ARG 58 1HG ARG 58 -4.202 3.156 7.719 473 1HD ARG 58 2HD ARG 58 -7.015 2.809 7.683 474 2HD ARG 58 1HD ARG 58 -6.317 1.199 7.867 475 HE ARG 58 HE ARG 58 -6.299 3.274 9.872 476 1HH1 ARG 58 2HH1 ARG 58 -3.741 3.427 10.410 477 2HH1 ARG 58 1HH1 ARG 58 -3.169 1.904 11.005 478 1HH2 ARG 58 1HH2 ARG 58 -5.890 0.115 9.816 479 2HH2 ARG 58 2HH2 ARG 58 -4.386 0.031 10.670 480 H GLN 59 H GLN 59 -4.877 4.631 3.262 481 HA GLN 59 HA GLN 59 -7.249 6.108 2.654 482 1HB GLN 59 2HB GLN 59 -4.528 5.913 1.376 483 2HB GLN 59 1HB GLN 59 -5.803 6.880 0.635 484 1HG GLN 59 2HG GLN 59 -4.803 8.471 1.998 485 2HG GLN 59 1HG GLN 59 -6.053 7.857 3.078 486 1HE2 GLN 59 2HE2 GLN 59 -3.740 6.571 5.406 487 2HE2 GLN 59 1HE2 GLN 59 -5.362 6.892 5.029 488 H LEU 60 H LEU 60 -5.568 3.513 0.893 489 HA LEU 60 HA LEU 60 -7.140 3.511 -1.462 490 1HB LEU 60 2HB LEU 60 -5.832 1.196 -0.011 491 2HB LEU 60 1HB LEU 60 -6.438 1.120 -1.654 492 HG LEU 60 HG LEU 60 -4.394 3.162 -0.764 493 1HD1 LEU 60 1HD1 LEU 60 -4.083 0.315 -1.641 494 2HD1 LEU 60 3HD1 LEU 60 -2.895 1.499 -2.188 495 3HD1 LEU 60 2HD1 LEU 60 -3.144 1.233 -0.463 496 1HD2 LEU 60 3HD2 LEU 60 -5.929 3.165 -2.988 497 2HD2 LEU 60 2HD2 LEU 60 -4.273 3.768 -2.978 498 3HD2 LEU 60 1HD2 LEU 60 -4.613 2.136 -3.551 499 H ASN 61 H ASN 61 -7.788 2.104 1.710 500 HA ASN 61 HA ASN 61 -10.100 0.571 0.845 501 1HB ASN 61 2HB ASN 61 -8.831 1.276 3.453 502 2HB ASN 61 1HB ASN 61 -10.511 0.738 3.476 503 1HD2 ASN 61 2HD2 ASN 61 -9.661 -2.636 2.959 504 2HD2 ASN 61 1HD2 ASN 61 -10.848 -1.501 3.385 505 H MET 62 H MET 62 -9.760 3.652 2.652 506 HA MET 62 HA MET 62 -12.591 4.119 2.827 507 1HB MET 62 2HB MET 62 -11.940 6.429 3.465 508 2HB MET 62 1HB MET 62 -11.045 5.206 4.366 509 1HG MET 62 2HG MET 62 -9.056 5.763 3.410 510 2HG MET 62 1HG MET 62 -9.778 6.030 1.826 511 1HE MET 62 1HE MET 62 -8.763 7.383 5.213 512 2HE MET 62 3HE MET 62 -9.535 8.969 5.344 513 3HE MET 62 2HE MET 62 -10.509 7.502 5.408 514 H TYR 63 H TYR 63 -10.537 4.329 0.108 515 HA TYR 63 HA TYR 63 -12.308 6.380 -1.142 516 1HB TYR 63 2HB TYR 63 -9.536 5.404 -1.855 517 2HB TYR 63 1HB TYR 63 -10.498 6.406 -2.941 518 HD1 TYR 63 HD2 TYR 63 -11.826 8.331 -1.267 519 HD2 TYR 63 HD1 TYR 63 -7.874 6.699 -0.854 520 HE1 TYR 63 HE2 TYR 63 -11.125 10.349 -0.010 521 HE2 TYR 63 HE1 TYR 63 -7.174 8.715 0.404 522 HH TYR 63 HH TYR 63 -9.322 11.501 0.801 523 H GLY 64 H GLY 64 -11.238 3.036 -1.395 524 1HA GLY 64 2HA GLY 64 -13.359 1.856 -2.559 525 2HA GLY 64 1HA GLY 64 -12.672 2.680 -3.958 526 H TRP 65 H TRP 65 -9.913 2.357 -3.292 527 HA TRP 65 HA TRP 65 -9.414 -0.237 -4.383 528 1HB TRP 65 2HB TRP 65 -7.670 1.818 -3.025 529 2HB TRP 65 1HB TRP 65 -7.017 0.261 -3.535 530 HD1 TRP 65 HD1 TRP 65 -8.643 3.429 -4.962 531 HE1 TRP 65 HE1 TRP 65 -8.091 3.569 -7.478 532 HE3 TRP 65 HE3 TRP 65 -6.337 -1.082 -5.612 533 HZ2 TRP 65 HZ2 TRP 65 -6.837 1.979 -9.497 534 HZ3 TRP 65 HZ3 TRP 65 -5.474 -1.743 -7.840 535 HH2 TRP 65 HH2 TRP 65 -5.721 -0.220 -9.780 536 H HIS 66 H HIS 66 -7.821 -1.790 -3.156 537 HA HIS 66 HA HIS 66 -8.299 -2.009 -0.268 538 1HB HIS 66 2HB HIS 66 -9.492 -3.957 -2.255 539 2HB HIS 66 1HB HIS 66 -9.228 -4.367 -0.561 540 HD1 HIS 66 HD1 HIS 66 -11.325 -2.213 -2.800 541 HD2 HIS 66 HD2 HIS 66 -10.969 -3.048 1.268 542 HE1 HIS 66 HE1 HIS 66 -13.362 -1.207 -1.682 543 H LYS 67 H LYS 67 -7.058 -3.837 0.657 544 HA LYS 67 HA LYS 67 -4.533 -4.237 -0.789 545 1HB LYS 67 2HB LYS 67 -5.160 -3.944 1.869 546 2HB LYS 67 1HB LYS 67 -4.959 -5.692 1.750 547 1HG LYS 67 2HG LYS 67 -2.766 -5.216 0.524 548 2HG LYS 67 1HG LYS 67 -2.953 -3.541 1.049 549 1HD LYS 67 2HD LYS 67 -2.538 -4.037 3.248 550 2HD LYS 67 1HD LYS 67 -3.282 -5.632 3.138 551 1HE LYS 67 2HE LYS 67 -1.345 -6.638 2.395 552 2HE LYS 67 1HE LYS 67 -0.776 -5.179 1.585 553 1HZ LYS 67 2HZ LYS 67 -0.598 -4.262 3.967 554 2HZ LYS 67 1HZ LYS 67 -0.613 -5.896 4.433 555 3HZ LYS 67 3HZ LYS 67 0.605 -5.322 3.404 556 H VAL 68 H VAL 68 -3.873 -6.833 0.188 557 HA VAL 68 HA VAL 68 -5.940 -8.709 -0.693 558 HB VAL 68 HB VAL 68 -5.066 -7.944 -2.854 559 1HG1 VAL 68 1HG1 VAL 68 -2.748 -7.444 -1.640 560 2HG1 VAL 68 3HG1 VAL 68 -2.355 -9.049 -2.256 561 3HG1 VAL 68 2HG1 VAL 68 -2.826 -7.768 -3.370 562 1HG2 VAL 68 2HG2 VAL 68 -5.537 -10.453 -2.310 563 2HG2 VAL 68 1HG2 VAL 68 -4.682 -10.063 -3.802 564 3HG2 VAL 68 3HG2 VAL 68 -3.785 -10.635 -2.394 565 H GLN 69 H GLN 69 -5.603 -9.660 1.364 566 HA GLN 69 HA GLN 69 -3.043 -11.180 1.601 567 1HB GLN 69 2HB GLN 69 -4.368 -9.384 3.595 568 2HB GLN 69 1HB GLN 69 -3.571 -10.839 4.192 569 1HG GLN 69 2HG GLN 69 -1.506 -10.160 2.952 570 2HG GLN 69 1HG GLN 69 -2.311 -8.654 2.507 571 1HE2 GLN 69 2HE2 GLN 69 -0.333 -8.106 5.668 572 2HE2 GLN 69 1HE2 GLN 69 0.073 -8.656 4.114 573 H ASP 70 H ASP 70 -4.969 -12.515 0.444 574 HA ASP 70 HA ASP 70 -6.237 -14.140 2.610 575 1HB ASP 70 2HB ASP 70 -7.831 -12.704 1.209 576 2HB ASP 70 1HB ASP 70 -7.420 -13.754 -0.147 577 H VAL 71 H VAL 71 -6.441 -16.422 2.099 578 HA VAL 71 HA VAL 71 -4.701 -17.336 -0.153 579 HB VAL 71 HB VAL 71 -4.801 -18.562 2.623 580 1HG1 VAL 71 3HG1 VAL 71 -3.229 -19.158 0.109 581 2HG1 VAL 71 2HG1 VAL 71 -2.716 -19.726 1.698 582 3HG1 VAL 71 1HG1 VAL 71 -4.262 -20.252 1.029 583 1HG2 VAL 71 2HG2 VAL 71 -3.652 -16.228 2.245 584 2HG2 VAL 71 1HG2 VAL 71 -2.782 -17.486 3.124 585 3HG2 VAL 71 3HG2 VAL 71 -2.411 -17.180 1.428 586 H LYS 72 H LYS 72 -6.710 -17.698 -1.318 587 HA LYS 72 HA LYS 72 -8.655 -19.605 -0.219 588 1HB LYS 72 2HB LYS 72 -8.395 -18.132 -2.845 589 2HB LYS 72 1HB LYS 72 -9.619 -19.378 -2.600 590 1HG LYS 72 2HG LYS 72 -10.044 -17.957 -0.365 591 2HG LYS 72 1HG LYS 72 -9.405 -16.665 -1.380 592 1HD LYS 72 2HD LYS 72 -11.089 -17.100 -3.079 593 2HD LYS 72 1HD LYS 72 -11.669 -18.509 -2.190 594 1HE LYS 72 2HE LYS 72 -11.719 -15.661 -1.147 595 2HE LYS 72 1HE LYS 72 -13.110 -16.518 -1.813 596 1HZ LYS 72 1HZ LYS 72 -12.625 -18.267 -0.081 597 2HZ LYS 72 3HZ LYS 72 -11.584 -17.142 0.645 598 3HZ LYS 72 2HZ LYS 72 -13.241 -16.792 0.495 599 H SER 73 H SER 73 -7.202 -19.717 -3.470 600 HA SER 73 HA SER 73 -6.902 -22.645 -3.172 601 1HB SER 73 2HB SER 73 -7.036 -20.727 -5.442 602 2HB SER 73 1HB SER 73 -6.028 -22.151 -5.683 603 HG SER 73 HG SER 73 -7.791 -23.257 -5.896 604 H GLY 74 H GLY 74 -4.765 -20.396 -4.917 605 1HA GLY 74 2HA GLY 74 -2.429 -20.226 -4.934 606 2HA GLY 74 1HA GLY 74 -2.562 -20.344 -3.181 607 H SER 75 H SER 75 -1.840 -22.085 -6.118 608 HA SER 75 HA SER 75 -1.729 -24.740 -5.017 609 1HB SER 75 2HB SER 75 -0.061 -25.074 -6.972 610 2HB SER 75 1HB SER 75 -1.710 -24.612 -7.382 611 HG SER 75 HG SER 75 0.370 -23.391 -8.172 612 H MET 76 H MET 76 0.517 -22.038 -5.097 613 HA MET 76 HA MET 76 2.171 -23.366 -3.042 614 1HB MET 76 2HB MET 76 4.272 -22.735 -4.331 615 2HB MET 76 1HB MET 76 3.359 -24.084 -5.007 616 1HG MET 76 2HG MET 76 2.734 -22.907 -6.868 617 2HG MET 76 1HG MET 76 2.578 -21.392 -5.982 618 1HE MET 76 1HE MET 76 3.392 -21.006 -8.509 619 2HE MET 76 3HE MET 76 3.953 -19.655 -7.516 620 3HE MET 76 2HE MET 76 5.031 -20.388 -8.701 621 H LEU 77 H LEU 77 0.349 -21.047 -3.187 622 HA LEU 77 HA LEU 77 2.021 -18.653 -3.148 623 1HB LEU 77 2HB LEU 77 -0.676 -19.103 -3.481 624 2HB LEU 77 1HB LEU 77 -0.613 -18.511 -1.822 625 HG LEU 77 HG LEU 77 0.929 -16.648 -2.781 626 1HD1 LEU 77 3HD1 LEU 77 0.975 -17.973 -5.037 627 2HD1 LEU 77 2HD1 LEU 77 -0.594 -17.218 -5.316 628 3HD1 LEU 77 1HD1 LEU 77 0.839 -16.215 -5.087 629 1HD2 LEU 77 2HD2 LEU 77 -2.036 -16.954 -3.001 630 2HD2 LEU 77 1HD2 LEU 77 -1.094 -15.817 -2.037 631 3HD2 LEU 77 3HD2 LEU 77 -1.304 -15.543 -3.767 632 H SER 78 H SER 78 1.158 -17.289 -0.898 633 HA SER 78 HA SER 78 1.642 -17.011 1.376 634 1HB SER 78 2HB SER 78 0.060 -19.147 1.326 635 2HB SER 78 1HB SER 78 1.537 -19.974 1.816 636 HG SER 78 HG SER 78 1.682 -18.557 3.568 637 H ASN 79 H ASN 79 3.848 -17.022 -0.238 638 HA ASN 79 HA ASN 79 5.890 -18.140 1.574 639 1HB ASN 79 2HB ASN 79 5.258 -19.805 -0.369 640 2HB ASN 79 1HB ASN 79 6.236 -18.713 -1.352 641 1HD2 ASN 79 2HD2 ASN 79 9.194 -20.242 -0.241 642 2HD2 ASN 79 1HD2 ASN 79 8.332 -19.510 -1.506 643 H ASN 80 H ASN 80 4.940 -15.454 0.716 644 HA ASN 80 HA ASN 80 7.570 -14.291 0.196 645 1HB ASN 80 2HB ASN 80 6.851 -13.070 -1.854 646 2HB ASN 80 1HB ASN 80 6.916 -14.814 -2.100 647 1HD2 ASN 80 2HD2 ASN 80 3.537 -13.070 -3.048 648 2HD2 ASN 80 1HD2 ASN 80 5.089 -12.385 -3.113 649 H ASP 81 H ASP 81 7.629 -12.106 0.824 650 HA ASP 81 HA ASP 81 5.055 -10.805 1.546 651 1HB ASP 81 2HB ASP 81 6.031 -10.151 3.764 652 2HB ASP 81 1HB ASP 81 5.752 -11.886 3.610 653 H SER 82 H SER 82 6.940 -10.290 -0.592 654 HA SER 82 HA SER 82 7.530 -7.464 0.039 655 1HB SER 82 2HB SER 82 9.832 -7.904 -1.173 656 2HB SER 82 1HB SER 82 9.674 -8.194 0.558 657 HG SER 82 HG SER 82 10.345 -10.121 0.006 658 H ARG 83 H ARG 83 5.634 -8.889 -1.689 659 HA ARG 83 HA ARG 83 5.870 -7.310 -4.059 660 1HB ARG 83 2HB ARG 83 7.633 -9.349 -4.225 661 2HB ARG 83 1HB ARG 83 6.193 -10.168 -4.833 662 1HG ARG 83 2HG ARG 83 5.932 -7.958 -6.267 663 2HG ARG 83 1HG ARG 83 7.669 -7.830 -5.983 664 1HD ARG 83 2HD ARG 83 7.531 -9.076 -7.981 665 2HD ARG 83 1HD ARG 83 7.767 -10.307 -6.741 666 HE ARG 83 HE ARG 83 4.978 -9.667 -7.523 667 1HH1 ARG 83 2HH1 ARG 83 7.473 -11.393 -8.891 668 2HH1 ARG 83 1HH1 ARG 83 6.695 -12.939 -8.821 669 1HH2 ARG 83 1HH2 ARG 83 4.063 -11.820 -6.861 670 2HH2 ARG 83 2HH2 ARG 83 4.763 -13.180 -7.672 671 H TRP 84 H TRP 84 3.657 -6.940 -3.646 672 HA TRP 84 HA TRP 84 1.904 -9.294 -4.154 673 1HB TRP 84 2HB TRP 84 0.192 -7.757 -2.747 674 2HB TRP 84 1HB TRP 84 1.188 -9.000 -2.010 675 HD1 TRP 84 HD1 TRP 84 3.830 -7.839 -1.426 676 HE1 TRP 84 HE1 TRP 84 4.201 -5.732 0.022 677 HE3 TRP 84 HE3 TRP 84 -0.786 -5.705 -1.800 678 HZ2 TRP 84 HZ2 TRP 84 2.715 -3.449 0.909 679 HZ3 TRP 84 HZ3 TRP 84 -1.290 -3.574 -0.641 680 HH2 TRP 84 HH2 TRP 84 0.453 -2.443 0.711 681 H GLU 85 H GLU 85 -0.448 -8.364 -4.717 682 HA GLU 85 HA GLU 85 -0.047 -6.154 -6.687 683 1HB GLU 85 2HB GLU 85 -0.225 -8.401 -7.762 684 2HB GLU 85 1HB GLU 85 -1.813 -8.594 -7.024 685 1HG GLU 85 2HG GLU 85 -2.228 -6.220 -8.182 686 2HG GLU 85 1HG GLU 85 -0.973 -6.813 -9.268 687 H PHE 86 H PHE 86 -1.140 -4.445 -5.801 688 HA PHE 86 HA PHE 86 -3.292 -4.508 -3.976 689 1HB PHE 86 2HB PHE 86 -2.454 -2.491 -6.055 690 2HB PHE 86 1HB PHE 86 -3.847 -2.207 -5.018 691 HD1 PHE 86 HD2 PHE 86 -0.186 -2.786 -5.054 692 HD2 PHE 86 HD1 PHE 86 -3.594 -1.640 -2.713 693 HE1 PHE 86 HE2 PHE 86 1.323 -2.007 -3.246 694 HE2 PHE 86 HE1 PHE 86 -2.090 -0.861 -0.902 695 HZ PHE 86 HZ PHE 86 0.369 -1.043 -1.168 696 H GLU 87 H GLU 87 -5.520 -4.688 -4.213 697 HA GLU 87 HA GLU 87 -6.518 -5.294 -6.966 698 1HB GLU 87 2HB GLU 87 -7.103 -6.408 -4.275 699 2HB GLU 87 1HB GLU 87 -8.501 -6.182 -5.328 700 1HG GLU 87 2HG GLU 87 -7.327 -7.444 -7.121 701 2HG GLU 87 1HG GLU 87 -5.979 -7.721 -6.017 702 H ASN 88 H ASN 88 -8.598 -4.369 -7.556 703 HA ASN 88 HA ASN 88 -9.000 -1.708 -6.371 704 1HB ASN 88 2HB ASN 88 -9.087 -2.349 -8.897 705 2HB ASN 88 1HB ASN 88 -10.728 -2.893 -8.533 706 1HD2 ASN 88 2HD2 ASN 88 -11.598 0.493 -9.260 707 2HD2 ASN 88 1HD2 ASN 88 -11.593 -1.093 -9.866 708 H GLU 89 H GLU 89 -10.423 -4.855 -6.069 709 HA GLU 89 HA GLU 89 -12.230 -3.945 -4.003 710 1HB GLU 89 2HB GLU 89 -14.334 -4.652 -5.207 711 2HB GLU 89 1HB GLU 89 -13.601 -3.180 -5.840 712 1HG GLU 89 2HG GLU 89 -13.336 -4.119 -7.871 713 2HG GLU 89 1HG GLU 89 -12.453 -5.477 -7.174 714 H ARG 90 H ARG 90 -11.477 -5.638 -2.732 715 HA ARG 90 HA ARG 90 -11.322 -8.368 -3.780 716 1HB ARG 90 2HB ARG 90 -9.856 -7.293 -1.914 717 2HB ARG 90 1HB ARG 90 -11.223 -7.642 -0.856 718 1HG ARG 90 2HG ARG 90 -11.121 -10.037 -1.797 719 2HG ARG 90 1HG ARG 90 -9.534 -9.592 -2.426 720 1HD ARG 90 2HD ARG 90 -8.578 -9.517 -0.344 721 2HD ARG 90 1HD ARG 90 -10.054 -8.934 0.428 722 HE ARG 90 HE ARG 90 -9.520 -11.790 -0.270 723 1HH1 ARG 90 2HH1 ARG 90 -12.412 -10.684 -0.007 724 2HH1 ARG 90 1HH1 ARG 90 -12.774 -11.162 1.619 725 1HH2 ARG 90 1HH2 ARG 90 -9.471 -11.824 2.441 726 2HH2 ARG 90 2HH2 ARG 90 -11.110 -11.808 3.003 727 H HIS 91 H HIS 91 -13.240 -6.807 -1.177 728 HA HIS 91 HA HIS 91 -15.498 -8.613 -1.903 729 1HB HIS 91 2HB HIS 91 -13.941 -8.695 0.549 730 2HB HIS 91 1HB HIS 91 -15.619 -8.292 0.909 731 HD1 HIS 91 HD1 HIS 91 -16.656 -10.457 1.618 732 HD2 HIS 91 HD2 HIS 91 -14.322 -10.910 -1.805 733 HE1 HIS 91 HE1 HIS 91 -16.990 -12.842 0.835 734 H ALA 92 HN ALA 92 -17.524 -7.813 -0.537 735 HA ALA 92 HA ALA 92 -17.492 -4.858 -0.220 736 1HB ALA 92 3HB ALA 92 -18.191 -5.444 -2.580 737 2HB ALA 92 2HB ALA 92 -19.578 -6.287 -1.890 738 3HB ALA 92 1HB ALA 92 -19.402 -4.548 -1.663 No H/Q in entry = 738 Start of MODEL 2 Raw file had 756 H/Q atoms Start of MODEL 2 1 1H ALA 1 1H ALA 1 -16.833 11.167 -7.455 2 2H ALA 1 3H ALA 1 -16.937 10.010 -8.689 3 3H ALA 1 2H ALA 1 -17.739 9.751 -7.214 4 HA ALA 1 HA ALA 1 -15.691 9.511 -6.043 5 1HB ALA 1 1HB ALA 1 -15.963 7.945 -8.611 6 2HB ALA 1 3HB ALA 1 -14.682 7.593 -7.451 7 3HB ALA 1 2HB ALA 1 -16.373 7.440 -6.971 8 H ARG 2 H ARG 2 -14.381 11.404 -6.096 9 HA ARG 2 HA ARG 2 -11.966 11.165 -7.689 10 1HB ARG 2 2HB ARG 2 -12.206 13.378 -8.827 11 2HB ARG 2 1HB ARG 2 -13.372 12.185 -9.399 12 1HG ARG 2 2HG ARG 2 -14.640 13.414 -7.215 13 2HG ARG 2 1HG ARG 2 -13.848 14.737 -8.070 14 1HD ARG 2 2HD ARG 2 -14.865 13.828 -10.209 15 2HD ARG 2 1HD ARG 2 -15.816 12.737 -9.204 16 HE ARG 2 HE ARG 2 -16.057 15.712 -9.173 17 1HH1 ARG 2 2HH1 ARG 2 -16.781 13.761 -6.783 18 2HH1 ARG 2 1HH1 ARG 2 -18.503 13.738 -6.965 19 1HH2 ARG 2 1HH2 ARG 2 -18.456 15.157 -10.126 20 2HH2 ARG 2 2HH2 ARG 2 -19.451 14.528 -8.857 21 HA PRO 3 HA PRO 3 -11.692 13.618 -3.826 22 1HB PRO 3 2HB PRO 3 -10.182 11.901 -2.311 23 2HB PRO 3 1HB PRO 3 -11.954 11.893 -2.324 24 1HG PRO 3 2HG PRO 3 -10.057 9.981 -3.594 25 2HG PRO 3 1HG PRO 3 -11.714 9.712 -3.031 26 1HD PRO 3 2HD PRO 3 -10.927 10.085 -5.712 27 2HD PRO 3 1HD PRO 3 -12.586 10.165 -5.094 28 H ALA 4 H ALA 4 -9.564 14.282 -2.660 29 HA ALA 4 HA ALA 4 -7.619 15.013 -4.651 30 1HB ALA 4 1HB ALA 4 -8.068 16.405 -2.667 31 2HB ALA 4 3HB ALA 4 -7.430 15.133 -1.625 32 3HB ALA 4 2HB ALA 4 -6.362 15.968 -2.754 33 H PHE 5 H PHE 5 -7.843 12.347 -2.371 34 HA PHE 5 HA PHE 5 -5.061 11.587 -2.464 35 1HB PHE 5 2HB PHE 5 -6.703 10.799 -0.725 36 2HB PHE 5 1HB PHE 5 -7.443 9.781 -1.961 37 HD1 PHE 5 HD2 PHE 5 -4.136 10.522 -0.360 38 HD2 PHE 5 HD1 PHE 5 -6.588 7.638 -2.392 39 HE1 PHE 5 HE2 PHE 5 -2.411 8.782 0.026 40 HE2 PHE 5 HE1 PHE 5 -4.862 5.899 -2.005 41 HZ PHE 5 HZ PHE 5 -2.775 6.470 -0.796 42 H VAL 6 H VAL 6 -7.933 10.516 -4.293 43 HA VAL 6 HA VAL 6 -6.506 8.589 -5.890 44 HB VAL 6 HB VAL 6 -9.096 10.070 -6.458 45 1HG1 VAL 6 2HG1 VAL 6 -7.641 7.853 -7.851 46 2HG1 VAL 6 1HG1 VAL 6 -9.402 7.794 -7.794 47 3HG1 VAL 6 3HG1 VAL 6 -8.590 9.173 -8.532 48 1HG2 VAL 6 1HG2 VAL 6 -8.850 8.590 -4.343 49 2HG2 VAL 6 3HG2 VAL 6 -10.210 8.256 -5.416 50 3HG2 VAL 6 2HG2 VAL 6 -8.774 7.236 -5.470 51 H ASN 7 H ASN 7 -7.035 12.059 -6.152 52 HA ASN 7 HA ASN 7 -6.246 12.332 -8.909 53 1HB ASN 7 2HB ASN 7 -6.315 14.231 -6.561 54 2HB ASN 7 1HB ASN 7 -5.705 14.736 -8.137 55 1HD2 ASN 7 2HD2 ASN 7 -9.008 14.087 -9.681 56 2HD2 ASN 7 1HD2 ASN 7 -7.402 13.613 -9.957 57 H LYS 8 H LYS 8 -4.460 12.448 -5.843 58 HA LYS 8 HA LYS 8 -1.908 13.004 -7.144 59 1HB LYS 8 2HB LYS 8 -0.959 12.572 -4.876 60 2HB LYS 8 1HB LYS 8 -2.269 13.752 -4.848 61 1HG LYS 8 2HG LYS 8 -3.822 12.155 -3.991 62 2HG LYS 8 1HG LYS 8 -2.747 10.807 -4.352 63 1HD LYS 8 2HD LYS 8 -2.696 11.298 -1.949 64 2HD LYS 8 1HD LYS 8 -1.131 11.668 -2.672 65 1HE LYS 8 2HE LYS 8 -1.789 14.058 -2.832 66 2HE LYS 8 1HE LYS 8 -3.325 13.674 -2.056 67 1HZ LYS 8 2HZ LYS 8 -0.975 12.738 -0.638 68 2HZ LYS 8 1HZ LYS 8 -1.114 14.428 -0.744 69 3HZ LYS 8 3HZ LYS 8 -2.366 13.519 -0.051 70 H LEU 9 H LEU 9 -3.770 10.156 -6.538 71 HA LEU 9 HA LEU 9 -1.498 8.321 -6.481 72 1HB LEU 9 2HB LEU 9 -3.664 7.810 -5.363 73 2HB LEU 9 1HB LEU 9 -4.446 7.763 -6.943 74 HG LEU 9 HG LEU 9 -2.707 5.993 -7.579 75 1HD1 LEU 9 1HD1 LEU 9 -2.382 5.989 -4.563 76 2HD1 LEU 9 3HD1 LEU 9 -1.732 4.764 -5.652 77 3HD1 LEU 9 2HD1 LEU 9 -1.140 6.423 -5.737 78 1HD2 LEU 9 1HD2 LEU 9 -5.074 5.466 -7.066 79 2HD2 LEU 9 3HD2 LEU 9 -3.996 4.193 -6.493 80 3HD2 LEU 9 2HD2 LEU 9 -4.671 5.356 -5.353 81 H TRP 10 H TRP 10 -3.598 9.698 -8.937 82 HA TRP 10 HA TRP 10 -2.960 7.755 -10.990 83 1HB TRP 10 2HB TRP 10 -4.126 10.542 -11.074 84 2HB TRP 10 1HB TRP 10 -3.850 9.590 -12.530 85 HD1 TRP 10 HD1 TRP 10 -6.584 10.427 -10.514 86 HE1 TRP 10 HE1 TRP 10 -8.372 8.574 -10.390 87 HE3 TRP 10 HE3 TRP 10 -3.856 6.451 -12.192 88 HZ2 TRP 10 HZ2 TRP 10 -8.612 5.781 -10.922 89 HZ3 TRP 10 HZ3 TRP 10 -4.888 4.206 -12.373 90 HH2 TRP 10 HH2 TRP 10 -7.261 3.865 -11.741 91 H SER 11 H SER 11 -1.006 10.140 -9.586 92 HA SER 11 HA SER 11 0.496 10.545 -12.133 93 1HB SER 11 2HB SER 11 1.531 12.465 -11.042 94 2HB SER 11 1HB SER 11 -0.220 12.589 -10.909 95 HG SER 11 HG SER 11 0.638 12.974 -8.897 96 H MET 12 H MET 12 0.944 9.610 -8.721 97 HA MET 12 HA MET 12 3.774 9.030 -9.144 98 1HB MET 12 2HB MET 12 3.721 8.181 -6.826 99 2HB MET 12 1HB MET 12 2.980 9.774 -6.943 100 1HG MET 12 2HG MET 12 1.241 8.829 -5.828 101 2HG MET 12 1HG MET 12 0.817 8.143 -7.393 102 1HE MET 12 3HE MET 12 1.996 8.057 -4.137 103 2HE MET 12 2HE MET 12 1.578 6.436 -3.587 104 3HE MET 12 1HE MET 12 3.241 6.804 -4.037 105 H VAL 13 H VAL 13 0.777 7.135 -9.101 106 HA VAL 13 HA VAL 13 2.178 4.585 -9.112 107 HB VAL 13 HB VAL 13 -0.665 5.119 -10.014 108 1HG1 VAL 13 1HG1 VAL 13 0.284 2.892 -10.559 109 2HG1 VAL 13 3HG1 VAL 13 0.712 2.671 -8.865 110 3HG1 VAL 13 2HG1 VAL 13 -0.982 2.770 -9.341 111 1HG2 VAL 13 1HG2 VAL 13 -0.260 6.042 -7.746 112 2HG2 VAL 13 3HG2 VAL 13 -1.299 4.620 -7.688 113 3HG2 VAL 13 2HG2 VAL 13 0.401 4.489 -7.242 114 H ASN 14 H ASN 14 1.595 6.962 -11.526 115 HA ASN 14 HA ASN 14 1.256 5.364 -13.842 116 1HB ASN 14 2HB ASN 14 1.026 7.819 -13.829 117 2HB ASN 14 1HB ASN 14 2.754 7.991 -13.555 118 1HD2 ASN 14 2HD2 ASN 14 1.570 7.863 -17.298 119 2HD2 ASN 14 1HD2 ASN 14 0.666 8.420 -15.974 120 H ASP 15 H ASP 15 4.398 6.996 -13.736 121 HA ASP 15 HA ASP 15 6.176 5.020 -12.987 122 1HB ASP 15 2HB ASP 15 6.800 4.008 -15.275 123 2HB ASP 15 1HB ASP 15 5.365 3.359 -14.487 124 H LYS 16 H LYS 16 6.071 7.864 -13.265 125 HA LYS 16 HA LYS 16 8.014 8.503 -15.404 126 1HB LYS 16 2HB LYS 16 5.936 9.940 -14.558 127 2HB LYS 16 1HB LYS 16 7.117 10.528 -13.391 128 1HG LYS 16 2HG LYS 16 8.413 10.507 -15.929 129 2HG LYS 16 1HG LYS 16 6.829 11.239 -16.170 130 1HD LYS 16 2HD LYS 16 7.513 12.497 -13.898 131 2HD LYS 16 1HD LYS 16 9.129 12.195 -14.537 132 1HE LYS 16 2HE LYS 16 8.058 13.101 -16.784 133 2HE LYS 16 1HE LYS 16 6.927 13.879 -15.675 134 1HZ LYS 16 2HZ LYS 16 9.082 14.567 -14.448 135 2HZ LYS 16 1HZ LYS 16 9.831 14.269 -15.944 136 3HZ LYS 16 3HZ LYS 16 8.599 15.429 -15.831 137 H SER 17 H SER 17 7.834 9.392 -11.940 138 HA SER 17 HA SER 17 10.780 9.426 -11.813 139 1HB SER 17 2HB SER 17 10.321 10.173 -9.430 140 2HB SER 17 1HB SER 17 9.668 11.232 -10.677 141 HG SER 17 HG SER 17 8.381 9.891 -8.747 142 H ASN 18 H ASN 18 8.066 7.487 -10.703 143 HA ASN 18 HA ASN 18 9.917 5.679 -9.226 144 1HB ASN 18 2HB ASN 18 6.890 5.539 -9.377 145 2HB ASN 18 1HB ASN 18 7.942 4.717 -8.225 146 1HD2 ASN 18 2HD2 ASN 18 6.657 8.412 -7.365 147 2HD2 ASN 18 1HD2 ASN 18 6.006 7.468 -8.617 148 H GLU 19 H GLU 19 9.822 5.872 -12.177 149 HA GLU 19 HA GLU 19 8.359 3.706 -13.321 150 1HB GLU 19 2HB GLU 19 9.656 5.658 -14.462 151 2HB GLU 19 1HB GLU 19 11.044 4.583 -14.360 152 1HG GLU 19 2HG GLU 19 8.660 3.206 -15.358 153 2HG GLU 19 1HG GLU 19 9.117 4.571 -16.376 154 H LYS 20 H LYS 20 11.258 3.744 -11.394 155 HA LYS 20 HA LYS 20 11.870 0.935 -12.176 156 1HB LYS 20 2HB LYS 20 13.440 3.191 -11.046 157 2HB LYS 20 1HB LYS 20 13.858 1.583 -10.459 158 1HG LYS 20 2HG LYS 20 13.663 1.063 -13.109 159 2HG LYS 20 1HG LYS 20 14.179 2.748 -13.172 160 1HD LYS 20 2HD LYS 20 15.574 0.583 -11.570 161 2HD LYS 20 1HD LYS 20 16.101 1.150 -13.155 162 1HE LYS 20 2HE LYS 20 15.922 3.527 -11.921 163 2HE LYS 20 1HE LYS 20 16.240 2.519 -10.509 164 1HZ LYS 20 2HZ LYS 20 18.147 1.570 -11.766 165 2HZ LYS 20 1HZ LYS 20 17.893 2.750 -12.960 166 3HZ LYS 20 3HZ LYS 20 18.317 3.217 -11.386 167 H PHE 21 H PHE 21 9.561 1.695 -10.467 168 HA PHE 21 HA PHE 21 10.168 -0.130 -8.230 169 1HB PHE 21 2HB PHE 21 9.348 2.756 -7.841 170 2HB PHE 21 1HB PHE 21 9.108 1.529 -6.598 171 HD1 PHE 21 HD1 PHE 21 11.362 -0.115 -6.494 172 HD2 PHE 21 HD2 PHE 21 11.236 4.064 -7.472 173 HE1 PHE 21 HE1 PHE 21 13.732 0.116 -5.806 174 HE2 PHE 21 HE2 PHE 21 13.606 4.297 -6.784 175 HZ PHE 21 HZ PHE 21 14.855 2.322 -5.951 176 H ILE 22 H ILE 22 7.529 2.231 -8.640 177 HA ILE 22 HA ILE 22 5.597 0.003 -8.501 178 HB ILE 22 HB ILE 22 5.259 2.058 -7.135 179 1HG1 ILE 22 2HG1 ILE 22 3.063 1.899 -9.195 180 2HG1 ILE 22 1HG1 ILE 22 3.388 0.546 -8.112 181 1HG2 ILE 22 1HG2 ILE 22 6.167 3.612 -8.959 182 2HG2 ILE 22 3HG2 ILE 22 4.593 3.451 -9.737 183 3HG2 ILE 22 2HG2 ILE 22 4.712 4.160 -8.128 184 1HD1 ILE 22 3HD1 ILE 22 3.370 2.605 -6.332 185 2HD1 ILE 22 2HD1 ILE 22 2.208 3.197 -7.519 186 3HD1 ILE 22 1HD1 ILE 22 1.945 1.643 -6.726 187 H HIS 23 H HIS 23 3.898 -0.251 -10.083 188 HA HIS 23 HA HIS 23 3.780 1.180 -12.554 189 1HB HIS 23 2HB HIS 23 6.045 -0.113 -12.683 190 2HB HIS 23 1HB HIS 23 5.037 -1.540 -12.918 191 HD1 HIS 23 HD1 HIS 23 6.145 -1.556 -15.387 192 HD2 HIS 23 HD2 HIS 23 3.544 1.601 -14.587 193 HE1 HIS 23 HE1 HIS 23 5.523 -0.555 -17.629 194 H TRP 24 H TRP 24 1.893 0.616 -13.598 195 HA TRP 24 HA TRP 24 0.063 -1.160 -12.267 196 1HB TRP 24 2HB TRP 24 -0.063 0.120 -15.012 197 2HB TRP 24 1HB TRP 24 -1.399 -0.738 -14.243 198 HD1 TRP 24 HD1 TRP 24 0.629 2.471 -14.024 199 HE1 TRP 24 HE1 TRP 24 -0.579 4.115 -12.448 200 HE3 TRP 24 HE3 TRP 24 -3.031 -0.588 -12.204 201 HZ2 TRP 24 HZ2 TRP 24 -2.807 4.127 -10.650 202 HZ3 TRP 24 HZ3 TRP 24 -4.681 0.263 -10.563 203 HH2 TRP 24 HH2 TRP 24 -4.574 2.615 -9.784 204 H SER 25 H SER 25 -1.163 -2.847 -13.725 205 HA SER 25 HA SER 25 0.870 -4.797 -14.614 206 1HB SER 25 2HB SER 25 -1.258 -5.219 -13.106 207 2HB SER 25 1HB SER 25 -2.089 -5.321 -14.655 208 HG SER 25 HG SER 25 -1.061 -7.306 -13.667 209 H THR 26 H THR 26 -0.823 -6.192 -16.499 210 HA THR 26 HA THR 26 -0.115 -4.926 -18.926 211 HB THR 26 HB THR 26 -2.477 -6.789 -18.648 212 HG1 THR 26 HG1 THR 26 -1.167 -8.274 -17.993 213 1HG2 THR 26 1HG2 THR 26 -0.581 -5.940 -20.789 214 2HG2 THR 26 3HG2 THR 26 -1.129 -7.617 -20.805 215 3HG2 THR 26 2HG2 THR 26 -2.303 -6.304 -20.892 216 H SER 27 H SER 27 -1.238 -3.611 -20.365 217 HA SER 27 HA SER 27 -2.638 -1.818 -20.931 218 1HB SER 27 2HB SER 27 -5.142 -2.446 -20.567 219 2HB SER 27 1HB SER 27 -4.178 -3.397 -21.691 220 HG SER 27 HG SER 27 -5.303 -4.085 -19.281 221 H GLY 28 H GLY 28 -1.607 -1.853 -18.100 222 1HA GLY 28 2HA GLY 28 -1.912 -0.638 -16.121 223 2HA GLY 28 1HA GLY 28 -2.830 0.484 -17.122 224 H GLU 29 H GLU 29 -3.058 -2.134 -14.816 225 HA GLU 29 HA GLU 29 -5.990 -1.614 -14.640 226 1HB GLU 29 2HB GLU 29 -5.543 -3.735 -15.929 227 2HB GLU 29 1HB GLU 29 -4.779 -4.386 -14.480 228 1HG GLU 29 2HG GLU 29 -6.843 -5.083 -13.869 229 2HG GLU 29 1HG GLU 29 -7.193 -3.391 -13.522 230 H SER 30 H SER 30 -3.641 -3.763 -12.979 231 HA SER 30 HA SER 30 -4.585 -2.571 -10.408 232 1HB SER 30 2HB SER 30 -3.000 -5.095 -10.441 233 2HB SER 30 1HB SER 30 -4.343 -4.624 -9.402 234 HG SER 30 HG SER 30 -4.389 -5.560 -12.072 235 H ILE 31 H ILE 31 -2.839 -2.595 -8.659 236 HA ILE 31 HA ILE 31 -0.388 -1.372 -9.794 237 HB ILE 31 HB ILE 31 -1.383 -1.485 -6.925 238 1HG1 ILE 31 2HG1 ILE 31 -1.514 0.744 -8.991 239 2HG1 ILE 31 1HG1 ILE 31 -2.886 -0.234 -8.470 240 1HG2 ILE 31 3HG2 ILE 31 0.896 -0.035 -8.302 241 2HG2 ILE 31 2HG2 ILE 31 0.252 0.491 -6.747 242 3HG2 ILE 31 1HG2 ILE 31 0.980 -1.107 -6.903 243 1HD1 ILE 31 2HD1 ILE 31 -2.089 0.568 -6.058 244 2HD1 ILE 31 1HD1 ILE 31 -1.407 1.902 -6.988 245 3HD1 ILE 31 3HD1 ILE 31 -3.140 1.577 -7.053 246 H VAL 32 H VAL 32 1.404 -2.616 -9.980 247 HA VAL 32 HA VAL 32 1.622 -5.051 -8.266 248 HB VAL 32 HB VAL 32 3.168 -4.412 -10.794 249 1HG1 VAL 32 1HG1 VAL 32 2.987 -6.706 -8.895 250 2HG1 VAL 32 3HG1 VAL 32 3.147 -7.089 -10.609 251 3HG1 VAL 32 2HG1 VAL 32 4.375 -6.111 -9.805 252 1HG2 VAL 32 1HG2 VAL 32 0.695 -4.563 -11.186 253 2HG2 VAL 32 3HG2 VAL 32 1.596 -5.865 -11.964 254 3HG2 VAL 32 2HG2 VAL 32 0.717 -6.174 -10.467 255 H VAL 33 H VAL 33 3.238 -5.146 -6.776 256 HA VAL 33 HA VAL 33 5.295 -2.974 -6.837 257 HB VAL 33 HB VAL 33 4.205 -4.516 -4.461 258 1HG1 VAL 33 3HG1 VAL 33 6.259 -2.304 -4.719 259 2HG1 VAL 33 2HG1 VAL 33 5.451 -2.679 -3.197 260 3HG1 VAL 33 1HG1 VAL 33 6.469 -3.889 -3.978 261 1HG2 VAL 33 1HG2 VAL 33 2.699 -2.795 -5.630 262 2HG2 VAL 33 3HG2 VAL 33 2.989 -2.540 -3.910 263 3HG2 VAL 33 2HG2 VAL 33 3.863 -1.580 -5.104 264 HA PRO 34 HA PRO 34 7.620 -6.831 -7.492 265 1HB PRO 34 2HB PRO 34 9.744 -5.668 -8.784 266 2HB PRO 34 1HB PRO 34 8.277 -6.211 -9.617 267 1HG PRO 34 2HG PRO 34 9.152 -3.441 -8.971 268 2HG PRO 34 1HG PRO 34 8.094 -4.012 -10.272 269 1HD PRO 34 2HD PRO 34 7.254 -2.789 -7.867 270 2HD PRO 34 1HD PRO 34 6.219 -3.644 -9.026 271 H ASN 35 H ASN 35 8.611 -3.656 -6.332 272 HA ASN 35 HA ASN 35 10.388 -4.993 -4.339 273 1HB ASN 35 2HB ASN 35 10.957 -2.538 -6.014 274 2HB ASN 35 1HB ASN 35 11.829 -2.878 -4.518 275 1HD2 ASN 35 2HD2 ASN 35 13.078 -4.668 -7.830 276 2HD2 ASN 35 1HD2 ASN 35 12.134 -3.257 -7.787 277 H ARG 36 H ARG 36 8.769 -4.798 -2.737 278 HA ARG 36 HA ARG 36 7.479 -2.226 -2.211 279 1HB ARG 36 2HB ARG 36 6.369 -4.438 -1.792 280 2HB ARG 36 1HB ARG 36 7.525 -4.723 -0.492 281 1HG ARG 36 2HG ARG 36 6.659 -2.258 0.209 282 2HG ARG 36 1HG ARG 36 5.210 -2.864 -0.591 283 1HD ARG 36 2HD ARG 36 5.149 -3.421 1.800 284 2HD ARG 36 1HD ARG 36 5.288 -4.891 0.835 285 HE ARG 36 HE ARG 36 7.896 -3.908 1.602 286 1HH1 ARG 36 2HH1 ARG 36 7.579 -6.741 1.634 287 2HH1 ARG 36 1HH1 ARG 36 7.320 -7.143 3.300 288 1HH2 ARG 36 1HH2 ARG 36 6.489 -3.907 4.228 289 2HH2 ARG 36 2HH2 ARG 36 6.704 -5.538 4.767 290 H GLU 37 H GLU 37 10.268 -3.982 -1.031 291 HA GLU 37 HA GLU 37 10.591 -2.461 1.410 292 1HB GLU 37 2HB GLU 37 12.860 -3.451 1.464 293 2HB GLU 37 1HB GLU 37 11.627 -4.671 1.149 294 1HG GLU 37 2HG GLU 37 12.122 -4.593 -1.251 295 2HG GLU 37 1HG GLU 37 13.299 -3.307 -0.986 296 H ARG 38 H ARG 38 11.742 -2.062 -1.909 297 HA ARG 38 HA ARG 38 13.404 0.257 -1.129 298 1HB ARG 38 2HB ARG 38 12.928 -1.234 -3.706 299 2HB ARG 38 1HB ARG 38 13.761 0.320 -3.691 300 1HG ARG 38 2HG ARG 38 15.638 -0.545 -2.727 301 2HG ARG 38 1HG ARG 38 14.720 -1.617 -1.669 302 1HD ARG 38 2HD ARG 38 14.233 -3.057 -3.677 303 2HD ARG 38 1HD ARG 38 15.350 -2.050 -4.600 304 HE ARG 38 HE ARG 38 16.955 -2.765 -2.567 305 1HH1 ARG 38 2HH1 ARG 38 16.307 -4.988 -1.374 306 2HH1 ARG 38 1HH1 ARG 38 16.398 -6.314 -2.484 307 1HH2 ARG 38 1HH2 ARG 38 16.355 -4.292 -5.305 308 2HH2 ARG 38 2HH2 ARG 38 16.426 -5.919 -4.714 309 H PHE 39 H PHE 39 10.292 -0.427 -2.574 310 HA PHE 39 HA PHE 39 9.788 2.065 -3.847 311 1HB PHE 39 2HB PHE 39 8.297 0.266 -4.305 312 2HB PHE 39 1HB PHE 39 7.993 -0.023 -2.597 313 HD1 PHE 39 HD1 PHE 39 7.229 2.156 -5.480 314 HD2 PHE 39 HD2 PHE 39 6.441 1.371 -1.331 315 HE1 PHE 39 HE1 PHE 39 5.255 3.652 -5.574 316 HE2 PHE 39 HE2 PHE 39 4.466 2.867 -1.426 317 HZ PHE 39 HZ PHE 39 3.873 4.008 -3.546 318 H VAL 40 H VAL 40 8.756 1.013 -0.575 319 HA VAL 40 HA VAL 40 7.638 3.454 0.257 320 HB VAL 40 HB VAL 40 9.154 1.494 2.003 321 1HG1 VAL 40 1HG1 VAL 40 6.993 3.547 2.553 322 2HG1 VAL 40 3HG1 VAL 40 7.458 2.290 3.700 323 3HG1 VAL 40 2HG1 VAL 40 8.629 3.516 3.213 324 1HG2 VAL 40 2HG2 VAL 40 6.361 1.488 0.853 325 2HG2 VAL 40 1HG2 VAL 40 7.557 0.192 0.831 326 3HG2 VAL 40 3HG2 VAL 40 6.744 0.614 2.338 327 H GLN 41 H GLN 41 11.041 2.420 0.410 328 HA GLN 41 HA GLN 41 11.885 4.786 1.868 329 1HB GLN 41 2HB GLN 41 13.009 2.328 1.340 330 2HB GLN 41 1HB GLN 41 13.951 3.392 0.297 331 1HG GLN 41 2HG GLN 41 14.795 4.621 2.079 332 2HG GLN 41 1HG GLN 41 13.422 4.245 3.121 333 1HE2 GLN 41 2HE2 GLN 41 15.252 1.688 4.681 334 2HE2 GLN 41 1HE2 GLN 41 14.161 2.980 4.827 335 H GLU 42 H GLU 42 11.383 4.112 -1.518 336 HA GLU 42 HA GLU 42 12.678 6.735 -2.151 337 1HB GLU 42 2HB GLU 42 12.683 4.131 -3.661 338 2HB GLU 42 1HB GLU 42 12.930 5.661 -4.505 339 1HG GLU 42 2HG GLU 42 14.881 6.165 -3.229 340 2HG GLU 42 1HG GLU 42 14.533 4.890 -2.061 341 H VAL 43 H VAL 43 9.779 5.960 -1.533 342 HA VAL 43 HA VAL 43 8.635 7.471 -3.796 343 HB VAL 43 HB VAL 43 7.477 4.766 -3.048 344 1HG1 VAL 43 2HG1 VAL 43 6.700 7.018 -4.855 345 2HG1 VAL 43 1HG1 VAL 43 6.395 5.374 -5.415 346 3HG1 VAL 43 3HG1 VAL 43 5.678 5.939 -3.906 347 1HG2 VAL 43 3HG2 VAL 43 9.149 5.640 -5.423 348 2HG2 VAL 43 2HG2 VAL 43 9.582 4.427 -4.223 349 3HG2 VAL 43 1HG2 VAL 43 8.258 4.121 -5.347 350 H LEU 44 H LEU 44 8.132 5.988 -0.592 351 HA LEU 44 HA LEU 44 5.585 7.257 -0.143 352 1HB LEU 44 2HB LEU 44 6.622 5.230 1.073 353 2HB LEU 44 1HB LEU 44 7.474 6.425 2.051 354 HG LEU 44 HG LEU 44 5.292 7.472 2.628 355 1HD1 LEU 44 2HD1 LEU 44 4.346 5.381 0.722 356 2HD1 LEU 44 1HD1 LEU 44 3.337 5.695 2.134 357 3HD1 LEU 44 3HD1 LEU 44 3.717 7.003 1.014 358 1HD2 LEU 44 1HD2 LEU 44 6.437 5.451 3.859 359 2HD2 LEU 44 3HD2 LEU 44 4.796 5.921 4.308 360 3HD2 LEU 44 2HD2 LEU 44 5.058 4.538 3.245 361 HA PRO 45 HA PRO 45 7.965 10.575 2.135 362 1HB PRO 45 2HB PRO 45 10.666 10.895 1.784 363 2HB PRO 45 1HB PRO 45 9.952 9.908 3.072 364 1HG PRO 45 2HG PRO 45 11.270 9.037 0.542 365 2HG PRO 45 1HG PRO 45 11.168 8.203 2.103 366 1HD PRO 45 2HD PRO 45 9.600 7.614 -0.149 367 2HD PRO 45 1HD PRO 45 9.248 7.117 1.515 368 H LYS 46 H LYS 46 8.746 9.815 -1.160 369 HA LYS 46 HA LYS 46 9.559 12.500 -1.931 370 1HB LYS 46 2HB LYS 46 9.941 10.169 -3.123 371 2HB LYS 46 1HB LYS 46 8.410 10.562 -3.901 372 1HG LYS 46 2HG LYS 46 9.355 12.156 -5.198 373 2HG LYS 46 1HG LYS 46 10.243 12.850 -3.842 374 1HD LYS 46 2HD LYS 46 12.044 11.331 -4.101 375 2HD LYS 46 1HD LYS 46 11.098 10.258 -5.135 376 1HE LYS 46 2HE LYS 46 12.412 11.398 -6.700 377 2HE LYS 46 1HE LYS 46 10.927 12.348 -6.704 378 1HZ LYS 46 3HZ LYS 46 12.210 13.582 -4.768 379 2HZ LYS 46 2HZ LYS 46 13.559 13.014 -5.630 380 3HZ LYS 46 1HZ LYS 46 12.415 14.007 -6.397 381 H TYR 47 H TYR 47 6.552 11.322 -0.993 382 HA TYR 47 HA TYR 47 5.208 13.513 -2.500 383 1HB TYR 47 2HB TYR 47 4.233 10.660 -2.185 384 2HB TYR 47 1HB TYR 47 3.220 11.988 -2.756 385 HD1 TYR 47 HD2 TYR 47 6.402 10.147 -3.467 386 HD2 TYR 47 HD1 TYR 47 3.300 12.699 -5.004 387 HE1 TYR 47 HE2 TYR 47 7.309 9.877 -5.757 388 HE2 TYR 47 HE1 TYR 47 4.215 12.429 -7.293 389 HH TYR 47 HH TYR 47 6.344 11.850 -8.362 390 H PHE 48 H PHE 48 4.961 11.193 0.202 391 HA PHE 48 HA PHE 48 3.088 13.038 1.583 392 1HB PHE 48 2HB PHE 48 4.016 10.269 2.404 393 2HB PHE 48 1HB PHE 48 2.693 11.190 3.122 394 HD1 PHE 48 HD2 PHE 48 3.812 9.314 0.149 395 HD2 PHE 48 HD1 PHE 48 0.561 11.449 1.974 396 HE1 PHE 48 HE2 PHE 48 2.260 8.410 -1.560 397 HE2 PHE 48 HE1 PHE 48 -0.992 10.545 0.263 398 HZ PHE 48 HZ PHE 48 -0.143 9.024 -1.502 399 H LYS 49 H LYS 49 5.892 11.062 2.593 400 HA LYS 49 HA LYS 49 7.822 11.673 3.770 401 1HB LYS 49 2HB LYS 49 8.514 13.825 3.787 402 2HB LYS 49 1HB LYS 49 7.066 14.158 2.855 403 1HG LYS 49 2HG LYS 49 5.851 14.737 4.932 404 2HG LYS 49 1HG LYS 49 7.285 14.353 5.879 405 1HD LYS 49 2HD LYS 49 7.206 16.754 5.560 406 2HD LYS 49 1HD LYS 49 8.535 16.109 4.599 407 1HE LYS 49 2HE LYS 49 7.623 17.003 2.746 408 2HE LYS 49 1HE LYS 49 6.171 16.030 2.986 409 1HZ LYS 49 3HZ LYS 49 6.718 18.658 4.257 410 2HZ LYS 49 2HZ LYS 49 5.666 18.392 2.950 411 3HZ LYS 49 1HZ LYS 49 5.318 17.725 4.473 412 H HIS 50 H HIS 50 4.810 13.000 5.178 413 HA HIS 50 HA HIS 50 5.677 11.920 7.811 414 1HB HIS 50 2HB HIS 50 3.611 13.964 6.983 415 2HB HIS 50 1HB HIS 50 3.642 13.282 8.609 416 HD1 HIS 50 HD1 HIS 50 4.651 16.229 7.165 417 HD2 HIS 50 HD2 HIS 50 6.787 13.380 9.332 418 HE1 HIS 50 HE1 HIS 50 6.707 17.406 8.064 419 H SER 51 H SER 51 5.095 9.808 6.397 420 HA SER 51 HA SER 51 2.595 8.813 7.540 421 1HB SER 51 2HB SER 51 1.816 9.922 5.448 422 2HB SER 51 1HB SER 51 2.906 8.893 4.524 423 HG SER 51 HG SER 51 0.629 8.192 6.042 424 H ASN 52 H ASN 52 2.358 6.447 7.111 425 HA ASN 52 HA ASN 52 5.011 5.189 6.519 426 1HB ASN 52 2HB ASN 52 2.844 4.202 8.401 427 2HB ASN 52 1HB ASN 52 4.409 3.436 8.128 428 1HD2 ASN 52 2HD2 ASN 52 6.173 6.221 9.765 429 2HD2 ASN 52 1HD2 ASN 52 6.287 5.325 8.327 430 H PHE 53 H PHE 53 4.833 2.950 5.618 431 HA PHE 53 HA PHE 53 3.164 2.808 3.342 432 1HB PHE 53 2HB PHE 53 3.720 0.333 3.366 433 2HB PHE 53 1HB PHE 53 5.116 1.409 3.435 434 HD1 PHE 53 HD2 PHE 53 2.865 -0.728 5.494 435 HD2 PHE 53 HD1 PHE 53 6.585 1.412 5.313 436 HE1 PHE 53 HE2 PHE 53 3.582 -1.794 7.615 437 HE2 PHE 53 HE1 PHE 53 7.304 0.343 7.430 438 HZ PHE 53 HZ PHE 53 5.802 -1.261 8.582 439 H ALA 54 H ALA 54 2.590 1.680 6.637 440 HA ALA 54 HA ALA 54 0.272 0.089 6.086 441 1HB ALA 54 1HB ALA 54 1.476 1.371 8.488 442 2HB ALA 54 3HB ALA 54 -0.232 0.945 8.591 443 3HB ALA 54 2HB ALA 54 0.967 -0.300 8.241 444 H SER 55 H SER 55 0.678 3.539 6.861 445 HA SER 55 HA SER 55 -2.099 4.202 7.010 446 1HB SER 55 2HB SER 55 0.178 5.597 7.439 447 2HB SER 55 1HB SER 55 -0.240 6.210 5.842 448 HG SER 55 HG SER 55 -1.416 6.658 8.262 449 H PHE 56 H PHE 56 0.177 4.187 4.272 450 HA PHE 56 HA PHE 56 -1.582 5.232 2.300 451 1HB PHE 56 2HB PHE 56 0.943 4.736 2.125 452 2HB PHE 56 1HB PHE 56 0.464 3.083 1.742 453 HD1 PHE 56 HD2 PHE 56 -1.280 2.767 -0.153 454 HD2 PHE 56 HD1 PHE 56 0.984 6.369 0.437 455 HE1 PHE 56 HE2 PHE 56 -1.740 3.441 -2.497 456 HE2 PHE 56 HE1 PHE 56 0.526 7.042 -1.904 457 HZ PHE 56 HZ PHE 56 -0.837 5.578 -3.370 458 H VAL 57 H VAL 57 -1.171 1.945 3.548 459 HA VAL 57 HA VAL 57 -2.826 0.623 1.614 460 HB VAL 57 HB VAL 57 -2.382 -0.143 4.517 461 1HG1 VAL 57 3HG1 VAL 57 -3.481 -1.524 2.091 462 2HG1 VAL 57 2HG1 VAL 57 -2.599 -2.472 3.290 463 3HG1 VAL 57 1HG1 VAL 57 -4.046 -1.581 3.762 464 1HG2 VAL 57 3HG2 VAL 57 -0.388 0.252 2.710 465 2HG2 VAL 57 2HG2 VAL 57 -0.321 -0.980 3.969 466 3HG2 VAL 57 1HG2 VAL 57 -0.819 -1.416 2.336 467 H ARG 58 H ARG 58 -3.536 2.261 4.682 468 HA ARG 58 HA ARG 58 -6.291 1.467 4.855 469 1HB ARG 58 2HB ARG 58 -4.610 2.812 6.510 470 2HB ARG 58 1HB ARG 58 -5.557 4.158 5.875 471 1HG ARG 58 2HG ARG 58 -7.479 3.469 6.904 472 2HG ARG 58 1HG ARG 58 -7.113 1.760 6.672 473 1HD ARG 58 2HD ARG 58 -6.701 1.801 8.914 474 2HD ARG 58 1HD ARG 58 -5.141 2.458 8.419 475 HE ARG 58 HE ARG 58 -7.242 4.472 8.811 476 1HH1 ARG 58 2HH1 ARG 58 -4.100 4.382 9.175 477 2HH1 ARG 58 1HH1 ARG 58 -4.012 4.724 10.870 478 1HH2 ARG 58 1HH2 ARG 58 -7.387 4.164 11.430 479 2HH2 ARG 58 2HH2 ARG 58 -5.872 4.601 12.147 480 H GLN 59 H GLN 59 -4.710 4.283 3.339 481 HA GLN 59 HA GLN 59 -7.089 5.666 2.591 482 1HB GLN 59 2HB GLN 59 -4.284 5.615 1.502 483 2HB GLN 59 1HB GLN 59 -5.545 6.520 0.667 484 1HG GLN 59 2HG GLN 59 -4.737 8.152 2.101 485 2HG GLN 59 1HG GLN 59 -6.024 7.466 3.092 486 1HE2 GLN 59 2HE2 GLN 59 -2.109 6.744 4.095 487 2HE2 GLN 59 1HE2 GLN 59 -2.485 7.309 2.539 488 H LEU 60 H LEU 60 -5.251 3.116 0.924 489 HA LEU 60 HA LEU 60 -6.724 3.177 -1.517 490 1HB LEU 60 2HB LEU 60 -5.264 0.913 -0.131 491 2HB LEU 60 1HB LEU 60 -5.927 0.793 -1.762 492 HG LEU 60 HG LEU 60 -4.000 2.976 -0.935 493 1HD1 LEU 60 3HD1 LEU 60 -3.182 0.484 -0.803 494 2HD1 LEU 60 2HD1 LEU 60 -3.205 0.577 -2.564 495 3HD1 LEU 60 1HD1 LEU 60 -2.185 1.677 -1.635 496 1HD2 LEU 60 3HD2 LEU 60 -5.644 2.758 -3.137 497 2HD2 LEU 60 2HD2 LEU 60 -4.140 3.676 -3.097 498 3HD2 LEU 60 1HD2 LEU 60 -4.151 2.030 -3.729 499 H ASN 61 H ASN 61 -7.187 1.120 1.374 500 HA ASN 61 HA ASN 61 -9.573 -0.138 0.338 501 1HB ASN 61 2HB ASN 61 -8.129 -0.052 2.945 502 2HB ASN 61 1HB ASN 61 -9.819 -0.556 2.972 503 1HD2 ASN 61 2HD2 ASN 61 -7.014 -2.960 1.212 504 2HD2 ASN 61 1HD2 ASN 61 -6.616 -1.372 1.657 505 H MET 62 H MET 62 -9.032 2.957 1.770 506 HA MET 62 HA MET 62 -11.801 3.187 2.755 507 1HB MET 62 2HB MET 62 -9.684 4.208 3.855 508 2HB MET 62 1HB MET 62 -9.818 5.448 2.610 509 1HG MET 62 2HG MET 62 -11.575 6.437 3.634 510 2HG MET 62 1HG MET 62 -12.397 4.899 3.883 511 1HE MET 62 2HE MET 62 -12.661 7.206 5.764 512 2HE MET 62 1HE MET 62 -11.605 7.310 7.171 513 3HE MET 62 3HE MET 62 -11.034 7.862 5.591 514 H TYR 63 H TYR 63 -10.051 3.890 -0.150 515 HA TYR 63 HA TYR 63 -12.135 5.832 -1.013 516 1HB TYR 63 2HB TYR 63 -9.409 5.094 -2.077 517 2HB TYR 63 1HB TYR 63 -10.554 6.027 -3.043 518 HD1 TYR 63 HD2 TYR 63 -11.812 7.926 -1.474 519 HD2 TYR 63 HD1 TYR 63 -7.841 6.381 -0.944 520 HE1 TYR 63 HE2 TYR 63 -11.178 9.977 -0.231 521 HE2 TYR 63 HE1 TYR 63 -7.208 8.429 0.302 522 HH TYR 63 HH TYR 63 -9.201 10.434 1.677 523 H GLY 64 H GLY 64 -10.583 2.810 -2.123 524 1HA GLY 64 2HA GLY 64 -12.836 1.422 -2.911 525 2HA GLY 64 1HA GLY 64 -12.501 2.469 -4.292 526 H TRP 65 H TRP 65 -10.693 0.303 -2.086 527 HA TRP 65 HA TRP 65 -9.540 -1.072 -4.436 528 1HB TRP 65 2HB TRP 65 -7.863 0.325 -2.327 529 2HB TRP 65 1HB TRP 65 -7.226 -0.831 -3.496 530 HD1 TRP 65 HD1 TRP 65 -8.316 2.748 -3.130 531 HE1 TRP 65 HE1 TRP 65 -7.956 3.992 -5.362 532 HE3 TRP 65 HE3 TRP 65 -7.259 -1.207 -6.183 533 HZ2 TRP 65 HZ2 TRP 65 -7.306 3.386 -8.082 534 HZ3 TRP 65 HZ3 TRP 65 -6.775 -0.847 -8.586 535 HH2 TRP 65 HH2 TRP 65 -6.797 1.442 -9.539 536 H HIS 66 H HIS 66 -8.503 -3.120 -3.798 537 HA HIS 66 HA HIS 66 -9.201 -4.018 -1.040 538 1HB HIS 66 2HB HIS 66 -9.867 -5.387 -3.656 539 2HB HIS 66 1HB HIS 66 -9.890 -6.227 -2.104 540 HD1 HIS 66 HD1 HIS 66 -11.864 -5.808 -0.564 541 HD2 HIS 66 HD2 HIS 66 -11.823 -3.232 -3.841 542 HE1 HIS 66 HE1 HIS 66 -14.064 -4.555 -0.518 543 H LYS 67 H LYS 67 -7.485 -4.953 -0.075 544 HA LYS 67 HA LYS 67 -5.076 -5.547 -1.660 545 1HB LYS 67 2HB LYS 67 -4.065 -6.006 0.610 546 2HB LYS 67 1HB LYS 67 -4.715 -4.377 0.424 547 1HG LYS 67 2HG LYS 67 -6.506 -4.780 1.836 548 2HG LYS 67 1HG LYS 67 -6.529 -6.507 1.487 549 1HD LYS 67 2HD LYS 67 -4.458 -6.809 2.784 550 2HD LYS 67 1HD LYS 67 -4.412 -5.079 3.122 551 1HE LYS 67 2HE LYS 67 -6.984 -6.349 3.795 552 2HE LYS 67 1HE LYS 67 -5.619 -6.962 4.730 553 1HZ LYS 67 3HZ LYS 67 -6.089 -4.064 4.363 554 2HZ LYS 67 2HZ LYS 67 -6.810 -4.937 5.630 555 3HZ LYS 67 1HZ LYS 67 -5.118 -4.834 5.520 556 H VAL 68 H VAL 68 -6.334 -7.366 -2.757 557 HA VAL 68 HA VAL 68 -6.491 -9.827 -1.095 558 HB VAL 68 HB VAL 68 -7.623 -10.803 -3.091 559 1HG1 VAL 68 2HG1 VAL 68 -8.813 -9.483 -1.248 560 2HG1 VAL 68 1HG1 VAL 68 -8.864 -8.137 -2.387 561 3HG1 VAL 68 3HG1 VAL 68 -9.686 -9.649 -2.773 562 1HG2 VAL 68 2HG2 VAL 68 -6.460 -8.509 -4.374 563 2HG2 VAL 68 1HG2 VAL 68 -7.368 -9.829 -5.108 564 3HG2 VAL 68 3HG2 VAL 68 -8.212 -8.395 -4.527 565 H GLN 69 H GLN 69 -4.863 -11.305 -1.204 566 HA GLN 69 HA GLN 69 -2.873 -11.011 -3.417 567 1HB GLN 69 2HB GLN 69 -2.633 -11.851 -0.538 568 2HB GLN 69 1HB GLN 69 -1.426 -12.367 -1.716 569 1HG GLN 69 2HG GLN 69 -0.540 -10.281 -1.914 570 2HG GLN 69 1HG GLN 69 -2.120 -9.501 -1.861 571 1HE2 GLN 69 2HE2 GLN 69 -2.140 -9.584 1.821 572 2HE2 GLN 69 1HE2 GLN 69 -3.178 -10.022 0.551 573 H ASP 70 H ASP 70 -5.308 -12.518 -3.724 574 HA ASP 70 HA ASP 70 -5.855 -14.500 -4.864 575 1HB ASP 70 2HB ASP 70 -3.099 -14.620 -5.018 576 2HB ASP 70 1HB ASP 70 -3.489 -16.098 -4.139 577 H VAL 71 H VAL 71 -3.858 -15.488 -2.047 578 HA VAL 71 HA VAL 71 -4.437 -16.698 -0.136 579 HB VAL 71 HB VAL 71 -7.331 -16.157 -0.841 580 1HG1 VAL 71 3HG1 VAL 71 -5.784 -16.944 1.615 581 2HG1 VAL 71 2HG1 VAL 71 -7.312 -16.079 1.779 582 3HG1 VAL 71 1HG1 VAL 71 -7.268 -17.643 0.966 583 1HG2 VAL 71 3HG2 VAL 71 -5.181 -14.323 0.060 584 2HG2 VAL 71 2HG2 VAL 71 -6.707 -13.957 -0.744 585 3HG2 VAL 71 1HG2 VAL 71 -6.674 -14.243 0.996 586 H LYS 72 H LYS 72 -3.708 -18.648 -1.033 587 HA LYS 72 HA LYS 72 -5.662 -20.741 -1.276 588 1HB LYS 72 2HB LYS 72 -4.744 -19.404 -3.750 589 2HB LYS 72 1HB LYS 72 -4.588 -21.159 -3.770 590 1HG LYS 72 2HG LYS 72 -7.106 -20.760 -2.652 591 2HG LYS 72 1HG LYS 72 -7.005 -19.504 -3.885 592 1HD LYS 72 2HD LYS 72 -5.995 -22.120 -4.787 593 2HD LYS 72 1HD LYS 72 -7.703 -22.134 -4.358 594 1HE LYS 72 2HE LYS 72 -7.736 -21.506 -6.622 595 2HE LYS 72 1HE LYS 72 -7.844 -19.958 -5.782 596 1HZ LYS 72 1HZ LYS 72 -5.293 -21.163 -6.700 597 2HZ LYS 72 3HZ LYS 72 -6.174 -20.030 -7.602 598 3HZ LYS 72 2HZ LYS 72 -5.530 -19.595 -6.091 599 H SER 73 H SER 73 -2.501 -20.079 -2.812 600 HA SER 73 HA SER 73 -1.422 -22.559 -1.616 601 1HB SER 73 2HB SER 73 -0.990 -21.887 -4.030 602 2HB SER 73 1HB SER 73 -0.002 -20.568 -3.408 603 HG SER 73 HG SER 73 1.280 -22.382 -3.823 604 H GLY 74 H GLY 74 -1.793 -21.331 0.545 605 1HA GLY 74 2HA GLY 74 0.247 -19.305 1.177 606 2HA GLY 74 1HA GLY 74 -1.000 -19.902 2.275 607 H SER 75 H SER 75 1.947 -21.010 0.605 608 HA SER 75 HA SER 75 2.645 -22.522 3.085 609 1HB SER 75 2HB SER 75 3.669 -24.260 1.555 610 2HB SER 75 1HB SER 75 1.910 -24.186 1.513 611 HG SER 75 HG SER 75 1.979 -23.350 -0.452 612 H MET 76 H MET 76 3.845 -21.006 0.089 613 HA MET 76 HA MET 76 6.391 -20.426 1.544 614 1HB MET 76 2HB MET 76 6.682 -22.270 -0.131 615 2HB MET 76 1HB MET 76 6.167 -21.150 -1.393 616 1HG MET 76 2HG MET 76 8.055 -19.721 -1.019 617 2HG MET 76 1HG MET 76 8.481 -20.567 0.468 618 1HE MET 76 2HE MET 76 9.612 -19.889 -2.784 619 2HE MET 76 1HE MET 76 9.810 -21.371 -3.717 620 3HE MET 76 3HE MET 76 8.193 -20.730 -3.399 621 H LEU 77 H LEU 77 4.820 -19.600 -1.572 622 HA LEU 77 HA LEU 77 5.866 -16.958 -1.712 623 1HB LEU 77 2HB LEU 77 3.955 -16.557 -3.317 624 2HB LEU 77 1HB LEU 77 4.935 -17.971 -3.692 625 HG LEU 77 HG LEU 77 2.743 -18.601 -1.854 626 1HD1 LEU 77 2HD1 LEU 77 1.964 -16.681 -3.581 627 2HD1 LEU 77 1HD1 LEU 77 1.738 -18.098 -4.607 628 3HD1 LEU 77 3HD1 LEU 77 0.896 -17.986 -3.063 629 1HD2 LEU 77 1HD2 LEU 77 4.203 -19.760 -4.097 630 2HD2 LEU 77 3HD2 LEU 77 3.307 -20.568 -2.813 631 3HD2 LEU 77 2HD2 LEU 77 2.470 -20.025 -4.265 632 H SER 78 H SER 78 3.914 -15.123 -1.953 633 HA SER 78 HA SER 78 2.497 -13.691 -0.758 634 1HB SER 78 2HB SER 78 1.692 -15.982 1.018 635 2HB SER 78 1HB SER 78 0.718 -14.630 0.445 636 HG SER 78 HG SER 78 1.077 -17.054 -0.648 637 H ASN 79 H ASN 79 3.785 -12.336 0.375 638 HA ASN 79 HA ASN 79 4.626 -11.333 2.329 639 1HB ASN 79 2HB ASN 79 3.112 -13.166 3.528 640 2HB ASN 79 1HB ASN 79 4.684 -13.879 3.892 641 1HD2 ASN 79 2HD2 ASN 79 5.688 -11.199 6.051 642 2HD2 ASN 79 1HD2 ASN 79 6.275 -12.442 5.055 643 H ASN 80 H ASN 80 5.864 -14.688 1.912 644 HA ASN 80 HA ASN 80 8.511 -14.124 2.789 645 1HB ASN 80 2HB ASN 80 7.494 -16.416 2.370 646 2HB ASN 80 1HB ASN 80 7.767 -16.135 0.651 647 1HD2 ASN 80 2HD2 ASN 80 10.770 -17.909 1.996 648 2HD2 ASN 80 1HD2 ASN 80 9.119 -18.276 1.853 649 H ASP 81 H ASP 81 6.925 -13.643 -0.311 650 HA ASP 81 HA ASP 81 9.497 -12.632 -1.445 651 1HB ASP 81 2HB ASP 81 8.288 -12.813 -3.652 652 2HB ASP 81 1HB ASP 81 8.509 -14.356 -2.827 653 H SER 82 H SER 82 8.794 -10.845 -3.266 654 HA SER 82 HA SER 82 7.172 -8.823 -1.772 655 1HB SER 82 2HB SER 82 9.454 -8.391 -3.723 656 2HB SER 82 1HB SER 82 8.537 -7.112 -2.930 657 HG SER 82 HG SER 82 9.226 -8.063 -0.920 658 H ARG 83 H ARG 83 5.278 -9.800 -2.906 659 HA ARG 83 HA ARG 83 5.003 -8.632 -5.637 660 1HB ARG 83 2HB ARG 83 4.452 -11.452 -4.749 661 2HB ARG 83 1HB ARG 83 3.498 -10.742 -6.052 662 1HG ARG 83 2HG ARG 83 5.939 -10.018 -6.903 663 2HG ARG 83 1HG ARG 83 6.389 -11.463 -5.997 664 1HD ARG 83 2HD ARG 83 4.225 -11.373 -8.118 665 2HD ARG 83 1HD ARG 83 5.867 -11.956 -8.387 666 HE ARG 83 HE ARG 83 3.807 -13.308 -6.728 667 1HH1 ARG 83 1HH2 ARG 83 6.344 -13.784 -5.389 668 2HH1 ARG 83 2HH2 ARG 83 7.009 -15.141 -6.233 669 1HH2 ARG 83 2HH1 ARG 83 4.931 -14.782 -8.988 670 2HH2 ARG 83 1HH1 ARG 83 6.209 -15.706 -8.273 671 H TRP 84 H TRP 84 4.024 -7.014 -3.977 672 HA TRP 84 HA TRP 84 1.384 -7.734 -2.916 673 1HB TRP 84 2HB TRP 84 2.906 -5.117 -3.060 674 2HB TRP 84 1HB TRP 84 1.315 -5.280 -2.318 675 HD1 TRP 84 HD1 TRP 84 4.704 -7.152 -2.059 676 HE1 TRP 84 HE1 TRP 84 5.137 -7.664 0.431 677 HE3 TRP 84 HE3 TRP 84 0.471 -5.174 -0.003 678 HZ2 TRP 84 HZ2 TRP 84 3.854 -7.285 2.962 679 HZ3 TRP 84 HZ3 TRP 84 0.101 -5.261 2.446 680 HH2 TRP 84 HH2 TRP 84 1.786 -6.312 3.930 681 H GLU 85 H GLU 85 -0.445 -7.651 -4.135 682 HA GLU 85 HA GLU 85 -0.430 -5.882 -6.550 683 1HB GLU 85 2HB GLU 85 -2.094 -7.501 -7.504 684 2HB GLU 85 1HB GLU 85 -0.505 -8.213 -7.226 685 1HG GLU 85 2HG GLU 85 -2.145 -8.454 -4.840 686 2HG GLU 85 1HG GLU 85 -2.984 -9.138 -6.231 687 H PHE 86 H PHE 86 -2.165 -4.492 -6.799 688 HA PHE 86 HA PHE 86 -4.301 -4.617 -4.708 689 1HB PHE 86 2HB PHE 86 -3.222 -2.081 -5.974 690 2HB PHE 86 1HB PHE 86 -4.323 -2.206 -4.605 691 HD1 PHE 86 HD1 PHE 86 -2.973 -4.441 -3.090 692 HD2 PHE 86 HD2 PHE 86 -1.362 -0.962 -5.012 693 HE1 PHE 86 HE1 PHE 86 -1.042 -4.484 -1.537 694 HE2 PHE 86 HE2 PHE 86 0.573 -1.004 -3.465 695 HZ PHE 86 HZ PHE 86 0.734 -2.765 -1.726 696 H GLU 87 H GLU 87 -6.081 -5.329 -5.794 697 HA GLU 87 HA GLU 87 -6.652 -4.135 -8.477 698 1HB GLU 87 2HB GLU 87 -7.744 -6.711 -7.309 699 2HB GLU 87 1HB GLU 87 -7.974 -6.120 -8.954 700 1HG GLU 87 2HG GLU 87 -5.533 -6.254 -9.337 701 2HG GLU 87 1HG GLU 87 -5.319 -6.879 -7.702 702 H ASN 88 H ASN 88 -9.136 -4.068 -8.887 703 HA ASN 88 HA ASN 88 -10.664 -3.466 -6.413 704 1HB ASN 88 2HB ASN 88 -11.465 -1.320 -7.416 705 2HB ASN 88 1HB ASN 88 -9.740 -1.305 -7.054 706 1HD2 ASN 88 2HD2 ASN 88 -10.754 -0.370 -10.730 707 2HD2 ASN 88 1HD2 ASN 88 -11.696 -0.143 -9.336 708 H GLU 89 H GLU 89 -13.043 -3.005 -7.057 709 HA GLU 89 HA GLU 89 -15.005 -3.745 -8.091 710 1HB GLU 89 2HB GLU 89 -13.745 -2.735 -10.123 711 2HB GLU 89 1HB GLU 89 -13.391 -4.411 -10.550 712 1HG GLU 89 2HG GLU 89 -15.994 -4.714 -10.122 713 2HG GLU 89 1HG GLU 89 -16.024 -2.987 -10.481 714 H ARG 90 H ARG 90 -15.739 -5.609 -7.277 715 HA ARG 90 HA ARG 90 -14.323 -8.008 -6.896 716 1HB ARG 90 2HB ARG 90 -16.535 -7.423 -5.866 717 2HB ARG 90 1HB ARG 90 -17.302 -7.773 -7.416 718 1HG ARG 90 2HG ARG 90 -16.077 -10.067 -7.237 719 2HG ARG 90 1HG ARG 90 -15.925 -9.668 -5.525 720 1HD ARG 90 2HD ARG 90 -17.961 -10.845 -5.615 721 2HD ARG 90 1HD ARG 90 -18.471 -9.157 -5.646 722 HE ARG 90 HE ARG 90 -18.340 -9.645 -8.289 723 1HH1 ARG 90 1HH2 ARG 90 -18.348 -12.613 -7.530 724 2HH1 ARG 90 2HH2 ARG 90 -20.033 -12.983 -7.677 725 1HH2 ARG 90 2HH1 ARG 90 -21.033 -9.663 -7.681 726 2HH2 ARG 90 1HH1 ARG 90 -21.554 -11.314 -7.763 727 H HIS 91 H HIS 91 -13.567 -9.494 -8.310 728 HA HIS 91 HA HIS 91 -14.777 -9.592 -11.043 729 1HB HIS 91 2HB HIS 91 -12.091 -9.294 -10.217 730 2HB HIS 91 1HB HIS 91 -12.211 -10.944 -10.821 731 HD1 HIS 91 HD1 HIS 91 -12.962 -7.379 -11.909 732 HD2 HIS 91 HD2 HIS 91 -12.337 -11.139 -13.597 733 HE1 HIS 91 HE1 HIS 91 -12.864 -7.031 -14.416 734 H ALA 92 HN ALA 92 -13.837 -12.023 -11.907 735 HA ALA 92 HA ALA 92 -14.129 -14.191 -10.065 736 1HB ALA 92 1HB ALA 92 -16.524 -13.071 -10.284 737 2HB ALA 92 3HB ALA 92 -16.574 -13.995 -11.786 738 3HB ALA 92 2HB ALA 92 -16.354 -14.825 -10.246 No H/Q in entry = 738 Start of MODEL 3 Raw file had 756 H/Q atoms Start of MODEL 3 1 1H ALA 1 2H ALA 1 -13.973 11.543 -9.893 2 2H ALA 1 1H ALA 1 -12.659 11.466 -10.966 3 3H ALA 1 3H ALA 1 -12.417 11.191 -9.310 4 HA ALA 1 HA ALA 1 -11.650 13.359 -9.660 5 1HB ALA 1 2HB ALA 1 -14.075 13.504 -11.428 6 2HB ALA 1 1HB ALA 1 -13.408 14.989 -10.746 7 3HB ALA 1 3HB ALA 1 -12.410 13.967 -11.782 8 H ARG 2 H ARG 2 -11.942 13.249 -7.374 9 HA ARG 2 HA ARG 2 -13.730 15.105 -6.227 10 1HB ARG 2 2HB ARG 2 -15.115 12.778 -6.891 11 2HB ARG 2 1HB ARG 2 -14.763 12.570 -5.174 12 1HG ARG 2 2HG ARG 2 -15.533 15.165 -5.169 13 2HG ARG 2 1HG ARG 2 -16.498 14.571 -6.520 14 1HD ARG 2 2HD ARG 2 -17.611 12.976 -5.173 15 2HD ARG 2 1HD ARG 2 -16.405 13.096 -3.890 16 HE ARG 2 HE ARG 2 -17.397 15.628 -3.925 17 1HH1 ARG 2 1HH1 ARG 2 -20.908 14.511 -3.812 18 2HH1 ARG 2 2HH1 ARG 2 -19.923 15.129 -5.095 19 1HH2 ARG 2 1HH2 ARG 2 -18.217 13.707 -1.779 20 2HH2 ARG 2 2HH2 ARG 2 -19.942 13.704 -1.934 21 HA PRO 3 HA PRO 3 -11.793 12.631 -2.690 22 1HB PRO 3 2HB PRO 3 -10.357 10.359 -3.254 23 2HB PRO 3 1HB PRO 3 -12.067 10.350 -2.791 24 1HG PRO 3 2HG PRO 3 -10.847 9.932 -5.472 25 2HG PRO 3 1HG PRO 3 -12.381 9.324 -4.829 26 1HD PRO 3 2HD PRO 3 -12.081 11.487 -6.596 27 2HD PRO 3 1HD PRO 3 -13.539 11.103 -5.666 28 H ALA 4 H ALA 4 -10.065 13.882 -2.184 29 HA ALA 4 HA ALA 4 -8.095 14.736 -4.076 30 1HB ALA 4 2HB ALA 4 -8.296 14.881 -1.070 31 2HB ALA 4 1HB ALA 4 -6.872 15.480 -1.919 32 3HB ALA 4 3HB ALA 4 -8.456 16.186 -2.247 33 H PHE 5 H PHE 5 -8.217 12.029 -1.848 34 HA PHE 5 HA PHE 5 -5.416 11.410 -1.823 35 1HB PHE 5 2HB PHE 5 -7.246 10.456 -0.303 36 2HB PHE 5 1HB PHE 5 -7.640 9.374 -1.641 37 HD1 PHE 5 HD2 PHE 5 -4.604 10.619 0.186 38 HD2 PHE 5 HD1 PHE 5 -6.589 7.301 -1.684 39 HE1 PHE 5 HE2 PHE 5 -2.721 9.134 0.822 40 HE2 PHE 5 HE1 PHE 5 -4.707 5.817 -1.049 41 HZ PHE 5 HZ PHE 5 -2.774 6.732 0.205 42 H VAL 6 H VAL 6 -8.088 10.297 -3.907 43 HA VAL 6 HA VAL 6 -6.459 8.527 -5.490 44 HB VAL 6 HB VAL 6 -9.031 9.921 -6.291 45 1HG1 VAL 6 2HG1 VAL 6 -7.352 7.737 -7.423 46 2HG1 VAL 6 1HG1 VAL 6 -9.101 7.505 -7.474 47 3HG1 VAL 6 3HG1 VAL 6 -8.376 8.914 -8.248 48 1HG2 VAL 6 3HG2 VAL 6 -8.570 7.286 -4.855 49 2HG2 VAL 6 2HG2 VAL 6 -9.301 8.731 -4.156 50 3HG2 VAL 6 1HG2 VAL 6 -10.130 7.860 -5.446 51 H ASN 7 H ASN 7 -7.200 11.966 -5.669 52 HA ASN 7 HA ASN 7 -6.230 12.407 -8.343 53 1HB ASN 7 2HB ASN 7 -6.303 14.319 -5.986 54 2HB ASN 7 1HB ASN 7 -6.106 14.775 -7.677 55 1HD2 ASN 7 2HD2 ASN 7 -9.551 13.617 -8.427 56 2HD2 ASN 7 1HD2 ASN 7 -7.991 13.291 -9.013 57 H LYS 8 H LYS 8 -4.670 12.417 -5.165 58 HA LYS 8 HA LYS 8 -2.083 13.247 -6.250 59 1HB LYS 8 2HB LYS 8 -1.263 12.793 -3.939 60 2HB LYS 8 1HB LYS 8 -2.666 13.863 -3.957 61 1HG LYS 8 2HG LYS 8 -4.135 12.120 -3.271 62 2HG LYS 8 1HG LYS 8 -2.941 10.871 -3.618 63 1HD LYS 8 2HD LYS 8 -3.035 11.215 -1.210 64 2HD LYS 8 1HD LYS 8 -1.493 11.823 -1.810 65 1HE LYS 8 2HE LYS 8 -3.571 13.876 -1.889 66 2HE LYS 8 1HE LYS 8 -3.322 13.247 -0.260 67 1HZ LYS 8 3HZ LYS 8 -1.025 13.972 -1.959 68 2HZ LYS 8 2HZ LYS 8 -1.851 15.159 -1.068 69 3HZ LYS 8 1HZ LYS 8 -1.107 13.858 -0.270 70 H LEU 9 H LEU 9 -3.755 10.237 -5.780 71 HA LEU 9 HA LEU 9 -1.378 8.562 -5.688 72 1HB LEU 9 2HB LEU 9 -3.582 7.849 -4.766 73 2HB LEU 9 1HB LEU 9 -4.235 7.835 -6.403 74 HG LEU 9 HG LEU 9 -2.521 6.156 -7.051 75 1HD1 LEU 9 3HD1 LEU 9 -1.687 6.634 -4.217 76 2HD1 LEU 9 2HD1 LEU 9 -1.526 5.002 -4.866 77 3HD1 LEU 9 1HD1 LEU 9 -0.693 6.347 -5.645 78 1HD2 LEU 9 2HD2 LEU 9 -4.460 5.632 -4.810 79 2HD2 LEU 9 1HD2 LEU 9 -4.564 5.149 -6.502 80 3HD2 LEU 9 3HD2 LEU 9 -3.445 4.323 -5.418 81 H TRP 10 H TRP 10 -3.450 9.877 -8.200 82 HA TRP 10 HA TRP 10 -2.561 8.164 -10.340 83 1HB TRP 10 2HB TRP 10 -4.091 10.692 -10.069 84 2HB TRP 10 1HB TRP 10 -3.333 10.402 -11.631 85 HD1 TRP 10 HD1 TRP 10 -5.816 10.121 -12.617 86 HE1 TRP 10 HE1 TRP 10 -7.376 8.072 -12.694 87 HE3 TRP 10 HE3 TRP 10 -3.638 7.189 -9.025 88 HZ2 TRP 10 HZ2 TRP 10 -7.670 5.543 -11.415 89 HZ3 TRP 10 HZ3 TRP 10 -4.586 4.970 -8.485 90 HH2 TRP 10 HH2 TRP 10 -6.598 4.142 -9.671 91 H SER 11 H SER 11 -0.867 10.584 -8.633 92 HA SER 11 HA SER 11 0.789 11.330 -10.976 93 1HB SER 11 2HB SER 11 1.938 12.786 -9.182 94 2HB SER 11 1HB SER 11 0.291 13.215 -9.638 95 HG SER 11 HG SER 11 0.358 13.151 -7.427 96 H MET 12 H MET 12 1.128 9.770 -7.783 97 HA MET 12 HA MET 12 3.952 9.223 -8.141 98 1HB MET 12 2HB MET 12 3.726 7.836 -6.119 99 2HB MET 12 1HB MET 12 2.941 9.398 -5.896 100 1HG MET 12 2HG MET 12 0.753 8.359 -6.449 101 2HG MET 12 1HG MET 12 1.554 6.797 -6.621 102 1HE MET 12 3HE MET 12 3.062 5.939 -5.187 103 2HE MET 12 2HE MET 12 3.508 6.514 -3.582 104 3HE MET 12 1HE MET 12 2.242 5.301 -3.755 105 H VAL 13 H VAL 13 0.993 7.476 -8.898 106 HA VAL 13 HA VAL 13 2.391 4.961 -9.423 107 HB VAL 13 HB VAL 13 -0.401 5.755 -10.285 108 1HG1 VAL 13 2HG1 VAL 13 1.181 3.432 -10.742 109 2HG1 VAL 13 1HG1 VAL 13 -0.037 2.988 -9.550 110 3HG1 VAL 13 3HG1 VAL 13 -0.529 3.661 -11.101 111 1HG2 VAL 13 1HG2 VAL 13 0.135 6.000 -7.780 112 2HG2 VAL 13 3HG2 VAL 13 -1.213 4.942 -8.195 113 3HG2 VAL 13 2HG2 VAL 13 0.354 4.250 -7.770 114 H ASN 14 H ASN 14 2.268 7.854 -11.137 115 HA ASN 14 HA ASN 14 1.828 7.038 -13.820 116 1HB ASN 14 2HB ASN 14 3.237 9.275 -12.469 117 2HB ASN 14 1HB ASN 14 3.741 8.942 -14.127 118 1HD2 ASN 14 2HD2 ASN 14 0.987 10.922 -15.147 119 2HD2 ASN 14 1HD2 ASN 14 2.676 10.758 -15.120 120 H ASP 15 H ASP 15 4.532 6.491 -11.682 121 HA ASP 15 HA ASP 15 6.456 5.197 -11.929 122 1HB ASP 15 2HB ASP 15 5.142 4.193 -14.467 123 2HB ASP 15 1HB ASP 15 6.415 3.394 -13.541 124 H LYS 16 H LYS 16 6.312 7.898 -13.166 125 HA LYS 16 HA LYS 16 7.901 7.658 -15.633 126 1HB LYS 16 2HB LYS 16 6.440 9.763 -14.260 127 2HB LYS 16 1HB LYS 16 8.073 10.311 -14.641 128 1HG LYS 16 2HG LYS 16 6.183 9.032 -16.640 129 2HG LYS 16 1HG LYS 16 6.447 10.769 -16.482 130 1HD LYS 16 2HD LYS 16 8.848 9.017 -16.800 131 2HD LYS 16 1HD LYS 16 7.847 9.309 -18.222 132 1HE LYS 16 2HE LYS 16 8.069 11.729 -17.919 133 2HE LYS 16 1HE LYS 16 9.009 11.477 -16.448 134 1HZ LYS 16 1HZ LYS 16 10.656 10.277 -17.780 135 2HZ LYS 16 3HZ LYS 16 9.768 10.613 -19.185 136 3HZ LYS 16 2HZ LYS 16 10.468 11.883 -18.301 137 H SER 17 H SER 17 8.403 8.786 -12.292 138 HA SER 17 HA SER 17 11.343 8.679 -12.725 139 1HB SER 17 2HB SER 17 9.853 10.538 -11.417 140 2HB SER 17 1HB SER 17 10.254 9.466 -10.078 141 HG SER 17 HG SER 17 11.774 11.298 -11.119 142 H ASN 18 H ASN 18 8.703 7.071 -11.072 143 HA ASN 18 HA ASN 18 10.592 5.334 -9.570 144 1HB ASN 18 2HB ASN 18 7.581 5.095 -9.521 145 2HB ASN 18 1HB ASN 18 8.739 4.615 -8.284 146 1HD2 ASN 18 2HD2 ASN 18 7.024 8.094 -7.769 147 2HD2 ASN 18 1HD2 ASN 18 6.363 6.725 -8.527 148 H GLU 19 H GLU 19 10.203 5.262 -12.564 149 HA GLU 19 HA GLU 19 8.646 3.034 -13.359 150 1HB GLU 19 2HB GLU 19 9.662 4.697 -14.910 151 2HB GLU 19 1HB GLU 19 11.244 4.003 -14.584 152 1HG GLU 19 2HG GLU 19 10.704 1.964 -15.637 153 2HG GLU 19 1HG GLU 19 8.970 2.273 -15.543 154 H LYS 20 H LYS 20 11.611 3.100 -11.556 155 HA LYS 20 HA LYS 20 12.176 0.262 -12.244 156 1HB LYS 20 2HB LYS 20 13.909 2.310 -11.982 157 2HB LYS 20 1HB LYS 20 13.902 1.727 -10.316 158 1HG LYS 20 2HG LYS 20 15.531 0.335 -11.167 159 2HG LYS 20 1HG LYS 20 14.113 -0.639 -11.555 160 1HD LYS 20 2HD LYS 20 14.105 0.808 -13.766 161 2HD LYS 20 1HD LYS 20 15.810 1.038 -13.370 162 1HE LYS 20 2HE LYS 20 15.884 -0.906 -14.664 163 2HE LYS 20 1HE LYS 20 15.802 -1.564 -13.030 164 1HZ LYS 20 1HZ LYS 20 13.349 -1.650 -13.317 165 2HZ LYS 20 3HZ LYS 20 13.563 -1.234 -14.947 166 3HZ LYS 20 2HZ LYS 20 14.204 -2.690 -14.352 167 H PHE 21 H PHE 21 9.844 1.007 -10.554 168 HA PHE 21 HA PHE 21 10.492 -0.788 -8.309 169 1HB PHE 21 2HB PHE 21 9.719 2.103 -7.931 170 2HB PHE 21 1HB PHE 21 9.389 0.892 -6.690 171 HD1 PHE 21 HD1 PHE 21 11.488 -0.766 -6.259 172 HD2 PHE 21 HD2 PHE 21 11.732 3.253 -7.755 173 HE1 PHE 21 HE1 PHE 21 13.844 -0.625 -5.498 174 HE2 PHE 21 HE2 PHE 21 14.087 3.394 -6.994 175 HZ PHE 21 HZ PHE 21 15.143 1.455 -5.865 176 H ILE 22 H ILE 22 7.740 1.471 -8.420 177 HA ILE 22 HA ILE 22 5.949 -0.888 -8.566 178 HB ILE 22 HB ILE 22 5.554 0.785 -6.786 179 1HG1 ILE 22 2HG1 ILE 22 3.292 1.038 -8.762 180 2HG1 ILE 22 1HG1 ILE 22 3.687 -0.522 -8.039 181 1HG2 ILE 22 3HG2 ILE 22 5.223 2.643 -9.148 182 2HG2 ILE 22 2HG2 ILE 22 4.542 3.005 -7.564 183 3HG2 ILE 22 1HG2 ILE 22 6.287 2.833 -7.754 184 1HD1 ILE 22 2HD1 ILE 22 3.208 1.975 -6.399 185 2HD1 ILE 22 1HD1 ILE 22 1.927 0.832 -6.800 186 3HD1 ILE 22 3HD1 ILE 22 3.301 0.311 -5.824 187 H HIS 23 H HIS 23 4.294 -1.059 -10.141 188 HA HIS 23 HA HIS 23 4.170 0.899 -12.321 189 1HB HIS 23 2HB HIS 23 4.742 -0.725 -14.083 190 2HB HIS 23 1HB HIS 23 6.096 -0.509 -12.980 191 HD1 HIS 23 HD1 HIS 23 5.768 -2.391 -10.784 192 HD2 HIS 23 HD2 HIS 23 4.435 -3.400 -14.602 193 HE1 HIS 23 HE1 HIS 23 5.590 -4.914 -10.837 194 H TRP 24 H TRP 24 2.458 0.191 -13.949 195 HA TRP 24 HA TRP 24 0.087 -0.660 -12.527 196 1HB TRP 24 2HB TRP 24 0.682 -0.102 -15.436 197 2HB TRP 24 1HB TRP 24 -0.903 -0.655 -14.897 198 HD1 TRP 24 HD1 TRP 24 1.507 1.930 -13.319 199 HE1 TRP 24 HE1 TRP 24 0.194 4.121 -12.955 200 HE3 TRP 24 HE3 TRP 24 -2.985 0.606 -15.326 201 HZ2 TRP 24 HZ2 TRP 24 -2.424 5.171 -13.455 202 HZ3 TRP 24 HZ3 TRP 24 -4.872 2.209 -15.375 203 HH2 TRP 24 HH2 TRP 24 -4.597 4.490 -14.440 204 H SER 25 H SER 25 -1.077 -2.610 -12.766 205 HA SER 25 HA SER 25 0.519 -4.981 -13.298 206 1HB SER 25 2HB SER 25 -2.444 -5.204 -13.130 207 2HB SER 25 1HB SER 25 -1.200 -6.141 -12.309 208 HG SER 25 HG SER 25 -2.049 -4.881 -10.748 209 H THR 26 H THR 26 0.824 -5.841 -15.296 210 HA THR 26 HA THR 26 0.509 -6.336 -17.564 211 HB THR 26 HB THR 26 -2.437 -5.883 -17.105 212 HG1 THR 26 HG1 THR 26 -2.066 -7.171 -15.453 213 1HG2 THR 26 1HG2 THR 26 -0.777 -7.755 -18.808 214 2HG2 THR 26 3HG2 THR 26 -2.524 -7.905 -18.618 215 3HG2 THR 26 2HG2 THR 26 -1.839 -6.461 -19.367 216 H SER 27 H SER 27 0.652 -3.447 -16.560 217 HA SER 27 HA SER 27 0.626 -1.323 -17.531 218 1HB SER 27 2HB SER 27 1.133 -3.139 -19.608 219 2HB SER 27 1HB SER 27 -0.127 -2.085 -20.240 220 HG SER 27 HG SER 27 2.481 -1.506 -19.418 221 H GLY 28 H GLY 28 -1.760 -2.104 -16.281 222 1HA GLY 28 2HA GLY 28 -3.623 -0.229 -16.968 223 2HA GLY 28 1HA GLY 28 -3.996 -1.525 -18.094 224 H GLU 29 H GLU 29 -5.087 -0.285 -15.346 225 HA GLU 29 HA GLU 29 -6.567 -1.061 -13.740 226 1HB GLU 29 2HB GLU 29 -6.310 -3.796 -15.008 227 2HB GLU 29 1HB GLU 29 -7.628 -3.192 -14.010 228 1HG GLU 29 2HG GLU 29 -7.398 -1.323 -16.101 229 2HG GLU 29 1HG GLU 29 -7.210 -2.895 -16.876 230 H SER 30 H SER 30 -5.973 -1.261 -11.730 231 HA SER 30 HA SER 30 -5.049 -2.118 -9.754 232 1HB SER 30 2HB SER 30 -3.936 -4.446 -11.311 233 2HB SER 30 1HB SER 30 -4.424 -4.388 -9.620 234 HG SER 30 HG SER 30 -5.929 -5.393 -11.175 235 H ILE 31 H ILE 31 -2.860 -2.785 -8.823 236 HA ILE 31 HA ILE 31 -0.578 -1.785 -10.462 237 HB ILE 31 HB ILE 31 -1.050 -0.947 -7.584 238 1HG1 ILE 31 2HG1 ILE 31 -1.372 0.818 -10.021 239 2HG1 ILE 31 1HG1 ILE 31 -2.738 -0.030 -9.300 240 1HG2 ILE 31 1HG2 ILE 31 1.015 -0.405 -9.691 241 2HG2 ILE 31 3HG2 ILE 31 0.661 0.849 -8.502 242 3HG2 ILE 31 2HG2 ILE 31 1.232 -0.734 -7.972 243 1HD1 ILE 31 2HD1 ILE 31 -1.230 1.282 -7.219 244 2HD1 ILE 31 1HD1 ILE 31 -1.632 2.444 -8.483 245 3HD1 ILE 31 3HD1 ILE 31 -2.912 1.528 -7.690 246 H VAL 32 H VAL 32 1.286 -2.999 -10.097 247 HA VAL 32 HA VAL 32 1.066 -5.124 -8.006 248 HB VAL 32 HB VAL 32 2.864 -5.094 -10.444 249 1HG1 VAL 32 1HG1 VAL 32 2.270 -7.012 -8.221 250 2HG1 VAL 32 3HG1 VAL 32 2.637 -7.661 -9.820 251 3HG1 VAL 32 2HG1 VAL 32 3.812 -6.638 -8.991 252 1HG2 VAL 32 3HG2 VAL 32 0.469 -5.120 -11.078 253 2HG2 VAL 32 2HG2 VAL 32 1.237 -6.670 -11.419 254 3HG2 VAL 32 1HG2 VAL 32 0.205 -6.490 -10.000 255 H VAL 33 H VAL 33 2.582 -5.224 -6.408 256 HA VAL 33 HA VAL 33 4.780 -3.199 -6.489 257 HB VAL 33 HB VAL 33 3.594 -4.631 -4.092 258 1HG1 VAL 33 1HG1 VAL 33 6.026 -3.713 -4.064 259 2HG1 VAL 33 3HG1 VAL 33 5.266 -2.121 -4.072 260 3HG1 VAL 33 2HG1 VAL 33 4.949 -3.244 -2.749 261 1HG2 VAL 33 3HG2 VAL 33 1.981 -3.091 -5.189 262 2HG2 VAL 33 2HG2 VAL 33 2.485 -2.491 -3.609 263 3HG2 VAL 33 1HG2 VAL 33 3.167 -1.791 -5.076 264 HA PRO 34 HA PRO 34 6.998 -7.125 -6.757 265 1HB PRO 34 2HB PRO 34 9.142 -6.196 -8.198 266 2HB PRO 34 1HB PRO 34 7.637 -6.765 -8.943 267 1HG PRO 34 2HG PRO 34 8.631 -3.979 -8.611 268 2HG PRO 34 1HG PRO 34 7.525 -4.642 -9.828 269 1HD PRO 34 2HD PRO 34 6.780 -3.135 -7.559 270 2HD PRO 34 1HD PRO 34 5.694 -4.077 -8.595 271 H ASN 35 H ASN 35 8.548 -3.934 -6.261 272 HA ASN 35 HA ASN 35 10.355 -5.198 -4.258 273 1HB ASN 35 2HB ASN 35 10.755 -3.210 -6.262 274 2HB ASN 35 1HB ASN 35 10.950 -2.409 -4.706 275 1HD2 ASN 35 2HD2 ASN 35 14.044 -4.436 -5.987 276 2HD2 ASN 35 1HD2 ASN 35 12.878 -3.648 -6.936 277 H ARG 36 H ARG 36 8.015 -5.176 -3.160 278 HA ARG 36 HA ARG 36 6.853 -2.885 -2.046 279 1HB ARG 36 2HB ARG 36 6.210 -4.413 -0.102 280 2HB ARG 36 1HB ARG 36 5.725 -4.944 -1.708 281 1HG ARG 36 2HG ARG 36 6.650 -6.918 -0.991 282 2HG ARG 36 1HG ARG 36 8.134 -6.171 -1.557 283 1HD ARG 36 2HD ARG 36 8.323 -5.192 0.830 284 2HD ARG 36 1HD ARG 36 7.126 -6.413 1.265 285 HE ARG 36 HE ARG 36 9.273 -7.618 -0.225 286 1HH1 ARG 36 2HH1 ARG 36 7.786 -8.006 2.613 287 2HH1 ARG 36 1HH1 ARG 36 9.198 -8.210 3.595 288 1HH2 ARG 36 1HH2 ARG 36 11.393 -7.147 1.131 289 2HH2 ARG 36 2HH2 ARG 36 11.239 -7.723 2.757 290 H GLU 37 H GLU 37 9.916 -4.284 -1.198 291 HA GLU 37 HA GLU 37 10.014 -2.924 1.408 292 1HB GLU 37 2HB GLU 37 11.016 -5.191 0.988 293 2HB GLU 37 1HB GLU 37 12.241 -4.403 -0.004 294 1HG GLU 37 2HG GLU 37 13.403 -3.752 1.817 295 2HG GLU 37 1HG GLU 37 11.967 -3.040 2.550 296 H ARG 38 H ARG 38 11.328 -2.338 -1.836 297 HA ARG 38 HA ARG 38 13.061 -0.177 -0.774 298 1HB ARG 38 2HB ARG 38 12.717 -1.438 -3.491 299 2HB ARG 38 1HB ARG 38 13.645 0.046 -3.275 300 1HG ARG 38 2HG ARG 38 14.297 -2.102 -1.350 301 2HG ARG 38 1HG ARG 38 14.693 -2.474 -3.027 302 1HD ARG 38 2HD ARG 38 16.063 -0.509 -3.226 303 2HD ARG 38 1HD ARG 38 15.496 0.115 -1.678 304 HE ARG 38 HE ARG 38 16.783 -2.479 -1.411 305 1HH1 ARG 38 1HH2 ARG 38 16.840 0.172 0.278 306 2HH1 ARG 38 2HH2 ARG 38 18.537 0.512 0.215 307 1HH2 ARG 38 2HH1 ARG 38 19.163 -1.723 -2.361 308 2HH2 ARG 38 1HH1 ARG 38 19.851 -0.562 -1.276 309 H PHE 39 H PHE 39 10.329 -0.506 -3.027 310 HA PHE 39 HA PHE 39 10.004 2.076 -3.954 311 1HB PHE 39 2HB PHE 39 8.519 0.472 -4.811 312 2HB PHE 39 1HB PHE 39 8.038 -0.084 -3.215 313 HD1 PHE 39 HD2 PHE 39 6.534 1.338 -1.801 314 HD2 PHE 39 HD1 PHE 39 7.370 2.280 -5.909 315 HE1 PHE 39 HE2 PHE 39 4.559 2.839 -1.858 316 HE2 PHE 39 HE1 PHE 39 5.400 3.786 -5.961 317 HZ PHE 39 HZ PHE 39 3.993 4.063 -3.940 318 H VAL 40 H VAL 40 8.747 0.877 -0.813 319 HA VAL 40 HA VAL 40 7.443 3.260 -0.010 320 HB VAL 40 HB VAL 40 8.889 1.256 1.755 321 1HG1 VAL 40 1HG1 VAL 40 7.893 3.670 2.550 322 2HG1 VAL 40 3HG1 VAL 40 6.453 2.664 2.699 323 3HG1 VAL 40 2HG1 VAL 40 7.921 2.241 3.579 324 1HG2 VAL 40 1HG2 VAL 40 7.150 0.321 0.173 325 2HG2 VAL 40 3HG2 VAL 40 6.775 0.092 1.880 326 3HG2 VAL 40 2HG2 VAL 40 5.965 1.360 0.961 327 H GLN 41 H GLN 41 10.725 2.201 0.925 328 HA GLN 41 HA GLN 41 11.412 4.730 2.120 329 1HB GLN 41 2HB GLN 41 12.793 2.190 1.492 330 2HB GLN 41 1HB GLN 41 13.831 3.611 1.611 331 1HG GLN 41 2HG GLN 41 11.755 3.015 3.718 332 2HG GLN 41 1HG GLN 41 13.360 2.292 3.782 333 1HE2 GLN 41 2HE2 GLN 41 12.950 5.979 5.180 334 2HE2 GLN 41 1HE2 GLN 41 11.682 4.865 4.999 335 H GLU 42 H GLU 42 11.095 3.979 -1.178 336 HA GLU 42 HA GLU 42 12.892 6.268 -1.843 337 1HB GLU 42 2HB GLU 42 12.748 3.549 -3.114 338 2HB GLU 42 1HB GLU 42 13.271 4.947 -4.057 339 1HG GLU 42 2HG GLU 42 15.107 5.370 -2.590 340 2HG GLU 42 1HG GLU 42 14.485 4.253 -1.375 341 H VAL 43 H VAL 43 9.797 5.745 -1.632 342 HA VAL 43 HA VAL 43 9.188 7.313 -4.061 343 HB VAL 43 HB VAL 43 7.697 4.731 -3.510 344 1HG1 VAL 43 1HG1 VAL 43 7.480 6.964 -5.499 345 2HG1 VAL 43 3HG1 VAL 43 7.061 5.330 -6.013 346 3HG1 VAL 43 2HG1 VAL 43 6.199 6.080 -4.669 347 1HG2 VAL 43 1HG2 VAL 43 9.838 5.397 -5.556 348 2HG2 VAL 43 3HG2 VAL 43 9.929 4.170 -4.293 349 3HG2 VAL 43 2HG2 VAL 43 8.807 3.968 -5.639 350 H LEU 44 H LEU 44 7.929 5.806 -1.076 351 HA LEU 44 HA LEU 44 5.467 7.255 -1.054 352 1HB LEU 44 2HB LEU 44 6.195 5.203 0.353 353 2HB LEU 44 1HB LEU 44 6.863 6.394 1.466 354 HG LEU 44 HG LEU 44 4.631 7.521 1.534 355 1HD1 LEU 44 3HD1 LEU 44 3.987 5.228 -0.308 356 2HD1 LEU 44 2HD1 LEU 44 2.731 5.910 0.726 357 3HD1 LEU 44 1HD1 LEU 44 3.546 6.929 -0.461 358 1HD2 LEU 44 3HD2 LEU 44 5.087 4.696 2.417 359 2HD2 LEU 44 2HD2 LEU 44 4.887 6.154 3.389 360 3HD2 LEU 44 1HD2 LEU 44 3.483 5.392 2.643 361 HA PRO 45 HA PRO 45 7.553 10.445 1.744 362 1HB PRO 45 2HB PRO 45 10.289 10.622 1.788 363 2HB PRO 45 1HB PRO 45 9.347 9.697 2.971 364 1HG PRO 45 2HG PRO 45 10.981 8.712 0.682 365 2HG PRO 45 1HG PRO 45 10.592 7.911 2.214 366 1HD PRO 45 2HD PRO 45 9.364 7.378 -0.254 367 2HD PRO 45 1HD PRO 45 8.742 6.905 1.338 368 H LYS 46 H LYS 46 8.796 9.561 -1.378 369 HA LYS 46 HA LYS 46 9.905 12.133 -2.086 370 1HB LYS 46 2HB LYS 46 9.708 9.549 -3.260 371 2HB LYS 46 1HB LYS 46 8.984 10.680 -4.403 372 1HG LYS 46 2HG LYS 46 10.962 11.926 -4.620 373 2HG LYS 46 1HG LYS 46 11.616 11.330 -3.093 374 1HD LYS 46 2HD LYS 46 11.994 9.134 -4.037 375 2HD LYS 46 1HD LYS 46 11.158 9.581 -5.526 376 1HE LYS 46 2HE LYS 46 13.716 10.847 -4.495 377 2HE LYS 46 1HE LYS 46 13.607 9.695 -5.826 378 1HZ LYS 46 2HZ LYS 46 11.966 11.351 -6.819 379 2HZ LYS 46 1HZ LYS 46 12.595 12.465 -5.702 380 3HZ LYS 46 3HZ LYS 46 13.614 11.760 -6.859 381 H TYR 47 H TYR 47 6.672 11.148 -1.647 382 HA TYR 47 HA TYR 47 5.749 13.423 -3.356 383 1HB TYR 47 2HB TYR 47 4.552 10.694 -2.910 384 2HB TYR 47 1HB TYR 47 3.534 12.058 -3.383 385 HD1 TYR 47 HD2 TYR 47 6.595 10.151 -4.349 386 HD2 TYR 47 HD1 TYR 47 3.456 12.794 -5.626 387 HE1 TYR 47 HE2 TYR 47 7.324 9.881 -6.705 388 HE2 TYR 47 HE1 TYR 47 4.187 12.526 -7.982 389 HH TYR 47 HH TYR 47 5.526 10.566 -9.282 390 H PHE 48 H PHE 48 5.023 11.475 -0.461 391 HA PHE 48 HA PHE 48 3.263 13.605 0.580 392 1HB PHE 48 2HB PHE 48 4.092 10.941 1.772 393 2HB PHE 48 1HB PHE 48 2.870 12.022 2.441 394 HD1 PHE 48 HD2 PHE 48 3.743 9.960 -0.537 395 HD2 PHE 48 HD1 PHE 48 0.653 12.066 1.577 396 HE1 PHE 48 HE2 PHE 48 2.039 8.970 -2.040 397 HE2 PHE 48 HE1 PHE 48 -1.051 11.076 0.073 398 HZ PHE 48 HZ PHE 48 -0.357 9.527 -1.735 399 H LYS 49 H LYS 49 3.677 13.884 3.139 400 HA LYS 49 HA LYS 49 6.572 14.585 3.450 401 1HB LYS 49 2HB LYS 49 4.145 15.996 4.610 402 2HB LYS 49 1HB LYS 49 5.826 16.458 4.878 403 1HG LYS 49 2HG LYS 49 5.936 16.511 2.252 404 2HG LYS 49 1HG LYS 49 4.183 16.674 2.375 405 1HD LYS 49 2HD LYS 49 5.006 18.904 2.363 406 2HD LYS 49 1HD LYS 49 4.638 18.563 4.053 407 1HE LYS 49 2HE LYS 49 7.220 17.689 3.910 408 2HE LYS 49 1HE LYS 49 7.253 19.018 2.751 409 1HZ LYS 49 3HZ LYS 49 5.989 19.379 5.385 410 2HZ LYS 49 2HZ LYS 49 7.675 19.509 5.225 411 3HZ LYS 49 1HZ LYS 49 6.653 20.546 4.348 412 H HIS 50 H HIS 50 3.610 13.551 5.116 413 HA HIS 50 HA HIS 50 5.330 12.179 7.129 414 1HB HIS 50 2HB HIS 50 2.921 13.938 7.651 415 2HB HIS 50 1HB HIS 50 3.542 12.793 8.842 416 HD1 HIS 50 HD1 HIS 50 6.159 13.145 9.488 417 HD2 HIS 50 HD2 HIS 50 4.289 16.356 7.600 418 HE1 HIS 50 HE1 HIS 50 7.637 15.162 9.881 419 H SER 51 H SER 51 4.724 10.494 5.395 420 HA SER 51 HA SER 51 2.262 9.092 6.310 421 1HB SER 51 2HB SER 51 1.671 10.265 4.222 422 2HB SER 51 1HB SER 51 3.048 9.525 3.410 423 HG SER 51 HG SER 51 0.783 8.524 3.340 424 H ASN 52 H ASN 52 2.481 6.844 6.334 425 HA ASN 52 HA ASN 52 5.132 5.770 5.455 426 1HB ASN 52 2HB ASN 52 3.692 5.564 8.027 427 2HB ASN 52 1HB ASN 52 4.297 4.026 7.412 428 1HD2 ASN 52 2HD2 ASN 52 7.184 6.921 7.884 429 2HD2 ASN 52 1HD2 ASN 52 5.713 7.335 7.144 430 H PHE 53 H PHE 53 4.967 3.285 5.163 431 HA PHE 53 HA PHE 53 3.155 2.669 3.095 432 1HB PHE 53 2HB PHE 53 3.730 0.259 3.615 433 2HB PHE 53 1HB PHE 53 5.119 1.316 3.370 434 HD1 PHE 53 HD2 PHE 53 2.990 -0.277 5.982 435 HD2 PHE 53 HD1 PHE 53 6.713 1.675 5.099 436 HE1 PHE 53 HE2 PHE 53 3.833 -0.867 8.237 437 HE2 PHE 53 HE1 PHE 53 7.557 1.084 7.356 438 HZ PHE 53 HZ PHE 53 6.116 -0.187 8.925 439 H ALA 54 H ALA 54 2.759 2.334 6.575 440 HA ALA 54 HA ALA 54 0.421 0.653 6.493 441 1HB ALA 54 2HB ALA 54 1.433 2.597 8.586 442 2HB ALA 54 1HB ALA 54 0.048 1.533 8.829 443 3HB ALA 54 3HB ALA 54 1.651 0.847 8.565 444 H SER 55 H SER 55 0.877 4.182 6.595 445 HA SER 55 HA SER 55 -1.949 4.789 6.700 446 1HB SER 55 2HB SER 55 0.320 6.257 7.056 447 2HB SER 55 1HB SER 55 -0.139 6.765 5.433 448 HG SER 55 HG SER 55 -1.468 7.077 7.874 449 H PHE 56 H PHE 56 0.264 3.972 4.133 450 HA PHE 56 HA PHE 56 -1.318 5.068 1.966 451 1HB PHE 56 2HB PHE 56 1.133 4.557 1.809 452 2HB PHE 56 1HB PHE 56 0.744 2.842 1.896 453 HD1 PHE 56 HD2 PHE 56 -1.014 5.614 0.087 454 HD2 PHE 56 HD1 PHE 56 1.227 1.964 -0.227 455 HE1 PHE 56 HE2 PHE 56 -1.413 5.581 -2.361 456 HE2 PHE 56 HE1 PHE 56 0.829 1.931 -2.674 457 HZ PHE 56 HZ PHE 56 -0.490 3.738 -3.740 458 H VAL 57 H VAL 57 -1.040 1.913 3.533 459 HA VAL 57 HA VAL 57 -2.876 0.577 1.726 460 HB VAL 57 HB VAL 57 -2.082 -0.225 4.539 461 1HG1 VAL 57 3HG1 VAL 57 -4.033 -1.406 3.489 462 2HG1 VAL 57 2HG1 VAL 57 -2.968 -1.900 2.173 463 3HG1 VAL 57 1HG1 VAL 57 -2.662 -2.467 3.814 464 1HG2 VAL 57 3HG2 VAL 57 -0.375 0.154 2.355 465 2HG2 VAL 57 2HG2 VAL 57 -0.037 -0.829 3.778 466 3HG2 VAL 57 1HG2 VAL 57 -0.715 -1.576 2.332 467 H ARG 58 H ARG 58 -3.204 2.448 4.673 468 HA ARG 58 HA ARG 58 -5.886 1.543 5.307 469 1HB ARG 58 2HB ARG 58 -3.931 3.354 6.426 470 2HB ARG 58 1HB ARG 58 -5.496 4.160 6.352 471 1HG ARG 58 2HG ARG 58 -6.480 2.048 7.402 472 2HG ARG 58 1HG ARG 58 -4.820 1.550 7.722 473 1HD ARG 58 2HD ARG 58 -4.480 3.760 8.900 474 2HD ARG 58 1HD ARG 58 -6.216 4.033 8.746 475 HE ARG 58 HE ARG 58 -5.577 1.469 9.978 476 1HH1 ARG 58 2HH1 ARG 58 -7.544 4.033 10.344 477 2HH1 ARG 58 1HH1 ARG 58 -7.310 4.259 12.045 478 1HH2 ARG 58 1HH2 ARG 58 -4.601 2.097 12.221 479 2HH2 ARG 58 2HH2 ARG 58 -5.639 3.161 13.109 480 H GLN 59 H GLN 59 -4.608 4.509 3.762 481 HA GLN 59 HA GLN 59 -7.140 5.682 3.183 482 1HB GLN 59 2HB GLN 59 -4.497 5.911 1.716 483 2HB GLN 59 1HB GLN 59 -5.888 6.955 1.428 484 1HG GLN 59 2HG GLN 59 -4.724 6.621 4.192 485 2HG GLN 59 1HG GLN 59 -4.080 7.812 3.062 486 1HE2 GLN 59 2HE2 GLN 59 -6.608 10.106 3.863 487 2HE2 GLN 59 1HE2 GLN 59 -5.006 9.830 3.376 488 H LEU 60 H LEU 60 -5.101 3.458 1.298 489 HA LEU 60 HA LEU 60 -6.673 3.426 -1.076 490 1HB LEU 60 2HB LEU 60 -4.850 1.375 0.194 491 2HB LEU 60 1HB LEU 60 -5.635 1.099 -1.361 492 HG LEU 60 HG LEU 60 -3.994 3.574 -0.796 493 1HD1 LEU 60 1HD1 LEU 60 -3.153 0.835 -1.726 494 2HD1 LEU 60 3HD1 LEU 60 -2.283 2.268 -2.270 495 3HD1 LEU 60 2HD1 LEU 60 -2.372 1.891 -0.550 496 1HD2 LEU 60 2HD2 LEU 60 -5.096 2.211 -3.265 497 2HD2 LEU 60 1HD2 LEU 60 -5.426 3.845 -2.690 498 3HD2 LEU 60 3HD2 LEU 60 -3.841 3.448 -3.352 499 H ASN 61 H ASN 61 -6.830 1.342 1.819 500 HA ASN 61 HA ASN 61 -9.019 -0.258 0.839 501 1HB ASN 61 2HB ASN 61 -7.637 0.129 3.454 502 2HB ASN 61 1HB ASN 61 -9.236 -0.614 3.476 503 1HD2 ASN 61 2HD2 ASN 61 -6.235 -2.586 1.455 504 2HD2 ASN 61 1HD2 ASN 61 -6.190 -0.892 1.546 505 H MET 62 H MET 62 -8.889 2.917 2.231 506 HA MET 62 HA MET 62 -11.664 2.838 3.192 507 1HB MET 62 2HB MET 62 -9.658 4.233 4.136 508 2HB MET 62 1HB MET 62 -10.077 5.363 2.849 509 1HG MET 62 2HG MET 62 -12.548 4.852 3.881 510 2HG MET 62 1HG MET 62 -11.557 4.686 5.330 511 1HE MET 62 3HE MET 62 -12.210 6.336 6.675 512 2HE MET 62 2HE MET 62 -12.301 8.075 6.404 513 3HE MET 62 1HE MET 62 -13.533 7.017 5.718 514 H TYR 63 H TYR 63 -9.985 3.801 0.270 515 HA TYR 63 HA TYR 63 -12.350 5.303 -0.689 516 1HB TYR 63 2HB TYR 63 -9.554 4.889 -1.721 517 2HB TYR 63 1HB TYR 63 -10.819 5.510 -2.785 518 HD1 TYR 63 HD2 TYR 63 -12.239 7.493 -1.876 519 HD2 TYR 63 HD1 TYR 63 -8.408 6.366 -0.299 520 HE1 TYR 63 HE2 TYR 63 -11.994 9.745 -0.869 521 HE2 TYR 63 HE1 TYR 63 -8.161 8.616 0.712 522 HH TYR 63 HH TYR 63 -10.650 10.706 1.168 523 H GLY 64 H GLY 64 -10.448 2.440 -1.679 524 1HA GLY 64 2HA GLY 64 -12.490 0.710 -2.298 525 2HA GLY 64 1HA GLY 64 -12.405 1.733 -3.731 526 H TRP 65 H TRP 65 -10.179 -0.091 -1.592 527 HA TRP 65 HA TRP 65 -8.879 -1.189 -4.040 528 1HB TRP 65 2HB TRP 65 -7.524 0.216 -1.734 529 2HB TRP 65 1HB TRP 65 -6.663 -0.969 -2.714 530 HD1 TRP 65 HD1 TRP 65 -8.208 2.505 -2.868 531 HE1 TRP 65 HE1 TRP 65 -7.445 3.668 -5.039 532 HE3 TRP 65 HE3 TRP 65 -5.869 -1.400 -5.187 533 HZ2 TRP 65 HZ2 TRP 65 -6.029 3.026 -7.442 534 HZ3 TRP 65 HZ3 TRP 65 -4.824 -1.096 -7.412 535 HH2 TRP 65 HH2 TRP 65 -4.901 1.108 -8.542 536 H HIS 66 H HIS 66 -8.487 -3.372 -3.853 537 HA HIS 66 HA HIS 66 -8.626 -4.575 -1.121 538 1HB HIS 66 2HB HIS 66 -10.070 -5.505 -3.617 539 2HB HIS 66 1HB HIS 66 -9.924 -6.471 -2.149 540 HD1 HIS 66 HD1 HIS 66 -11.877 -6.234 -0.644 541 HD2 HIS 66 HD2 HIS 66 -11.219 -2.746 -2.829 542 HE1 HIS 66 HE1 HIS 66 -13.705 -4.616 0.027 543 H LYS 67 H LYS 67 -6.912 -5.880 -0.748 544 HA LYS 67 HA LYS 67 -5.072 -6.548 -2.943 545 1HB LYS 67 2HB LYS 67 -4.712 -7.739 -0.221 546 2HB LYS 67 1HB LYS 67 -3.507 -7.076 -1.316 547 1HG LYS 67 2HG LYS 67 -4.694 -4.786 -0.802 548 2HG LYS 67 1HG LYS 67 -5.291 -5.631 0.625 549 1HD LYS 67 2HD LYS 67 -2.370 -5.404 -0.163 550 2HD LYS 67 1HD LYS 67 -3.161 -4.433 1.079 551 1HE LYS 67 2HE LYS 67 -3.085 -7.462 1.136 552 2HE LYS 67 1HE LYS 67 -1.902 -6.446 1.960 553 1HZ LYS 67 3HZ LYS 67 -3.716 -5.402 3.181 554 2HZ LYS 67 2HZ LYS 67 -4.839 -6.414 2.405 555 3HZ LYS 67 1HZ LYS 67 -3.678 -7.075 3.454 556 H VAL 68 H VAL 68 -4.728 -8.649 -3.742 557 HA VAL 68 HA VAL 68 -5.951 -10.983 -2.541 558 HB VAL 68 HB VAL 68 -7.969 -9.919 -3.490 559 1HG1 VAL 68 2HG1 VAL 68 -6.173 -9.520 -5.762 560 2HG1 VAL 68 1HG1 VAL 68 -7.705 -10.246 -6.248 561 3HG1 VAL 68 3HG1 VAL 68 -7.693 -8.714 -5.378 562 1HG2 VAL 68 1HG2 VAL 68 -7.474 -12.475 -3.534 563 2HG2 VAL 68 3HG2 VAL 68 -8.824 -11.871 -4.494 564 3HG2 VAL 68 2HG2 VAL 68 -7.289 -12.254 -5.273 565 H GLN 69 H GLN 69 -5.282 -12.923 -3.616 566 HA GLN 69 HA GLN 69 -3.546 -12.603 -6.004 567 1HB GLN 69 2HB GLN 69 -2.109 -12.405 -3.960 568 2HB GLN 69 1HB GLN 69 -2.637 -14.019 -3.483 569 1HG GLN 69 2HG GLN 69 -1.554 -15.048 -5.297 570 2HG GLN 69 1HG GLN 69 -1.452 -13.542 -6.210 571 1HE2 GLN 69 2HE2 GLN 69 1.256 -14.198 -3.182 572 2HE2 GLN 69 1HE2 GLN 69 -0.236 -15.007 -3.147 573 H ASP 70 H ASP 70 -4.290 -15.171 -3.609 574 HA ASP 70 HA ASP 70 -5.931 -16.670 -5.461 575 1HB ASP 70 2HB ASP 70 -3.620 -16.993 -6.430 576 2HB ASP 70 1HB ASP 70 -3.171 -17.802 -4.927 577 H VAL 71 H VAL 71 -7.323 -16.990 -3.743 578 HA VAL 71 HA VAL 71 -8.128 -17.724 -1.670 579 HB VAL 71 HB VAL 71 -7.787 -20.095 -1.299 580 1HG1 VAL 71 2HG1 VAL 71 -9.155 -19.406 -3.236 581 2HG1 VAL 71 1HG1 VAL 71 -7.718 -19.434 -4.257 582 3HG1 VAL 71 3HG1 VAL 71 -8.326 -20.930 -3.550 583 1HG2 VAL 71 3HG2 VAL 71 -5.242 -19.952 -1.659 584 2HG2 VAL 71 2HG2 VAL 71 -6.050 -21.377 -2.313 585 3HG2 VAL 71 1HG2 VAL 71 -5.594 -20.052 -3.384 586 H LYS 72 H LYS 72 -7.068 -19.280 0.369 587 HA LYS 72 HA LYS 72 -5.032 -17.412 1.482 588 1HB LYS 72 2HB LYS 72 -7.219 -19.070 2.608 589 2HB LYS 72 1HB LYS 72 -5.752 -18.986 3.583 590 1HG LYS 72 2HG LYS 72 -6.983 -16.485 2.436 591 2HG LYS 72 1HG LYS 72 -7.568 -17.168 3.954 592 1HD LYS 72 2HD LYS 72 -5.056 -17.206 4.642 593 2HD LYS 72 1HD LYS 72 -4.841 -16.060 3.319 594 1HE LYS 72 2HE LYS 72 -7.028 -15.003 4.587 595 2HE LYS 72 1HE LYS 72 -6.131 -15.678 5.947 596 1HZ LYS 72 3HZ LYS 72 -4.901 -13.946 3.879 597 2HZ LYS 72 2HZ LYS 72 -5.531 -13.351 5.341 598 3HZ LYS 72 1HZ LYS 72 -4.222 -14.434 5.356 599 H SER 73 H SER 73 -2.959 -18.109 1.321 600 HA SER 73 HA SER 73 -2.388 -20.996 1.062 601 1HB SER 73 2HB SER 73 -0.128 -20.298 0.493 602 2HB SER 73 1HB SER 73 -1.266 -19.307 -0.415 603 HG SER 73 HG SER 73 0.600 -18.336 0.920 604 H GLY 74 H GLY 74 -3.210 -21.201 3.393 605 1HA GLY 74 2HA GLY 74 -1.258 -20.305 5.433 606 2HA GLY 74 1HA GLY 74 -2.817 -21.060 5.761 607 H SER 75 H SER 75 -0.865 -22.585 3.335 608 HA SER 75 HA SER 75 0.780 -24.258 4.931 609 1HB SER 75 2HB SER 75 -0.740 -26.379 4.545 610 2HB SER 75 1HB SER 75 -1.012 -25.354 5.950 611 HG SER 75 HG SER 75 -2.975 -25.577 5.002 612 H MET 76 H MET 76 1.716 -23.319 2.807 613 HA MET 76 HA MET 76 1.955 -25.497 0.899 614 1HB MET 76 2HB MET 76 -0.217 -24.272 0.265 615 2HB MET 76 1HB MET 76 0.818 -22.925 -0.209 616 1HG MET 76 2HG MET 76 0.462 -24.234 -2.188 617 2HG MET 76 1HG MET 76 2.108 -24.575 -1.652 618 1HE MET 76 3HE MET 76 1.361 -26.021 -3.530 619 2HE MET 76 2HE MET 76 1.969 -27.566 -2.942 620 3HE MET 76 1HE MET 76 0.284 -27.422 -3.438 621 H LEU 77 H LEU 77 4.170 -25.387 0.989 622 HA LEU 77 HA LEU 77 5.717 -22.993 1.195 623 1HB LEU 77 2HB LEU 77 6.341 -25.810 0.311 624 2HB LEU 77 1HB LEU 77 7.572 -24.550 0.262 625 HG LEU 77 HG LEU 77 5.967 -24.954 2.767 626 1HD1 LEU 77 3HD1 LEU 77 8.200 -26.671 1.708 627 2HD1 LEU 77 2HD1 LEU 77 8.024 -26.420 3.444 628 3HD1 LEU 77 1HD1 LEU 77 6.717 -27.163 2.524 629 1HD2 LEU 77 2HD2 LEU 77 8.701 -23.889 2.032 630 2HD2 LEU 77 1HD2 LEU 77 7.361 -23.018 2.779 631 3HD2 LEU 77 3HD2 LEU 77 8.247 -24.234 3.701 632 H SER 78 H SER 78 7.576 -22.891 -0.777 633 HA SER 78 HA SER 78 7.980 -22.114 -2.948 634 1HB SER 78 2HB SER 78 5.409 -23.403 -3.845 635 2HB SER 78 1HB SER 78 6.907 -23.190 -4.745 636 HG SER 78 HG SER 78 6.132 -25.210 -3.119 637 H ASN 79 H ASN 79 7.599 -19.924 -2.353 638 HA ASN 79 HA ASN 79 5.243 -18.735 -3.639 639 1HB ASN 79 2HB ASN 79 5.525 -18.972 -0.688 640 2HB ASN 79 1HB ASN 79 5.019 -17.395 -1.297 641 1HD2 ASN 79 2HD2 ASN 79 2.206 -20.110 -0.966 642 2HD2 ASN 79 1HD2 ASN 79 3.614 -19.996 -0.027 643 H ASN 80 H ASN 80 5.690 -16.651 -4.321 644 HA ASN 80 HA ASN 80 8.413 -15.747 -4.328 645 1HB ASN 80 2HB ASN 80 5.794 -14.429 -5.058 646 2HB ASN 80 1HB ASN 80 7.334 -13.579 -5.193 647 1HD2 ASN 80 2HD2 ASN 80 6.274 -16.154 -8.082 648 2HD2 ASN 80 1HD2 ASN 80 5.203 -15.618 -6.879 649 H ASP 81 H ASP 81 5.554 -14.746 -2.463 650 HA ASP 81 HA ASP 81 5.366 -13.478 -0.503 651 1HB ASP 81 2HB ASP 81 8.122 -14.654 -0.298 652 2HB ASP 81 1HB ASP 81 7.598 -13.459 0.887 653 H SER 82 H SER 82 6.236 -12.206 -3.044 654 HA SER 82 HA SER 82 7.078 -9.636 -1.890 655 1HB SER 82 2HB SER 82 8.835 -9.609 -3.917 656 2HB SER 82 1HB SER 82 9.275 -10.185 -2.312 657 HG SER 82 HG SER 82 8.279 -11.805 -4.423 658 H ARG 83 H ARG 83 4.675 -10.583 -3.170 659 HA ARG 83 HA ARG 83 4.634 -8.724 -5.495 660 1HB ARG 83 2HB ARG 83 4.072 -11.646 -5.501 661 2HB ARG 83 1HB ARG 83 2.952 -10.631 -6.409 662 1HG ARG 83 2HG ARG 83 4.456 -10.329 -8.062 663 2HG ARG 83 1HG ARG 83 5.692 -9.811 -6.918 664 1HD ARG 83 2HD ARG 83 5.690 -12.462 -6.396 665 2HD ARG 83 1HD ARG 83 5.203 -12.499 -8.090 666 HE ARG 83 HE ARG 83 7.423 -10.743 -7.869 667 1HH1 ARG 83 2HH1 ARG 83 6.895 -13.433 -9.453 668 2HH1 ARG 83 1HH1 ARG 83 8.329 -14.297 -9.006 669 1HH2 ARG 83 1HH2 ARG 83 9.160 -12.122 -6.438 670 2HH2 ARG 83 2HH2 ARG 83 9.609 -13.556 -7.301 671 H TRP 84 H TRP 84 3.514 -7.321 -3.965 672 HA TRP 84 HA TRP 84 0.940 -8.216 -2.862 673 1HB TRP 84 2HB TRP 84 2.290 -5.501 -2.900 674 2HB TRP 84 1HB TRP 84 0.765 -5.837 -2.088 675 HD1 TRP 84 HD1 TRP 84 4.197 -7.655 -2.140 676 HE1 TRP 84 HE1 TRP 84 4.841 -8.192 0.295 677 HE3 TRP 84 HE3 TRP 84 0.196 -5.624 0.295 678 HZ2 TRP 84 HZ2 TRP 84 3.798 -7.807 2.931 679 HZ3 TRP 84 HZ3 TRP 84 0.046 -5.717 2.765 680 HH2 TRP 84 HH2 TRP 84 1.841 -6.807 4.086 681 H GLU 85 H GLU 85 -0.677 -8.456 -4.342 682 HA GLU 85 HA GLU 85 -0.802 -6.752 -6.732 683 1HB GLU 85 2HB GLU 85 -2.419 -9.068 -5.678 684 2HB GLU 85 1HB GLU 85 -3.019 -8.096 -7.020 685 1HG GLU 85 2HG GLU 85 -1.698 -9.235 -8.442 686 2HG GLU 85 1HG GLU 85 -0.273 -8.689 -7.561 687 H PHE 86 H PHE 86 -2.286 -5.108 -7.080 688 HA PHE 86 HA PHE 86 -4.053 -4.392 -4.770 689 1HB PHE 86 2HB PHE 86 -2.494 -2.591 -6.649 690 2HB PHE 86 1HB PHE 86 -3.721 -2.007 -5.526 691 HD1 PHE 86 HD1 PHE 86 -0.698 -4.256 -5.496 692 HD2 PHE 86 HD2 PHE 86 -2.995 -1.256 -3.449 693 HE1 PHE 86 HE1 PHE 86 0.976 -4.214 -3.667 694 HE2 PHE 86 HE2 PHE 86 -1.313 -1.218 -1.628 695 HZ PHE 86 HZ PHE 86 0.668 -2.699 -1.736 696 H GLU 87 H GLU 87 -5.847 -5.492 -5.767 697 HA GLU 87 HA GLU 87 -6.669 -4.828 -8.487 698 1HB GLU 87 2HB GLU 87 -7.158 -7.020 -7.300 699 2HB GLU 87 1HB GLU 87 -8.334 -6.139 -6.324 700 1HG GLU 87 2HG GLU 87 -9.663 -5.601 -8.226 701 2HG GLU 87 1HG GLU 87 -8.389 -6.090 -9.345 702 H ASN 88 H ASN 88 -8.694 -3.712 -8.997 703 HA ASN 88 HA ASN 88 -9.884 -2.042 -6.869 704 1HB ASN 88 2HB ASN 88 -7.925 -0.747 -7.740 705 2HB ASN 88 1HB ASN 88 -8.651 -0.799 -9.347 706 1HD2 ASN 88 2HD2 ASN 88 -10.027 2.343 -8.306 707 2HD2 ASN 88 1HD2 ASN 88 -8.757 1.631 -9.179 708 H GLU 89 H GLU 89 -11.932 -2.851 -7.238 709 HA GLU 89 HA GLU 89 -13.989 -3.153 -8.315 710 1HB GLU 89 2HB GLU 89 -13.292 -0.665 -8.940 711 2HB GLU 89 1HB GLU 89 -13.148 -1.358 -10.556 712 1HG GLU 89 2HG GLU 89 -15.480 -2.354 -10.168 713 2HG GLU 89 1HG GLU 89 -15.594 -1.267 -8.783 714 H ARG 90 H ARG 90 -14.098 -5.189 -9.132 715 HA ARG 90 HA ARG 90 -12.508 -5.908 -11.529 716 1HB ARG 90 2HB ARG 90 -13.267 -8.214 -11.044 717 2HB ARG 90 1HB ARG 90 -12.556 -7.473 -9.614 718 1HG ARG 90 2HG ARG 90 -15.263 -6.765 -9.472 719 2HG ARG 90 1HG ARG 90 -15.280 -8.438 -10.027 720 1HD ARG 90 2HD ARG 90 -13.404 -8.633 -8.094 721 2HD ARG 90 1HD ARG 90 -14.370 -7.315 -7.432 722 HE ARG 90 HE ARG 90 -16.078 -9.465 -8.296 723 1HH1 ARG 90 2HH1 ARG 90 -16.040 -7.817 -5.675 724 2HH1 ARG 90 1HH1 ARG 90 -15.781 -9.080 -4.519 725 1HH2 ARG 90 1HH2 ARG 90 -14.786 -11.406 -6.889 726 2HH2 ARG 90 2HH2 ARG 90 -15.069 -11.111 -5.207 727 H HIS 91 H HIS 91 -14.470 -7.873 -12.510 728 HA HIS 91 HA HIS 91 -16.199 -5.981 -13.976 729 1HB HIS 91 2HB HIS 91 -16.709 -7.938 -15.412 730 2HB HIS 91 1HB HIS 91 -14.972 -7.681 -15.263 731 HD1 HIS 91 HD1 HIS 91 -13.626 -9.390 -13.810 732 HD2 HIS 91 HD2 HIS 91 -17.673 -10.308 -14.196 733 HE1 HIS 91 HE1 HIS 91 -13.905 -11.765 -12.975 734 H ALA 92 HN ALA 92 -17.040 -6.042 -11.388 735 HA ALA 92 HA ALA 92 -19.581 -7.599 -11.573 736 1HB ALA 92 2HB ALA 92 -17.696 -8.460 -9.918 737 2HB ALA 92 1HB ALA 92 -18.303 -7.155 -8.898 738 3HB ALA 92 3HB ALA 92 -19.387 -8.445 -9.418 No H/Q in entry = 738 Start of MODEL 4 Raw file had 756 H/Q atoms Start of MODEL 4 1 1H ALA 1 3H ALA 1 -16.523 15.829 -6.720 2 2H ALA 1 2H ALA 1 -16.480 14.132 -6.785 3 3H ALA 1 1H ALA 1 -17.898 14.931 -6.299 4 HA ALA 1 HA ALA 1 -17.067 15.491 -4.240 5 1HB ALA 1 1HB ALA 1 -17.149 12.901 -4.881 6 2HB ALA 1 3HB ALA 1 -15.417 13.021 -4.577 7 3HB ALA 1 2HB ALA 1 -16.566 13.438 -3.305 8 H ARG 2 H ARG 2 -14.539 14.887 -6.599 9 HA ARG 2 HA ARG 2 -12.354 15.697 -6.756 10 1HB ARG 2 2HB ARG 2 -13.221 17.626 -4.578 11 2HB ARG 2 1HB ARG 2 -11.854 17.822 -5.674 12 1HG ARG 2 2HG ARG 2 -13.235 18.182 -7.540 13 2HG ARG 2 1HG ARG 2 -14.636 17.444 -6.765 14 1HD ARG 2 2HD ARG 2 -14.980 19.322 -5.350 15 2HD ARG 2 1HD ARG 2 -13.377 19.976 -5.699 16 HE ARG 2 HE ARG 2 -14.756 19.844 -8.160 17 1HH1 ARG 2 1HH2 ARG 2 -13.866 22.019 -5.833 18 2HH1 ARG 2 2HH2 ARG 2 -15.143 23.154 -6.123 19 1HH2 ARG 2 2HH1 ARG 2 -16.906 21.040 -8.228 20 2HH2 ARG 2 1HH1 ARG 2 -16.863 22.600 -7.476 21 HA PRO 3 HA PRO 3 -11.060 13.551 -2.960 22 1HB PRO 3 2HB PRO 3 -10.081 11.246 -4.084 23 2HB PRO 3 1HB PRO 3 -11.763 11.444 -3.564 24 1HG PRO 3 2HG PRO 3 -10.649 11.401 -6.317 25 2HG PRO 3 1HG PRO 3 -12.282 11.007 -5.759 26 1HD PRO 3 2HD PRO 3 -11.474 13.419 -7.008 27 2HD PRO 3 1HD PRO 3 -13.024 13.121 -6.198 28 H ALA 4 H ALA 4 -9.131 14.389 -2.301 29 HA ALA 4 HA ALA 4 -7.022 15.072 -4.168 30 1HB ALA 4 3HB ALA 4 -7.490 16.398 -2.130 31 2HB ALA 4 2HB ALA 4 -6.975 15.032 -1.139 32 3HB ALA 4 1HB ALA 4 -5.814 15.850 -2.186 33 H PHE 5 H PHE 5 -7.644 12.278 -2.133 34 HA PHE 5 HA PHE 5 -4.865 11.358 -2.214 35 1HB PHE 5 2HB PHE 5 -6.502 10.765 -0.375 36 2HB PHE 5 1HB PHE 5 -7.307 9.713 -1.540 37 HD1 PHE 5 HD2 PHE 5 -4.035 10.381 0.115 38 HD2 PHE 5 HD1 PHE 5 -6.430 7.569 -2.080 39 HE1 PHE 5 HE2 PHE 5 -2.340 8.616 0.525 40 HE2 PHE 5 HE1 PHE 5 -4.736 5.806 -1.672 41 HZ PHE 5 HZ PHE 5 -2.691 6.329 -0.369 42 H VAL 6 H VAL 6 -7.845 10.701 -4.018 43 HA VAL 6 HA VAL 6 -6.716 8.495 -5.533 44 HB VAL 6 HB VAL 6 -9.031 10.290 -6.302 45 1HG1 VAL 6 1HG1 VAL 6 -8.133 7.518 -7.111 46 2HG1 VAL 6 3HG1 VAL 6 -9.763 8.117 -7.423 47 3HG1 VAL 6 2HG1 VAL 6 -8.373 8.923 -8.150 48 1HG2 VAL 6 2HG2 VAL 6 -9.309 9.344 -4.021 49 2HG2 VAL 6 1HG2 VAL 6 -10.460 8.649 -5.162 50 3HG2 VAL 6 3HG2 VAL 6 -9.037 7.729 -4.675 51 H ASN 7 H ASN 7 -6.929 11.988 -5.936 52 HA ASN 7 HA ASN 7 -6.002 12.039 -8.674 53 1HB ASN 7 2HB ASN 7 -6.183 14.084 -6.465 54 2HB ASN 7 1HB ASN 7 -5.416 14.475 -8.005 55 1HD2 ASN 7 2HD2 ASN 7 -9.170 15.151 -8.086 56 2HD2 ASN 7 1HD2 ASN 7 -7.982 15.564 -6.946 57 H LYS 8 H LYS 8 -4.351 12.577 -5.538 58 HA LYS 8 HA LYS 8 -1.752 12.934 -6.704 59 1HB LYS 8 2HB LYS 8 -0.884 12.739 -4.459 60 2HB LYS 8 1HB LYS 8 -2.406 13.617 -4.362 61 1HG LYS 8 2HG LYS 8 -3.500 11.342 -3.875 62 2HG LYS 8 1HG LYS 8 -1.867 10.734 -3.618 63 1HD LYS 8 2HD LYS 8 -3.180 13.024 -2.117 64 2HD LYS 8 1HD LYS 8 -2.857 11.413 -1.479 65 1HE LYS 8 2HE LYS 8 -0.421 11.787 -1.838 66 2HE LYS 8 1HE LYS 8 -0.773 13.423 -2.391 67 1HZ LYS 8 1HZ LYS 8 -1.505 12.343 0.275 68 2HZ LYS 8 3HZ LYS 8 -0.158 13.327 -0.031 69 3HZ LYS 8 2HZ LYS 8 -1.726 13.939 -0.263 70 H LEU 9 H LEU 9 -3.652 10.103 -6.005 71 HA LEU 9 HA LEU 9 -1.528 8.183 -5.870 72 1HB LEU 9 2HB LEU 9 -3.874 7.714 -5.170 73 2HB LEU 9 1HB LEU 9 -4.371 7.790 -6.860 74 HG LEU 9 HG LEU 9 -2.781 5.939 -7.377 75 1HD1 LEU 9 1HD1 LEU 9 -2.408 5.982 -4.370 76 2HD1 LEU 9 3HD1 LEU 9 -1.894 4.650 -5.405 77 3HD1 LEU 9 2HD1 LEU 9 -1.169 6.246 -5.597 78 1HD2 LEU 9 3HD2 LEU 9 -5.243 5.628 -6.645 79 2HD2 LEU 9 2HD2 LEU 9 -4.196 4.212 -6.575 80 3HD2 LEU 9 1HD2 LEU 9 -4.579 5.098 -5.101 81 H TRP 10 H TRP 10 -3.229 9.700 -8.564 82 HA TRP 10 HA TRP 10 -2.175 7.900 -10.588 83 1HB TRP 10 2HB TRP 10 -3.202 10.717 -10.966 84 2HB TRP 10 1HB TRP 10 -3.089 9.457 -12.190 85 HD1 TRP 10 HD1 TRP 10 -5.816 10.883 -11.453 86 HE1 TRP 10 HE1 TRP 10 -7.799 9.480 -10.606 87 HE3 TRP 10 HE3 TRP 10 -3.338 6.718 -9.769 88 HZ2 TRP 10 HZ2 TRP 10 -8.281 6.947 -9.387 89 HZ3 TRP 10 HZ3 TRP 10 -4.594 4.840 -8.779 90 HH2 TRP 10 HH2 TRP 10 -7.060 4.945 -8.583 91 H SER 11 H SER 11 -0.896 10.686 -8.939 92 HA SER 11 HA SER 11 1.047 11.330 -11.025 93 1HB SER 11 2HB SER 11 0.067 12.832 -9.074 94 2HB SER 11 1HB SER 11 1.428 12.168 -8.176 95 HG SER 11 HG SER 11 2.799 13.171 -9.484 96 H MET 12 H MET 12 0.975 9.301 -8.157 97 HA MET 12 HA MET 12 3.891 8.842 -8.295 98 1HB MET 12 2HB MET 12 3.573 7.462 -6.296 99 2HB MET 12 1HB MET 12 2.793 9.026 -6.085 100 1HG MET 12 2HG MET 12 0.630 7.914 -6.858 101 2HG MET 12 1HG MET 12 1.475 6.375 -6.721 102 1HE MET 12 1HE MET 12 2.801 5.744 -5.032 103 2HE MET 12 3HE MET 12 3.146 6.646 -3.551 104 3HE MET 12 2HE MET 12 1.928 5.373 -3.549 105 H VAL 13 H VAL 13 0.900 7.154 -9.100 106 HA VAL 13 HA VAL 13 2.391 4.708 -9.815 107 HB VAL 13 HB VAL 13 -0.566 5.264 -10.181 108 1HG1 VAL 13 1HG1 VAL 13 1.089 3.121 -10.999 109 2HG1 VAL 13 3HG1 VAL 13 0.210 2.529 -9.592 110 3HG1 VAL 13 2HG1 VAL 13 -0.672 3.158 -10.981 111 1HG2 VAL 13 2HG2 VAL 13 1.040 4.647 -7.767 112 2HG2 VAL 13 1HG2 VAL 13 -0.557 5.379 -7.896 113 3HG2 VAL 13 3HG2 VAL 13 -0.381 3.630 -7.994 114 H ASN 14 H ASN 14 1.802 7.632 -11.348 115 HA ASN 14 HA ASN 14 0.982 6.840 -13.960 116 1HB ASN 14 2HB ASN 14 2.225 8.932 -14.702 117 2HB ASN 14 1HB ASN 14 1.008 9.187 -13.453 118 1HD2 ASN 14 2HD2 ASN 14 3.864 11.020 -12.124 119 2HD2 ASN 14 1HD2 ASN 14 2.613 11.205 -13.256 120 H ASP 15 H ASP 15 3.989 6.401 -12.275 121 HA ASP 15 HA ASP 15 5.920 5.241 -12.886 122 1HB ASP 15 2HB ASP 15 4.551 4.554 -15.496 123 2HB ASP 15 1HB ASP 15 5.820 3.658 -14.666 124 H LYS 16 H LYS 16 5.795 8.018 -13.396 125 HA LYS 16 HA LYS 16 6.981 8.390 -16.083 126 1HB LYS 16 2HB LYS 16 5.317 10.037 -15.084 127 2HB LYS 16 1HB LYS 16 6.577 10.489 -13.936 128 1HG LYS 16 2HG LYS 16 7.087 12.024 -15.561 129 2HG LYS 16 1HG LYS 16 7.991 10.666 -16.230 130 1HD LYS 16 2HD LYS 16 5.820 10.048 -17.466 131 2HD LYS 16 1HD LYS 16 5.257 11.662 -17.034 132 1HE LYS 16 2HE LYS 16 7.931 11.261 -18.367 133 2HE LYS 16 1HE LYS 16 6.451 11.371 -19.318 134 1HZ LYS 16 2HZ LYS 16 5.981 13.500 -18.277 135 2HZ LYS 16 1HZ LYS 16 7.416 13.396 -17.372 136 3HZ LYS 16 3HZ LYS 16 7.488 13.532 -19.062 137 H SER 17 H SER 17 7.882 8.881 -12.665 138 HA SER 17 HA SER 17 10.743 8.923 -13.539 139 1HB SER 17 2HB SER 17 9.979 10.990 -12.402 140 2HB SER 17 1HB SER 17 9.510 10.033 -11.000 141 HG SER 17 HG SER 17 11.616 9.562 -10.617 142 H ASN 18 H ASN 18 8.369 7.263 -11.607 143 HA ASN 18 HA ASN 18 10.522 5.646 -10.326 144 1HB ASN 18 2HB ASN 18 8.563 4.739 -8.929 145 2HB ASN 18 1HB ASN 18 9.029 6.413 -8.637 146 1HD2 ASN 18 2HD2 ASN 18 5.798 7.567 -9.364 147 2HD2 ASN 18 1HD2 ASN 18 7.245 7.767 -8.504 148 H GLU 19 H GLU 19 9.597 5.398 -13.164 149 HA GLU 19 HA GLU 19 7.997 2.991 -13.393 150 1HB GLU 19 2HB GLU 19 8.180 4.564 -15.267 151 2HB GLU 19 1HB GLU 19 9.916 4.317 -15.348 152 1HG GLU 19 2HG GLU 19 9.216 2.869 -17.021 153 2HG GLU 19 1HG GLU 19 9.191 1.766 -15.649 154 H LYS 20 H LYS 20 9.020 1.563 -11.901 155 HA LYS 20 HA LYS 20 10.826 -0.326 -12.904 156 1HB LYS 20 2HB LYS 20 12.312 1.921 -12.425 157 2HB LYS 20 1HB LYS 20 12.401 1.141 -10.852 158 1HG LYS 20 2HG LYS 20 12.936 -1.015 -12.237 159 2HG LYS 20 1HG LYS 20 13.359 0.126 -13.512 160 1HD LYS 20 2HD LYS 20 14.824 1.308 -11.787 161 2HD LYS 20 1HD LYS 20 14.571 -0.097 -10.750 162 1HE LYS 20 2HE LYS 20 15.277 -1.353 -13.034 163 2HE LYS 20 1HE LYS 20 16.169 0.153 -13.244 164 1HZ LYS 20 2HZ LYS 20 16.261 -1.414 -10.734 165 2HZ LYS 20 1HZ LYS 20 17.349 -1.680 -12.013 166 3HZ LYS 20 3HZ LYS 20 17.308 -0.174 -11.235 167 H PHE 21 H PHE 21 9.694 1.453 -10.061 168 HA PHE 21 HA PHE 21 9.768 -1.091 -8.493 169 1HB PHE 21 2HB PHE 21 9.316 1.698 -7.410 170 2HB PHE 21 1HB PHE 21 9.719 0.243 -6.501 171 HD1 PHE 21 HD1 PHE 21 11.958 -0.975 -7.303 172 HD2 PHE 21 HD2 PHE 21 11.038 3.173 -7.948 173 HE1 PHE 21 HE1 PHE 21 14.371 -0.484 -7.595 174 HE2 PHE 21 HE2 PHE 21 13.451 3.662 -8.240 175 HZ PHE 21 HZ PHE 21 15.118 1.835 -8.062 176 H ILE 22 H ILE 22 7.605 0.390 -10.430 177 HA ILE 22 HA ILE 22 5.341 -0.901 -9.242 178 HB ILE 22 HB ILE 22 5.530 0.967 -7.631 179 1HG1 ILE 22 2HG1 ILE 22 3.165 1.576 -9.398 180 2HG1 ILE 22 1HG1 ILE 22 3.279 0.035 -8.545 181 1HG2 ILE 22 2HG2 ILE 22 6.495 2.478 -9.582 182 2HG2 ILE 22 1HG2 ILE 22 4.799 2.921 -9.778 183 3HG2 ILE 22 3HG2 ILE 22 5.612 3.200 -8.238 184 1HD1 ILE 22 2HD1 ILE 22 3.889 1.707 -6.514 185 2HD1 ILE 22 1HD1 ILE 22 2.851 2.772 -7.462 186 3HD1 ILE 22 3HD1 ILE 22 2.234 1.224 -6.885 187 H HIS 23 H HIS 23 3.766 -1.138 -10.796 188 HA HIS 23 HA HIS 23 3.438 0.768 -12.983 189 1HB HIS 23 2HB HIS 23 3.968 -0.922 -14.766 190 2HB HIS 23 1HB HIS 23 5.384 -0.399 -13.855 191 HD1 HIS 23 HD1 HIS 23 5.944 -2.064 -11.704 192 HD2 HIS 23 HD2 HIS 23 3.706 -3.669 -14.833 193 HE1 HIS 23 HE1 HIS 23 6.095 -4.581 -11.473 194 H TRP 24 H TRP 24 1.703 -0.062 -14.523 195 HA TRP 24 HA TRP 24 -0.460 -1.229 -12.961 196 1HB TRP 24 2HB TRP 24 -0.299 -0.568 -15.920 197 2HB TRP 24 1HB TRP 24 -1.769 -1.001 -15.058 198 HD1 TRP 24 HD1 TRP 24 0.346 1.162 -12.891 199 HE1 TRP 24 HE1 TRP 24 -0.527 3.584 -12.916 200 HE3 TRP 24 HE3 TRP 24 -2.905 0.897 -16.829 201 HZ2 TRP 24 HZ2 TRP 24 -2.361 5.194 -14.393 202 HZ3 TRP 24 HZ3 TRP 24 -4.202 2.893 -17.517 203 HH2 TRP 24 HH2 TRP 24 -3.936 5.039 -16.305 204 H SER 25 H SER 25 -1.485 -3.263 -13.370 205 HA SER 25 HA SER 25 0.281 -5.425 -14.040 206 1HB SER 25 2HB SER 25 -1.951 -5.385 -12.629 207 2HB SER 25 1HB SER 25 -2.704 -5.730 -14.183 208 HG SER 25 HG SER 25 -1.256 -7.343 -12.549 209 H THR 26 H THR 26 -0.589 -7.116 -15.779 210 HA THR 26 HA THR 26 -0.515 -5.697 -18.354 211 HB THR 26 HB THR 26 -0.745 -8.678 -17.860 212 HG1 THR 26 HG1 THR 26 1.549 -7.027 -18.096 213 1HG2 THR 26 2HG2 THR 26 -0.220 -6.911 -20.198 214 2HG2 THR 26 1HG2 THR 26 0.707 -8.409 -20.101 215 3HG2 THR 26 3HG2 THR 26 -1.055 -8.463 -20.125 216 H SER 27 H SER 27 -2.788 -7.644 -16.471 217 HA SER 27 HA SER 27 -4.906 -6.945 -18.467 218 1HB SER 27 2HB SER 27 -4.219 -9.512 -17.154 219 2HB SER 27 1HB SER 27 -5.937 -9.127 -17.212 220 HG SER 27 HG SER 27 -5.039 -10.262 -19.086 221 H GLY 28 H GLY 28 -5.830 -5.190 -17.435 222 1HA GLY 28 2HA GLY 28 -7.740 -4.772 -15.855 223 2HA GLY 28 1HA GLY 28 -6.804 -5.645 -14.640 224 H GLU 29 H GLU 29 -7.097 -3.595 -13.388 225 HA GLU 29 HA GLU 29 -4.977 -1.615 -14.124 226 1HB GLU 29 2HB GLU 29 -6.422 0.121 -13.012 227 2HB GLU 29 1HB GLU 29 -7.122 -0.543 -14.489 228 1HG GLU 29 2HG GLU 29 -7.768 -1.857 -11.873 229 2HG GLU 29 1HG GLU 29 -8.582 -0.349 -12.290 230 H SER 30 H SER 30 -4.599 -3.903 -12.454 231 HA SER 30 HA SER 30 -4.778 -3.020 -9.659 232 1HB SER 30 2HB SER 30 -5.022 -5.372 -9.982 233 2HB SER 30 1HB SER 30 -3.606 -5.452 -11.025 234 HG SER 30 HG SER 30 -2.305 -5.149 -9.276 235 H ILE 31 H ILE 31 -2.749 -2.950 -8.303 236 HA ILE 31 HA ILE 31 -0.554 -1.644 -9.859 237 HB ILE 31 HB ILE 31 -1.080 -1.406 -6.883 238 1HG1 ILE 31 2HG1 ILE 31 -1.780 0.670 -8.965 239 2HG1 ILE 31 1HG1 ILE 31 -2.950 -0.551 -8.463 240 1HG2 ILE 31 1HG2 ILE 31 0.736 -0.072 -8.879 241 2HG2 ILE 31 3HG2 ILE 31 0.249 0.777 -7.412 242 3HG2 ILE 31 2HG2 ILE 31 1.133 -0.744 -7.297 243 1HD1 ILE 31 3HD1 ILE 31 -1.519 1.367 -6.601 244 2HD1 ILE 31 2HD1 ILE 31 -3.193 1.521 -7.135 245 3HD1 ILE 31 1HD1 ILE 31 -2.712 0.160 -6.122 246 H VAL 32 H VAL 32 1.059 -3.076 -10.229 247 HA VAL 32 HA VAL 32 1.575 -5.307 -8.392 248 HB VAL 32 HB VAL 32 3.142 -4.433 -10.836 249 1HG1 VAL 32 3HG1 VAL 32 4.137 -6.075 -9.109 250 2HG1 VAL 32 2HG1 VAL 32 2.896 -7.202 -9.657 251 3HG1 VAL 32 1HG1 VAL 32 4.103 -6.599 -10.792 252 1HG2 VAL 32 3HG2 VAL 32 0.741 -4.853 -11.339 253 2HG2 VAL 32 2HG2 VAL 32 1.789 -6.072 -12.064 254 3HG2 VAL 32 1HG2 VAL 32 0.882 -6.447 -10.598 255 H VAL 33 H VAL 33 3.342 -5.491 -7.015 256 HA VAL 33 HA VAL 33 5.070 -3.062 -6.754 257 HB VAL 33 HB VAL 33 4.134 -4.980 -4.591 258 1HG1 VAL 33 3HG1 VAL 33 6.169 -2.779 -4.651 259 2HG1 VAL 33 2HG1 VAL 33 5.178 -2.956 -3.203 260 3HG1 VAL 33 1HG1 VAL 33 6.187 -4.294 -3.750 261 1HG2 VAL 33 1HG2 VAL 33 3.395 -2.150 -5.358 262 2HG2 VAL 33 3HG2 VAL 33 2.323 -3.538 -5.160 263 3HG2 VAL 33 2HG2 VAL 33 3.076 -2.794 -3.748 264 HA PRO 34 HA PRO 34 7.772 -6.603 -7.802 265 1HB PRO 34 2HB PRO 34 9.658 -5.125 -9.144 266 2HB PRO 34 1HB PRO 34 8.233 -5.835 -9.925 267 1HG PRO 34 2HG PRO 34 8.770 -2.995 -9.224 268 2HG PRO 34 1HG PRO 34 7.719 -3.664 -10.484 269 1HD PRO 34 2HD PRO 34 6.878 -2.635 -7.987 270 2HD PRO 34 1HD PRO 34 5.889 -3.574 -9.122 271 H ASN 35 H ASN 35 8.263 -3.470 -6.328 272 HA ASN 35 HA ASN 35 10.291 -4.655 -4.525 273 1HB ASN 35 2HB ASN 35 10.864 -2.691 -6.598 274 2HB ASN 35 1HB ASN 35 11.234 -2.044 -5.001 275 1HD2 ASN 35 2HD2 ASN 35 13.419 -5.192 -6.459 276 2HD2 ASN 35 1HD2 ASN 35 11.960 -4.760 -7.211 277 H ARG 36 H ARG 36 8.926 -4.489 -2.752 278 HA ARG 36 HA ARG 36 7.457 -1.983 -2.239 279 1HB ARG 36 2HB ARG 36 6.507 -4.288 -1.776 280 2HB ARG 36 1HB ARG 36 7.682 -4.431 -0.469 281 1HG ARG 36 2HG ARG 36 6.355 -1.891 -0.223 282 2HG ARG 36 1HG ARG 36 5.133 -3.147 -0.407 283 1HD ARG 36 2HD ARG 36 7.350 -3.830 1.427 284 2HD ARG 36 1HD ARG 36 6.311 -2.514 1.970 285 HE ARG 36 HE ARG 36 5.137 -5.130 1.132 286 1HH1 ARG 36 1HH2 ARG 36 3.755 -2.530 2.229 287 2HH1 ARG 36 2HH2 ARG 36 3.356 -3.071 3.826 288 1HH2 ARG 36 2HH1 ARG 36 5.425 -5.853 3.684 289 2HH2 ARG 36 1HH1 ARG 36 4.303 -4.955 4.650 290 H GLU 37 H GLU 37 10.275 -3.714 -1.059 291 HA GLU 37 HA GLU 37 10.665 -2.084 1.300 292 1HB GLU 37 2HB GLU 37 12.938 -3.089 1.332 293 2HB GLU 37 1HB GLU 37 11.677 -4.306 1.138 294 1HG GLU 37 2HG GLU 37 12.088 -4.440 -1.248 295 2HG GLU 37 1HG GLU 37 13.214 -3.087 -1.170 296 H ARG 38 H ARG 38 11.434 -1.663 -2.077 297 HA ARG 38 HA ARG 38 13.294 0.571 -1.455 298 1HB ARG 38 2HB ARG 38 12.534 -0.805 -4.046 299 2HB ARG 38 1HB ARG 38 13.597 0.601 -3.965 300 1HG ARG 38 2HG ARG 38 14.214 -1.719 -2.187 301 2HG ARG 38 1HG ARG 38 14.580 -1.876 -3.905 302 1HD ARG 38 2HD ARG 38 15.997 0.069 -3.860 303 2HD ARG 38 1HD ARG 38 15.471 0.483 -2.227 304 HE ARG 38 HE ARG 38 16.607 -2.128 -2.161 305 1HH1 ARG 38 1HH2 ARG 38 18.408 -0.356 -4.002 306 2HH1 ARG 38 2HH2 ARG 38 19.607 0.136 -2.853 307 1HH2 ARG 38 2HH1 ARG 38 17.748 -0.843 -0.095 308 2HH2 ARG 38 1HH1 ARG 38 19.233 -0.139 -0.642 309 H PHE 39 H PHE 39 10.208 -0.093 -3.062 310 HA PHE 39 HA PHE 39 9.686 2.547 -4.005 311 1HB PHE 39 2HB PHE 39 8.352 0.791 -4.891 312 2HB PHE 39 1HB PHE 39 7.941 0.182 -3.294 313 HD1 PHE 39 HD2 PHE 39 6.429 1.557 -1.803 314 HD2 PHE 39 HD1 PHE 39 7.001 2.445 -5.975 315 HE1 PHE 39 HE2 PHE 39 4.335 2.891 -1.811 316 HE2 PHE 39 HE1 PHE 39 4.909 3.779 -5.975 317 HZ PHE 39 HZ PHE 39 3.577 4.000 -3.895 318 H VAL 40 H VAL 40 9.072 1.009 -0.863 319 HA VAL 40 HA VAL 40 7.551 3.262 0.162 320 HB VAL 40 HB VAL 40 8.874 0.896 1.532 321 1HG1 VAL 40 3HG1 VAL 40 8.591 2.890 3.060 322 2HG1 VAL 40 2HG1 VAL 40 6.862 2.829 2.723 323 3HG1 VAL 40 1HG1 VAL 40 7.650 1.478 3.537 324 1HG2 VAL 40 3HG2 VAL 40 6.947 0.460 -0.021 325 2HG2 VAL 40 2HG2 VAL 40 6.617 0.014 1.653 326 3HG2 VAL 40 1HG2 VAL 40 5.954 1.508 0.992 327 H GLN 41 H GLN 41 10.768 1.981 0.958 328 HA GLN 41 HA GLN 41 11.575 4.174 2.586 329 1HB GLN 41 2HB GLN 41 12.633 1.713 1.902 330 2HB GLN 41 1HB GLN 41 13.776 2.839 1.171 331 1HG GLN 41 2HG GLN 41 14.419 3.726 3.208 332 2HG GLN 41 1HG GLN 41 12.860 3.397 3.964 333 1HE2 GLN 41 2HE2 GLN 41 15.684 0.892 4.899 334 2HE2 GLN 41 1HE2 GLN 41 15.818 2.560 4.612 335 H GLU 42 H GLU 42 11.237 4.124 -0.836 336 HA GLU 42 HA GLU 42 13.011 6.533 -0.988 337 1HB GLU 42 2HB GLU 42 12.495 4.505 -3.179 338 2HB GLU 42 1HB GLU 42 13.548 5.915 -3.295 339 1HG GLU 42 2HG GLU 42 14.309 4.445 -0.954 340 2HG GLU 42 1HG GLU 42 14.183 3.304 -2.292 341 H VAL 43 H VAL 43 10.301 4.956 -2.724 342 HA VAL 43 HA VAL 43 9.460 7.523 -3.836 343 HB VAL 43 HB VAL 43 8.012 4.867 -3.933 344 1HG1 VAL 43 3HG1 VAL 43 7.580 7.542 -5.099 345 2HG1 VAL 43 2HG1 VAL 43 7.521 6.227 -6.272 346 3HG1 VAL 43 1HG1 VAL 43 6.443 6.213 -4.877 347 1HG2 VAL 43 2HG2 VAL 43 10.371 4.750 -4.774 348 2HG2 VAL 43 1HG2 VAL 43 9.176 4.491 -6.043 349 3HG2 VAL 43 3HG2 VAL 43 9.993 6.048 -5.907 350 H LEU 44 H LEU 44 8.894 6.127 -0.787 351 HA LEU 44 HA LEU 44 6.098 7.013 -0.595 352 1HB LEU 44 2HB LEU 44 7.092 5.070 0.733 353 2HB LEU 44 1HB LEU 44 7.868 6.284 1.742 354 HG LEU 44 HG LEU 44 5.594 7.323 2.092 355 1HD1 LEU 44 1HD1 LEU 44 4.796 4.801 0.625 356 2HD1 LEU 44 3HD1 LEU 44 3.680 5.683 1.667 357 3HD1 LEU 44 2HD1 LEU 44 4.356 6.464 0.238 358 1HD2 LEU 44 2HD2 LEU 44 6.784 5.599 3.619 359 2HD2 LEU 44 1HD2 LEU 44 5.057 5.855 3.869 360 3HD2 LEU 44 3HD2 LEU 44 5.618 4.438 2.983 361 HA PRO 45 HA PRO 45 7.992 10.460 1.982 362 1HB PRO 45 2HB PRO 45 10.687 10.933 1.913 363 2HB PRO 45 1HB PRO 45 9.907 9.900 3.124 364 1HG PRO 45 2HG PRO 45 11.557 9.120 0.775 365 2HG PRO 45 1HG PRO 45 11.293 8.258 2.300 366 1HD PRO 45 2HD PRO 45 10.049 7.682 -0.170 367 2HD PRO 45 1HD PRO 45 9.582 7.049 1.414 368 H LYS 46 H LYS 46 8.664 9.757 -1.249 369 HA LYS 46 HA LYS 46 9.721 12.389 -1.986 370 1HB LYS 46 2HB LYS 46 9.887 9.947 -3.165 371 2HB LYS 46 1HB LYS 46 8.556 10.648 -4.084 372 1HG LYS 46 2HG LYS 46 9.870 12.385 -4.921 373 2HG LYS 46 1HG LYS 46 11.032 12.276 -3.598 374 1HD LYS 46 2HD LYS 46 11.759 10.052 -4.481 375 2HD LYS 46 1HD LYS 46 10.684 10.288 -5.859 376 1HE LYS 46 2HE LYS 46 12.160 12.664 -5.729 377 2HE LYS 46 1HE LYS 46 13.336 11.396 -5.382 378 1HZ LYS 46 3HZ LYS 46 12.557 10.220 -7.369 379 2HZ LYS 46 2HZ LYS 46 11.505 11.509 -7.717 380 3HZ LYS 46 1HZ LYS 46 13.186 11.751 -7.741 381 H TYR 47 H TYR 47 6.589 10.783 -1.890 382 HA TYR 47 HA TYR 47 5.344 13.202 -3.119 383 1HB TYR 47 2HB TYR 47 4.299 10.386 -2.714 384 2HB TYR 47 1HB TYR 47 3.310 11.720 -3.309 385 HD1 TYR 47 HD2 TYR 47 6.523 9.917 -3.982 386 HD2 TYR 47 HD1 TYR 47 3.296 12.243 -5.602 387 HE1 TYR 47 HE2 TYR 47 7.412 9.557 -6.269 388 HE2 TYR 47 HE1 TYR 47 4.184 11.882 -7.889 389 HH TYR 47 HH TYR 47 7.154 11.016 -8.588 390 H PHE 48 H PHE 48 5.457 11.230 -0.212 391 HA PHE 48 HA PHE 48 3.484 13.072 1.075 392 1HB PHE 48 2HB PHE 48 4.432 10.321 1.943 393 2HB PHE 48 1HB PHE 48 3.254 11.312 2.803 394 HD1 PHE 48 HD2 PHE 48 3.910 9.551 -0.411 395 HD2 PHE 48 HD1 PHE 48 0.976 11.398 2.122 396 HE1 PHE 48 HE2 PHE 48 2.102 8.665 -1.859 397 HE2 PHE 48 HE1 PHE 48 -0.834 10.511 0.673 398 HZ PHE 48 HZ PHE 48 -0.270 9.144 -1.317 399 H LYS 49 H LYS 49 4.101 13.024 3.656 400 HA LYS 49 HA LYS 49 7.017 13.673 3.841 401 1HB LYS 49 2HB LYS 49 4.645 15.253 4.850 402 2HB LYS 49 1HB LYS 49 6.272 15.487 5.492 403 1HG LYS 49 2HG LYS 49 7.119 16.163 3.366 404 2HG LYS 49 1HG LYS 49 5.663 15.615 2.534 405 1HD LYS 49 2HD LYS 49 4.387 17.413 3.296 406 2HD LYS 49 1HD LYS 49 5.441 17.706 4.679 407 1HE LYS 49 2HE LYS 49 6.001 19.462 3.224 408 2HE LYS 49 1HE LYS 49 7.248 18.261 2.884 409 1HZ LYS 49 3HZ LYS 49 4.719 18.310 1.360 410 2HZ LYS 49 2HZ LYS 49 6.024 19.307 0.922 411 3HZ LYS 49 1HZ LYS 49 6.206 17.618 0.926 412 H HIS 50 H HIS 50 4.347 13.710 6.208 413 HA HIS 50 HA HIS 50 5.948 11.839 7.891 414 1HB HIS 50 2HB HIS 50 3.876 13.941 8.529 415 2HB HIS 50 1HB HIS 50 4.298 12.689 9.698 416 HD1 HIS 50 HD1 HIS 50 5.943 15.450 7.666 417 HD2 HIS 50 HD2 HIS 50 6.670 13.163 11.074 418 HE1 HIS 50 HE1 HIS 50 8.025 16.411 8.741 419 H SER 51 H SER 51 5.090 10.074 6.472 420 HA SER 51 HA SER 51 2.518 9.078 7.566 421 1HB SER 51 2HB SER 51 3.050 9.821 4.744 422 2HB SER 51 1HB SER 51 2.242 8.276 4.989 423 HG SER 51 HG SER 51 0.750 9.441 6.349 424 H ASN 52 H ASN 52 2.251 6.732 6.313 425 HA ASN 52 HA ASN 52 4.869 5.383 6.108 426 1HB ASN 52 2HB ASN 52 3.365 5.382 8.535 427 2HB ASN 52 1HB ASN 52 3.229 3.769 7.841 428 1HD2 ASN 52 2HD2 ASN 52 6.637 2.952 8.396 429 2HD2 ASN 52 1HD2 ASN 52 5.184 2.485 7.653 430 H PHE 53 H PHE 53 4.702 3.343 5.029 431 HA PHE 53 HA PHE 53 2.824 3.080 2.981 432 1HB PHE 53 2HB PHE 53 3.489 0.659 2.912 433 2HB PHE 53 1HB PHE 53 4.854 1.771 2.953 434 HD1 PHE 53 HD2 PHE 53 2.871 -0.662 4.898 435 HD2 PHE 53 HD1 PHE 53 6.289 1.938 4.910 436 HE1 PHE 53 HE2 PHE 53 3.706 -1.769 6.953 437 HE2 PHE 53 HE1 PHE 53 7.126 0.830 6.964 438 HZ PHE 53 HZ PHE 53 5.833 -1.022 7.987 439 H ALA 54 H ALA 54 2.552 1.944 6.306 440 HA ALA 54 HA ALA 54 0.301 0.217 5.983 441 1HB ALA 54 2HB ALA 54 1.162 1.930 8.333 442 2HB ALA 54 1HB ALA 54 -0.107 0.708 8.416 443 3HB ALA 54 3HB ALA 54 1.554 0.232 8.064 444 H SER 55 H SER 55 0.443 3.686 6.860 445 HA SER 55 HA SER 55 -2.388 4.096 6.920 446 1HB SER 55 2HB SER 55 -0.044 5.945 6.479 447 2HB SER 55 1HB SER 55 -1.702 6.536 6.433 448 HG SER 55 HG SER 55 -1.977 5.780 8.537 449 H PHE 56 H PHE 56 -0.062 3.979 4.302 450 HA PHE 56 HA PHE 56 -1.620 5.238 2.262 451 1HB PHE 56 2HB PHE 56 0.847 4.561 2.175 452 2HB PHE 56 1HB PHE 56 0.286 2.921 1.849 453 HD1 PHE 56 HD2 PHE 56 -1.464 2.670 -0.092 454 HD2 PHE 56 HD1 PHE 56 1.142 6.051 0.399 455 HE1 PHE 56 HE2 PHE 56 -1.766 3.252 -2.483 456 HE2 PHE 56 HE1 PHE 56 0.839 6.630 -1.993 457 HZ PHE 56 HZ PHE 56 -0.612 5.231 -3.430 458 H VAL 57 H VAL 57 -1.351 1.830 3.274 459 HA VAL 57 HA VAL 57 -3.187 0.754 1.370 460 HB VAL 57 HB VAL 57 -2.676 -0.241 4.188 461 1HG1 VAL 57 3HG1 VAL 57 -4.594 -1.199 2.768 462 2HG1 VAL 57 2HG1 VAL 57 -3.338 -1.835 1.706 463 3HG1 VAL 57 1HG1 VAL 57 -3.416 -2.356 3.389 464 1HG2 VAL 57 2HG2 VAL 57 -1.024 -0.252 1.711 465 2HG2 VAL 57 1HG2 VAL 57 -0.519 -0.276 3.400 466 3HG2 VAL 57 3HG2 VAL 57 -1.080 -1.758 2.626 467 H ARG 58 H ARG 58 -3.638 2.256 4.532 468 HA ARG 58 HA ARG 58 -6.381 1.563 4.909 469 1HB ARG 58 2HB ARG 58 -4.631 3.802 5.904 470 2HB ARG 58 1HB ARG 58 -6.356 3.786 6.276 471 1HG ARG 58 2HG ARG 58 -6.163 1.592 7.310 472 2HG ARG 58 1HG ARG 58 -4.470 1.477 6.831 473 1HD ARG 58 2HD ARG 58 -4.023 2.346 8.879 474 2HD ARG 58 1HD ARG 58 -4.535 3.884 8.186 475 HE ARG 58 HE ARG 58 -5.960 2.419 10.202 476 1HH1 ARG 58 1HH2 ARG 58 -6.058 5.303 8.724 477 2HH1 ARG 58 2HH2 ARG 58 -7.772 5.389 8.490 478 1HH2 ARG 58 2HH1 ARG 58 -8.317 2.061 9.303 479 2HH2 ARG 58 1HH1 ARG 58 -9.052 3.551 8.818 480 H GLN 59 H GLN 59 -4.872 4.349 3.259 481 HA GLN 59 HA GLN 59 -7.294 5.743 2.668 482 1HB GLN 59 2HB GLN 59 -4.809 5.657 0.936 483 2HB GLN 59 1HB GLN 59 -6.033 6.923 0.961 484 1HG GLN 59 2HG GLN 59 -4.159 6.199 3.234 485 2HG GLN 59 1HG GLN 59 -4.075 7.646 2.237 486 1HE2 GLN 59 2HE2 GLN 59 -6.145 8.000 5.525 487 2HE2 GLN 59 1HE2 GLN 59 -4.767 7.043 5.266 488 H LEU 60 H LEU 60 -5.485 3.325 0.751 489 HA LEU 60 HA LEU 60 -7.187 3.289 -1.518 490 1HB LEU 60 2HB LEU 60 -5.693 0.952 -0.292 491 2HB LEU 60 1HB LEU 60 -6.310 1.031 -1.939 492 HG LEU 60 HG LEU 60 -4.291 2.973 -0.786 493 1HD1 LEU 60 1HD1 LEU 60 -4.025 0.338 -2.150 494 2HD1 LEU 60 3HD1 LEU 60 -2.929 1.618 -2.673 495 3HD1 LEU 60 2HD1 LEU 60 -2.955 1.114 -0.983 496 1HD2 LEU 60 1HD2 LEU 60 -5.327 2.477 -3.596 497 2HD2 LEU 60 3HD2 LEU 60 -5.627 3.908 -2.610 498 3HD2 LEU 60 2HD2 LEU 60 -3.998 3.566 -3.195 499 H ASN 61 H ASN 61 -7.467 1.580 1.570 500 HA ASN 61 HA ASN 61 -9.706 -0.065 0.811 501 1HB ASN 61 2HB ASN 61 -8.075 -0.208 2.881 502 2HB ASN 61 1HB ASN 61 -9.282 0.829 3.644 503 1HD2 ASN 61 2HD2 ASN 61 -10.148 -3.088 2.931 504 2HD2 ASN 61 1HD2 ASN 61 -8.687 -2.413 2.393 505 H MET 62 H MET 62 -9.409 3.229 1.979 506 HA MET 62 HA MET 62 -12.289 3.453 2.537 507 1HB MET 62 2HB MET 62 -10.029 4.784 3.454 508 2HB MET 62 1HB MET 62 -10.782 5.966 2.385 509 1HG MET 62 2HG MET 62 -11.827 6.365 4.461 510 2HG MET 62 1HG MET 62 -12.988 5.350 3.608 511 1HE MET 62 2HE MET 62 -13.920 5.364 5.776 512 2HE MET 62 1HE MET 62 -14.224 3.636 5.614 513 3HE MET 62 3HE MET 62 -13.535 4.281 7.111 514 H TYR 63 H TYR 63 -10.936 3.099 -0.329 515 HA TYR 63 HA TYR 63 -12.577 5.259 -1.577 516 1HB TYR 63 2HB TYR 63 -9.849 4.225 -2.311 517 2HB TYR 63 1HB TYR 63 -10.892 4.941 -3.541 518 HD1 TYR 63 HD2 TYR 63 -12.146 7.173 -2.658 519 HD2 TYR 63 HD1 TYR 63 -8.378 5.683 -1.249 520 HE1 TYR 63 HE2 TYR 63 -11.555 9.442 -1.860 521 HE2 TYR 63 HE1 TYR 63 -7.784 7.954 -0.436 522 HH TYR 63 HH TYR 63 -9.696 10.219 0.229 523 H GLY 64 H GLY 64 -11.293 1.947 -1.977 524 1HA GLY 64 2HA GLY 64 -13.636 0.682 -2.696 525 2HA GLY 64 1HA GLY 64 -13.085 1.390 -4.212 526 H TRP 65 H TRP 65 -10.225 1.065 -3.461 527 HA TRP 65 HA TRP 65 -9.783 -1.526 -4.610 528 1HB TRP 65 2HB TRP 65 -7.853 0.158 -2.968 529 2HB TRP 65 1HB TRP 65 -7.415 -1.165 -4.048 530 HD1 TRP 65 HD1 TRP 65 -8.828 2.399 -4.099 531 HE1 TRP 65 HE1 TRP 65 -8.479 3.391 -6.451 532 HE3 TRP 65 HE3 TRP 65 -7.040 -1.719 -6.543 533 HZ2 TRP 65 HZ2 TRP 65 -7.563 2.555 -9.025 534 HZ3 TRP 65 HZ3 TRP 65 -6.436 -1.590 -8.943 535 HH2 TRP 65 HH2 TRP 65 -6.696 0.541 -10.187 536 H HIS 66 H HIS 66 -8.952 -3.437 -3.598 537 HA HIS 66 HA HIS 66 -9.174 -3.567 -0.633 538 1HB HIS 66 2HB HIS 66 -10.605 -5.349 -2.619 539 2HB HIS 66 1HB HIS 66 -10.397 -5.772 -0.921 540 HD1 HIS 66 HD1 HIS 66 -11.338 -3.844 0.810 541 HD2 HIS 66 HD2 HIS 66 -12.831 -3.775 -3.082 542 HE1 HIS 66 HE1 HIS 66 -13.461 -2.466 0.884 543 H LYS 67 H LYS 67 -7.302 -4.426 0.090 544 HA LYS 67 HA LYS 67 -5.322 -5.612 -1.584 545 1HB LYS 67 2HB LYS 67 -4.286 -6.352 0.589 546 2HB LYS 67 1HB LYS 67 -4.692 -4.635 0.543 547 1HG LYS 67 2HG LYS 67 -6.546 -4.902 1.953 548 2HG LYS 67 1HG LYS 67 -6.676 -6.629 1.613 549 1HD LYS 67 2HD LYS 67 -4.684 -7.102 2.895 550 2HD LYS 67 1HD LYS 67 -4.341 -5.381 3.086 551 1HE LYS 67 2HE LYS 67 -6.510 -5.138 4.315 552 2HE LYS 67 1HE LYS 67 -6.709 -6.889 4.229 553 1HZ LYS 67 3HZ LYS 67 -4.351 -6.904 5.249 554 2HZ LYS 67 2HZ LYS 67 -4.724 -5.317 5.727 555 3HZ LYS 67 1HZ LYS 67 -5.688 -6.615 6.253 556 H VAL 68 H VAL 68 -4.445 -7.945 -0.837 557 HA VAL 68 HA VAL 68 -6.344 -9.855 -1.803 558 HB VAL 68 HB VAL 68 -4.651 -11.546 -1.051 559 1HG1 VAL 68 1HG1 VAL 68 -4.543 -10.057 -3.191 560 2HG1 VAL 68 3HG1 VAL 68 -3.220 -9.242 -2.360 561 3HG1 VAL 68 2HG1 VAL 68 -3.107 -10.963 -2.722 562 1HG2 VAL 68 2HG2 VAL 68 -4.006 -10.030 0.963 563 2HG2 VAL 68 1HG2 VAL 68 -2.714 -10.904 0.140 564 3HG2 VAL 68 3HG2 VAL 68 -2.971 -9.191 -0.193 565 H GLN 69 H GLN 69 -6.608 -11.995 -0.334 566 HA GLN 69 HA GLN 69 -7.387 -11.203 2.429 567 1HB GLN 69 2HB GLN 69 -9.320 -11.200 0.623 568 2HB GLN 69 1HB GLN 69 -9.242 -12.949 0.844 569 1HG GLN 69 2HG GLN 69 -9.388 -12.492 3.358 570 2HG GLN 69 1HG GLN 69 -9.823 -10.838 2.929 571 1HE2 GLN 69 2HE2 GLN 69 -13.014 -11.799 1.536 572 2HE2 GLN 69 1HE2 GLN 69 -11.764 -10.667 1.349 573 H ASP 70 H ASP 70 -5.159 -12.778 1.401 574 HA ASP 70 HA ASP 70 -5.891 -15.476 2.473 575 1HB ASP 70 2HB ASP 70 -3.912 -16.301 1.169 576 2HB ASP 70 1HB ASP 70 -5.187 -15.634 0.149 577 H VAL 71 H VAL 71 -4.770 -16.177 4.255 578 HA VAL 71 HA VAL 71 -2.361 -14.610 5.081 579 HB VAL 71 HB VAL 71 -3.138 -14.965 7.467 580 1HG1 VAL 71 2HG1 VAL 71 -4.768 -13.296 5.540 581 2HG1 VAL 71 1HG1 VAL 71 -4.925 -13.163 7.293 582 3HG1 VAL 71 3HG1 VAL 71 -3.390 -12.783 6.513 583 1HG2 VAL 71 3HG2 VAL 71 -4.743 -16.790 6.990 584 2HG2 VAL 71 2HG2 VAL 71 -5.536 -15.438 7.800 585 3HG2 VAL 71 1HG2 VAL 71 -5.738 -15.666 6.063 586 H LYS 72 H LYS 72 -4.134 -17.689 5.335 587 HA LYS 72 HA LYS 72 -1.552 -19.110 5.429 588 1HB LYS 72 2HB LYS 72 -3.093 -18.612 7.794 589 2HB LYS 72 1HB LYS 72 -3.207 -20.333 7.431 590 1HG LYS 72 2HG LYS 72 -0.503 -19.135 7.162 591 2HG LYS 72 1HG LYS 72 -1.140 -19.239 8.805 592 1HD LYS 72 2HD LYS 72 -1.803 -21.700 7.959 593 2HD LYS 72 1HD LYS 72 -0.410 -21.425 6.912 594 1HE LYS 72 2HE LYS 72 -0.388 -21.070 9.922 595 2HE LYS 72 1HE LYS 72 0.206 -22.502 9.080 596 1HZ LYS 72 1HZ LYS 72 1.210 -19.733 8.697 597 2HZ LYS 72 3HZ LYS 72 1.996 -20.954 9.572 598 3HZ LYS 72 2HZ LYS 72 1.782 -21.117 7.894 599 H SER 73 H SER 73 -2.278 -19.864 3.347 600 HA SER 73 HA SER 73 -4.766 -21.457 3.244 601 1HB SER 73 2HB SER 73 -2.800 -20.422 1.237 602 2HB SER 73 1HB SER 73 -3.768 -21.831 0.811 603 HG SER 73 HG SER 73 -5.149 -20.299 0.305 604 H GLY 74 H GLY 74 -1.264 -21.967 2.724 605 1HA GLY 74 2HA GLY 74 -1.374 -24.613 3.915 606 2HA GLY 74 1HA GLY 74 -1.208 -24.688 2.160 607 H SER 75 H SER 75 0.807 -24.403 1.292 608 HA SER 75 HA SER 75 2.959 -23.420 3.125 609 1HB SER 75 2HB SER 75 3.293 -25.789 2.754 610 2HB SER 75 1HB SER 75 3.054 -25.600 1.020 611 HG SER 75 HG SER 75 5.209 -25.558 1.233 612 H MET 76 H MET 76 1.621 -21.558 1.645 613 HA MET 76 HA MET 76 3.165 -21.132 -0.855 614 1HB MET 76 2HB MET 76 0.509 -20.609 -0.128 615 2HB MET 76 1HB MET 76 1.270 -19.019 -0.158 616 1HG MET 76 2HG MET 76 2.217 -19.633 -2.432 617 2HG MET 76 1HG MET 76 1.180 -21.060 -2.395 618 1HE MET 76 3HE MET 76 -0.147 -20.713 -4.335 619 2HE MET 76 2HE MET 76 -0.987 -19.247 -4.834 620 3HE MET 76 1HE MET 76 0.775 -19.288 -4.833 621 H LEU 77 H LEU 77 4.306 -20.828 1.936 622 HA LEU 77 HA LEU 77 4.678 -17.990 2.386 623 1HB LEU 77 2HB LEU 77 5.845 -20.518 3.483 624 2HB LEU 77 1HB LEU 77 6.732 -19.014 3.738 625 HG LEU 77 HG LEU 77 3.786 -19.307 4.370 626 1HD1 LEU 77 1HD1 LEU 77 6.235 -19.900 6.018 627 2HD1 LEU 77 3HD1 LEU 77 4.761 -19.321 6.794 628 3HD1 LEU 77 2HD1 LEU 77 4.742 -20.829 5.880 629 1HD2 LEU 77 3HD2 LEU 77 5.940 -17.265 4.943 630 2HD2 LEU 77 2HD2 LEU 77 4.377 -17.016 4.165 631 3HD2 LEU 77 1HD2 LEU 77 4.459 -17.336 5.898 632 H SER 78 H SER 78 7.023 -17.093 2.367 633 HA SER 78 HA SER 78 8.883 -16.446 1.094 634 1HB SER 78 2HB SER 78 9.333 -18.998 1.530 635 2HB SER 78 1HB SER 78 8.930 -19.173 -0.175 636 HG SER 78 HG SER 78 10.578 -17.734 -0.671 637 H ASN 79 H ASN 79 6.715 -15.447 0.010 638 HA ASN 79 HA ASN 79 7.260 -15.296 -2.806 639 1HB ASN 79 2HB ASN 79 5.917 -17.569 -2.330 640 2HB ASN 79 1HB ASN 79 4.545 -16.463 -2.390 641 1HD2 ASN 79 2HD2 ASN 79 4.899 -15.775 -5.874 642 2HD2 ASN 79 1HD2 ASN 79 4.220 -15.225 -4.419 643 H ASN 80 H ASN 80 4.654 -14.992 -0.382 644 HA ASN 80 HA ASN 80 3.853 -12.412 -1.635 645 1HB ASN 80 2HB ASN 80 1.897 -12.582 -0.046 646 2HB ASN 80 1HB ASN 80 1.990 -13.897 -1.216 647 1HD2 ASN 80 2HD2 ASN 80 2.396 -14.699 2.751 648 2HD2 ASN 80 1HD2 ASN 80 2.206 -13.105 2.199 649 H ASP 81 H ASP 81 6.329 -12.737 -0.065 650 HA ASP 81 HA ASP 81 5.698 -11.161 2.380 651 1HB ASP 81 2HB ASP 81 8.101 -11.647 2.973 652 2HB ASP 81 1HB ASP 81 7.093 -13.085 2.818 653 H SER 82 H SER 82 7.217 -10.922 -0.760 654 HA SER 82 HA SER 82 7.572 -8.022 -0.326 655 1HB SER 82 2HB SER 82 9.831 -9.920 -0.983 656 2HB SER 82 1HB SER 82 9.909 -8.204 -1.371 657 HG SER 82 HG SER 82 10.796 -8.755 0.705 658 H ARG 83 H ARG 83 5.874 -9.839 -1.990 659 HA ARG 83 HA ARG 83 6.207 -8.423 -4.524 660 1HB ARG 83 2HB ARG 83 7.699 -10.647 -4.394 661 2HB ARG 83 1HB ARG 83 6.162 -11.391 -4.836 662 1HG ARG 83 2HG ARG 83 6.700 -8.992 -6.418 663 2HG ARG 83 1HG ARG 83 7.980 -10.192 -6.588 664 1HD ARG 83 2HD ARG 83 5.040 -10.868 -6.862 665 2HD ARG 83 1HD ARG 83 6.065 -10.439 -8.233 666 HE ARG 83 HE ARG 83 6.894 -12.704 -6.491 667 1HH1 ARG 83 2HH1 ARG 83 8.525 -13.288 -8.403 668 2HH1 ARG 83 1HH1 ARG 83 7.670 -13.901 -9.780 669 1HH2 ARG 83 1HH2 ARG 83 4.589 -12.699 -8.737 670 2HH2 ARG 83 2HH2 ARG 83 5.442 -13.568 -9.968 671 H TRP 84 H TRP 84 4.048 -7.721 -4.021 672 HA TRP 84 HA TRP 84 2.014 -9.790 -4.599 673 1HB TRP 84 2HB TRP 84 0.488 -8.476 -2.918 674 2HB TRP 84 1HB TRP 84 1.585 -9.711 -2.322 675 HD1 TRP 84 HD1 TRP 84 4.190 -8.497 -1.839 676 HE1 TRP 84 HE1 TRP 84 4.594 -6.455 -0.305 677 HE3 TRP 84 HE3 TRP 84 -0.492 -6.483 -1.824 678 HZ2 TRP 84 HZ2 TRP 84 3.108 -4.261 0.785 679 HZ3 TRP 84 HZ3 TRP 84 -0.977 -4.425 -0.530 680 HH2 TRP 84 HH2 TRP 84 0.814 -3.313 0.774 681 H GLU 85 H GLU 85 -0.266 -8.362 -4.752 682 HA GLU 85 HA GLU 85 0.382 -5.951 -6.391 683 1HB GLU 85 2HB GLU 85 -1.546 -8.160 -7.167 684 2HB GLU 85 1HB GLU 85 -1.281 -6.667 -8.068 685 1HG GLU 85 2HG GLU 85 1.042 -7.263 -8.471 686 2HG GLU 85 1HG GLU 85 0.886 -8.696 -7.454 687 H PHE 86 H PHE 86 -1.859 -4.856 -6.987 688 HA PHE 86 HA PHE 86 -3.557 -4.848 -4.518 689 1HB PHE 86 2HB PHE 86 -2.518 -2.589 -6.219 690 2HB PHE 86 1HB PHE 86 -3.980 -2.390 -5.255 691 HD1 PHE 86 HD2 PHE 86 -0.467 -3.679 -4.913 692 HD2 PHE 86 HD1 PHE 86 -3.767 -1.643 -3.062 693 HE1 PHE 86 HE2 PHE 86 0.916 -3.271 -2.895 694 HE2 PHE 86 HE1 PHE 86 -2.384 -1.235 -1.045 695 HZ PHE 86 HZ PHE 86 -0.043 -2.049 -0.961 696 H GLU 87 H GLU 87 -5.363 -5.969 -5.209 697 HA GLU 87 HA GLU 87 -6.477 -5.340 -7.898 698 1HB GLU 87 2HB GLU 87 -7.277 -7.514 -5.938 699 2HB GLU 87 1HB GLU 87 -7.827 -7.355 -7.606 700 1HG GLU 87 2HG GLU 87 -5.406 -7.519 -8.321 701 2HG GLU 87 1HG GLU 87 -5.011 -7.929 -6.652 702 H ASN 88 H ASN 88 -8.543 -4.445 -8.121 703 HA ASN 88 HA ASN 88 -9.528 -2.790 -6.019 704 1HB ASN 88 2HB ASN 88 -11.015 -3.813 -8.455 705 2HB ASN 88 1HB ASN 88 -11.488 -2.433 -7.463 706 1HD2 ASN 88 2HD2 ASN 88 -9.357 -0.217 -9.162 707 2HD2 ASN 88 1HD2 ASN 88 -10.659 -0.433 -8.095 708 H GLU 89 H GLU 89 -10.764 -5.821 -7.334 709 HA GLU 89 HA GLU 89 -11.827 -7.632 -6.273 710 1HB GLU 89 2HB GLU 89 -10.654 -6.680 -4.114 711 2HB GLU 89 1HB GLU 89 -12.269 -6.075 -3.745 712 1HG GLU 89 2HG GLU 89 -13.134 -8.173 -3.423 713 2HG GLU 89 1HG GLU 89 -12.098 -8.900 -4.651 714 H ARG 90 H ARG 90 -13.292 -4.723 -4.803 715 HA ARG 90 HA ARG 90 -15.538 -4.084 -4.668 716 1HB ARG 90 2HB ARG 90 -16.508 -3.549 -6.830 717 2HB ARG 90 1HB ARG 90 -14.785 -3.195 -6.859 718 1HG ARG 90 2HG ARG 90 -14.317 -5.223 -8.085 719 2HG ARG 90 1HG ARG 90 -15.984 -5.774 -7.904 720 1HD ARG 90 2HD ARG 90 -16.054 -4.859 -10.043 721 2HD ARG 90 1HD ARG 90 -16.544 -3.471 -9.072 722 HE ARG 90 HE ARG 90 -13.807 -3.198 -9.189 723 1HH1 ARG 90 2HH1 ARG 90 -16.435 -2.360 -11.030 724 2HH1 ARG 90 1HH1 ARG 90 -15.569 -2.123 -12.511 725 1HH2 ARG 90 1HH2 ARG 90 -12.613 -3.478 -11.309 726 2HH2 ARG 90 2HH2 ARG 90 -13.405 -2.754 -12.669 727 H HIS 91 H HIS 91 -17.822 -4.836 -6.110 728 HA HIS 91 HA HIS 91 -18.068 -7.772 -5.766 729 1HB HIS 91 2HB HIS 91 -18.641 -6.597 -3.583 730 2HB HIS 91 1HB HIS 91 -19.996 -5.856 -4.432 731 HD1 HIS 91 HD1 HIS 91 -20.206 -8.015 -2.068 732 HD2 HIS 91 HD2 HIS 91 -20.676 -8.779 -6.139 733 HE1 HIS 91 HE1 HIS 91 -21.604 -10.120 -2.245 734 H ALA 92 HN ALA 92 -20.214 -4.934 -6.243 735 HA ALA 92 HA ALA 92 -21.921 -6.283 -8.107 736 1HB ALA 92 1HB ALA 92 -22.321 -4.080 -6.770 737 2HB ALA 92 3HB ALA 92 -21.506 -3.299 -8.125 738 3HB ALA 92 2HB ALA 92 -22.992 -4.207 -8.396 No H/Q in entry = 738 Start of MODEL 5 Raw file had 756 H/Q atoms Start of MODEL 5 1 1H ALA 1 2H ALA 1 -15.526 11.016 -8.164 2 2H ALA 1 1H ALA 1 -17.138 11.089 -7.635 3 3H ALA 1 3H ALA 1 -16.515 12.320 -8.622 4 HA ALA 1 HA ALA 1 -16.589 13.165 -6.417 5 1HB ALA 1 2HB ALA 1 -16.598 10.782 -5.448 6 2HB ALA 1 1HB ALA 1 -14.839 10.851 -5.569 7 3HB ALA 1 3HB ALA 1 -15.699 12.001 -4.545 8 H ARG 2 H ARG 2 -14.695 14.254 -5.338 9 HA ARG 2 HA ARG 2 -12.253 14.193 -7.065 10 1HB ARG 2 2HB ARG 2 -13.778 16.186 -7.470 11 2HB ARG 2 1HB ARG 2 -13.444 16.683 -5.812 12 1HG ARG 2 2HG ARG 2 -10.924 16.365 -6.568 13 2HG ARG 2 1HG ARG 2 -11.608 16.616 -8.176 14 1HD ARG 2 2HD ARG 2 -12.171 18.476 -5.859 15 2HD ARG 2 1HD ARG 2 -10.829 18.726 -6.976 16 HE ARG 2 HE ARG 2 -13.052 18.421 -8.622 17 1HH1 ARG 2 2HH1 ARG 2 -11.315 20.895 -7.406 18 2HH1 ARG 2 1HH1 ARG 2 -12.608 22.043 -7.294 19 1HH2 ARG 2 1HH2 ARG 2 -15.096 19.693 -7.855 20 2HH2 ARG 2 2HH2 ARG 2 -14.749 21.362 -7.548 21 HA PRO 3 HA PRO 3 -10.955 14.048 -2.730 22 1HB PRO 3 2HB PRO 3 -9.861 11.537 -2.621 23 2HB PRO 3 1HB PRO 3 -11.574 11.868 -2.312 24 1HG PRO 3 2HG PRO 3 -10.316 10.584 -4.671 25 2HG PRO 3 1HG PRO 3 -11.979 10.458 -4.076 26 1HD PRO 3 2HD PRO 3 -11.064 12.050 -6.258 27 2HD PRO 3 1HD PRO 3 -12.687 12.050 -5.542 28 H ALA 4 H ALA 4 -8.871 14.569 -2.011 29 HA ALA 4 HA ALA 4 -6.832 15.046 -4.006 30 1HB ALA 4 3HB ALA 4 -6.867 15.246 -0.988 31 2HB ALA 4 2HB ALA 4 -5.433 15.623 -1.944 32 3HB ALA 4 1HB ALA 4 -6.910 16.561 -2.162 33 H PHE 5 H PHE 5 -7.551 12.379 -1.878 34 HA PHE 5 HA PHE 5 -4.918 11.215 -1.779 35 1HB PHE 5 2HB PHE 5 -6.802 10.570 -0.262 36 2HB PHE 5 1HB PHE 5 -7.604 9.804 -1.633 37 HD1 PHE 5 HD2 PHE 5 -4.544 9.731 0.480 38 HD2 PHE 5 HD1 PHE 5 -6.927 7.649 -2.424 39 HE1 PHE 5 HE2 PHE 5 -3.186 7.685 0.833 40 HE2 PHE 5 HE1 PHE 5 -5.567 5.603 -2.074 41 HZ PHE 5 HZ PHE 5 -3.696 5.621 -0.446 42 H VAL 6 H VAL 6 -7.768 10.408 -3.814 43 HA VAL 6 HA VAL 6 -6.377 8.544 -5.477 44 HB VAL 6 HB VAL 6 -8.826 10.228 -6.100 45 1HG1 VAL 6 3HG1 VAL 6 -7.375 8.085 -7.574 46 2HG1 VAL 6 2HG1 VAL 6 -9.133 7.951 -7.531 47 3HG1 VAL 6 1HG1 VAL 6 -8.374 9.398 -8.196 48 1HG2 VAL 6 1HG2 VAL 6 -8.395 7.530 -4.807 49 2HG2 VAL 6 3HG2 VAL 6 -9.307 8.904 -4.181 50 3HG2 VAL 6 2HG2 VAL 6 -9.938 7.970 -5.538 51 H ASN 7 H ASN 7 -6.892 12.058 -5.787 52 HA ASN 7 HA ASN 7 -5.748 12.328 -8.405 53 1HB ASN 7 2HB ASN 7 -6.131 14.210 -6.081 54 2HB ASN 7 1HB ASN 7 -5.233 14.727 -7.507 55 1HD2 ASN 7 2HD2 ASN 7 -9.192 13.731 -8.098 56 2HD2 ASN 7 1HD2 ASN 7 -8.285 12.837 -6.976 57 H LYS 8 H LYS 8 -4.366 12.034 -5.208 58 HA LYS 8 HA LYS 8 -1.661 12.755 -6.044 59 1HB LYS 8 2HB LYS 8 -1.871 13.274 -3.817 60 2HB LYS 8 1HB LYS 8 -3.098 12.054 -3.541 61 1HG LYS 8 2HG LYS 8 -0.389 10.947 -4.022 62 2HG LYS 8 1HG LYS 8 -0.522 11.948 -2.584 63 1HD LYS 8 2HD LYS 8 -1.486 10.229 -1.499 64 2HD LYS 8 1HD LYS 8 -2.849 10.321 -2.611 65 1HE LYS 8 2HE LYS 8 -1.124 8.986 -4.183 66 2HE LYS 8 1HE LYS 8 -0.525 8.465 -2.609 67 1HZ LYS 8 1HZ LYS 8 -3.404 8.396 -3.222 68 2HZ LYS 8 3HZ LYS 8 -2.386 7.126 -3.697 69 3HZ LYS 8 2HZ LYS 8 -2.538 7.518 -2.054 70 H LEU 9 H LEU 9 -3.622 9.876 -5.921 71 HA LEU 9 HA LEU 9 -1.421 7.973 -5.988 72 1HB LEU 9 2HB LEU 9 -3.693 7.391 -5.147 73 2HB LEU 9 1HB LEU 9 -4.335 7.628 -6.768 74 HG LEU 9 HG LEU 9 -2.617 5.892 -7.538 75 1HD1 LEU 9 2HD1 LEU 9 -1.225 5.961 -5.489 76 2HD1 LEU 9 1HD1 LEU 9 -2.583 5.332 -4.555 77 3HD1 LEU 9 3HD1 LEU 9 -1.831 4.333 -5.797 78 1HD2 LEU 9 2HD2 LEU 9 -5.147 5.583 -7.061 79 2HD2 LEU 9 1HD2 LEU 9 -4.146 4.135 -7.167 80 3HD2 LEU 9 3HD2 LEU 9 -4.622 4.763 -5.589 81 H TRP 10 H TRP 10 -3.254 9.789 -8.361 82 HA TRP 10 HA TRP 10 -2.599 8.170 -10.651 83 1HB TRP 10 2HB TRP 10 -3.671 10.910 -10.172 84 2HB TRP 10 1HB TRP 10 -2.990 10.583 -11.761 85 HD1 TRP 10 HD1 TRP 10 -5.516 10.868 -12.679 86 HE1 TRP 10 HE1 TRP 10 -7.432 9.157 -12.862 87 HE3 TRP 10 HE3 TRP 10 -3.846 7.280 -9.423 88 HZ2 TRP 10 HZ2 TRP 10 -8.164 6.622 -11.786 89 HZ3 TRP 10 HZ3 TRP 10 -5.178 5.235 -9.030 90 HH2 TRP 10 HH2 TRP 10 -7.333 4.901 -10.205 91 H SER 11 H SER 11 -0.643 10.273 -8.754 92 HA SER 11 HA SER 11 1.183 10.866 -11.014 93 1HB SER 11 2HB SER 11 0.478 12.461 -9.019 94 2HB SER 11 1HB SER 11 1.787 11.631 -8.184 95 HG SER 11 HG SER 11 3.209 12.440 -9.581 96 H MET 12 H MET 12 1.454 9.425 -7.742 97 HA MET 12 HA MET 12 4.112 8.438 -8.141 98 1HB MET 12 2HB MET 12 3.687 7.068 -6.132 99 2HB MET 12 1HB MET 12 3.130 8.725 -5.903 100 1HG MET 12 2HG MET 12 0.830 7.850 -6.716 101 2HG MET 12 1HG MET 12 1.486 6.245 -6.403 102 1HE MET 12 2HE MET 12 2.211 5.318 -4.473 103 2HE MET 12 1HE MET 12 3.279 6.491 -3.707 104 3HE MET 12 3HE MET 12 1.908 5.820 -2.813 105 H VAL 13 H VAL 13 0.945 7.006 -8.804 106 HA VAL 13 HA VAL 13 2.150 4.406 -9.489 107 HB VAL 13 HB VAL 13 -0.706 5.239 -10.041 108 1HG1 VAL 13 3HG1 VAL 13 0.572 2.974 -10.727 109 2HG1 VAL 13 2HG1 VAL 13 0.120 2.539 -9.080 110 3HG1 VAL 13 1HG1 VAL 13 -1.125 2.987 -10.248 111 1HG2 VAL 13 3HG2 VAL 13 -0.093 5.756 -7.658 112 2HG2 VAL 13 2HG2 VAL 13 -1.300 4.482 -7.805 113 3HG2 VAL 13 1HG2 VAL 13 0.377 4.071 -7.458 114 H ASN 14 H ASN 14 1.937 7.334 -11.103 115 HA ASN 14 HA ASN 14 1.106 6.505 -13.719 116 1HB ASN 14 2HB ASN 14 1.823 8.902 -12.523 117 2HB ASN 14 1HB ASN 14 3.134 8.629 -13.669 118 1HD2 ASN 14 2HD2 ASN 14 -0.162 10.151 -15.144 119 2HD2 ASN 14 1HD2 ASN 14 0.439 10.357 -13.570 120 H ASP 15 H ASP 15 4.048 6.004 -11.945 121 HA ASP 15 HA ASP 15 5.951 4.753 -12.501 122 1HB ASP 15 2HB ASP 15 4.864 4.249 -15.267 123 2HB ASP 15 1HB ASP 15 5.884 3.212 -14.273 124 H LYS 16 H LYS 16 5.791 7.589 -12.952 125 HA LYS 16 HA LYS 16 7.257 8.031 -15.483 126 1HB LYS 16 2HB LYS 16 5.424 9.590 -14.520 127 2HB LYS 16 1HB LYS 16 6.671 10.131 -13.396 128 1HG LYS 16 2HG LYS 16 8.099 10.837 -15.217 129 2HG LYS 16 1HG LYS 16 7.013 10.120 -16.408 130 1HD LYS 16 2HD LYS 16 6.067 12.262 -14.501 131 2HD LYS 16 1HD LYS 16 6.831 12.667 -16.038 132 1HE LYS 16 2HE LYS 16 5.032 10.811 -16.873 133 2HE LYS 16 1HE LYS 16 4.159 11.501 -15.506 134 1HZ LYS 16 2HZ LYS 16 4.882 13.732 -16.550 135 2HZ LYS 16 1HZ LYS 16 5.093 12.817 -17.966 136 3HZ LYS 16 3HZ LYS 16 3.570 12.889 -17.225 137 H SER 17 H SER 17 7.768 8.782 -12.014 138 HA SER 17 HA SER 17 10.689 8.953 -12.518 139 1HB SER 17 2HB SER 17 8.828 9.905 -10.400 140 2HB SER 17 1HB SER 17 10.449 9.460 -9.873 141 HG SER 17 HG SER 17 10.705 11.509 -10.504 142 H ASN 18 H ASN 18 8.382 7.218 -10.432 143 HA ASN 18 HA ASN 18 10.516 5.274 -9.709 144 1HB ASN 18 2HB ASN 18 8.788 4.424 -8.086 145 2HB ASN 18 1HB ASN 18 9.219 6.115 -7.828 146 1HD2 ASN 18 2HD2 ASN 18 5.892 7.172 -8.230 147 2HD2 ASN 18 1HD2 ASN 18 7.427 7.448 -7.558 148 H GLU 19 H GLU 19 9.832 5.094 -12.344 149 HA GLU 19 HA GLU 19 7.638 3.335 -12.913 150 1HB GLU 19 2HB GLU 19 8.587 3.170 -15.127 151 2HB GLU 19 1HB GLU 19 8.838 4.817 -14.566 152 1HG GLU 19 2HG GLU 19 11.148 4.155 -13.833 153 2HG GLU 19 1HG GLU 19 10.890 2.591 -14.608 154 H LYS 20 H LYS 20 10.856 2.757 -11.710 155 HA LYS 20 HA LYS 20 10.726 -0.123 -12.364 156 1HB LYS 20 2HB LYS 20 12.811 1.769 -11.924 157 2HB LYS 20 1HB LYS 20 12.954 0.543 -10.667 158 1HG LYS 20 2HG LYS 20 12.413 -0.493 -13.391 159 2HG LYS 20 1HG LYS 20 13.988 0.266 -13.171 160 1HD LYS 20 2HD LYS 20 14.707 -1.332 -11.682 161 2HD LYS 20 1HD LYS 20 13.086 -1.625 -11.051 162 1HE LYS 20 2HE LYS 20 13.822 -2.402 -13.869 163 2HE LYS 20 1HE LYS 20 14.158 -3.476 -12.511 164 1HZ LYS 20 3HZ LYS 20 11.479 -2.303 -12.957 165 2HZ LYS 20 2HZ LYS 20 11.951 -3.762 -13.688 166 3HZ LYS 20 1HZ LYS 20 11.897 -3.635 -11.994 167 H PHE 21 H PHE 21 9.616 1.844 -9.835 168 HA PHE 21 HA PHE 21 9.926 -0.368 -7.855 169 1HB PHE 21 2HB PHE 21 9.378 2.589 -7.522 170 2HB PHE 21 1HB PHE 21 9.215 1.433 -6.198 171 HD1 PHE 21 HD1 PHE 21 11.240 -0.071 -5.664 172 HD2 PHE 21 HD2 PHE 21 11.498 3.464 -8.092 173 HE1 PHE 21 HE1 PHE 21 13.692 0.003 -5.295 174 HE2 PHE 21 HE2 PHE 21 13.950 3.537 -7.722 175 HZ PHE 21 HZ PHE 21 15.047 1.805 -6.325 176 H ILE 22 H ILE 22 7.611 1.149 -9.897 177 HA ILE 22 HA ILE 22 5.500 -0.601 -8.918 178 HB ILE 22 HB ILE 22 5.353 1.221 -7.252 179 1HG1 ILE 22 2HG1 ILE 22 3.073 1.524 -9.220 180 2HG1 ILE 22 1HG1 ILE 22 3.287 0.071 -8.246 181 1HG2 ILE 22 2HG2 ILE 22 6.336 2.962 -8.814 182 2HG2 ILE 22 1HG2 ILE 22 4.753 3.054 -9.586 183 3HG2 ILE 22 3HG2 ILE 22 4.933 3.500 -7.889 184 1HD1 ILE 22 3HD1 ILE 22 3.472 2.570 -6.700 185 2HD1 ILE 22 2HD1 ILE 22 1.894 2.305 -7.443 186 3HD1 ILE 22 1HD1 ILE 22 2.569 1.094 -6.353 187 H HIS 23 H HIS 23 4.069 -0.996 -10.590 188 HA HIS 23 HA HIS 23 3.652 0.968 -12.701 189 1HB HIS 23 2HB HIS 23 4.359 -0.854 -14.470 190 2HB HIS 23 1HB HIS 23 5.562 0.235 -13.791 191 HD1 HIS 23 HD1 HIS 23 7.185 -0.755 -11.978 192 HD2 HIS 23 HD2 HIS 23 4.667 -3.568 -13.745 193 HE1 HIS 23 HE1 HIS 23 8.120 -3.031 -11.377 194 H TRP 24 H TRP 24 1.914 0.446 -14.074 195 HA TRP 24 HA TRP 24 -0.176 -1.099 -12.891 196 1HB TRP 24 2HB TRP 24 0.228 0.049 -15.661 197 2HB TRP 24 1HB TRP 24 -1.231 -0.835 -15.221 198 HD1 TRP 24 HD1 TRP 24 0.766 1.781 -13.176 199 HE1 TRP 24 HE1 TRP 24 -0.867 3.644 -12.461 200 HE3 TRP 24 HE3 TRP 24 -3.480 0.178 -15.514 201 HZ2 TRP 24 HZ2 TRP 24 -3.612 4.358 -12.830 202 HZ3 TRP 24 HZ3 TRP 24 -5.587 1.466 -15.317 203 HH2 TRP 24 HH2 TRP 24 -5.660 3.552 -13.980 204 H SER 25 H SER 25 -1.084 -3.128 -13.608 205 HA SER 25 HA SER 25 0.865 -5.121 -14.357 206 1HB SER 25 2HB SER 25 -2.135 -5.438 -14.569 207 2HB SER 25 1HB SER 25 -0.932 -6.684 -14.246 208 HG SER 25 HG SER 25 -1.917 -6.074 -12.321 209 H THR 26 H THR 26 0.470 -6.577 -16.349 210 HA THR 26 HA THR 26 0.657 -5.023 -18.741 211 HB THR 26 HB THR 26 -0.160 -7.937 -18.611 212 HG1 THR 26 HG1 THR 26 1.847 -8.423 -18.119 213 1HG2 THR 26 3HG2 THR 26 1.348 -6.248 -20.624 214 2HG2 THR 26 2HG2 THR 26 1.200 -8.003 -20.723 215 3HG2 THR 26 1HG2 THR 26 -0.238 -6.987 -20.839 216 H SER 27 H SER 27 -0.893 -4.519 -20.316 217 HA SER 27 HA SER 27 -3.037 -4.073 -21.172 218 1HB SER 27 2HB SER 27 -3.044 -6.734 -20.770 219 2HB SER 27 1HB SER 27 -4.275 -6.282 -19.595 220 HG SER 27 HG SER 27 -5.306 -6.569 -21.530 221 H GLY 28 H GLY 28 -2.091 -3.077 -18.479 222 1HA GLY 28 2HA GLY 28 -2.959 -1.744 -16.762 223 2HA GLY 28 1HA GLY 28 -4.443 -1.655 -17.710 224 H GLU 29 H GLU 29 -5.705 -1.859 -15.777 225 HA GLU 29 HA GLU 29 -7.044 -3.084 -14.313 226 1HB GLU 29 2HB GLU 29 -5.766 -5.578 -15.470 227 2HB GLU 29 1HB GLU 29 -7.305 -5.458 -14.623 228 1HG GLU 29 2HG GLU 29 -7.017 -3.722 -17.015 229 2HG GLU 29 1HG GLU 29 -7.099 -5.455 -17.324 230 H SER 30 H SER 30 -6.469 -2.867 -12.249 231 HA SER 30 HA SER 30 -5.371 -3.182 -10.207 232 1HB SER 30 2HB SER 30 -4.254 -5.682 -11.495 233 2HB SER 30 1HB SER 30 -4.442 -5.364 -9.772 234 HG SER 30 HG SER 30 -6.494 -5.617 -11.724 235 H ILE 31 H ILE 31 -3.222 -3.216 -9.185 236 HA ILE 31 HA ILE 31 -1.083 -2.272 -11.057 237 HB ILE 31 HB ILE 31 -1.488 -1.538 -8.139 238 1HG1 ILE 31 2HG1 ILE 31 -1.958 0.196 -10.577 239 2HG1 ILE 31 1HG1 ILE 31 -3.252 -0.701 -9.779 240 1HG2 ILE 31 1HG2 ILE 31 0.420 -0.584 -10.290 241 2HG2 ILE 31 3HG2 ILE 31 0.161 0.279 -8.775 242 3HG2 ILE 31 2HG2 ILE 31 0.833 -1.351 -8.757 243 1HD1 ILE 31 3HD1 ILE 31 -2.479 0.443 -7.608 244 2HD1 ILE 31 2HD1 ILE 31 -1.557 1.530 -8.648 245 3HD1 ILE 31 1HD1 ILE 31 -3.313 1.456 -8.787 246 H VAL 32 H VAL 32 1.171 -2.736 -10.220 247 HA VAL 32 HA VAL 32 1.217 -5.281 -8.640 248 HB VAL 32 HB VAL 32 3.070 -4.501 -10.910 249 1HG1 VAL 32 3HG1 VAL 32 3.951 -6.029 -9.077 250 2HG1 VAL 32 2HG1 VAL 32 2.706 -7.185 -9.553 251 3HG1 VAL 32 1HG1 VAL 32 3.963 -6.720 -10.700 252 1HG2 VAL 32 2HG2 VAL 32 0.638 -5.019 -11.512 253 2HG2 VAL 32 1HG2 VAL 32 1.857 -6.029 -12.287 254 3HG2 VAL 32 3HG2 VAL 32 0.941 -6.650 -10.914 255 H VAL 33 H VAL 33 2.745 -5.415 -7.024 256 HA VAL 33 HA VAL 33 4.571 -3.062 -6.701 257 HB VAL 33 HB VAL 33 3.300 -4.720 -4.499 258 1HG1 VAL 33 2HG1 VAL 33 5.525 -3.734 -3.967 259 2HG1 VAL 33 1HG1 VAL 33 4.898 -2.142 -4.393 260 3HG1 VAL 33 3HG1 VAL 33 4.231 -3.011 -3.011 261 1HG2 VAL 33 1HG2 VAL 33 2.526 -2.161 -5.852 262 2HG2 VAL 33 3HG2 VAL 33 1.496 -3.450 -5.227 263 3HG2 VAL 33 2HG2 VAL 33 2.249 -2.304 -4.116 264 HA PRO 34 HA PRO 34 7.034 -6.924 -6.988 265 1HB PRO 34 2HB PRO 34 9.116 -5.861 -8.424 266 2HB PRO 34 1HB PRO 34 7.678 -6.577 -9.175 267 1HG PRO 34 2HG PRO 34 8.432 -3.711 -8.920 268 2HG PRO 34 1HG PRO 34 7.406 -4.501 -10.129 269 1HD PRO 34 2HD PRO 34 6.503 -2.992 -7.913 270 2HD PRO 34 1HD PRO 34 5.507 -4.038 -8.945 271 H ASN 35 H ASN 35 7.873 -3.585 -6.238 272 HA ASN 35 HA ASN 35 9.842 -4.594 -4.223 273 1HB ASN 35 2HB ASN 35 9.986 -2.337 -6.164 274 2HB ASN 35 1HB ASN 35 10.645 -2.042 -4.556 275 1HD2 ASN 35 2HD2 ASN 35 13.333 -3.536 -6.708 276 2HD2 ASN 35 1HD2 ASN 35 12.358 -2.151 -6.823 277 H ARG 36 H ARG 36 7.773 -4.697 -2.910 278 HA ARG 36 HA ARG 36 6.421 -2.239 -2.177 279 1HB ARG 36 2HB ARG 36 5.466 -3.643 -0.333 280 2HB ARG 36 1HB ARG 36 5.263 -4.359 -1.930 281 1HG ARG 36 2HG ARG 36 6.525 -6.154 -1.391 282 2HG ARG 36 1HG ARG 36 7.798 -5.145 -0.704 283 1HD ARG 36 2HD ARG 36 5.278 -5.369 0.865 284 2HD ARG 36 1HD ARG 36 6.305 -6.802 0.804 285 HE ARG 36 HE ARG 36 8.089 -4.805 1.426 286 1HH1 ARG 36 2HH1 ARG 36 5.351 -3.691 2.530 287 2HH1 ARG 36 1HH1 ARG 36 5.538 -4.101 4.202 288 1HH2 ARG 36 1HH2 ARG 36 8.210 -6.241 3.653 289 2HH2 ARG 36 2HH2 ARG 36 7.156 -5.544 4.837 290 H GLU 37 H GLU 37 9.301 -3.852 -1.078 291 HA GLU 37 HA GLU 37 9.384 -2.425 1.484 292 1HB GLU 37 2HB GLU 37 10.329 -4.781 0.966 293 2HB GLU 37 1HB GLU 37 11.685 -3.918 0.243 294 1HG GLU 37 2HG GLU 37 12.579 -3.657 2.292 295 2HG GLU 37 1HG GLU 37 11.193 -2.667 2.746 296 H ARG 38 H ARG 38 11.476 -2.436 -1.440 297 HA ARG 38 HA ARG 38 12.966 -0.121 -0.563 298 1HB ARG 38 2HB ARG 38 13.373 -2.041 -2.455 299 2HB ARG 38 1HB ARG 38 12.888 -0.682 -3.466 300 1HG ARG 38 2HG ARG 38 14.877 0.338 -3.168 301 2HG ARG 38 1HG ARG 38 14.735 0.215 -1.416 302 1HD ARG 38 2HD ARG 38 16.279 -1.417 -1.380 303 2HD ARG 38 1HD ARG 38 15.314 -2.395 -2.482 304 HE ARG 38 HE ARG 38 17.651 -0.857 -3.208 305 1HH1 ARG 38 2HH1 ARG 38 16.264 0.598 -5.087 306 2HH1 ARG 38 1HH1 ARG 38 15.908 -0.477 -6.397 307 1HH2 ARG 38 1HH2 ARG 38 16.453 -3.351 -4.535 308 2HH2 ARG 38 2HH2 ARG 38 16.014 -2.713 -6.084 309 H PHE 39 H PHE 39 9.976 -0.521 -2.310 310 HA PHE 39 HA PHE 39 9.864 1.935 -3.726 311 1HB PHE 39 2HB PHE 39 8.168 0.345 -4.202 312 2HB PHE 39 1HB PHE 39 7.752 0.148 -2.503 313 HD1 PHE 39 HD2 PHE 39 6.472 1.889 -1.312 314 HD2 PHE 39 HD1 PHE 39 7.259 2.170 -5.523 315 HE1 PHE 39 HE2 PHE 39 4.710 3.621 -1.526 316 HE2 PHE 39 HE1 PHE 39 5.498 3.903 -5.740 317 HZ PHE 39 HZ PHE 39 4.225 4.628 -3.739 318 H VAL 40 H VAL 40 8.787 1.199 -0.395 319 HA VAL 40 HA VAL 40 7.861 3.804 0.256 320 HB VAL 40 HB VAL 40 9.137 1.753 2.096 321 1HG1 VAL 40 3HG1 VAL 40 8.353 4.383 2.645 322 2HG1 VAL 40 2HG1 VAL 40 6.986 3.407 3.183 323 3HG1 VAL 40 1HG1 VAL 40 8.597 3.101 3.828 324 1HG2 VAL 40 2HG2 VAL 40 6.253 2.174 1.249 325 2HG2 VAL 40 1HG2 VAL 40 7.271 0.797 0.829 326 3HG2 VAL 40 3HG2 VAL 40 6.783 1.053 2.503 327 H GLN 41 H GLN 41 11.091 2.349 0.660 328 HA GLN 41 HA GLN 41 12.247 4.693 1.885 329 1HB GLN 41 2HB GLN 41 13.644 2.428 0.441 330 2HB GLN 41 1HB GLN 41 14.384 3.561 1.570 331 1HG GLN 41 2HG GLN 41 12.632 2.758 3.272 332 2HG GLN 41 1HG GLN 41 12.326 1.427 2.154 333 1HE2 GLN 41 2HE2 GLN 41 15.165 -0.365 3.188 334 2HE2 GLN 41 1HE2 GLN 41 13.678 -0.366 2.370 335 H GLU 42 H GLU 42 11.472 4.031 -1.413 336 HA GLU 42 HA GLU 42 13.215 6.333 -2.203 337 1HB GLU 42 2HB GLU 42 12.753 3.758 -3.725 338 2HB GLU 42 1HB GLU 42 13.514 5.188 -4.421 339 1HG GLU 42 2HG GLU 42 14.523 3.912 -1.874 340 2HG GLU 42 1HG GLU 42 15.098 3.414 -3.464 341 H VAL 43 H VAL 43 10.176 5.867 -1.641 342 HA VAL 43 HA VAL 43 9.304 7.520 -3.924 343 HB VAL 43 HB VAL 43 7.897 4.895 -3.319 344 1HG1 VAL 43 3HG1 VAL 43 7.295 7.284 -4.997 345 2HG1 VAL 43 2HG1 VAL 43 6.949 5.706 -5.707 346 3HG1 VAL 43 1HG1 VAL 43 6.192 6.174 -4.185 347 1HG2 VAL 43 2HG2 VAL 43 9.711 5.747 -5.596 348 2HG2 VAL 43 1HG2 VAL 43 9.977 4.423 -4.462 349 3HG2 VAL 43 3HG2 VAL 43 8.679 4.318 -5.651 350 H LEU 44 H LEU 44 8.490 6.022 -0.792 351 HA LEU 44 HA LEU 44 6.016 7.373 -0.410 352 1HB LEU 44 2HB LEU 44 6.876 5.449 0.965 353 2HB LEU 44 1HB LEU 44 7.963 6.577 1.768 354 HG LEU 44 HG LEU 44 6.061 7.900 2.563 355 1HD1 LEU 44 2HD1 LEU 44 4.487 5.936 0.892 356 2HD1 LEU 44 1HD1 LEU 44 3.738 6.798 2.238 357 3HD1 LEU 44 3HD1 LEU 44 4.410 7.698 0.878 358 1HD2 LEU 44 2HD2 LEU 44 6.821 5.978 3.918 359 2HD2 LEU 44 1HD2 LEU 44 5.085 6.230 4.093 360 3HD2 LEU 44 3HD2 LEU 44 5.688 4.931 3.064 361 HA PRO 45 HA PRO 45 8.364 10.790 1.909 362 1HB PRO 45 2HB PRO 45 11.034 11.151 1.396 363 2HB PRO 45 1HB PRO 45 10.421 10.208 2.766 364 1HG PRO 45 2HG PRO 45 11.637 9.252 0.222 365 2HG PRO 45 1HG PRO 45 11.614 8.480 1.818 366 1HD PRO 45 2HD PRO 45 9.962 7.798 -0.359 367 2HD PRO 45 1HD PRO 45 9.721 7.312 1.328 368 H LYS 46 H LYS 46 9.387 9.842 -1.313 369 HA LYS 46 HA LYS 46 9.963 12.427 -2.371 370 1HB LYS 46 2HB LYS 46 9.483 9.719 -3.409 371 2HB LYS 46 1HB LYS 46 8.987 10.992 -4.521 372 1HG LYS 46 2HG LYS 46 11.690 10.945 -3.158 373 2HG LYS 46 1HG LYS 46 11.399 10.259 -4.757 374 1HD LYS 46 2HD LYS 46 10.554 12.470 -5.522 375 2HD LYS 46 1HD LYS 46 10.952 13.142 -3.941 376 1HE LYS 46 2HE LYS 46 13.072 11.674 -5.474 377 2HE LYS 46 1HE LYS 46 12.681 13.334 -5.926 378 1HZ LYS 46 3HZ LYS 46 13.155 12.651 -3.103 379 2HZ LYS 46 2HZ LYS 46 14.473 12.898 -4.145 380 3HZ LYS 46 1HZ LYS 46 13.344 14.141 -3.890 381 H TYR 47 H TYR 47 6.930 11.022 -1.476 382 HA TYR 47 HA TYR 47 5.533 13.189 -2.999 383 1HB TYR 47 2HB TYR 47 4.689 10.348 -2.434 384 2HB TYR 47 1HB TYR 47 3.526 11.594 -2.888 385 HD1 TYR 47 HD2 TYR 47 6.849 10.228 -3.971 386 HD2 TYR 47 HD1 TYR 47 3.098 11.950 -5.152 387 HE1 TYR 47 HE2 TYR 47 7.470 9.944 -6.355 388 HE2 TYR 47 HE1 TYR 47 3.718 11.667 -7.536 389 HH TYR 47 HH TYR 47 5.696 9.760 -8.710 390 H PHE 48 H PHE 48 6.155 11.878 0.130 391 HA PHE 48 HA PHE 48 4.072 13.701 1.237 392 1HB PHE 48 2HB PHE 48 4.675 10.937 2.326 393 2HB PHE 48 1HB PHE 48 3.452 12.059 2.922 394 HD1 PHE 48 HD1 PHE 48 1.453 12.601 1.537 395 HD2 PHE 48 HD2 PHE 48 4.319 9.637 0.327 396 HE1 PHE 48 HE1 PHE 48 -0.161 11.721 -0.135 397 HE2 PHE 48 HE2 PHE 48 2.711 8.759 -1.339 398 HZ PHE 48 HZ PHE 48 0.476 9.802 -1.570 399 H LYS 49 H LYS 49 4.526 13.629 3.845 400 HA LYS 49 HA LYS 49 7.469 13.910 4.249 401 1HB LYS 49 2HB LYS 49 5.350 15.978 4.498 402 2HB LYS 49 1HB LYS 49 6.539 15.927 5.801 403 1HG LYS 49 2HG LYS 49 8.258 15.772 3.794 404 2HG LYS 49 1HG LYS 49 6.941 16.523 2.893 405 1HD LYS 49 2HD LYS 49 7.919 18.442 3.687 406 2HD LYS 49 1HD LYS 49 6.900 18.089 5.082 407 1HE LYS 49 2HE LYS 49 9.052 16.574 5.704 408 2HE LYS 49 1HE LYS 49 9.848 17.848 4.781 409 1HZ LYS 49 1HZ LYS 49 8.341 19.364 6.259 410 2HZ LYS 49 3HZ LYS 49 8.364 18.027 7.303 411 3HZ LYS 49 2HZ LYS 49 9.820 18.773 6.848 412 H HIS 50 H HIS 50 4.414 14.276 6.089 413 HA HIS 50 HA HIS 50 5.653 12.685 8.283 414 1HB HIS 50 2HB HIS 50 3.282 14.570 8.217 415 2HB HIS 50 1HB HIS 50 3.688 13.579 9.617 416 HD1 HIS 50 HD1 HIS 50 3.887 16.351 10.383 417 HD2 HIS 50 HD2 HIS 50 7.023 14.581 8.283 418 HE1 HIS 50 HE1 HIS 50 5.937 17.768 10.828 419 H SER 51 H SER 51 4.514 11.521 5.789 420 HA SER 51 HA SER 51 2.187 10.038 6.939 421 1HB SER 51 2HB SER 51 3.077 10.317 4.055 422 2HB SER 51 1HB SER 51 1.660 9.427 4.606 423 HG SER 51 HG SER 51 0.801 11.350 4.238 424 H ASN 52 H ASN 52 2.134 7.674 6.402 425 HA ASN 52 HA ASN 52 4.865 6.521 6.040 426 1HB ASN 52 2HB ASN 52 3.078 6.326 8.370 427 2HB ASN 52 1HB ASN 52 3.649 4.763 7.790 428 1HD2 ASN 52 2HD2 ASN 52 7.036 5.348 8.719 429 2HD2 ASN 52 1HD2 ASN 52 5.993 4.376 7.798 430 H PHE 53 H PHE 53 4.773 4.172 5.460 431 HA PHE 53 HA PHE 53 3.076 3.654 3.246 432 1HB PHE 53 2HB PHE 53 5.276 2.504 3.915 433 2HB PHE 53 1HB PHE 53 4.299 1.509 4.989 434 HD1 PHE 53 HD2 PHE 53 3.810 2.821 1.498 435 HD2 PHE 53 HD1 PHE 53 3.942 -0.601 4.093 436 HE1 PHE 53 HE2 PHE 53 3.196 1.354 -0.404 437 HE2 PHE 53 HE1 PHE 53 3.329 -2.068 2.190 438 HZ PHE 53 HZ PHE 53 2.957 -1.089 -0.059 439 H ALA 54 H ALA 54 2.742 2.854 6.667 440 HA ALA 54 HA ALA 54 0.549 1.056 6.511 441 1HB ALA 54 3HB ALA 54 1.731 2.815 8.583 442 2HB ALA 54 2HB ALA 54 0.044 2.371 8.842 443 3HB ALA 54 1HB ALA 54 1.272 1.115 8.677 444 H SER 55 H SER 55 0.632 4.603 6.509 445 HA SER 55 HA SER 55 -2.239 4.937 6.657 446 1HB SER 55 2HB SER 55 -0.420 6.947 5.356 447 2HB SER 55 1HB SER 55 -1.829 7.225 6.375 448 HG SER 55 HG SER 55 -0.336 7.473 7.853 449 H PHE 56 H PHE 56 0.099 4.578 4.044 450 HA PHE 56 HA PHE 56 -1.659 5.282 1.883 451 1HB PHE 56 2HB PHE 56 0.791 5.149 1.628 452 2HB PHE 56 1HB PHE 56 0.739 3.417 1.932 453 HD1 PHE 56 HD2 PHE 56 -1.739 5.324 -0.117 454 HD2 PHE 56 HD1 PHE 56 1.607 2.626 -0.140 455 HE1 PHE 56 HE2 PHE 56 -2.096 4.898 -2.534 456 HE2 PHE 56 HE1 PHE 56 1.250 2.206 -2.557 457 HZ PHE 56 HZ PHE 56 -0.602 3.340 -3.753 458 H VAL 57 H VAL 57 -1.142 2.297 3.686 459 HA VAL 57 HA VAL 57 -2.652 0.627 1.846 460 HB VAL 57 HB VAL 57 -1.980 0.108 4.756 461 1HG1 VAL 57 2HG1 VAL 57 -3.660 -1.301 3.140 462 2HG1 VAL 57 1HG1 VAL 57 -2.122 -2.071 2.750 463 3HG1 VAL 57 3HG1 VAL 57 -2.693 -2.036 4.419 464 1HG2 VAL 57 3HG2 VAL 57 -0.366 0.003 2.246 465 2HG2 VAL 57 2HG2 VAL 57 0.149 0.340 3.899 466 3HG2 VAL 57 1HG2 VAL 57 -0.156 -1.321 3.393 467 H ARG 58 H ARG 58 -3.395 1.881 5.142 468 HA ARG 58 HA ARG 58 -6.059 0.936 5.244 469 1HB ARG 58 2HB ARG 58 -6.443 2.601 6.991 470 2HB ARG 58 1HB ARG 58 -4.851 1.880 7.198 471 1HG ARG 58 2HG ARG 58 -3.989 3.964 7.196 472 2HG ARG 58 1HG ARG 58 -4.430 4.073 5.494 473 1HD ARG 58 2HD ARG 58 -5.656 5.862 6.225 474 2HD ARG 58 1HD ARG 58 -6.832 4.609 6.614 475 HE ARG 58 HE ARG 58 -5.722 4.634 8.947 476 1HH1 ARG 58 1HH2 ARG 58 -3.689 6.692 8.507 477 2HH1 ARG 58 2HH2 ARG 58 -4.482 8.152 8.995 478 1HH2 ARG 58 2HH1 ARG 58 -7.666 6.784 8.843 479 2HH2 ARG 58 1HH1 ARG 58 -6.735 8.204 9.185 480 H GLN 59 H GLN 59 -4.724 3.688 3.536 481 HA GLN 59 HA GLN 59 -7.278 4.999 3.065 482 1HB GLN 59 2HB GLN 59 -4.560 5.225 1.755 483 2HB GLN 59 1HB GLN 59 -5.955 6.150 1.202 484 1HG GLN 59 2HG GLN 59 -5.012 6.172 4.075 485 2HG GLN 59 1HG GLN 59 -4.464 7.345 2.877 486 1HE2 GLN 59 2HE2 GLN 59 -7.616 8.514 4.707 487 2HE2 GLN 59 1HE2 GLN 59 -6.181 7.828 5.301 488 H LEU 60 H LEU 60 -5.171 2.875 1.106 489 HA LEU 60 HA LEU 60 -6.766 2.768 -1.232 490 1HB LEU 60 2HB LEU 60 -4.946 0.717 0.040 491 2HB LEU 60 1HB LEU 60 -5.687 0.479 -1.535 492 HG LEU 60 HG LEU 60 -4.076 2.950 -0.889 493 1HD1 LEU 60 2HD1 LEU 60 -3.187 0.193 -1.570 494 2HD1 LEU 60 1HD1 LEU 60 -2.404 1.509 -2.444 495 3HD1 LEU 60 3HD1 LEU 60 -2.340 1.459 -0.682 496 1HD2 LEU 60 2HD2 LEU 60 -5.751 2.483 -2.946 497 2HD2 LEU 60 1HD2 LEU 60 -4.275 3.428 -3.134 498 3HD2 LEU 60 3HD2 LEU 60 -4.297 1.726 -3.599 499 H ASN 61 H ASN 61 -7.127 1.073 1.834 500 HA ASN 61 HA ASN 61 -9.135 -0.789 0.833 501 1HB ASN 61 2HB ASN 61 -7.701 -0.308 3.321 502 2HB ASN 61 1HB ASN 61 -9.413 -0.595 3.629 503 1HD2 ASN 61 2HD2 ASN 61 -7.045 -3.662 2.420 504 2HD2 ASN 61 1HD2 ASN 61 -6.421 -2.096 2.625 505 H MET 62 H MET 62 -9.220 2.224 2.742 506 HA MET 62 HA MET 62 -12.050 2.248 3.151 507 1HB MET 62 2HB MET 62 -10.034 3.753 4.103 508 2HB MET 62 1HB MET 62 -10.638 4.849 2.860 509 1HG MET 62 2HG MET 62 -12.991 4.129 3.930 510 2HG MET 62 1HG MET 62 -11.972 3.887 5.349 511 1HE MET 62 2HE MET 62 -14.378 5.663 4.765 512 2HE MET 62 1HE MET 62 -14.102 7.398 4.901 513 3HE MET 62 3HE MET 62 -13.967 6.598 3.328 514 H TYR 63 H TYR 63 -10.179 2.932 0.308 515 HA TYR 63 HA TYR 63 -12.356 4.538 -0.887 516 1HB TYR 63 2HB TYR 63 -9.558 3.820 -1.727 517 2HB TYR 63 1HB TYR 63 -10.709 4.455 -2.905 518 HD1 TYR 63 HD2 TYR 63 -12.183 6.510 -1.847 519 HD2 TYR 63 HD1 TYR 63 -8.184 5.417 -0.731 520 HE1 TYR 63 HE2 TYR 63 -11.793 8.806 -0.995 521 HE2 TYR 63 HE1 TYR 63 -7.795 7.709 0.127 522 HH TYR 63 HH TYR 63 -9.728 9.678 1.043 523 H GLY 64 H GLY 64 -10.720 1.408 -1.459 524 1HA GLY 64 2HA GLY 64 -12.854 -0.170 -2.089 525 2HA GLY 64 1HA GLY 64 -12.629 0.730 -3.588 526 H TRP 65 H TRP 65 -9.629 0.816 -3.005 527 HA TRP 65 HA TRP 65 -8.831 -1.371 -4.613 528 1HB TRP 65 2HB TRP 65 -7.284 0.292 -2.613 529 2HB TRP 65 1HB TRP 65 -6.523 -0.893 -3.675 530 HD1 TRP 65 HD1 TRP 65 -7.996 2.568 -3.627 531 HE1 TRP 65 HE1 TRP 65 -7.738 3.651 -5.951 532 HE3 TRP 65 HE3 TRP 65 -6.454 -1.486 -6.327 533 HZ2 TRP 65 HZ2 TRP 65 -6.981 2.901 -8.601 534 HZ3 TRP 65 HZ3 TRP 65 -5.972 -1.271 -8.748 535 HH2 TRP 65 HH2 TRP 65 -6.232 0.916 -9.887 536 H HIS 66 H HIS 66 -9.367 -3.431 -4.012 537 HA HIS 66 HA HIS 66 -8.897 -4.281 -1.200 538 1HB HIS 66 2HB HIS 66 -10.346 -5.623 -3.501 539 2HB HIS 66 1HB HIS 66 -10.169 -6.323 -1.892 540 HD1 HIS 66 HD1 HIS 66 -10.748 -4.001 -0.067 541 HD2 HIS 66 HD2 HIS 66 -12.941 -4.678 -3.547 542 HE1 HIS 66 HE1 HIS 66 -12.966 -2.816 0.240 543 H LYS 67 H LYS 67 -7.245 -5.666 -0.693 544 HA LYS 67 HA LYS 67 -5.283 -6.328 -2.758 545 1HB LYS 67 2HB LYS 67 -5.416 -7.021 0.195 546 2HB LYS 67 1HB LYS 67 -4.048 -7.385 -0.856 547 1HG LYS 67 2HG LYS 67 -3.276 -5.347 -0.208 548 2HG LYS 67 1HG LYS 67 -4.434 -4.718 -1.380 549 1HD LYS 67 2HD LYS 67 -6.044 -4.251 0.283 550 2HD LYS 67 1HD LYS 67 -5.257 -5.300 1.464 551 1HE LYS 67 2HE LYS 67 -4.514 -3.237 2.213 552 2HE LYS 67 1HE LYS 67 -3.223 -3.630 1.078 553 1HZ LYS 67 2HZ LYS 67 -4.809 -2.472 -0.608 554 2HZ LYS 67 1HZ LYS 67 -5.444 -1.732 0.784 555 3HZ LYS 67 3HZ LYS 67 -3.804 -1.539 0.397 556 H VAL 68 H VAL 68 -4.451 -8.644 -2.888 557 HA VAL 68 HA VAL 68 -6.678 -10.615 -2.578 558 HB VAL 68 HB VAL 68 -5.974 -11.629 -4.746 559 1HG1 VAL 68 2HG1 VAL 68 -6.759 -8.700 -4.819 560 2HG1 VAL 68 1HG1 VAL 68 -6.889 -9.803 -6.189 561 3HG1 VAL 68 3HG1 VAL 68 -7.854 -10.080 -4.739 562 1HG2 VAL 68 1HG2 VAL 68 -4.122 -9.235 -4.744 563 2HG2 VAL 68 3HG2 VAL 68 -3.704 -10.933 -4.970 564 3HG2 VAL 68 2HG2 VAL 68 -4.577 -10.063 -6.231 565 H GLN 69 H GLN 69 -6.041 -12.411 -1.493 566 HA GLN 69 HA GLN 69 -3.147 -12.760 -0.956 567 1HB GLN 69 2HB GLN 69 -3.836 -14.258 0.845 568 2HB GLN 69 1HB GLN 69 -4.726 -12.744 0.963 569 1HG GLN 69 2HG GLN 69 -6.512 -14.028 -0.504 570 2HG GLN 69 1HG GLN 69 -5.708 -15.458 0.143 571 1HE2 GLN 69 2HE2 GLN 69 -8.047 -13.181 2.577 572 2HE2 GLN 69 1HE2 GLN 69 -7.741 -12.706 0.977 573 H ASP 70 H ASP 70 -3.774 -13.399 -3.558 574 HA ASP 70 HA ASP 70 -3.527 -15.115 -5.134 575 1HB ASP 70 2HB ASP 70 -1.679 -15.622 -3.262 576 2HB ASP 70 1HB ASP 70 -2.676 -17.058 -3.033 577 H VAL 71 H VAL 71 -6.020 -15.008 -4.943 578 HA VAL 71 HA VAL 71 -7.016 -17.689 -4.066 579 HB VAL 71 HB VAL 71 -9.250 -16.558 -3.764 580 1HG1 VAL 71 3HG1 VAL 71 -6.805 -15.973 -2.144 581 2HG1 VAL 71 2HG1 VAL 71 -8.302 -15.149 -1.710 582 3HG1 VAL 71 1HG1 VAL 71 -8.235 -16.911 -1.716 583 1HG2 VAL 71 2HG2 VAL 71 -8.195 -14.517 -5.197 584 2HG2 VAL 71 1HG2 VAL 71 -9.529 -14.297 -4.064 585 3HG2 VAL 71 3HG2 VAL 71 -7.878 -13.924 -3.567 586 H LYS 72 H LYS 72 -6.194 -18.097 -6.382 587 HA LYS 72 HA LYS 72 -8.314 -17.361 -8.360 588 1HB LYS 72 2HB LYS 72 -5.453 -18.225 -8.878 589 2HB LYS 72 1HB LYS 72 -6.629 -17.745 -10.102 590 1HG LYS 72 2HG LYS 72 -6.491 -15.509 -9.563 591 2HG LYS 72 1HG LYS 72 -6.124 -15.831 -7.869 592 1HD LYS 72 2HD LYS 72 -3.898 -15.748 -8.241 593 2HD LYS 72 1HD LYS 72 -4.018 -16.846 -9.616 594 1HE LYS 72 2HE LYS 72 -3.215 -14.832 -10.556 595 2HE LYS 72 1HE LYS 72 -4.942 -14.813 -10.915 596 1HZ LYS 72 1HZ LYS 72 -3.957 -13.599 -8.424 597 2HZ LYS 72 3HZ LYS 72 -3.826 -12.739 -9.880 598 3HZ LYS 72 2HZ LYS 72 -5.352 -13.234 -9.320 599 H SER 73 H SER 73 -5.895 -19.987 -8.006 600 HA SER 73 HA SER 73 -7.603 -21.948 -9.245 601 1HB SER 73 2HB SER 73 -5.124 -22.154 -9.151 602 2HB SER 73 1HB SER 73 -5.225 -22.385 -7.407 603 HG SER 73 HG SER 73 -5.593 -24.399 -7.837 604 H GLY 74 H GLY 74 -6.799 -21.234 -5.843 605 1HA GLY 74 2HA GLY 74 -8.691 -21.381 -4.217 606 2HA GLY 74 1HA GLY 74 -9.201 -22.841 -5.064 607 H SER 75 H SER 75 -5.841 -22.064 -4.292 608 HA SER 75 HA SER 75 -5.887 -24.117 -2.143 609 1HB SER 75 2HB SER 75 -3.999 -24.108 -4.514 610 2HB SER 75 1HB SER 75 -3.798 -25.125 -3.091 611 HG SER 75 HG SER 75 -4.964 -26.058 -4.943 612 H MET 76 H MET 76 -2.734 -23.104 -3.241 613 HA MET 76 HA MET 76 -2.419 -20.606 -1.981 614 1HB MET 76 2HB MET 76 -2.966 -22.542 -0.044 615 2HB MET 76 1HB MET 76 -1.210 -22.418 -0.010 616 1HG MET 76 2HG MET 76 -3.045 -20.012 0.090 617 2HG MET 76 1HG MET 76 -2.403 -20.805 1.529 618 1HE MET 76 1HE MET 76 -1.467 -19.320 2.538 619 2HE MET 76 3HE MET 76 0.247 -18.912 2.375 620 3HE MET 76 2HE MET 76 -0.985 -17.807 1.774 621 H LEU 77 H LEU 77 -0.720 -20.098 -3.302 622 HA LEU 77 HA LEU 77 1.368 -22.064 -3.932 623 1HB LEU 77 2HB LEU 77 0.682 -19.285 -4.785 624 2HB LEU 77 1HB LEU 77 2.363 -19.794 -4.949 625 HG LEU 77 HG LEU 77 1.305 -21.946 -6.033 626 1HD1 LEU 77 2HD1 LEU 77 -1.030 -20.926 -5.398 627 2HD1 LEU 77 1HD1 LEU 77 -0.801 -19.964 -6.857 628 3HD1 LEU 77 3HD1 LEU 77 -0.833 -21.723 -6.958 629 1HD2 LEU 77 2HD2 LEU 77 1.830 -19.234 -7.164 630 2HD2 LEU 77 1HD2 LEU 77 2.638 -20.764 -7.499 631 3HD2 LEU 77 3HD2 LEU 77 1.069 -20.417 -8.227 632 H SER 78 H SER 78 3.676 -21.623 -3.447 633 HA SER 78 HA SER 78 3.963 -20.436 -0.746 634 1HB SER 78 2HB SER 78 5.806 -22.162 -2.421 635 2HB SER 78 1HB SER 78 6.258 -21.493 -0.856 636 HG SER 78 HG SER 78 5.101 -23.719 -1.175 637 H ASN 79 H ASN 79 6.534 -20.479 -3.208 638 HA ASN 79 HA ASN 79 7.902 -18.740 -3.984 639 1HB ASN 79 2HB ASN 79 5.383 -18.202 -4.804 640 2HB ASN 79 1HB ASN 79 5.682 -16.769 -3.820 641 1HD2 ASN 79 2HD2 ASN 79 7.688 -15.288 -6.295 642 2HD2 ASN 79 1HD2 ASN 79 6.708 -15.096 -4.922 643 H ASN 80 H ASN 80 8.381 -16.228 -3.472 644 HA ASN 80 HA ASN 80 8.754 -16.116 -0.534 645 1HB ASN 80 2HB ASN 80 9.993 -14.743 -2.899 646 2HB ASN 80 1HB ASN 80 10.088 -13.969 -1.316 647 1HD2 ASN 80 2HD2 ASN 80 12.848 -16.624 -2.019 648 2HD2 ASN 80 1HD2 ASN 80 12.119 -15.567 -3.127 649 H ASP 81 H ASP 81 8.417 -13.887 0.490 650 HA ASP 81 HA ASP 81 5.768 -12.874 -0.372 651 1HB ASP 81 2HB ASP 81 5.853 -11.629 1.821 652 2HB ASP 81 1HB ASP 81 5.939 -13.382 1.984 653 H SER 82 H SER 82 6.481 -11.673 -2.235 654 HA SER 82 HA SER 82 7.330 -8.953 -1.598 655 1HB SER 82 2HB SER 82 9.317 -8.987 -3.087 656 2HB SER 82 1HB SER 82 9.518 -10.064 -1.708 657 HG SER 82 HG SER 82 9.008 -11.796 -3.029 658 H ARG 83 H ARG 83 4.951 -9.809 -2.674 659 HA ARG 83 HA ARG 83 4.948 -8.453 -5.257 660 1HB ARG 83 2HB ARG 83 5.591 -10.814 -5.827 661 2HB ARG 83 1HB ARG 83 4.061 -11.351 -5.134 662 1HG ARG 83 2HG ARG 83 3.652 -9.158 -7.005 663 2HG ARG 83 1HG ARG 83 4.500 -10.499 -7.771 664 1HD ARG 83 2HD ARG 83 2.154 -11.165 -6.050 665 2HD ARG 83 1HD ARG 83 1.829 -10.433 -7.621 666 HE ARG 83 HE ARG 83 3.468 -12.921 -7.346 667 1HH1 ARG 83 1HH2 ARG 83 3.551 -12.134 -10.053 668 2HH1 ARG 83 2HH2 ARG 83 2.101 -12.761 -10.764 669 1HH2 ARG 83 2HH1 ARG 83 0.504 -13.243 -7.724 670 2HH2 ARG 83 1HH1 ARG 83 0.376 -13.390 -9.445 671 H TRP 84 H TRP 84 3.406 -7.038 -4.380 672 HA TRP 84 HA TRP 84 0.889 -8.233 -3.319 673 1HB TRP 84 2HB TRP 84 1.898 -5.370 -3.257 674 2HB TRP 84 1HB TRP 84 0.381 -5.925 -2.555 675 HD1 TRP 84 HD1 TRP 84 4.059 -7.153 -2.347 676 HE1 TRP 84 HE1 TRP 84 4.594 -7.633 0.127 677 HE3 TRP 84 HE3 TRP 84 -0.420 -5.925 -0.221 678 HZ2 TRP 84 HZ2 TRP 84 3.293 -7.516 2.673 679 HZ3 TRP 84 HZ3 TRP 84 -0.744 -6.119 2.227 680 HH2 TRP 84 HH2 TRP 84 1.105 -6.912 3.677 681 H GLU 85 H GLU 85 -0.893 -8.248 -4.611 682 HA GLU 85 HA GLU 85 -0.813 -6.596 -7.103 683 1HB GLU 85 2HB GLU 85 -2.304 -9.165 -6.472 684 2HB GLU 85 1HB GLU 85 -2.477 -8.258 -7.974 685 1HG GLU 85 2HG GLU 85 0.267 -9.048 -7.056 686 2HG GLU 85 1HG GLU 85 -0.759 -10.253 -7.832 687 H PHE 86 H PHE 86 -1.968 -4.747 -6.710 688 HA PHE 86 HA PHE 86 -4.248 -4.729 -4.872 689 1HB PHE 86 2HB PHE 86 -3.241 -2.578 -6.764 690 2HB PHE 86 1HB PHE 86 -4.429 -2.347 -5.483 691 HD1 PHE 86 HD2 PHE 86 -3.308 -3.906 -3.249 692 HD2 PHE 86 HD1 PHE 86 -1.333 -1.390 -6.119 693 HE1 PHE 86 HE2 PHE 86 -1.469 -3.503 -1.634 694 HE2 PHE 86 HE1 PHE 86 0.502 -0.986 -4.501 695 HZ PHE 86 HZ PHE 86 0.433 -2.042 -2.259 696 H GLU 87 H GLU 87 -6.066 -5.743 -5.602 697 HA GLU 87 HA GLU 87 -6.844 -5.427 -8.458 698 1HB GLU 87 2HB GLU 87 -6.805 -7.709 -7.246 699 2HB GLU 87 1HB GLU 87 -8.253 -7.145 -6.410 700 1HG GLU 87 2HG GLU 87 -9.436 -6.866 -8.496 701 2HG GLU 87 1HG GLU 87 -7.970 -7.177 -9.427 702 H ASN 88 H ASN 88 -8.993 -4.693 -8.984 703 HA ASN 88 HA ASN 88 -10.162 -2.938 -6.870 704 1HB ASN 88 2HB ASN 88 -9.345 -2.252 -9.387 705 2HB ASN 88 1HB ASN 88 -11.050 -2.597 -9.675 706 1HD2 ASN 88 2HD2 ASN 88 -11.964 0.546 -8.406 707 2HD2 ASN 88 1HD2 ASN 88 -12.228 -0.688 -9.541 708 H GLU 89 H GLU 89 -12.670 -2.570 -7.527 709 HA GLU 89 HA GLU 89 -13.925 -5.157 -7.090 710 1HB GLU 89 2HB GLU 89 -14.790 -2.313 -7.182 711 2HB GLU 89 1HB GLU 89 -16.024 -3.519 -7.552 712 1HG GLU 89 2HG GLU 89 -15.289 -4.736 -5.437 713 2HG GLU 89 1HG GLU 89 -14.351 -3.297 -5.041 714 H ARG 90 H ARG 90 -14.170 -2.726 -9.710 715 HA ARG 90 HA ARG 90 -14.639 -2.987 -11.988 716 1HB ARG 90 2HB ARG 90 -12.797 -4.709 -11.804 717 2HB ARG 90 1HB ARG 90 -14.047 -5.929 -11.554 718 1HG ARG 90 2HG ARG 90 -13.907 -6.092 -13.836 719 2HG ARG 90 1HG ARG 90 -15.042 -4.743 -13.759 720 1HD ARG 90 2HD ARG 90 -12.765 -3.344 -13.594 721 2HD ARG 90 1HD ARG 90 -12.142 -4.745 -14.467 722 HE ARG 90 HE ARG 90 -14.567 -3.864 -15.711 723 1HH1 ARG 90 1HH2 ARG 90 -11.406 -4.231 -16.390 724 2HH1 ARG 90 2HH2 ARG 90 -11.208 -2.795 -17.337 725 1HH2 ARG 90 2HH1 ARG 90 -14.275 -1.459 -16.427 726 2HH2 ARG 90 1HH1 ARG 90 -12.832 -1.225 -17.357 727 H HIS 91 H HIS 91 -16.558 -3.162 -13.062 728 HA HIS 91 HA HIS 91 -18.502 -5.250 -12.272 729 1HB HIS 91 2HB HIS 91 -20.301 -3.505 -12.003 730 2HB HIS 91 1HB HIS 91 -19.077 -3.470 -10.735 731 HD1 HIS 91 HD1 HIS 91 -20.430 -1.494 -13.598 732 HD2 HIS 91 HD2 HIS 91 -17.266 -1.238 -10.896 733 HE1 HIS 91 HE1 HIS 91 -19.525 0.863 -13.776 734 H ALA 92 HN ALA 92 -17.197 -5.213 -14.659 735 HA ALA 92 HA ALA 92 -17.562 -5.237 -16.976 736 1HB ALA 92 1HB ALA 92 -19.891 -6.066 -15.861 737 2HB ALA 92 3HB ALA 92 -20.455 -4.625 -16.706 738 3HB ALA 92 2HB ALA 92 -19.656 -5.917 -17.603 No H/Q in entry = 738 Start of MODEL 6 Raw file had 756 H/Q atoms Start of MODEL 6 1 1H ALA 1 1H ALA 1 -16.249 11.897 -3.600 2 2H ALA 1 3H ALA 1 -17.239 13.273 -3.684 3 3H ALA 1 2H ALA 1 -17.933 11.723 -3.751 4 HA ALA 1 HA ALA 1 -17.175 11.312 -5.889 5 1HB ALA 1 3HB ALA 1 -18.860 13.335 -5.480 6 2HB ALA 1 2HB ALA 1 -17.532 14.269 -6.169 7 3HB ALA 1 1HB ALA 1 -18.265 12.958 -7.097 8 H ARG 2 H ARG 2 -15.439 13.993 -4.371 9 HA ARG 2 HA ARG 2 -13.273 13.642 -6.405 10 1HB ARG 2 2HB ARG 2 -13.818 16.033 -4.618 11 2HB ARG 2 1HB ARG 2 -12.566 15.923 -5.853 12 1HG ARG 2 2HG ARG 2 -14.904 15.217 -7.212 13 2HG ARG 2 1HG ARG 2 -15.413 16.526 -6.147 14 1HD ARG 2 2HD ARG 2 -12.895 17.271 -7.273 15 2HD ARG 2 1HD ARG 2 -13.921 16.701 -8.588 16 HE ARG 2 HE ARG 2 -15.612 18.366 -7.229 17 1HH1 ARG 2 1HH2 ARG 2 -13.802 18.875 -9.785 18 2HH1 ARG 2 2HH2 ARG 2 -13.255 20.476 -9.412 19 1HH2 ARG 2 2HH1 ARG 2 -14.290 20.342 -6.104 20 2HH2 ARG 2 1HH1 ARG 2 -13.532 21.307 -7.327 21 HA PRO 3 HA PRO 3 -11.645 12.141 -2.405 22 1HB PRO 3 2HB PRO 3 -10.301 9.963 -3.381 23 2HB PRO 3 1HB PRO 3 -11.991 9.909 -2.856 24 1HG PRO 3 2HG PRO 3 -10.890 9.873 -5.615 25 2HG PRO 3 1HG PRO 3 -12.429 9.239 -5.013 26 1HD PRO 3 2HD PRO 3 -12.060 11.667 -6.426 27 2HD PRO 3 1HD PRO 3 -13.527 11.163 -5.568 28 H ALA 4 H ALA 4 -9.916 13.392 -1.880 29 HA ALA 4 HA ALA 4 -7.994 14.369 -3.757 30 1HB ALA 4 3HB ALA 4 -8.697 15.135 -1.290 31 2HB ALA 4 2HB ALA 4 -7.266 14.191 -0.871 32 3HB ALA 4 1HB ALA 4 -7.131 15.554 -1.982 33 H PHE 5 H PHE 5 -8.130 11.419 -1.886 34 HA PHE 5 HA PHE 5 -5.294 10.838 -1.992 35 1HB PHE 5 2HB PHE 5 -6.899 9.782 -0.371 36 2HB PHE 5 1HB PHE 5 -7.592 8.878 -1.718 37 HD1 PHE 5 HD2 PHE 5 -4.395 9.518 0.110 38 HD2 PHE 5 HD1 PHE 5 -6.571 6.897 -2.511 39 HE1 PHE 5 HE2 PHE 5 -2.595 7.822 0.307 40 HE2 PHE 5 HE1 PHE 5 -4.772 5.204 -2.312 41 HZ PHE 5 HZ PHE 5 -2.784 5.666 -0.905 42 H VAL 6 H VAL 6 -8.092 9.837 -3.985 43 HA VAL 6 HA VAL 6 -6.577 8.155 -5.748 44 HB VAL 6 HB VAL 6 -9.108 9.690 -6.389 45 1HG1 VAL 6 2HG1 VAL 6 -7.705 7.302 -7.586 46 2HG1 VAL 6 1HG1 VAL 6 -9.426 7.585 -7.844 47 3HG1 VAL 6 3HG1 VAL 6 -8.246 8.773 -8.393 48 1HG2 VAL 6 3HG2 VAL 6 -8.558 7.246 -4.759 49 2HG2 VAL 6 2HG2 VAL 6 -9.810 8.468 -4.554 50 3HG2 VAL 6 1HG2 VAL 6 -9.985 7.230 -5.794 51 H ASN 7 H ASN 7 -7.346 11.623 -5.801 52 HA ASN 7 HA ASN 7 -6.356 12.206 -8.419 53 1HB ASN 7 2HB ASN 7 -6.322 13.940 -5.923 54 2HB ASN 7 1HB ASN 7 -6.071 14.524 -7.567 55 1HD2 ASN 7 2HD2 ASN 7 -9.633 15.135 -7.059 56 2HD2 ASN 7 1HD2 ASN 7 -8.133 15.821 -6.661 57 H LYS 8 H LYS 8 -4.704 12.465 -5.252 58 HA LYS 8 HA LYS 8 -2.122 12.991 -6.401 59 1HB LYS 8 2HB LYS 8 -1.250 12.484 -4.147 60 2HB LYS 8 1HB LYS 8 -2.651 13.549 -4.061 61 1HG LYS 8 2HG LYS 8 -4.095 11.595 -3.575 62 2HG LYS 8 1HG LYS 8 -2.681 10.545 -3.633 63 1HD LYS 8 2HD LYS 8 -2.901 10.991 -1.336 64 2HD LYS 8 1HD LYS 8 -1.695 12.171 -1.850 65 1HE LYS 8 2HE LYS 8 -3.953 13.588 -2.326 66 2HE LYS 8 1HE LYS 8 -4.502 12.592 -0.976 67 1HZ LYS 8 3HZ LYS 8 -1.896 13.948 -0.826 68 2HZ LYS 8 2HZ LYS 8 -3.317 14.829 -0.521 69 3HZ LYS 8 1HZ LYS 8 -2.933 13.475 0.430 70 H LEU 9 H LEU 9 -3.983 10.096 -6.104 71 HA LEU 9 HA LEU 9 -1.788 8.213 -6.026 72 1HB LEU 9 2HB LEU 9 -4.245 7.762 -5.435 73 2HB LEU 9 1HB LEU 9 -4.538 7.687 -7.172 74 HG LEU 9 HG LEU 9 -2.677 5.960 -7.295 75 1HD1 LEU 9 1HD1 LEU 9 -2.760 6.522 -4.380 76 2HD1 LEU 9 3HD1 LEU 9 -2.636 4.821 -4.830 77 3HD1 LEU 9 2HD1 LEU 9 -1.418 5.970 -5.383 78 1HD2 LEU 9 1HD2 LEU 9 -5.245 5.552 -7.123 79 2HD2 LEU 9 3HD2 LEU 9 -4.165 4.189 -6.831 80 3HD2 LEU 9 2HD2 LEU 9 -4.897 5.041 -5.471 81 H TRP 10 H TRP 10 -3.484 9.961 -8.552 82 HA TRP 10 HA TRP 10 -2.181 8.395 -10.690 83 1HB TRP 10 2HB TRP 10 -3.870 10.893 -10.964 84 2HB TRP 10 1HB TRP 10 -3.481 9.730 -12.226 85 HD1 TRP 10 HD1 TRP 10 -6.426 10.600 -11.003 86 HE1 TRP 10 HE1 TRP 10 -8.022 8.696 -10.340 87 HE3 TRP 10 HE3 TRP 10 -3.084 6.740 -10.489 88 HZ2 TRP 10 HZ2 TRP 10 -7.914 5.929 -9.670 89 HZ3 TRP 10 HZ3 TRP 10 -3.874 4.492 -9.834 90 HH2 TRP 10 HH2 TRP 10 -6.282 4.079 -9.425 91 H SER 11 H SER 11 -0.233 9.411 -9.213 92 HA SER 11 HA SER 11 1.089 11.318 -10.998 93 1HB SER 11 2HB SER 11 0.690 11.928 -8.048 94 2HB SER 11 1HB SER 11 1.708 12.850 -9.151 95 HG SER 11 HG SER 11 -0.482 13.666 -8.810 96 H MET 12 H MET 12 1.188 9.617 -7.878 97 HA MET 12 HA MET 12 4.070 9.104 -8.110 98 1HB MET 12 2HB MET 12 2.982 9.473 -5.889 99 2HB MET 12 1HB MET 12 2.033 8.009 -6.139 100 1HG MET 12 2HG MET 12 3.988 6.627 -6.120 101 2HG MET 12 1HG MET 12 5.056 8.026 -6.219 102 1HE MET 12 3HE MET 12 2.619 6.009 -4.575 103 2HE MET 12 2HE MET 12 3.053 5.964 -2.868 104 3HE MET 12 1HE MET 12 1.905 7.168 -3.445 105 H VAL 13 H VAL 13 1.002 7.476 -8.728 106 HA VAL 13 HA VAL 13 2.355 4.901 -9.267 107 HB VAL 13 HB VAL 13 -0.544 5.556 -9.812 108 1HG1 VAL 13 1HG1 VAL 13 1.162 3.127 -9.605 109 2HG1 VAL 13 3HG1 VAL 13 -0.465 3.004 -8.936 110 3HG1 VAL 13 2HG1 VAL 13 -0.237 3.434 -10.630 111 1HG2 VAL 13 1HG2 VAL 13 0.702 4.642 -7.195 112 2HG2 VAL 13 3HG2 VAL 13 -0.054 6.210 -7.484 113 3HG2 VAL 13 2HG2 VAL 13 -1.029 4.740 -7.519 114 H ASN 14 H ASN 14 2.337 7.649 -10.968 115 HA ASN 14 HA ASN 14 1.240 7.072 -13.513 116 1HB ASN 14 2HB ASN 14 3.032 9.026 -12.365 117 2HB ASN 14 1HB ASN 14 3.655 8.515 -13.933 118 1HD2 ASN 14 2HD2 ASN 14 1.428 10.869 -15.352 119 2HD2 ASN 14 1HD2 ASN 14 3.046 10.421 -15.105 120 H ASP 15 H ASP 15 4.132 5.876 -11.964 121 HA ASP 15 HA ASP 15 5.546 4.114 -12.566 122 1HB ASP 15 2HB ASP 15 3.346 3.229 -13.628 123 2HB ASP 15 1HB ASP 15 4.048 3.760 -15.154 124 H LYS 16 H LYS 16 5.393 7.027 -14.105 125 HA LYS 16 HA LYS 16 7.397 6.390 -16.185 126 1HB LYS 16 2HB LYS 16 5.396 8.290 -16.073 127 2HB LYS 16 1HB LYS 16 6.823 9.234 -15.642 128 1HG LYS 16 2HG LYS 16 7.966 8.563 -17.661 129 2HG LYS 16 1HG LYS 16 6.696 7.404 -18.054 130 1HD LYS 16 2HD LYS 16 5.086 9.203 -18.370 131 2HD LYS 16 1HD LYS 16 6.270 10.398 -17.839 132 1HE LYS 16 2HE LYS 16 7.696 9.239 -19.807 133 2HE LYS 16 1HE LYS 16 6.072 8.948 -20.431 134 1HZ LYS 16 2HZ LYS 16 5.641 11.365 -20.007 135 2HZ LYS 16 1HZ LYS 16 7.309 11.549 -19.738 136 3HZ LYS 16 3HZ LYS 16 6.747 11.035 -21.253 137 H SER 17 H SER 17 7.078 8.133 -13.122 138 HA SER 17 HA SER 17 9.961 8.777 -13.078 139 1HB SER 17 2HB SER 17 9.258 9.648 -10.724 140 2HB SER 17 1HB SER 17 8.678 10.518 -12.141 141 HG SER 17 HG SER 17 6.924 10.138 -10.839 142 H ASN 18 H ASN 18 7.623 6.687 -11.437 143 HA ASN 18 HA ASN 18 9.849 5.362 -9.959 144 1HB ASN 18 2HB ASN 18 6.834 5.188 -9.629 145 2HB ASN 18 1HB ASN 18 8.003 4.303 -8.650 146 1HD2 ASN 18 2HD2 ASN 18 7.043 7.708 -7.139 147 2HD2 ASN 18 1HD2 ASN 18 6.065 6.528 -7.871 148 H GLU 19 H GLU 19 9.805 4.896 -12.679 149 HA GLU 19 HA GLU 19 8.238 2.704 -13.580 150 1HB GLU 19 2HB GLU 19 9.575 4.208 -15.047 151 2HB GLU 19 1HB GLU 19 11.047 3.457 -14.436 152 1HG GLU 19 2HG GLU 19 10.337 1.282 -15.302 153 2HG GLU 19 1HG GLU 19 8.807 1.974 -15.844 154 H LYS 20 H LYS 20 11.277 2.760 -11.751 155 HA LYS 20 HA LYS 20 11.339 -0.216 -11.870 156 1HB LYS 20 2HB LYS 20 13.624 -0.059 -11.006 157 2HB LYS 20 1HB LYS 20 13.442 0.957 -12.433 158 1HG LYS 20 2HG LYS 20 12.820 2.781 -10.557 159 2HG LYS 20 1HG LYS 20 13.860 1.739 -9.589 160 1HD LYS 20 2HD LYS 20 14.652 2.817 -12.305 161 2HD LYS 20 1HD LYS 20 15.077 3.604 -10.784 162 1HE LYS 20 2HE LYS 20 16.048 1.316 -10.085 163 2HE LYS 20 1HE LYS 20 15.942 0.893 -11.794 164 1HZ LYS 20 1HZ LYS 20 17.349 3.285 -10.742 165 2HZ LYS 20 3HZ LYS 20 18.113 1.827 -11.148 166 3HZ LYS 20 2HZ LYS 20 17.334 2.738 -12.350 167 H PHE 21 H PHE 21 9.378 1.214 -10.238 168 HA PHE 21 HA PHE 21 10.054 -0.055 -7.641 169 1HB PHE 21 2HB PHE 21 9.028 2.790 -7.887 170 2HB PHE 21 1HB PHE 21 9.287 1.911 -6.381 171 HD1 PHE 21 HD1 PHE 21 11.711 0.842 -6.123 172 HD2 PHE 21 HD2 PHE 21 10.743 4.156 -8.674 173 HE1 PHE 21 HE1 PHE 21 14.091 1.539 -6.119 174 HE2 PHE 21 HE2 PHE 21 13.122 4.855 -8.672 175 HZ PHE 21 HZ PHE 21 14.797 3.546 -7.393 176 H ILE 22 H ILE 22 7.456 2.018 -8.990 177 HA ILE 22 HA ILE 22 5.537 -0.180 -8.324 178 HB ILE 22 HB ILE 22 5.219 1.826 -6.908 179 1HG1 ILE 22 2HG1 ILE 22 3.024 1.606 -8.990 180 2HG1 ILE 22 1HG1 ILE 22 3.264 0.445 -7.684 181 1HG2 ILE 22 2HG2 ILE 22 4.878 3.220 -9.577 182 2HG2 ILE 22 1HG2 ILE 22 4.414 3.928 -8.030 183 3HG2 ILE 22 3HG2 ILE 22 6.105 3.549 -8.355 184 1HD1 ILE 22 3HD1 ILE 22 3.188 3.273 -6.822 185 2HD1 ILE 22 2HD1 ILE 22 1.672 2.655 -7.482 186 3HD1 ILE 22 1HD1 ILE 22 2.426 1.854 -6.104 187 H HIS 23 H HIS 23 3.620 -0.250 -9.821 188 HA HIS 23 HA HIS 23 3.602 1.172 -12.313 189 1HB HIS 23 2HB HIS 23 4.302 -0.725 -13.793 190 2HB HIS 23 1HB HIS 23 5.623 -0.087 -12.815 191 HD1 HIS 23 HD1 HIS 23 4.227 -3.208 -13.782 192 HD2 HIS 23 HD2 HIS 23 5.716 -1.721 -10.183 193 HE1 HIS 23 HE1 HIS 23 4.771 -5.222 -12.345 194 H TRP 24 H TRP 24 1.909 0.389 -13.746 195 HA TRP 24 HA TRP 24 -0.302 -0.853 -12.297 196 1HB TRP 24 2HB TRP 24 0.059 0.153 -15.128 197 2HB TRP 24 1HB TRP 24 -1.420 -0.644 -14.600 198 HD1 TRP 24 HD1 TRP 24 0.820 2.264 -13.350 199 HE1 TRP 24 HE1 TRP 24 -0.728 4.125 -12.458 200 HE3 TRP 24 HE3 TRP 24 -3.720 0.041 -14.051 201 HZ2 TRP 24 HZ2 TRP 24 -3.527 4.606 -12.098 202 HZ3 TRP 24 HZ3 TRP 24 -5.808 1.218 -13.429 203 HH2 TRP 24 HH2 TRP 24 -5.719 3.496 -12.453 204 H SER 25 H SER 25 -1.545 -2.669 -13.516 205 HA SER 25 HA SER 25 0.367 -4.857 -14.027 206 1HB SER 25 2HB SER 25 -2.390 -4.631 -13.143 207 2HB SER 25 1HB SER 25 -2.260 -5.787 -14.465 208 HG SER 25 HG SER 25 -0.883 -6.988 -13.290 209 H THR 26 H THR 26 -0.428 -6.381 -15.952 210 HA THR 26 HA THR 26 -0.010 -4.936 -18.389 211 HB THR 26 HB THR 26 -1.328 -7.650 -18.241 212 HG1 THR 26 HG1 THR 26 0.663 -8.519 -17.873 213 1HG2 THR 26 3HG2 THR 26 0.429 -6.156 -20.176 214 2HG2 THR 26 2HG2 THR 26 0.340 -7.916 -20.217 215 3HG2 THR 26 1HG2 THR 26 -1.115 -6.954 -20.476 216 H SER 27 H SER 27 -2.964 -6.235 -16.876 217 HA SER 27 HA SER 27 -4.701 -5.403 -19.041 218 1HB SER 27 2HB SER 27 -5.045 -7.113 -16.998 219 2HB SER 27 1HB SER 27 -5.788 -5.686 -16.279 220 HG SER 27 HG SER 27 -6.415 -6.897 -18.774 221 H GLY 28 H GLY 28 -3.398 -3.837 -16.191 222 1HA GLY 28 2HA GLY 28 -3.361 -1.493 -15.785 223 2HA GLY 28 1HA GLY 28 -4.509 -1.275 -17.106 224 H GLU 29 H GLU 29 -4.866 -3.464 -14.340 225 HA GLU 29 HA GLU 29 -6.951 -1.690 -13.192 226 1HB GLU 29 2HB GLU 29 -7.728 -3.672 -14.888 227 2HB GLU 29 1HB GLU 29 -7.714 -4.551 -13.359 228 1HG GLU 29 2HG GLU 29 -9.003 -2.462 -12.446 229 2HG GLU 29 1HG GLU 29 -9.356 -2.158 -14.149 230 H SER 30 H SER 30 -4.248 -2.605 -12.371 231 HA SER 30 HA SER 30 -4.825 -3.189 -9.622 232 1HB SER 30 2HB SER 30 -5.313 -5.433 -10.310 233 2HB SER 30 1HB SER 30 -3.901 -5.484 -11.363 234 HG SER 30 HG SER 30 -3.439 -6.533 -9.426 235 H ILE 31 H ILE 31 -3.016 -2.798 -8.373 236 HA ILE 31 HA ILE 31 -0.634 -1.804 -9.799 237 HB ILE 31 HB ILE 31 -1.269 -1.857 -6.829 238 1HG1 ILE 31 2HG1 ILE 31 -1.513 0.442 -8.794 239 2HG1 ILE 31 1HG1 ILE 31 -2.877 -0.560 -8.301 240 1HG2 ILE 31 3HG2 ILE 31 0.803 -0.365 -8.473 241 2HG2 ILE 31 2HG2 ILE 31 0.458 -0.036 -6.774 242 3HG2 ILE 31 1HG2 ILE 31 1.118 -1.600 -7.254 243 1HD1 ILE 31 2HD1 ILE 31 -1.133 0.741 -6.221 244 2HD1 ILE 31 1HD1 ILE 31 -2.416 1.662 -7.007 245 3HD1 ILE 31 3HD1 ILE 31 -2.810 0.210 -6.087 246 H VAL 32 H VAL 32 1.516 -2.584 -9.268 247 HA VAL 32 HA VAL 32 1.632 -5.216 -7.887 248 HB VAL 32 HB VAL 32 2.863 -4.709 -10.613 249 1HG1 VAL 32 3HG1 VAL 32 4.061 -6.304 -9.096 250 2HG1 VAL 32 2HG1 VAL 32 2.582 -7.260 -8.996 251 3HG1 VAL 32 1HG1 VAL 32 3.414 -7.080 -10.541 252 1HG2 VAL 32 1HG2 VAL 32 0.263 -5.888 -9.727 253 2HG2 VAL 32 3HG2 VAL 32 0.640 -4.980 -11.190 254 3HG2 VAL 32 2HG2 VAL 32 1.105 -6.676 -11.061 255 H VAL 33 H VAL 33 3.340 -5.259 -6.513 256 HA VAL 33 HA VAL 33 5.615 -3.399 -7.067 257 HB VAL 33 HB VAL 33 4.366 -4.006 -4.372 258 1HG1 VAL 33 1HG1 VAL 33 6.852 -2.563 -5.225 259 2HG1 VAL 33 3HG1 VAL 33 5.961 -1.970 -3.824 260 3HG1 VAL 33 2HG1 VAL 33 6.597 -3.616 -3.834 261 1HG2 VAL 33 3HG2 VAL 33 3.126 -2.457 -5.986 262 2HG2 VAL 33 2HG2 VAL 33 3.537 -1.766 -4.415 263 3HG2 VAL 33 1HG2 VAL 33 4.502 -1.365 -5.836 264 HA PRO 34 HA PRO 34 7.325 -7.573 -6.615 265 1HB PRO 34 2HB PRO 34 9.687 -7.068 -7.918 266 2HB PRO 34 1HB PRO 34 8.200 -7.552 -8.749 267 1HG PRO 34 2HG PRO 34 9.500 -4.883 -8.641 268 2HG PRO 34 1HG PRO 34 8.413 -5.556 -9.867 269 1HD PRO 34 2HD PRO 34 7.708 -3.711 -7.833 270 2HD PRO 34 1HD PRO 34 6.590 -4.595 -8.888 271 H ASN 35 H ASN 35 8.669 -4.403 -5.941 272 HA ASN 35 HA ASN 35 10.269 -5.602 -3.717 273 1HB ASN 35 2HB ASN 35 10.987 -3.131 -5.328 274 2HB ASN 35 1HB ASN 35 11.958 -3.878 -4.058 275 1HD2 ASN 35 2HD2 ASN 35 12.769 -5.110 -7.659 276 2HD2 ASN 35 1HD2 ASN 35 12.325 -3.549 -7.161 277 H ARG 36 H ARG 36 8.424 -5.211 -2.328 278 HA ARG 36 HA ARG 36 7.246 -2.580 -2.057 279 1HB ARG 36 2HB ARG 36 6.421 -5.007 -1.324 280 2HB ARG 36 1HB ARG 36 7.182 -4.538 0.195 281 1HG ARG 36 2HG ARG 36 5.527 -2.405 -0.966 282 2HG ARG 36 1HG ARG 36 4.611 -3.861 -0.586 283 1HD ARG 36 2HD ARG 36 6.377 -2.292 1.311 284 2HD ARG 36 1HD ARG 36 4.620 -2.428 1.371 285 HE ARG 36 HE ARG 36 5.557 -5.056 1.512 286 1HH1 ARG 36 1HH2 ARG 36 4.064 -3.457 3.680 287 2HH1 ARG 36 2HH2 ARG 36 5.158 -3.633 5.012 288 1HH2 ARG 36 2HH1 ARG 36 7.802 -4.710 3.043 289 2HH2 ARG 36 1HH1 ARG 36 7.274 -4.342 4.651 290 H GLU 37 H GLU 37 10.166 -3.981 -0.845 291 HA GLU 37 HA GLU 37 10.317 -2.154 1.457 292 1HB GLU 37 2HB GLU 37 12.473 -3.225 1.915 293 2HB GLU 37 1HB GLU 37 11.238 -4.449 1.625 294 1HG GLU 37 2HG GLU 37 12.025 -4.582 -0.763 295 2HG GLU 37 1HG GLU 37 13.344 -3.493 -0.336 296 H ARG 38 H ARG 38 11.419 -2.241 -1.855 297 HA ARG 38 HA ARG 38 13.365 -0.067 -1.391 298 1HB ARG 38 2HB ARG 38 13.205 -2.134 -3.244 299 2HB ARG 38 1HB ARG 38 12.753 -0.717 -4.188 300 1HG ARG 38 2HG ARG 38 14.850 0.158 -4.102 301 2HG ARG 38 1HG ARG 38 15.060 -0.267 -2.405 302 1HD ARG 38 2HD ARG 38 15.066 -2.743 -3.614 303 2HD ARG 38 1HD ARG 38 15.871 -1.741 -4.822 304 HE ARG 38 HE ARG 38 16.800 -1.744 -1.981 305 1HH1 ARG 38 1HH1 ARG 38 19.507 -1.038 -4.488 306 2HH1 ARG 38 2HH1 ARG 38 18.184 -0.033 -3.996 307 1HH2 ARG 38 1HH2 ARG 38 18.124 -3.947 -3.200 308 2HH2 ARG 38 2HH2 ARG 38 19.474 -3.254 -4.037 309 H PHE 39 H PHE 39 10.141 -0.544 -2.741 310 HA PHE 39 HA PHE 39 9.847 1.972 -4.056 311 1HB PHE 39 2HB PHE 39 8.210 0.252 -4.458 312 2HB PHE 39 1HB PHE 39 7.837 0.115 -2.745 313 HD1 PHE 39 HD1 PHE 39 7.464 2.259 -5.754 314 HD2 PHE 39 HD2 PHE 39 6.328 1.649 -1.660 315 HE1 PHE 39 HE1 PHE 39 5.673 3.953 -6.000 316 HE2 PHE 39 HE2 PHE 39 4.539 3.347 -1.905 317 HZ PHE 39 HZ PHE 39 4.210 4.499 -4.076 318 H VAL 40 H VAL 40 8.367 1.113 -0.918 319 HA VAL 40 HA VAL 40 7.707 3.673 -0.051 320 HB VAL 40 HB VAL 40 8.778 1.497 1.763 321 1HG1 VAL 40 2HG1 VAL 40 8.318 3.812 2.699 322 2HG1 VAL 40 1HG1 VAL 40 6.629 3.570 2.253 323 3HG1 VAL 40 3HG1 VAL 40 7.388 2.510 3.440 324 1HG2 VAL 40 3HG2 VAL 40 6.118 1.838 0.374 325 2HG2 VAL 40 2HG2 VAL 40 7.134 0.399 0.456 326 3HG2 VAL 40 1HG2 VAL 40 6.253 0.937 1.884 327 H GLN 41 H GLN 41 10.785 1.991 0.556 328 HA GLN 41 HA GLN 41 12.106 3.834 2.155 329 1HB GLN 41 2HB GLN 41 12.919 1.576 1.253 330 2HB GLN 41 1HB GLN 41 13.494 2.480 -0.147 331 1HG GLN 41 2HG GLN 41 15.367 2.880 1.054 332 2HG GLN 41 1HG GLN 41 14.397 4.003 1.999 333 1HE2 GLN 41 2HE2 GLN 41 14.940 2.084 4.887 334 2HE2 GLN 41 1HE2 GLN 41 14.840 3.619 4.170 335 H GLU 42 H GLU 42 12.171 3.894 -1.453 336 HA GLU 42 HA GLU 42 12.977 6.767 -1.205 337 1HB GLU 42 2HB GLU 42 13.782 4.793 -3.357 338 2HB GLU 42 1HB GLU 42 14.284 6.481 -3.263 339 1HG GLU 42 2HG GLU 42 15.185 5.909 -0.921 340 2HG GLU 42 1HG GLU 42 14.988 4.219 -1.388 341 H VAL 43 H VAL 43 10.226 6.011 -1.386 342 HA VAL 43 HA VAL 43 9.551 7.474 -3.846 343 HB VAL 43 HB VAL 43 8.285 4.756 -3.385 344 1HG1 VAL 43 2HG1 VAL 43 8.080 6.865 -5.551 345 2HG1 VAL 43 1HG1 VAL 43 7.489 5.215 -5.753 346 3HG1 VAL 43 3HG1 VAL 43 6.787 6.257 -4.516 347 1HG2 VAL 43 1HG2 VAL 43 10.423 5.649 -5.348 348 2HG2 VAL 43 3HG2 VAL 43 10.605 4.437 -4.081 349 3HG2 VAL 43 2HG2 VAL 43 9.553 4.121 -5.459 350 H LEU 44 H LEU 44 8.353 5.858 -0.887 351 HA LEU 44 HA LEU 44 5.772 7.099 -0.926 352 1HB LEU 44 2HB LEU 44 6.595 5.159 0.565 353 2HB LEU 44 1HB LEU 44 7.215 6.419 1.628 354 HG LEU 44 HG LEU 44 4.899 7.459 1.557 355 1HD1 LEU 44 1HD1 LEU 44 4.382 4.836 0.148 356 2HD1 LEU 44 3HD1 LEU 44 3.102 5.699 1.001 357 3HD1 LEU 44 2HD1 LEU 44 3.922 6.461 -0.361 358 1HD2 LEU 44 1HD2 LEU 44 5.948 5.691 3.275 359 2HD2 LEU 44 3HD2 LEU 44 4.284 6.255 3.430 360 3HD2 LEU 44 2HD2 LEU 44 4.621 4.700 2.671 361 HA PRO 45 HA PRO 45 7.575 10.506 1.788 362 1HB PRO 45 2HB PRO 45 10.289 10.849 1.938 363 2HB PRO 45 1HB PRO 45 9.361 9.890 3.104 364 1HG PRO 45 2HG PRO 45 11.172 8.964 0.939 365 2HG PRO 45 1HG PRO 45 10.712 8.150 2.443 366 1HD PRO 45 2HD PRO 45 9.678 7.612 -0.142 367 2HD PRO 45 1HD PRO 45 9.049 6.998 1.396 368 H LYS 46 H LYS 46 8.780 9.609 -1.302 369 HA LYS 46 HA LYS 46 10.001 12.055 -2.121 370 1HB LYS 46 2HB LYS 46 9.731 9.590 -3.233 371 2HB LYS 46 1HB LYS 46 8.529 10.488 -4.161 372 1HG LYS 46 2HG LYS 46 11.403 11.368 -3.769 373 2HG LYS 46 1HG LYS 46 10.792 10.554 -5.210 374 1HD LYS 46 2HD LYS 46 9.004 12.459 -5.219 375 2HD LYS 46 1HD LYS 46 10.156 13.306 -4.187 376 1HE LYS 46 2HE LYS 46 11.178 12.034 -6.696 377 2HE LYS 46 1HE LYS 46 10.275 13.544 -6.831 378 1HZ LYS 46 2HZ LYS 46 12.647 13.100 -5.100 379 2HZ LYS 46 1HZ LYS 46 12.646 13.943 -6.575 380 3HZ LYS 46 3HZ LYS 46 11.785 14.556 -5.248 381 H TYR 47 H TYR 47 6.644 11.041 -1.888 382 HA TYR 47 HA TYR 47 5.840 13.662 -3.091 383 1HB TYR 47 2HB TYR 47 4.318 11.041 -2.967 384 2HB TYR 47 1HB TYR 47 3.652 12.558 -3.574 385 HD1 TYR 47 HD2 TYR 47 6.375 10.055 -4.106 386 HD2 TYR 47 HD1 TYR 47 4.117 13.314 -5.776 387 HE1 TYR 47 HE2 TYR 47 7.395 9.630 -6.325 388 HE2 TYR 47 HE1 TYR 47 5.141 12.882 -7.993 389 HH TYR 47 HH TYR 47 7.189 11.830 -8.897 390 H PHE 48 H PHE 48 4.887 11.258 -0.616 391 HA PHE 48 HA PHE 48 3.216 13.228 0.769 392 1HB PHE 48 2HB PHE 48 4.058 10.396 1.421 393 2HB PHE 48 1HB PHE 48 3.046 11.367 2.491 394 HD1 PHE 48 HD1 PHE 48 0.773 12.002 1.853 395 HD2 PHE 48 HD2 PHE 48 3.232 9.627 -0.745 396 HE1 PHE 48 HE1 PHE 48 -1.221 11.421 0.497 397 HE2 PHE 48 HE2 PHE 48 1.238 9.045 -2.101 398 HZ PHE 48 HZ PHE 48 -0.989 9.942 -1.479 399 H LYS 49 H LYS 49 3.624 13.458 3.239 400 HA LYS 49 HA LYS 49 6.539 13.943 3.671 401 1HB LYS 49 2HB LYS 49 4.550 15.832 3.632 402 2HB LYS 49 1HB LYS 49 4.678 15.456 5.342 403 1HG LYS 49 2HG LYS 49 6.481 16.797 5.449 404 2HG LYS 49 1HG LYS 49 7.340 15.629 4.445 405 1HD LYS 49 2HD LYS 49 5.521 17.615 3.123 406 2HD LYS 49 1HD LYS 49 7.116 18.142 3.659 407 1HE LYS 49 2HE LYS 49 7.919 15.944 2.437 408 2HE LYS 49 1HE LYS 49 6.395 16.118 1.566 409 1HZ LYS 49 1HZ LYS 49 7.084 18.463 1.117 410 2HZ LYS 49 3HZ LYS 49 8.615 18.074 1.733 411 3HZ LYS 49 2HZ LYS 49 8.032 17.282 0.347 412 H HIS 50 H HIS 50 3.573 13.607 5.649 413 HA HIS 50 HA HIS 50 5.177 11.970 7.566 414 1HB HIS 50 2HB HIS 50 2.702 13.672 7.884 415 2HB HIS 50 1HB HIS 50 3.169 12.484 9.100 416 HD1 HIS 50 HD1 HIS 50 4.491 13.537 10.922 417 HD2 HIS 50 HD2 HIS 50 5.261 15.348 7.247 418 HE1 HIS 50 HE1 HIS 50 6.191 15.361 11.366 419 H SER 51 H SER 51 4.176 10.779 5.161 420 HA SER 51 HA SER 51 1.977 9.054 6.232 421 1HB SER 51 2HB SER 51 2.737 9.570 3.342 422 2HB SER 51 1HB SER 51 1.395 8.572 3.898 423 HG SER 51 HG SER 51 0.490 10.425 4.835 424 H ASN 52 H ASN 52 2.444 6.934 6.530 425 HA ASN 52 HA ASN 52 5.080 5.946 5.529 426 1HB ASN 52 2HB ASN 52 4.750 4.176 7.355 427 2HB ASN 52 1HB ASN 52 5.068 5.820 7.908 428 1HD2 ASN 52 2HD2 ASN 52 1.815 6.277 9.296 429 2HD2 ASN 52 1HD2 ASN 52 3.211 7.075 8.749 430 H PHE 53 H PHE 53 4.994 3.405 5.294 431 HA PHE 53 HA PHE 53 3.366 2.779 3.082 432 1HB PHE 53 2HB PHE 53 4.029 0.442 3.441 433 2HB PHE 53 1HB PHE 53 5.407 1.513 3.683 434 HD1 PHE 53 HD1 PHE 53 6.218 2.019 5.990 435 HD2 PHE 53 HD2 PHE 53 3.071 -0.814 5.258 436 HE1 PHE 53 HE1 PHE 53 6.492 1.120 8.283 437 HE2 PHE 53 HE2 PHE 53 3.349 -1.715 7.552 438 HZ PHE 53 HZ PHE 53 5.059 -0.747 9.064 439 H ALA 54 H ALA 54 2.796 2.080 6.528 440 HA ALA 54 HA ALA 54 0.444 0.509 6.192 441 1HB ALA 54 3HB ALA 54 1.764 0.814 8.330 442 2HB ALA 54 2HB ALA 54 1.003 2.397 8.495 443 3HB ALA 54 1HB ALA 54 0.015 0.936 8.526 444 H SER 55 H SER 55 0.917 4.018 6.347 445 HA SER 55 HA SER 55 -1.910 4.660 6.404 446 1HB SER 55 2HB SER 55 0.140 6.160 7.016 447 2HB SER 55 1HB SER 55 0.200 6.496 5.287 448 HG SER 55 HG SER 55 -1.466 7.467 7.159 449 H PHE 56 H PHE 56 0.386 3.867 3.896 450 HA PHE 56 HA PHE 56 -1.078 4.988 1.672 451 1HB PHE 56 2HB PHE 56 1.347 4.344 1.617 452 2HB PHE 56 1HB PHE 56 0.860 2.652 1.686 453 HD1 PHE 56 HD2 PHE 56 -0.479 5.612 -0.199 454 HD2 PHE 56 HD1 PHE 56 1.181 1.656 -0.397 455 HE1 PHE 56 HE2 PHE 56 -0.787 5.606 -2.662 456 HE2 PHE 56 HE1 PHE 56 0.873 1.650 -2.858 457 HZ PHE 56 HZ PHE 56 -0.109 3.624 -3.990 458 H VAL 57 H VAL 57 -0.758 1.636 2.866 459 HA VAL 57 HA VAL 57 -2.730 0.540 1.100 460 HB VAL 57 HB VAL 57 -1.862 -0.506 3.816 461 1HG1 VAL 57 2HG1 VAL 57 -3.397 -1.620 1.493 462 2HG1 VAL 57 1HG1 VAL 57 -2.355 -2.702 2.417 463 3HG1 VAL 57 3HG1 VAL 57 -3.668 -1.844 3.221 464 1HG2 VAL 57 3HG2 VAL 57 -0.062 0.020 1.992 465 2HG2 VAL 57 2HG2 VAL 57 -0.047 -1.568 2.756 466 3HG2 VAL 57 1HG2 VAL 57 -0.747 -1.368 1.150 467 H ARG 58 H ARG 58 -2.959 2.150 4.217 468 HA ARG 58 HA ARG 58 -5.623 1.267 4.870 469 1HB ARG 58 2HB ARG 58 -3.919 2.403 6.423 470 2HB ARG 58 1HB ARG 58 -4.427 3.922 5.683 471 1HG ARG 58 2HG ARG 58 -6.440 3.916 6.746 472 2HG ARG 58 1HG ARG 58 -6.655 2.179 6.535 473 1HD ARG 58 2HD ARG 58 -4.627 2.138 8.306 474 2HD ARG 58 1HD ARG 58 -5.371 3.671 8.766 475 HE ARG 58 HE ARG 58 -7.108 2.415 9.731 476 1HH1 ARG 58 1HH2 ARG 58 -8.570 1.257 7.667 477 2HH1 ARG 58 2HH2 ARG 58 -8.196 -0.434 7.692 478 1HH2 ARG 58 2HH1 ARG 58 -5.318 -0.044 9.584 479 2HH2 ARG 58 1HH1 ARG 58 -6.358 -1.170 8.776 480 H GLN 59 H GLN 59 -4.382 4.195 3.248 481 HA GLN 59 HA GLN 59 -6.894 5.458 2.802 482 1HB GLN 59 2HB GLN 59 -4.323 5.516 1.199 483 2HB GLN 59 1HB GLN 59 -5.694 6.579 0.882 484 1HG GLN 59 2HG GLN 59 -4.635 6.415 3.678 485 2HG GLN 59 1HG GLN 59 -3.723 7.347 2.490 486 1HE2 GLN 59 2HE2 GLN 59 -7.109 8.894 4.034 487 2HE2 GLN 59 1HE2 GLN 59 -6.431 7.447 4.605 488 H LEU 60 H LEU 60 -5.033 3.232 0.717 489 HA LEU 60 HA LEU 60 -6.856 3.109 -1.450 490 1HB LEU 60 2HB LEU 60 -4.934 1.053 -0.333 491 2HB LEU 60 1HB LEU 60 -5.839 0.809 -1.827 492 HG LEU 60 HG LEU 60 -4.202 3.304 -1.418 493 1HD1 LEU 60 2HD1 LEU 60 -3.251 0.609 -2.431 494 2HD1 LEU 60 1HD1 LEU 60 -2.361 2.117 -2.634 495 3HD1 LEU 60 3HD1 LEU 60 -2.649 1.475 -1.018 496 1HD2 LEU 60 3HD2 LEU 60 -5.945 2.845 -3.311 497 2HD2 LEU 60 2HD2 LEU 60 -4.369 3.501 -3.756 498 3HD2 LEU 60 1HD2 LEU 60 -4.701 1.782 -3.970 499 H ASN 61 H ASN 61 -6.847 1.409 1.647 500 HA ASN 61 HA ASN 61 -8.889 -0.502 1.014 501 1HB ASN 61 2HB ASN 61 -7.708 0.609 3.525 502 2HB ASN 61 1HB ASN 61 -9.226 -0.280 3.642 503 1HD2 ASN 61 2HD2 ASN 61 -6.167 -2.439 1.944 504 2HD2 ASN 61 1HD2 ASN 61 -6.466 -0.858 1.406 505 H MET 62 H MET 62 -9.006 2.845 2.138 506 HA MET 62 HA MET 62 -11.928 2.706 2.526 507 1HB MET 62 2HB MET 62 -10.256 4.071 3.949 508 2HB MET 62 1HB MET 62 -10.266 5.217 2.608 509 1HG MET 62 2HG MET 62 -12.552 5.707 2.878 510 2HG MET 62 1HG MET 62 -12.850 4.236 3.805 511 1HE MET 62 2HE MET 62 -14.224 5.793 4.860 512 2HE MET 62 1HE MET 62 -13.796 5.992 6.558 513 3HE MET 62 3HE MET 62 -13.745 7.380 5.460 514 H TYR 63 H TYR 63 -10.260 2.769 -0.264 515 HA TYR 63 HA TYR 63 -12.202 4.673 -1.500 516 1HB TYR 63 2HB TYR 63 -9.249 4.398 -1.987 517 2HB TYR 63 1HB TYR 63 -10.315 5.042 -3.237 518 HD1 TYR 63 HD2 TYR 63 -12.133 6.797 -2.244 519 HD2 TYR 63 HD1 TYR 63 -8.274 5.951 -0.570 520 HE1 TYR 63 HE2 TYR 63 -12.153 8.994 -1.094 521 HE2 TYR 63 HE1 TYR 63 -8.289 8.149 0.583 522 HH TYR 63 HH TYR 63 -9.387 10.364 0.296 523 H GLY 64 H GLY 64 -12.284 1.680 -1.242 524 1HA GLY 64 2HA GLY 64 -13.504 0.338 -2.891 525 2HA GLY 64 1HA GLY 64 -12.584 1.137 -4.162 526 H TRP 65 H TRP 65 -9.969 0.845 -3.213 527 HA TRP 65 HA TRP 65 -9.310 -1.793 -4.039 528 1HB TRP 65 2HB TRP 65 -7.634 -0.007 -2.248 529 2HB TRP 65 1HB TRP 65 -7.051 -1.337 -3.240 530 HD1 TRP 65 HD1 TRP 65 -8.322 2.249 -3.466 531 HE1 TRP 65 HE1 TRP 65 -7.785 3.177 -5.810 532 HE3 TRP 65 HE3 TRP 65 -6.645 -2.008 -5.740 533 HZ2 TRP 65 HZ2 TRP 65 -6.771 2.242 -8.313 534 HZ3 TRP 65 HZ3 TRP 65 -5.899 -1.957 -8.103 535 HH2 TRP 65 HH2 TRP 65 -5.960 0.161 -9.391 536 H HIS 66 H HIS 66 -9.004 -3.716 -2.909 537 HA HIS 66 HA HIS 66 -9.018 -3.703 0.038 538 1HB HIS 66 2HB HIS 66 -11.296 -4.752 -1.629 539 2HB HIS 66 1HB HIS 66 -10.931 -5.467 -0.058 540 HD1 HIS 66 HD1 HIS 66 -12.895 -2.842 -1.513 541 HD2 HIS 66 HD2 HIS 66 -10.737 -3.243 2.031 542 HE1 HIS 66 HE1 HIS 66 -13.763 -1.056 0.061 543 H LYS 67 H LYS 67 -7.167 -4.545 -2.074 544 HA LYS 67 HA LYS 67 -5.749 -6.352 -2.554 545 1HB LYS 67 2HB LYS 67 -6.673 -6.703 0.212 546 2HB LYS 67 1HB LYS 67 -6.199 -8.221 -0.548 547 1HG LYS 67 2HG LYS 67 -4.094 -7.618 0.053 548 2HG LYS 67 1HG LYS 67 -4.171 -6.564 -1.360 549 1HD LYS 67 2HD LYS 67 -4.541 -4.660 -0.089 550 2HD LYS 67 1HD LYS 67 -5.294 -5.560 1.228 551 1HE LYS 67 2HE LYS 67 -2.665 -6.552 1.083 552 2HE LYS 67 1HE LYS 67 -2.512 -4.806 0.887 553 1HZ LYS 67 2HZ LYS 67 -3.885 -4.519 2.869 554 2HZ LYS 67 1HZ LYS 67 -3.956 -6.203 3.070 555 3HZ LYS 67 3HZ LYS 67 -2.471 -5.397 3.209 556 H VAL 68 H VAL 68 -5.826 -8.922 -2.684 557 HA VAL 68 HA VAL 68 -8.390 -10.169 -3.039 558 HB VAL 68 HB VAL 68 -8.342 -8.578 -5.005 559 1HG1 VAL 68 1HG1 VAL 68 -5.858 -8.823 -5.407 560 2HG1 VAL 68 3HG1 VAL 68 -6.189 -10.424 -6.068 561 3HG1 VAL 68 2HG1 VAL 68 -6.852 -8.992 -6.853 562 1HG2 VAL 68 2HG2 VAL 68 -8.703 -11.513 -5.095 563 2HG2 VAL 68 1HG2 VAL 68 -9.824 -10.223 -5.527 564 3HG2 VAL 68 3HG2 VAL 68 -8.577 -10.726 -6.668 565 H GLN 69 H GLN 69 -5.816 -10.703 -1.809 566 HA GLN 69 HA GLN 69 -5.179 -13.260 -3.202 567 1HB GLN 69 2HB GLN 69 -3.163 -11.356 -1.960 568 2HB GLN 69 1HB GLN 69 -2.787 -12.936 -2.646 569 1HG GLN 69 2HG GLN 69 -4.227 -10.874 -4.298 570 2HG GLN 69 1HG GLN 69 -2.473 -10.815 -4.136 571 1HE2 GLN 69 2HE2 GLN 69 -2.007 -13.347 -6.519 572 2HE2 GLN 69 1HE2 GLN 69 -1.383 -11.999 -5.697 573 H ASP 70 H ASP 70 -3.240 -12.605 -0.403 574 HA ASP 70 HA ASP 70 -3.238 -13.613 1.705 575 1HB ASP 70 2HB ASP 70 -6.084 -12.700 1.330 576 2HB ASP 70 1HB ASP 70 -5.602 -13.550 2.799 577 H VAL 71 H VAL 71 -2.729 -15.708 0.575 578 HA VAL 71 HA VAL 71 -4.878 -17.679 1.159 579 HB VAL 71 HB VAL 71 -4.091 -18.928 -0.966 580 1HG1 VAL 71 3HG1 VAL 71 -5.666 -16.344 -1.124 581 2HG1 VAL 71 2HG1 VAL 71 -5.682 -17.607 -2.356 582 3HG1 VAL 71 1HG1 VAL 71 -6.308 -17.942 -0.741 583 1HG2 VAL 71 1HG2 VAL 71 -2.138 -17.311 -1.312 584 2HG2 VAL 71 3HG2 VAL 71 -3.138 -17.614 -2.730 585 3HG2 VAL 71 2HG2 VAL 71 -3.334 -16.120 -1.814 586 H LYS 72 H LYS 72 -1.403 -17.161 0.509 587 HA LYS 72 HA LYS 72 -0.800 -19.217 2.534 588 1HB LYS 72 2HB LYS 72 0.853 -20.332 0.955 589 2HB LYS 72 1HB LYS 72 -0.848 -20.640 0.609 590 1HG LYS 72 2HG LYS 72 -0.702 -18.635 -1.005 591 2HG LYS 72 1HG LYS 72 1.046 -18.784 -0.839 592 1HD LYS 72 2HD LYS 72 -0.374 -21.324 -1.377 593 2HD LYS 72 1HD LYS 72 -0.435 -20.146 -2.687 594 1HE LYS 72 2HE LYS 72 2.164 -20.803 -1.306 595 2HE LYS 72 1HE LYS 72 1.569 -21.783 -2.647 596 1HZ LYS 72 3HZ LYS 72 1.664 -18.858 -2.922 597 2HZ LYS 72 2HZ LYS 72 3.095 -19.757 -3.105 598 3HZ LYS 72 1HZ LYS 72 1.765 -20.053 -4.121 599 H SER 73 H SER 73 0.023 -17.345 3.653 600 HA SER 73 HA SER 73 2.064 -15.636 2.556 601 1HB SER 73 2HB SER 73 1.078 -16.243 5.334 602 2HB SER 73 1HB SER 73 2.523 -15.263 5.105 603 HG SER 73 HG SER 73 1.220 -13.943 3.690 604 H GLY 74 H GLY 74 2.170 -18.574 4.566 605 1HA GLY 74 2HA GLY 74 5.134 -18.619 4.295 606 2HA GLY 74 1HA GLY 74 4.201 -19.589 5.437 607 H SER 75 H SER 75 4.006 -21.696 4.883 608 HA SER 75 HA SER 75 3.956 -23.649 3.582 609 1HB SER 75 2HB SER 75 1.957 -22.312 2.650 610 2HB SER 75 1HB SER 75 3.015 -21.909 1.300 611 HG SER 75 HG SER 75 2.461 -23.788 0.554 612 H MET 76 H MET 76 6.335 -21.710 3.455 613 HA MET 76 HA MET 76 7.978 -23.211 1.689 614 1HB MET 76 2HB MET 76 6.409 -21.135 0.403 615 2HB MET 76 1HB MET 76 8.127 -20.761 0.272 616 1HG MET 76 2HG MET 76 7.079 -23.522 -0.344 617 2HG MET 76 1HG MET 76 7.087 -22.251 -1.566 618 1HE MET 76 2HE MET 76 8.248 -25.057 -0.995 619 2HE MET 76 1HE MET 76 9.166 -24.770 -2.470 620 3HE MET 76 3HE MET 76 10.003 -25.203 -0.974 621 H LEU 77 H LEU 77 9.760 -23.042 2.960 622 HA LEU 77 HA LEU 77 10.364 -20.894 4.712 623 1HB LEU 77 2HB LEU 77 12.659 -21.863 4.785 624 2HB LEU 77 1HB LEU 77 11.401 -23.084 4.977 625 HG LEU 77 HG LEU 77 11.668 -23.093 2.272 626 1HD1 LEU 77 1HD1 LEU 77 13.711 -21.452 2.900 627 2HD1 LEU 77 3HD1 LEU 77 14.535 -23.002 3.068 628 3HD1 LEU 77 2HD1 LEU 77 13.780 -22.567 1.536 629 1HD2 LEU 77 1HD2 LEU 77 13.294 -24.634 4.319 630 2HD2 LEU 77 3HD2 LEU 77 11.716 -25.085 3.674 631 3HD2 LEU 77 2HD2 LEU 77 13.134 -25.102 2.625 632 H SER 78 H SER 78 10.916 -21.227 1.285 633 HA SER 78 HA SER 78 12.613 -18.769 1.319 634 1HB SER 78 2HB SER 78 12.910 -19.575 -1.192 635 2HB SER 78 1HB SER 78 13.854 -20.304 0.103 636 HG SER 78 HG SER 78 12.950 -22.098 -0.500 637 H ASN 79 H ASN 79 10.564 -17.545 1.662 638 HA ASN 79 HA ASN 79 8.388 -17.543 -0.167 639 1HB ASN 79 2HB ASN 79 9.502 -15.603 1.811 640 2HB ASN 79 1HB ASN 79 8.352 -14.987 0.626 641 1HD2 ASN 79 2HD2 ASN 79 6.684 -16.553 3.737 642 2HD2 ASN 79 1HD2 ASN 79 8.062 -15.568 3.638 643 H ASN 80 H ASN 80 8.053 -15.132 -1.341 644 HA ASN 80 HA ASN 80 10.319 -15.024 -3.282 645 1HB ASN 80 2HB ASN 80 7.658 -15.470 -3.776 646 2HB ASN 80 1HB ASN 80 7.769 -13.731 -4.035 647 1HD2 ASN 80 2HD2 ASN 80 9.048 -16.107 -6.941 648 2HD2 ASN 80 1HD2 ASN 80 7.969 -16.569 -5.714 649 H ASP 81 H ASP 81 11.113 -13.610 -1.284 650 HA ASP 81 HA ASP 81 11.745 -11.492 -0.534 651 1HB ASP 81 2HB ASP 81 11.107 -11.130 -3.422 652 2HB ASP 81 1HB ASP 81 11.289 -9.668 -2.451 653 H SER 82 H SER 82 9.190 -10.042 -2.529 654 HA SER 82 HA SER 82 7.557 -9.648 -0.064 655 1HB SER 82 2HB SER 82 8.402 -7.536 -2.061 656 2HB SER 82 1HB SER 82 7.131 -7.298 -0.865 657 HG SER 82 HG SER 82 8.633 -7.609 0.752 658 H ARG 83 H ARG 83 7.359 -8.634 -3.486 659 HA ARG 83 HA ARG 83 5.669 -8.946 -5.075 660 1HB ARG 83 2HB ARG 83 5.521 -11.482 -3.453 661 2HB ARG 83 1HB ARG 83 4.397 -11.192 -4.780 662 1HG ARG 83 2HG ARG 83 7.413 -11.037 -5.049 663 2HG ARG 83 1HG ARG 83 6.459 -12.461 -5.462 664 1HD ARG 83 2HD ARG 83 5.141 -10.386 -6.777 665 2HD ARG 83 1HD ARG 83 6.849 -9.991 -6.973 666 HE ARG 83 HE ARG 83 5.901 -12.737 -7.637 667 1HH1 ARG 83 1HH2 ARG 83 8.216 -13.062 -8.720 668 2HH1 ARG 83 2HH2 ARG 83 8.362 -12.114 -10.163 669 1HH2 ARG 83 2HH1 ARG 83 5.686 -10.050 -9.394 670 2HH2 ARG 83 1HH1 ARG 83 6.929 -10.411 -10.544 671 H TRP 84 H TRP 84 4.176 -7.331 -4.744 672 HA TRP 84 HA TRP 84 1.927 -7.948 -2.872 673 1HB TRP 84 2HB TRP 84 3.319 -5.322 -3.390 674 2HB TRP 84 1HB TRP 84 1.699 -5.395 -2.703 675 HD1 TRP 84 HD1 TRP 84 5.218 -6.798 -2.014 676 HE1 TRP 84 HE1 TRP 84 5.510 -7.025 0.537 677 HE3 TRP 84 HE3 TRP 84 0.553 -5.427 -0.481 678 HZ2 TRP 84 HZ2 TRP 84 3.952 -6.689 2.919 679 HZ3 TRP 84 HZ3 TRP 84 -0.023 -5.394 1.928 680 HH2 TRP 84 HH2 TRP 84 1.669 -6.022 3.629 681 H GLU 85 H GLU 85 -0.129 -6.765 -3.560 682 HA GLU 85 HA GLU 85 -0.298 -5.832 -6.320 683 1HB GLU 85 2HB GLU 85 -0.453 -8.591 -5.968 684 2HB GLU 85 1HB GLU 85 -2.146 -8.095 -6.015 685 1HG GLU 85 2HG GLU 85 -2.009 -7.341 -8.192 686 2HG GLU 85 1HG GLU 85 -0.302 -6.917 -8.049 687 H PHE 86 H PHE 86 -2.220 -4.662 -6.641 688 HA PHE 86 HA PHE 86 -4.174 -4.705 -4.382 689 1HB PHE 86 2HB PHE 86 -3.252 -2.231 -5.878 690 2HB PHE 86 1HB PHE 86 -4.368 -2.279 -4.515 691 HD1 PHE 86 HD1 PHE 86 -3.012 -4.266 -2.740 692 HD2 PHE 86 HD2 PHE 86 -1.392 -1.030 -5.046 693 HE1 PHE 86 HE1 PHE 86 -1.101 -4.105 -1.169 694 HE2 PHE 86 HE2 PHE 86 0.523 -0.873 -3.483 695 HZ PHE 86 HZ PHE 86 0.670 -2.410 -1.544 696 H GLU 87 H GLU 87 -6.282 -4.851 -5.019 697 HA GLU 87 HA GLU 87 -6.935 -4.283 -7.879 698 1HB GLU 87 2HB GLU 87 -6.638 -6.811 -7.104 699 2HB GLU 87 1HB GLU 87 -8.265 -6.572 -6.472 700 1HG GLU 87 2HG GLU 87 -9.060 -6.956 -8.546 701 2HG GLU 87 1HG GLU 87 -8.307 -5.446 -9.060 702 H ASN 88 H ASN 88 -9.231 -3.803 -8.214 703 HA ASN 88 HA ASN 88 -10.732 -3.113 -5.734 704 1HB ASN 88 2HB ASN 88 -11.374 -0.944 -6.738 705 2HB ASN 88 1HB ASN 88 -9.628 -1.053 -6.523 706 1HD2 ASN 88 2HD2 ASN 88 -9.034 -1.406 -10.104 707 2HD2 ASN 88 1HD2 ASN 88 -8.458 -1.997 -8.622 708 H GLU 89 H GLU 89 -13.016 -2.169 -6.711 709 HA GLU 89 HA GLU 89 -14.964 -2.559 -7.956 710 1HB GLU 89 2HB GLU 89 -13.165 -3.149 -9.855 711 2HB GLU 89 1HB GLU 89 -13.789 -4.774 -9.570 712 1HG GLU 89 2HG GLU 89 -16.084 -3.979 -9.944 713 2HG GLU 89 1HG GLU 89 -15.484 -2.338 -10.192 714 H ARG 90 H ARG 90 -13.359 -5.759 -7.870 715 HA ARG 90 HA ARG 90 -14.984 -6.684 -5.657 716 1HB ARG 90 2HB ARG 90 -16.357 -6.660 -8.020 717 2HB ARG 90 1HB ARG 90 -15.636 -8.268 -8.076 718 1HG ARG 90 2HG ARG 90 -16.666 -8.922 -6.040 719 2HG ARG 90 1HG ARG 90 -17.065 -7.257 -5.614 720 1HD ARG 90 2HD ARG 90 -18.175 -8.410 -8.152 721 2HD ARG 90 1HD ARG 90 -18.919 -8.851 -6.614 722 HE ARG 90 HE ARG 90 -18.680 -6.029 -7.582 723 1HH1 ARG 90 1HH2 ARG 90 -19.451 -5.225 -5.230 724 2HH1 ARG 90 2HH2 ARG 90 -21.084 -5.717 -4.928 725 1HH2 ARG 90 2HH1 ARG 90 -21.112 -8.100 -7.446 726 2HH2 ARG 90 1HH1 ARG 90 -22.025 -7.345 -6.183 727 H HIS 91 H HIS 91 -14.742 -9.237 -5.572 728 HA HIS 91 HA HIS 91 -11.867 -9.787 -6.003 729 1HB HIS 91 2HB HIS 91 -14.011 -11.405 -4.591 730 2HB HIS 91 1HB HIS 91 -12.287 -11.777 -4.599 731 HD1 HIS 91 HD1 HIS 91 -11.136 -10.961 -2.558 732 HD2 HIS 91 HD2 HIS 91 -14.330 -8.487 -3.590 733 HE1 HIS 91 HE1 HIS 91 -11.213 -9.124 -0.814 734 H ALA 92 HN ALA 92 -11.546 -12.319 -6.550 735 HA ALA 92 HA ALA 92 -13.385 -13.091 -8.761 736 1HB ALA 92 3HB ALA 92 -10.389 -12.720 -8.962 737 2HB ALA 92 2HB ALA 92 -11.306 -13.687 -10.118 738 3HB ALA 92 1HB ALA 92 -11.641 -11.963 -9.948 No H/Q in entry = 738 Start of MODEL 7 Raw file had 756 H/Q atoms Start of MODEL 7 1 1H ALA 1 3H ALA 1 -16.602 13.610 -7.397 2 2H ALA 1 2H ALA 1 -17.748 14.846 -7.190 3 3H ALA 1 1H ALA 1 -16.373 15.109 -8.155 4 HA ALA 1 HA ALA 1 -15.946 16.204 -6.128 5 1HB ALA 1 3HB ALA 1 -17.333 13.813 -5.064 6 2HB ALA 1 2HB ALA 1 -15.992 14.404 -4.083 7 3HB ALA 1 1HB ALA 1 -17.338 15.474 -4.472 8 H ARG 2 H ARG 2 -15.248 12.696 -5.924 9 HA ARG 2 HA ARG 2 -13.222 11.533 -5.978 10 1HB ARG 2 2HB ARG 2 -12.058 14.030 -7.240 11 2HB ARG 2 1HB ARG 2 -11.432 12.387 -7.350 12 1HG ARG 2 2HG ARG 2 -14.176 13.172 -8.358 13 2HG ARG 2 1HG ARG 2 -12.739 13.179 -9.380 14 1HD ARG 2 2HD ARG 2 -13.125 10.992 -9.775 15 2HD ARG 2 1HD ARG 2 -12.684 10.682 -8.096 16 HE ARG 2 HE ARG 2 -15.377 11.456 -8.036 17 1HH1 ARG 2 1HH2 ARG 2 -16.077 10.168 -10.443 18 2HH1 ARG 2 2HH2 ARG 2 -16.171 8.481 -10.058 19 1HH2 ARG 2 2HH1 ARG 2 -14.356 8.777 -7.120 20 2HH2 ARG 2 1HH1 ARG 2 -15.197 7.695 -8.178 21 HA PRO 3 HA PRO 3 -11.145 13.397 -2.563 22 1HB PRO 3 2HB PRO 3 -9.685 11.242 -1.706 23 2HB PRO 3 1HB PRO 3 -11.429 11.404 -1.441 24 1HG PRO 3 2HG PRO 3 -9.979 9.640 -3.330 25 2HG PRO 3 1HG PRO 3 -11.596 9.450 -2.634 26 1HD PRO 3 2HD PRO 3 -10.980 10.363 -5.255 27 2HD PRO 3 1HD PRO 3 -12.571 10.387 -4.472 28 H ALA 4 H ALA 4 -9.007 14.080 -1.871 29 HA ALA 4 HA ALA 4 -7.175 14.612 -4.012 30 1HB ALA 4 1HB ALA 4 -7.543 15.852 -1.733 31 2HB ALA 4 3HB ALA 4 -6.346 14.709 -1.125 32 3HB ALA 4 2HB ALA 4 -5.928 15.809 -2.440 33 H PHE 5 H PHE 5 -7.478 11.911 -1.825 34 HA PHE 5 HA PHE 5 -4.742 11.009 -1.948 35 1HB PHE 5 2HB PHE 5 -6.524 10.240 -0.292 36 2HB PHE 5 1HB PHE 5 -7.168 9.237 -1.594 37 HD1 PHE 5 HD2 PHE 5 -4.088 9.940 0.388 38 HD2 PHE 5 HD1 PHE 5 -6.149 7.172 -2.170 39 HE1 PHE 5 HE2 PHE 5 -2.358 8.226 0.850 40 HE2 PHE 5 HE1 PHE 5 -4.417 5.456 -1.707 41 HZ PHE 5 HZ PHE 5 -2.522 5.984 -0.196 42 H VAL 6 H VAL 6 -7.645 10.208 -3.867 43 HA VAL 6 HA VAL 6 -6.279 8.303 -5.559 44 HB VAL 6 HB VAL 6 -8.792 9.914 -6.130 45 1HG1 VAL 6 1HG1 VAL 6 -7.665 7.365 -7.333 46 2HG1 VAL 6 3HG1 VAL 6 -9.292 7.971 -7.640 47 3HG1 VAL 6 2HG1 VAL 6 -7.890 8.909 -8.154 48 1HG2 VAL 6 3HG2 VAL 6 -8.559 8.317 -4.017 49 2HG2 VAL 6 2HG2 VAL 6 -10.021 8.296 -5.004 50 3HG2 VAL 6 1HG2 VAL 6 -8.787 7.057 -5.229 51 H ASN 7 H ASN 7 -6.806 11.785 -5.654 52 HA ASN 7 HA ASN 7 -5.968 12.238 -8.359 53 1HB ASN 7 2HB ASN 7 -5.948 13.974 -5.883 54 2HB ASN 7 1HB ASN 7 -5.428 14.570 -7.459 55 1HD2 ASN 7 2HD2 ASN 7 -8.726 15.146 -8.510 56 2HD2 ASN 7 1HD2 ASN 7 -7.075 15.511 -8.659 57 H LYS 8 H LYS 8 -4.173 11.998 -5.313 58 HA LYS 8 HA LYS 8 -1.617 12.670 -6.574 59 1HB LYS 8 2HB LYS 8 -0.655 12.067 -4.358 60 2HB LYS 8 1HB LYS 8 -1.970 13.232 -4.217 61 1HG LYS 8 2HG LYS 8 -3.516 11.520 -3.523 62 2HG LYS 8 1HG LYS 8 -2.367 10.244 -3.918 63 1HD LYS 8 2HD LYS 8 -2.167 10.452 -1.581 64 2HD LYS 8 1HD LYS 8 -0.816 11.408 -2.190 65 1HE LYS 8 2HE LYS 8 -1.734 13.386 -1.505 66 2HE LYS 8 1HE LYS 8 -3.376 12.872 -1.889 67 1HZ LYS 8 3HZ LYS 8 -1.974 11.583 0.343 68 2HZ LYS 8 2HZ LYS 8 -2.612 13.141 0.572 69 3HZ LYS 8 1HZ LYS 8 -3.634 11.858 0.127 70 H LEU 9 H LEU 9 -3.463 9.778 -5.973 71 HA LEU 9 HA LEU 9 -1.267 7.906 -6.127 72 1HB LEU 9 2HB LEU 9 -3.577 7.458 -5.165 73 2HB LEU 9 1HB LEU 9 -4.165 7.378 -6.826 74 HG LEU 9 HG LEU 9 -2.282 5.650 -7.207 75 1HD1 LEU 9 1HD1 LEU 9 -2.379 5.834 -4.189 76 2HD1 LEU 9 3HD1 LEU 9 -1.800 4.393 -5.024 77 3HD1 LEU 9 2HD1 LEU 9 -0.965 5.932 -5.238 78 1HD2 LEU 9 3HD2 LEU 9 -4.812 5.253 -6.920 79 2HD2 LEU 9 2HD2 LEU 9 -3.755 3.876 -6.615 80 3HD2 LEU 9 1HD2 LEU 9 -4.432 4.785 -5.263 81 H TRP 10 H TRP 10 -3.523 9.270 -8.509 82 HA TRP 10 HA TRP 10 -2.652 7.630 -10.710 83 1HB TRP 10 2HB TRP 10 -4.286 10.093 -10.355 84 2HB TRP 10 1HB TRP 10 -3.613 9.811 -11.957 85 HD1 TRP 10 HD1 TRP 10 -6.159 9.431 -12.763 86 HE1 TRP 10 HE1 TRP 10 -7.625 7.313 -12.734 87 HE3 TRP 10 HE3 TRP 10 -3.604 6.602 -9.340 88 HZ2 TRP 10 HZ2 TRP 10 -7.710 4.774 -11.445 89 HZ3 TRP 10 HZ3 TRP 10 -4.407 4.344 -8.739 90 HH2 TRP 10 HH2 TRP 10 -6.456 3.426 -9.784 91 H SER 11 H SER 11 -1.066 10.205 -9.096 92 HA SER 11 HA SER 11 0.490 10.961 -11.513 93 1HB SER 11 2HB SER 11 1.465 12.701 -10.022 94 2HB SER 11 1HB SER 11 -0.291 12.798 -10.100 95 HG SER 11 HG SER 11 0.355 12.894 -7.956 96 H MET 12 H MET 12 0.858 9.407 -8.364 97 HA MET 12 HA MET 12 3.750 9.112 -8.537 98 1HB MET 12 2HB MET 12 1.561 8.045 -6.790 99 2HB MET 12 1HB MET 12 3.138 7.260 -6.757 100 1HG MET 12 2HG MET 12 3.784 9.952 -6.615 101 2HG MET 12 1HG MET 12 2.312 9.853 -5.653 102 1HE MET 12 3HE MET 12 1.991 7.431 -4.458 103 2HE MET 12 2HE MET 12 3.280 6.328 -4.933 104 3HE MET 12 1HE MET 12 3.164 6.863 -3.258 105 H VAL 13 H VAL 13 1.056 6.783 -8.767 106 HA VAL 13 HA VAL 13 2.674 4.581 -9.581 107 HB VAL 13 HB VAL 13 -0.248 4.937 -10.279 108 1HG1 VAL 13 1HG1 VAL 13 1.461 2.914 -10.870 109 2HG1 VAL 13 3HG1 VAL 13 0.901 2.391 -9.281 110 3HG1 VAL 13 2HG1 VAL 13 -0.262 2.674 -10.578 111 1HG2 VAL 13 3HG2 VAL 13 1.081 4.338 -7.632 112 2HG2 VAL 13 2HG2 VAL 13 -0.225 5.470 -7.968 113 3HG2 VAL 13 1HG2 VAL 13 -0.537 3.737 -7.992 114 H ASN 14 H ASN 14 1.101 7.142 -11.435 115 HA ASN 14 HA ASN 14 1.778 5.812 -13.990 116 1HB ASN 14 2HB ASN 14 -0.299 7.437 -13.283 117 2HB ASN 14 1HB ASN 14 0.786 8.598 -14.044 118 1HD2 ASN 14 2HD2 ASN 14 0.733 6.271 -17.076 119 2HD2 ASN 14 1HD2 ASN 14 1.948 6.595 -15.936 120 H ASP 15 H ASP 15 3.808 7.069 -11.976 121 HA ASP 15 HA ASP 15 5.034 9.125 -13.714 122 1HB ASP 15 2HB ASP 15 5.047 8.533 -10.883 123 2HB ASP 15 1HB ASP 15 6.704 8.564 -11.480 124 H LYS 16 H LYS 16 6.561 8.547 -15.173 125 HA LYS 16 HA LYS 16 7.502 5.846 -15.440 126 1HB LYS 16 2HB LYS 16 7.922 8.426 -16.800 127 2HB LYS 16 1HB LYS 16 9.339 7.375 -16.832 128 1HG LYS 16 2HG LYS 16 8.246 5.705 -18.030 129 2HG LYS 16 1HG LYS 16 6.650 6.205 -17.471 130 1HD LYS 16 2HD LYS 16 6.368 7.490 -19.298 131 2HD LYS 16 1HD LYS 16 7.845 8.383 -18.935 132 1HE LYS 16 2HE LYS 16 8.305 5.685 -20.042 133 2HE LYS 16 1HE LYS 16 7.497 6.797 -21.147 134 1HZ LYS 16 2HZ LYS 16 9.249 8.416 -20.731 135 2HZ LYS 16 1HZ LYS 16 10.033 7.323 -19.695 136 3HZ LYS 16 3HZ LYS 16 9.891 6.967 -21.346 137 H SER 17 H SER 17 8.682 8.628 -13.674 138 HA SER 17 HA SER 17 11.399 7.850 -13.320 139 1HB SER 17 2HB SER 17 11.423 9.393 -11.469 140 2HB SER 17 1HB SER 17 10.372 10.078 -12.705 141 HG SER 17 HG SER 17 9.707 9.780 -10.286 142 H ASN 18 H ASN 18 8.447 6.952 -11.570 143 HA ASN 18 HA ASN 18 10.078 5.067 -9.915 144 1HB ASN 18 2HB ASN 18 7.197 5.545 -9.276 145 2HB ASN 18 1HB ASN 18 8.549 5.256 -8.188 146 1HD2 ASN 18 2HD2 ASN 18 7.307 8.970 -8.490 147 2HD2 ASN 18 1HD2 ASN 18 6.377 7.567 -8.700 148 H GLU 19 H GLU 19 9.193 4.620 -12.718 149 HA GLU 19 HA GLU 19 6.934 2.847 -12.763 150 1HB GLU 19 2HB GLU 19 8.130 3.998 -14.745 151 2HB GLU 19 1HB GLU 19 9.267 2.654 -14.663 152 1HG GLU 19 2HG GLU 19 7.678 1.852 -16.185 153 2HG GLU 19 1HG GLU 19 7.109 1.169 -14.661 154 H LYS 20 H LYS 20 10.414 2.297 -12.348 155 HA LYS 20 HA LYS 20 10.253 -0.580 -12.372 156 1HB LYS 20 2HB LYS 20 12.312 1.338 -11.259 157 2HB LYS 20 1HB LYS 20 12.521 -0.414 -11.260 158 1HG LYS 20 2HG LYS 20 12.204 -0.424 -13.727 159 2HG LYS 20 1HG LYS 20 12.089 1.335 -13.698 160 1HD LYS 20 2HD LYS 20 14.341 1.197 -14.083 161 2HD LYS 20 1HD LYS 20 14.401 1.012 -12.329 162 1HE LYS 20 2HE LYS 20 14.155 -1.506 -12.741 163 2HE LYS 20 1HE LYS 20 14.505 -1.155 -14.432 164 1HZ LYS 20 3HZ LYS 20 16.254 -0.222 -12.238 165 2HZ LYS 20 2HZ LYS 20 16.458 -1.741 -12.970 166 3HZ LYS 20 1HZ LYS 20 16.609 -0.323 -13.893 167 H PHE 21 H PHE 21 9.355 1.750 -9.990 168 HA PHE 21 HA PHE 21 9.584 -0.261 -7.808 169 1HB PHE 21 2HB PHE 21 8.739 2.640 -7.579 170 2HB PHE 21 1HB PHE 21 9.231 1.565 -6.273 171 HD1 PHE 21 HD1 PHE 21 11.621 0.252 -7.249 172 HD2 PHE 21 HD2 PHE 21 10.349 4.316 -7.813 173 HE1 PHE 21 HE1 PHE 21 13.979 0.945 -7.583 174 HE2 PHE 21 HE2 PHE 21 12.707 5.008 -8.147 175 HZ PHE 21 HZ PHE 21 14.522 3.322 -8.034 176 H ILE 22 H ILE 22 7.255 1.273 -9.880 177 HA ILE 22 HA ILE 22 5.137 -0.426 -8.799 178 HB ILE 22 HB ILE 22 5.042 1.510 -7.269 179 1HG1 ILE 22 2HG1 ILE 22 2.750 1.671 -9.239 180 2HG1 ILE 22 1HG1 ILE 22 2.955 0.324 -8.119 181 1HG2 ILE 22 3HG2 ILE 22 6.042 3.170 -8.820 182 2HG2 ILE 22 2HG2 ILE 22 4.566 3.140 -9.783 183 3HG2 ILE 22 1HG2 ILE 22 4.526 3.748 -8.129 184 1HD1 ILE 22 3HD1 ILE 22 2.816 3.225 -7.254 185 2HD1 ILE 22 2HD1 ILE 22 1.430 2.134 -7.259 186 3HD1 ILE 22 1HD1 ILE 22 2.809 1.803 -6.210 187 H HIS 23 H HIS 23 3.685 -0.913 -10.418 188 HA HIS 23 HA HIS 23 3.299 0.876 -12.707 189 1HB HIS 23 2HB HIS 23 4.057 -0.819 -14.374 190 2HB HIS 23 1HB HIS 23 5.380 -0.223 -13.371 191 HD1 HIS 23 HD1 HIS 23 3.768 -3.297 -14.443 192 HD2 HIS 23 HD2 HIS 23 5.949 -2.104 -11.096 193 HE1 HIS 23 HE1 HIS 23 4.520 -5.419 -13.285 194 H TRP 24 H TRP 24 1.765 -0.251 -14.334 195 HA TRP 24 HA TRP 24 -0.351 -1.589 -12.770 196 1HB TRP 24 2HB TRP 24 -0.420 -0.894 -15.717 197 2HB TRP 24 1HB TRP 24 -1.787 -1.168 -14.645 198 HD1 TRP 24 HD1 TRP 24 -0.109 0.759 -12.343 199 HE1 TRP 24 HE1 TRP 24 -0.472 3.299 -12.593 200 HE3 TRP 24 HE3 TRP 24 -1.839 0.943 -17.147 201 HZ2 TRP 24 HZ2 TRP 24 -1.377 5.158 -14.559 202 HZ3 TRP 24 HZ3 TRP 24 -2.444 3.112 -18.181 203 HH2 TRP 24 HH2 TRP 24 -2.215 5.219 -16.895 204 H SER 25 H SER 25 -1.033 -3.714 -13.135 205 HA SER 25 HA SER 25 0.883 -5.592 -14.134 206 1HB SER 25 2HB SER 25 -0.766 -7.264 -13.691 207 2HB SER 25 1HB SER 25 -0.997 -6.027 -12.460 208 HG SER 25 HG SER 25 -2.607 -5.133 -13.943 209 H THR 26 H THR 26 0.580 -7.050 -15.995 210 HA THR 26 HA THR 26 -0.053 -5.600 -18.413 211 HB THR 26 HB THR 26 0.218 -8.600 -18.254 212 HG1 THR 26 HG1 THR 26 1.942 -8.004 -17.103 213 1HG2 THR 26 2HG2 THR 26 -0.275 -7.273 -20.404 214 2HG2 THR 26 1HG2 THR 26 1.374 -6.664 -20.262 215 3HG2 THR 26 3HG2 THR 26 1.086 -8.394 -20.451 216 H SER 27 H SER 27 -2.182 -5.074 -18.726 217 HA SER 27 HA SER 27 -4.477 -5.353 -19.106 218 1HB SER 27 2HB SER 27 -3.309 -8.027 -19.768 219 2HB SER 27 1HB SER 27 -5.060 -7.891 -19.647 220 HG SER 27 HG SER 27 -4.587 -7.366 -21.718 221 H GLY 28 H GLY 28 -5.485 -4.937 -17.175 222 1HA GLY 28 2HA GLY 28 -6.967 -6.692 -15.727 223 2HA GLY 28 1HA GLY 28 -5.385 -6.890 -14.976 224 H GLU 29 H GLU 29 -4.838 -3.930 -15.600 225 HA GLU 29 HA GLU 29 -5.001 -1.906 -14.444 226 1HB GLU 29 2HB GLU 29 -7.845 -2.881 -14.020 227 2HB GLU 29 1HB GLU 29 -7.278 -1.253 -13.653 228 1HG GLU 29 2HG GLU 29 -7.247 -0.633 -15.840 229 2HG GLU 29 1HG GLU 29 -6.594 -2.184 -16.369 230 H SER 30 H SER 30 -3.563 -3.450 -12.998 231 HA SER 30 HA SER 30 -4.676 -3.281 -10.233 232 1HB SER 30 2HB SER 30 -3.172 -5.574 -11.510 233 2HB SER 30 1HB SER 30 -3.284 -5.379 -9.762 234 HG SER 30 HG SER 30 -4.953 -6.692 -10.928 235 H ILE 31 H ILE 31 -2.859 -3.242 -8.584 236 HA ILE 31 HA ILE 31 -0.568 -1.687 -9.699 237 HB ILE 31 HB ILE 31 -1.517 -1.820 -6.824 238 1HG1 ILE 31 2HG1 ILE 31 -2.060 0.309 -8.920 239 2HG1 ILE 31 1HG1 ILE 31 -3.241 -0.885 -8.380 240 1HG2 ILE 31 2HG2 ILE 31 0.773 -0.635 -8.178 241 2HG2 ILE 31 1HG2 ILE 31 -0.195 0.599 -7.374 242 3HG2 ILE 31 3HG2 ILE 31 0.442 -0.761 -6.451 243 1HD1 ILE 31 1HD1 ILE 31 -2.762 -0.021 -6.001 244 2HD1 ILE 31 3HD1 ILE 31 -1.983 1.351 -6.789 245 3HD1 ILE 31 2HD1 ILE 31 -3.696 1.033 -7.063 246 H VAL 32 H VAL 32 0.974 -3.216 -10.161 247 HA VAL 32 HA VAL 32 1.532 -5.386 -8.239 248 HB VAL 32 HB VAL 32 2.921 -4.721 -10.853 249 1HG1 VAL 32 2HG1 VAL 32 4.130 -6.204 -9.215 250 2HG1 VAL 32 1HG1 VAL 32 2.770 -7.323 -9.307 251 3HG1 VAL 32 3HG1 VAL 32 3.741 -6.994 -10.742 252 1HG2 VAL 32 2HG2 VAL 32 0.381 -6.142 -10.203 253 2HG2 VAL 32 1HG2 VAL 32 0.821 -5.233 -11.648 254 3HG2 VAL 32 3HG2 VAL 32 1.420 -6.878 -11.425 255 H VAL 33 H VAL 33 2.960 -5.072 -6.620 256 HA VAL 33 HA VAL 33 5.013 -2.921 -6.932 257 HB VAL 33 HB VAL 33 3.920 -4.204 -4.407 258 1HG1 VAL 33 1HG1 VAL 33 6.332 -3.272 -4.414 259 2HG1 VAL 33 3HG1 VAL 33 5.585 -1.688 -4.621 260 3HG1 VAL 33 2HG1 VAL 33 5.235 -2.648 -3.184 261 1HG2 VAL 33 2HG2 VAL 33 3.334 -1.615 -5.850 262 2HG2 VAL 33 1HG2 VAL 33 2.193 -2.850 -5.318 263 3HG2 VAL 33 3HG2 VAL 33 2.993 -1.818 -4.132 264 HA PRO 34 HA PRO 34 7.451 -6.740 -7.032 265 1HB PRO 34 2HB PRO 34 9.536 -5.737 -8.507 266 2HB PRO 34 1HB PRO 34 8.077 -6.438 -9.230 267 1HG PRO 34 2HG PRO 34 8.883 -3.581 -9.019 268 2HG PRO 34 1HG PRO 34 7.837 -4.367 -10.212 269 1HD PRO 34 2HD PRO 34 6.967 -2.815 -8.021 270 2HD PRO 34 1HD PRO 34 5.953 -3.877 -9.016 271 H ASN 35 H ASN 35 8.806 -3.445 -6.729 272 HA ASN 35 HA ASN 35 10.607 -4.455 -4.571 273 1HB ASN 35 2HB ASN 35 10.765 -2.124 -6.475 274 2HB ASN 35 1HB ASN 35 11.686 -2.111 -4.972 275 1HD2 ASN 35 2HD2 ASN 35 14.062 -3.646 -7.246 276 2HD2 ASN 35 1HD2 ASN 35 13.490 -2.117 -6.783 277 H ARG 36 H ARG 36 8.491 -4.390 -3.272 278 HA ARG 36 HA ARG 36 7.222 -1.921 -2.595 279 1HB ARG 36 2HB ARG 36 6.506 -4.372 -2.076 280 2HB ARG 36 1HB ARG 36 7.525 -4.201 -0.646 281 1HG ARG 36 2HG ARG 36 5.603 -1.994 -1.211 282 2HG ARG 36 1HG ARG 36 4.932 -3.517 -0.626 283 1HD ARG 36 2HD ARG 36 7.337 -2.491 0.793 284 2HD ARG 36 1HD ARG 36 5.835 -1.606 1.044 285 HE ARG 36 HE ARG 36 4.938 -4.057 1.550 286 1HH1 ARG 36 1HH2 ARG 36 7.948 -4.832 1.593 287 2HH1 ARG 36 2HH2 ARG 36 8.232 -4.849 3.302 288 1HH2 ARG 36 2HH1 ARG 36 5.319 -3.134 4.073 289 2HH2 ARG 36 1HH1 ARG 36 6.745 -3.887 4.705 290 H GLU 37 H GLU 37 10.192 -3.413 -1.495 291 HA GLU 37 HA GLU 37 10.510 -1.901 0.928 292 1HB GLU 37 2HB GLU 37 11.778 -3.984 0.366 293 2HB GLU 37 1HB GLU 37 12.675 -3.069 -0.844 294 1HG GLU 37 2HG GLU 37 13.945 -2.000 0.716 295 2HG GLU 37 1HG GLU 37 12.597 -1.826 1.839 296 H ARG 38 H ARG 38 12.425 -1.521 -2.078 297 HA ARG 38 HA ARG 38 13.448 1.039 -1.457 298 1HB ARG 38 2HB ARG 38 13.461 -0.742 -3.700 299 2HB ARG 38 1HB ARG 38 13.068 0.868 -4.297 300 1HG ARG 38 2HG ARG 38 15.341 1.118 -4.290 301 2HG ARG 38 1HG ARG 38 15.078 1.489 -2.586 302 1HD ARG 38 2HD ARG 38 16.446 -0.236 -2.094 303 2HD ARG 38 1HD ARG 38 15.193 -1.317 -2.700 304 HE ARG 38 HE ARG 38 16.566 -0.486 -4.977 305 1HH1 ARG 38 2HH1 ARG 38 18.406 -0.783 -2.283 306 2HH1 ARG 38 1HH1 ARG 38 19.267 -2.206 -2.766 307 1HH2 ARG 38 1HH2 ARG 38 17.213 -2.848 -5.484 308 2HH2 ARG 38 2HH2 ARG 38 18.593 -3.375 -4.579 309 H PHE 39 H PHE 39 10.307 0.138 -2.696 310 HA PHE 39 HA PHE 39 9.537 2.685 -3.770 311 1HB PHE 39 2HB PHE 39 8.275 0.658 -4.300 312 2HB PHE 39 1HB PHE 39 7.869 0.432 -2.601 313 HD1 PHE 39 HD2 PHE 39 6.413 2.116 -1.433 314 HD2 PHE 39 HD1 PHE 39 7.014 2.165 -5.691 315 HE1 PHE 39 HE2 PHE 39 4.403 3.552 -1.705 316 HE2 PHE 39 HE1 PHE 39 5.009 3.601 -5.958 317 HZ PHE 39 HZ PHE 39 3.704 4.293 -3.966 318 H VAL 40 H VAL 40 8.862 1.203 -0.572 319 HA VAL 40 HA VAL 40 7.609 3.586 0.443 320 HB VAL 40 HB VAL 40 8.848 1.274 1.966 321 1HG1 VAL 40 1HG1 VAL 40 6.960 3.508 2.747 322 2HG1 VAL 40 3HG1 VAL 40 7.096 2.018 3.682 323 3HG1 VAL 40 2HG1 VAL 40 8.496 3.074 3.498 324 1HG2 VAL 40 3HG2 VAL 40 6.888 0.983 0.186 325 2HG2 VAL 40 2HG2 VAL 40 6.843 0.135 1.732 326 3HG2 VAL 40 1HG2 VAL 40 5.909 1.615 1.509 327 H GLN 41 H GLN 41 10.687 2.089 1.359 328 HA GLN 41 HA GLN 41 11.734 4.154 2.921 329 1HB GLN 41 2HB GLN 41 13.228 2.243 1.111 330 2HB GLN 41 1HB GLN 41 13.960 3.188 2.407 331 1HG GLN 41 2HG GLN 41 12.453 2.095 4.044 332 2HG GLN 41 1HG GLN 41 11.758 1.127 2.743 333 1HE2 GLN 41 2HE2 GLN 41 14.666 -0.662 4.480 334 2HE2 GLN 41 1HE2 GLN 41 13.340 0.180 5.125 335 H GLU 42 H GLU 42 11.517 4.140 -0.605 336 HA GLU 42 HA GLU 42 13.128 6.671 -0.579 337 1HB GLU 42 2HB GLU 42 12.955 4.684 -2.854 338 2HB GLU 42 1HB GLU 42 13.968 6.125 -2.787 339 1HG GLU 42 2HG GLU 42 14.388 4.428 -0.450 340 2HG GLU 42 1HG GLU 42 14.684 3.548 -1.947 341 H VAL 43 H VAL 43 10.642 4.951 -2.502 342 HA VAL 43 HA VAL 43 9.861 7.416 -3.829 343 HB VAL 43 HB VAL 43 8.372 4.778 -3.785 344 1HG1 VAL 43 1HG1 VAL 43 8.279 7.266 -5.481 345 2HG1 VAL 43 3HG1 VAL 43 7.758 5.711 -6.129 346 3HG1 VAL 43 2HG1 VAL 43 6.943 6.398 -4.724 347 1HG2 VAL 43 2HG2 VAL 43 10.839 4.707 -4.498 348 2HG2 VAL 43 1HG2 VAL 43 9.668 4.122 -5.680 349 3HG2 VAL 43 3HG2 VAL 43 10.365 5.734 -5.850 350 H LEU 44 H LEU 44 9.137 6.322 -0.699 351 HA LEU 44 HA LEU 44 6.365 7.345 -0.753 352 1HB LEU 44 2HB LEU 44 7.008 5.379 0.660 353 2HB LEU 44 1HB LEU 44 7.951 6.466 1.669 354 HG LEU 44 HG LEU 44 5.775 7.857 1.845 355 1HD1 LEU 44 2HD1 LEU 44 4.738 6.418 -0.033 356 2HD1 LEU 44 1HD1 LEU 44 4.511 5.191 1.213 357 3HD1 LEU 44 3HD1 LEU 44 3.728 6.762 1.372 358 1HD2 LEU 44 3HD2 LEU 44 6.897 6.174 3.538 359 2HD2 LEU 44 2HD2 LEU 44 5.261 6.757 3.841 360 3HD2 LEU 44 1HD2 LEU 44 5.511 5.158 3.142 361 HA PRO 45 HA PRO 45 8.268 10.660 2.060 362 1HB PRO 45 2HB PRO 45 10.985 11.001 2.052 363 2HB PRO 45 1HB PRO 45 10.126 10.023 3.255 364 1HG PRO 45 2HG PRO 45 11.806 9.137 0.971 365 2HG PRO 45 1HG PRO 45 11.435 8.299 2.487 366 1HD PRO 45 2HD PRO 45 10.251 7.803 -0.037 367 2HD PRO 45 1HD PRO 45 9.717 7.165 1.523 368 H LYS 46 H LYS 46 9.395 9.813 -1.094 369 HA LYS 46 HA LYS 46 10.401 12.412 -1.866 370 1HB LYS 46 2HB LYS 46 10.453 9.875 -2.961 371 2HB LYS 46 1HB LYS 46 9.344 10.730 -4.033 372 1HG LYS 46 2HG LYS 46 11.311 11.343 -5.045 373 2HG LYS 46 1HG LYS 46 11.252 12.615 -3.826 374 1HD LYS 46 2HD LYS 46 12.439 10.260 -2.660 375 2HD LYS 46 1HD LYS 46 13.260 10.624 -4.176 376 1HE LYS 46 2HE LYS 46 12.689 12.911 -2.347 377 2HE LYS 46 1HE LYS 46 13.967 11.794 -1.874 378 1HZ LYS 46 3HZ LYS 46 14.929 12.095 -4.113 379 2HZ LYS 46 2HZ LYS 46 13.764 13.291 -4.428 380 3HZ LYS 46 1HZ LYS 46 14.911 13.522 -3.197 381 H TYR 47 H TYR 47 7.235 11.418 -1.202 382 HA TYR 47 HA TYR 47 6.188 13.673 -2.850 383 1HB TYR 47 2HB TYR 47 5.036 10.887 -2.587 384 2HB TYR 47 1HB TYR 47 4.096 12.259 -3.176 385 HD1 TYR 47 HD2 TYR 47 7.183 10.262 -3.796 386 HD2 TYR 47 HD1 TYR 47 4.339 13.053 -5.402 387 HE1 TYR 47 HE2 TYR 47 8.182 9.984 -6.050 388 HE2 TYR 47 HE1 TYR 47 5.338 12.774 -7.655 389 HH TYR 47 HH TYR 47 7.877 12.002 -8.456 390 H PHE 48 H PHE 48 5.469 11.436 -0.151 391 HA PHE 48 HA PHE 48 3.558 13.354 1.001 392 1HB PHE 48 2HB PHE 48 4.635 10.759 2.146 393 2HB PHE 48 1HB PHE 48 3.243 11.664 2.744 394 HD1 PHE 48 HD1 PHE 48 1.211 11.930 1.285 395 HD2 PHE 48 HD2 PHE 48 4.454 9.308 0.259 396 HE1 PHE 48 HE1 PHE 48 -0.251 10.759 -0.342 397 HE2 PHE 48 HE2 PHE 48 2.994 8.137 -1.368 398 HZ PHE 48 HZ PHE 48 0.643 8.862 -1.667 399 H LYS 49 H LYS 49 3.871 13.859 3.435 400 HA LYS 49 HA LYS 49 6.560 15.029 3.752 401 1HB LYS 49 2HB LYS 49 4.074 15.218 5.481 402 2HB LYS 49 1HB LYS 49 5.567 16.116 5.757 403 1HG LYS 49 2HG LYS 49 4.338 17.668 4.538 404 2HG LYS 49 1HG LYS 49 5.230 16.860 3.250 405 1HD LYS 49 2HD LYS 49 3.352 15.950 2.360 406 2HD LYS 49 1HD LYS 49 2.706 15.512 3.941 407 1HE LYS 49 2HE LYS 49 2.728 18.365 2.939 408 2HE LYS 49 1HE LYS 49 1.381 17.268 2.637 409 1HZ LYS 49 1HZ LYS 49 1.251 16.909 5.062 410 2HZ LYS 49 3HZ LYS 49 2.442 18.096 5.284 411 3HZ LYS 49 2HZ LYS 49 0.939 18.517 4.612 412 H HIS 50 H HIS 50 4.401 13.137 5.903 413 HA HIS 50 HA HIS 50 6.743 11.514 6.728 414 1HB HIS 50 2HB HIS 50 5.062 13.246 8.537 415 2HB HIS 50 1HB HIS 50 5.880 11.812 9.157 416 HD1 HIS 50 HD1 HIS 50 8.271 12.122 9.819 417 HD2 HIS 50 HD2 HIS 50 7.004 15.093 7.184 418 HE1 HIS 50 HE1 HIS 50 10.194 13.756 9.602 419 H SER 51 H SER 51 4.665 10.695 5.079 420 HA SER 51 HA SER 51 2.617 9.333 6.682 421 1HB SER 51 2HB SER 51 2.693 10.204 4.085 422 2HB SER 51 1HB SER 51 3.018 8.486 3.875 423 HG SER 51 HG SER 51 0.857 9.654 5.308 424 H ASN 52 H ASN 52 2.346 6.855 6.111 425 HA ASN 52 HA ASN 52 4.972 5.491 5.907 426 1HB ASN 52 2HB ASN 52 4.499 4.118 7.908 427 2HB ASN 52 1HB ASN 52 4.630 5.828 8.317 428 1HD2 ASN 52 2HD2 ASN 52 1.446 4.197 9.753 429 2HD2 ASN 52 1HD2 ASN 52 3.036 3.608 9.708 430 H PHE 53 H PHE 53 4.698 3.130 5.543 431 HA PHE 53 HA PHE 53 2.918 2.484 3.495 432 1HB PHE 53 2HB PHE 53 3.375 0.107 4.064 433 2HB PHE 53 1HB PHE 53 4.842 1.083 4.048 434 HD1 PHE 53 HD1 PHE 53 2.409 -0.694 6.167 435 HD2 PHE 53 HD2 PHE 53 6.016 1.641 6.126 436 HE1 PHE 53 HE1 PHE 53 2.854 -1.340 8.520 437 HE2 PHE 53 HE2 PHE 53 6.461 0.994 8.478 438 HZ PHE 53 HZ PHE 53 4.881 -0.496 9.675 439 H ALA 54 H ALA 54 2.388 2.172 6.989 440 HA ALA 54 HA ALA 54 -0.019 0.659 6.910 441 1HB ALA 54 3HB ALA 54 1.520 1.606 8.910 442 2HB ALA 54 2HB ALA 54 0.212 2.788 8.974 443 3HB ALA 54 1HB ALA 54 -0.142 1.071 9.162 444 H SER 55 H SER 55 0.458 4.199 6.859 445 HA SER 55 HA SER 55 -2.353 4.825 6.777 446 1HB SER 55 2HB SER 55 0.105 6.405 5.995 447 2HB SER 55 1HB SER 55 -1.523 7.075 5.960 448 HG SER 55 HG SER 55 -1.000 7.507 7.978 449 H PHE 56 H PHE 56 -0.013 3.983 4.307 450 HA PHE 56 HA PHE 56 -1.540 5.001 2.068 451 1HB PHE 56 2HB PHE 56 0.994 4.253 2.261 452 2HB PHE 56 1HB PHE 56 0.342 2.689 1.769 453 HD1 PHE 56 HD2 PHE 56 -1.187 2.643 -0.316 454 HD2 PHE 56 HD1 PHE 56 1.388 5.933 0.668 455 HE1 PHE 56 HE2 PHE 56 -1.303 3.435 -2.664 456 HE2 PHE 56 HE1 PHE 56 1.273 6.726 -1.677 457 HZ PHE 56 HZ PHE 56 -0.071 5.478 -3.344 458 H VAL 57 H VAL 57 -1.320 1.833 3.663 459 HA VAL 57 HA VAL 57 -3.009 0.464 1.769 460 HB VAL 57 HB VAL 57 -2.435 -0.214 4.672 461 1HG1 VAL 57 1HG1 VAL 57 -3.708 -1.690 2.378 462 2HG1 VAL 57 3HG1 VAL 57 -2.831 -2.583 3.621 463 3HG1 VAL 57 2HG1 VAL 57 -4.226 -1.599 4.061 464 1HG2 VAL 57 2HG2 VAL 57 -1.033 -0.939 2.082 465 2HG2 VAL 57 1HG2 VAL 57 -0.359 -0.041 3.441 466 3HG2 VAL 57 3HG2 VAL 57 -0.734 -1.753 3.618 467 H ARG 58 H ARG 58 -3.640 2.172 4.828 468 HA ARG 58 HA ARG 58 -6.426 1.416 4.962 469 1HB ARG 58 2HB ARG 58 -4.850 2.442 6.802 470 2HB ARG 58 1HB ARG 58 -5.406 3.980 6.142 471 1HG ARG 58 2HG ARG 58 -7.068 3.624 7.707 472 2HG ARG 58 1HG ARG 58 -7.783 2.782 6.332 473 1HD ARG 58 2HD ARG 58 -5.930 1.220 8.067 474 2HD ARG 58 1HD ARG 58 -7.517 1.610 8.728 475 HE ARG 58 HE ARG 58 -7.958 0.609 6.129 476 1HH1 ARG 58 1HH2 ARG 58 -5.630 -0.790 7.991 477 2HH1 ARG 58 2HH2 ARG 58 -6.461 -2.282 8.279 478 1HH2 ARG 58 2HH1 ARG 58 -9.474 -1.161 6.979 479 2HH2 ARG 58 1HH1 ARG 58 -8.636 -2.492 7.707 480 H GLN 59 H GLN 59 -4.679 4.029 3.367 481 HA GLN 59 HA GLN 59 -7.016 5.636 2.792 482 1HB GLN 59 2HB GLN 59 -4.214 5.537 1.678 483 2HB GLN 59 1HB GLN 59 -5.440 6.588 0.974 484 1HG GLN 59 2HG GLN 59 -4.639 6.597 3.898 485 2HG GLN 59 1HG GLN 59 -4.071 7.757 2.698 486 1HE2 GLN 59 2HE2 GLN 59 -7.573 8.994 2.284 487 2HE2 GLN 59 1HE2 GLN 59 -6.415 8.301 1.256 488 H LEU 60 H LEU 60 -5.314 3.042 1.068 489 HA LEU 60 HA LEU 60 -6.816 3.333 -1.386 490 1HB LEU 60 2HB LEU 60 -5.382 0.887 -0.315 491 2HB LEU 60 1HB LEU 60 -5.874 1.157 -1.987 492 HG LEU 60 HG LEU 60 -4.083 3.121 -0.571 493 1HD1 LEU 60 1HD1 LEU 60 -3.420 0.433 -1.707 494 2HD1 LEU 60 3HD1 LEU 60 -2.286 1.757 -1.978 495 3HD1 LEU 60 2HD1 LEU 60 -2.703 1.276 -0.333 496 1HD2 LEU 60 2HD2 LEU 60 -5.256 3.592 -2.798 497 2HD2 LEU 60 1HD2 LEU 60 -3.503 3.784 -2.794 498 3HD2 LEU 60 3HD2 LEU 60 -4.231 2.335 -3.490 499 H ASN 61 H ASN 61 -7.116 1.097 1.383 500 HA ASN 61 HA ASN 61 -9.432 -0.257 0.324 501 1HB ASN 61 2HB ASN 61 -8.035 -0.147 2.970 502 2HB ASN 61 1HB ASN 61 -9.652 -0.851 2.893 503 1HD2 ASN 61 2HD2 ASN 61 -6.834 -2.664 0.501 504 2HD2 ASN 61 1HD2 ASN 61 -6.885 -0.969 0.578 505 H MET 62 H MET 62 -9.032 2.747 2.037 506 HA MET 62 HA MET 62 -11.713 2.853 3.137 507 1HB MET 62 2HB MET 62 -9.792 4.186 4.020 508 2HB MET 62 1HB MET 62 -9.817 5.141 2.538 509 1HG MET 62 2HG MET 62 -11.074 6.335 4.239 510 2HG MET 62 1HG MET 62 -12.205 5.736 3.029 511 1HE MET 62 1HE MET 62 -14.321 5.468 3.983 512 2HE MET 62 3HE MET 62 -14.694 5.022 5.654 513 3HE MET 62 2HE MET 62 -13.788 6.493 5.314 514 H TYR 63 H TYR 63 -10.377 3.507 -0.012 515 HA TYR 63 HA TYR 63 -12.831 5.013 -0.772 516 1HB TYR 63 2HB TYR 63 -10.159 4.656 -2.149 517 2HB TYR 63 1HB TYR 63 -11.535 5.483 -2.884 518 HD1 TYR 63 HD2 TYR 63 -12.750 7.140 -1.028 519 HD2 TYR 63 HD1 TYR 63 -8.588 6.093 -1.211 520 HE1 TYR 63 HE2 TYR 63 -12.176 9.208 0.212 521 HE2 TYR 63 HE1 TYR 63 -8.014 8.162 0.031 522 HH TYR 63 HH TYR 63 -9.817 9.785 1.830 523 H GLY 64 H GLY 64 -10.888 2.198 -1.770 524 1HA GLY 64 2HA GLY 64 -12.862 0.390 -2.319 525 2HA GLY 64 1HA GLY 64 -12.875 1.398 -3.767 526 H TRP 65 H TRP 65 -10.694 -0.546 -1.731 527 HA TRP 65 HA TRP 65 -9.392 -1.598 -4.155 528 1HB TRP 65 2HB TRP 65 -7.984 0.143 -2.129 529 2HB TRP 65 1HB TRP 65 -7.102 -1.066 -3.060 530 HD1 TRP 65 HD1 TRP 65 -8.861 2.276 -3.384 531 HE1 TRP 65 HE1 TRP 65 -8.401 3.248 -5.728 532 HE3 TRP 65 HE3 TRP 65 -6.605 -1.745 -5.577 533 HZ2 TRP 65 HZ2 TRP 65 -7.232 2.423 -8.207 534 HZ3 TRP 65 HZ3 TRP 65 -5.829 -1.627 -7.926 535 HH2 TRP 65 HH2 TRP 65 -6.139 0.451 -9.243 536 H HIS 66 H HIS 66 -9.044 -3.748 -3.797 537 HA HIS 66 HA HIS 66 -8.492 -4.655 -1.014 538 1HB HIS 66 2HB HIS 66 -10.722 -5.586 -2.820 539 2HB HIS 66 1HB HIS 66 -10.079 -6.626 -1.548 540 HD1 HIS 66 HD1 HIS 66 -9.611 -4.570 0.677 541 HD2 HIS 66 HD2 HIS 66 -13.071 -4.666 -1.645 542 HE1 HIS 66 HE1 HIS 66 -11.408 -3.398 2.022 543 H LYS 67 H LYS 67 -6.869 -6.137 -0.962 544 HA LYS 67 HA LYS 67 -5.713 -7.060 -3.507 545 1HB LYS 67 2HB LYS 67 -4.839 -7.575 -0.646 546 2HB LYS 67 1HB LYS 67 -3.905 -7.954 -2.092 547 1HG LYS 67 2HG LYS 67 -2.992 -5.895 -1.799 548 2HG LYS 67 1HG LYS 67 -4.494 -5.303 -2.504 549 1HD LYS 67 2HD LYS 67 -4.643 -4.109 -0.566 550 2HD LYS 67 1HD LYS 67 -5.258 -5.625 0.093 551 1HE LYS 67 2HE LYS 67 -3.313 -6.080 1.228 552 2HE LYS 67 1HE LYS 67 -2.298 -5.303 0.013 553 1HZ LYS 67 1HZ LYS 67 -3.358 -3.154 0.825 554 2HZ LYS 67 3HZ LYS 67 -3.872 -4.044 2.175 555 3HZ LYS 67 2HZ LYS 67 -2.212 -3.888 1.842 556 H VAL 68 H VAL 68 -7.431 -8.482 -4.171 557 HA VAL 68 HA VAL 68 -7.926 -10.852 -2.462 558 HB VAL 68 HB VAL 68 -9.711 -9.366 -3.697 559 1HG1 VAL 68 3HG1 VAL 68 -8.423 -9.941 -5.949 560 2HG1 VAL 68 2HG1 VAL 68 -9.463 -11.364 -5.904 561 3HG1 VAL 68 1HG1 VAL 68 -10.176 -9.752 -5.918 562 1HG2 VAL 68 1HG2 VAL 68 -9.718 -11.912 -2.636 563 2HG2 VAL 68 3HG2 VAL 68 -11.148 -11.010 -3.138 564 3HG2 VAL 68 2HG2 VAL 68 -10.402 -12.166 -4.242 565 H GLN 69 H GLN 69 -8.500 -12.677 -4.643 566 HA GLN 69 HA GLN 69 -7.443 -14.187 -6.074 567 1HB GLN 69 2HB GLN 69 -6.676 -11.874 -7.114 568 2HB GLN 69 1HB GLN 69 -5.109 -12.349 -6.457 569 1HG GLN 69 2HG GLN 69 -5.443 -14.593 -7.611 570 2HG GLN 69 1HG GLN 69 -6.808 -13.859 -8.451 571 1HE2 GLN 69 2HE2 GLN 69 -4.776 -12.084 -10.725 572 2HE2 GLN 69 1HE2 GLN 69 -6.349 -12.490 -10.232 573 H ASP 70 H ASP 70 -6.897 -15.759 -4.587 574 HA ASP 70 HA ASP 70 -4.611 -15.471 -2.792 575 1HB ASP 70 2HB ASP 70 -6.830 -16.977 -2.643 576 2HB ASP 70 1HB ASP 70 -5.762 -18.157 -3.402 577 H VAL 71 H VAL 71 -2.581 -15.547 -3.627 578 HA VAL 71 HA VAL 71 -2.072 -17.168 -6.058 579 HB VAL 71 HB VAL 71 -1.261 -14.829 -5.991 580 1HG1 VAL 71 3HG1 VAL 71 -0.626 -15.370 -3.359 581 2HG1 VAL 71 2HG1 VAL 71 0.955 -15.390 -4.137 582 3HG1 VAL 71 1HG1 VAL 71 -0.072 -13.963 -4.265 583 1HG2 VAL 71 2HG2 VAL 71 0.810 -17.037 -6.049 584 2HG2 VAL 71 1HG2 VAL 71 -0.020 -16.296 -7.417 585 3HG2 VAL 71 3HG2 VAL 71 1.179 -15.376 -6.510 586 H LYS 72 H LYS 72 -1.310 -17.097 -2.628 587 HA LYS 72 HA LYS 72 0.528 -19.417 -2.998 588 1HB LYS 72 2HB LYS 72 0.169 -17.361 -0.836 589 2HB LYS 72 1HB LYS 72 0.910 -18.916 -0.451 590 1HG LYS 72 2HG LYS 72 2.273 -18.301 -2.714 591 2HG LYS 72 1HG LYS 72 1.954 -16.678 -2.100 592 1HD LYS 72 2HD LYS 72 2.963 -18.774 -0.208 593 2HD LYS 72 1HD LYS 72 4.101 -17.991 -1.303 594 1HE LYS 72 2HE LYS 72 3.541 -15.808 -0.445 595 2HE LYS 72 1HE LYS 72 2.200 -16.466 0.493 596 1HZ LYS 72 3HZ LYS 72 3.865 -17.821 1.709 597 2HZ LYS 72 2HZ LYS 72 5.095 -16.973 0.901 598 3HZ LYS 72 1HZ LYS 72 4.038 -16.152 1.948 599 H SER 73 H SER 73 -0.636 -21.283 -2.972 600 HA SER 73 HA SER 73 -3.051 -21.561 -1.325 601 1HB SER 73 2HB SER 73 -3.286 -23.715 -2.362 602 2HB SER 73 1HB SER 73 -2.737 -22.612 -3.621 603 HG SER 73 HG SER 73 -1.548 -24.821 -2.624 604 H GLY 74 H GLY 74 0.338 -22.469 -1.174 605 1HA GLY 74 2HA GLY 74 0.083 -24.450 0.907 606 2HA GLY 74 1HA GLY 74 1.569 -23.608 0.470 607 H SER 75 H SER 75 2.129 -21.698 1.583 608 HA SER 75 HA SER 75 2.215 -20.251 3.426 609 1HB SER 75 2HB SER 75 -0.041 -19.607 2.340 610 2HB SER 75 1HB SER 75 -0.784 -20.554 3.625 611 HG SER 75 HG SER 75 0.686 -18.171 3.750 612 H MET 76 H MET 76 3.263 -21.761 4.824 613 HA MET 76 HA MET 76 1.747 -23.714 6.351 614 1HB MET 76 2HB MET 76 4.573 -22.656 6.613 615 2HB MET 76 1HB MET 76 3.910 -23.912 7.657 616 1HG MET 76 2HG MET 76 3.573 -25.399 5.813 617 2HG MET 76 1HG MET 76 3.885 -24.119 4.640 618 1HE MET 76 1HE MET 76 5.062 -27.149 5.732 619 2HE MET 76 3HE MET 76 6.723 -27.058 6.335 620 3HE MET 76 2HE MET 76 5.385 -26.513 7.344 621 H LEU 77 H LEU 77 3.849 -21.266 7.869 622 HA LEU 77 HA LEU 77 1.796 -20.899 9.965 623 1HB LEU 77 2HB LEU 77 4.710 -20.232 9.688 624 2HB LEU 77 1HB LEU 77 3.736 -19.331 10.850 625 HG LEU 77 HG LEU 77 2.925 -21.616 11.698 626 1HD1 LEU 77 3HD1 LEU 77 3.738 -22.895 9.727 627 2HD1 LEU 77 2HD1 LEU 77 5.397 -22.506 10.183 628 3HD1 LEU 77 1HD1 LEU 77 4.403 -23.512 11.238 629 1HD2 LEU 77 3HD2 LEU 77 5.703 -20.503 12.007 630 2HD2 LEU 77 2HD2 LEU 77 4.368 -20.491 13.160 631 3HD2 LEU 77 1HD2 LEU 77 5.256 -21.983 12.854 632 H SER 78 H SER 78 3.932 -18.599 8.241 633 HA SER 78 HA SER 78 1.701 -17.013 7.279 634 1HB SER 78 2HB SER 78 1.556 -16.241 9.556 635 2HB SER 78 1HB SER 78 3.301 -16.035 9.659 636 HG SER 78 HG SER 78 1.966 -14.098 9.226 637 H ASN 79 H ASN 79 4.826 -15.720 8.397 638 HA ASN 79 HA ASN 79 6.623 -14.834 7.185 639 1HB ASN 79 2HB ASN 79 6.290 -17.414 6.337 640 2HB ASN 79 1HB ASN 79 6.145 -16.539 4.813 641 1HD2 ASN 79 2HD2 ASN 79 9.699 -16.257 6.880 642 2HD2 ASN 79 1HD2 ASN 79 8.263 -16.522 7.744 643 H ASN 80 H ASN 80 6.041 -12.761 6.587 644 HA ASN 80 HA ASN 80 4.011 -12.169 4.619 645 1HB ASN 80 2HB ASN 80 4.811 -10.599 6.441 646 2HB ASN 80 1HB ASN 80 6.279 -10.361 5.493 647 1HD2 ASN 80 2HD2 ASN 80 4.750 -8.055 3.322 648 2HD2 ASN 80 1HD2 ASN 80 6.184 -8.745 3.913 649 H ASP 81 H ASP 81 4.373 -11.304 2.463 650 HA ASP 81 HA ASP 81 6.926 -12.284 1.255 651 1HB ASP 81 2HB ASP 81 4.423 -13.069 0.582 652 2HB ASP 81 1HB ASP 81 4.600 -11.683 -0.495 653 H SER 82 H SER 82 7.658 -11.003 -0.670 654 HA SER 82 HA SER 82 7.359 -8.099 -0.103 655 1HB SER 82 2HB SER 82 9.653 -9.063 -0.207 656 2HB SER 82 1HB SER 82 9.356 -9.546 -1.875 657 HG SER 82 HG SER 82 10.129 -7.606 -2.241 658 H ARG 83 H ARG 83 5.221 -9.502 -1.440 659 HA ARG 83 HA ARG 83 5.272 -8.046 -4.045 660 1HB ARG 83 2HB ARG 83 5.630 -10.636 -4.176 661 2HB ARG 83 1HB ARG 83 3.907 -10.718 -3.804 662 1HG ARG 83 2HG ARG 83 3.298 -9.580 -5.773 663 2HG ARG 83 1HG ARG 83 4.918 -8.923 -6.002 664 1HD ARG 83 2HD ARG 83 5.015 -11.820 -5.964 665 2HD ARG 83 1HD ARG 83 3.855 -11.259 -7.169 666 HE ARG 83 HE ARG 83 6.587 -10.072 -7.136 667 1HH1 ARG 83 1HH2 ARG 83 5.278 -12.852 -8.326 668 2HH1 ARG 83 2HH2 ARG 83 5.494 -12.481 -10.003 669 1HH2 ARG 83 2HH1 ARG 83 6.363 -9.172 -9.430 670 2HH2 ARG 83 1HH1 ARG 83 6.108 -10.395 -10.629 671 H TRP 84 H TRP 84 3.647 -6.583 -3.946 672 HA TRP 84 HA TRP 84 1.176 -7.343 -2.443 673 1HB TRP 84 2HB TRP 84 2.397 -4.600 -2.869 674 2HB TRP 84 1HB TRP 84 0.865 -4.909 -2.048 675 HD1 TRP 84 HD1 TRP 84 4.484 -6.267 -1.775 676 HE1 TRP 84 HE1 TRP 84 5.064 -6.508 0.726 677 HE3 TRP 84 HE3 TRP 84 0.085 -4.723 0.299 678 HZ2 TRP 84 HZ2 TRP 84 3.820 -6.107 3.269 679 HZ3 TRP 84 HZ3 TRP 84 -0.194 -4.666 2.759 680 HH2 TRP 84 HH2 TRP 84 1.666 -5.354 4.247 681 H GLU 85 H GLU 85 -0.524 -7.669 -3.773 682 HA GLU 85 HA GLU 85 -0.580 -6.224 -6.393 683 1HB GLU 85 2HB GLU 85 -1.811 -8.874 -5.572 684 2HB GLU 85 1HB GLU 85 -2.080 -8.096 -7.132 685 1HG GLU 85 2HG GLU 85 -0.044 -8.712 -7.924 686 2HG GLU 85 1HG GLU 85 0.765 -8.318 -6.407 687 H PHE 86 H PHE 86 -1.983 -4.533 -6.277 688 HA PHE 86 HA PHE 86 -4.330 -4.721 -4.465 689 1HB PHE 86 2HB PHE 86 -3.286 -2.346 -6.037 690 2HB PHE 86 1HB PHE 86 -4.543 -2.308 -4.802 691 HD1 PHE 86 HD2 PHE 86 -0.945 -3.072 -5.385 692 HD2 PHE 86 HD1 PHE 86 -3.996 -2.197 -2.493 693 HE1 PHE 86 HE2 PHE 86 0.791 -2.822 -3.633 694 HE2 PHE 86 HE1 PHE 86 -2.261 -1.949 -0.738 695 HZ PHE 86 HZ PHE 86 0.132 -2.262 -1.308 696 H GLU 87 H GLU 87 -6.015 -5.731 -5.475 697 HA GLU 87 HA GLU 87 -6.525 -5.178 -8.349 698 1HB GLU 87 2HB GLU 87 -7.472 -7.271 -6.401 699 2HB GLU 87 1HB GLU 87 -8.372 -6.971 -7.888 700 1HG GLU 87 2HG GLU 87 -5.927 -7.122 -8.955 701 2HG GLU 87 1HG GLU 87 -5.635 -8.109 -7.523 702 H ASN 88 H ASN 88 -8.384 -4.122 -9.041 703 HA ASN 88 HA ASN 88 -9.782 -2.503 -7.023 704 1HB ASN 88 2HB ASN 88 -8.993 -1.906 -9.511 705 2HB ASN 88 1HB ASN 88 -10.609 -2.503 -9.892 706 1HD2 ASN 88 2HD2 ASN 88 -10.506 1.217 -8.834 707 2HD2 ASN 88 1HD2 ASN 88 -9.397 0.352 -9.785 708 H GLU 89 H GLU 89 -11.274 -3.759 -5.894 709 HA GLU 89 HA GLU 89 -12.853 -5.826 -7.152 710 1HB GLU 89 2HB GLU 89 -12.271 -5.275 -4.572 711 2HB GLU 89 1HB GLU 89 -13.879 -4.564 -4.657 712 1HG GLU 89 2HG GLU 89 -14.434 -6.744 -4.123 713 2HG GLU 89 1HG GLU 89 -14.462 -6.840 -5.883 714 H ARG 90 H ARG 90 -14.256 -2.949 -5.530 715 HA ARG 90 HA ARG 90 -16.176 -1.732 -6.064 716 1HB ARG 90 2HB ARG 90 -14.293 -1.617 -8.292 717 2HB ARG 90 1HB ARG 90 -15.952 -1.331 -8.819 718 1HG ARG 90 2HG ARG 90 -16.087 0.263 -6.764 719 2HG ARG 90 1HG ARG 90 -14.325 0.216 -6.813 720 1HD ARG 90 2HD ARG 90 -15.273 2.117 -8.127 721 2HD ARG 90 1HD ARG 90 -14.326 1.007 -9.118 722 HE ARG 90 HE ARG 90 -16.359 0.252 -10.153 723 1HH1 ARG 90 2HH1 ARG 90 -16.636 3.315 -9.006 724 2HH1 ARG 90 1HH1 ARG 90 -18.357 3.315 -8.811 725 1HH2 ARG 90 1HH2 ARG 90 -18.678 -0.104 -9.298 726 2HH2 ARG 90 2HH2 ARG 90 -19.515 1.378 -8.977 727 H HIS 91 H HIS 91 -16.159 -3.204 -9.297 728 HA HIS 91 HA HIS 91 -18.823 -4.366 -8.642 729 1HB HIS 91 2HB HIS 91 -18.985 -4.521 -11.221 730 2HB HIS 91 1HB HIS 91 -19.091 -2.924 -10.490 731 HD1 HIS 91 HD1 HIS 91 -15.808 -4.771 -10.983 732 HD2 HIS 91 HD2 HIS 91 -17.868 -1.527 -12.600 733 HE1 HIS 91 HE1 HIS 91 -14.193 -3.602 -12.535 734 H ALA 92 HN ALA 92 -17.191 -6.030 -7.565 735 HA ALA 92 HA ALA 92 -15.832 -7.898 -9.288 736 1HB ALA 92 2HB ALA 92 -16.545 -7.728 -6.422 737 2HB ALA 92 1HB ALA 92 -16.398 -9.368 -7.052 738 3HB ALA 92 3HB ALA 92 -15.040 -8.251 -7.178 No H/Q in entry = 738 Start of MODEL 8 Raw file had 756 H/Q atoms Start of MODEL 8 1 1H ALA 1 1H ALA 1 -17.149 12.362 -6.547 2 2H ALA 1 3H ALA 1 -18.365 11.839 -5.486 3 3H ALA 1 2H ALA 1 -17.937 13.482 -5.540 4 HA ALA 1 HA ALA 1 -16.930 12.632 -3.605 5 1HB ALA 1 2HB ALA 1 -16.350 10.329 -5.431 6 2HB ALA 1 1HB ALA 1 -15.247 10.638 -4.090 7 3HB ALA 1 3HB ALA 1 -16.952 10.318 -3.774 8 H ARG 2 H ARG 2 -14.885 13.414 -2.999 9 HA ARG 2 HA ARG 2 -13.011 14.123 -5.213 10 1HB ARG 2 2HB ARG 2 -14.413 16.098 -4.533 11 2HB ARG 2 1HB ARG 2 -13.735 15.956 -2.911 12 1HG ARG 2 2HG ARG 2 -11.690 16.763 -3.545 13 2HG ARG 2 1HG ARG 2 -11.768 15.998 -5.134 14 1HD ARG 2 2HD ARG 2 -11.888 18.486 -5.266 15 2HD ARG 2 1HD ARG 2 -13.327 17.704 -5.921 16 HE ARG 2 HE ARG 2 -13.694 18.315 -3.127 17 1HH1 ARG 2 2HH1 ARG 2 -15.941 18.765 -4.855 18 2HH1 ARG 2 1HH1 ARG 2 -15.953 20.477 -5.114 19 1HH2 ARG 2 1HH2 ARG 2 -12.674 20.924 -4.078 20 2HH2 ARG 2 2HH2 ARG 2 -14.103 21.699 -4.675 21 HA PRO 3 HA PRO 3 -10.703 12.424 -1.712 22 1HB PRO 3 2HB PRO 3 -9.597 10.221 -2.908 23 2HB PRO 3 1HB PRO 3 -11.183 10.213 -2.122 24 1HG PRO 3 2HG PRO 3 -10.530 10.168 -5.018 25 2HG PRO 3 1HG PRO 3 -11.980 9.585 -4.184 26 1HD PRO 3 2HD PRO 3 -11.731 12.018 -5.623 27 2HD PRO 3 1HD PRO 3 -13.081 11.544 -4.576 28 H ALA 4 H ALA 4 -9.010 13.881 -1.612 29 HA ALA 4 HA ALA 4 -7.280 14.580 -3.770 30 1HB ALA 4 2HB ALA 4 -7.601 15.877 -1.625 31 2HB ALA 4 1HB ALA 4 -6.601 14.669 -0.818 32 3HB ALA 4 3HB ALA 4 -5.914 15.668 -2.099 33 H PHE 5 H PHE 5 -7.188 11.958 -1.433 34 HA PHE 5 HA PHE 5 -4.463 11.168 -1.735 35 1HB PHE 5 2HB PHE 5 -5.928 10.260 0.029 36 2HB PHE 5 1HB PHE 5 -6.904 9.445 -1.192 37 HD1 PHE 5 HD2 PHE 5 -3.486 9.612 0.289 38 HD2 PHE 5 HD1 PHE 5 -6.237 7.359 -2.120 39 HE1 PHE 5 HE2 PHE 5 -1.933 7.675 0.326 40 HE2 PHE 5 HE1 PHE 5 -4.685 5.426 -2.088 41 HZ PHE 5 HZ PHE 5 -2.533 5.583 -0.865 42 H VAL 6 H VAL 6 -7.390 10.109 -3.518 43 HA VAL 6 HA VAL 6 -5.956 8.326 -5.258 44 HB VAL 6 HB VAL 6 -8.563 9.736 -5.883 45 1HG1 VAL 6 1HG1 VAL 6 -7.292 8.428 -7.675 46 2HG1 VAL 6 3HG1 VAL 6 -7.592 6.989 -6.699 47 3HG1 VAL 6 2HG1 VAL 6 -8.946 7.900 -7.367 48 1HG2 VAL 6 2HG2 VAL 6 -8.148 8.254 -3.622 49 2HG2 VAL 6 1HG2 VAL 6 -9.688 8.327 -4.473 50 3HG2 VAL 6 3HG2 VAL 6 -8.582 6.987 -4.766 51 H ASN 7 H ASN 7 -6.665 11.779 -5.382 52 HA ASN 7 HA ASN 7 -5.978 12.227 -8.130 53 1HB ASN 7 2HB ASN 7 -5.937 13.959 -5.659 54 2HB ASN 7 1HB ASN 7 -5.330 14.571 -7.199 55 1HD2 ASN 7 2HD2 ASN 7 -8.567 14.641 -8.738 56 2HD2 ASN 7 1HD2 ASN 7 -6.908 14.516 -9.068 57 H LYS 8 H LYS 8 -4.063 11.822 -5.221 58 HA LYS 8 HA LYS 8 -1.551 12.524 -6.604 59 1HB LYS 8 2HB LYS 8 -1.098 11.087 -4.108 60 2HB LYS 8 1HB LYS 8 -0.629 12.722 -4.544 61 1HG LYS 8 2HG LYS 8 -2.906 13.515 -3.914 62 2HG LYS 8 1HG LYS 8 -3.318 11.873 -3.419 63 1HD LYS 8 2HD LYS 8 -2.640 12.784 -1.392 64 2HD LYS 8 1HD LYS 8 -1.132 12.071 -1.966 65 1HE LYS 8 2HE LYS 8 -0.952 14.495 -3.145 66 2HE LYS 8 1HE LYS 8 -1.905 14.933 -1.726 67 1HZ LYS 8 2HZ LYS 8 0.547 13.293 -1.522 68 2HZ LYS 8 1HZ LYS 8 0.601 14.991 -1.491 69 3HZ LYS 8 3HZ LYS 8 -0.255 14.149 -0.293 70 H LEU 9 H LEU 9 -3.474 9.713 -5.933 71 HA LEU 9 HA LEU 9 -1.493 7.667 -6.200 72 1HB LEU 9 2HB LEU 9 -3.784 7.304 -5.313 73 2HB LEU 9 1HB LEU 9 -4.445 7.629 -6.913 74 HG LEU 9 HG LEU 9 -2.872 5.710 -7.703 75 1HD1 LEU 9 2HD1 LEU 9 -1.688 5.663 -5.456 76 2HD1 LEU 9 1HD1 LEU 9 -3.157 4.957 -4.783 77 3HD1 LEU 9 3HD1 LEU 9 -2.258 4.096 -6.032 78 1HD2 LEU 9 2HD2 LEU 9 -5.325 5.250 -5.974 79 2HD2 LEU 9 1HD2 LEU 9 -5.299 5.522 -7.715 80 3HD2 LEU 9 3HD2 LEU 9 -4.628 4.034 -7.045 81 H TRP 10 H TRP 10 -3.582 9.304 -8.561 82 HA TRP 10 HA TRP 10 -2.395 7.783 -10.783 83 1HB TRP 10 2HB TRP 10 -4.543 9.908 -10.619 84 2HB TRP 10 1HB TRP 10 -3.972 9.242 -12.149 85 HD1 TRP 10 HD1 TRP 10 -3.656 6.227 -11.415 86 HE1 TRP 10 HE1 TRP 10 -5.723 4.774 -10.906 87 HE3 TRP 10 HE3 TRP 10 -7.020 9.865 -10.178 88 HZ2 TRP 10 HZ2 TRP 10 -8.440 5.105 -10.090 89 HZ3 TRP 10 HZ3 TRP 10 -9.333 9.261 -9.534 90 HH2 TRP 10 HH2 TRP 10 -10.051 6.893 -9.494 91 H SER 11 H SER 11 -0.354 9.030 -9.675 92 HA SER 11 HA SER 11 0.487 10.966 -11.701 93 1HB SER 11 2HB SER 11 0.528 11.712 -8.760 94 2HB SER 11 1HB SER 11 1.156 12.682 -10.089 95 HG SER 11 HG SER 11 -0.958 13.313 -9.459 96 H MET 12 H MET 12 1.266 9.468 -8.557 97 HA MET 12 HA MET 12 4.077 9.169 -9.452 98 1HB MET 12 2HB MET 12 4.095 7.948 -7.010 99 2HB MET 12 1HB MET 12 4.444 9.649 -7.264 100 1HG MET 12 2HG MET 12 2.873 9.573 -5.484 101 2HG MET 12 1HG MET 12 1.944 10.071 -6.891 102 1HE MET 12 1HE MET 12 2.901 7.906 -4.341 103 2HE MET 12 3HE MET 12 1.297 7.310 -3.892 104 3HE MET 12 2HE MET 12 2.433 6.252 -4.725 105 H VAL 13 H VAL 13 1.156 7.285 -8.951 106 HA VAL 13 HA VAL 13 2.439 4.689 -8.980 107 HB VAL 13 HB VAL 13 -0.381 5.498 -9.791 108 1HG1 VAL 13 1HG1 VAL 13 0.321 3.312 -10.761 109 2HG1 VAL 13 3HG1 VAL 13 0.739 2.750 -9.142 110 3HG1 VAL 13 2HG1 VAL 13 -0.938 3.121 -9.541 111 1HG2 VAL 13 2HG2 VAL 13 0.822 4.445 -7.217 112 2HG2 VAL 13 1HG2 VAL 13 -0.010 5.976 -7.460 113 3HG2 VAL 13 3HG2 VAL 13 -0.912 4.466 -7.538 114 H ASN 14 H ASN 14 0.618 6.398 -11.558 115 HA ASN 14 HA ASN 14 1.946 4.715 -13.592 116 1HB ASN 14 2HB ASN 14 0.427 5.935 -15.174 117 2HB ASN 14 1HB ASN 14 -0.441 5.110 -13.880 118 1HD2 ASN 14 2HD2 ASN 14 -2.077 8.147 -13.161 119 2HD2 ASN 14 1HD2 ASN 14 -2.217 6.495 -13.526 120 H ASP 15 H ASP 15 3.850 6.232 -12.358 121 HA ASP 15 HA ASP 15 4.316 8.551 -14.178 122 1HB ASP 15 2HB ASP 15 4.430 8.536 -11.471 123 2HB ASP 15 1HB ASP 15 6.101 8.112 -11.843 124 H LYS 16 H LYS 16 6.542 8.812 -14.987 125 HA LYS 16 HA LYS 16 7.649 6.232 -15.847 126 1HB LYS 16 2HB LYS 16 8.622 9.038 -16.451 127 2HB LYS 16 1HB LYS 16 9.065 7.564 -17.311 128 1HG LYS 16 2HG LYS 16 6.672 7.249 -17.937 129 2HG LYS 16 1HG LYS 16 6.294 8.785 -17.157 130 1HD LYS 16 2HD LYS 16 6.599 9.481 -19.356 131 2HD LYS 16 1HD LYS 16 8.227 9.695 -18.712 132 1HE LYS 16 2HE LYS 16 8.727 7.330 -19.501 133 2HE LYS 16 1HE LYS 16 7.189 7.383 -20.363 134 1HZ LYS 16 3HZ LYS 16 9.284 9.447 -20.703 135 2HZ LYS 16 2HZ LYS 16 9.206 8.054 -21.671 136 3HZ LYS 16 1HZ LYS 16 7.925 9.169 -21.679 137 H SER 17 H SER 17 8.310 8.560 -13.362 138 HA SER 17 HA SER 17 11.144 7.903 -13.110 139 1HB SER 17 2HB SER 17 9.504 9.953 -12.174 140 2HB SER 17 1HB SER 17 9.910 9.045 -10.721 141 HG SER 17 HG SER 17 11.412 10.769 -11.963 142 H ASN 18 H ASN 18 8.134 6.929 -11.501 143 HA ASN 18 HA ASN 18 9.697 4.989 -9.856 144 1HB ASN 18 2HB ASN 18 6.747 5.600 -9.568 145 2HB ASN 18 1HB ASN 18 7.826 4.865 -8.384 146 1HD2 ASN 18 2HD2 ASN 18 7.368 8.818 -8.312 147 2HD2 ASN 18 1HD2 ASN 18 6.305 7.745 -9.087 148 H GLU 19 H GLU 19 9.126 4.662 -12.740 149 HA GLU 19 HA GLU 19 6.975 2.813 -13.145 150 1HB GLU 19 2HB GLU 19 8.199 4.063 -14.953 151 2HB GLU 19 1HB GLU 19 9.568 2.979 -14.705 152 1HG GLU 19 2HG GLU 19 8.486 1.810 -16.372 153 2HG GLU 19 1HG GLU 19 7.655 1.127 -14.973 154 H LYS 20 H LYS 20 10.455 2.294 -12.519 155 HA LYS 20 HA LYS 20 10.181 -0.600 -12.513 156 1HB LYS 20 2HB LYS 20 12.294 1.122 -12.767 157 2HB LYS 20 1HB LYS 20 12.500 0.569 -11.106 158 1HG LYS 20 2HG LYS 20 11.875 -1.763 -12.526 159 2HG LYS 20 1HG LYS 20 12.946 -0.873 -13.607 160 1HD LYS 20 2HD LYS 20 13.606 -1.261 -10.684 161 2HD LYS 20 1HD LYS 20 14.064 -2.447 -11.907 162 1HE LYS 20 2HE LYS 20 14.822 0.490 -11.934 163 2HE LYS 20 1HE LYS 20 15.897 -0.843 -11.510 164 1HZ LYS 20 1HZ LYS 20 15.165 -1.739 -13.818 165 2HZ LYS 20 3HZ LYS 20 14.779 -0.117 -14.129 166 3HZ LYS 20 2HZ LYS 20 16.371 -0.547 -13.719 167 H PHE 21 H PHE 21 9.216 1.708 -10.247 168 HA PHE 21 HA PHE 21 9.700 -0.163 -7.973 169 1HB PHE 21 2HB PHE 21 9.130 2.803 -8.081 170 2HB PHE 21 1HB PHE 21 9.028 1.877 -6.584 171 HD1 PHE 21 HD1 PHE 21 11.149 0.143 -6.351 172 HD2 PHE 21 HD2 PHE 21 11.151 3.913 -8.412 173 HE1 PHE 21 HE1 PHE 21 13.611 0.285 -6.089 174 HE2 PHE 21 HE2 PHE 21 13.614 4.054 -8.149 175 HZ PHE 21 HZ PHE 21 14.844 2.240 -6.987 176 H ILE 22 H ILE 22 7.229 1.092 -10.038 177 HA ILE 22 HA ILE 22 5.224 -0.602 -8.852 178 HB ILE 22 HB ILE 22 5.230 1.200 -7.161 179 1HG1 ILE 22 2HG1 ILE 22 2.747 1.473 -8.869 180 2HG1 ILE 22 1HG1 ILE 22 3.100 0.011 -7.948 181 1HG2 ILE 22 1HG2 ILE 22 5.998 2.958 -8.860 182 2HG2 ILE 22 3HG2 ILE 22 4.307 3.067 -9.351 183 3HG2 ILE 22 2HG2 ILE 22 4.773 3.472 -7.698 184 1HD1 ILE 22 1HD1 ILE 22 3.511 1.957 -6.056 185 2HD1 ILE 22 3HD1 ILE 22 2.194 2.652 -7.001 186 3HD1 ILE 22 2HD1 ILE 22 2.004 1.064 -6.258 187 H HIS 23 H HIS 23 3.642 -0.986 -10.378 188 HA HIS 23 HA HIS 23 2.923 0.954 -12.417 189 1HB HIS 23 2HB HIS 23 3.747 -0.420 -14.341 190 2HB HIS 23 1HB HIS 23 5.052 0.271 -13.378 191 HD1 HIS 23 HD1 HIS 23 3.744 -2.913 -14.614 192 HD2 HIS 23 HD2 HIS 23 6.201 -1.700 -11.472 193 HE1 HIS 23 HE1 HIS 23 4.939 -4.992 -13.797 194 H TRP 24 H TRP 24 1.274 0.047 -13.903 195 HA TRP 24 HA TRP 24 -0.424 -1.890 -12.489 196 1HB TRP 24 2HB TRP 24 -0.845 -0.422 -15.111 197 2HB TRP 24 1HB TRP 24 -2.067 -1.366 -14.260 198 HD1 TRP 24 HD1 TRP 24 0.119 1.771 -13.783 199 HE1 TRP 24 HE1 TRP 24 -1.091 3.357 -12.151 200 HE3 TRP 24 HE3 TRP 24 -3.859 -1.159 -12.485 201 HZ2 TRP 24 HZ2 TRP 24 -3.433 3.382 -10.509 202 HZ3 TRP 24 HZ3 TRP 24 -5.562 -0.330 -10.887 203 HH2 TRP 24 HH2 TRP 24 -5.355 1.935 -9.898 204 H SER 25 H SER 25 -0.773 -3.998 -13.125 205 HA SER 25 HA SER 25 1.110 -5.317 -14.830 206 1HB SER 25 2HB SER 25 -0.047 -6.570 -13.104 207 2HB SER 25 1HB SER 25 -1.614 -6.181 -13.811 208 HG SER 25 HG SER 25 0.034 -8.195 -14.390 209 H THR 26 H THR 26 -2.420 -5.105 -15.368 210 HA THR 26 HA THR 26 -1.871 -5.045 -18.303 211 HB THR 26 HB THR 26 -4.578 -5.530 -17.063 212 HG1 THR 26 HG1 THR 26 -3.979 -7.431 -16.431 213 1HG2 THR 26 3HG2 THR 26 -3.263 -5.827 -19.699 214 2HG2 THR 26 2HG2 THR 26 -4.319 -7.159 -19.228 215 3HG2 THR 26 1HG2 THR 26 -4.956 -5.516 -19.311 216 H SER 27 H SER 27 -3.622 -3.706 -19.533 217 HA SER 27 HA SER 27 -3.420 -0.980 -18.750 218 1HB SER 27 2HB SER 27 -4.482 -2.434 -20.958 219 2HB SER 27 1HB SER 27 -5.749 -1.345 -20.403 220 HG SER 27 HG SER 27 -3.367 -0.806 -21.632 221 H GLY 28 H GLY 28 -4.159 -0.681 -16.617 222 1HA GLY 28 2HA GLY 28 -5.748 -0.201 -14.958 223 2HA GLY 28 1HA GLY 28 -6.928 -0.073 -16.264 224 H GLU 29 H GLU 29 -5.658 -2.114 -13.765 225 HA GLU 29 HA GLU 29 -7.987 -3.827 -13.841 226 1HB GLU 29 2HB GLU 29 -6.366 -4.647 -15.737 227 2HB GLU 29 1HB GLU 29 -5.435 -5.315 -14.396 228 1HG GLU 29 2HG GLU 29 -7.401 -6.553 -13.612 229 2HG GLU 29 1HG GLU 29 -8.376 -5.853 -14.906 230 H SER 30 H SER 30 -4.551 -4.279 -12.946 231 HA SER 30 HA SER 30 -5.254 -4.059 -10.089 232 1HB SER 30 2HB SER 30 -4.384 -6.251 -9.508 233 2HB SER 30 1HB SER 30 -5.648 -6.461 -10.717 234 HG SER 30 HG SER 30 -2.862 -6.704 -10.949 235 H ILE 31 H ILE 31 -3.543 -3.210 -8.958 236 HA ILE 31 HA ILE 31 -1.127 -2.520 -10.483 237 HB ILE 31 HB ILE 31 -1.809 -1.941 -7.586 238 1HG1 ILE 31 2HG1 ILE 31 -2.046 -0.015 -9.896 239 2HG1 ILE 31 1HG1 ILE 31 -3.386 -1.082 -9.473 240 1HG2 ILE 31 3HG2 ILE 31 0.210 -0.733 -9.507 241 2HG2 ILE 31 2HG2 ILE 31 -0.138 -0.115 -7.892 242 3HG2 ILE 31 1HG2 ILE 31 0.579 -1.714 -8.087 243 1HD1 ILE 31 1HD1 ILE 31 -2.102 0.426 -7.246 244 2HD1 ILE 31 3HD1 ILE 31 -3.102 1.348 -8.370 245 3HD1 ILE 31 2HD1 ILE 31 -3.795 -0.008 -7.479 246 H VAL 32 H VAL 32 1.019 -3.089 -9.790 247 HA VAL 32 HA VAL 32 1.129 -5.520 -8.048 248 HB VAL 32 HB VAL 32 2.832 -4.974 -10.500 249 1HG1 VAL 32 1HG1 VAL 32 2.683 -7.177 -8.455 250 2HG1 VAL 32 3HG1 VAL 32 3.225 -7.531 -10.096 251 3HG1 VAL 32 2HG1 VAL 32 4.105 -6.365 -9.108 252 1HG2 VAL 32 1HG2 VAL 32 0.509 -6.887 -10.096 253 2HG2 VAL 32 3HG2 VAL 32 0.493 -5.449 -11.117 254 3HG2 VAL 32 2HG2 VAL 32 1.531 -6.814 -11.531 255 H VAL 33 H VAL 33 2.937 -5.644 -6.662 256 HA VAL 33 HA VAL 33 4.635 -3.181 -6.561 257 HB VAL 33 HB VAL 33 3.793 -4.896 -4.209 258 1HG1 VAL 33 1HG1 VAL 33 5.119 -2.175 -4.393 259 2HG1 VAL 33 3HG1 VAL 33 4.645 -2.980 -2.896 260 3HG1 VAL 33 2HG1 VAL 33 5.908 -3.676 -3.911 261 1HG2 VAL 33 3HG2 VAL 33 2.147 -3.166 -5.645 262 2HG2 VAL 33 2HG2 VAL 33 1.904 -3.663 -3.971 263 3HG2 VAL 33 1HG2 VAL 33 2.746 -2.156 -4.330 264 HA PRO 34 HA PRO 34 7.270 -6.902 -7.185 265 1HB PRO 34 2HB PRO 34 9.180 -5.647 -8.702 266 2HB PRO 34 1HB PRO 34 7.742 -6.422 -9.386 267 1HG PRO 34 2HG PRO 34 8.329 -3.525 -9.044 268 2HG PRO 34 1HG PRO 34 7.280 -4.327 -10.225 269 1HD PRO 34 2HD PRO 34 6.419 -2.979 -7.899 270 2HD PRO 34 1HD PRO 34 5.437 -4.062 -8.902 271 H ASN 35 H ASN 35 7.876 -3.594 -6.206 272 HA ASN 35 HA ASN 35 9.931 -4.585 -4.295 273 1HB ASN 35 2HB ASN 35 10.180 -2.166 -6.106 274 2HB ASN 35 1HB ASN 35 11.231 -2.464 -4.721 275 1HD2 ASN 35 2HD2 ASN 35 12.139 -4.230 -8.166 276 2HD2 ASN 35 1HD2 ASN 35 11.119 -2.881 -8.020 277 H ARG 36 H ARG 36 8.117 -4.436 -2.789 278 HA ARG 36 HA ARG 36 6.774 -1.904 -2.318 279 1HB ARG 36 2HB ARG 36 6.018 -4.340 -1.721 280 2HB ARG 36 1HB ARG 36 6.979 -4.094 -0.265 281 1HG ARG 36 2HG ARG 36 5.384 -1.745 -0.672 282 2HG ARG 36 1HG ARG 36 4.330 -3.151 -0.817 283 1HD ARG 36 2HD ARG 36 5.825 -3.848 1.365 284 2HD ARG 36 1HD ARG 36 5.746 -2.097 1.553 285 HE ARG 36 HE ARG 36 3.135 -3.159 0.954 286 1HH1 ARG 36 1HH2 ARG 36 5.028 -4.418 3.319 287 2HH1 ARG 36 2HH2 ARG 36 4.124 -3.809 4.665 288 1HH2 ARG 36 2HH1 ARG 36 2.167 -1.696 2.735 289 2HH2 ARG 36 1HH1 ARG 36 2.504 -2.269 4.334 290 H GLU 37 H GLU 37 9.543 -3.588 -0.893 291 HA GLU 37 HA GLU 37 9.904 -1.767 1.313 292 1HB GLU 37 2HB GLU 37 10.890 -4.072 1.165 293 2HB GLU 37 1HB GLU 37 12.008 -3.466 -0.057 294 1HG GLU 37 2HG GLU 37 13.285 -3.195 1.867 295 2HG GLU 37 1HG GLU 37 12.503 -1.616 1.767 296 H ARG 38 H ARG 38 11.662 -2.064 -1.802 297 HA ARG 38 HA ARG 38 13.219 0.311 -1.443 298 1HB ARG 38 2HB ARG 38 12.719 -1.637 -3.553 299 2HB ARG 38 1HB ARG 38 12.862 -0.008 -4.212 300 1HG ARG 38 2HG ARG 38 15.079 -0.952 -4.150 301 2HG ARG 38 1HG ARG 38 14.987 0.251 -2.864 302 1HD ARG 38 2HD ARG 38 14.886 -1.369 -1.176 303 2HD ARG 38 1HD ARG 38 14.314 -2.620 -2.278 304 HE ARG 38 HE ARG 38 17.131 -1.649 -2.124 305 1HH1 ARG 38 1HH1 ARG 38 16.102 -4.677 -4.374 306 2HH1 ARG 38 2HH1 ARG 38 15.191 -3.206 -4.319 307 1HH2 ARG 38 1HH2 ARG 38 18.119 -3.839 -1.682 308 2HH2 ARG 38 2HH2 ARG 38 17.761 -5.037 -2.881 309 H PHE 39 H PHE 39 9.972 -0.228 -2.658 310 HA PHE 39 HA PHE 39 9.567 2.272 -3.968 311 1HB PHE 39 2HB PHE 39 7.979 0.493 -4.302 312 2HB PHE 39 1HB PHE 39 7.652 0.377 -2.577 313 HD1 PHE 39 HD1 PHE 39 7.224 2.538 -5.583 314 HD2 PHE 39 HD2 PHE 39 6.095 1.829 -1.501 315 HE1 PHE 39 HE1 PHE 39 5.396 4.200 -5.801 316 HE2 PHE 39 HE2 PHE 39 4.265 3.491 -1.718 317 HZ PHE 39 HZ PHE 39 3.917 4.677 -3.868 318 H VAL 40 H VAL 40 8.205 1.397 -0.764 319 HA VAL 40 HA VAL 40 7.578 4.014 0.039 320 HB VAL 40 HB VAL 40 8.490 1.758 1.854 321 1HG1 VAL 40 2HG1 VAL 40 6.782 4.225 2.306 322 2HG1 VAL 40 1HG1 VAL 40 6.910 2.895 3.457 323 3HG1 VAL 40 3HG1 VAL 40 8.334 3.857 3.059 324 1HG2 VAL 40 3HG2 VAL 40 5.841 2.394 0.543 325 2HG2 VAL 40 2HG2 VAL 40 6.730 0.871 0.520 326 3HG2 VAL 40 1HG2 VAL 40 5.945 1.411 2.004 327 H GLN 41 H GLN 41 10.525 2.187 0.888 328 HA GLN 41 HA GLN 41 11.845 4.169 2.358 329 1HB GLN 41 2HB GLN 41 13.002 2.067 0.528 330 2HB GLN 41 1HB GLN 41 13.959 3.036 1.650 331 1HG GLN 41 2HG GLN 41 11.627 1.262 2.431 332 2HG GLN 41 1HG GLN 41 13.326 0.858 2.636 333 1HE2 GLN 41 2HE2 GLN 41 11.612 2.796 5.597 334 2HE2 GLN 41 1HE2 GLN 41 10.835 1.779 4.481 335 H GLU 42 H GLU 42 11.451 4.032 -1.147 336 HA GLU 42 HA GLU 42 13.034 6.567 -1.290 337 1HB GLU 42 2HB GLU 42 13.068 4.310 -3.310 338 2HB GLU 42 1HB GLU 42 13.915 5.847 -3.478 339 1HG GLU 42 2HG GLU 42 14.587 4.745 -0.916 340 2HG GLU 42 1HG GLU 42 14.793 3.479 -2.125 341 H VAL 43 H VAL 43 10.025 6.027 -1.249 342 HA VAL 43 HA VAL 43 9.437 7.777 -3.551 343 HB VAL 43 HB VAL 43 7.986 5.121 -3.273 344 1HG1 VAL 43 2HG1 VAL 43 7.785 7.459 -5.186 345 2HG1 VAL 43 1HG1 VAL 43 7.141 5.862 -5.572 346 3HG1 VAL 43 3HG1 VAL 43 6.506 6.758 -4.193 347 1HG2 VAL 43 2HG2 VAL 43 10.085 6.078 -5.246 348 2HG2 VAL 43 1HG2 VAL 43 10.226 4.722 -4.127 349 3HG2 VAL 43 3HG2 VAL 43 9.097 4.635 -5.479 350 H LEU 44 H LEU 44 8.133 6.034 -0.704 351 HA LEU 44 HA LEU 44 5.675 7.499 -0.593 352 1HB LEU 44 2HB LEU 44 6.352 5.373 0.720 353 2HB LEU 44 1HB LEU 44 7.078 6.484 1.877 354 HG LEU 44 HG LEU 44 4.891 7.664 2.065 355 1HD1 LEU 44 3HD1 LEU 44 4.239 5.730 -0.085 356 2HD1 LEU 44 2HD1 LEU 44 3.004 5.915 1.160 357 3HD1 LEU 44 1HD1 LEU 44 3.551 7.321 0.247 358 1HD2 LEU 44 1HD2 LEU 44 5.669 5.591 3.462 359 2HD2 LEU 44 3HD2 LEU 44 3.989 6.114 3.579 360 3HD2 LEU 44 2HD2 LEU 44 4.414 4.733 2.568 361 HA PRO 45 HA PRO 45 7.829 10.565 2.234 362 1HB PRO 45 2HB PRO 45 10.564 10.647 2.403 363 2HB PRO 45 1HB PRO 45 9.541 9.713 3.510 364 1HG PRO 45 2HG PRO 45 11.249 8.752 1.267 365 2HG PRO 45 1HG PRO 45 10.755 7.910 2.746 366 1HD PRO 45 2HD PRO 45 9.631 7.530 0.190 367 2HD PRO 45 1HD PRO 45 8.934 6.994 1.728 368 H LYS 46 H LYS 46 9.155 9.716 -0.853 369 HA LYS 46 HA LYS 46 10.400 12.235 -1.486 370 1HB LYS 46 2HB LYS 46 9.540 9.803 -2.994 371 2HB LYS 46 1HB LYS 46 9.857 11.272 -3.916 372 1HG LYS 46 2HG LYS 46 12.072 11.443 -2.701 373 2HG LYS 46 1HG LYS 46 11.757 9.838 -2.044 374 1HD LYS 46 2HD LYS 46 11.481 9.019 -4.423 375 2HD LYS 46 1HD LYS 46 12.059 10.595 -4.960 376 1HE LYS 46 2HE LYS 46 13.883 9.676 -2.972 377 2HE LYS 46 1HE LYS 46 13.601 8.336 -4.083 378 1HZ LYS 46 3HZ LYS 46 14.090 11.039 -5.136 379 2HZ LYS 46 2HZ LYS 46 15.399 10.080 -4.633 380 3HZ LYS 46 1HZ LYS 46 14.370 9.536 -5.871 381 H TYR 47 H TYR 47 7.087 11.128 -1.493 382 HA TYR 47 HA TYR 47 6.278 13.672 -2.850 383 1HB TYR 47 2HB TYR 47 4.924 10.969 -2.745 384 2HB TYR 47 1HB TYR 47 4.109 12.430 -3.306 385 HD1 TYR 47 HD2 TYR 47 7.106 10.280 -3.895 386 HD2 TYR 47 HD1 TYR 47 4.431 13.231 -5.505 387 HE1 TYR 47 HE2 TYR 47 8.144 10.003 -6.131 388 HE2 TYR 47 HE1 TYR 47 5.469 12.954 -7.740 389 HH TYR 47 HH TYR 47 8.395 11.211 -8.204 390 H PHE 48 H PHE 48 6.036 11.777 0.052 391 HA PHE 48 HA PHE 48 3.919 13.612 1.087 392 1HB PHE 48 2HB PHE 48 4.761 10.851 2.020 393 2HB PHE 48 1HB PHE 48 3.555 11.853 2.825 394 HD1 PHE 48 HD2 PHE 48 4.380 10.352 -0.504 395 HD2 PHE 48 HD1 PHE 48 1.310 11.785 2.135 396 HE1 PHE 48 HE2 PHE 48 2.650 9.536 -2.079 397 HE2 PHE 48 HE1 PHE 48 -0.423 10.968 0.557 398 HZ PHE 48 HZ PHE 48 0.248 9.845 -1.549 399 H LYS 49 H LYS 49 4.262 13.529 3.737 400 HA LYS 49 HA LYS 49 7.128 14.229 4.223 401 1HB LYS 49 2HB LYS 49 4.700 15.880 4.530 402 2HB LYS 49 1HB LYS 49 5.769 15.890 5.931 403 1HG LYS 49 2HG LYS 49 7.021 16.193 3.238 404 2HG LYS 49 1HG LYS 49 6.139 17.573 3.893 405 1HD LYS 49 2HD LYS 49 7.503 17.571 5.897 406 2HD LYS 49 1HD LYS 49 8.299 16.076 5.403 407 1HE LYS 49 2HE LYS 49 9.566 17.124 3.772 408 2HE LYS 49 1HE LYS 49 8.383 18.410 3.531 409 1HZ LYS 49 2HZ LYS 49 9.854 18.149 6.077 410 2HZ LYS 49 1HZ LYS 49 10.538 18.968 4.757 411 3HZ LYS 49 3HZ LYS 49 9.081 19.516 5.431 412 H HIS 50 H HIS 50 4.026 13.694 5.954 413 HA HIS 50 HA HIS 50 5.587 12.129 7.973 414 1HB HIS 50 2HB HIS 50 3.112 13.842 8.338 415 2HB HIS 50 1HB HIS 50 3.778 12.790 9.588 416 HD1 HIS 50 HD1 HIS 50 6.093 13.452 10.610 417 HD2 HIS 50 HD2 HIS 50 4.609 16.208 7.855 418 HE1 HIS 50 HE1 HIS 50 7.495 15.546 10.865 419 H SER 51 H SER 51 4.479 10.981 5.577 420 HA SER 51 HA SER 51 2.216 9.376 6.698 421 1HB SER 51 2HB SER 51 2.944 10.148 3.877 422 2HB SER 51 1HB SER 51 1.906 8.763 4.198 423 HG SER 51 HG SER 51 0.603 10.553 3.979 424 H ASN 52 H ASN 52 2.558 7.208 6.981 425 HA ASN 52 HA ASN 52 5.152 6.104 5.984 426 1HB ASN 52 2HB ASN 52 3.873 6.054 8.574 427 2HB ASN 52 1HB ASN 52 4.063 4.403 7.987 428 1HD2 ASN 52 2HD2 ASN 52 7.333 6.524 9.128 429 2HD2 ASN 52 1HD2 ASN 52 5.779 7.205 9.182 430 H PHE 53 H PHE 53 4.990 3.599 5.726 431 HA PHE 53 HA PHE 53 3.293 2.945 3.594 432 1HB PHE 53 2HB PHE 53 3.852 0.590 4.081 433 2HB PHE 53 1HB PHE 53 5.277 1.618 4.214 434 HD1 PHE 53 HD1 PHE 53 6.221 2.187 6.430 435 HD2 PHE 53 HD2 PHE 53 2.851 -0.448 6.032 436 HE1 PHE 53 HE1 PHE 53 6.536 1.427 8.768 437 HE2 PHE 53 HE2 PHE 53 3.167 -1.207 8.371 438 HZ PHE 53 HZ PHE 53 5.011 -0.270 9.740 439 H ALA 54 H ALA 54 2.712 2.523 7.064 440 HA ALA 54 HA ALA 54 0.330 0.958 6.843 441 1HB ALA 54 1HB ALA 54 1.859 1.728 8.924 442 2HB ALA 54 3HB ALA 54 0.542 2.888 9.096 443 3HB ALA 54 2HB ALA 54 0.202 1.158 9.123 444 H SER 55 H SER 55 0.827 4.481 6.930 445 HA SER 55 HA SER 55 -1.988 5.129 7.007 446 1HB SER 55 2HB SER 55 -0.212 6.729 7.678 447 2HB SER 55 1HB SER 55 0.336 6.802 6.005 448 HG SER 55 HG SER 55 -1.063 8.426 6.060 449 H PHE 56 H PHE 56 0.318 4.533 4.404 450 HA PHE 56 HA PHE 56 -1.319 5.538 2.267 451 1HB PHE 56 2HB PHE 56 1.187 4.945 2.212 452 2HB PHE 56 1HB PHE 56 0.658 3.276 1.984 453 HD1 PHE 56 HD2 PHE 56 -0.998 2.794 0.080 454 HD2 PHE 56 HD1 PHE 56 1.251 6.438 0.384 455 HE1 PHE 56 HE2 PHE 56 -1.398 3.240 -2.326 456 HE2 PHE 56 HE1 PHE 56 0.851 6.886 -2.018 457 HZ PHE 56 HZ PHE 56 -0.474 5.289 -3.376 458 H VAL 57 H VAL 57 -0.921 2.280 3.659 459 HA VAL 57 HA VAL 57 -2.751 0.985 1.864 460 HB VAL 57 HB VAL 57 -2.050 0.208 4.714 461 1HG1 VAL 57 1HG1 VAL 57 -3.467 -1.118 2.439 462 2HG1 VAL 57 3HG1 VAL 57 -2.424 -2.116 3.452 463 3HG1 VAL 57 2HG1 VAL 57 -3.773 -1.238 4.172 464 1HG2 VAL 57 3HG2 VAL 57 -0.181 0.585 2.870 465 2HG2 VAL 57 2HG2 VAL 57 -0.129 -0.833 3.916 466 3HG2 VAL 57 1HG2 VAL 57 -0.761 -0.970 2.275 467 H ARG 58 H ARG 58 -3.152 2.802 4.849 468 HA ARG 58 HA ARG 58 -5.847 2.026 5.432 469 1HB ARG 58 2HB ARG 58 -4.063 4.303 6.163 470 2HB ARG 58 1HB ARG 58 -5.797 4.521 6.411 471 1HG ARG 58 2HG ARG 58 -4.538 1.968 7.336 472 2HG ARG 58 1HG ARG 58 -4.289 3.424 8.299 473 1HD ARG 58 2HD ARG 58 -7.026 2.509 7.395 474 2HD ARG 58 1HD ARG 58 -6.322 2.034 8.940 475 HE ARG 58 HE ARG 58 -7.388 4.669 8.282 476 1HH1 ARG 58 1HH2 ARG 58 -6.694 2.707 10.808 477 2HH1 ARG 58 2HH2 ARG 58 -5.966 3.906 11.823 478 1HH2 ARG 58 2HH1 ARG 58 -5.790 6.299 9.320 479 2HH2 ARG 58 1HH1 ARG 58 -5.454 5.941 10.980 480 H GLN 59 H GLN 59 -4.500 4.671 3.462 481 HA GLN 59 HA GLN 59 -7.011 5.858 2.754 482 1HB GLN 59 2HB GLN 59 -4.319 5.822 1.362 483 2HB GLN 59 1HB GLN 59 -5.691 6.753 0.770 484 1HG GLN 59 2HG GLN 59 -4.445 7.034 3.520 485 2HG GLN 59 1HG GLN 59 -4.192 8.139 2.169 486 1HE2 GLN 59 2HE2 GLN 59 -7.806 9.081 2.304 487 2HE2 GLN 59 1HE2 GLN 59 -6.792 8.387 1.135 488 H LEU 60 H LEU 60 -5.039 3.325 1.240 489 HA LEU 60 HA LEU 60 -6.635 2.946 -1.097 490 1HB LEU 60 2HB LEU 60 -4.850 1.064 0.462 491 2HB LEU 60 1HB LEU 60 -5.594 0.630 -1.067 492 HG LEU 60 HG LEU 60 -3.800 3.037 -0.662 493 1HD1 LEU 60 1HD1 LEU 60 -3.267 0.202 -1.416 494 2HD1 LEU 60 3HD1 LEU 60 -2.415 1.448 -2.328 495 3HD1 LEU 60 2HD1 LEU 60 -2.231 1.356 -0.577 496 1HD2 LEU 60 2HD2 LEU 60 -5.176 1.796 -3.052 497 2HD2 LEU 60 1HD2 LEU 60 -5.252 3.468 -2.499 498 3HD2 LEU 60 3HD2 LEU 60 -3.773 2.848 -3.235 499 H ASN 61 H ASN 61 -6.995 1.840 2.206 500 HA ASN 61 HA ASN 61 -8.971 -0.207 1.706 501 1HB ASN 61 2HB ASN 61 -8.048 1.335 4.116 502 2HB ASN 61 1HB ASN 61 -9.504 0.346 4.217 503 1HD2 ASN 61 2HD2 ASN 61 -7.647 -2.595 4.635 504 2HD2 ASN 61 1HD2 ASN 61 -9.094 -1.744 4.889 505 H MET 62 H MET 62 -9.215 3.185 2.798 506 HA MET 62 HA MET 62 -12.038 3.279 3.036 507 1HB MET 62 2HB MET 62 -9.841 5.252 2.806 508 2HB MET 62 1HB MET 62 -11.437 5.841 2.343 509 1HG MET 62 2HG MET 62 -12.348 5.028 4.502 510 2HG MET 62 1HG MET 62 -10.733 4.495 4.969 511 1HE MET 62 1HE MET 62 -10.735 5.457 6.900 512 2HE MET 62 3HE MET 62 -9.233 6.341 6.604 513 3HE MET 62 2HE MET 62 -10.606 7.157 7.345 514 H TYR 63 H TYR 63 -10.110 3.147 0.156 515 HA TYR 63 HA TYR 63 -12.382 4.198 -1.458 516 1HB TYR 63 2HB TYR 63 -9.517 3.584 -2.237 517 2HB TYR 63 1HB TYR 63 -10.748 4.219 -3.331 518 HD1 TYR 63 HD2 TYR 63 -12.169 6.241 -2.069 519 HD2 TYR 63 HD1 TYR 63 -8.043 5.215 -1.452 520 HE1 TYR 63 HE2 TYR 63 -11.723 8.534 -1.246 521 HE2 TYR 63 HE1 TYR 63 -7.598 7.511 -0.627 522 HH TYR 63 HH TYR 63 -10.069 9.678 0.204 523 H GLY 64 H GLY 64 -10.658 1.253 -0.713 524 1HA GLY 64 2HA GLY 64 -11.802 -0.887 -1.067 525 2HA GLY 64 1HA GLY 64 -12.541 -0.202 -2.514 526 H TRP 65 H TRP 65 -9.339 -0.994 -1.170 527 HA TRP 65 HA TRP 65 -8.535 -1.988 -3.866 528 1HB TRP 65 2HB TRP 65 -7.084 -0.011 -2.106 529 2HB TRP 65 1HB TRP 65 -6.209 -1.008 -3.265 530 HD1 TRP 65 HD1 TRP 65 -8.013 2.173 -3.002 531 HE1 TRP 65 HE1 TRP 65 -8.503 3.148 -5.339 532 HE3 TRP 65 HE3 TRP 65 -6.982 -1.907 -5.897 533 HZ2 TRP 65 HZ2 TRP 65 -8.464 2.309 -8.072 534 HZ3 TRP 65 HZ3 TRP 65 -7.218 -1.791 -8.362 535 HH2 TRP 65 HH2 TRP 65 -7.958 0.311 -9.452 536 H HIS 66 H HIS 66 -8.560 -4.170 -3.229 537 HA HIS 66 HA HIS 66 -6.468 -4.944 -1.280 538 1HB HIS 66 2HB HIS 66 -9.411 -5.483 -0.955 539 2HB HIS 66 1HB HIS 66 -8.211 -6.576 -0.262 540 HD1 HIS 66 HD1 HIS 66 -6.260 -5.198 1.185 541 HD2 HIS 66 HD2 HIS 66 -9.984 -3.381 0.731 542 HE1 HIS 66 HE1 HIS 66 -6.410 -3.416 2.978 543 H LYS 67 H LYS 67 -5.320 -6.497 -2.193 544 HA LYS 67 HA LYS 67 -4.652 -8.042 -3.831 545 1HB LYS 67 2HB LYS 67 -5.347 -10.204 -3.208 546 2HB LYS 67 1HB LYS 67 -5.536 -9.243 -1.749 547 1HG LYS 67 2HG LYS 67 -8.010 -9.004 -3.024 548 2HG LYS 67 1HG LYS 67 -7.553 -10.678 -3.308 549 1HD LYS 67 2HD LYS 67 -6.877 -10.442 -0.688 550 2HD LYS 67 1HD LYS 67 -8.226 -9.308 -0.763 551 1HE LYS 67 2HE LYS 67 -9.707 -11.004 -1.615 552 2HE LYS 67 1HE LYS 67 -8.372 -12.131 -1.847 553 1HZ LYS 67 3HZ LYS 67 -8.000 -11.989 0.599 554 2HZ LYS 67 2HZ LYS 67 -9.458 -11.125 0.722 555 3HZ LYS 67 1HZ LYS 67 -9.460 -12.727 0.151 556 H VAL 68 H VAL 68 -6.210 -10.083 -5.112 557 HA VAL 68 HA VAL 68 -7.620 -8.407 -7.142 558 HB VAL 68 HB VAL 68 -7.076 -10.239 -8.735 559 1HG1 VAL 68 2HG1 VAL 68 -5.505 -8.252 -8.107 560 2HG1 VAL 68 1HG1 VAL 68 -4.529 -9.487 -7.314 561 3HG1 VAL 68 3HG1 VAL 68 -4.839 -9.587 -9.048 562 1HG2 VAL 68 2HG2 VAL 68 -6.984 -12.000 -6.882 563 2HG2 VAL 68 1HG2 VAL 68 -5.699 -12.092 -8.085 564 3HG2 VAL 68 3HG2 VAL 68 -5.376 -11.383 -6.503 565 H GLN 69 H GLN 69 -9.051 -10.277 -8.496 566 HA GLN 69 HA GLN 69 -10.957 -11.267 -6.424 567 1HB GLN 69 2HB GLN 69 -12.610 -11.266 -8.318 568 2HB GLN 69 1HB GLN 69 -11.961 -9.668 -7.954 569 1HG GLN 69 2HG GLN 69 -10.911 -9.502 -9.963 570 2HG GLN 69 1HG GLN 69 -10.359 -11.176 -9.917 571 1HE2 GLN 69 2HE2 GLN 69 -14.180 -10.552 -11.331 572 2HE2 GLN 69 1HE2 GLN 69 -13.617 -9.601 -10.043 573 H ASP 70 H ASP 70 -9.176 -13.085 -6.370 574 HA ASP 70 HA ASP 70 -10.098 -15.224 -8.232 575 1HB ASP 70 2HB ASP 70 -7.598 -14.018 -8.420 576 2HB ASP 70 1HB ASP 70 -7.269 -15.476 -7.489 577 H VAL 71 H VAL 71 -11.400 -15.686 -6.246 578 HA VAL 71 HA VAL 71 -11.825 -16.961 -4.341 579 HB VAL 71 HB VAL 71 -9.212 -18.256 -5.183 580 1HG1 VAL 71 1HG1 VAL 71 -10.852 -18.663 -2.849 581 2HG1 VAL 71 3HG1 VAL 71 -10.985 -20.080 -3.890 582 3HG1 VAL 71 2HG1 VAL 71 -9.402 -19.537 -3.338 583 1HG2 VAL 71 3HG2 VAL 71 -11.068 -18.216 -6.878 584 2HG2 VAL 71 2HG2 VAL 71 -10.632 -19.842 -6.355 585 3HG2 VAL 71 1HG2 VAL 71 -12.084 -19.071 -5.718 586 H LYS 72 H LYS 72 -8.419 -17.438 -3.574 587 HA LYS 72 HA LYS 72 -8.568 -15.183 -1.634 588 1HB LYS 72 2HB LYS 72 -7.107 -16.968 -0.189 589 2HB LYS 72 1HB LYS 72 -8.839 -16.745 0.009 590 1HG LYS 72 2HG LYS 72 -9.356 -18.700 -1.179 591 2HG LYS 72 1HG LYS 72 -7.802 -18.729 -2.010 592 1HD LYS 72 2HD LYS 72 -6.819 -18.996 0.409 593 2HD LYS 72 1HD LYS 72 -8.449 -19.533 0.811 594 1HE LYS 72 2HE LYS 72 -8.292 -21.181 -1.090 595 2HE LYS 72 1HE LYS 72 -6.596 -20.729 -1.264 596 1HZ LYS 72 2HZ LYS 72 -7.812 -21.751 1.245 597 2HZ LYS 72 1HZ LYS 72 -6.940 -22.705 0.143 598 3HZ LYS 72 3HZ LYS 72 -6.165 -21.440 0.966 599 H SER 73 H SER 73 -6.226 -17.730 -2.590 600 HA SER 73 HA SER 73 -4.035 -15.788 -2.510 601 1HB SER 73 2HB SER 73 -2.808 -17.865 -3.549 602 2HB SER 73 1HB SER 73 -3.313 -17.920 -1.862 603 HG SER 73 HG SER 73 -4.159 -19.736 -2.657 604 H GLY 74 H GLY 74 -5.404 -17.899 -5.061 605 1HA GLY 74 2HA GLY 74 -5.921 -17.264 -7.300 606 2HA GLY 74 1HA GLY 74 -5.144 -15.706 -7.013 607 H SER 75 H SER 75 -2.688 -15.892 -6.628 608 HA SER 75 HA SER 75 -1.389 -18.165 -7.969 609 1HB SER 75 2HB SER 75 -0.175 -16.258 -9.422 610 2HB SER 75 1HB SER 75 -1.620 -17.089 -9.988 611 HG SER 75 HG SER 75 -1.626 -14.683 -8.477 612 H MET 76 H MET 76 -0.940 -17.780 -5.443 613 HA MET 76 HA MET 76 1.813 -16.777 -5.309 614 1HB MET 76 2HB MET 76 1.290 -15.313 -3.312 615 2HB MET 76 1HB MET 76 0.678 -14.697 -4.847 616 1HG MET 76 2HG MET 76 -1.519 -15.078 -4.286 617 2HG MET 76 1HG MET 76 -1.134 -16.489 -3.303 618 1HE MET 76 1HE MET 76 -1.319 -12.794 -3.734 619 2HE MET 76 3HE MET 76 -2.812 -13.294 -2.928 620 3HE MET 76 2HE MET 76 -1.700 -12.193 -2.121 621 H LEU 77 H LEU 77 1.813 -19.194 -4.978 622 HA LEU 77 HA LEU 77 0.660 -20.414 -2.661 623 1HB LEU 77 2HB LEU 77 2.806 -21.111 -4.611 624 2HB LEU 77 1HB LEU 77 2.795 -21.987 -3.080 625 HG LEU 77 HG LEU 77 0.246 -22.285 -3.552 626 1HD1 LEU 77 3HD1 LEU 77 1.352 -21.340 -6.180 627 2HD1 LEU 77 2HD1 LEU 77 0.045 -22.524 -6.165 628 3HD1 LEU 77 1HD1 LEU 77 -0.187 -20.946 -5.414 629 1HD2 LEU 77 2HD2 LEU 77 2.553 -23.699 -4.866 630 2HD2 LEU 77 1HD2 LEU 77 1.523 -24.249 -3.545 631 3HD2 LEU 77 3HD2 LEU 77 0.903 -24.225 -5.195 632 H SER 78 H SER 78 3.935 -19.088 -3.228 633 HA SER 78 HA SER 78 4.323 -19.105 -0.271 634 1HB SER 78 2HB SER 78 5.915 -20.486 -1.672 635 2HB SER 78 1HB SER 78 6.467 -18.989 -2.418 636 HG SER 78 HG SER 78 7.494 -19.966 -0.345 637 H ASN 79 H ASN 79 6.731 -17.170 -1.552 638 HA ASN 79 HA ASN 79 7.045 -14.853 -1.578 639 1HB ASN 79 2HB ASN 79 4.136 -14.797 -2.436 640 2HB ASN 79 1HB ASN 79 5.343 -13.539 -2.711 641 1HD2 ASN 79 2HD2 ASN 79 7.138 -15.651 -5.131 642 2HD2 ASN 79 1HD2 ASN 79 7.503 -14.711 -3.766 643 H ASN 80 H ASN 80 7.320 -14.293 0.574 644 HA ASN 80 HA ASN 80 4.854 -13.823 2.190 645 1HB ASN 80 2HB ASN 80 6.471 -13.820 4.142 646 2HB ASN 80 1HB ASN 80 6.324 -15.361 3.299 647 1HD2 ASN 80 2HD2 ASN 80 9.814 -13.219 2.954 648 2HD2 ASN 80 1HD2 ASN 80 8.398 -12.427 3.452 649 H ASP 81 H ASP 81 7.564 -12.210 0.709 650 HA ASP 81 HA ASP 81 6.466 -9.625 1.622 651 1HB ASP 81 2HB ASP 81 9.043 -10.765 2.546 652 2HB ASP 81 1HB ASP 81 9.102 -9.084 2.016 653 H SER 82 H SER 82 7.508 -7.793 0.423 654 HA SER 82 HA SER 82 8.183 -6.797 -1.588 655 1HB SER 82 2HB SER 82 9.701 -9.230 -2.416 656 2HB SER 82 1HB SER 82 10.176 -7.535 -2.479 657 HG SER 82 HG SER 82 10.796 -7.619 -0.428 658 H ARG 83 H ARG 83 5.804 -8.621 -1.449 659 HA ARG 83 HA ARG 83 5.389 -8.835 -4.361 660 1HB ARG 83 2HB ARG 83 5.659 -11.176 -2.539 661 2HB ARG 83 1HB ARG 83 4.337 -11.232 -3.704 662 1HG ARG 83 2HG ARG 83 7.220 -10.639 -4.428 663 2HG ARG 83 1HG ARG 83 6.465 -12.224 -4.583 664 1HD ARG 83 2HD ARG 83 4.829 -10.153 -5.818 665 2HD ARG 83 1HD ARG 83 6.454 -10.184 -6.501 666 HE ARG 83 HE ARG 83 4.509 -12.428 -6.585 667 1HH1 ARG 83 2HH1 ARG 83 6.162 -14.315 -6.883 668 2HH1 ARG 83 1HH1 ARG 83 7.189 -14.076 -8.257 669 1HH2 ARG 83 1HH2 ARG 83 6.449 -10.700 -8.557 670 2HH2 ARG 83 2HH2 ARG 83 7.351 -12.030 -9.205 671 H TRP 84 H TRP 84 3.803 -7.196 -4.003 672 HA TRP 84 HA TRP 84 1.393 -8.133 -2.493 673 1HB TRP 84 2HB TRP 84 2.378 -5.290 -2.889 674 2HB TRP 84 1HB TRP 84 0.869 -5.736 -2.098 675 HD1 TRP 84 HD1 TRP 84 4.551 -6.911 -1.715 676 HE1 TRP 84 HE1 TRP 84 5.099 -6.982 0.801 677 HE3 TRP 84 HE3 TRP 84 0.088 -5.338 0.205 678 HZ2 TRP 84 HZ2 TRP 84 3.817 -6.440 3.299 679 HZ3 TRP 84 HZ3 TRP 84 -0.221 -5.122 2.654 680 HH2 TRP 84 HH2 TRP 84 1.636 -5.671 4.203 681 H GLU 85 H GLU 85 -0.656 -7.204 -3.365 682 HA GLU 85 HA GLU 85 -0.625 -6.248 -6.144 683 1HB GLU 85 2HB GLU 85 -2.151 -8.122 -6.882 684 2HB GLU 85 1HB GLU 85 -0.497 -8.636 -6.550 685 1HG GLU 85 2HG GLU 85 -1.182 -9.370 -4.290 686 2HG GLU 85 1HG GLU 85 -2.840 -8.880 -4.638 687 H PHE 86 H PHE 86 -2.580 -5.148 -6.620 688 HA PHE 86 HA PHE 86 -4.705 -5.278 -4.524 689 1HB PHE 86 2HB PHE 86 -3.878 -2.621 -5.686 690 2HB PHE 86 1HB PHE 86 -4.765 -2.945 -4.201 691 HD1 PHE 86 HD2 PHE 86 -3.286 -4.678 -2.581 692 HD2 PHE 86 HD1 PHE 86 -1.751 -1.782 -5.357 693 HE1 PHE 86 HE2 PHE 86 -1.150 -4.598 -1.322 694 HE2 PHE 86 HE1 PHE 86 0.382 -1.702 -4.096 695 HZ PHE 86 HZ PHE 86 0.682 -3.111 -2.078 696 H GLU 87 H GLU 87 -6.774 -4.466 -5.259 697 HA GLU 87 HA GLU 87 -7.153 -3.769 -8.070 698 1HB GLU 87 2HB GLU 87 -6.927 -6.351 -7.921 699 2HB GLU 87 1HB GLU 87 -8.505 -6.302 -7.135 700 1HG GLU 87 2HG GLU 87 -8.370 -4.670 -9.583 701 2HG GLU 87 1HG GLU 87 -8.093 -6.388 -9.868 702 H ASN 88 H ASN 88 -9.530 -3.363 -8.484 703 HA ASN 88 HA ASN 88 -10.686 -1.850 -6.358 704 1HB ASN 88 2HB ASN 88 -11.240 -2.340 -9.109 705 2HB ASN 88 1HB ASN 88 -12.723 -2.690 -8.222 706 1HD2 ASN 88 2HD2 ASN 88 -13.327 0.696 -7.373 707 2HD2 ASN 88 1HD2 ASN 88 -13.814 -0.919 -7.177 708 H GLU 89 H GLU 89 -13.122 -2.372 -5.712 709 HA GLU 89 HA GLU 89 -13.080 -4.657 -4.022 710 1HB GLU 89 2HB GLU 89 -14.849 -2.482 -4.553 711 2HB GLU 89 1HB GLU 89 -15.802 -3.963 -4.651 712 1HG GLU 89 2HG GLU 89 -14.804 -4.660 -2.442 713 2HG GLU 89 1HG GLU 89 -14.066 -3.060 -2.335 714 H ARG 90 H ARG 90 -13.949 -4.331 -7.378 715 HA ARG 90 HA ARG 90 -14.501 -5.920 -8.972 716 1HB ARG 90 2HB ARG 90 -13.439 -7.909 -8.747 717 2HB ARG 90 1HB ARG 90 -12.841 -7.252 -7.235 718 1HG ARG 90 2HG ARG 90 -13.681 -9.277 -6.488 719 2HG ARG 90 1HG ARG 90 -15.124 -8.289 -6.292 720 1HD ARG 90 2HD ARG 90 -15.574 -8.980 -8.797 721 2HD ARG 90 1HD ARG 90 -14.496 -10.319 -8.405 722 HE ARG 90 HE ARG 90 -17.215 -9.993 -7.444 723 1HH1 ARG 90 1HH2 ARG 90 -15.416 -10.063 -4.989 724 2HH1 ARG 90 2HH2 ARG 90 -15.379 -11.760 -4.648 725 1HH2 ARG 90 2HH1 ARG 90 -16.596 -12.680 -7.764 726 2HH2 ARG 90 1HH1 ARG 90 -16.048 -13.244 -6.221 727 H HIS 91 H HIS 91 -16.363 -7.017 -9.682 728 HA HIS 91 HA HIS 91 -18.524 -7.422 -7.669 729 1HB HIS 91 2HB HIS 91 -20.131 -6.388 -9.341 730 2HB HIS 91 1HB HIS 91 -19.025 -5.249 -8.574 731 HD1 HIS 91 HD1 HIS 91 -16.689 -4.889 -10.066 732 HD2 HIS 91 HD2 HIS 91 -20.101 -6.172 -12.092 733 HE1 HIS 91 HE1 HIS 91 -16.300 -4.382 -12.517 734 H ALA 92 HN ALA 92 -17.500 -7.891 -11.055 735 HA ALA 92 HA ALA 92 -17.834 -9.693 -12.515 736 1HB ALA 92 1HB ALA 92 -17.394 -10.797 -9.869 737 2HB ALA 92 3HB ALA 92 -18.460 -11.842 -10.808 738 3HB ALA 92 2HB ALA 92 -16.867 -11.415 -11.432 No H/Q in entry = 738 Start of MODEL 9 Raw file had 756 H/Q atoms Start of MODEL 9 1 1H ALA 1 2H ALA 1 -14.004 14.739 -11.686 2 2H ALA 1 1H ALA 1 -14.745 16.262 -11.544 3 3H ALA 1 3H ALA 1 -13.053 16.145 -11.597 4 HA ALA 1 HA ALA 1 -13.469 16.470 -9.355 5 1HB ALA 1 3HB ALA 1 -15.757 14.516 -9.741 6 2HB ALA 1 2HB ALA 1 -15.265 15.173 -8.180 7 3HB ALA 1 1HB ALA 1 -15.894 16.246 -9.430 8 H ARG 2 H ARG 2 -11.541 15.557 -8.778 9 HA ARG 2 HA ARG 2 -11.457 12.574 -8.553 10 1HB ARG 2 2HB ARG 2 -9.086 14.347 -9.208 11 2HB ARG 2 1HB ARG 2 -9.135 12.585 -9.220 12 1HG ARG 2 2HG ARG 2 -10.909 14.264 -11.006 13 2HG ARG 2 1HG ARG 2 -9.307 13.723 -11.504 14 1HD ARG 2 2HD ARG 2 -9.922 11.456 -11.467 15 2HD ARG 2 1HD ARG 2 -11.315 11.755 -10.428 16 HE ARG 2 HE ARG 2 -12.375 12.878 -12.429 17 1HH1 ARG 2 1HH2 ARG 2 -9.369 12.062 -13.509 18 2HH1 ARG 2 2HH2 ARG 2 -9.889 11.067 -14.828 19 1HH2 ARG 2 2HH1 ARG 2 -13.208 11.019 -13.834 20 2HH2 ARG 2 1HH1 ARG 2 -12.060 10.477 -15.013 21 HA PRO 3 HA PRO 3 -10.528 13.679 -4.384 22 1HB PRO 3 2HB PRO 3 -9.661 11.255 -3.442 23 2HB PRO 3 1HB PRO 3 -11.373 11.659 -3.656 24 1HG PRO 3 2HG PRO 3 -9.643 9.896 -5.300 25 2HG PRO 3 1HG PRO 3 -11.399 9.854 -5.081 26 1HD PRO 3 2HD PRO 3 -10.026 10.903 -7.320 27 2HD PRO 3 1HD PRO 3 -11.743 11.135 -6.942 28 H ALA 4 H ALA 4 -8.606 13.947 -3.045 29 HA ALA 4 HA ALA 4 -6.195 14.377 -4.547 30 1HB ALA 4 1HB ALA 4 -7.099 15.417 -2.265 31 2HB ALA 4 3HB ALA 4 -6.099 14.142 -1.571 32 3HB ALA 4 2HB ALA 4 -5.374 15.356 -2.625 33 H PHE 5 H PHE 5 -7.373 11.642 -2.675 34 HA PHE 5 HA PHE 5 -4.765 10.409 -2.354 35 1HB PHE 5 2HB PHE 5 -6.738 9.868 -0.901 36 2HB PHE 5 1HB PHE 5 -7.467 9.041 -2.280 37 HD1 PHE 5 HD2 PHE 5 -4.158 9.181 -0.497 38 HD2 PHE 5 HD1 PHE 5 -7.100 6.748 -2.468 39 HE1 PHE 5 HE2 PHE 5 -2.801 7.158 -0.029 40 HE2 PHE 5 HE1 PHE 5 -5.742 4.728 -2.002 41 HZ PHE 5 HZ PHE 5 -3.592 4.929 -0.783 42 H VAL 6 H VAL 6 -7.522 9.662 -4.546 43 HA VAL 6 HA VAL 6 -6.177 7.639 -6.021 44 HB VAL 6 HB VAL 6 -8.367 9.559 -6.880 45 1HG1 VAL 6 3HG1 VAL 6 -6.849 7.598 -8.415 46 2HG1 VAL 6 2HG1 VAL 6 -8.562 7.185 -8.369 47 3HG1 VAL 6 1HG1 VAL 6 -8.051 8.762 -8.970 48 1HG2 VAL 6 2HG2 VAL 6 -8.894 8.062 -4.972 49 2HG2 VAL 6 1HG2 VAL 6 -9.832 7.640 -6.405 50 3HG2 VAL 6 3HG2 VAL 6 -8.432 6.669 -5.950 51 H ASN 7 H ASN 7 -6.125 11.167 -6.361 52 HA ASN 7 HA ASN 7 -4.745 11.252 -8.881 53 1HB ASN 7 2HB ASN 7 -4.850 13.189 -6.549 54 2HB ASN 7 1HB ASN 7 -3.999 13.546 -8.051 55 1HD2 ASN 7 2HD2 ASN 7 -7.203 13.393 -9.928 56 2HD2 ASN 7 1HD2 ASN 7 -5.695 12.619 -10.022 57 H LYS 8 H LYS 8 -3.563 11.300 -5.509 58 HA LYS 8 HA LYS 8 -0.772 11.380 -6.183 59 1HB LYS 8 2HB LYS 8 -2.182 10.321 -3.714 60 2HB LYS 8 1HB LYS 8 -0.440 10.562 -3.844 61 1HG LYS 8 2HG LYS 8 -0.635 12.891 -3.939 62 2HG LYS 8 1HG LYS 8 -2.312 12.826 -4.480 63 1HD LYS 8 2HD LYS 8 -3.056 12.097 -2.291 64 2HD LYS 8 1HD LYS 8 -1.390 11.940 -1.732 65 1HE LYS 8 2HE LYS 8 -1.111 14.419 -2.229 66 2HE LYS 8 1HE LYS 8 -2.857 14.486 -2.459 67 1HZ LYS 8 3HZ LYS 8 -1.702 13.312 -0.013 68 2HZ LYS 8 2HZ LYS 8 -1.915 14.992 -0.150 69 3HZ LYS 8 1HZ LYS 8 -3.254 13.951 -0.256 70 H LEU 9 H LEU 9 -3.124 8.820 -6.172 71 HA LEU 9 HA LEU 9 -1.329 6.583 -5.920 72 1HB LEU 9 2HB LEU 9 -3.929 6.691 -5.727 73 2HB LEU 9 1HB LEU 9 -3.908 6.538 -7.483 74 HG LEU 9 HG LEU 9 -2.450 4.485 -7.180 75 1HD1 LEU 9 2HD1 LEU 9 -2.982 5.249 -4.346 76 2HD1 LEU 9 1HD1 LEU 9 -3.014 3.529 -4.735 77 3HD1 LEU 9 3HD1 LEU 9 -1.562 4.478 -5.053 78 1HD2 LEU 9 1HD2 LEU 9 -5.126 4.725 -7.305 79 2HD2 LEU 9 3HD2 LEU 9 -4.339 3.159 -7.126 80 3HD2 LEU 9 2HD2 LEU 9 -4.999 3.979 -5.713 81 H TRP 10 H TRP 10 -3.075 7.779 -8.797 82 HA TRP 10 HA TRP 10 -1.478 6.360 -10.699 83 1HB TRP 10 2HB TRP 10 -2.897 8.990 -11.199 84 2HB TRP 10 1HB TRP 10 -2.559 7.715 -12.365 85 HD1 TRP 10 HD1 TRP 10 -5.441 9.014 -11.119 86 HE1 TRP 10 HE1 TRP 10 -7.267 7.293 -10.548 87 HE3 TRP 10 HE3 TRP 10 -2.609 4.764 -10.818 88 HZ2 TRP 10 HZ2 TRP 10 -7.505 4.502 -10.009 89 HZ3 TRP 10 HZ3 TRP 10 -3.667 2.593 -10.273 90 HH2 TRP 10 HH2 TRP 10 -6.110 2.455 -9.870 91 H SER 11 H SER 11 -0.834 9.256 -8.891 92 HA SER 11 HA SER 11 0.997 10.481 -10.754 93 1HB SER 11 2HB SER 11 0.291 10.827 -7.881 94 2HB SER 11 1HB SER 11 1.837 11.479 -8.417 95 HG SER 11 HG SER 11 0.821 12.867 -9.697 96 H MET 12 H MET 12 1.369 8.065 -8.201 97 HA MET 12 HA MET 12 4.311 8.114 -8.468 98 1HB MET 12 2HB MET 12 2.504 6.344 -6.792 99 2HB MET 12 1HB MET 12 4.262 6.426 -6.674 100 1HG MET 12 2HG MET 12 3.879 8.984 -6.321 101 2HG MET 12 1HG MET 12 2.226 8.513 -5.927 102 1HE MET 12 3HE MET 12 1.455 7.143 -4.356 103 2HE MET 12 2HE MET 12 2.457 5.705 -4.191 104 3HE MET 12 1HE MET 12 2.185 6.743 -2.795 105 H VAL 13 H VAL 13 1.680 5.735 -8.940 106 HA VAL 13 HA VAL 13 3.354 3.700 -10.051 107 HB VAL 13 HB VAL 13 1.109 3.273 -9.136 108 1HG1 VAL 13 1HG1 VAL 13 0.151 5.396 -10.166 109 2HG1 VAL 13 3HG1 VAL 13 -0.002 4.469 -11.658 110 3HG1 VAL 13 2HG1 VAL 13 -0.874 3.960 -10.211 111 1HG2 VAL 13 1HG2 VAL 13 1.402 2.579 -12.064 112 2HG2 VAL 13 3HG2 VAL 13 2.017 1.639 -10.705 113 3HG2 VAL 13 2HG2 VAL 13 0.279 1.799 -10.950 114 H ASN 14 H ASN 14 1.370 6.202 -11.613 115 HA ASN 14 HA ASN 14 2.210 5.379 -14.293 116 1HB ASN 14 2HB ASN 14 -0.014 6.532 -13.607 117 2HB ASN 14 1HB ASN 14 0.926 8.024 -13.646 118 1HD2 ASN 14 2HD2 ASN 14 0.718 5.984 -17.216 119 2HD2 ASN 14 1HD2 ASN 14 0.921 5.102 -15.780 120 H ASP 15 H ASP 15 3.848 7.054 -11.901 121 HA ASP 15 HA ASP 15 4.977 9.223 -13.421 122 1HB ASP 15 2HB ASP 15 5.068 8.419 -10.779 123 2HB ASP 15 1HB ASP 15 6.706 8.078 -11.329 124 H LYS 16 H LYS 16 7.204 9.334 -14.216 125 HA LYS 16 HA LYS 16 7.972 6.853 -15.607 126 1HB LYS 16 2HB LYS 16 8.058 9.515 -16.316 127 2HB LYS 16 1HB LYS 16 9.737 9.204 -15.875 128 1HG LYS 16 2HG LYS 16 9.861 7.341 -17.425 129 2HG LYS 16 1HG LYS 16 8.138 7.467 -17.775 130 1HD LYS 16 2HD LYS 16 8.664 8.860 -19.467 131 2HD LYS 16 1HD LYS 16 9.151 10.047 -18.258 132 1HE LYS 16 2HE LYS 16 11.174 9.899 -19.301 133 2HE LYS 16 1HE LYS 16 11.361 8.459 -18.303 134 1HZ LYS 16 2HZ LYS 16 9.969 7.540 -20.441 135 2HZ LYS 16 1HZ LYS 16 11.006 8.685 -21.149 136 3HZ LYS 16 3HZ LYS 16 11.651 7.412 -20.236 137 H SER 17 H SER 17 9.067 8.863 -12.949 138 HA SER 17 HA SER 17 11.711 7.695 -12.739 139 1HB SER 17 2HB SER 17 11.625 8.730 -10.419 140 2HB SER 17 1HB SER 17 11.363 9.855 -11.748 141 HG SER 17 HG SER 17 9.743 9.248 -9.713 142 H ASN 18 H ASN 18 8.549 7.003 -11.291 143 HA ASN 18 HA ASN 18 9.743 4.719 -9.797 144 1HB ASN 18 2HB ASN 18 6.884 5.710 -9.674 145 2HB ASN 18 1HB ASN 18 7.703 4.654 -8.526 146 1HD2 ASN 18 2HD2 ASN 18 7.705 8.402 -7.539 147 2HD2 ASN 18 1HD2 ASN 18 6.477 7.501 -8.286 148 H GLU 19 H GLU 19 8.947 4.973 -12.846 149 HA GLU 19 HA GLU 19 6.785 3.184 -13.324 150 1HB GLU 19 2HB GLU 19 8.928 4.429 -14.872 151 2HB GLU 19 1HB GLU 19 8.575 2.798 -15.444 152 1HG GLU 19 2HG GLU 19 6.137 4.315 -14.856 153 2HG GLU 19 1HG GLU 19 7.136 5.103 -16.078 154 H LYS 20 H LYS 20 10.111 2.583 -12.406 155 HA LYS 20 HA LYS 20 9.867 -0.297 -13.038 156 1HB LYS 20 2HB LYS 20 12.005 1.367 -13.150 157 2HB LYS 20 1HB LYS 20 12.223 0.697 -11.534 158 1HG LYS 20 2HG LYS 20 13.312 -0.936 -12.745 159 2HG LYS 20 1HG LYS 20 11.675 -1.585 -12.823 160 1HD LYS 20 2HD LYS 20 12.529 -1.611 -15.067 161 2HD LYS 20 1HD LYS 20 11.378 -0.277 -14.981 162 1HE LYS 20 2HE LYS 20 13.017 1.331 -15.136 163 2HE LYS 20 1HE LYS 20 14.216 0.339 -14.309 164 1HZ LYS 20 3HZ LYS 20 13.935 -1.106 -16.472 165 2HZ LYS 20 2HZ LYS 20 13.465 0.386 -17.136 166 3HZ LYS 20 1HZ LYS 20 14.998 0.215 -16.422 167 H PHE 21 H PHE 21 9.505 1.849 -10.319 168 HA PHE 21 HA PHE 21 9.666 -0.426 -8.412 169 1HB PHE 21 2HB PHE 21 9.544 2.571 -8.071 170 2HB PHE 21 1HB PHE 21 9.294 1.472 -6.713 171 HD1 PHE 21 HD1 PHE 21 11.094 -0.214 -6.146 172 HD2 PHE 21 HD2 PHE 21 11.723 3.001 -8.922 173 HE1 PHE 21 HE1 PHE 21 13.547 -0.513 -5.933 174 HE2 PHE 21 HE2 PHE 21 14.177 2.705 -8.708 175 HZ PHE 21 HZ PHE 21 15.087 0.946 -7.214 176 H ILE 22 H ILE 22 7.330 0.964 -10.349 177 HA ILE 22 HA ILE 22 5.170 -0.413 -9.123 178 HB ILE 22 HB ILE 22 5.366 1.324 -7.381 179 1HG1 ILE 22 2HG1 ILE 22 2.940 2.032 -9.019 180 2HG1 ILE 22 1HG1 ILE 22 3.108 0.426 -8.309 181 1HG2 ILE 22 2HG2 ILE 22 5.229 3.158 -9.760 182 2HG2 ILE 22 1HG2 ILE 22 4.630 3.698 -8.196 183 3HG2 ILE 22 3HG2 ILE 22 6.315 3.214 -8.376 184 1HD1 ILE 22 2HD1 ILE 22 3.736 1.890 -6.150 185 2HD1 ILE 22 1HD1 ILE 22 2.704 3.061 -6.973 186 3HD1 ILE 22 3HD1 ILE 22 2.068 1.473 -6.542 187 H HIS 23 H HIS 23 3.482 -0.525 -10.602 188 HA HIS 23 HA HIS 23 2.969 1.482 -12.615 189 1HB HIS 23 2HB HIS 23 5.156 0.484 -13.412 190 2HB HIS 23 1HB HIS 23 4.304 -1.046 -13.615 191 HD1 HIS 23 HD1 HIS 23 2.858 -1.319 -15.676 192 HD2 HIS 23 HD2 HIS 23 4.154 2.608 -15.154 193 HE1 HIS 23 HE1 HIS 23 2.207 -0.064 -17.777 194 H TRP 24 H TRP 24 1.212 0.786 -14.077 195 HA TRP 24 HA TRP 24 -0.811 -0.750 -12.821 196 1HB TRP 24 2HB TRP 24 -0.507 -0.389 -15.816 197 2HB TRP 24 1HB TRP 24 -1.994 -0.717 -14.941 198 HD1 TRP 24 HD1 TRP 24 -0.372 1.703 -12.826 199 HE1 TRP 24 HE1 TRP 24 -1.132 4.109 -13.337 200 HE3 TRP 24 HE3 TRP 24 -2.587 0.979 -17.370 201 HZ2 TRP 24 HZ2 TRP 24 -2.504 5.539 -15.397 202 HZ3 TRP 24 HZ3 TRP 24 -3.615 2.880 -18.582 203 HH2 TRP 24 HH2 TRP 24 -3.577 5.157 -17.602 204 H SER 25 H SER 25 -1.599 -2.916 -13.293 205 HA SER 25 HA SER 25 0.476 -4.885 -13.611 206 1HB SER 25 2HB SER 25 -2.505 -4.941 -13.397 207 2HB SER 25 1HB SER 25 -1.694 -6.380 -14.008 208 HG SER 25 HG SER 25 -0.705 -6.641 -12.115 209 H THR 26 H THR 26 -2.401 -4.423 -15.690 210 HA THR 26 HA THR 26 -0.783 -4.389 -18.122 211 HB THR 26 HB THR 26 -2.600 -6.769 -17.630 212 HG1 THR 26 HG1 THR 26 -0.642 -7.921 -17.569 213 1HG2 THR 26 1HG2 THR 26 -2.160 -5.732 -20.006 214 2HG2 THR 26 3HG2 THR 26 -0.582 -6.504 -19.836 215 3HG2 THR 26 2HG2 THR 26 -2.051 -7.478 -19.781 216 H SER 27 H SER 27 -4.079 -5.291 -17.034 217 HA SER 27 HA SER 27 -5.241 -2.909 -18.240 218 1HB SER 27 2HB SER 27 -5.370 -5.562 -19.641 219 2HB SER 27 1HB SER 27 -6.748 -4.471 -19.736 220 HG SER 27 HG SER 27 -4.585 -4.385 -21.177 221 H GLY 28 H GLY 28 -7.138 -2.469 -17.186 222 1HA GLY 28 2HA GLY 28 -9.329 -3.362 -16.349 223 2HA GLY 28 1HA GLY 28 -8.418 -4.702 -15.657 224 H GLU 29 H GLU 29 -7.001 -1.530 -15.460 225 HA GLU 29 HA GLU 29 -6.535 -0.160 -13.624 226 1HB GLU 29 2HB GLU 29 -9.236 -1.185 -12.699 227 2HB GLU 29 1HB GLU 29 -8.386 0.207 -12.029 228 1HG GLU 29 2HG GLU 29 -9.768 1.260 -13.570 229 2HG GLU 29 1HG GLU 29 -8.330 0.989 -14.555 230 H SER 30 H SER 30 -4.786 -1.138 -12.653 231 HA SER 30 HA SER 30 -5.202 -2.455 -10.102 232 1HB SER 30 2HB SER 30 -3.671 -4.452 -11.057 233 2HB SER 30 1HB SER 30 -5.430 -4.538 -11.055 234 HG SER 30 HG SER 30 -3.872 -3.499 -13.192 235 H ILE 31 H ILE 31 -3.274 -2.375 -8.860 236 HA ILE 31 HA ILE 31 -0.989 -0.997 -10.220 237 HB ILE 31 HB ILE 31 -1.599 -1.075 -7.251 238 1HG1 ILE 31 2HG1 ILE 31 -2.138 1.177 -9.209 239 2HG1 ILE 31 1HG1 ILE 31 -3.382 0.067 -8.639 240 1HG2 ILE 31 2HG2 ILE 31 0.232 0.652 -8.948 241 2HG2 ILE 31 1HG2 ILE 31 -0.030 0.850 -7.214 242 3HG2 ILE 31 3HG2 ILE 31 0.746 -0.610 -7.828 243 1HD1 ILE 31 1HD1 ILE 31 -1.882 1.097 -6.387 244 2HD1 ILE 31 3HD1 ILE 31 -2.493 2.428 -7.370 245 3HD1 ILE 31 2HD1 ILE 31 -3.609 1.225 -6.723 246 H VAL 32 H VAL 32 1.169 -1.701 -9.693 247 HA VAL 32 HA VAL 32 1.294 -4.401 -8.404 248 HB VAL 32 HB VAL 32 2.871 -3.511 -10.838 249 1HG1 VAL 32 3HG1 VAL 32 3.876 -5.207 -9.184 250 2HG1 VAL 32 2HG1 VAL 32 2.584 -6.293 -9.694 251 3HG1 VAL 32 1HG1 VAL 32 3.764 -5.715 -10.869 252 1HG2 VAL 32 3HG2 VAL 32 0.407 -5.230 -10.494 253 2HG2 VAL 32 2HG2 VAL 32 0.627 -3.846 -11.564 254 3HG2 VAL 32 1HG2 VAL 32 1.449 -5.368 -11.909 255 H VAL 33 H VAL 33 2.996 -4.698 -6.997 256 HA VAL 33 HA VAL 33 4.941 -2.438 -6.726 257 HB VAL 33 HB VAL 33 3.921 -4.188 -4.470 258 1HG1 VAL 33 2HG1 VAL 33 5.602 -1.676 -4.630 259 2HG1 VAL 33 1HG1 VAL 33 4.867 -2.235 -3.129 260 3HG1 VAL 33 3HG1 VAL 33 6.060 -3.238 -3.953 261 1HG2 VAL 33 1HG2 VAL 33 3.052 -1.402 -5.311 262 2HG2 VAL 33 3HG2 VAL 33 2.055 -2.856 -5.337 263 3HG2 VAL 33 2HG2 VAL 33 2.592 -2.183 -3.798 264 HA PRO 34 HA PRO 34 7.295 -6.246 -7.508 265 1HB PRO 34 2HB PRO 34 9.442 -5.038 -8.712 266 2HB PRO 34 1HB PRO 34 7.987 -5.539 -9.590 267 1HG PRO 34 2HG PRO 34 8.862 -2.805 -8.820 268 2HG PRO 34 1HG PRO 34 7.814 -3.314 -10.153 269 1HD PRO 34 2HD PRO 34 6.965 -2.195 -7.696 270 2HD PRO 34 1HD PRO 34 5.931 -2.971 -8.909 271 H ASN 35 H ASN 35 8.211 -3.159 -6.101 272 HA ASN 35 HA ASN 35 9.828 -4.585 -4.072 273 1HB ASN 35 2HB ASN 35 10.874 -2.578 -6.036 274 2HB ASN 35 1HB ASN 35 11.509 -2.552 -4.389 275 1HD2 ASN 35 2HD2 ASN 35 12.404 -5.701 -6.849 276 2HD2 ASN 35 1HD2 ASN 35 11.193 -4.597 -7.294 277 H ARG 36 H ARG 36 8.074 -3.993 -2.665 278 HA ARG 36 HA ARG 36 7.198 -1.257 -2.368 279 1HB ARG 36 2HB ARG 36 5.944 -2.053 -0.461 280 2HB ARG 36 1HB ARG 36 5.865 -3.299 -1.702 281 1HG ARG 36 2HG ARG 36 6.440 -4.642 0.071 282 2HG ARG 36 1HG ARG 36 8.065 -4.146 -0.396 283 1HD ARG 36 2HD ARG 36 8.357 -2.966 1.514 284 2HD ARG 36 1HD ARG 36 6.776 -2.197 1.370 285 HE ARG 36 HE ARG 36 5.833 -4.320 2.386 286 1HH1 ARG 36 2HH1 ARG 36 8.126 -6.103 2.416 287 2HH1 ARG 36 1HH1 ARG 36 8.817 -5.867 3.987 288 1HH2 ARG 36 1HH2 ARG 36 7.166 -2.870 4.556 289 2HH2 ARG 36 2HH2 ARG 36 8.274 -4.038 5.198 290 H GLU 37 H GLU 37 9.798 -3.147 -1.005 291 HA GLU 37 HA GLU 37 10.358 -1.518 1.286 292 1HB GLU 37 2HB GLU 37 11.285 -3.860 0.653 293 2HB GLU 37 1HB GLU 37 12.484 -2.970 -0.285 294 1HG GLU 37 2HG GLU 37 13.621 -3.011 1.705 295 2HG GLU 37 1HG GLU 37 12.628 -1.590 2.028 296 H ARG 38 H ARG 38 12.125 -1.621 -1.837 297 HA ARG 38 HA ARG 38 13.590 0.786 -1.339 298 1HB ARG 38 2HB ARG 38 13.138 -1.034 -3.620 299 2HB ARG 38 1HB ARG 38 13.494 0.631 -4.082 300 1HG ARG 38 2HG ARG 38 15.652 -0.161 -3.874 301 2HG ARG 38 1HG ARG 38 15.378 0.350 -2.209 302 1HD ARG 38 2HD ARG 38 15.294 -1.793 -1.426 303 2HD ARG 38 1HD ARG 38 14.463 -2.391 -2.862 304 HE ARG 38 HE ARG 38 16.613 -2.632 -3.956 305 1HH1 ARG 38 1HH2 ARG 38 18.774 -1.374 -3.651 306 2HH1 ARG 38 2HH2 ARG 38 19.560 -1.770 -2.159 307 1HH2 ARG 38 2HH1 ARG 38 16.738 -3.213 -0.748 308 2HH2 ARG 38 1HH1 ARG 38 18.407 -2.812 -0.515 309 H PHE 39 H PHE 39 10.406 0.197 -2.697 310 HA PHE 39 HA PHE 39 9.971 2.703 -3.974 311 1HB PHE 39 2HB PHE 39 8.408 0.871 -4.294 312 2HB PHE 39 1HB PHE 39 8.042 0.824 -2.572 313 HD1 PHE 39 HD1 PHE 39 7.635 2.801 -5.690 314 HD2 PHE 39 HD2 PHE 39 6.515 2.389 -1.564 315 HE1 PHE 39 HE1 PHE 39 5.818 4.457 -6.017 316 HE2 PHE 39 HE2 PHE 39 4.701 4.048 -1.892 317 HZ PHE 39 HZ PHE 39 4.353 5.082 -4.118 318 H VAL 40 H VAL 40 8.634 1.765 -0.797 319 HA VAL 40 HA VAL 40 7.908 4.317 0.074 320 HB VAL 40 HB VAL 40 8.963 2.049 1.788 321 1HG1 VAL 40 1HG1 VAL 40 7.910 4.691 2.420 322 2HG1 VAL 40 3HG1 VAL 40 6.913 3.421 3.127 323 3HG1 VAL 40 2HG1 VAL 40 8.636 3.497 3.488 324 1HG2 VAL 40 2HG2 VAL 40 6.204 2.675 0.698 325 2HG2 VAL 40 1HG2 VAL 40 7.167 1.229 0.397 326 3HG2 VAL 40 3HG2 VAL 40 6.495 1.522 2.000 327 H GLN 41 H GLN 41 11.009 2.662 0.645 328 HA GLN 41 HA GLN 41 12.266 4.616 2.221 329 1HB GLN 41 2HB GLN 41 13.235 2.513 0.338 330 2HB GLN 41 1HB GLN 41 14.395 3.702 0.935 331 1HG GLN 41 2HG GLN 41 12.551 2.439 2.916 332 2HG GLN 41 1HG GLN 41 13.884 1.468 2.295 333 1HE2 GLN 41 2HE2 GLN 41 14.988 3.524 5.295 334 2HE2 GLN 41 1HE2 GLN 41 13.658 2.497 5.054 335 H GLU 42 H GLU 42 11.871 4.592 -1.315 336 HA GLU 42 HA GLU 42 13.028 7.348 -1.319 337 1HB GLU 42 2HB GLU 42 13.573 5.097 -3.263 338 2HB GLU 42 1HB GLU 42 13.953 6.783 -3.615 339 1HG GLU 42 2HG GLU 42 14.889 5.746 -0.989 340 2HG GLU 42 1HG GLU 42 15.709 5.113 -2.416 341 H VAL 43 H VAL 43 10.199 6.507 -1.286 342 HA VAL 43 HA VAL 43 9.346 8.066 -3.632 343 HB VAL 43 HB VAL 43 8.185 5.292 -3.223 344 1HG1 VAL 43 1HG1 VAL 43 7.687 7.598 -5.070 345 2HG1 VAL 43 3HG1 VAL 43 7.439 5.958 -5.669 346 3HG1 VAL 43 2HG1 VAL 43 6.529 6.534 -4.272 347 1HG2 VAL 43 3HG2 VAL 43 10.182 6.316 -5.270 348 2HG2 VAL 43 2HG2 VAL 43 10.472 5.066 -4.059 349 3HG2 VAL 43 1HG2 VAL 43 9.345 4.768 -5.382 350 H LEU 44 H LEU 44 8.364 6.253 -0.711 351 HA LEU 44 HA LEU 44 5.743 7.332 -0.502 352 1HB LEU 44 2HB LEU 44 6.569 5.446 0.876 353 2HB LEU 44 1HB LEU 44 7.602 6.560 1.767 354 HG LEU 44 HG LEU 44 5.457 7.878 2.280 355 1HD1 LEU 44 1HD1 LEU 44 4.250 6.420 0.444 356 2HD1 LEU 44 3HD1 LEU 44 4.046 5.277 1.771 357 3HD1 LEU 44 2HD1 LEU 44 3.376 6.903 1.897 358 1HD2 LEU 44 1HD2 LEU 44 6.631 6.469 3.937 359 2HD2 LEU 44 3HD2 LEU 44 4.883 6.372 4.150 360 3HD2 LEU 44 2HD2 LEU 44 5.750 5.056 3.357 361 HA PRO 45 HA PRO 45 7.532 10.849 2.132 362 1HB PRO 45 2HB PRO 45 10.180 11.506 1.850 363 2HB PRO 45 1HB PRO 45 9.556 10.453 3.133 364 1HG PRO 45 2HG PRO 45 11.078 9.729 0.680 365 2HG PRO 45 1HG PRO 45 10.984 8.887 2.236 366 1HD PRO 45 2HD PRO 45 9.614 8.164 -0.114 367 2HD PRO 45 1HD PRO 45 9.278 7.559 1.518 368 H LYS 46 H LYS 46 8.324 10.159 -1.136 369 HA LYS 46 HA LYS 46 8.949 12.860 -1.972 370 1HB LYS 46 2HB LYS 46 9.126 10.297 -3.086 371 2HB LYS 46 1HB LYS 46 7.921 11.119 -4.076 372 1HG LYS 46 2HG LYS 46 10.668 12.224 -3.414 373 2HG LYS 46 1HG LYS 46 10.228 11.457 -4.940 374 1HD LYS 46 2HD LYS 46 8.287 13.217 -4.953 375 2HD LYS 46 1HD LYS 46 9.315 14.087 -3.814 376 1HE LYS 46 2HE LYS 46 9.734 14.788 -6.163 377 2HE LYS 46 1HE LYS 46 11.163 14.062 -5.429 378 1HZ LYS 46 3HZ LYS 46 9.278 12.362 -6.908 379 2HZ LYS 46 2HZ LYS 46 10.387 13.317 -7.773 380 3HZ LYS 46 1HZ LYS 46 10.943 12.158 -6.661 381 H TYR 47 H TYR 47 5.986 11.120 -1.383 382 HA TYR 47 HA TYR 47 4.483 13.348 -2.708 383 1HB TYR 47 2HB TYR 47 3.771 10.419 -2.451 384 2HB TYR 47 1HB TYR 47 2.622 11.655 -2.965 385 HD1 TYR 47 HD2 TYR 47 5.968 10.198 -3.766 386 HD2 TYR 47 HD1 TYR 47 2.571 12.398 -5.208 387 HE1 TYR 47 HE2 TYR 47 6.867 10.075 -6.074 388 HE2 TYR 47 HE1 TYR 47 3.472 12.274 -7.516 389 HH TYR 47 HH TYR 47 5.713 10.179 -8.502 390 H PHE 48 H PHE 48 5.011 11.635 0.249 391 HA PHE 48 HA PHE 48 2.652 13.032 1.440 392 1HB PHE 48 2HB PHE 48 3.893 10.373 2.192 393 2HB PHE 48 1HB PHE 48 2.666 11.195 3.156 394 HD1 PHE 48 HD2 PHE 48 3.350 9.753 -0.214 395 HD2 PHE 48 HD1 PHE 48 0.367 11.085 2.576 396 HE1 PHE 48 HE2 PHE 48 1.573 8.808 -1.663 397 HE2 PHE 48 HE1 PHE 48 -1.411 10.142 1.127 398 HZ PHE 48 HZ PHE 48 -0.807 9.003 -0.992 399 H LYS 49 H LYS 49 6.035 12.097 1.859 400 HA LYS 49 HA LYS 49 7.713 12.989 3.226 401 1HB LYS 49 2HB LYS 49 5.761 15.262 3.710 402 2HB LYS 49 1HB LYS 49 7.509 15.302 3.920 403 1HG LYS 49 2HG LYS 49 6.699 14.430 1.232 404 2HG LYS 49 1HG LYS 49 6.154 16.059 1.624 405 1HD LYS 49 2HD LYS 49 8.984 15.266 2.239 406 2HD LYS 49 1HD LYS 49 8.544 15.705 0.589 407 1HE LYS 49 2HE LYS 49 7.893 17.890 1.219 408 2HE LYS 49 1HE LYS 49 7.802 17.461 2.927 409 1HZ LYS 49 3HZ LYS 49 10.303 16.931 2.600 410 2HZ LYS 49 2HZ LYS 49 10.168 17.967 1.261 411 3HZ LYS 49 1HZ LYS 49 9.806 18.538 2.820 412 H HIS 50 H HIS 50 8.018 11.853 5.069 413 HA HIS 50 HA HIS 50 7.724 11.054 7.251 414 1HB HIS 50 2HB HIS 50 6.155 13.639 7.490 415 2HB HIS 50 1HB HIS 50 6.598 12.612 8.851 416 HD1 HIS 50 HD1 HIS 50 8.228 14.622 6.067 417 HD2 HIS 50 HD2 HIS 50 9.185 13.014 9.792 418 HE1 HIS 50 HE1 HIS 50 10.543 15.474 6.642 419 H SER 51 H SER 51 6.434 9.297 6.325 420 HA SER 51 HA SER 51 3.721 9.249 7.466 421 1HB SER 51 2HB SER 51 3.925 10.018 4.844 422 2HB SER 51 1HB SER 51 3.763 8.272 4.675 423 HG SER 51 HG SER 51 2.065 9.982 6.187 424 H ASN 52 H ASN 52 2.813 6.872 6.471 425 HA ASN 52 HA ASN 52 5.040 4.927 6.627 426 1HB ASN 52 2HB ASN 52 3.553 3.599 8.319 427 2HB ASN 52 1HB ASN 52 4.575 4.903 8.915 428 1HD2 ASN 52 2HD2 ASN 52 1.822 7.046 9.713 429 2HD2 ASN 52 1HD2 ASN 52 3.482 7.022 9.358 430 H PHE 53 H PHE 53 4.574 2.934 5.691 431 HA PHE 53 HA PHE 53 2.719 2.880 3.555 432 1HB PHE 53 2HB PHE 53 4.805 1.304 4.338 433 2HB PHE 53 1HB PHE 53 3.442 0.255 4.725 434 HD1 PHE 53 HD1 PHE 53 4.195 2.707 1.980 435 HD2 PHE 53 HD2 PHE 53 3.010 -1.285 3.030 436 HE1 PHE 53 HE1 PHE 53 3.954 2.148 -0.423 437 HE2 PHE 53 HE2 PHE 53 2.768 -1.845 0.626 438 HZ PHE 53 HZ PHE 53 3.239 -0.127 -1.101 439 H ALA 54 H ALA 54 2.337 1.984 6.923 440 HA ALA 54 HA ALA 54 -0.020 0.382 6.685 441 1HB ALA 54 1HB ALA 54 1.549 0.955 8.753 442 2HB ALA 54 3HB ALA 54 0.346 2.213 9.028 443 3HB ALA 54 2HB ALA 54 -0.142 0.519 8.999 444 H SER 55 H SER 55 0.435 3.889 7.089 445 HA SER 55 HA SER 55 -2.357 4.548 7.239 446 1HB SER 55 2HB SER 55 -1.634 6.838 6.738 447 2HB SER 55 1HB SER 55 -0.533 6.106 7.902 448 HG SER 55 HG SER 55 0.769 6.959 6.374 449 H PHE 56 H PHE 56 -0.078 4.201 4.550 450 HA PHE 56 HA PHE 56 -1.780 5.183 2.475 451 1HB PHE 56 2HB PHE 56 0.744 4.526 2.412 452 2HB PHE 56 1HB PHE 56 0.146 2.907 2.046 453 HD1 PHE 56 HD2 PHE 56 -1.477 2.632 0.082 454 HD2 PHE 56 HD1 PHE 56 0.846 6.185 0.729 455 HE1 PHE 56 HE2 PHE 56 -1.826 3.288 -2.283 456 HE2 PHE 56 HE1 PHE 56 0.498 6.843 -1.637 457 HZ PHE 56 HZ PHE 56 -0.838 5.394 -3.143 458 H VAL 57 H VAL 57 -1.523 2.002 4.005 459 HA VAL 57 HA VAL 57 -3.204 0.584 2.161 460 HB VAL 57 HB VAL 57 -3.012 -0.007 5.124 461 1HG1 VAL 57 2HG1 VAL 57 -3.687 -1.515 2.618 462 2HG1 VAL 57 1HG1 VAL 57 -2.991 -2.387 3.985 463 3HG1 VAL 57 3HG1 VAL 57 -4.513 -1.514 4.176 464 1HG2 VAL 57 1HG2 VAL 57 -0.903 -0.060 3.056 465 2HG2 VAL 57 3HG2 VAL 57 -0.756 -0.086 4.813 466 3HG2 VAL 57 2HG2 VAL 57 -1.086 -1.578 3.935 467 H ARG 58 H ARG 58 -3.869 2.396 5.141 468 HA ARG 58 HA ARG 58 -6.643 1.808 5.357 469 1HB ARG 58 2HB ARG 58 -4.914 3.224 6.862 470 2HB ARG 58 1HB ARG 58 -5.738 4.556 6.055 471 1HG ARG 58 2HG ARG 58 -7.394 4.334 7.570 472 2HG ARG 58 1HG ARG 58 -7.803 2.806 6.797 473 1HD ARG 58 2HD ARG 58 -5.602 2.211 8.440 474 2HD ARG 58 1HD ARG 58 -6.619 3.279 9.407 475 HE ARG 58 HE ARG 58 -8.466 1.532 8.471 476 1HH1 ARG 58 2HH1 ARG 58 -5.869 -0.170 8.056 477 2HH1 ARG 58 1HH1 ARG 58 -5.955 -1.177 9.463 478 1HH2 ARG 58 1HH2 ARG 58 -8.349 0.777 11.037 479 2HH2 ARG 58 2HH2 ARG 58 -7.360 -0.640 11.152 480 H GLN 59 H GLN 59 -5.012 4.496 3.636 481 HA GLN 59 HA GLN 59 -7.346 5.828 2.730 482 1HB GLN 59 2HB GLN 59 -4.554 5.608 1.620 483 2HB GLN 59 1HB GLN 59 -5.805 6.491 0.748 484 1HG GLN 59 2HG GLN 59 -4.964 8.208 2.037 485 2HG GLN 59 1HG GLN 59 -6.197 7.593 3.138 486 1HE2 GLN 59 2HE2 GLN 59 -3.828 6.788 5.601 487 2HE2 GLN 59 1HE2 GLN 59 -5.438 7.159 5.208 488 H LEU 60 H LEU 60 -5.481 3.228 1.130 489 HA LEU 60 HA LEU 60 -7.037 3.074 -1.238 490 1HB LEU 60 2HB LEU 60 -5.584 0.863 0.242 491 2HB LEU 60 1HB LEU 60 -6.166 0.756 -1.419 492 HG LEU 60 HG LEU 60 -4.322 2.979 -0.543 493 1HD1 LEU 60 3HD1 LEU 60 -3.707 0.120 -1.163 494 2HD1 LEU 60 2HD1 LEU 60 -2.627 1.352 -1.817 495 3HD1 LEU 60 1HD1 LEU 60 -2.881 1.235 -0.075 496 1HD2 LEU 60 1HD2 LEU 60 -5.753 2.700 -2.807 497 2HD2 LEU 60 3HD2 LEU 60 -4.151 3.437 -2.793 498 3HD2 LEU 60 2HD2 LEU 60 -4.338 1.746 -3.258 499 H ASN 61 H ASN 61 -7.549 1.578 1.936 500 HA ASN 61 HA ASN 61 -9.781 -0.057 1.062 501 1HB ASN 61 2HB ASN 61 -8.184 -0.112 3.244 502 2HB ASN 61 1HB ASN 61 -9.583 0.723 3.921 503 1HD2 ASN 61 2HD2 ASN 61 -9.817 -3.239 3.102 504 2HD2 ASN 61 1HD2 ASN 61 -8.385 -2.363 2.850 505 H MET 62 H MET 62 -9.461 3.264 2.052 506 HA MET 62 HA MET 62 -12.321 3.512 2.699 507 1HB MET 62 2HB MET 62 -9.914 5.248 2.893 508 2HB MET 62 1HB MET 62 -11.465 6.062 2.692 509 1HG MET 62 2HG MET 62 -11.114 3.881 4.744 510 2HG MET 62 1HG MET 62 -10.674 5.550 5.108 511 1HE MET 62 3HE MET 62 -11.926 5.907 6.845 512 2HE MET 62 2HE MET 62 -12.622 7.317 6.048 513 3HE MET 62 1HE MET 62 -13.666 6.213 6.940 514 H TYR 63 H TYR 63 -11.111 2.987 -0.176 515 HA TYR 63 HA TYR 63 -12.850 5.039 -1.472 516 1HB TYR 63 2HB TYR 63 -10.086 4.153 -2.321 517 2HB TYR 63 1HB TYR 63 -11.191 5.017 -3.391 518 HD1 TYR 63 HD2 TYR 63 -12.409 7.099 -2.074 519 HD2 TYR 63 HD1 TYR 63 -8.523 5.479 -1.260 520 HE1 TYR 63 HE2 TYR 63 -11.735 9.247 -1.030 521 HE2 TYR 63 HE1 TYR 63 -7.842 7.624 -0.213 522 HH TYR 63 HH TYR 63 -9.265 10.419 -0.671 523 H GLY 64 H GLY 64 -11.152 1.930 -1.962 524 1HA GLY 64 2HA GLY 64 -13.165 0.226 -2.548 525 2HA GLY 64 1HA GLY 64 -13.108 1.169 -4.037 526 H TRP 65 H TRP 65 -10.456 0.050 -1.931 527 HA TRP 65 HA TRP 65 -9.392 -1.496 -4.265 528 1HB TRP 65 2HB TRP 65 -7.942 0.262 -2.275 529 2HB TRP 65 1HB TRP 65 -7.102 -0.943 -3.251 530 HD1 TRP 65 HD1 TRP 65 -7.871 2.562 -3.321 531 HE1 TRP 65 HE1 TRP 65 -7.867 3.514 -5.717 532 HE3 TRP 65 HE3 TRP 65 -8.037 -1.785 -5.999 533 HZ2 TRP 65 HZ2 TRP 65 -7.926 2.558 -8.414 534 HZ3 TRP 65 HZ3 TRP 65 -8.063 -1.734 -8.477 535 HH2 TRP 65 HH2 TRP 65 -8.008 0.429 -9.686 536 H HIS 66 H HIS 66 -8.919 -3.619 -3.794 537 HA HIS 66 HA HIS 66 -8.534 -4.385 -0.944 538 1HB HIS 66 2HB HIS 66 -10.468 -5.807 -2.799 539 2HB HIS 66 1HB HIS 66 -10.144 -6.204 -1.111 540 HD1 HIS 66 HD1 HIS 66 -11.586 -3.389 -3.222 541 HD2 HIS 66 HD2 HIS 66 -11.657 -4.745 0.720 542 HE1 HIS 66 HE1 HIS 66 -13.289 -1.964 -2.005 543 H LYS 67 H LYS 67 -7.298 -6.291 -0.676 544 HA LYS 67 HA LYS 67 -5.618 -6.996 -2.989 545 1HB LYS 67 2HB LYS 67 -5.569 -7.543 -0.039 546 2HB LYS 67 1HB LYS 67 -4.665 -8.612 -1.113 547 1HG LYS 67 2HG LYS 67 -3.856 -6.274 -2.130 548 2HG LYS 67 1HG LYS 67 -4.215 -5.729 -0.491 549 1HD LYS 67 2HD LYS 67 -2.505 -8.155 -1.083 550 2HD LYS 67 1HD LYS 67 -1.836 -6.539 -0.850 551 1HE LYS 67 2HE LYS 67 -2.312 -6.515 1.400 552 2HE LYS 67 1HE LYS 67 -3.750 -7.520 1.213 553 1HZ LYS 67 1HZ LYS 67 -2.172 -9.382 0.668 554 2HZ LYS 67 3HZ LYS 67 -0.916 -8.380 1.213 555 3HZ LYS 67 2HZ LYS 67 -2.152 -8.848 2.281 556 H VAL 68 H VAL 68 -7.129 -8.126 -4.322 557 HA VAL 68 HA VAL 68 -8.539 -9.872 -5.012 558 HB VAL 68 HB VAL 68 -7.495 -12.195 -4.334 559 1HG1 VAL 68 2HG1 VAL 68 -6.392 -10.066 -6.147 560 2HG1 VAL 68 1HG1 VAL 68 -5.621 -11.650 -6.058 561 3HG1 VAL 68 3HG1 VAL 68 -7.306 -11.516 -6.562 562 1HG2 VAL 68 2HG2 VAL 68 -5.277 -10.243 -3.630 563 2HG2 VAL 68 1HG2 VAL 68 -6.050 -11.381 -2.527 564 3HG2 VAL 68 3HG2 VAL 68 -5.059 -11.977 -3.858 565 H GLN 69 H GLN 69 -10.470 -9.612 -3.905 566 HA GLN 69 HA GLN 69 -10.742 -10.864 -1.231 567 1HB GLN 69 2HB GLN 69 -11.738 -8.534 -2.161 568 2HB GLN 69 1HB GLN 69 -13.079 -9.603 -2.573 569 1HG GLN 69 2HG GLN 69 -13.601 -8.927 -0.381 570 2HG GLN 69 1HG GLN 69 -12.820 -10.490 -0.139 571 1HE2 GLN 69 2HE2 GLN 69 -10.823 -7.071 0.960 572 2HE2 GLN 69 1HE2 GLN 69 -12.122 -6.964 -0.128 573 H ASP 70 H ASP 70 -10.276 -12.831 -3.005 574 HA ASP 70 HA ASP 70 -12.913 -13.889 -3.892 575 1HB ASP 70 2HB ASP 70 -10.478 -13.882 -5.160 576 2HB ASP 70 1HB ASP 70 -10.487 -15.489 -4.435 577 H VAL 71 H VAL 71 -9.975 -15.332 -2.432 578 HA VAL 71 HA VAL 71 -11.574 -16.459 -0.238 579 HB VAL 71 HB VAL 71 -10.728 -18.805 -0.761 580 1HG1 VAL 71 3HG1 VAL 71 -13.073 -17.774 -1.250 581 2HG1 VAL 71 2HG1 VAL 71 -12.556 -17.811 -2.937 582 3HG1 VAL 71 1HG1 VAL 71 -12.649 -19.309 -2.010 583 1HG2 VAL 71 2HG2 VAL 71 -9.017 -18.085 -2.431 584 2HG2 VAL 71 1HG2 VAL 71 -10.131 -19.280 -3.090 585 3HG2 VAL 71 3HG2 VAL 71 -10.316 -17.577 -3.508 586 H LYS 72 H LYS 72 -10.318 -16.348 1.547 587 HA LYS 72 HA LYS 72 -7.578 -15.526 1.447 588 1HB LYS 72 2HB LYS 72 -7.587 -16.007 3.894 589 2HB LYS 72 1HB LYS 72 -8.974 -15.043 3.390 590 1HG LYS 72 2HG LYS 72 -10.245 -16.594 4.443 591 2HG LYS 72 1HG LYS 72 -9.890 -17.643 3.071 592 1HD LYS 72 2HD LYS 72 -9.217 -18.968 4.878 593 2HD LYS 72 1HD LYS 72 -7.701 -18.201 4.407 594 1HE LYS 72 2HE LYS 72 -7.579 -16.981 6.321 595 2HE LYS 72 1HE LYS 72 -9.307 -16.630 6.320 596 1HZ LYS 72 1HZ LYS 72 -8.111 -19.237 7.086 597 2HZ LYS 72 3HZ LYS 72 -8.623 -18.048 8.183 598 3HZ LYS 72 2HZ LYS 72 -9.754 -18.814 7.173 599 H SER 73 H SER 73 -5.698 -16.710 1.456 600 HA SER 73 HA SER 73 -5.698 -19.437 0.627 601 1HB SER 73 2HB SER 73 -3.753 -18.122 0.163 602 2HB SER 73 1HB SER 73 -3.560 -17.685 1.858 603 HG SER 73 HG SER 73 -3.416 -20.333 0.837 604 H GLY 74 H GLY 74 -4.302 -18.287 3.708 605 1HA GLY 74 2HA GLY 74 -5.270 -19.169 5.851 606 2HA GLY 74 1HA GLY 74 -5.473 -20.710 5.016 607 H SER 75 H SER 75 -3.217 -21.359 3.886 608 HA SER 75 HA SER 75 -1.219 -21.275 6.095 609 1HB SER 75 2HB SER 75 -1.907 -23.529 5.554 610 2HB SER 75 1HB SER 75 -1.645 -23.252 3.835 611 HG SER 75 HG SER 75 0.262 -23.396 5.923 612 H MET 76 H MET 76 -0.307 -22.159 2.794 613 HA MET 76 HA MET 76 1.359 -21.256 1.419 614 1HB MET 76 2HB MET 76 -0.663 -19.228 1.942 615 2HB MET 76 1HB MET 76 0.900 -18.488 1.608 616 1HG MET 76 2HG MET 76 -0.261 -18.796 -0.500 617 2HG MET 76 1HG MET 76 1.081 -19.940 -0.436 618 1HE MET 76 3HE MET 76 -0.937 -19.899 -2.316 619 2HE MET 76 2HE MET 76 -0.674 -21.630 -2.514 620 3HE MET 76 1HE MET 76 -2.305 -21.018 -2.247 621 H LEU 77 H LEU 77 3.242 -21.718 2.624 622 HA LEU 77 HA LEU 77 4.154 -20.202 4.868 623 1HB LEU 77 2HB LEU 77 5.168 -22.329 3.163 624 2HB LEU 77 1HB LEU 77 6.446 -21.174 3.540 625 HG LEU 77 HG LEU 77 5.556 -21.355 5.987 626 1HD1 LEU 77 1HD1 LEU 77 3.631 -22.893 4.858 627 2HD1 LEU 77 3HD1 LEU 77 4.799 -24.142 5.292 628 3HD1 LEU 77 2HD1 LEU 77 4.147 -23.073 6.534 629 1HD2 LEU 77 3HD2 LEU 77 7.747 -22.211 5.108 630 2HD2 LEU 77 2HD2 LEU 77 7.082 -23.201 6.408 631 3HD2 LEU 77 1HD2 LEU 77 6.951 -23.740 4.734 632 H SER 78 H SER 78 5.581 -18.447 4.994 633 HA SER 78 HA SER 78 6.593 -16.447 4.318 634 1HB SER 78 2HB SER 78 6.904 -17.452 1.519 635 2HB SER 78 1HB SER 78 8.043 -16.559 2.519 636 HG SER 78 HG SER 78 8.857 -18.520 2.694 637 H ASN 79 H ASN 79 4.351 -15.575 4.516 638 HA ASN 79 HA ASN 79 3.139 -14.908 1.866 639 1HB ASN 79 2HB ASN 79 1.096 -14.350 3.205 640 2HB ASN 79 1HB ASN 79 1.578 -16.040 3.355 641 1HD2 ASN 79 2HD2 ASN 79 1.656 -13.627 6.625 642 2HD2 ASN 79 1HD2 ASN 79 1.224 -13.018 5.101 643 H ASN 80 H ASN 80 2.148 -12.655 1.811 644 HA ASN 80 HA ASN 80 2.445 -10.332 1.913 645 1HB ASN 80 2HB ASN 80 3.041 -11.267 4.693 646 2HB ASN 80 1HB ASN 80 3.440 -9.602 4.273 647 1HD2 ASN 80 2HD2 ASN 80 -0.238 -10.124 5.363 648 2HD2 ASN 80 1HD2 ASN 80 1.165 -10.855 5.979 649 H ASP 81 H ASP 81 4.465 -11.701 0.588 650 HA ASP 81 HA ASP 81 7.097 -10.992 1.573 651 1HB ASP 81 2HB ASP 81 6.175 -12.710 -0.350 652 2HB ASP 81 1HB ASP 81 6.776 -11.383 -1.343 653 H SER 82 H SER 82 8.286 -9.838 -0.727 654 HA SER 82 HA SER 82 7.582 -7.046 -0.304 655 1HB SER 82 2HB SER 82 9.864 -8.408 -1.108 656 2HB SER 82 1HB SER 82 9.350 -7.582 -2.575 657 HG SER 82 HG SER 82 9.405 -5.648 -1.478 658 H ARG 83 H ARG 83 6.208 -9.386 -2.303 659 HA ARG 83 HA ARG 83 5.642 -7.493 -4.514 660 1HB ARG 83 2HB ARG 83 5.552 -10.424 -4.143 661 2HB ARG 83 1HB ARG 83 4.224 -9.768 -5.099 662 1HG ARG 83 2HG ARG 83 6.111 -8.442 -6.338 663 2HG ARG 83 1HG ARG 83 7.179 -9.667 -5.654 664 1HD ARG 83 2HD ARG 83 5.906 -11.447 -6.701 665 2HD ARG 83 1HD ARG 83 4.689 -10.301 -7.261 666 HE ARG 83 HE ARG 83 7.365 -9.680 -8.239 667 1HH1 ARG 83 1HH2 ARG 83 4.622 -9.364 -9.612 668 2HH1 ARG 83 2HH2 ARG 83 4.779 -10.512 -10.900 669 1HH2 ARG 83 2HH1 ARG 83 7.522 -12.108 -9.505 670 2HH2 ARG 83 1HH1 ARG 83 6.419 -12.063 -10.840 671 H TRP 84 H TRP 84 3.853 -6.240 -4.403 672 HA TRP 84 HA TRP 84 1.514 -7.235 -2.823 673 1HB TRP 84 2HB TRP 84 2.522 -4.383 -3.069 674 2HB TRP 84 1HB TRP 84 1.050 -4.868 -2.228 675 HD1 TRP 84 HD1 TRP 84 4.754 -6.024 -2.144 676 HE1 TRP 84 HE1 TRP 84 5.437 -6.325 0.321 677 HE3 TRP 84 HE3 TRP 84 0.370 -4.751 0.148 678 HZ2 TRP 84 HZ2 TRP 84 4.282 -6.059 2.923 679 HZ3 TRP 84 HZ3 TRP 84 0.190 -4.783 2.620 680 HH2 TRP 84 HH2 TRP 84 2.139 -5.435 4.009 681 H GLU 85 H GLU 85 -0.340 -7.343 -4.028 682 HA GLU 85 HA GLU 85 -0.464 -5.708 -6.536 683 1HB GLU 85 2HB GLU 85 -0.983 -8.606 -6.055 684 2HB GLU 85 1HB GLU 85 -2.050 -7.770 -7.185 685 1HG GLU 85 2HG GLU 85 -0.030 -6.925 -8.394 686 2HG GLU 85 1HG GLU 85 0.975 -7.905 -7.324 687 H PHE 86 H PHE 86 -2.079 -4.235 -6.361 688 HA PHE 86 HA PHE 86 -4.394 -4.854 -4.581 689 1HB PHE 86 2HB PHE 86 -3.831 -2.149 -5.803 690 2HB PHE 86 1HB PHE 86 -4.763 -2.525 -4.359 691 HD1 PHE 86 HD2 PHE 86 -2.860 -4.421 -2.982 692 HD2 PHE 86 HD1 PHE 86 -2.168 -0.688 -4.998 693 HE1 PHE 86 HE2 PHE 86 -0.830 -4.048 -1.606 694 HE2 PHE 86 HE1 PHE 86 -0.143 -0.319 -3.615 695 HZ PHE 86 HZ PHE 86 0.524 -1.999 -1.920 696 H GLU 87 H GLU 87 -6.191 -5.550 -5.608 697 HA GLU 87 HA GLU 87 -6.648 -4.626 -8.416 698 1HB GLU 87 2HB GLU 87 -6.739 -7.289 -7.182 699 2HB GLU 87 1HB GLU 87 -8.205 -6.904 -8.084 700 1HG GLU 87 2HG GLU 87 -6.972 -7.653 -9.858 701 2HG GLU 87 1HG GLU 87 -6.339 -6.007 -9.833 702 H ASN 88 H ASN 88 -9.019 -4.581 -9.000 703 HA ASN 88 HA ASN 88 -10.477 -3.072 -6.976 704 1HB ASN 88 2HB ASN 88 -10.495 -2.641 -9.496 705 2HB ASN 88 1HB ASN 88 -11.546 -4.051 -9.629 706 1HD2 ASN 88 2HD2 ASN 88 -14.308 -1.951 -9.035 707 2HD2 ASN 88 1HD2 ASN 88 -13.583 -3.114 -10.034 708 H GLU 89 H GLU 89 -12.708 -3.636 -6.337 709 HA GLU 89 HA GLU 89 -12.899 -6.431 -5.507 710 1HB GLU 89 2HB GLU 89 -13.639 -4.371 -4.164 711 2HB GLU 89 1HB GLU 89 -15.046 -4.324 -5.225 712 1HG GLU 89 2HG GLU 89 -15.396 -6.791 -4.606 713 2HG GLU 89 1HG GLU 89 -14.231 -6.512 -3.310 714 H ARG 90 H ARG 90 -14.101 -4.527 -8.149 715 HA ARG 90 HA ARG 90 -15.450 -5.071 -9.960 716 1HB ARG 90 2HB ARG 90 -13.991 -7.043 -10.124 717 2HB ARG 90 1HB ARG 90 -14.999 -7.908 -8.972 718 1HG ARG 90 2HG ARG 90 -16.946 -7.472 -10.594 719 2HG ARG 90 1HG ARG 90 -15.712 -7.012 -11.766 720 1HD ARG 90 2HD ARG 90 -15.759 -9.245 -12.267 721 2HD ARG 90 1HD ARG 90 -14.662 -9.350 -10.890 722 HE ARG 90 HE ARG 90 -17.293 -9.510 -9.864 723 1HH1 ARG 90 1HH2 ARG 90 -14.701 -11.435 -10.358 724 2HH1 ARG 90 2HH2 ARG 90 -15.571 -12.892 -10.707 725 1HH2 ARG 90 2HH1 ARG 90 -18.636 -11.301 -11.008 726 2HH2 ARG 90 1HH1 ARG 90 -17.799 -12.816 -11.076 727 H HIS 91 H HIS 91 -16.817 -7.873 -8.282 728 HA HIS 91 HA HIS 91 -19.016 -6.345 -7.125 729 1HB HIS 91 2HB HIS 91 -19.295 -6.722 -9.775 730 2HB HIS 91 1HB HIS 91 -19.943 -8.261 -9.208 731 HD1 HIS 91 HD1 HIS 91 -21.879 -8.022 -7.294 732 HD2 HIS 91 HD2 HIS 91 -21.090 -4.621 -9.570 733 HE1 HIS 91 HE1 HIS 91 -23.862 -6.479 -6.986 734 H ALA 92 HN ALA 92 -19.337 -7.460 -5.264 735 HA ALA 92 HA ALA 92 -19.588 -9.253 -3.769 736 1HB ALA 92 2HB ALA 92 -21.425 -9.720 -5.488 737 2HB ALA 92 1HB ALA 92 -20.318 -10.891 -6.204 738 3HB ALA 92 3HB ALA 92 -20.876 -11.105 -4.544 No H/Q in entry = 738 Start of MODEL 10 Raw file had 756 H/Q atoms Start of MODEL 10 1 1H ALA 1 3H ALA 1 -12.666 17.433 -9.630 2 2H ALA 1 2H ALA 1 -14.213 18.086 -9.888 3 3H ALA 1 1H ALA 1 -13.441 18.289 -8.388 4 HA ALA 1 HA ALA 1 -14.914 16.600 -7.922 5 1HB ALA 1 1HB ALA 1 -14.197 15.473 -10.647 6 2HB ALA 1 3HB ALA 1 -15.329 14.740 -9.511 7 3HB ALA 1 2HB ALA 1 -15.697 16.305 -10.236 8 H ARG 2 H ARG 2 -14.437 14.118 -7.534 9 HA ARG 2 HA ARG 2 -12.979 12.513 -6.647 10 1HB ARG 2 2HB ARG 2 -11.739 13.467 -9.036 11 2HB ARG 2 1HB ARG 2 -10.471 13.321 -7.820 12 1HG ARG 2 2HG ARG 2 -10.484 11.154 -8.616 13 2HG ARG 2 1HG ARG 2 -11.699 10.999 -7.347 14 1HD ARG 2 2HD ARG 2 -12.714 10.030 -9.260 15 2HD ARG 2 1HD ARG 2 -13.413 11.647 -9.161 16 HE ARG 2 HE ARG 2 -11.454 12.211 -10.843 17 1HH1 ARG 2 1HH2 ARG 2 -10.908 9.205 -11.081 18 2HH1 ARG 2 2HH2 ARG 2 -11.769 8.832 -12.537 19 1HH2 ARG 2 2HH1 ARG 2 -13.596 11.780 -12.522 20 2HH2 ARG 2 1HH1 ARG 2 -13.292 10.292 -13.354 21 HA PRO 3 HA PRO 3 -10.996 14.788 -3.478 22 1HB PRO 3 2HB PRO 3 -9.723 12.786 -2.101 23 2HB PRO 3 1HB PRO 3 -11.471 13.069 -2.021 24 1HG PRO 3 2HG PRO 3 -9.986 10.910 -3.421 25 2HG PRO 3 1HG PRO 3 -11.653 10.922 -2.821 26 1HD PRO 3 2HD PRO 3 -10.840 11.271 -5.515 27 2HD PRO 3 1HD PRO 3 -12.465 11.546 -4.860 28 H ALA 4 H ALA 4 -8.820 15.355 -2.613 29 HA ALA 4 HA ALA 4 -6.850 15.610 -4.667 30 1HB ALA 4 1HB ALA 4 -6.911 16.115 -1.711 31 2HB ALA 4 3HB ALA 4 -5.364 16.165 -2.556 32 3HB ALA 4 2HB ALA 4 -6.664 17.256 -3.033 33 H PHE 5 H PHE 5 -7.450 13.060 -2.355 34 HA PHE 5 HA PHE 5 -4.764 11.963 -2.407 35 1HB PHE 5 2HB PHE 5 -6.423 11.497 -0.590 36 2HB PHE 5 1HB PHE 5 -7.342 10.518 -1.736 37 HD1 PHE 5 HD2 PHE 5 -4.091 10.851 0.015 38 HD2 PHE 5 HD1 PHE 5 -6.596 8.334 -2.398 39 HE1 PHE 5 HE2 PHE 5 -2.565 8.936 0.429 40 HE2 PHE 5 HE1 PHE 5 -5.072 6.422 -1.994 41 HZ PHE 5 HZ PHE 5 -3.055 6.723 -0.579 42 H VAL 6 H VAL 6 -7.830 10.924 -4.029 43 HA VAL 6 HA VAL 6 -6.581 8.842 -5.541 44 HB VAL 6 HB VAL 6 -8.994 10.453 -6.417 45 1HG1 VAL 6 1HG1 VAL 6 -7.926 7.681 -7.030 46 2HG1 VAL 6 3HG1 VAL 6 -9.570 8.186 -7.430 47 3HG1 VAL 6 2HG1 VAL 6 -8.192 9.007 -8.160 48 1HG2 VAL 6 3HG2 VAL 6 -8.788 9.173 -3.998 49 2HG2 VAL 6 2HG2 VAL 6 -10.297 9.357 -4.890 50 3HG2 VAL 6 1HG2 VAL 6 -9.371 7.863 -5.025 51 H ASN 7 H ASN 7 -6.861 12.312 -6.082 52 HA ASN 7 HA ASN 7 -5.971 12.306 -8.832 53 1HB ASN 7 2HB ASN 7 -5.943 14.380 -6.628 54 2HB ASN 7 1HB ASN 7 -5.222 14.706 -8.204 55 1HD2 ASN 7 1HD2 ASN 7 -6.823 14.038 -10.121 56 2HD2 ASN 7 2HD2 ASN 7 -8.435 14.527 -9.909 57 H LYS 8 H LYS 8 -4.399 12.345 -5.690 58 HA LYS 8 HA LYS 8 -1.697 12.701 -6.634 59 1HB LYS 8 2HB LYS 8 -2.040 13.185 -4.348 60 2HB LYS 8 1HB LYS 8 -3.004 11.742 -4.088 61 1HG LYS 8 2HG LYS 8 -0.242 11.164 -4.929 62 2HG LYS 8 1HG LYS 8 -0.347 12.027 -3.393 63 1HD LYS 8 2HD LYS 8 -1.668 10.329 -2.392 64 2HD LYS 8 1HD LYS 8 -2.086 9.621 -3.949 65 1HE LYS 8 2HE LYS 8 0.719 9.530 -3.864 66 2HE LYS 8 1HE LYS 8 0.199 9.070 -2.241 67 1HZ LYS 8 3HZ LYS 8 -1.490 7.617 -3.541 68 2HZ LYS 8 2HZ LYS 8 -0.375 7.773 -4.813 69 3HZ LYS 8 1HZ LYS 8 0.106 7.078 -3.340 70 H LEU 9 H LEU 9 -3.897 9.983 -6.421 71 HA LEU 9 HA LEU 9 -1.953 7.871 -6.552 72 1HB LEU 9 2HB LEU 9 -4.491 7.762 -5.983 73 2HB LEU 9 1HB LEU 9 -4.719 7.685 -7.730 74 HG LEU 9 HG LEU 9 -3.157 5.753 -7.810 75 1HD1 LEU 9 1HD1 LEU 9 -3.007 6.405 -4.908 76 2HD1 LEU 9 3HD1 LEU 9 -3.032 4.693 -5.331 77 3HD1 LEU 9 2HD1 LEU 9 -1.767 5.741 -5.973 78 1HD2 LEU 9 3HD2 LEU 9 -5.570 5.522 -5.994 79 2HD2 LEU 9 2HD2 LEU 9 -5.533 5.297 -7.743 80 3HD2 LEU 9 1HD2 LEU 9 -4.726 4.138 -6.687 81 H TRP 10 H TRP 10 -3.594 9.835 -8.999 82 HA TRP 10 HA TRP 10 -2.402 8.242 -11.182 83 1HB TRP 10 2HB TRP 10 -3.917 10.844 -11.503 84 2HB TRP 10 1HB TRP 10 -3.709 9.555 -12.683 85 HD1 TRP 10 HD1 TRP 10 -6.333 10.896 -10.779 86 HE1 TRP 10 HE1 TRP 10 -8.113 9.155 -10.117 87 HE3 TRP 10 HE3 TRP 10 -3.717 6.592 -11.611 88 HZ2 TRP 10 HZ2 TRP 10 -8.390 6.313 -9.950 89 HZ3 TRP 10 HZ3 TRP 10 -4.760 4.384 -11.195 90 HH2 TRP 10 HH2 TRP 10 -7.092 4.237 -10.367 91 H SER 11 H SER 11 -0.276 8.962 -10.010 92 HA SER 11 HA SER 11 1.149 10.739 -11.733 93 1HB SER 11 2HB SER 11 -0.296 12.211 -9.968 94 2HB SER 11 1HB SER 11 1.139 11.908 -8.992 95 HG SER 11 HG SER 11 1.035 13.020 -11.606 96 H MET 12 H MET 12 0.868 9.357 -8.498 97 HA MET 12 HA MET 12 3.761 8.864 -8.311 98 1HB MET 12 2HB MET 12 1.861 9.339 -6.427 99 2HB MET 12 1HB MET 12 1.877 7.576 -6.409 100 1HG MET 12 2HG MET 12 4.575 8.717 -6.494 101 2HG MET 12 1HG MET 12 3.667 9.244 -5.079 102 1HE MET 12 1HE MET 12 2.161 7.847 -3.917 103 2HE MET 12 3HE MET 12 1.753 6.265 -4.597 104 3HE MET 12 2HE MET 12 2.712 6.376 -3.123 105 H VAL 13 H VAL 13 0.749 7.142 -8.957 106 HA VAL 13 HA VAL 13 2.047 4.515 -9.027 107 HB VAL 13 HB VAL 13 -0.665 5.258 -10.151 108 1HG1 VAL 13 2HG1 VAL 13 0.841 2.766 -9.634 109 2HG1 VAL 13 1HG1 VAL 13 -0.831 2.747 -9.072 110 3HG1 VAL 13 3HG1 VAL 13 -0.475 3.074 -10.767 111 1HG2 VAL 13 1HG2 VAL 13 -0.445 6.021 -7.789 112 2HG2 VAL 13 3HG2 VAL 13 -1.588 4.690 -7.959 113 3HG2 VAL 13 2HG2 VAL 13 0.026 4.384 -7.328 114 H ASN 14 H ASN 14 1.568 7.139 -11.249 115 HA ASN 14 HA ASN 14 1.499 5.708 -13.701 116 1HB ASN 14 2HB ASN 14 1.075 8.179 -13.375 117 2HB ASN 14 1HB ASN 14 2.814 8.409 -13.287 118 1HD2 ASN 14 2HD2 ASN 14 1.035 7.642 -16.880 119 2HD2 ASN 14 1HD2 ASN 14 0.143 7.563 -15.437 120 H ASP 15 H ASP 15 4.465 7.612 -13.108 121 HA ASP 15 HA ASP 15 6.295 5.552 -12.602 122 1HB ASP 15 2HB ASP 15 7.213 5.219 -14.980 123 2HB ASP 15 1HB ASP 15 5.729 4.359 -14.582 124 H LYS 16 H LYS 16 5.666 8.548 -14.356 125 HA LYS 16 HA LYS 16 8.195 9.482 -14.994 126 1HB LYS 16 2HB LYS 16 6.001 10.695 -15.303 127 2HB LYS 16 1HB LYS 16 6.108 11.189 -13.613 128 1HG LYS 16 2HG LYS 16 7.770 12.697 -14.019 129 2HG LYS 16 1HG LYS 16 8.549 11.667 -15.221 130 1HD LYS 16 2HD LYS 16 6.400 12.227 -16.651 131 2HD LYS 16 1HD LYS 16 6.297 13.620 -15.575 132 1HE LYS 16 2HE LYS 16 7.951 14.663 -16.690 133 2HE LYS 16 1HE LYS 16 9.025 13.282 -16.476 134 1HZ LYS 16 1HZ LYS 16 7.759 12.226 -18.359 135 2HZ LYS 16 3HZ LYS 16 7.068 13.747 -18.649 136 3HZ LYS 16 2HZ LYS 16 8.749 13.541 -18.778 137 H SER 17 H SER 17 6.693 10.291 -11.821 138 HA SER 17 HA SER 17 9.078 11.308 -10.657 139 1HB SER 17 2HB SER 17 6.410 10.825 -9.823 140 2HB SER 17 1HB SER 17 7.453 10.045 -8.639 141 HG SER 17 HG SER 17 7.323 12.744 -9.433 142 H ASN 18 H ASN 18 7.604 8.087 -10.094 143 HA ASN 18 HA ASN 18 10.309 7.107 -9.281 144 1HB ASN 18 2HB ASN 18 8.835 5.048 -8.498 145 2HB ASN 18 1HB ASN 18 8.925 6.494 -7.497 146 1HD2 ASN 18 2HD2 ASN 18 5.532 7.412 -8.040 147 2HD2 ASN 18 1HD2 ASN 18 7.048 7.951 -7.504 148 H GLU 19 H GLU 19 10.657 7.190 -11.725 149 HA GLU 19 HA GLU 19 9.332 5.193 -13.378 150 1HB GLU 19 2HB GLU 19 11.287 7.333 -13.720 151 2HB GLU 19 1HB GLU 19 11.752 5.894 -14.621 152 1HG GLU 19 2HG GLU 19 9.154 5.940 -15.276 153 2HG GLU 19 1HG GLU 19 9.383 7.662 -14.975 154 H LYS 20 H LYS 20 9.697 3.331 -11.993 155 HA LYS 20 HA LYS 20 11.536 1.450 -12.788 156 1HB LYS 20 2HB LYS 20 13.366 2.931 -11.922 157 2HB LYS 20 1HB LYS 20 12.627 2.880 -10.327 158 1HG LYS 20 2HG LYS 20 14.143 1.164 -10.078 159 2HG LYS 20 1HG LYS 20 12.816 0.237 -10.773 160 1HD LYS 20 2HD LYS 20 13.806 0.667 -13.050 161 2HD LYS 20 1HD LYS 20 15.202 1.387 -12.245 162 1HE LYS 20 2HE LYS 20 15.952 -0.639 -11.426 163 2HE LYS 20 1HE LYS 20 14.328 -1.321 -11.336 164 1HZ LYS 20 3HZ LYS 20 14.427 -1.142 -13.892 165 2HZ LYS 20 2HZ LYS 20 16.109 -1.071 -13.666 166 3HZ LYS 20 1HZ LYS 20 15.232 -2.422 -13.124 167 H PHE 21 H PHE 21 9.799 2.898 -10.082 168 HA PHE 21 HA PHE 21 9.231 0.160 -9.019 169 1HB PHE 21 2HB PHE 21 8.777 2.812 -7.625 170 2HB PHE 21 1HB PHE 21 8.715 1.204 -6.906 171 HD1 PHE 21 HD1 PHE 21 10.860 -0.221 -6.970 172 HD2 PHE 21 HD2 PHE 21 10.812 4.012 -7.697 173 HE1 PHE 21 HE1 PHE 21 13.290 -0.112 -6.493 174 HE2 PHE 21 HE2 PHE 21 13.244 4.122 -7.218 175 HZ PHE 21 HZ PHE 21 14.482 2.058 -6.616 176 H ILE 22 H ILE 22 7.040 -0.290 -8.384 177 HA ILE 22 HA ILE 22 4.789 -0.497 -8.843 178 HB ILE 22 HB ILE 22 4.860 1.586 -7.412 179 1HG1 ILE 22 2HG1 ILE 22 2.574 1.544 -9.386 180 2HG1 ILE 22 1HG1 ILE 22 2.797 0.298 -8.157 181 1HG2 ILE 22 3HG2 ILE 22 4.772 2.885 -10.129 182 2HG2 ILE 22 2HG2 ILE 22 3.979 3.646 -8.754 183 3HG2 ILE 22 1HG2 ILE 22 5.713 3.338 -8.707 184 1HD1 ILE 22 1HD1 ILE 22 2.811 3.203 -7.375 185 2HD1 ILE 22 3HD1 ILE 22 1.280 2.357 -7.606 186 3HD1 ILE 22 2HD1 ILE 22 2.426 1.792 -6.389 187 H HIS 23 H HIS 23 3.161 -0.446 -10.456 188 HA HIS 23 HA HIS 23 3.270 1.018 -12.888 189 1HB HIS 23 2HB HIS 23 5.369 -0.735 -12.846 190 2HB HIS 23 1HB HIS 23 4.122 -1.738 -13.585 191 HD1 HIS 23 HD1 HIS 23 5.522 1.793 -14.008 192 HD2 HIS 23 HD2 HIS 23 3.875 -1.283 -16.291 193 HE1 HIS 23 HE1 HIS 23 5.620 2.558 -16.421 194 H TRP 24 H TRP 24 1.471 0.488 -14.196 195 HA TRP 24 HA TRP 24 -0.621 -1.031 -12.911 196 1HB TRP 24 2HB TRP 24 -0.632 -0.256 -15.832 197 2HB TRP 24 1HB TRP 24 -2.005 -0.428 -14.746 198 HD1 TRP 24 HD1 TRP 24 -0.531 1.324 -12.355 199 HE1 TRP 24 HE1 TRP 24 -0.544 3.889 -12.613 200 HE3 TRP 24 HE3 TRP 24 -1.398 1.700 -17.373 201 HZ2 TRP 24 HZ2 TRP 24 -0.883 5.841 -14.676 202 HZ3 TRP 24 HZ3 TRP 24 -1.566 3.921 -18.458 203 HH2 TRP 24 HH2 TRP 24 -1.311 5.991 -17.117 204 H SER 25 H SER 25 -1.377 -3.103 -13.381 205 HA SER 25 HA SER 25 0.488 -5.002 -14.467 206 1HB SER 25 2HB SER 25 -1.491 -5.385 -12.814 207 2HB SER 25 1HB SER 25 -2.474 -5.525 -14.270 208 HG SER 25 HG SER 25 -1.734 -7.554 -13.809 209 H THR 26 H THR 26 -0.071 -6.461 -16.356 210 HA THR 26 HA THR 26 -0.548 -4.854 -18.720 211 HB THR 26 HB THR 26 -0.470 -7.877 -18.541 212 HG1 THR 26 HG1 THR 26 1.477 -7.527 -17.847 213 1HG2 THR 26 2HG2 THR 26 -0.403 -5.849 -20.702 214 2HG2 THR 26 1HG2 THR 26 0.759 -7.166 -20.853 215 3HG2 THR 26 3HG2 THR 26 -0.964 -7.521 -20.741 216 H SER 27 H SER 27 -2.488 -7.078 -16.786 217 HA SER 27 HA SER 27 -4.683 -7.115 -18.736 218 1HB SER 27 2HB SER 27 -4.342 -9.080 -17.330 219 2HB SER 27 1HB SER 27 -4.502 -8.103 -15.873 220 HG SER 27 HG SER 27 -6.411 -9.292 -17.234 221 H GLY 28 H GLY 28 -5.387 -4.970 -18.966 222 1HA GLY 28 2HA GLY 28 -6.717 -3.111 -18.417 223 2HA GLY 28 1HA GLY 28 -7.208 -3.981 -16.962 224 H GLU 29 H GLU 29 -6.975 -2.134 -15.611 225 HA GLU 29 HA GLU 29 -4.393 -0.752 -15.502 226 1HB GLU 29 2HB GLU 29 -6.467 0.511 -15.136 227 2HB GLU 29 1HB GLU 29 -6.860 -0.500 -13.749 228 1HG GLU 29 2HG GLU 29 -5.131 0.400 -12.443 229 2HG GLU 29 1HG GLU 29 -4.231 0.965 -13.852 230 H SER 30 H SER 30 -5.970 -1.651 -12.456 231 HA SER 30 HA SER 30 -5.168 -2.885 -10.638 232 1HB SER 30 2HB SER 30 -3.577 -4.443 -12.690 233 2HB SER 30 1HB SER 30 -4.097 -4.991 -11.099 234 HG SER 30 HG SER 30 -6.091 -5.255 -11.827 235 H ILE 31 H ILE 31 -3.211 -3.139 -9.302 236 HA ILE 31 HA ILE 31 -0.872 -1.593 -10.363 237 HB ILE 31 HB ILE 31 -1.838 -1.496 -7.492 238 1HG1 ILE 31 2HG1 ILE 31 -2.247 0.594 -9.654 239 2HG1 ILE 31 1HG1 ILE 31 -3.503 -0.529 -9.130 240 1HG2 ILE 31 1HG2 ILE 31 0.607 -0.914 -8.452 241 2HG2 ILE 31 3HG2 ILE 31 -0.191 0.622 -8.789 242 3HG2 ILE 31 2HG2 ILE 31 -0.130 0.004 -7.138 243 1HD1 ILE 31 1HD1 ILE 31 -2.087 0.996 -6.998 244 2HD1 ILE 31 3HD1 ILE 31 -3.207 1.899 -8.019 245 3HD1 ILE 31 2HD1 ILE 31 -3.779 0.507 -7.098 246 H VAL 32 H VAL 32 0.704 -3.110 -10.592 247 HA VAL 32 HA VAL 32 0.937 -5.271 -8.560 248 HB VAL 32 HB VAL 32 2.332 -4.927 -11.237 249 1HG1 VAL 32 3HG1 VAL 32 2.590 -6.871 -9.008 250 2HG1 VAL 32 2HG1 VAL 32 2.496 -7.573 -10.623 251 3HG1 VAL 32 1HG1 VAL 32 3.764 -6.408 -10.240 252 1HG2 VAL 32 2HG2 VAL 32 -0.238 -5.369 -11.104 253 2HG2 VAL 32 1HG2 VAL 32 0.740 -6.405 -12.145 254 3HG2 VAL 32 3HG2 VAL 32 0.233 -6.979 -10.557 255 H VAL 33 H VAL 33 2.793 -5.502 -7.304 256 HA VAL 33 HA VAL 33 4.920 -3.428 -7.607 257 HB VAL 33 HB VAL 33 3.617 -4.288 -5.004 258 1HG1 VAL 33 3HG1 VAL 33 6.171 -3.026 -5.610 259 2HG1 VAL 33 2HG1 VAL 33 5.163 -1.974 -4.617 260 3HG1 VAL 33 1HG1 VAL 33 5.551 -3.603 -4.064 261 1HG2 VAL 33 1HG2 VAL 33 2.393 -2.670 -6.650 262 2HG2 VAL 33 3HG2 VAL 33 2.537 -2.199 -4.957 263 3HG2 VAL 33 2HG2 VAL 33 3.622 -1.504 -6.160 264 HA PRO 34 HA PRO 34 6.983 -7.385 -7.141 265 1HB PRO 34 2HB PRO 34 9.360 -6.692 -8.323 266 2HB PRO 34 1HB PRO 34 7.936 -7.229 -9.232 267 1HG PRO 34 2HG PRO 34 9.071 -4.497 -8.977 268 2HG PRO 34 1HG PRO 34 8.065 -5.181 -10.264 269 1HD PRO 34 2HD PRO 34 7.191 -3.463 -8.182 270 2HD PRO 34 1HD PRO 34 6.160 -4.356 -9.315 271 H ASN 35 H ASN 35 8.119 -4.177 -6.260 272 HA ASN 35 HA ASN 35 9.545 -5.387 -3.938 273 1HB ASN 35 2HB ASN 35 10.903 -4.310 -6.074 274 2HB ASN 35 1HB ASN 35 10.772 -2.919 -5.001 275 1HD2 ASN 35 2HD2 ASN 35 13.760 -5.182 -4.153 276 2HD2 ASN 35 1HD2 ASN 35 13.190 -4.637 -5.657 277 H ARG 36 H ARG 36 7.500 -4.766 -2.874 278 HA ARG 36 HA ARG 36 6.652 -2.008 -2.748 279 1HB ARG 36 2HB ARG 36 5.740 -4.545 -1.772 280 2HB ARG 36 1HB ARG 36 5.817 -3.440 -0.403 281 1HG ARG 36 2HG ARG 36 4.685 -2.083 -2.702 282 2HG ARG 36 1HG ARG 36 3.801 -3.574 -2.387 283 1HD ARG 36 2HD ARG 36 3.521 -2.903 -0.026 284 2HD ARG 36 1HD ARG 36 4.393 -1.407 -0.351 285 HE ARG 36 HE ARG 36 1.620 -1.839 -0.898 286 1HH1 ARG 36 1HH2 ARG 36 4.256 0.204 -1.492 287 2HH1 ARG 36 2HH2 ARG 36 3.514 1.041 -2.813 288 1HH2 ARG 36 1HH1 ARG 36 1.543 0.335 -3.638 289 2HH2 ARG 36 2HH1 ARG 36 0.758 -1.051 -2.957 290 H GLU 37 H GLU 37 8.835 -3.995 -0.814 291 HA GLU 37 HA GLU 37 9.094 -2.226 1.414 292 1HB GLU 37 2HB GLU 37 11.228 -3.409 1.854 293 2HB GLU 37 1HB GLU 37 9.920 -4.534 1.496 294 1HG GLU 37 2HG GLU 37 10.736 -4.460 -0.939 295 2HG GLU 37 1HG GLU 37 12.185 -3.675 -0.312 296 H ARG 38 H ARG 38 10.886 -2.382 -1.666 297 HA ARG 38 HA ARG 38 12.666 -0.191 -0.929 298 1HB ARG 38 2HB ARG 38 12.247 -1.944 -3.279 299 2HB ARG 38 1HB ARG 38 12.851 -0.329 -3.648 300 1HG ARG 38 2HG ARG 38 14.825 -1.550 -3.269 301 2HG ARG 38 1HG ARG 38 14.539 -0.764 -1.717 302 1HD ARG 38 2HD ARG 38 14.086 -2.729 -0.660 303 2HD ARG 38 1HD ARG 38 13.200 -3.380 -2.039 304 HE ARG 38 HE ARG 38 15.833 -3.402 -2.888 305 1HH1 ARG 38 1HH2 ARG 38 15.589 -3.779 0.334 306 2HH1 ARG 38 2HH2 ARG 38 15.985 -5.463 0.396 307 1HH2 ARG 38 2HH1 ARG 38 15.713 -5.925 -3.030 308 2HH2 ARG 38 1HH1 ARG 38 16.056 -6.678 -1.509 309 H PHE 39 H PHE 39 9.546 -0.478 -2.477 310 HA PHE 39 HA PHE 39 9.428 1.978 -3.882 311 1HB PHE 39 2HB PHE 39 7.657 0.451 -4.243 312 2HB PHE 39 1HB PHE 39 7.361 0.246 -2.522 313 HD1 PHE 39 HD1 PHE 39 6.883 2.505 -5.434 314 HD2 PHE 39 HD2 PHE 39 6.019 1.808 -1.275 315 HE1 PHE 39 HE1 PHE 39 5.123 4.248 -5.500 316 HE2 PHE 39 HE2 PHE 39 4.263 3.556 -1.349 317 HZ PHE 39 HZ PHE 39 3.814 4.768 -3.459 318 H VAL 40 H VAL 40 8.228 1.335 -0.563 319 HA VAL 40 HA VAL 40 7.639 4.013 0.127 320 HB VAL 40 HB VAL 40 8.628 1.782 1.935 321 1HG1 VAL 40 1HG1 VAL 40 7.292 4.431 2.466 322 2HG1 VAL 40 3HG1 VAL 40 7.127 3.090 3.595 323 3HG1 VAL 40 2HG1 VAL 40 8.722 3.750 3.236 324 1HG2 VAL 40 1HG2 VAL 40 5.879 2.563 0.939 325 2HG2 VAL 40 3HG2 VAL 40 6.692 1.008 0.758 326 3HG2 VAL 40 2HG2 VAL 40 6.127 1.528 2.345 327 H GLN 41 H GLN 41 10.612 2.161 0.787 328 HA GLN 41 HA GLN 41 12.078 4.176 2.085 329 1HB GLN 41 2HB GLN 41 12.909 1.831 0.400 330 2HB GLN 41 1HB GLN 41 14.107 2.914 1.111 331 1HG GLN 41 2HG GLN 41 11.946 1.969 2.923 332 2HG GLN 41 1HG GLN 41 13.126 0.766 2.419 333 1HE2 GLN 41 2HE2 GLN 41 14.822 2.085 5.319 334 2HE2 GLN 41 1HE2 GLN 41 13.709 0.894 4.846 335 H GLU 42 H GLU 42 11.351 3.941 -1.347 336 HA GLU 42 HA GLU 42 13.061 6.364 -1.734 337 1HB GLU 42 2HB GLU 42 12.806 4.092 -3.721 338 2HB GLU 42 1HB GLU 42 13.809 5.533 -3.893 339 1HG GLU 42 2HG GLU 42 14.890 4.787 -1.653 340 2HG GLU 42 1HG GLU 42 14.154 3.219 -1.993 341 H VAL 43 H VAL 43 10.046 5.934 -1.431 342 HA VAL 43 HA VAL 43 9.327 7.630 -3.739 343 HB VAL 43 HB VAL 43 7.759 5.090 -3.211 344 1HG1 VAL 43 2HG1 VAL 43 6.524 7.039 -4.153 345 2HG1 VAL 43 1HG1 VAL 43 7.685 7.107 -5.478 346 3HG1 VAL 43 3HG1 VAL 43 6.633 5.703 -5.298 347 1HG2 VAL 43 2HG2 VAL 43 9.787 5.750 -5.372 348 2HG2 VAL 43 1HG2 VAL 43 9.935 4.489 -4.147 349 3HG2 VAL 43 3HG2 VAL 43 8.713 4.353 -5.410 350 H LEU 44 H LEU 44 8.217 6.030 -0.751 351 HA LEU 44 HA LEU 44 5.821 7.533 -0.442 352 1HB LEU 44 2HB LEU 44 6.483 5.467 0.840 353 2HB LEU 44 1HB LEU 44 7.555 6.482 1.801 354 HG LEU 44 HG LEU 44 5.505 7.942 2.275 355 1HD1 LEU 44 3HD1 LEU 44 4.260 6.622 0.340 356 2HD1 LEU 44 2HD1 LEU 44 3.893 5.493 1.643 357 3HD1 LEU 44 1HD1 LEU 44 3.371 7.174 1.759 358 1HD2 LEU 44 2HD2 LEU 44 6.597 5.964 3.680 359 2HD2 LEU 44 1HD2 LEU 44 5.095 6.724 4.206 360 3HD2 LEU 44 3HD2 LEU 44 5.051 5.184 3.348 361 HA PRO 45 HA PRO 45 8.284 10.637 2.163 362 1HB PRO 45 2HB PRO 45 10.996 10.837 1.801 363 2HB PRO 45 1HB PRO 45 10.240 9.879 3.085 364 1HG PRO 45 2HG PRO 45 11.506 8.961 0.547 365 2HG PRO 45 1HG PRO 45 11.373 8.126 2.104 366 1HD PRO 45 2HD PRO 45 9.780 7.616 -0.138 367 2HD PRO 45 1HD PRO 45 9.399 7.134 1.524 368 H LYS 46 H LYS 46 8.658 9.939 -1.147 369 HA LYS 46 HA LYS 46 9.619 12.640 -1.858 370 1HB LYS 46 2HB LYS 46 9.805 10.131 -3.079 371 2HB LYS 46 1HB LYS 46 8.635 11.001 -4.071 372 1HG LYS 46 2HG LYS 46 10.873 11.430 -4.927 373 2HG LYS 46 1HG LYS 46 10.238 12.910 -4.217 374 1HD LYS 46 2HD LYS 46 11.971 13.004 -2.783 375 2HD LYS 46 1HD LYS 46 11.565 11.409 -2.152 376 1HE LYS 46 2HE LYS 46 12.724 10.586 -4.388 377 2HE LYS 46 1HE LYS 46 13.518 12.159 -4.298 378 1HZ LYS 46 3HZ LYS 46 14.028 11.539 -1.912 379 2HZ LYS 46 2HZ LYS 46 13.588 9.952 -2.330 380 3HZ LYS 46 1HZ LYS 46 14.891 10.710 -3.114 381 H TYR 47 H TYR 47 6.827 11.844 -0.622 382 HA TYR 47 HA TYR 47 5.297 13.664 -2.385 383 1HB TYR 47 2HB TYR 47 4.525 10.836 -1.662 384 2HB TYR 47 1HB TYR 47 3.296 12.048 -2.033 385 HD1 TYR 47 HD2 TYR 47 6.325 10.345 -3.374 386 HD2 TYR 47 HD1 TYR 47 2.857 12.716 -4.271 387 HE1 TYR 47 HE2 TYR 47 6.721 10.005 -5.797 388 HE2 TYR 47 HE1 TYR 47 3.252 12.374 -6.696 389 HH TYR 47 HH TYR 47 5.362 11.837 -8.157 390 H PHE 48 H PHE 48 5.308 11.761 0.640 391 HA PHE 48 HA PHE 48 3.883 14.048 1.941 392 1HB PHE 48 2HB PHE 48 3.827 11.139 2.796 393 2HB PHE 48 1HB PHE 48 2.880 12.460 3.480 394 HD1 PHE 48 HD2 PHE 48 3.439 10.441 0.412 395 HD2 PHE 48 HD1 PHE 48 0.857 13.211 2.440 396 HE1 PHE 48 HE2 PHE 48 1.692 10.067 -1.306 397 HE2 PHE 48 HE1 PHE 48 -0.894 12.835 0.718 398 HZ PHE 48 HZ PHE 48 -0.472 11.267 -1.151 399 H LYS 49 H LYS 49 4.865 14.943 3.691 400 HA LYS 49 HA LYS 49 7.617 14.450 4.208 401 1HB LYS 49 2HB LYS 49 7.077 15.764 6.434 402 2HB LYS 49 1HB LYS 49 7.050 16.587 4.880 403 1HG LYS 49 2HG LYS 49 4.469 15.362 5.588 404 2HG LYS 49 1HG LYS 49 4.993 16.594 6.733 405 1HD LYS 49 2HD LYS 49 5.567 17.797 4.331 406 2HD LYS 49 1HD LYS 49 4.120 16.873 3.927 407 1HE LYS 49 2HE LYS 49 3.319 18.973 4.713 408 2HE LYS 49 1HE LYS 49 3.083 17.852 6.056 409 1HZ LYS 49 2HZ LYS 49 5.602 19.354 5.849 410 2HZ LYS 49 1HZ LYS 49 4.219 20.129 6.461 411 3HZ LYS 49 3HZ LYS 49 4.822 18.742 7.229 412 H HIS 50 H HIS 50 5.192 14.055 6.834 413 HA HIS 50 HA HIS 50 6.793 11.722 7.743 414 1HB HIS 50 2HB HIS 50 4.780 13.414 9.259 415 2HB HIS 50 1HB HIS 50 5.754 12.111 9.941 416 HD1 HIS 50 HD1 HIS 50 8.249 12.574 10.369 417 HD2 HIS 50 HD2 HIS 50 6.260 15.794 8.621 418 HE1 HIS 50 HE1 HIS 50 9.830 14.549 10.502 419 H SER 51 H SER 51 5.650 10.457 6.017 420 HA SER 51 HA SER 51 2.913 9.626 6.901 421 1HB SER 51 2HB SER 51 2.959 10.544 4.604 422 2HB SER 51 1HB SER 51 4.203 9.379 4.161 423 HG SER 51 HG SER 51 1.667 9.015 3.973 424 H ASN 52 H ASN 52 2.498 7.228 6.505 425 HA ASN 52 HA ASN 52 4.999 5.615 6.674 426 1HB ASN 52 2HB ASN 52 2.862 5.901 8.719 427 2HB ASN 52 1HB ASN 52 3.448 4.264 8.425 428 1HD2 ASN 52 2HD2 ASN 52 5.665 6.579 10.742 429 2HD2 ASN 52 1HD2 ASN 52 4.000 6.771 10.472 430 H PHE 53 H PHE 53 4.721 3.393 6.066 431 HA PHE 53 HA PHE 53 3.157 2.870 3.808 432 1HB PHE 53 2HB PHE 53 5.065 1.484 4.602 433 2HB PHE 53 1HB PHE 53 4.044 0.848 5.886 434 HD1 PHE 53 HD2 PHE 53 3.530 1.509 2.218 435 HD2 PHE 53 HD1 PHE 53 3.353 -1.323 5.444 436 HE1 PHE 53 HE2 PHE 53 2.618 -0.199 0.670 437 HE2 PHE 53 HE1 PHE 53 2.441 -3.032 3.895 438 HZ PHE 53 HZ PHE 53 2.075 -2.471 1.507 439 H ALA 54 H ALA 54 2.378 2.060 7.196 440 HA ALA 54 HA ALA 54 -0.057 0.697 6.749 441 1HB ALA 54 3HB ALA 54 1.138 2.203 9.016 442 2HB ALA 54 2HB ALA 54 -0.602 1.923 9.089 443 3HB ALA 54 1HB ALA 54 0.507 0.557 8.965 444 H SER 55 H SER 55 0.521 4.195 7.082 445 HA SER 55 HA SER 55 -2.226 4.991 7.028 446 1HB SER 55 2HB SER 55 0.068 6.318 7.458 447 2HB SER 55 1HB SER 55 -0.178 6.753 5.769 448 HG SER 55 HG SER 55 -1.265 8.241 7.002 449 H PHE 56 H PHE 56 0.119 4.387 4.437 450 HA PHE 56 HA PHE 56 -1.517 5.394 2.300 451 1HB PHE 56 2HB PHE 56 0.950 4.954 2.138 452 2HB PHE 56 1HB PHE 56 0.595 3.227 2.135 453 HD1 PHE 56 HD2 PHE 56 -1.162 6.097 0.484 454 HD2 PHE 56 HD1 PHE 56 1.012 2.432 -0.035 455 HE1 PHE 56 HE2 PHE 56 -1.588 6.194 -1.957 456 HE2 PHE 56 HE1 PHE 56 0.587 2.526 -2.477 457 HZ PHE 56 HZ PHE 56 -0.714 4.408 -3.438 458 H VAL 57 H VAL 57 -1.152 2.167 3.709 459 HA VAL 57 HA VAL 57 -2.812 0.787 1.830 460 HB VAL 57 HB VAL 57 -2.334 0.098 4.747 461 1HG1 VAL 57 3HG1 VAL 57 -3.448 -1.354 2.365 462 2HG1 VAL 57 2HG1 VAL 57 -2.565 -2.263 3.593 463 3HG1 VAL 57 1HG1 VAL 57 -4.013 -1.358 4.037 464 1HG2 VAL 57 2HG2 VAL 57 -0.338 0.481 3.006 465 2HG2 VAL 57 1HG2 VAL 57 -0.309 -0.854 4.158 466 3HG2 VAL 57 3HG2 VAL 57 -0.808 -1.138 2.491 467 H ARG 58 H ARG 58 -3.520 2.670 4.722 468 HA ARG 58 HA ARG 58 -6.263 1.797 4.997 469 1HB ARG 58 2HB ARG 58 -4.734 4.215 5.967 470 2HB ARG 58 1HB ARG 58 -6.461 4.031 6.271 471 1HG ARG 58 2HG ARG 58 -4.780 1.663 6.890 472 2HG ARG 58 1HG ARG 58 -4.556 3.062 7.939 473 1HD ARG 58 2HD ARG 58 -7.055 3.140 8.249 474 2HD ARG 58 1HD ARG 58 -7.158 1.622 7.357 475 HE ARG 58 HE ARG 58 -5.572 1.845 9.883 476 1HH1 ARG 58 2HH1 ARG 58 -6.516 -0.354 7.605 477 2HH1 ARG 58 1HH1 ARG 58 -7.315 -1.440 8.693 478 1HH2 ARG 58 1HH2 ARG 58 -7.178 0.735 11.389 479 2HH2 ARG 58 2HH2 ARG 58 -7.690 -0.824 10.834 480 H GLN 59 H GLN 59 -4.695 4.511 3.311 481 HA GLN 59 HA GLN 59 -7.066 5.852 2.470 482 1HB GLN 59 2HB GLN 59 -4.403 5.657 1.033 483 2HB GLN 59 1HB GLN 59 -5.658 6.853 0.720 484 1HG GLN 59 2HG GLN 59 -4.488 6.527 3.476 485 2HG GLN 59 1HG GLN 59 -3.701 7.539 2.265 486 1HE2 GLN 59 2HE2 GLN 59 -5.803 10.112 3.550 487 2HE2 GLN 59 1HE2 GLN 59 -4.221 9.496 3.524 488 H LEU 60 H LEU 60 -5.063 3.491 0.664 489 HA LEU 60 HA LEU 60 -6.747 3.344 -1.621 490 1HB LEU 60 2HB LEU 60 -4.985 1.164 -0.461 491 2HB LEU 60 1HB LEU 60 -5.604 1.223 -2.110 492 HG LEU 60 HG LEU 60 -3.941 3.469 -0.958 493 1HD1 LEU 60 3HD1 LEU 60 -3.100 0.835 -2.125 494 2HD1 LEU 60 2HD1 LEU 60 -2.131 2.271 -2.453 495 3HD1 LEU 60 1HD1 LEU 60 -2.386 1.740 -0.790 496 1HD2 LEU 60 2HD2 LEU 60 -5.290 3.875 -3.014 497 2HD2 LEU 60 1HD2 LEU 60 -3.556 3.962 -3.327 498 3HD2 LEU 60 3HD2 LEU 60 -4.467 2.525 -3.795 499 H ASN 61 H ASN 61 -6.791 1.470 1.396 500 HA ASN 61 HA ASN 61 -8.829 -0.380 0.610 501 1HB ASN 61 2HB ASN 61 -7.222 -0.121 2.800 502 2HB ASN 61 1HB ASN 61 -8.762 0.430 3.461 503 1HD2 ASN 61 2HD2 ASN 61 -8.617 -3.414 1.978 504 2HD2 ASN 61 1HD2 ASN 61 -7.677 -2.211 1.237 505 H MET 62 H MET 62 -8.954 2.940 1.695 506 HA MET 62 HA MET 62 -11.799 2.861 2.362 507 1HB MET 62 2HB MET 62 -9.715 5.024 2.146 508 2HB MET 62 1HB MET 62 -11.420 5.437 2.319 509 1HG MET 62 2HG MET 62 -10.530 3.351 4.198 510 2HG MET 62 1HG MET 62 -9.687 4.884 4.408 511 1HE MET 62 2HE MET 62 -10.621 4.248 6.606 512 2HE MET 62 1HE MET 62 -10.910 5.976 6.790 513 3HE MET 62 3HE MET 62 -12.164 4.814 7.241 514 H TYR 63 H TYR 63 -9.946 3.301 -0.543 515 HA TYR 63 HA TYR 63 -12.277 4.556 -1.904 516 1HB TYR 63 2HB TYR 63 -9.420 4.157 -2.831 517 2HB TYR 63 1HB TYR 63 -10.686 4.950 -3.768 518 HD1 TYR 63 HD2 TYR 63 -12.028 6.827 -2.402 519 HD2 TYR 63 HD1 TYR 63 -8.030 5.511 -1.539 520 HE1 TYR 63 HE2 TYR 63 -11.586 8.954 -1.207 521 HE2 TYR 63 HE1 TYR 63 -7.588 7.639 -0.343 522 HH TYR 63 HH TYR 63 -9.675 9.538 0.856 523 H GLY 64 H GLY 64 -10.962 1.462 -1.413 524 1HA GLY 64 2HA GLY 64 -12.176 -0.464 -2.315 525 2HA GLY 64 1HA GLY 64 -12.469 0.463 -3.785 526 H TRP 65 H TRP 65 -9.758 -0.828 -1.855 527 HA TRP 65 HA TRP 65 -8.488 -1.752 -4.378 528 1HB TRP 65 2HB TRP 65 -7.202 0.039 -2.299 529 2HB TRP 65 1HB TRP 65 -6.258 -0.926 -3.435 530 HD1 TRP 65 HD1 TRP 65 -7.835 2.363 -3.106 531 HE1 TRP 65 HE1 TRP 65 -7.993 3.550 -5.392 532 HE3 TRP 65 HE3 TRP 65 -6.821 -1.565 -6.208 533 HZ2 TRP 65 HZ2 TRP 65 -7.726 2.911 -8.168 534 HZ3 TRP 65 HZ3 TRP 65 -6.778 -1.249 -8.664 535 HH2 TRP 65 HH2 TRP 65 -7.229 0.982 -9.649 536 H HIS 66 H HIS 66 -8.771 -3.919 -3.843 537 HA HIS 66 HA HIS 66 -8.222 -4.911 -1.147 538 1HB HIS 66 2HB HIS 66 -8.961 -6.202 -3.770 539 2HB HIS 66 1HB HIS 66 -8.482 -7.177 -2.380 540 HD1 HIS 66 HD1 HIS 66 -11.450 -6.206 -3.884 541 HD2 HIS 66 HD2 HIS 66 -10.097 -5.882 0.045 542 HE1 HIS 66 HE1 HIS 66 -13.511 -5.939 -2.436 543 H LYS 67 H LYS 67 -6.754 -7.059 -1.191 544 HA LYS 67 HA LYS 67 -4.257 -6.490 -2.713 545 1HB LYS 67 2HB LYS 67 -4.474 -7.002 0.266 546 2HB LYS 67 1HB LYS 67 -2.957 -7.041 -0.631 547 1HG LYS 67 2HG LYS 67 -2.939 -4.761 -0.978 548 2HG LYS 67 1HG LYS 67 -4.698 -4.631 -0.938 549 1HD LYS 67 2HD LYS 67 -3.177 -5.414 1.539 550 2HD LYS 67 1HD LYS 67 -3.333 -3.716 1.089 551 1HE LYS 67 2HE LYS 67 -5.568 -3.656 1.561 552 2HE LYS 67 1HE LYS 67 -5.836 -5.303 0.992 553 1HZ LYS 67 3HZ LYS 67 -4.504 -4.575 3.544 554 2HZ LYS 67 2HZ LYS 67 -6.114 -5.095 3.396 555 3HZ LYS 67 1HZ LYS 67 -4.841 -6.148 3.002 556 H VAL 68 H VAL 68 -6.468 -8.543 -2.876 557 HA VAL 68 HA VAL 68 -6.774 -10.866 -2.998 558 HB VAL 68 HB VAL 68 -5.115 -11.969 -4.383 559 1HG1 VAL 68 2HG1 VAL 68 -5.795 -9.111 -4.943 560 2HG1 VAL 68 1HG1 VAL 68 -4.700 -9.950 -6.040 561 3HG1 VAL 68 3HG1 VAL 68 -6.326 -10.575 -5.770 562 1HG2 VAL 68 3HG2 VAL 68 -3.120 -11.139 -3.064 563 2HG2 VAL 68 2HG2 VAL 68 -2.924 -11.046 -4.814 564 3HG2 VAL 68 1HG2 VAL 68 -3.299 -9.591 -3.890 565 H GLN 69 H GLN 69 -4.938 -13.010 -2.738 566 HA GLN 69 HA GLN 69 -4.166 -12.797 0.143 567 1HB GLN 69 2HB GLN 69 -5.407 -15.133 -1.339 568 2HB GLN 69 1HB GLN 69 -4.756 -15.236 0.297 569 1HG GLN 69 2HG GLN 69 -6.551 -12.964 0.080 570 2HG GLN 69 1HG GLN 69 -7.362 -14.435 -0.452 571 1HE2 GLN 69 2HE2 GLN 69 -6.024 -14.259 3.442 572 2HE2 GLN 69 1HE2 GLN 69 -5.237 -13.329 2.259 573 H ASP 70 H ASP 70 -3.714 -15.201 -2.463 574 HA ASP 70 HA ASP 70 -0.916 -14.672 -2.826 575 1HB ASP 70 2HB ASP 70 -1.307 -15.861 -0.423 576 2HB ASP 70 1HB ASP 70 -1.194 -17.291 -1.449 577 H VAL 71 H VAL 71 -1.131 -15.082 -4.998 578 HA VAL 71 HA VAL 71 -1.950 -17.849 -5.764 579 HB VAL 71 HB VAL 71 -3.787 -16.277 -6.277 580 1HG1 VAL 71 1HG1 VAL 71 -2.172 -14.304 -6.543 581 2HG1 VAL 71 3HG1 VAL 71 -1.889 -14.896 -8.181 582 3HG1 VAL 71 2HG1 VAL 71 -3.506 -14.386 -7.695 583 1HG2 VAL 71 2HG2 VAL 71 -2.622 -18.117 -8.013 584 2HG2 VAL 71 1HG2 VAL 71 -4.222 -17.398 -8.196 585 3HG2 VAL 71 3HG2 VAL 71 -2.835 -16.686 -9.021 586 H LYS 72 H LYS 72 0.680 -17.281 -5.358 587 HA LYS 72 HA LYS 72 1.762 -17.012 -8.137 588 1HB LYS 72 2HB LYS 72 2.447 -15.564 -5.710 589 2HB LYS 72 1HB LYS 72 3.852 -16.432 -6.327 590 1HG LYS 72 2HG LYS 72 2.123 -14.828 -8.198 591 2HG LYS 72 1HG LYS 72 3.364 -14.032 -7.231 592 1HD LYS 72 2HD LYS 72 4.204 -16.503 -8.650 593 2HD LYS 72 1HD LYS 72 3.864 -15.101 -9.665 594 1HE LYS 72 2HE LYS 72 5.338 -13.990 -7.613 595 2HE LYS 72 1HE LYS 72 6.096 -15.570 -7.808 596 1HZ LYS 72 3HZ LYS 72 5.584 -13.628 -9.996 597 2HZ LYS 72 2HZ LYS 72 7.090 -13.906 -9.259 598 3HZ LYS 72 1HZ LYS 72 6.343 -15.135 -10.162 599 H SER 73 H SER 73 2.836 -18.161 -4.921 600 HA SER 73 HA SER 73 4.273 -20.397 -6.191 601 1HB SER 73 2HB SER 73 5.384 -19.340 -4.331 602 2HB SER 73 1HB SER 73 3.955 -19.500 -3.314 603 HG SER 73 HG SER 73 5.944 -21.231 -3.686 604 H GLY 74 H GLY 74 1.915 -20.217 -3.498 605 1HA GLY 74 2HA GLY 74 -0.113 -21.487 -3.325 606 2HA GLY 74 1HA GLY 74 0.420 -22.480 -4.683 607 H SER 75 H SER 75 1.730 -21.658 -1.454 608 HA SER 75 HA SER 75 1.618 -24.437 -0.580 609 1HB SER 75 2HB SER 75 4.043 -24.763 -0.383 610 2HB SER 75 1HB SER 75 3.604 -24.487 -2.066 611 HG SER 75 HG SER 75 5.259 -23.083 -0.504 612 H MET 76 H MET 76 3.279 -21.314 -0.065 613 HA MET 76 HA MET 76 2.882 -21.671 2.870 614 1HB MET 76 2HB MET 76 4.857 -20.207 1.181 615 2HB MET 76 1HB MET 76 4.428 -19.480 2.729 616 1HG MET 76 2HG MET 76 4.809 -22.247 3.237 617 2HG MET 76 1HG MET 76 6.144 -21.752 2.200 618 1HE MET 76 1HE MET 76 7.905 -21.906 3.248 619 2HE MET 76 3HE MET 76 8.552 -20.932 4.576 620 3HE MET 76 2HE MET 76 7.653 -22.410 4.917 621 H LEU 77 H LEU 77 0.535 -21.134 2.413 622 HA LEU 77 HA LEU 77 -0.094 -18.396 1.610 623 1HB LEU 77 2HB LEU 77 -1.522 -20.828 1.870 624 2HB LEU 77 1HB LEU 77 -2.252 -19.722 3.030 625 HG LEU 77 HG LEU 77 -1.860 -18.156 0.730 626 1HD1 LEU 77 2HD1 LEU 77 -2.753 -20.963 0.046 627 2HD1 LEU 77 1HD1 LEU 77 -3.157 -19.572 -0.961 628 3HD1 LEU 77 3HD1 LEU 77 -1.469 -20.019 -0.709 629 1HD2 LEU 77 1HD2 LEU 77 -3.794 -18.262 2.396 630 2HD2 LEU 77 3HD2 LEU 77 -4.250 -18.021 0.709 631 3HD2 LEU 77 2HD2 LEU 77 -4.413 -19.614 1.448 632 H SER 78 H SER 78 -1.657 -17.171 3.233 633 HA SER 78 HA SER 78 -1.825 -15.981 5.245 634 1HB SER 78 2HB SER 78 -1.798 -18.690 5.932 635 2HB SER 78 1HB SER 78 -0.595 -17.969 6.997 636 HG SER 78 HG SER 78 -2.291 -17.373 8.092 637 H ASN 79 H ASN 79 0.712 -15.999 3.629 638 HA ASN 79 HA ASN 79 2.365 -14.608 5.617 639 1HB ASN 79 2HB ASN 79 2.960 -17.331 4.744 640 2HB ASN 79 1HB ASN 79 4.274 -16.225 4.349 641 1HD2 ASN 79 2HD2 ASN 79 4.389 -17.531 7.979 642 2HD2 ASN 79 1HD2 ASN 79 3.999 -18.361 6.551 643 H ASN 80 H ASN 80 3.930 -13.234 4.609 644 HA ASN 80 HA ASN 80 3.933 -13.147 1.639 645 1HB ASN 80 2HB ASN 80 3.627 -10.624 1.782 646 2HB ASN 80 1HB ASN 80 2.188 -11.573 2.151 647 1HD2 ASN 80 2HD2 ASN 80 3.996 -9.410 5.122 648 2HD2 ASN 80 1HD2 ASN 80 4.788 -9.637 3.638 649 H ASP 81 H ASP 81 5.721 -11.733 0.825 650 HA ASP 81 HA ASP 81 7.897 -11.441 2.858 651 1HB ASP 81 2HB ASP 81 8.062 -12.499 0.027 652 2HB ASP 81 1HB ASP 81 9.479 -12.030 0.968 653 H SER 82 H SER 82 7.705 -10.603 -0.614 654 HA SER 82 HA SER 82 7.728 -7.724 0.097 655 1HB SER 82 2HB SER 82 10.102 -8.382 0.029 656 2HB SER 82 1HB SER 82 9.877 -9.041 -1.589 657 HG SER 82 HG SER 82 10.297 -7.086 -2.222 658 H ARG 83 H ARG 83 5.846 -9.573 -1.319 659 HA ARG 83 HA ARG 83 5.774 -8.088 -3.916 660 1HB ARG 83 2HB ARG 83 6.230 -10.761 -3.790 661 2HB ARG 83 1HB ARG 83 4.465 -10.754 -3.818 662 1HG ARG 83 2HG ARG 83 4.550 -9.254 -5.821 663 2HG ARG 83 1HG ARG 83 6.305 -9.423 -5.828 664 1HD ARG 83 2HD ARG 83 5.637 -12.028 -5.748 665 2HD ARG 83 1HD ARG 83 4.209 -11.402 -6.572 666 HE ARG 83 HE ARG 83 6.775 -11.727 -7.779 667 1HH1 ARG 83 2HH1 ARG 83 7.451 -9.255 -8.392 668 2HH1 ARG 83 1HH1 ARG 83 6.310 -8.601 -9.517 669 1HH2 ARG 83 1HH2 ARG 83 3.880 -10.980 -8.840 670 2HH2 ARG 83 2HH2 ARG 83 4.288 -9.578 -9.771 671 H TRP 84 H TRP 84 3.909 -6.966 -4.222 672 HA TRP 84 HA TRP 84 1.529 -7.740 -2.584 673 1HB TRP 84 2HB TRP 84 2.585 -4.962 -3.169 674 2HB TRP 84 1HB TRP 84 1.013 -5.286 -2.442 675 HD1 TRP 84 HD1 TRP 84 4.667 -6.385 -1.780 676 HE1 TRP 84 HE1 TRP 84 5.058 -6.352 0.765 677 HE3 TRP 84 HE3 TRP 84 0.029 -4.951 -0.197 678 HZ2 TRP 84 HZ2 TRP 84 3.593 -5.797 3.164 679 HZ3 TRP 84 HZ3 TRP 84 -0.447 -4.678 2.220 680 HH2 TRP 84 HH2 TRP 84 1.328 -5.100 3.901 681 H GLU 85 H GLU 85 -0.488 -7.453 -3.587 682 HA GLU 85 HA GLU 85 -0.442 -6.635 -6.464 683 1HB GLU 85 2HB GLU 85 -1.961 -8.955 -5.225 684 2HB GLU 85 1HB GLU 85 -2.134 -8.412 -6.892 685 1HG GLU 85 2HG GLU 85 -0.458 -9.843 -7.400 686 2HG GLU 85 1HG GLU 85 0.622 -8.708 -6.594 687 H PHE 86 H PHE 86 -2.436 -5.590 -7.162 688 HA PHE 86 HA PHE 86 -4.411 -5.017 -5.014 689 1HB PHE 86 2HB PHE 86 -2.951 -2.897 -6.613 690 2HB PHE 86 1HB PHE 86 -4.317 -2.589 -5.541 691 HD1 PHE 86 HD2 PHE 86 -0.802 -3.764 -5.684 692 HD2 PHE 86 HD1 PHE 86 -4.058 -2.561 -3.153 693 HE1 PHE 86 HE2 PHE 86 0.742 -3.663 -3.747 694 HE2 PHE 86 HE1 PHE 86 -2.512 -2.459 -1.216 695 HZ PHE 86 HZ PHE 86 -0.113 -3.009 -1.513 696 H GLU 87 H GLU 87 -6.472 -4.794 -5.761 697 HA GLU 87 HA GLU 87 -6.928 -4.371 -8.664 698 1HB GLU 87 2HB GLU 87 -7.336 -6.882 -7.224 699 2HB GLU 87 1HB GLU 87 -8.835 -6.301 -7.948 700 1HG GLU 87 2HG GLU 87 -7.669 -6.046 -10.122 701 2HG GLU 87 1HG GLU 87 -6.196 -6.690 -9.393 702 H ASN 88 H ASN 88 -9.408 -4.080 -9.010 703 HA ASN 88 HA ASN 88 -10.480 -2.538 -6.683 704 1HB ASN 88 2HB ASN 88 -11.741 -1.223 -8.425 705 2HB ASN 88 1HB ASN 88 -9.989 -1.048 -8.523 706 1HD2 ASN 88 2HD2 ASN 88 -9.915 -2.182 -11.843 707 2HD2 ASN 88 1HD2 ASN 88 -9.198 -1.258 -10.613 708 H GLU 89 H GLU 89 -11.070 -5.141 -6.499 709 HA GLU 89 HA GLU 89 -12.864 -6.631 -6.299 710 1HB GLU 89 2HB GLU 89 -13.941 -4.213 -5.788 711 2HB GLU 89 1HB GLU 89 -14.846 -4.619 -7.246 712 1HG GLU 89 2HG GLU 89 -15.321 -6.880 -6.153 713 2HG GLU 89 1HG GLU 89 -14.703 -6.176 -4.658 714 H ARG 90 H ARG 90 -12.859 -8.164 -7.847 715 HA ARG 90 HA ARG 90 -12.793 -7.764 -10.647 716 1HB ARG 90 2HB ARG 90 -13.926 -10.135 -9.128 717 2HB ARG 90 1HB ARG 90 -13.443 -10.138 -10.824 718 1HG ARG 90 2HG ARG 90 -11.208 -10.178 -10.331 719 2HG ARG 90 1HG ARG 90 -11.404 -9.164 -8.899 720 1HD ARG 90 2HD ARG 90 -12.483 -11.138 -7.753 721 2HD ARG 90 1HD ARG 90 -12.025 -12.120 -9.146 722 HE ARG 90 HE ARG 90 -9.658 -11.669 -8.572 723 1HH1 ARG 90 1HH2 ARG 90 -11.234 -9.519 -6.637 724 2HH1 ARG 90 2HH2 ARG 90 -10.538 -10.040 -5.140 725 1HH2 ARG 90 2HH1 ARG 90 -9.106 -12.892 -6.490 726 2HH2 ARG 90 1HH1 ARG 90 -9.334 -11.949 -5.056 727 H HIS 91 H HIS 91 -15.633 -8.820 -8.718 728 HA HIS 91 HA HIS 91 -17.435 -8.200 -10.945 729 1HB HIS 91 2HB HIS 91 -17.547 -9.792 -8.583 730 2HB HIS 91 1HB HIS 91 -18.833 -8.595 -8.446 731 HD1 HIS 91 HD1 HIS 91 -19.269 -11.698 -9.046 732 HD2 HIS 91 HD2 HIS 91 -19.329 -8.642 -11.879 733 HE1 HIS 91 HE1 HIS 91 -20.608 -12.570 -11.012 734 H ALA 92 HN ALA 92 -18.974 -6.497 -10.962 735 HA ALA 92 HA ALA 92 -18.190 -4.157 -9.327 736 1HB ALA 92 1HB ALA 92 -19.630 -4.600 -11.888 737 2HB ALA 92 3HB ALA 92 -20.175 -3.228 -10.922 738 3HB ALA 92 2HB ALA 92 -18.493 -3.329 -11.442 No H/Q in entry = 738 Start of MODEL 11 Raw file had 756 H/Q atoms Start of MODEL 11 1 1H ALA 1 3H ALA 1 -9.467 11.905 -9.663 2 2H ALA 1 2H ALA 1 -9.772 10.640 -8.571 3 3H ALA 1 1H ALA 1 -9.174 10.300 -10.124 4 HA ALA 1 HA ALA 1 -11.197 11.015 -11.147 5 1HB ALA 1 2HB ALA 1 -11.264 9.005 -8.940 6 2HB ALA 1 1HB ALA 1 -12.799 9.457 -9.676 7 3HB ALA 1 3HB ALA 1 -11.511 8.776 -10.670 8 H ARG 2 H ARG 2 -11.377 11.310 -7.595 9 HA ARG 2 HA ARG 2 -12.965 13.759 -7.921 10 1HB ARG 2 2HB ARG 2 -14.155 11.753 -6.034 11 2HB ARG 2 1HB ARG 2 -14.913 13.114 -6.838 12 1HG ARG 2 2HG ARG 2 -14.866 11.945 -8.975 13 2HG ARG 2 1HG ARG 2 -13.976 10.604 -8.257 14 1HD ARG 2 2HD ARG 2 -15.941 9.644 -7.730 15 2HD ARG 2 1HD ARG 2 -16.272 10.986 -6.636 16 HE ARG 2 HE ARG 2 -17.402 12.122 -8.548 17 1HH1 ARG 2 1HH2 ARG 2 -16.856 11.080 -11.014 18 2HH1 ARG 2 2HH2 ARG 2 -17.929 9.743 -11.262 19 1HH2 ARG 2 1HH1 ARG 2 -18.979 8.792 -9.497 20 2HH2 ARG 2 2HH1 ARG 2 -18.708 9.402 -7.899 21 HA PRO 3 HA PRO 3 -11.587 13.673 -3.510 22 1HB PRO 3 2HB PRO 3 -10.306 11.550 -2.350 23 2HB PRO 3 1HB PRO 3 -12.062 11.780 -2.309 24 1HG PRO 3 2HG PRO 3 -10.467 9.847 -3.880 25 2HG PRO 3 1HG PRO 3 -12.165 9.763 -3.390 26 1HD PRO 3 2HD PRO 3 -11.165 10.470 -5.950 27 2HD PRO 3 1HD PRO 3 -12.842 10.574 -5.403 28 H ALA 4 H ALA 4 -9.533 14.231 -2.489 29 HA ALA 4 HA ALA 4 -7.477 14.871 -4.341 30 1HB ALA 4 2HB ALA 4 -7.757 14.950 -1.365 31 2HB ALA 4 1HB ALA 4 -6.151 15.160 -2.060 32 3HB ALA 4 3HB ALA 4 -7.453 16.266 -2.498 33 H PHE 5 H PHE 5 -7.864 12.053 -2.220 34 HA PHE 5 HA PHE 5 -5.135 11.167 -2.456 35 1HB PHE 5 2HB PHE 5 -6.784 10.323 -0.730 36 2HB PHE 5 1HB PHE 5 -7.525 9.364 -2.018 37 HD1 PHE 5 HD2 PHE 5 -4.285 10.018 -0.278 38 HD2 PHE 5 HD1 PHE 5 -6.555 7.325 -2.738 39 HE1 PHE 5 HE2 PHE 5 -2.503 8.308 -0.051 40 HE2 PHE 5 HE1 PHE 5 -4.771 5.618 -2.515 41 HZ PHE 5 HZ PHE 5 -2.744 6.108 -1.171 42 H VAL 6 H VAL 6 -8.088 10.290 -4.290 43 HA VAL 6 HA VAL 6 -6.774 8.409 -6.005 44 HB VAL 6 HB VAL 6 -9.203 10.130 -6.606 45 1HG1 VAL 6 2HG1 VAL 6 -8.049 7.635 -7.881 46 2HG1 VAL 6 1HG1 VAL 6 -9.722 8.131 -8.116 47 3HG1 VAL 6 3HG1 VAL 6 -8.410 9.176 -8.658 48 1HG2 VAL 6 1HG2 VAL 6 -9.001 8.403 -4.545 49 2HG2 VAL 6 3HG2 VAL 6 -10.490 8.601 -5.467 50 3HG2 VAL 6 2HG2 VAL 6 -9.402 7.261 -5.828 51 H ASN 7 H ASN 7 -6.959 11.918 -6.033 52 HA ASN 7 HA ASN 7 -6.075 12.254 -8.767 53 1HB ASN 7 2HB ASN 7 -6.138 14.050 -6.345 54 2HB ASN 7 1HB ASN 7 -5.363 14.574 -7.841 55 1HD2 ASN 7 2HD2 ASN 7 -8.434 14.849 -9.653 56 2HD2 ASN 7 1HD2 ASN 7 -6.756 14.658 -9.818 57 H LYS 8 H LYS 8 -4.378 12.186 -5.632 58 HA LYS 8 HA LYS 8 -1.750 12.638 -6.739 59 1HB LYS 8 2HB LYS 8 -2.470 11.195 -4.169 60 2HB LYS 8 1HB LYS 8 -0.921 11.940 -4.558 61 1HG LYS 8 2HG LYS 8 -1.712 14.085 -4.240 62 2HG LYS 8 1HG LYS 8 -3.362 13.661 -4.695 63 1HD LYS 8 2HD LYS 8 -3.788 12.628 -2.583 64 2HD LYS 8 1HD LYS 8 -2.077 12.634 -2.154 65 1HE LYS 8 2HE LYS 8 -3.181 15.301 -2.787 66 2HE LYS 8 1HE LYS 8 -3.873 14.545 -1.353 67 1HZ LYS 8 2HZ LYS 8 -1.571 14.114 -0.595 68 2HZ LYS 8 1HZ LYS 8 -1.000 15.032 -1.905 69 3HZ LYS 8 3HZ LYS 8 -1.949 15.767 -0.707 70 H LEU 9 H LEU 9 -3.791 9.839 -6.395 71 HA LEU 9 HA LEU 9 -1.675 7.874 -6.758 72 1HB LEU 9 2HB LEU 9 -3.878 7.488 -5.557 73 2HB LEU 9 1HB LEU 9 -4.661 7.523 -7.135 74 HG LEU 9 HG LEU 9 -3.083 5.690 -7.857 75 1HD1 LEU 9 3HD1 LEU 9 -1.788 6.327 -5.459 76 2HD1 LEU 9 2HD1 LEU 9 -2.565 4.780 -5.131 77 3HD1 LEU 9 1HD1 LEU 9 -1.451 4.936 -6.488 78 1HD2 LEU 9 3HD2 LEU 9 -5.431 5.574 -6.207 79 2HD2 LEU 9 2HD2 LEU 9 -4.884 4.410 -7.413 80 3HD2 LEU 9 1HD2 LEU 9 -4.362 4.252 -5.737 81 H TRP 10 H TRP 10 -3.887 9.672 -8.820 82 HA TRP 10 HA TRP 10 -3.610 8.042 -11.170 83 1HB TRP 10 2HB TRP 10 -4.632 10.747 -10.504 84 2HB TRP 10 1HB TRP 10 -4.139 10.500 -12.176 85 HD1 TRP 10 HD1 TRP 10 -6.705 10.673 -12.877 86 HE1 TRP 10 HE1 TRP 10 -8.587 8.915 -12.880 87 HE3 TRP 10 HE3 TRP 10 -4.676 7.186 -9.733 88 HZ2 TRP 10 HZ2 TRP 10 -9.159 6.376 -11.708 89 HZ3 TRP 10 HZ3 TRP 10 -5.914 5.117 -9.195 90 HH2 TRP 10 HH2 TRP 10 -8.152 4.704 -10.177 91 H SER 11 H SER 11 -1.377 10.135 -9.603 92 HA SER 11 HA SER 11 0.162 10.466 -12.139 93 1HB SER 11 2HB SER 11 -0.469 12.489 -10.660 94 2HB SER 11 1HB SER 11 0.745 11.879 -9.538 95 HG SER 11 HG SER 11 2.237 11.949 -11.300 96 H MET 12 H MET 12 0.626 9.659 -8.678 97 HA MET 12 HA MET 12 3.345 8.863 -8.926 98 1HB MET 12 2HB MET 12 3.022 7.698 -6.792 99 2HB MET 12 1HB MET 12 2.276 9.291 -6.755 100 1HG MET 12 2HG MET 12 0.447 8.174 -5.985 101 2HG MET 12 1HG MET 12 0.196 7.772 -7.681 102 1HE MET 12 1HE MET 12 2.330 7.183 -4.844 103 2HE MET 12 3HE MET 12 1.826 5.618 -4.191 104 3HE MET 12 2HE MET 12 3.185 5.715 -5.308 105 H VAL 13 H VAL 13 0.352 7.034 -9.516 106 HA VAL 13 HA VAL 13 1.678 4.472 -9.705 107 HB VAL 13 HB VAL 13 -0.936 5.324 -10.986 108 1HG1 VAL 13 3HG1 VAL 13 0.202 3.172 -11.767 109 2HG1 VAL 13 2HG1 VAL 13 -0.007 2.573 -10.121 110 3HG1 VAL 13 1HG1 VAL 13 -1.419 2.974 -11.100 111 1HG2 VAL 13 2HG2 VAL 13 -0.746 5.652 -8.474 112 2HG2 VAL 13 1HG2 VAL 13 -1.999 4.520 -8.984 113 3HG2 VAL 13 3HG2 VAL 13 -0.473 3.915 -8.346 114 H ASN 14 H ASN 14 1.040 7.086 -12.005 115 HA ASN 14 HA ASN 14 1.627 5.710 -14.426 116 1HB ASN 14 2HB ASN 14 1.104 8.346 -13.724 117 2HB ASN 14 1HB ASN 14 2.772 8.417 -14.291 118 1HD2 ASN 14 2HD2 ASN 14 -0.131 7.189 -16.946 119 2HD2 ASN 14 1HD2 ASN 14 -0.366 6.920 -15.287 120 H ASP 15 H ASP 15 3.674 6.962 -11.879 121 HA ASP 15 HA ASP 15 5.934 6.673 -11.416 122 1HB ASP 15 2HB ASP 15 5.530 4.311 -13.268 123 2HB ASP 15 1HB ASP 15 6.895 4.532 -12.176 124 H LYS 16 H LYS 16 5.451 8.569 -13.477 125 HA LYS 16 HA LYS 16 7.110 8.109 -15.793 126 1HB LYS 16 2HB LYS 16 5.378 9.998 -15.426 127 2HB LYS 16 1HB LYS 16 6.647 10.819 -14.517 128 1HG LYS 16 2HG LYS 16 7.996 11.104 -16.395 129 2HG LYS 16 1HG LYS 16 7.258 9.752 -17.255 130 1HD LYS 16 2HD LYS 16 5.289 11.000 -17.743 131 2HD LYS 16 1HD LYS 16 5.711 12.261 -16.581 132 1HE LYS 16 2HE LYS 16 6.202 13.084 -18.811 133 2HE LYS 16 1HE LYS 16 7.729 12.785 -17.981 134 1HZ LYS 16 2HZ LYS 16 6.491 10.678 -19.628 135 2HZ LYS 16 1HZ LYS 16 7.413 11.903 -20.359 136 3HZ LYS 16 3HZ LYS 16 8.124 10.885 -19.204 137 H SER 17 H SER 17 7.706 9.196 -12.511 138 HA SER 17 HA SER 17 10.621 9.456 -13.113 139 1HB SER 17 2HB SER 17 9.638 11.449 -12.065 140 2HB SER 17 1HB SER 17 8.979 10.462 -10.763 141 HG SER 17 HG SER 17 10.944 11.416 -10.147 142 H ASN 18 H ASN 18 8.188 7.747 -11.244 143 HA ASN 18 HA ASN 18 10.274 6.184 -9.801 144 1HB ASN 18 2HB ASN 18 7.288 5.822 -9.507 145 2HB ASN 18 1HB ASN 18 8.557 5.445 -8.345 146 1HD2 ASN 18 2HD2 ASN 18 6.750 8.939 -7.970 147 2HD2 ASN 18 1HD2 ASN 18 6.094 7.557 -8.704 148 H GLU 19 H GLU 19 9.711 5.948 -12.745 149 HA GLU 19 HA GLU 19 8.166 3.656 -13.372 150 1HB GLU 19 2HB GLU 19 9.054 5.225 -15.061 151 2HB GLU 19 1HB GLU 19 10.684 4.648 -14.742 152 1HG GLU 19 2HG GLU 19 9.001 2.372 -15.248 153 2HG GLU 19 1HG GLU 19 8.744 3.552 -16.531 154 H LYS 20 H LYS 20 11.213 3.848 -11.726 155 HA LYS 20 HA LYS 20 11.835 1.008 -12.302 156 1HB LYS 20 2HB LYS 20 13.489 3.118 -12.053 157 2HB LYS 20 1HB LYS 20 13.466 2.581 -10.373 158 1HG LYS 20 2HG LYS 20 15.177 1.251 -11.176 159 2HG LYS 20 1HG LYS 20 13.804 0.194 -11.502 160 1HD LYS 20 2HD LYS 20 14.348 2.151 -13.644 161 2HD LYS 20 1HD LYS 20 15.646 0.988 -13.386 162 1HE LYS 20 2HE LYS 20 13.004 -0.274 -13.337 163 2HE LYS 20 1HE LYS 20 13.338 0.535 -14.867 164 1HZ LYS 20 2HZ LYS 20 15.551 -0.626 -14.806 165 2HZ LYS 20 1HZ LYS 20 14.934 -1.573 -13.538 166 3HZ LYS 20 3HZ LYS 20 14.202 -1.625 -15.067 167 H PHE 21 H PHE 21 9.464 1.769 -10.662 168 HA PHE 21 HA PHE 21 10.106 0.052 -8.350 169 1HB PHE 21 2HB PHE 21 9.133 2.909 -8.109 170 2HB PHE 21 1HB PHE 21 8.920 1.729 -6.813 171 HD1 PHE 21 HD1 PHE 21 11.112 0.323 -6.239 172 HD2 PHE 21 HD2 PHE 21 11.080 4.186 -8.116 173 HE1 PHE 21 HE1 PHE 21 13.458 0.691 -5.523 174 HE2 PHE 21 HE2 PHE 21 13.424 4.555 -7.396 175 HZ PHE 21 HZ PHE 21 14.612 2.807 -6.100 176 H ILE 22 H ILE 22 7.169 1.683 -7.754 177 HA ILE 22 HA ILE 22 5.602 -0.633 -8.350 178 HB ILE 22 HB ILE 22 4.932 1.068 -6.670 179 1HG1 ILE 22 2HG1 ILE 22 2.902 0.920 -8.916 180 2HG1 ILE 22 1HG1 ILE 22 3.245 -0.423 -7.825 181 1HG2 ILE 22 1HG2 ILE 22 4.504 2.805 -9.116 182 2HG2 ILE 22 3HG2 ILE 22 3.917 3.201 -7.502 183 3HG2 ILE 22 2HG2 ILE 22 5.651 3.096 -7.809 184 1HD1 ILE 22 2HD1 ILE 22 2.695 2.193 -6.531 185 2HD1 ILE 22 1HD1 ILE 22 1.325 1.423 -7.333 186 3HD1 ILE 22 3HD1 ILE 22 2.191 0.572 -6.054 187 H HIS 23 H HIS 23 3.777 -0.660 -9.976 188 HA HIS 23 HA HIS 23 3.742 1.128 -12.217 189 1HB HIS 23 2HB HIS 23 5.934 -0.568 -12.281 190 2HB HIS 23 1HB HIS 23 4.757 -1.423 -13.277 191 HD1 HIS 23 HD1 HIS 23 4.758 -0.713 -15.665 192 HD2 HIS 23 HD2 HIS 23 6.054 2.361 -13.161 193 HE1 HIS 23 HE1 HIS 23 5.377 1.228 -17.172 194 H TRP 24 H TRP 24 2.227 0.374 -13.888 195 HA TRP 24 HA TRP 24 0.000 -1.052 -12.781 196 1HB TRP 24 2HB TRP 24 0.693 -0.183 -15.593 197 2HB TRP 24 1HB TRP 24 -0.810 -1.024 -15.209 198 HD1 TRP 24 HD1 TRP 24 0.970 2.295 -14.771 199 HE1 TRP 24 HE1 TRP 24 -0.675 4.013 -13.775 200 HE3 TRP 24 HE3 TRP 24 -2.958 -0.777 -13.673 201 HZ2 TRP 24 HZ2 TRP 24 -3.309 4.079 -12.670 202 HZ3 TRP 24 HZ3 TRP 24 -5.022 0.140 -12.652 203 HH2 TRP 24 HH2 TRP 24 -5.203 2.561 -12.149 204 H SER 25 H SER 25 -0.933 -3.058 -13.762 205 HA SER 25 HA SER 25 1.115 -5.139 -13.888 206 1HB SER 25 2HB SER 25 -0.920 -6.641 -14.147 207 2HB SER 25 1HB SER 25 -0.876 -5.676 -12.675 208 HG SER 25 HG SER 25 -2.891 -5.704 -14.019 209 H THR 26 H THR 26 -0.608 -3.247 -16.203 210 HA THR 26 HA THR 26 -0.438 -3.177 -18.524 211 HB THR 26 HB THR 26 1.279 -5.664 -18.412 212 HG1 THR 26 HG1 THR 26 2.937 -4.441 -17.897 213 1HG2 THR 26 3HG2 THR 26 0.863 -3.416 -20.379 214 2HG2 THR 26 2HG2 THR 26 2.253 -4.496 -20.458 215 3HG2 THR 26 1HG2 THR 26 0.623 -5.144 -20.643 216 H SER 27 H SER 27 -0.281 -6.747 -18.125 217 HA SER 27 HA SER 27 -2.699 -6.983 -19.771 218 1HB SER 27 2HB SER 27 -2.293 -9.478 -19.313 219 2HB SER 27 1HB SER 27 -1.047 -8.632 -20.224 220 HG SER 27 HG SER 27 -0.594 -10.014 -18.164 221 H GLY 28 H GLY 28 -4.507 -6.370 -18.609 222 1HA GLY 28 2HA GLY 28 -6.235 -7.543 -17.172 223 2HA GLY 28 1HA GLY 28 -4.949 -7.735 -15.980 224 H GLU 29 H GLU 29 -6.174 -6.519 -14.420 225 HA GLU 29 HA GLU 29 -5.894 -3.587 -14.785 226 1HB GLU 29 2HB GLU 29 -8.465 -5.074 -14.324 227 2HB GLU 29 1HB GLU 29 -8.258 -3.460 -13.641 228 1HG GLU 29 2HG GLU 29 -7.959 -2.472 -15.777 229 2HG GLU 29 1HG GLU 29 -7.669 -4.029 -16.547 230 H SER 30 H SER 30 -4.193 -3.825 -13.203 231 HA SER 30 HA SER 30 -5.031 -3.465 -10.489 232 1HB SER 30 2HB SER 30 -3.628 -5.677 -9.827 233 2HB SER 30 1HB SER 30 -5.377 -5.683 -10.028 234 HG SER 30 HG SER 30 -3.922 -7.260 -11.250 235 H ILE 31 H ILE 31 -3.014 -3.529 -8.992 236 HA ILE 31 HA ILE 31 -0.719 -2.437 -10.552 237 HB ILE 31 HB ILE 31 -1.378 -2.115 -7.603 238 1HG1 ILE 31 2HG1 ILE 31 -1.587 -0.007 -9.759 239 2HG1 ILE 31 1HG1 ILE 31 -2.946 -1.069 -9.390 240 1HG2 ILE 31 1HG2 ILE 31 0.711 -0.881 -9.423 241 2HG2 ILE 31 3HG2 ILE 31 0.296 -0.219 -7.842 242 3HG2 ILE 31 2HG2 ILE 31 0.990 -1.835 -7.967 243 1HD1 ILE 31 1HD1 ILE 31 -2.586 -0.363 -6.931 244 2HD1 ILE 31 3HD1 ILE 31 -1.596 0.941 -7.586 245 3HD1 ILE 31 2HD1 ILE 31 -3.303 0.827 -8.016 246 H VAL 32 H VAL 32 1.427 -3.119 -10.015 247 HA VAL 32 HA VAL 32 1.578 -5.657 -8.435 248 HB VAL 32 HB VAL 32 3.116 -5.014 -10.974 249 1HG1 VAL 32 1HG1 VAL 32 4.225 -6.510 -9.266 250 2HG1 VAL 32 3HG1 VAL 32 2.868 -7.623 -9.452 251 3HG1 VAL 32 2HG1 VAL 32 3.926 -7.284 -10.823 252 1HG2 VAL 32 3HG2 VAL 32 0.489 -5.625 -10.925 253 2HG2 VAL 32 2HG2 VAL 32 1.573 -6.211 -12.187 254 3HG2 VAL 32 1HG2 VAL 32 1.158 -7.254 -10.826 255 H VAL 33 H VAL 33 3.076 -5.556 -6.829 256 HA VAL 33 HA VAL 33 5.116 -3.370 -6.966 257 HB VAL 33 HB VAL 33 3.936 -4.696 -4.507 258 1HG1 VAL 33 3HG1 VAL 33 5.782 -2.311 -4.854 259 2HG1 VAL 33 2HG1 VAL 33 5.056 -2.808 -3.324 260 3HG1 VAL 33 1HG1 VAL 33 6.211 -3.865 -4.138 261 1HG2 VAL 33 1HG2 VAL 33 3.346 -2.081 -5.909 262 2HG2 VAL 33 3HG2 VAL 33 2.211 -3.366 -5.493 263 3HG2 VAL 33 2HG2 VAL 33 2.917 -2.366 -4.223 264 HA PRO 34 HA PRO 34 7.604 -7.131 -6.890 265 1HB PRO 34 2HB PRO 34 9.768 -6.129 -8.249 266 2HB PRO 34 1HB PRO 34 8.349 -6.821 -9.055 267 1HG PRO 34 2HG PRO 34 9.153 -3.968 -8.792 268 2HG PRO 34 1HG PRO 34 8.164 -4.747 -10.038 269 1HD PRO 34 2HD PRO 34 7.197 -3.198 -7.880 270 2HD PRO 34 1HD PRO 34 6.226 -4.237 -8.941 271 H ASN 35 H ASN 35 8.882 -3.824 -6.496 272 HA ASN 35 HA ASN 35 10.491 -4.795 -4.167 273 1HB ASN 35 2HB ASN 35 10.962 -2.305 -5.840 274 2HB ASN 35 1HB ASN 35 12.023 -2.954 -4.589 275 1HD2 ASN 35 2HD2 ASN 35 13.240 -5.627 -6.665 276 2HD2 ASN 35 1HD2 ASN 35 12.951 -5.195 -5.050 277 H ARG 36 H ARG 36 8.506 -4.536 -2.871 278 HA ARG 36 HA ARG 36 7.257 -1.924 -2.602 279 1HB ARG 36 2HB ARG 36 6.117 -4.117 -2.102 280 2HB ARG 36 1HB ARG 36 7.151 -4.268 -0.682 281 1HG ARG 36 2HG ARG 36 6.144 -1.698 -0.427 282 2HG ARG 36 1HG ARG 36 4.775 -2.586 -1.093 283 1HD ARG 36 2HD ARG 36 4.646 -2.755 1.312 284 2HD ARG 36 1HD ARG 36 5.145 -4.331 0.696 285 HE ARG 36 HE ARG 36 7.537 -3.501 1.263 286 1HH1 ARG 36 2HH1 ARG 36 6.723 -0.868 2.378 287 2HH1 ARG 36 1HH1 ARG 36 6.601 -1.198 4.073 288 1HH2 ARG 36 1HH2 ARG 36 6.498 -4.639 3.666 289 2HH2 ARG 36 2HH2 ARG 36 6.473 -3.333 4.803 290 H GLU 37 H GLU 37 9.568 -3.805 -0.659 291 HA GLU 37 HA GLU 37 9.791 -2.018 1.530 292 1HB GLU 37 2HB GLU 37 12.023 -3.071 1.897 293 2HB GLU 37 1HB GLU 37 10.752 -4.257 1.606 294 1HG GLU 37 2HG GLU 37 11.621 -3.738 -0.953 295 2HG GLU 37 1HG GLU 37 13.117 -3.598 -0.030 296 H ARG 38 H ARG 38 11.115 -1.780 -1.699 297 HA ARG 38 HA ARG 38 12.925 0.420 -0.874 298 1HB ARG 38 2HB ARG 38 12.784 -1.455 -3.106 299 2HB ARG 38 1HB ARG 38 12.998 0.201 -3.668 300 1HG ARG 38 2HG ARG 38 15.208 -0.536 -3.315 301 2HG ARG 38 1HG ARG 38 14.839 0.353 -1.837 302 1HD ARG 38 2HD ARG 38 14.154 -1.829 -0.782 303 2HD ARG 38 1HD ARG 38 14.748 -2.652 -2.224 304 HE ARG 38 HE ARG 38 16.649 -0.873 -0.808 305 1HH1 ARG 38 2HH1 ARG 38 16.692 -3.427 -2.797 306 2HH1 ARG 38 1HH1 ARG 38 17.608 -4.497 -1.789 307 1HH2 ARG 38 1HH2 ARG 38 17.324 -2.510 1.037 308 2HH2 ARG 38 2HH2 ARG 38 17.965 -3.978 0.380 309 H PHE 39 H PHE 39 9.900 -0.137 -2.565 310 HA PHE 39 HA PHE 39 9.586 2.367 -3.864 311 1HB PHE 39 2HB PHE 39 8.017 0.656 -4.391 312 2HB PHE 39 1HB PHE 39 7.625 0.376 -2.699 313 HD1 PHE 39 HD1 PHE 39 7.166 2.700 -5.565 314 HD2 PHE 39 HD2 PHE 39 6.018 1.732 -1.538 315 HE1 PHE 39 HE1 PHE 39 5.277 4.303 -5.714 316 HE2 PHE 39 HE2 PHE 39 4.129 3.330 -1.690 317 HZ PHE 39 HZ PHE 39 3.760 4.615 -3.774 318 H VAL 40 H VAL 40 8.118 1.434 -0.723 319 HA VAL 40 HA VAL 40 7.301 4.004 0.080 320 HB VAL 40 HB VAL 40 8.359 1.829 1.909 321 1HG1 VAL 40 1HG1 VAL 40 7.873 4.145 2.852 322 2HG1 VAL 40 3HG1 VAL 40 6.187 3.877 2.406 323 3HG1 VAL 40 2HG1 VAL 40 6.965 2.822 3.585 324 1HG2 VAL 40 3HG2 VAL 40 5.726 2.179 0.476 325 2HG2 VAL 40 2HG2 VAL 40 6.746 0.742 0.564 326 3HG2 VAL 40 1HG2 VAL 40 5.833 1.265 1.980 327 H GLN 41 H GLN 41 10.344 2.349 0.944 328 HA GLN 41 HA GLN 41 11.561 4.301 2.495 329 1HB GLN 41 2HB GLN 41 12.560 2.170 0.687 330 2HB GLN 41 1HB GLN 41 13.727 3.403 1.166 331 1HG GLN 41 2HG GLN 41 11.969 2.183 3.267 332 2HG GLN 41 1HG GLN 41 13.359 1.270 2.679 333 1HE2 GLN 41 2HE2 GLN 41 14.290 3.628 5.547 334 2HE2 GLN 41 1HE2 GLN 41 12.982 2.559 5.374 335 H GLU 42 H GLU 42 11.203 4.390 -1.041 336 HA GLU 42 HA GLU 42 12.405 7.124 -0.925 337 1HB GLU 42 2HB GLU 42 13.023 4.963 -2.949 338 2HB GLU 42 1HB GLU 42 13.503 6.652 -3.130 339 1HG GLU 42 2HG GLU 42 14.475 6.299 -0.691 340 2HG GLU 42 1HG GLU 42 14.485 4.602 -1.179 341 H VAL 43 H VAL 43 9.563 6.355 -1.061 342 HA VAL 43 HA VAL 43 8.889 7.985 -3.414 343 HB VAL 43 HB VAL 43 7.748 5.184 -3.154 344 1HG1 VAL 43 1HG1 VAL 43 7.250 7.462 -5.084 345 2HG1 VAL 43 3HG1 VAL 43 6.799 5.795 -5.439 346 3HG1 VAL 43 2HG1 VAL 43 6.071 6.633 -4.068 347 1HG2 VAL 43 3HG2 VAL 43 9.711 6.413 -5.116 348 2HG2 VAL 43 2HG2 VAL 43 10.018 5.070 -4.014 349 3HG2 VAL 43 1HG2 VAL 43 8.912 4.862 -5.370 350 H LEU 44 H LEU 44 7.674 6.133 -0.595 351 HA LEU 44 HA LEU 44 5.099 7.433 -0.595 352 1HB LEU 44 2HB LEU 44 5.549 5.298 0.602 353 2HB LEU 44 1HB LEU 44 6.547 6.173 1.756 354 HG LEU 44 HG LEU 44 4.556 7.637 2.255 355 1HD1 LEU 44 2HD1 LEU 44 3.213 5.560 0.503 356 2HD1 LEU 44 1HD1 LEU 44 2.333 6.633 1.592 357 3HD1 LEU 44 3HD1 LEU 44 3.256 7.305 0.248 358 1HD2 LEU 44 2HD2 LEU 44 5.272 5.468 3.508 359 2HD2 LEU 44 1HD2 LEU 44 3.663 6.116 3.820 360 3HD2 LEU 44 3HD2 LEU 44 3.863 4.742 2.734 361 HA PRO 45 HA PRO 45 6.937 10.372 2.641 362 1HB PRO 45 2HB PRO 45 9.653 10.619 2.859 363 2HB PRO 45 1HB PRO 45 8.682 9.543 3.879 364 1HG PRO 45 2HG PRO 45 10.482 8.861 1.610 365 2HG PRO 45 1HG PRO 45 10.016 7.882 3.011 366 1HD PRO 45 2HD PRO 45 8.965 7.637 0.407 367 2HD PRO 45 1HD PRO 45 8.290 6.924 1.881 368 H LYS 46 H LYS 46 8.513 9.821 -0.424 369 HA LYS 46 HA LYS 46 9.570 12.447 -0.864 370 1HB LYS 46 2HB LYS 46 9.168 9.996 -2.404 371 2HB LYS 46 1HB LYS 46 8.909 11.436 -3.386 372 1HG LYS 46 2HG LYS 46 11.206 11.166 -3.608 373 2HG LYS 46 1HG LYS 46 11.132 12.259 -2.226 374 1HD LYS 46 2HD LYS 46 10.912 9.489 -1.358 375 2HD LYS 46 1HD LYS 46 12.372 9.732 -2.316 376 1HE LYS 46 2HE LYS 46 11.742 11.802 -0.267 377 2HE LYS 46 1HE LYS 46 12.301 10.234 0.319 378 1HZ LYS 46 2HZ LYS 46 13.705 11.677 -1.845 379 2HZ LYS 46 1HZ LYS 46 14.054 11.972 -0.208 380 3HZ LYS 46 3HZ LYS 46 14.288 10.422 -0.858 381 H TYR 47 H TYR 47 6.309 11.222 -1.030 382 HA TYR 47 HA TYR 47 5.466 13.694 -2.482 383 1HB TYR 47 2HB TYR 47 4.165 10.994 -2.116 384 2HB TYR 47 1HB TYR 47 3.254 12.397 -2.679 385 HD1 TYR 47 HD2 TYR 47 6.464 10.569 -3.370 386 HD2 TYR 47 HD1 TYR 47 3.193 12.855 -4.968 387 HE1 TYR 47 HE2 TYR 47 7.345 10.230 -5.663 388 HE2 TYR 47 HE1 TYR 47 4.075 12.512 -7.260 389 HH TYR 47 HH TYR 47 5.522 10.902 -8.447 390 H PHE 48 H PHE 48 4.714 11.705 0.376 391 HA PHE 48 HA PHE 48 3.109 13.985 1.446 392 1HB PHE 48 2HB PHE 48 3.190 11.103 2.387 393 2HB PHE 48 1HB PHE 48 2.076 12.354 2.937 394 HD1 PHE 48 HD2 PHE 48 3.176 10.511 -0.134 395 HD2 PHE 48 HD1 PHE 48 0.048 12.734 1.802 396 HE1 PHE 48 HE2 PHE 48 1.632 9.968 -2.000 397 HE2 PHE 48 HE1 PHE 48 -1.492 12.188 -0.062 398 HZ PHE 48 HZ PHE 48 -0.702 10.807 -1.962 399 H LYS 49 H LYS 49 5.816 11.842 2.106 400 HA LYS 49 HA LYS 49 7.553 11.995 3.670 401 1HB LYS 49 2HB LYS 49 7.148 14.556 2.860 402 2HB LYS 49 1HB LYS 49 6.841 14.691 4.586 403 1HG LYS 49 2HG LYS 49 9.011 13.560 5.045 404 2HG LYS 49 1HG LYS 49 9.333 13.539 3.310 405 1HD LYS 49 2HD LYS 49 9.487 15.898 3.193 406 2HD LYS 49 1HD LYS 49 8.698 16.110 4.756 407 1HE LYS 49 2HE LYS 49 11.140 16.488 4.917 408 2HE LYS 49 1HE LYS 49 10.636 15.107 5.890 409 1HZ LYS 49 2HZ LYS 49 11.491 14.695 3.107 410 2HZ LYS 49 1HZ LYS 49 12.663 14.901 4.318 411 3HZ LYS 49 3HZ LYS 49 11.556 13.621 4.421 412 H HIS 50 H HIS 50 7.871 11.741 5.948 413 HA HIS 50 HA HIS 50 7.172 11.152 8.111 414 1HB HIS 50 2HB HIS 50 5.285 13.437 7.490 415 2HB HIS 50 1HB HIS 50 5.340 12.644 9.065 416 HD1 HIS 50 HD1 HIS 50 8.387 12.218 9.314 417 HD2 HIS 50 HD2 HIS 50 6.650 15.799 8.075 418 HE1 HIS 50 HE1 HIS 50 10.089 14.035 9.771 419 H SER 51 H SER 51 6.130 9.620 5.930 420 HA SER 51 HA SER 51 3.451 8.856 7.023 421 1HB SER 51 2HB SER 51 3.634 9.834 4.606 422 2HB SER 51 1HB SER 51 4.316 8.262 4.200 423 HG SER 51 HG SER 51 1.897 8.644 4.112 424 H ASN 52 H ASN 52 2.991 6.454 6.307 425 HA ASN 52 HA ASN 52 5.457 4.797 6.462 426 1HB ASN 52 2HB ASN 52 3.377 5.084 8.533 427 2HB ASN 52 1HB ASN 52 3.709 3.410 8.093 428 1HD2 ASN 52 2HD2 ASN 52 6.658 3.374 10.006 429 2HD2 ASN 52 1HD2 ASN 52 5.336 2.519 9.370 430 H PHE 53 H PHE 53 4.950 2.476 5.924 431 HA PHE 53 HA PHE 53 3.460 2.253 3.519 432 1HB PHE 53 2HB PHE 53 3.693 -0.205 3.832 433 2HB PHE 53 1HB PHE 53 5.215 0.649 4.085 434 HD1 PHE 53 HD1 PHE 53 2.397 -1.076 5.749 435 HD2 PHE 53 HD2 PHE 53 6.244 0.759 6.275 436 HE1 PHE 53 HE1 PHE 53 2.539 -2.030 8.032 437 HE2 PHE 53 HE2 PHE 53 6.387 -0.196 8.560 438 HZ PHE 53 HZ PHE 53 4.533 -1.591 9.438 439 H ALA 54 H ALA 54 2.518 1.668 6.868 440 HA ALA 54 HA ALA 54 0.005 0.388 6.296 441 1HB ALA 54 1HB ALA 54 1.356 0.589 8.540 442 2HB ALA 54 3HB ALA 54 0.428 2.074 8.746 443 3HB ALA 54 2HB ALA 54 -0.405 0.527 8.590 444 H SER 55 H SER 55 1.003 3.757 6.553 445 HA SER 55 HA SER 55 -1.651 4.881 6.672 446 1HB SER 55 2HB SER 55 1.102 5.875 6.249 447 2HB SER 55 1HB SER 55 -0.165 6.854 5.517 448 HG SER 55 HG SER 55 -1.014 7.232 7.468 449 H PHE 56 H PHE 56 0.613 4.268 3.989 450 HA PHE 56 HA PHE 56 -0.994 5.355 1.898 451 1HB PHE 56 2HB PHE 56 1.406 4.687 1.671 452 2HB PHE 56 1HB PHE 56 0.913 2.996 1.750 453 HD1 PHE 56 HD2 PHE 56 -0.527 5.981 -0.013 454 HD2 PHE 56 HD1 PHE 56 1.109 2.027 -0.362 455 HE1 PHE 56 HE2 PHE 56 -0.988 6.008 -2.451 456 HE2 PHE 56 HE1 PHE 56 0.649 2.052 -2.800 457 HZ PHE 56 HZ PHE 56 -0.399 4.043 -3.843 458 H VAL 57 H VAL 57 -0.756 2.030 3.140 459 HA VAL 57 HA VAL 57 -2.694 0.862 1.407 460 HB VAL 57 HB VAL 57 -2.038 0.040 4.250 461 1HG1 VAL 57 1HG1 VAL 57 -4.017 -1.062 3.256 462 2HG1 VAL 57 3HG1 VAL 57 -3.047 -1.536 1.862 463 3HG1 VAL 57 2HG1 VAL 57 -2.684 -2.200 3.455 464 1HG2 VAL 57 3HG2 VAL 57 -0.225 0.314 2.178 465 2HG2 VAL 57 2HG2 VAL 57 -0.044 -0.789 3.541 466 3HG2 VAL 57 1HG2 VAL 57 -0.722 -1.372 2.023 467 H ARG 58 H ARG 58 -3.029 2.754 4.346 468 HA ARG 58 HA ARG 58 -5.758 2.012 4.929 469 1HB ARG 58 2HB ARG 58 -3.812 4.017 5.863 470 2HB ARG 58 1HB ARG 58 -5.482 4.580 5.913 471 1HG ARG 58 2HG ARG 58 -5.699 2.014 6.919 472 2HG ARG 58 1HG ARG 58 -4.143 2.540 7.559 473 1HD ARG 58 2HD ARG 58 -5.150 3.883 9.060 474 2HD ARG 58 1HD ARG 58 -6.092 4.674 7.797 475 HE ARG 58 HE ARG 58 -7.762 2.826 8.052 476 1HH1 ARG 58 2HH1 ARG 58 -7.507 0.706 9.455 477 2HH1 ARG 58 1HH1 ARG 58 -7.461 1.067 11.149 478 1HH2 ARG 58 1HH2 ARG 58 -6.780 4.436 10.680 479 2HH2 ARG 58 2HH2 ARG 58 -7.049 3.181 11.842 480 H GLN 59 H GLN 59 -4.303 4.689 3.075 481 HA GLN 59 HA GLN 59 -6.747 6.030 2.446 482 1HB GLN 59 2HB GLN 59 -4.100 5.884 0.981 483 2HB GLN 59 1HB GLN 59 -5.430 6.914 0.458 484 1HG GLN 59 2HG GLN 59 -4.093 7.039 3.180 485 2HG GLN 59 1HG GLN 59 -3.814 8.165 1.851 486 1HE2 GLN 59 2HE2 GLN 59 -7.023 8.683 4.238 487 2HE2 GLN 59 1HE2 GLN 59 -5.841 7.508 4.555 488 H LEU 60 H LEU 60 -4.907 3.574 0.606 489 HA LEU 60 HA LEU 60 -6.665 3.408 -1.621 490 1HB LEU 60 2HB LEU 60 -4.889 1.304 -0.354 491 2HB LEU 60 1HB LEU 60 -5.694 1.105 -1.910 492 HG LEU 60 HG LEU 60 -3.927 3.486 -1.343 493 1HD1 LEU 60 2HD1 LEU 60 -3.116 0.805 -2.512 494 2HD1 LEU 60 1HD1 LEU 60 -2.102 2.246 -2.464 495 3HD1 LEU 60 3HD1 LEU 60 -2.582 1.457 -0.962 496 1HD2 LEU 60 3HD2 LEU 60 -5.486 3.540 -3.283 497 2HD2 LEU 60 2HD2 LEU 60 -3.797 3.547 -3.793 498 3HD2 LEU 60 1HD2 LEU 60 -4.745 2.063 -3.898 499 H ASN 61 H ASN 61 -6.771 1.790 1.530 500 HA ASN 61 HA ASN 61 -8.981 0.045 0.817 501 1HB ASN 61 2HB ASN 61 -7.650 0.812 3.409 502 2HB ASN 61 1HB ASN 61 -9.101 -0.191 3.389 503 1HD2 ASN 61 2HD2 ASN 61 -7.414 -2.929 1.690 504 2HD2 ASN 61 1HD2 ASN 61 -8.908 -2.124 1.708 505 H MET 62 H MET 62 -8.762 3.348 1.883 506 HA MET 62 HA MET 62 -11.515 3.421 2.905 507 1HB MET 62 2HB MET 62 -9.345 5.477 2.523 508 2HB MET 62 1HB MET 62 -10.996 5.961 2.905 509 1HG MET 62 2HG MET 62 -10.885 4.312 4.853 510 2HG MET 62 1HG MET 62 -9.150 4.225 4.553 511 1HE MET 62 3HE MET 62 -8.794 4.686 6.750 512 2HE MET 62 2HE MET 62 -7.608 5.880 6.229 513 3HE MET 62 1HE MET 62 -8.731 6.273 7.529 514 H TYR 63 H TYR 63 -10.520 3.044 -0.162 515 HA TYR 63 HA TYR 63 -12.650 4.855 -1.218 516 1HB TYR 63 2HB TYR 63 -9.996 4.135 -2.492 517 2HB TYR 63 1HB TYR 63 -11.293 4.999 -3.322 518 HD1 TYR 63 HD2 TYR 63 -12.329 6.997 -1.797 519 HD2 TYR 63 HD1 TYR 63 -8.325 5.461 -1.555 520 HE1 TYR 63 HE2 TYR 63 -11.575 9.121 -0.762 521 HE2 TYR 63 HE1 TYR 63 -7.572 7.585 -0.518 522 HH TYR 63 HH TYR 63 -9.296 9.622 0.948 523 H GLY 64 H GLY 64 -10.959 1.745 -1.575 524 1HA GLY 64 2HA GLY 64 -13.086 0.096 -2.027 525 2HA GLY 64 1HA GLY 64 -12.854 0.822 -3.618 526 H TRP 65 H TRP 65 -9.871 0.999 -3.068 527 HA TRP 65 HA TRP 65 -9.027 -1.336 -4.403 528 1HB TRP 65 2HB TRP 65 -7.513 0.516 -2.545 529 2HB TRP 65 1HB TRP 65 -6.739 -0.752 -3.493 530 HD1 TRP 65 HD1 TRP 65 -8.428 2.634 -3.813 531 HE1 TRP 65 HE1 TRP 65 -8.065 3.535 -6.203 532 HE3 TRP 65 HE3 TRP 65 -6.361 -1.492 -5.999 533 HZ2 TRP 65 HZ2 TRP 65 -7.034 2.619 -8.709 534 HZ3 TRP 65 HZ3 TRP 65 -5.699 -1.451 -8.386 535 HH2 TRP 65 HH2 TRP 65 -6.032 0.597 -9.743 536 H HIS 66 H HIS 66 -8.662 -3.395 -3.753 537 HA HIS 66 HA HIS 66 -8.570 -3.948 -0.812 538 1HB HIS 66 2HB HIS 66 -9.854 -5.559 -3.038 539 2HB HIS 66 1HB HIS 66 -9.620 -6.166 -1.399 540 HD1 HIS 66 HD1 HIS 66 -12.477 -5.805 -2.519 541 HD2 HIS 66 HD2 HIS 66 -10.478 -2.899 -0.299 542 HE1 HIS 66 HE1 HIS 66 -14.262 -4.311 -1.522 543 H LYS 67 H LYS 67 -7.110 -5.615 -0.171 544 HA LYS 67 HA LYS 67 -4.873 -6.007 -2.049 545 1HB LYS 67 2HB LYS 67 -5.295 -6.276 0.884 546 2HB LYS 67 1HB LYS 67 -4.105 -7.357 0.160 547 1HG LYS 67 2HG LYS 67 -2.618 -5.666 0.148 548 2HG LYS 67 1HG LYS 67 -3.651 -4.797 -0.985 549 1HD LYS 67 2HD LYS 67 -3.730 -3.245 0.689 550 2HD LYS 67 1HD LYS 67 -4.975 -4.312 1.338 551 1HE LYS 67 2HE LYS 67 -2.675 -5.503 2.270 552 2HE LYS 67 1HE LYS 67 -2.250 -3.793 2.329 553 1HZ LYS 67 3HZ LYS 67 -4.304 -3.378 3.550 554 2HZ LYS 67 2HZ LYS 67 -4.666 -5.038 3.524 555 3HZ LYS 67 1HZ LYS 67 -3.305 -4.475 4.373 556 H VAL 68 H VAL 68 -6.428 -7.365 -3.419 557 HA VAL 68 HA VAL 68 -7.008 -9.466 -4.268 558 HB VAL 68 HB VAL 68 -5.070 -10.506 -2.176 559 1HG1 VAL 68 2HG1 VAL 68 -6.269 -11.658 -4.700 560 2HG1 VAL 68 1HG1 VAL 68 -4.814 -12.320 -3.956 561 3HG1 VAL 68 3HG1 VAL 68 -6.337 -12.321 -3.066 562 1HG2 VAL 68 1HG2 VAL 68 -4.656 -9.501 -5.005 563 2HG2 VAL 68 3HG2 VAL 68 -3.921 -8.871 -3.531 564 3HG2 VAL 68 2HG2 VAL 68 -3.462 -10.464 -4.135 565 H GLN 69 H GLN 69 -8.383 -11.293 -3.770 566 HA GLN 69 HA GLN 69 -9.672 -11.074 -1.077 567 1HB GLN 69 2HB GLN 69 -10.771 -11.683 -3.816 568 2HB GLN 69 1HB GLN 69 -11.629 -12.209 -2.368 569 1HG GLN 69 2HG GLN 69 -12.007 -10.014 -1.634 570 2HG GLN 69 1HG GLN 69 -10.699 -9.359 -2.621 571 1HE2 GLN 69 2HE2 GLN 69 -12.709 -9.584 -5.677 572 2HE2 GLN 69 1HE2 GLN 69 -11.138 -9.949 -5.152 573 H ASP 70 H ASP 70 -8.317 -13.253 -3.481 574 HA ASP 70 HA ASP 70 -9.172 -15.726 -2.312 575 1HB ASP 70 2HB ASP 70 -7.116 -14.860 -4.269 576 2HB ASP 70 1HB ASP 70 -6.794 -16.389 -3.450 577 H VAL 71 H VAL 71 -8.828 -15.927 -0.108 578 HA VAL 71 HA VAL 71 -5.978 -15.833 0.777 579 HB VAL 71 HB VAL 71 -6.813 -14.943 2.985 580 1HG1 VAL 71 2HG1 VAL 71 -5.962 -13.596 0.857 581 2HG1 VAL 71 1HG1 VAL 71 -7.616 -12.984 0.870 582 3HG1 VAL 71 3HG1 VAL 71 -6.578 -12.750 2.276 583 1HG2 VAL 71 2HG2 VAL 71 -9.274 -15.643 2.150 584 2HG2 VAL 71 1HG2 VAL 71 -9.014 -14.341 3.310 585 3HG2 VAL 71 3HG2 VAL 71 -9.271 -13.967 1.606 586 H LYS 72 H LYS 72 -6.324 -18.212 0.296 587 HA LYS 72 HA LYS 72 -7.727 -19.569 2.563 588 1HB LYS 72 2HB LYS 72 -8.293 -20.020 0.014 589 2HB LYS 72 1HB LYS 72 -6.855 -21.041 0.100 590 1HG LYS 72 2HG LYS 72 -8.856 -21.293 2.301 591 2HG LYS 72 1HG LYS 72 -9.276 -21.987 0.734 592 1HD LYS 72 2HD LYS 72 -6.728 -22.884 0.966 593 2HD LYS 72 1HD LYS 72 -7.181 -22.816 2.669 594 1HE LYS 72 2HE LYS 72 -7.810 -24.994 1.946 595 2HE LYS 72 1HE LYS 72 -9.312 -24.071 1.992 596 1HZ LYS 72 3HZ LYS 72 -9.069 -23.650 -0.383 597 2HZ LYS 72 2HZ LYS 72 -7.648 -24.580 -0.414 598 3HZ LYS 72 1HZ LYS 72 -9.138 -25.314 -0.058 599 H SER 73 H SER 73 -4.889 -20.008 0.409 600 HA SER 73 HA SER 73 -3.523 -21.527 2.550 601 1HB SER 73 2HB SER 73 -3.094 -21.090 -0.371 602 2HB SER 73 1HB SER 73 -1.668 -21.409 0.615 603 HG SER 73 HG SER 73 -2.805 -23.296 -0.256 604 H GLY 74 H GLY 74 -3.033 -18.558 0.630 605 1HA GLY 74 2HA GLY 74 -2.221 -16.501 1.629 606 2HA GLY 74 1HA GLY 74 -1.445 -17.455 2.892 607 H SER 75 H SER 75 -0.314 -19.381 0.943 608 HA SER 75 HA SER 75 1.691 -19.658 -0.242 609 1HB SER 75 2HB SER 75 0.768 -16.978 -1.302 610 2HB SER 75 1HB SER 75 2.213 -17.788 -1.900 611 HG SER 75 HG SER 75 0.899 -19.570 -2.431 612 H MET 76 H MET 76 2.820 -19.517 1.861 613 HA MET 76 HA MET 76 4.641 -17.164 1.910 614 1HB MET 76 2HB MET 76 4.476 -17.131 4.409 615 2HB MET 76 1HB MET 76 2.962 -16.697 3.615 616 1HG MET 76 2HG MET 76 2.090 -18.947 3.945 617 2HG MET 76 1HG MET 76 3.631 -19.480 4.614 618 1HE MET 76 2HE MET 76 3.457 -20.156 6.825 619 2HE MET 76 1HE MET 76 2.298 -19.589 8.026 620 3HE MET 76 3HE MET 76 1.731 -20.353 6.535 621 H LEU 77 H LEU 77 5.435 -19.481 0.768 622 HA LEU 77 HA LEU 77 6.715 -21.213 2.778 623 1HB LEU 77 2HB LEU 77 6.552 -21.239 -0.234 624 2HB LEU 77 1HB LEU 77 7.675 -22.290 0.628 625 HG LEU 77 HG LEU 77 5.299 -22.631 2.033 626 1HD1 LEU 77 2HD1 LEU 77 4.751 -21.929 -0.802 627 2HD1 LEU 77 1HD1 LEU 77 3.903 -23.339 -0.169 628 3HD1 LEU 77 3HD1 LEU 77 3.718 -21.770 0.618 629 1HD2 LEU 77 3HD2 LEU 77 6.876 -24.156 0.020 630 2HD2 LEU 77 2HD2 LEU 77 6.425 -24.600 1.666 631 3HD2 LEU 77 1HD2 LEU 77 5.252 -24.753 0.358 632 H SER 78 H SER 78 8.025 -19.384 3.651 633 HA SER 78 HA SER 78 10.071 -18.269 3.881 634 1HB SER 78 2HB SER 78 10.777 -20.705 3.238 635 2HB SER 78 1HB SER 78 11.186 -19.990 1.681 636 HG SER 78 HG SER 78 12.514 -18.512 2.804 637 H ASN 79 H ASN 79 8.109 -17.311 1.889 638 HA ASN 79 HA ASN 79 9.817 -16.243 -0.282 639 1HB ASN 79 2HB ASN 79 6.934 -16.630 0.157 640 2HB ASN 79 1HB ASN 79 7.325 -15.074 -0.577 641 1HD2 ASN 79 2HD2 ASN 79 8.673 -18.368 -2.654 642 2HD2 ASN 79 1HD2 ASN 79 8.837 -18.334 -0.964 643 H ASN 80 H ASN 80 8.532 -15.291 2.795 644 HA ASN 80 HA ASN 80 8.842 -13.342 4.038 645 1HB ASN 80 2HB ASN 80 11.084 -13.441 2.449 646 2HB ASN 80 1HB ASN 80 10.402 -11.876 2.003 647 1HD2 ASN 80 2HD2 ASN 80 12.297 -12.223 5.515 648 2HD2 ASN 80 1HD2 ASN 80 12.382 -13.394 4.289 649 H ASP 81 H ASP 81 6.958 -13.614 1.466 650 HA ASP 81 HA ASP 81 5.341 -12.275 0.430 651 1HB ASP 81 2HB ASP 81 5.693 -10.619 2.946 652 2HB ASP 81 1HB ASP 81 4.288 -10.618 1.881 653 H SER 82 H SER 82 7.044 -11.662 -1.183 654 HA SER 82 HA SER 82 7.797 -8.777 -0.924 655 1HB SER 82 2HB SER 82 9.508 -9.497 -2.778 656 2HB SER 82 1HB SER 82 9.845 -9.889 -1.093 657 HG SER 82 HG SER 82 9.859 -11.587 -2.946 658 H ARG 83 H ARG 83 5.248 -9.872 -1.925 659 HA ARG 83 HA ARG 83 5.273 -8.521 -4.558 660 1HB ARG 83 2HB ARG 83 4.403 -11.382 -4.103 661 2HB ARG 83 1HB ARG 83 3.857 -10.435 -5.487 662 1HG ARG 83 2HG ARG 83 6.475 -9.947 -5.707 663 2HG ARG 83 1HG ARG 83 6.577 -11.498 -4.871 664 1HD ARG 83 2HD ARG 83 4.944 -12.396 -6.612 665 2HD ARG 83 1HD ARG 83 5.220 -10.903 -7.509 666 HE ARG 83 HE ARG 83 7.603 -12.500 -6.764 667 1HH1 ARG 83 2HH1 ARG 83 7.398 -10.259 -8.848 668 2HH1 ARG 83 1HH1 ARG 83 7.457 -11.176 -10.316 669 1HH2 ARG 83 1HH2 ARG 83 6.774 -14.201 -8.765 670 2HH2 ARG 83 2HH2 ARG 83 7.103 -13.409 -10.270 671 H TRP 84 H TRP 84 3.737 -6.984 -4.254 672 HA TRP 84 HA TRP 84 1.263 -7.753 -2.757 673 1HB TRP 84 2HB TRP 84 2.580 -5.043 -3.083 674 2HB TRP 84 1HB TRP 84 1.020 -5.304 -2.303 675 HD1 TRP 84 HD1 TRP 84 4.559 -6.852 -1.995 676 HE1 TRP 84 HE1 TRP 84 5.078 -7.154 0.512 677 HE3 TRP 84 HE3 TRP 84 0.212 -5.094 0.023 678 HZ2 TRP 84 HZ2 TRP 84 3.816 -6.709 3.039 679 HZ3 TRP 84 HZ3 TRP 84 -0.104 -5.043 2.479 680 HH2 TRP 84 HH2 TRP 84 1.690 -5.847 3.990 681 H GLU 85 H GLU 85 -0.512 -7.892 -4.005 682 HA GLU 85 HA GLU 85 -0.546 -6.388 -6.591 683 1HB GLU 85 2HB GLU 85 -2.202 -8.824 -5.867 684 2HB GLU 85 1HB GLU 85 -2.006 -8.101 -7.463 685 1HG GLU 85 2HG GLU 85 -0.398 -9.700 -7.719 686 2HG GLU 85 1HG GLU 85 0.600 -8.569 -6.805 687 H PHE 86 H PHE 86 -2.120 -4.844 -6.811 688 HA PHE 86 HA PHE 86 -4.211 -4.738 -4.679 689 1HB PHE 86 2HB PHE 86 -3.116 -2.484 -6.389 690 2HB PHE 86 1HB PHE 86 -4.323 -2.316 -5.122 691 HD1 PHE 86 HD1 PHE 86 -2.687 -4.589 -3.412 692 HD2 PHE 86 HD2 PHE 86 -1.754 -0.781 -5.169 693 HE1 PHE 86 HE1 PHE 86 -0.885 -4.260 -1.745 694 HE2 PHE 86 HE2 PHE 86 0.050 -0.458 -3.503 695 HZ PHE 86 HZ PHE 86 0.486 -2.196 -1.789 696 H GLU 87 H GLU 87 -6.353 -4.540 -5.267 697 HA GLU 87 HA GLU 87 -7.003 -4.399 -8.170 698 1HB GLU 87 2HB GLU 87 -7.124 -6.758 -6.724 699 2HB GLU 87 1HB GLU 87 -8.776 -6.155 -6.602 700 1HG GLU 87 2HG GLU 87 -8.859 -5.902 -9.063 701 2HG GLU 87 1HG GLU 87 -7.215 -6.531 -9.178 702 H ASN 88 H ASN 88 -9.785 -4.600 -7.884 703 HA ASN 88 HA ASN 88 -10.920 -3.054 -5.782 704 1HB ASN 88 2HB ASN 88 -11.303 -0.914 -7.086 705 2HB ASN 88 1HB ASN 88 -9.637 -1.169 -6.565 706 1HD2 ASN 88 2HD2 ASN 88 -10.325 -0.664 -10.452 707 2HD2 ASN 88 1HD2 ASN 88 -11.411 -0.224 -9.223 708 H GLU 89 H GLU 89 -12.757 -4.294 -5.955 709 HA GLU 89 HA GLU 89 -14.088 -4.458 -8.621 710 1HB GLU 89 2HB GLU 89 -13.794 -6.296 -6.354 711 2HB GLU 89 1HB GLU 89 -15.467 -6.150 -6.889 712 1HG GLU 89 2HG GLU 89 -14.825 -7.744 -8.398 713 2HG GLU 89 1HG GLU 89 -14.232 -6.344 -9.291 714 H ARG 90 H ARG 90 -15.511 -4.691 -5.363 715 HA ARG 90 HA ARG 90 -16.699 -2.127 -5.220 716 1HB ARG 90 2HB ARG 90 -17.979 -3.897 -7.137 717 2HB ARG 90 1HB ARG 90 -19.095 -3.510 -5.831 718 1HG ARG 90 2HG ARG 90 -17.543 -1.473 -7.463 719 2HG ARG 90 1HG ARG 90 -19.246 -1.863 -7.676 720 1HD ARG 90 2HD ARG 90 -19.883 -0.763 -5.758 721 2HD ARG 90 1HD ARG 90 -18.362 -1.098 -4.934 722 HE ARG 90 HE ARG 90 -17.493 0.907 -5.828 723 1HH1 ARG 90 2HH1 ARG 90 -17.379 1.378 -8.387 724 2HH1 ARG 90 1HH1 ARG 90 -18.823 2.175 -8.915 725 1HH2 ARG 90 1HH2 ARG 90 -20.652 1.304 -6.102 726 2HH2 ARG 90 2HH2 ARG 90 -20.674 2.134 -7.623 727 H HIS 91 H HIS 91 -19.121 -2.660 -3.989 728 HA HIS 91 HA HIS 91 -18.883 -4.920 -2.157 729 1HB HIS 91 2HB HIS 91 -18.772 -3.467 -0.108 730 2HB HIS 91 1HB HIS 91 -17.292 -3.447 -1.066 731 HD1 HIS 91 HD1 HIS 91 -19.426 -1.181 0.619 732 HD2 HIS 91 HD2 HIS 91 -17.561 -1.116 -3.110 733 HE1 HIS 91 HE1 HIS 91 -19.363 1.244 -0.109 734 H ALA 92 HN ALA 92 -21.003 -5.239 -3.118 735 HA ALA 92 HA ALA 92 -23.096 -3.242 -2.557 736 1HB ALA 92 3HB ALA 92 -22.784 -5.112 -4.541 737 2HB ALA 92 2HB ALA 92 -23.923 -5.927 -3.469 738 3HB ALA 92 1HB ALA 92 -24.316 -4.340 -4.132 No H/Q in entry = 738 Start of MODEL 12 Raw file had 756 H/Q atoms Start of MODEL 12 1 1H ALA 1 2H ALA 1 -14.466 17.932 -3.812 2 2H ALA 1 1H ALA 1 -14.766 18.874 -5.194 3 3H ALA 1 3H ALA 1 -15.883 18.864 -3.918 4 HA ALA 1 HA ALA 1 -16.606 16.713 -4.377 5 1HB ALA 1 3HB ALA 1 -16.003 18.184 -6.959 6 2HB ALA 1 2HB ALA 1 -17.060 16.776 -6.860 7 3HB ALA 1 1HB ALA 1 -17.489 18.262 -6.012 8 H ARG 2 H ARG 2 -13.532 17.461 -5.946 9 HA ARG 2 HA ARG 2 -13.147 14.646 -6.751 10 1HB ARG 2 2HB ARG 2 -11.695 17.228 -7.198 11 2HB ARG 2 1HB ARG 2 -10.800 15.718 -7.369 12 1HG ARG 2 2HG ARG 2 -13.463 15.840 -8.691 13 2HG ARG 2 1HG ARG 2 -12.180 16.822 -9.403 14 1HD ARG 2 2HD ARG 2 -10.713 14.769 -9.384 15 2HD ARG 2 1HD ARG 2 -12.128 13.836 -8.897 16 HE ARG 2 HE ARG 2 -13.172 14.731 -11.081 17 1HH1 ARG 2 2HH1 ARG 2 -10.152 15.923 -11.217 18 2HH1 ARG 2 1HH1 ARG 2 -9.613 15.025 -12.597 19 1HH2 ARG 2 1HH2 ARG 2 -12.330 12.872 -12.591 20 2HH2 ARG 2 2HH2 ARG 2 -10.845 13.299 -13.374 21 HA PRO 3 HA PRO 3 -10.932 13.926 -3.009 22 1HB PRO 3 2HB PRO 3 -9.928 11.428 -3.542 23 2HB PRO 3 1HB PRO 3 -11.611 11.724 -3.069 24 1HG PRO 3 2HG PRO 3 -10.510 11.024 -5.739 25 2HG PRO 3 1HG PRO 3 -12.135 10.754 -5.087 26 1HD PRO 3 2HD PRO 3 -11.373 12.799 -6.894 27 2HD PRO 3 1HD PRO 3 -12.914 12.683 -6.024 28 H ALA 4 H ALA 4 -9.043 15.035 -2.696 29 HA ALA 4 HA ALA 4 -6.991 15.363 -4.640 30 1HB ALA 4 2HB ALA 4 -7.470 16.749 -2.509 31 2HB ALA 4 1HB ALA 4 -6.493 15.543 -1.671 32 3HB ALA 4 3HB ALA 4 -5.785 16.510 -2.966 33 H PHE 5 H PHE 5 -7.538 12.815 -2.296 34 HA PHE 5 HA PHE 5 -4.834 11.789 -2.281 35 1HB PHE 5 2HB PHE 5 -6.470 11.194 -0.520 36 2HB PHE 5 1HB PHE 5 -7.444 10.343 -1.719 37 HD1 PHE 5 HD2 PHE 5 -4.094 10.388 -0.072 38 HD2 PHE 5 HD1 PHE 5 -6.906 8.134 -2.408 39 HE1 PHE 5 HE2 PHE 5 -2.695 8.355 0.201 40 HE2 PHE 5 HE1 PHE 5 -5.506 6.105 -2.140 41 HZ PHE 5 HZ PHE 5 -3.400 6.215 -0.836 42 H VAL 6 H VAL 6 -7.769 10.878 -4.128 43 HA VAL 6 HA VAL 6 -6.500 8.757 -5.573 44 HB VAL 6 HB VAL 6 -8.794 10.464 -6.581 45 1HG1 VAL 6 3HG1 VAL 6 -7.548 8.798 -8.103 46 2HG1 VAL 6 2HG1 VAL 6 -8.215 7.534 -7.070 47 3HG1 VAL 6 1HG1 VAL 6 -9.295 8.597 -7.973 48 1HG2 VAL 6 3HG2 VAL 6 -9.035 9.425 -4.211 49 2HG2 VAL 6 2HG2 VAL 6 -10.292 9.058 -5.388 50 3HG2 VAL 6 1HG2 VAL 6 -9.035 7.872 -5.043 51 H ASN 7 H ASN 7 -6.691 12.241 -6.132 52 HA ASN 7 HA ASN 7 -5.603 12.239 -8.796 53 1HB ASN 7 2HB ASN 7 -5.685 14.268 -6.561 54 2HB ASN 7 1HB ASN 7 -4.794 14.603 -8.045 55 1HD2 ASN 7 2HD2 ASN 7 -8.407 15.732 -8.350 56 2HD2 ASN 7 1HD2 ASN 7 -7.225 16.013 -7.164 57 H LYS 8 H LYS 8 -4.205 12.240 -5.574 58 HA LYS 8 HA LYS 8 -1.442 12.509 -6.341 59 1HB LYS 8 2HB LYS 8 -2.211 12.950 -4.057 60 2HB LYS 8 1HB LYS 8 -2.778 11.293 -3.899 61 1HG LYS 8 2HG LYS 8 -0.098 11.014 -4.643 62 2HG LYS 8 1HG LYS 8 -0.089 12.376 -3.524 63 1HD LYS 8 2HD LYS 8 0.168 10.392 -2.186 64 2HD LYS 8 1HD LYS 8 -1.491 10.947 -1.949 65 1HE LYS 8 2HE LYS 8 -1.843 8.688 -2.376 66 2HE LYS 8 1HE LYS 8 -1.990 9.361 -4.000 67 1HZ LYS 8 3HZ LYS 8 0.577 8.370 -2.901 68 2HZ LYS 8 2HZ LYS 8 -0.493 7.377 -3.770 69 3HZ LYS 8 1HZ LYS 8 0.207 8.734 -4.515 70 H LEU 9 H LEU 9 -3.706 9.838 -6.214 71 HA LEU 9 HA LEU 9 -1.789 7.689 -6.262 72 1HB LEU 9 2HB LEU 9 -4.160 7.405 -5.602 73 2HB LEU 9 1HB LEU 9 -4.654 7.775 -7.253 74 HG LEU 9 HG LEU 9 -3.146 5.827 -7.969 75 1HD1 LEU 9 1HD1 LEU 9 -2.247 5.897 -5.423 76 2HD1 LEU 9 3HD1 LEU 9 -3.523 4.694 -5.243 77 3HD1 LEU 9 2HD1 LEU 9 -2.218 4.431 -6.400 78 1HD2 LEU 9 1HD2 LEU 9 -5.652 5.445 -6.308 79 2HD2 LEU 9 3HD2 LEU 9 -5.543 5.623 -8.059 80 3HD2 LEU 9 2HD2 LEU 9 -4.936 4.160 -7.282 81 H TRP 10 H TRP 10 -3.710 9.259 -8.842 82 HA TRP 10 HA TRP 10 -2.198 7.809 -10.906 83 1HB TRP 10 2HB TRP 10 -4.385 9.899 -11.139 84 2HB TRP 10 1HB TRP 10 -3.713 8.971 -12.481 85 HD1 TRP 10 HD1 TRP 10 -3.547 6.120 -11.250 86 HE1 TRP 10 HE1 TRP 10 -5.685 4.809 -10.655 87 HE3 TRP 10 HE3 TRP 10 -6.884 9.966 -10.870 88 HZ2 TRP 10 HZ2 TRP 10 -8.433 5.307 -10.105 89 HZ3 TRP 10 HZ3 TRP 10 -9.248 9.510 -10.304 90 HH2 TRP 10 HH2 TRP 10 -10.033 7.195 -9.927 91 H SER 11 H SER 11 -0.211 8.821 -10.082 92 HA SER 11 HA SER 11 0.758 10.882 -11.807 93 1HB SER 11 2HB SER 11 1.091 12.688 -10.189 94 2HB SER 11 1HB SER 11 -0.628 12.307 -10.258 95 HG SER 11 HG SER 11 -0.394 12.068 -8.177 96 H MET 12 H MET 12 0.963 9.328 -8.657 97 HA MET 12 HA MET 12 3.909 9.196 -8.730 98 1HB MET 12 2HB MET 12 2.833 9.624 -6.577 99 2HB MET 12 1HB MET 12 1.810 8.202 -6.765 100 1HG MET 12 2HG MET 12 4.729 7.725 -6.963 101 2HG MET 12 1HG MET 12 4.138 8.198 -5.371 102 1HE MET 12 3HE MET 12 2.152 7.445 -4.406 103 2HE MET 12 2HE MET 12 1.471 5.821 -4.452 104 3HE MET 12 1HE MET 12 3.021 6.095 -3.664 105 H VAL 13 H VAL 13 1.039 7.162 -9.125 106 HA VAL 13 HA VAL 13 2.528 4.671 -9.384 107 HB VAL 13 HB VAL 13 -0.292 5.302 -10.310 108 1HG1 VAL 13 3HG1 VAL 13 1.277 2.773 -9.810 109 2HG1 VAL 13 2HG1 VAL 13 -0.487 2.780 -9.756 110 3HG1 VAL 13 1HG1 VAL 13 0.351 3.226 -11.242 111 1HG2 VAL 13 2HG2 VAL 13 0.111 5.835 -7.894 112 2HG2 VAL 13 1HG2 VAL 13 -1.021 4.503 -8.126 113 3HG2 VAL 13 3HG2 VAL 13 0.645 4.171 -7.655 114 H ASN 14 H ASN 14 0.734 6.718 -11.708 115 HA ASN 14 HA ASN 14 2.092 5.369 -13.961 116 1HB ASN 14 2HB ASN 14 -0.432 6.323 -13.719 117 2HB ASN 14 1HB ASN 14 0.350 7.736 -14.429 118 1HD2 ASN 14 2HD2 ASN 14 1.470 5.542 -17.279 119 2HD2 ASN 14 1HD2 ASN 14 2.295 6.387 -16.059 120 H ASP 15 H ASP 15 4.138 6.380 -12.813 121 HA ASP 15 HA ASP 15 4.660 9.033 -14.095 122 1HB ASP 15 2HB ASP 15 4.533 8.618 -11.389 123 2HB ASP 15 1HB ASP 15 6.247 8.351 -11.690 124 H LYS 16 H LYS 16 6.794 9.315 -14.934 125 HA LYS 16 HA LYS 16 8.055 6.968 -15.988 126 1HB LYS 16 2HB LYS 16 9.949 8.546 -16.543 127 2HB LYS 16 1HB LYS 16 8.372 9.079 -17.123 128 1HG LYS 16 2HG LYS 16 8.258 10.828 -15.627 129 2HG LYS 16 1HG LYS 16 9.194 9.977 -14.399 130 1HD LYS 16 2HD LYS 16 10.591 11.747 -15.232 131 2HD LYS 16 1HD LYS 16 11.217 10.240 -15.899 132 1HE LYS 16 2HE LYS 16 10.185 10.648 -18.026 133 2HE LYS 16 1HE LYS 16 9.243 11.991 -17.381 134 1HZ LYS 16 3HZ LYS 16 12.127 12.208 -17.077 135 2HZ LYS 16 2HZ LYS 16 11.546 12.295 -18.671 136 3HZ LYS 16 1HZ LYS 16 10.983 13.388 -17.500 137 H SER 17 H SER 17 8.477 8.752 -13.007 138 HA SER 17 HA SER 17 10.961 7.335 -12.317 139 1HB SER 17 2HB SER 17 10.889 8.616 -10.266 140 2HB SER 17 1HB SER 17 10.464 9.710 -11.579 141 HG SER 17 HG SER 17 9.063 9.726 -9.663 142 H ASN 18 H ASN 18 10.993 6.001 -10.281 143 HA ASN 18 HA ASN 18 10.232 4.120 -9.108 144 1HB ASN 18 2HB ASN 18 7.376 4.832 -9.070 145 2HB ASN 18 1HB ASN 18 8.478 4.555 -7.730 146 1HD2 ASN 18 2HD2 ASN 18 7.303 8.257 -8.320 147 2HD2 ASN 18 1HD2 ASN 18 6.450 6.847 -8.725 148 H GLU 19 H GLU 19 9.962 4.279 -12.165 149 HA GLU 19 HA GLU 19 7.611 2.817 -12.924 150 1HB GLU 19 2HB GLU 19 9.134 4.115 -14.473 151 2HB GLU 19 1HB GLU 19 10.288 2.792 -14.335 152 1HG GLU 19 2HG GLU 19 8.906 1.287 -15.461 153 2HG GLU 19 1HG GLU 19 7.442 2.190 -15.072 154 H LYS 20 H LYS 20 10.754 1.820 -11.713 155 HA LYS 20 HA LYS 20 10.159 -1.021 -12.288 156 1HB LYS 20 2HB LYS 20 12.428 -1.448 -11.425 157 2HB LYS 20 1HB LYS 20 12.441 -0.212 -12.683 158 1HG LYS 20 2HG LYS 20 12.075 1.292 -10.394 159 2HG LYS 20 1HG LYS 20 13.143 0.010 -9.833 160 1HD LYS 20 2HD LYS 20 13.810 1.245 -12.456 161 2HD LYS 20 1HD LYS 20 14.077 2.238 -11.023 162 1HE LYS 20 2HE LYS 20 16.021 1.135 -10.728 163 2HE LYS 20 1HE LYS 20 15.077 -0.305 -10.346 164 1HZ LYS 20 2HZ LYS 20 14.942 -0.608 -12.854 165 2HZ LYS 20 1HZ LYS 20 16.214 0.515 -12.946 166 3HZ LYS 20 3HZ LYS 20 16.431 -0.944 -12.108 167 H PHE 21 H PHE 21 9.030 0.941 -9.973 168 HA PHE 21 HA PHE 21 9.193 -1.198 -7.898 169 1HB PHE 21 2HB PHE 21 9.187 1.801 -7.469 170 2HB PHE 21 1HB PHE 21 9.098 0.596 -6.182 171 HD1 PHE 21 HD1 PHE 21 10.950 -1.437 -6.726 172 HD2 PHE 21 HD2 PHE 21 11.312 2.739 -7.673 173 HE1 PHE 21 HE1 PHE 21 13.417 -1.660 -6.764 174 HE2 PHE 21 HE2 PHE 21 13.782 2.514 -7.712 175 HZ PHE 21 HZ PHE 21 14.835 0.314 -7.258 176 H ILE 22 H ILE 22 7.112 0.568 -9.924 177 HA ILE 22 HA ILE 22 4.775 -0.616 -8.724 178 HB ILE 22 HB ILE 22 5.155 1.245 -7.116 179 1HG1 ILE 22 2HG1 ILE 22 2.738 1.768 -8.866 180 2HG1 ILE 22 1HG1 ILE 22 2.855 0.406 -7.751 181 1HG2 ILE 22 2HG2 ILE 22 6.034 2.707 -9.200 182 2HG2 ILE 22 1HG2 ILE 22 4.366 3.270 -9.155 183 3HG2 ILE 22 3HG2 ILE 22 5.396 3.447 -7.733 184 1HD1 ILE 22 2HD1 ILE 22 3.447 2.194 -5.966 185 2HD1 ILE 22 1HD1 ILE 22 2.778 3.351 -7.117 186 3HD1 ILE 22 3HD1 ILE 22 1.764 2.059 -6.473 187 H HIS 23 H HIS 23 3.489 -1.024 -10.443 188 HA HIS 23 HA HIS 23 3.082 1.040 -12.511 189 1HB HIS 23 2HB HIS 23 3.598 -0.573 -14.350 190 2HB HIS 23 1HB HIS 23 5.017 -0.145 -13.398 191 HD1 HIS 23 HD1 HIS 23 5.774 -2.582 -14.499 192 HD2 HIS 23 HD2 HIS 23 2.971 -2.672 -11.416 193 HE1 HIS 23 HE1 HIS 23 5.789 -4.943 -13.586 194 H TRP 24 H TRP 24 1.555 -0.124 -14.291 195 HA TRP 24 HA TRP 24 -0.783 -1.022 -12.758 196 1HB TRP 24 2HB TRP 24 -0.328 -0.464 -15.703 197 2HB TRP 24 1HB TRP 24 -1.870 -1.005 -15.049 198 HD1 TRP 24 HD1 TRP 24 0.098 1.388 -12.861 199 HE1 TRP 24 HE1 TRP 24 -1.045 3.693 -12.879 200 HE3 TRP 24 HE3 TRP 24 -3.298 0.658 -16.607 201 HZ2 TRP 24 HZ2 TRP 24 -3.126 5.052 -14.293 202 HZ3 TRP 24 HZ3 TRP 24 -4.846 2.476 -17.269 203 HH2 TRP 24 HH2 TRP 24 -4.764 4.670 -16.118 204 H SER 25 H SER 25 -1.940 -3.020 -13.305 205 HA SER 25 HA SER 25 -0.128 -5.270 -13.599 206 1HB SER 25 2HB SER 25 -3.109 -4.990 -13.268 207 2HB SER 25 1HB SER 25 -2.387 -6.554 -13.636 208 HG SER 25 HG SER 25 -2.336 -6.467 -11.470 209 H THR 26 H THR 26 -3.179 -4.924 -15.419 210 HA THR 26 HA THR 26 -1.775 -4.952 -17.995 211 HB THR 26 HB THR 26 -3.476 -7.334 -17.200 212 HG1 THR 26 HG1 THR 26 -0.681 -7.205 -17.630 213 1HG2 THR 26 1HG2 THR 26 -2.795 -6.294 -19.726 214 2HG2 THR 26 3HG2 THR 26 -1.714 -7.666 -19.474 215 3HG2 THR 26 2HG2 THR 26 -3.460 -7.891 -19.379 216 H SER 27 H SER 27 -4.957 -5.973 -16.697 217 HA SER 27 HA SER 27 -6.411 -4.734 -18.863 218 1HB SER 27 2HB SER 27 -7.615 -5.383 -16.182 219 2HB SER 27 1HB SER 27 -8.356 -5.484 -17.777 220 HG SER 27 HG SER 27 -6.690 -7.255 -16.449 221 H GLY 28 H GLY 28 -4.961 -3.420 -16.051 222 1HA GLY 28 2HA GLY 28 -4.865 -1.027 -15.701 223 2HA GLY 28 1HA GLY 28 -6.424 -0.875 -16.514 224 H GLU 29 H GLU 29 -6.260 0.402 -14.148 225 HA GLU 29 HA GLU 29 -7.249 0.579 -12.029 226 1HB GLU 29 2HB GLU 29 -8.894 -1.556 -13.374 227 2HB GLU 29 1HB GLU 29 -9.205 -1.114 -11.696 228 1HG GLU 29 2HG GLU 29 -10.621 0.357 -12.823 229 2HG GLU 29 1HG GLU 29 -9.171 1.345 -12.639 230 H SER 30 H SER 30 -4.963 -1.402 -12.552 231 HA SER 30 HA SER 30 -5.222 -2.810 -9.945 232 1HB SER 30 2HB SER 30 -4.739 -4.032 -12.632 233 2HB SER 30 1HB SER 30 -3.848 -4.687 -11.260 234 HG SER 30 HG SER 30 -5.981 -5.626 -11.704 235 H ILE 31 H ILE 31 -3.213 -3.034 -8.856 236 HA ILE 31 HA ILE 31 -0.885 -1.713 -10.197 237 HB ILE 31 HB ILE 31 -1.681 -1.438 -7.283 238 1HG1 ILE 31 2HG1 ILE 31 -1.789 0.624 -9.504 239 2HG1 ILE 31 1HG1 ILE 31 -3.194 -0.271 -8.928 240 1HG2 ILE 31 2HG2 ILE 31 0.509 -0.171 -8.956 241 2HG2 ILE 31 1HG2 ILE 31 0.079 0.349 -7.326 242 3HG2 ILE 31 3HG2 ILE 31 0.725 -1.270 -7.594 243 1HD1 ILE 31 2HD1 ILE 31 -1.966 0.723 -6.600 244 2HD1 ILE 31 1HD1 ILE 31 -1.905 2.051 -7.760 245 3HD1 ILE 31 3HD1 ILE 31 -3.452 1.312 -7.347 246 H VAL 32 H VAL 32 1.201 -2.448 -9.467 247 HA VAL 32 HA VAL 32 1.185 -4.985 -7.894 248 HB VAL 32 HB VAL 32 2.778 -4.539 -10.438 249 1HG1 VAL 32 2HG1 VAL 32 2.521 -6.768 -8.433 250 2HG1 VAL 32 1HG1 VAL 32 2.920 -7.137 -10.111 251 3HG1 VAL 32 3HG1 VAL 32 3.980 -6.094 -9.161 252 1HG2 VAL 32 2HG2 VAL 32 0.158 -5.934 -9.887 253 2HG2 VAL 32 1HG2 VAL 32 0.548 -4.797 -11.178 254 3HG2 VAL 32 3HG2 VAL 32 1.191 -6.438 -11.226 255 H VAL 33 H VAL 33 3.349 -5.467 -6.972 256 HA VAL 33 HA VAL 33 5.218 -3.154 -6.887 257 HB VAL 33 HB VAL 33 4.163 -4.537 -4.402 258 1HG1 VAL 33 1HG1 VAL 33 6.486 -3.678 -4.254 259 2HG1 VAL 33 3HG1 VAL 33 5.918 -2.088 -4.761 260 3HG1 VAL 33 2HG1 VAL 33 5.385 -2.764 -3.222 261 1HG2 VAL 33 1HG2 VAL 33 3.562 -1.783 -5.532 262 2HG2 VAL 33 3HG2 VAL 33 2.428 -3.131 -5.435 263 3HG2 VAL 33 2HG2 VAL 33 3.028 -2.376 -3.958 264 HA PRO 34 HA PRO 34 7.367 -7.159 -7.341 265 1HB PRO 34 2HB PRO 34 9.584 -6.141 -8.596 266 2HB PRO 34 1HB PRO 34 8.122 -6.657 -9.456 267 1HG PRO 34 2HG PRO 34 9.097 -3.904 -8.898 268 2HG PRO 34 1HG PRO 34 8.048 -4.482 -10.202 269 1HD PRO 34 2HD PRO 34 7.207 -3.127 -7.866 270 2HD PRO 34 1HD PRO 34 6.162 -3.968 -9.025 271 H ASN 35 H ASN 35 8.336 -4.039 -6.075 272 HA ASN 35 HA ASN 35 9.903 -5.397 -3.969 273 1HB ASN 35 2HB ASN 35 11.021 -3.424 -5.954 274 2HB ASN 35 1HB ASN 35 11.699 -3.539 -4.329 275 1HD2 ASN 35 2HD2 ASN 35 12.872 -6.209 -7.031 276 2HD2 ASN 35 1HD2 ASN 35 12.157 -4.715 -7.401 277 H ARG 36 H ARG 36 8.255 -4.681 -2.528 278 HA ARG 36 HA ARG 36 7.469 -1.874 -2.415 279 1HB ARG 36 2HB ARG 36 6.073 -3.908 -1.676 280 2HB ARG 36 1HB ARG 36 7.066 -3.908 -0.217 281 1HG ARG 36 2HG ARG 36 6.359 -1.682 0.360 282 2HG ARG 36 1HG ARG 36 5.571 -1.465 -1.203 283 1HD ARG 36 2HD ARG 36 4.065 -3.411 -0.604 284 2HD ARG 36 1HD ARG 36 4.746 -3.347 1.021 285 HE ARG 36 HE ARG 36 3.785 -0.747 0.223 286 1HH1 ARG 36 2HH1 ARG 36 3.400 -2.085 2.915 287 2HH1 ARG 36 1HH1 ARG 36 1.686 -2.334 2.935 288 1HH2 ARG 36 1HH2 ARG 36 1.309 -1.843 -0.477 289 2HH2 ARG 36 2HH2 ARG 36 0.502 -2.196 1.014 290 H GLU 37 H GLU 37 9.898 -3.887 -0.885 291 HA GLU 37 HA GLU 37 10.494 -2.246 1.370 292 1HB GLU 37 2HB GLU 37 11.360 -4.586 0.932 293 2HB GLU 37 1HB GLU 37 12.490 -3.877 -0.221 294 1HG GLU 37 2HG GLU 37 13.756 -3.936 1.752 295 2HG GLU 37 1HG GLU 37 13.124 -2.290 1.756 296 H ARG 38 H ARG 38 11.790 -2.201 -1.955 297 HA ARG 38 HA ARG 38 13.481 0.123 -1.361 298 1HB ARG 38 2HB ARG 38 13.291 -1.859 -3.445 299 2HB ARG 38 1HB ARG 38 13.234 -0.257 -4.177 300 1HG ARG 38 2HG ARG 38 15.250 -0.577 -2.030 301 2HG ARG 38 1HG ARG 38 15.548 -1.530 -3.483 302 1HD ARG 38 2HD ARG 38 15.071 0.658 -4.778 303 2HD ARG 38 1HD ARG 38 15.292 1.463 -3.225 304 HE ARG 38 HE ARG 38 17.411 -0.191 -4.539 305 1HH1 ARG 38 2HH1 ARG 38 18.987 -0.011 -2.575 306 2HH1 ARG 38 1HH1 ARG 38 19.395 1.633 -2.212 307 1HH2 ARG 38 1HH2 ARG 38 16.777 2.970 -4.050 308 2HH2 ARG 38 2HH2 ARG 38 18.146 3.320 -3.047 309 H PHE 39 H PHE 39 10.309 -0.496 -2.720 310 HA PHE 39 HA PHE 39 9.862 1.945 -4.103 311 1HB PHE 39 2HB PHE 39 8.252 0.186 -4.348 312 2HB PHE 39 1HB PHE 39 8.009 0.065 -2.610 313 HD1 PHE 39 HD1 PHE 39 7.430 2.239 -5.580 314 HD2 PHE 39 HD2 PHE 39 6.433 1.447 -1.480 315 HE1 PHE 39 HE1 PHE 39 5.552 3.851 -5.727 316 HE2 PHE 39 HE2 PHE 39 4.555 3.059 -1.623 317 HZ PHE 39 HZ PHE 39 4.115 4.263 -3.747 318 H VAL 40 H VAL 40 8.660 1.175 -0.824 319 HA VAL 40 HA VAL 40 7.960 3.766 -0.024 320 HB VAL 40 HB VAL 40 9.191 1.642 1.759 321 1HG1 VAL 40 1HG1 VAL 40 8.741 4.045 2.608 322 2HG1 VAL 40 3HG1 VAL 40 7.034 3.629 2.460 323 3HG1 VAL 40 2HG1 VAL 40 8.076 2.708 3.546 324 1HG2 VAL 40 1HG2 VAL 40 6.417 1.961 0.603 325 2HG2 VAL 40 3HG2 VAL 40 7.442 0.527 0.608 326 3HG2 VAL 40 2HG2 VAL 40 6.692 1.078 2.104 327 H GLN 41 H GLN 41 11.120 2.180 0.190 328 HA GLN 41 HA GLN 41 12.567 3.990 1.728 329 1HB GLN 41 2HB GLN 41 13.298 2.237 -0.588 330 2HB GLN 41 1HB GLN 41 14.503 3.349 0.060 331 1HG GLN 41 2HG GLN 41 13.129 1.958 2.216 332 2HG GLN 41 1HG GLN 41 13.824 0.808 1.076 333 1HE2 GLN 41 2HE2 GLN 41 17.039 1.267 2.406 334 2HE2 GLN 41 1HE2 GLN 41 15.917 0.238 1.656 335 H GLU 42 H GLU 42 12.431 4.170 -1.875 336 HA GLU 42 HA GLU 42 13.043 7.086 -1.571 337 1HB GLU 42 2HB GLU 42 13.716 5.275 -3.907 338 2HB GLU 42 1HB GLU 42 14.192 6.965 -3.719 339 1HG GLU 42 2HG GLU 42 15.169 6.048 -1.411 340 2HG GLU 42 1HG GLU 42 15.226 4.537 -2.319 341 H VAL 43 H VAL 43 10.323 6.138 -1.546 342 HA VAL 43 HA VAL 43 9.352 7.641 -3.892 343 HB VAL 43 HB VAL 43 8.236 4.877 -3.366 344 1HG1 VAL 43 3HG1 VAL 43 6.736 6.556 -4.415 345 2HG1 VAL 43 2HG1 VAL 43 7.940 6.815 -5.679 346 3HG1 VAL 43 1HG1 VAL 43 7.142 5.249 -5.529 347 1HG2 VAL 43 3HG2 VAL 43 10.235 5.810 -5.456 348 2HG2 VAL 43 2HG2 VAL 43 10.535 4.634 -4.176 349 3HG2 VAL 43 1HG2 VAL 43 9.415 4.248 -5.483 350 H LEU 44 H LEU 44 8.520 5.936 -0.863 351 HA LEU 44 HA LEU 44 5.872 7.052 -0.676 352 1HB LEU 44 2HB LEU 44 6.591 5.057 0.596 353 2HB LEU 44 1HB LEU 44 7.682 6.054 1.548 354 HG LEU 44 HG LEU 44 5.603 7.456 2.141 355 1HD1 LEU 44 3HD1 LEU 44 4.441 5.203 0.592 356 2HD1 LEU 44 2HD1 LEU 44 3.600 5.626 2.083 357 3HD1 LEU 44 1HD1 LEU 44 3.831 6.840 0.825 358 1HD2 LEU 44 1HD2 LEU 44 6.832 5.362 3.388 359 2HD2 LEU 44 3HD2 LEU 44 5.503 6.276 4.096 360 3HD2 LEU 44 2HD2 LEU 44 5.182 4.748 3.277 361 HA PRO 45 HA PRO 45 7.750 10.343 2.182 362 1HB PRO 45 2HB PRO 45 10.437 10.851 2.071 363 2HB PRO 45 1HB PRO 45 9.699 9.753 3.250 364 1HG PRO 45 2HG PRO 45 11.287 9.103 0.818 365 2HG PRO 45 1HG PRO 45 11.091 8.175 2.314 366 1HD PRO 45 2HD PRO 45 9.778 7.663 -0.126 367 2HD PRO 45 1HD PRO 45 9.350 6.988 1.454 368 H LYS 46 H LYS 46 8.917 9.749 -1.044 369 HA LYS 46 HA LYS 46 9.721 12.408 -1.733 370 1HB LYS 46 2HB LYS 46 9.594 9.922 -3.024 371 2HB LYS 46 1HB LYS 46 8.526 10.963 -3.965 372 1HG LYS 46 2HG LYS 46 10.791 11.150 -4.844 373 2HG LYS 46 1HG LYS 46 10.353 12.669 -4.065 374 1HD LYS 46 2HD LYS 46 11.435 11.274 -1.963 375 2HD LYS 46 1HD LYS 46 12.413 10.693 -3.309 376 1HE LYS 46 2HE LYS 46 11.909 13.625 -3.196 377 2HE LYS 46 1HE LYS 46 12.994 12.960 -1.976 378 1HZ LYS 46 1HZ LYS 46 13.262 12.486 -4.894 379 2HZ LYS 46 3HZ LYS 46 14.135 13.656 -4.031 380 3HZ LYS 46 2HZ LYS 46 14.351 12.007 -3.681 381 H TYR 47 H TYR 47 6.588 11.118 -1.114 382 HA TYR 47 HA TYR 47 5.375 13.506 -2.446 383 1HB TYR 47 2HB TYR 47 4.265 10.716 -2.068 384 2HB TYR 47 1HB TYR 47 3.279 12.090 -2.570 385 HD1 TYR 47 HD2 TYR 47 6.135 9.914 -3.510 386 HD2 TYR 47 HD1 TYR 47 3.451 13.023 -4.782 387 HE1 TYR 47 HE2 TYR 47 6.907 9.628 -5.850 388 HE2 TYR 47 HE1 TYR 47 4.225 12.734 -7.120 389 HH TYR 47 HH TYR 47 5.941 10.081 -8.174 390 H PHE 48 H PHE 48 4.982 11.219 0.276 391 HA PHE 48 HA PHE 48 3.261 13.173 1.677 392 1HB PHE 48 2HB PHE 48 4.171 10.363 2.346 393 2HB PHE 48 1HB PHE 48 3.203 11.348 3.443 394 HD1 PHE 48 HD1 PHE 48 1.195 12.643 2.022 395 HD2 PHE 48 HD2 PHE 48 2.935 8.815 1.136 396 HE1 PHE 48 HE1 PHE 48 -0.860 11.992 0.791 397 HE2 PHE 48 HE2 PHE 48 0.881 8.167 -0.094 398 HZ PHE 48 HZ PHE 48 -1.014 9.755 -0.265 399 H LYS 49 H LYS 49 3.861 13.161 4.223 400 HA LYS 49 HA LYS 49 6.714 14.041 4.363 401 1HB LYS 49 2HB LYS 49 4.188 15.106 5.483 402 2HB LYS 49 1HB LYS 49 5.550 15.091 6.601 403 1HG LYS 49 2HG LYS 49 6.690 16.034 4.250 404 2HG LYS 49 1HG LYS 49 5.093 16.781 4.245 405 1HD LYS 49 2HD LYS 49 6.526 16.821 6.843 406 2HD LYS 49 1HD LYS 49 7.219 17.825 5.570 407 1HE LYS 49 2HE LYS 49 5.187 19.054 5.299 408 2HE LYS 49 1HE LYS 49 4.278 17.894 6.269 409 1HZ LYS 49 3HZ LYS 49 6.496 19.584 7.287 410 2HZ LYS 49 2HZ LYS 49 4.843 19.920 7.500 411 3HZ LYS 49 1HZ LYS 49 5.529 18.535 8.203 412 H HIS 50 H HIS 50 4.145 12.407 6.238 413 HA HIS 50 HA HIS 50 6.230 10.667 7.425 414 1HB HIS 50 2HB HIS 50 4.345 12.440 8.985 415 2HB HIS 50 1HB HIS 50 5.096 11.011 9.698 416 HD1 HIS 50 HD1 HIS 50 7.719 11.017 9.909 417 HD2 HIS 50 HD2 HIS 50 6.092 14.630 8.612 418 HE1 HIS 50 HE1 HIS 50 9.562 12.744 10.106 419 H SER 51 H SER 51 3.808 10.469 5.540 420 HA SER 51 HA SER 51 1.944 8.752 7.031 421 1HB SER 51 2HB SER 51 1.691 10.302 4.775 422 2HB SER 51 1HB SER 51 1.850 8.692 4.079 423 HG SER 51 HG SER 51 -0.288 9.744 5.122 424 H ASN 52 H ASN 52 2.997 6.886 7.673 425 HA ASN 52 HA ASN 52 4.980 5.505 6.142 426 1HB ASN 52 2HB ASN 52 3.235 4.758 8.473 427 2HB ASN 52 1HB ASN 52 4.246 3.540 7.694 428 1HD2 ASN 52 2HD2 ASN 52 6.048 5.674 10.420 429 2HD2 ASN 52 1HD2 ASN 52 4.427 5.175 10.407 430 H PHE 53 H PHE 53 4.691 3.187 5.414 431 HA PHE 53 HA PHE 53 2.878 2.995 3.256 432 1HB PHE 53 2HB PHE 53 3.385 0.502 3.386 433 2HB PHE 53 1HB PHE 53 4.791 1.555 3.254 434 HD1 PHE 53 HD2 PHE 53 2.671 -0.283 5.724 435 HD2 PHE 53 HD1 PHE 53 6.485 1.520 4.910 436 HE1 PHE 53 HE2 PHE 53 3.570 -1.236 7.829 437 HE2 PHE 53 HE1 PHE 53 7.384 0.564 7.015 438 HZ PHE 53 HZ PHE 53 5.927 -0.813 8.474 439 H ALA 54 H ALA 54 2.477 2.147 6.631 440 HA ALA 54 HA ALA 54 0.175 0.473 6.407 441 1HB ALA 54 2HB ALA 54 1.717 1.322 8.484 442 2HB ALA 54 1HB ALA 54 0.284 2.320 8.727 443 3HB ALA 54 3HB ALA 54 0.139 0.562 8.694 444 H SER 55 H SER 55 0.485 4.002 6.775 445 HA SER 55 HA SER 55 -2.330 4.552 6.832 446 1HB SER 55 2HB SER 55 -0.683 6.219 7.553 447 2HB SER 55 1HB SER 55 -0.006 6.282 5.928 448 HG SER 55 HG SER 55 -2.032 7.662 6.911 449 H PHE 56 H PHE 56 0.010 4.146 4.221 450 HA PHE 56 HA PHE 56 -1.592 5.132 2.073 451 1HB PHE 56 2HB PHE 56 0.851 4.563 1.926 452 2HB PHE 56 1HB PHE 56 0.411 2.857 1.961 453 HD1 PHE 56 HD2 PHE 56 -1.157 5.790 0.239 454 HD2 PHE 56 HD1 PHE 56 0.755 1.971 -0.180 455 HE1 PHE 56 HE2 PHE 56 -1.570 5.857 -2.207 456 HE2 PHE 56 HE1 PHE 56 0.342 2.032 -2.626 457 HZ PHE 56 HZ PHE 56 -0.820 3.975 -3.640 458 H VAL 57 H VAL 57 -1.301 1.869 3.448 459 HA VAL 57 HA VAL 57 -3.073 0.567 1.627 460 HB VAL 57 HB VAL 57 -2.536 -0.137 4.530 461 1HG1 VAL 57 2HG1 VAL 57 -3.699 -1.619 2.172 462 2HG1 VAL 57 1HG1 VAL 57 -2.924 -2.489 3.496 463 3HG1 VAL 57 3HG1 VAL 57 -4.337 -1.482 3.810 464 1HG2 VAL 57 3HG2 VAL 57 -0.608 0.155 2.659 465 2HG2 VAL 57 2HG2 VAL 57 -0.545 -1.098 3.897 466 3HG2 VAL 57 1HG2 VAL 57 -1.127 -1.486 2.278 467 H ARG 58 H ARG 58 -3.667 2.261 4.702 468 HA ARG 58 HA ARG 58 -6.419 1.525 4.970 469 1HB ARG 58 2HB ARG 58 -4.732 3.780 6.006 470 2HB ARG 58 1HB ARG 58 -6.483 3.845 6.218 471 1HG ARG 58 2HG ARG 58 -4.957 1.356 6.950 472 2HG ARG 58 1HG ARG 58 -5.046 2.710 8.076 473 1HD ARG 58 2HD ARG 58 -7.537 2.647 7.896 474 2HD ARG 58 1HD ARG 58 -7.397 1.217 6.873 475 HE ARG 58 HE ARG 58 -6.380 1.252 9.688 476 1HH1 ARG 58 1HH2 ARG 58 -6.237 -0.932 7.365 477 2HH1 ARG 58 2HH2 ARG 58 -7.349 -2.084 8.027 478 1HH2 ARG 58 2HH1 ARG 58 -8.600 0.101 10.413 479 2HH2 ARG 58 1HH1 ARG 58 -8.689 -1.499 9.754 480 H GLN 59 H GLN 59 -4.857 4.201 3.233 481 HA GLN 59 HA GLN 59 -7.248 5.603 2.522 482 1HB GLN 59 2HB GLN 59 -4.551 5.428 1.147 483 2HB GLN 59 1HB GLN 59 -5.837 6.518 0.640 484 1HG GLN 59 2HG GLN 59 -4.586 6.487 3.400 485 2HG GLN 59 1HG GLN 59 -4.201 7.645 2.126 486 1HE2 GLN 59 2HE2 GLN 59 -7.469 8.251 4.401 487 2HE2 GLN 59 1HE2 GLN 59 -6.339 7.032 4.742 488 H LEU 60 H LEU 60 -5.369 3.139 0.750 489 HA LEU 60 HA LEU 60 -7.013 3.047 -1.569 490 1HB LEU 60 2HB LEU 60 -5.251 0.964 -0.268 491 2HB LEU 60 1HB LEU 60 -6.033 0.714 -1.821 492 HG LEU 60 HG LEU 60 -4.350 3.159 -1.307 493 1HD1 LEU 60 3HD1 LEU 60 -3.242 0.747 -0.967 494 2HD1 LEU 60 2HD1 LEU 60 -3.198 0.803 -2.729 495 3HD1 LEU 60 1HD1 LEU 60 -2.385 2.052 -1.787 496 1HD2 LEU 60 2HD2 LEU 60 -5.120 1.607 -3.800 497 2HD2 LEU 60 1HD2 LEU 60 -5.821 3.142 -3.286 498 3HD2 LEU 60 3HD2 LEU 60 -4.127 3.065 -3.775 499 H ASN 61 H ASN 61 -7.353 1.478 1.571 500 HA ASN 61 HA ASN 61 -9.503 -0.284 0.654 501 1HB ASN 61 2HB ASN 61 -7.810 -0.581 2.662 502 2HB ASN 61 1HB ASN 61 -9.043 0.315 3.553 503 1HD2 ASN 61 2HD2 ASN 61 -9.842 -3.495 2.279 504 2HD2 ASN 61 1HD2 ASN 61 -8.471 -2.677 1.700 505 H MET 62 H MET 62 -9.304 2.963 1.883 506 HA MET 62 HA MET 62 -12.090 3.031 2.803 507 1HB MET 62 2HB MET 62 -9.788 4.912 2.735 508 2HB MET 62 1HB MET 62 -11.392 5.642 2.657 509 1HG MET 62 2HG MET 62 -11.877 3.933 4.641 510 2HG MET 62 1HG MET 62 -10.133 4.065 4.861 511 1HE MET 62 2HE MET 62 -13.065 5.917 3.748 512 2HE MET 62 1HE MET 62 -13.627 6.307 5.372 513 3HE MET 62 3HE MET 62 -12.929 7.568 4.347 514 H TYR 63 H TYR 63 -10.319 3.771 -0.132 515 HA TYR 63 HA TYR 63 -12.617 5.219 -1.287 516 1HB TYR 63 2HB TYR 63 -9.843 4.557 -2.283 517 2HB TYR 63 1HB TYR 63 -11.068 5.272 -3.334 518 HD1 TYR 63 HD2 TYR 63 -12.385 7.322 -2.216 519 HD2 TYR 63 HD1 TYR 63 -8.439 6.022 -1.118 520 HE1 TYR 63 HE2 TYR 63 -11.918 9.557 -1.250 521 HE2 TYR 63 HE1 TYR 63 -7.974 8.258 -0.149 522 HH TYR 63 HH TYR 63 -8.728 10.493 -0.218 523 H GLY 64 H GLY 64 -10.907 2.123 -1.780 524 1HA GLY 64 2HA GLY 64 -13.020 0.493 -2.357 525 2HA GLY 64 1HA GLY 64 -12.784 1.326 -3.893 526 H TRP 65 H TRP 65 -9.818 1.501 -3.376 527 HA TRP 65 HA TRP 65 -8.995 -0.826 -4.786 528 1HB TRP 65 2HB TRP 65 -7.470 1.134 -3.058 529 2HB TRP 65 1HB TRP 65 -6.672 -0.187 -3.911 530 HD1 TRP 65 HD1 TRP 65 -8.364 3.154 -4.457 531 HE1 TRP 65 HE1 TRP 65 -8.035 3.883 -6.908 532 HE3 TRP 65 HE3 TRP 65 -6.363 -1.129 -6.393 533 HZ2 TRP 65 HZ2 TRP 65 -7.055 2.795 -9.364 534 HZ3 TRP 65 HZ3 TRP 65 -5.743 -1.256 -8.789 535 HH2 TRP 65 HH2 TRP 65 -6.084 0.700 -10.275 536 H HIS 66 H HIS 66 -8.772 -2.896 -4.086 537 HA HIS 66 HA HIS 66 -8.924 -3.444 -1.182 538 1HB HIS 66 2HB HIS 66 -9.107 -5.185 -3.649 539 2HB HIS 66 1HB HIS 66 -9.051 -5.857 -2.020 540 HD1 HIS 66 HD1 HIS 66 -11.058 -5.239 -0.409 541 HD2 HIS 66 HD2 HIS 66 -11.576 -4.043 -4.369 542 HE1 HIS 66 HE1 HIS 66 -13.511 -4.660 -0.667 543 H LYS 67 H LYS 67 -7.508 -5.642 -0.742 544 HA LYS 67 HA LYS 67 -4.700 -4.821 -1.337 545 1HB LYS 67 2HB LYS 67 -5.952 -5.437 1.073 546 2HB LYS 67 1HB LYS 67 -5.079 -6.919 0.686 547 1HG LYS 67 2HG LYS 67 -3.006 -5.584 0.358 548 2HG LYS 67 1HG LYS 67 -3.892 -4.129 0.816 549 1HD LYS 67 2HD LYS 67 -3.352 -4.584 2.959 550 2HD LYS 67 1HD LYS 67 -4.457 -5.952 2.871 551 1HE LYS 67 2HE LYS 67 -1.866 -6.558 1.655 552 2HE LYS 67 1HE LYS 67 -1.715 -6.088 3.346 553 1HZ LYS 67 2HZ LYS 67 -3.727 -7.695 3.623 554 2HZ LYS 67 1HZ LYS 67 -3.148 -8.363 2.172 555 3HZ LYS 67 3HZ LYS 67 -2.145 -8.309 3.538 556 H VAL 68 H VAL 68 -6.856 -7.640 -1.195 557 HA VAL 68 HA VAL 68 -5.484 -8.896 -3.447 558 HB VAL 68 HB VAL 68 -5.120 -11.054 -2.063 559 1HG1 VAL 68 2HG1 VAL 68 -3.386 -9.309 -2.947 560 2HG1 VAL 68 1HG1 VAL 68 -3.242 -8.855 -1.248 561 3HG1 VAL 68 3HG1 VAL 68 -2.872 -10.503 -1.754 562 1HG2 VAL 68 2HG2 VAL 68 -6.349 -9.981 -0.050 563 2HG2 VAL 68 1HG2 VAL 68 -4.865 -10.873 0.284 564 3HG2 VAL 68 3HG2 VAL 68 -4.841 -9.111 0.233 565 H GLN 69 H GLN 69 -6.506 -11.328 -3.549 566 HA GLN 69 HA GLN 69 -9.354 -10.925 -3.820 567 1HB GLN 69 2HB GLN 69 -7.760 -13.509 -3.846 568 2HB GLN 69 1HB GLN 69 -9.416 -13.313 -4.424 569 1HG GLN 69 2HG GLN 69 -8.367 -11.411 -5.908 570 2HG GLN 69 1HG GLN 69 -6.861 -12.283 -5.618 571 1HE2 GLN 69 2HE2 GLN 69 -7.627 -14.715 -8.032 572 2HE2 GLN 69 1HE2 GLN 69 -6.446 -13.885 -7.140 573 H ASP 70 H ASP 70 -7.336 -12.753 -1.523 574 HA ASP 70 HA ASP 70 -7.804 -13.541 0.634 575 1HB ASP 70 2HB ASP 70 -8.654 -11.044 0.702 576 2HB ASP 70 1HB ASP 70 -10.246 -11.800 0.745 577 H VAL 71 H VAL 71 -8.408 -15.625 -0.260 578 HA VAL 71 HA VAL 71 -11.239 -16.256 0.265 579 HB VAL 71 HB VAL 71 -11.354 -17.594 -1.900 580 1HG1 VAL 71 2HG1 VAL 71 -12.505 -15.409 -1.461 581 2HG1 VAL 71 1HG1 VAL 71 -11.130 -14.585 -2.192 582 3HG1 VAL 71 3HG1 VAL 71 -12.123 -15.674 -3.161 583 1HG2 VAL 71 3HG2 VAL 71 -8.708 -16.319 -2.198 584 2HG2 VAL 71 2HG2 VAL 71 -9.380 -17.722 -3.023 585 3HG2 VAL 71 1HG2 VAL 71 -9.761 -16.100 -3.594 586 H LYS 72 H LYS 72 -8.067 -17.557 -0.772 587 HA LYS 72 HA LYS 72 -8.397 -19.683 1.263 588 1HB LYS 72 2HB LYS 72 -9.170 -20.334 -1.203 589 2HB LYS 72 1HB LYS 72 -7.438 -20.584 -1.416 590 1HG LYS 72 2HG LYS 72 -8.462 -21.711 1.099 591 2HG LYS 72 1HG LYS 72 -9.198 -22.429 -0.332 592 1HD LYS 72 2HD LYS 72 -6.665 -22.456 -1.173 593 2HD LYS 72 1HD LYS 72 -6.349 -22.483 0.563 594 1HE LYS 72 2HE LYS 72 -8.315 -24.348 0.417 595 2HE LYS 72 1HE LYS 72 -7.571 -24.559 -1.169 596 1HZ LYS 72 2HZ LYS 72 -5.385 -24.519 0.171 597 2HZ LYS 72 1HZ LYS 72 -6.375 -24.900 1.499 598 3HZ LYS 72 3HZ LYS 72 -6.319 -25.939 0.159 599 H SER 73 H SER 73 -6.523 -17.272 0.415 600 HA SER 73 HA SER 73 -3.946 -18.718 0.315 601 1HB SER 73 2HB SER 73 -4.193 -16.793 -1.171 602 2HB SER 73 1HB SER 73 -4.607 -15.756 0.191 603 HG SER 73 HG SER 73 -2.231 -16.220 -0.752 604 H GLY 74 H GLY 74 -3.824 -15.715 2.074 605 1HA GLY 74 2HA GLY 74 -3.216 -15.289 4.290 606 2HA GLY 74 1HA GLY 74 -4.462 -16.466 4.693 607 H SER 75 H SER 75 -1.142 -16.559 3.314 608 HA SER 75 HA SER 75 -0.320 -18.379 5.484 609 1HB SER 75 2HB SER 75 0.369 -20.178 4.020 610 2HB SER 75 1HB SER 75 -1.328 -19.836 3.692 611 HG SER 75 HG SER 75 0.812 -19.673 2.056 612 H MET 76 H MET 76 0.921 -16.298 5.755 613 HA MET 76 HA MET 76 3.369 -16.325 4.033 614 1HB MET 76 2HB MET 76 3.547 -13.871 4.538 615 2HB MET 76 1HB MET 76 2.127 -14.286 3.578 616 1HG MET 76 2HG MET 76 0.708 -14.218 5.553 617 2HG MET 76 1HG MET 76 2.111 -13.970 6.594 618 1HE MET 76 2HE MET 76 -0.162 -12.268 6.994 619 2HE MET 76 1HE MET 76 -0.296 -10.718 6.167 620 3HE MET 76 3HE MET 76 -0.818 -12.204 5.362 621 H LEU 77 H LEU 77 3.128 -17.923 6.303 622 HA LEU 77 HA LEU 77 4.327 -16.543 8.598 623 1HB LEU 77 2HB LEU 77 3.983 -19.521 8.144 624 2HB LEU 77 1HB LEU 77 4.252 -18.708 9.684 625 HG LEU 77 HG LEU 77 2.005 -17.415 8.618 626 1HD1 LEU 77 2HD1 LEU 77 1.968 -19.383 6.976 627 2HD1 LEU 77 1HD1 LEU 77 1.585 -20.399 8.364 628 3HD1 LEU 77 3HD1 LEU 77 0.486 -19.105 7.890 629 1HD2 LEU 77 2HD2 LEU 77 2.509 -18.139 10.993 630 2HD2 LEU 77 1HD2 LEU 77 0.845 -18.417 10.482 631 3HD2 LEU 77 3HD2 LEU 77 1.985 -19.761 10.539 632 H SER 78 H SER 78 6.371 -15.812 7.964 633 HA SER 78 HA SER 78 8.660 -15.950 7.480 634 1HB SER 78 2HB SER 78 8.011 -18.626 8.656 635 2HB SER 78 1HB SER 78 9.587 -18.403 7.903 636 HG SER 78 HG SER 78 9.631 -17.843 10.110 637 H ASN 79 H ASN 79 8.082 -15.602 5.190 638 HA ASN 79 HA ASN 79 8.975 -17.888 3.535 639 1HB ASN 79 2HB ASN 79 6.231 -17.063 3.722 640 2HB ASN 79 1HB ASN 79 6.821 -16.644 2.115 641 1HD2 ASN 79 2HD2 ASN 79 7.817 -20.224 1.615 642 2HD2 ASN 79 1HD2 ASN 79 8.663 -18.754 1.669 643 H ASN 80 H ASN 80 9.958 -17.210 1.578 644 HA ASN 80 HA ASN 80 10.910 -14.439 1.598 645 1HB ASN 80 2HB ASN 80 11.423 -16.709 -0.351 646 2HB ASN 80 1HB ASN 80 12.273 -15.164 -0.345 647 1HD2 ASN 80 2HD2 ASN 80 14.202 -17.724 1.673 648 2HD2 ASN 80 1HD2 ASN 80 13.584 -17.736 0.092 649 H ASP 81 H ASP 81 9.615 -12.874 0.759 650 HA ASP 81 HA ASP 81 8.871 -12.740 -1.947 651 1HB ASP 81 2HB ASP 81 6.310 -12.986 -1.625 652 2HB ASP 81 1HB ASP 81 7.266 -14.456 -1.779 653 H SER 82 H SER 82 9.425 -10.577 -1.746 654 HA SER 82 HA SER 82 7.849 -8.916 0.172 655 1HB SER 82 2HB SER 82 10.450 -8.847 0.022 656 2HB SER 82 1HB SER 82 10.184 -7.924 -1.455 657 HG SER 82 HG SER 82 9.332 -7.328 1.183 658 H ARG 83 H ARG 83 6.478 -9.859 -2.071 659 HA ARG 83 HA ARG 83 6.292 -7.419 -3.794 660 1HB ARG 83 2HB ARG 83 5.273 -8.953 -5.497 661 2HB ARG 83 1HB ARG 83 6.946 -9.355 -5.108 662 1HG ARG 83 2HG ARG 83 6.239 -11.139 -3.627 663 2HG ARG 83 1HG ARG 83 4.547 -10.674 -3.807 664 1HD ARG 83 2HD ARG 83 4.343 -11.761 -5.786 665 2HD ARG 83 1HD ARG 83 5.897 -11.168 -6.373 666 HE ARG 83 HE ARG 83 6.398 -13.127 -4.368 667 1HH1 ARG 83 2HH1 ARG 83 4.046 -13.758 -6.530 668 2HH1 ARG 83 1HH1 ARG 83 4.910 -14.928 -7.470 669 1HH2 ARG 83 1HH2 ARG 83 7.977 -14.232 -6.011 670 2HH2 ARG 83 2HH2 ARG 83 7.133 -15.196 -7.177 671 H TRP 84 H TRP 84 4.281 -6.490 -4.061 672 HA TRP 84 HA TRP 84 2.029 -7.677 -2.490 673 1HB TRP 84 2HB TRP 84 2.770 -4.767 -2.940 674 2HB TRP 84 1HB TRP 84 1.253 -5.292 -2.208 675 HD1 TRP 84 HD1 TRP 84 5.008 -6.106 -1.657 676 HE1 TRP 84 HE1 TRP 84 5.447 -6.168 0.883 677 HE3 TRP 84 HE3 TRP 84 0.312 -5.090 0.078 678 HZ2 TRP 84 HZ2 TRP 84 3.997 -5.832 3.329 679 HZ3 TRP 84 HZ3 TRP 84 -0.131 -4.965 2.512 680 HH2 TRP 84 HH2 TRP 84 1.704 -5.335 4.139 681 H GLU 85 H GLU 85 -0.089 -7.421 -3.453 682 HA GLU 85 HA GLU 85 -0.112 -6.485 -6.282 683 1HB GLU 85 2HB GLU 85 -1.422 -8.504 -6.926 684 2HB GLU 85 1HB GLU 85 0.210 -8.906 -6.393 685 1HG GLU 85 2HG GLU 85 -0.963 -9.121 -4.027 686 2HG GLU 85 1HG GLU 85 -2.405 -9.383 -5.009 687 H PHE 86 H PHE 86 -1.567 -4.853 -6.185 688 HA PHE 86 HA PHE 86 -3.935 -5.092 -4.412 689 1HB PHE 86 2HB PHE 86 -2.704 -2.803 -5.959 690 2HB PHE 86 1HB PHE 86 -4.275 -2.668 -5.171 691 HD1 PHE 86 HD2 PHE 86 -0.830 -3.953 -4.365 692 HD2 PHE 86 HD1 PHE 86 -4.290 -1.787 -3.025 693 HE1 PHE 86 HE2 PHE 86 0.293 -3.497 -2.204 694 HE2 PHE 86 HE1 PHE 86 -3.164 -1.328 -0.863 695 HZ PHE 86 HZ PHE 86 -0.873 -2.184 -0.453 696 H GLU 87 H GLU 87 -5.978 -5.370 -5.205 697 HA GLU 87 HA GLU 87 -6.321 -5.376 -8.179 698 1HB GLU 87 2HB GLU 87 -6.526 -7.586 -6.725 699 2HB GLU 87 1HB GLU 87 -8.128 -6.939 -6.366 700 1HG GLU 87 2HG GLU 87 -8.846 -7.119 -8.562 701 2HG GLU 87 1HG GLU 87 -7.215 -6.976 -9.217 702 H ASN 88 H ASN 88 -8.831 -5.123 -8.664 703 HA ASN 88 HA ASN 88 -9.977 -3.084 -6.805 704 1HB ASN 88 2HB ASN 88 -10.722 -1.782 -8.790 705 2HB ASN 88 1HB ASN 88 -8.965 -1.881 -8.682 706 1HD2 ASN 88 2HD2 ASN 88 -10.722 -3.189 -12.010 707 2HD2 ASN 88 1HD2 ASN 88 -11.466 -2.168 -10.876 708 H GLU 89 H GLU 89 -12.372 -2.690 -7.407 709 HA GLU 89 HA GLU 89 -13.681 -5.078 -8.581 710 1HB GLU 89 2HB GLU 89 -14.005 -4.120 -5.734 711 2HB GLU 89 1HB GLU 89 -15.264 -5.053 -6.545 712 1HG GLU 89 2HG GLU 89 -12.380 -5.955 -6.315 713 2HG GLU 89 1HG GLU 89 -13.663 -6.467 -5.217 714 H ARG 90 H ARG 90 -14.384 -2.049 -6.813 715 HA ARG 90 HA ARG 90 -15.780 -0.261 -7.341 716 1HB ARG 90 2HB ARG 90 -14.537 -0.384 -9.532 717 2HB ARG 90 1HB ARG 90 -15.847 -1.373 -10.162 718 1HG ARG 90 2HG ARG 90 -16.624 0.707 -10.793 719 2HG ARG 90 1HG ARG 90 -17.320 0.631 -9.174 720 1HD ARG 90 2HD ARG 90 -16.230 2.748 -9.294 721 2HD ARG 90 1HD ARG 90 -15.152 1.718 -8.350 722 HE ARG 90 HE ARG 90 -13.869 1.389 -10.531 723 1HH1 ARG 90 2HH1 ARG 90 -14.682 4.319 -9.231 724 2HH1 ARG 90 1HH1 ARG 90 -14.414 5.254 -10.664 725 1HH2 ARG 90 1HH2 ARG 90 -14.055 2.488 -12.720 726 2HH2 ARG 90 2HH2 ARG 90 -14.060 4.218 -12.640 727 H HIS 91 H HIS 91 -17.336 -2.400 -9.742 728 HA HIS 91 HA HIS 91 -19.659 -2.578 -7.874 729 1HB HIS 91 2HB HIS 91 -19.479 -1.565 -10.606 730 2HB HIS 91 1HB HIS 91 -20.649 -2.878 -10.493 731 HD1 HIS 91 HD1 HIS 91 -22.428 -2.584 -8.407 732 HD2 HIS 91 HD2 HIS 91 -20.486 0.857 -9.734 733 HE1 HIS 91 HE1 HIS 91 -23.778 -0.624 -7.544 734 H ALA 92 HN ALA 92 -18.423 -4.612 -7.272 735 HA ALA 92 HA ALA 92 -19.676 -6.912 -8.420 736 1HB ALA 92 2HB ALA 92 -16.892 -6.253 -9.374 737 2HB ALA 92 1HB ALA 92 -17.440 -7.927 -9.275 738 3HB ALA 92 3HB ALA 92 -18.285 -6.782 -10.318 No H/Q in entry = 738 Start of MODEL 13 Raw file had 756 H/Q atoms Start of MODEL 13 1 1H ALA 1 1H ALA 1 -17.006 13.632 -8.782 2 2H ALA 1 3H ALA 1 -16.688 11.969 -8.881 3 3H ALA 1 2H ALA 1 -18.142 12.513 -8.193 4 HA ALA 1 HA ALA 1 -17.010 13.455 -6.332 5 1HB ALA 1 2HB ALA 1 -17.455 10.892 -6.558 6 2HB ALA 1 1HB ALA 1 -15.704 10.770 -6.737 7 3HB ALA 1 3HB ALA 1 -16.394 11.453 -5.265 8 H ARG 2 H ARG 2 -14.929 13.786 -5.217 9 HA ARG 2 HA ARG 2 -12.510 13.637 -6.916 10 1HB ARG 2 2HB ARG 2 -11.984 16.045 -6.416 11 2HB ARG 2 1HB ARG 2 -13.370 15.830 -7.483 12 1HG ARG 2 2HG ARG 2 -14.556 15.776 -4.992 13 2HG ARG 2 1HG ARG 2 -13.253 16.939 -4.755 14 1HD ARG 2 2HD ARG 2 -14.046 18.349 -6.492 15 2HD ARG 2 1HD ARG 2 -15.100 17.092 -7.140 16 HE ARG 2 HE ARG 2 -16.703 17.637 -5.474 17 1HH1 ARG 2 1HH2 ARG 2 -15.756 17.664 -2.920 18 2HH1 ARG 2 2HH2 ARG 2 -15.400 19.310 -2.512 19 1HH2 ARG 2 2HH1 ARG 2 -15.320 20.385 -5.808 20 2HH2 ARG 2 1HH1 ARG 2 -15.153 20.851 -4.148 21 HA PRO 3 HA PRO 3 -11.412 13.039 -2.602 22 1HB PRO 3 2HB PRO 3 -10.109 10.633 -2.835 23 2HB PRO 3 1HB PRO 3 -11.857 10.784 -2.592 24 1HG PRO 3 2HG PRO 3 -10.363 10.065 -5.058 25 2HG PRO 3 1HG PRO 3 -12.016 9.646 -4.584 26 1HD PRO 3 2HD PRO 3 -11.279 11.652 -6.430 27 2HD PRO 3 1HD PRO 3 -12.883 11.435 -5.704 28 H ALA 4 H ALA 4 -9.559 13.887 -1.759 29 HA ALA 4 HA ALA 4 -7.425 14.822 -3.385 30 1HB ALA 4 1HB ALA 4 -7.841 14.514 -0.433 31 2HB ALA 4 3HB ALA 4 -6.249 14.972 -1.042 32 3HB ALA 4 2HB ALA 4 -7.650 15.986 -1.387 33 H PHE 5 H PHE 5 -7.587 11.954 -1.261 34 HA PHE 5 HA PHE 5 -4.908 11.109 -1.506 35 1HB PHE 5 2HB PHE 5 -6.567 10.076 0.027 36 2HB PHE 5 1HB PHE 5 -7.366 9.340 -1.363 37 HD1 PHE 5 HD2 PHE 5 -4.050 9.546 0.371 38 HD2 PHE 5 HD1 PHE 5 -6.626 7.280 -2.214 39 HE1 PHE 5 HE2 PHE 5 -2.443 7.657 0.424 40 HE2 PHE 5 HE1 PHE 5 -5.018 5.393 -2.163 41 HZ PHE 5 HZ PHE 5 -2.928 5.582 -0.842 42 H VAL 6 H VAL 6 -7.679 10.157 -3.598 43 HA VAL 6 HA VAL 6 -6.064 8.582 -5.371 44 HB VAL 6 HB VAL 6 -8.652 9.997 -6.070 45 1HG1 VAL 6 3HG1 VAL 6 -7.131 8.851 -7.848 46 2HG1 VAL 6 2HG1 VAL 6 -7.636 7.343 -7.088 47 3HG1 VAL 6 1HG1 VAL 6 -8.837 8.409 -7.811 48 1HG2 VAL 6 2HG2 VAL 6 -8.167 7.291 -4.772 49 2HG2 VAL 6 1HG2 VAL 6 -8.923 8.684 -4.001 50 3HG2 VAL 6 3HG2 VAL 6 -9.730 7.873 -5.340 51 H ASN 7 H ASN 7 -6.666 12.036 -5.161 52 HA ASN 7 HA ASN 7 -5.815 12.707 -7.828 53 1HB ASN 7 2HB ASN 7 -5.992 14.233 -5.241 54 2HB ASN 7 1HB ASN 7 -5.189 14.954 -6.638 55 1HD2 ASN 7 1HD2 ASN 7 -8.194 14.766 -5.172 56 2HD2 ASN 7 2HD2 ASN 7 -9.174 15.041 -6.528 57 H LYS 8 H LYS 8 -4.115 12.028 -4.828 58 HA LYS 8 HA LYS 8 -1.487 12.785 -5.897 59 1HB LYS 8 2HB LYS 8 -2.020 10.982 -3.519 60 2HB LYS 8 1HB LYS 8 -0.588 11.958 -3.833 61 1HG LYS 8 2HG LYS 8 -1.719 13.980 -3.342 62 2HG LYS 8 1HG LYS 8 -3.307 13.225 -3.471 63 1HD LYS 8 2HD LYS 8 -3.031 12.038 -1.425 64 2HD LYS 8 1HD LYS 8 -1.297 12.360 -1.385 65 1HE LYS 8 2HE LYS 8 -2.323 14.907 -1.475 66 2HE LYS 8 1HE LYS 8 -3.543 14.064 -0.521 67 1HZ LYS 8 1HZ LYS 8 -1.464 13.112 0.686 68 2HZ LYS 8 3HZ LYS 8 -0.696 14.489 0.060 69 3HZ LYS 8 2HZ LYS 8 -2.043 14.661 1.081 70 H LEU 9 H LEU 9 -3.514 9.944 -5.713 71 HA LEU 9 HA LEU 9 -1.651 7.871 -6.165 72 1HB LEU 9 2HB LEU 9 -4.033 7.529 -5.591 73 2HB LEU 9 1HB LEU 9 -4.501 8.142 -7.173 74 HG LEU 9 HG LEU 9 -2.950 6.253 -8.096 75 1HD1 LEU 9 2HD1 LEU 9 -3.412 5.434 -5.225 76 2HD1 LEU 9 1HD1 LEU 9 -3.068 4.255 -6.491 77 3HD1 LEU 9 3HD1 LEU 9 -1.885 5.505 -6.104 78 1HD2 LEU 9 1HD2 LEU 9 -5.518 6.463 -8.102 79 2HD2 LEU 9 3HD2 LEU 9 -4.851 4.840 -8.276 80 3HD2 LEU 9 2HD2 LEU 9 -5.490 5.369 -6.720 81 H TRP 10 H TRP 10 -3.658 9.533 -8.625 82 HA TRP 10 HA TRP 10 -2.621 8.345 -10.914 83 1HB TRP 10 2HB TRP 10 -3.701 11.101 -10.391 84 2HB TRP 10 1HB TRP 10 -3.137 10.650 -12.001 85 HD1 TRP 10 HD1 TRP 10 -4.199 8.104 -12.804 86 HE1 TRP 10 HE1 TRP 10 -6.673 7.384 -12.672 87 HE3 TRP 10 HE3 TRP 10 -5.903 11.404 -9.310 88 HZ2 TRP 10 HZ2 TRP 10 -9.059 8.115 -11.284 89 HZ3 TRP 10 HZ3 TRP 10 -8.273 11.366 -8.596 90 HH2 TRP 10 HH2 TRP 10 -9.856 9.732 -9.579 91 H SER 11 H SER 11 -0.951 10.654 -8.882 92 HA SER 11 HA SER 11 1.040 11.225 -10.998 93 1HB SER 11 2HB SER 11 1.392 12.130 -8.170 94 2HB SER 11 1HB SER 11 1.772 12.971 -9.670 95 HG SER 11 HG SER 11 -0.060 13.885 -8.753 96 H MET 12 H MET 12 0.754 9.341 -8.029 97 HA MET 12 HA MET 12 3.595 8.753 -7.819 98 1HB MET 12 2HB MET 12 1.084 7.770 -6.517 99 2HB MET 12 1HB MET 12 2.556 6.815 -6.351 100 1HG MET 12 2HG MET 12 3.424 9.411 -5.851 101 2HG MET 12 1HG MET 12 1.833 9.365 -5.095 102 1HE MET 12 3HE MET 12 1.094 7.027 -4.175 103 2HE MET 12 2HE MET 12 2.256 5.743 -4.498 104 3HE MET 12 1HE MET 12 1.979 6.271 -2.842 105 H VAL 13 H VAL 13 0.777 6.842 -8.864 106 HA VAL 13 HA VAL 13 2.403 4.596 -9.696 107 HB VAL 13 HB VAL 13 -0.406 4.972 -10.690 108 1HG1 VAL 13 2HG1 VAL 13 1.473 2.762 -9.984 109 2HG1 VAL 13 1HG1 VAL 13 -0.254 2.470 -9.774 110 3HG1 VAL 13 3HG1 VAL 13 0.379 2.912 -11.360 111 1HG2 VAL 13 3HG2 VAL 13 0.461 4.590 -7.826 112 2HG2 VAL 13 2HG2 VAL 13 -0.837 5.598 -8.463 113 3HG2 VAL 13 1HG2 VAL 13 -1.031 3.847 -8.404 114 H ASN 14 H ASN 14 2.102 7.576 -11.156 115 HA ASN 14 HA ASN 14 1.548 7.062 -13.872 116 1HB ASN 14 2HB ASN 14 2.147 9.300 -12.675 117 2HB ASN 14 1HB ASN 14 3.817 8.872 -13.061 118 1HD2 ASN 14 2HD2 ASN 14 1.634 10.550 -15.922 119 2HD2 ASN 14 1HD2 ASN 14 1.289 10.648 -14.262 120 H ASP 15 H ASP 15 4.393 6.318 -11.972 121 HA ASP 15 HA ASP 15 6.079 4.774 -12.370 122 1HB ASP 15 2HB ASP 15 5.796 3.141 -13.922 123 2HB ASP 15 1HB ASP 15 4.207 3.865 -14.107 124 H LYS 16 H LYS 16 5.575 7.317 -14.812 125 HA LYS 16 HA LYS 16 8.140 7.350 -15.961 126 1HB LYS 16 2HB LYS 16 7.728 9.746 -16.423 127 2HB LYS 16 1HB LYS 16 6.303 8.768 -16.769 128 1HG LYS 16 2HG LYS 16 5.088 9.689 -15.061 129 2HG LYS 16 1HG LYS 16 6.489 9.843 -14.005 130 1HD LYS 16 2HD LYS 16 6.075 12.076 -14.512 131 2HD LYS 16 1HD LYS 16 7.246 11.658 -15.763 132 1HE LYS 16 2HE LYS 16 5.738 12.182 -17.347 133 2HE LYS 16 1HE LYS 16 4.646 10.946 -16.727 134 1HZ LYS 16 3HZ LYS 16 4.873 13.642 -15.520 135 2HZ LYS 16 2HZ LYS 16 3.759 13.275 -16.749 136 3HZ LYS 16 1HZ LYS 16 3.668 12.480 -15.250 137 H SER 17 H SER 17 7.183 8.294 -12.741 138 HA SER 17 HA SER 17 9.807 9.618 -12.284 139 1HB SER 17 2HB SER 17 7.176 9.583 -10.869 140 2HB SER 17 1HB SER 17 8.625 9.822 -9.894 141 HG SER 17 HG SER 17 7.497 11.422 -11.889 142 H ASN 18 H ASN 18 7.925 6.786 -11.399 143 HA ASN 18 HA ASN 18 10.326 5.704 -9.968 144 1HB ASN 18 2HB ASN 18 7.482 4.836 -9.407 145 2HB ASN 18 1HB ASN 18 8.917 4.586 -8.420 146 1HD2 ASN 18 2HD2 ASN 18 6.706 7.848 -7.761 147 2HD2 ASN 18 1HD2 ASN 18 6.173 6.528 -8.686 148 H GLU 19 H GLU 19 10.326 5.380 -12.599 149 HA GLU 19 HA GLU 19 8.820 3.338 -13.810 150 1HB GLU 19 2HB GLU 19 11.689 4.177 -14.293 151 2HB GLU 19 1HB GLU 19 10.771 3.124 -15.369 152 1HG GLU 19 2HG GLU 19 9.038 4.946 -15.540 153 2HG GLU 19 1HG GLU 19 10.137 5.995 -14.644 154 H LYS 20 H LYS 20 11.438 3.016 -11.499 155 HA LYS 20 HA LYS 20 11.442 0.068 -12.021 156 1HB LYS 20 2HB LYS 20 13.672 0.044 -10.947 157 2HB LYS 20 1HB LYS 20 13.637 1.108 -12.351 158 1HG LYS 20 2HG LYS 20 12.851 2.641 -10.052 159 2HG LYS 20 1HG LYS 20 14.324 1.764 -9.649 160 1HD LYS 20 2HD LYS 20 15.485 3.332 -10.774 161 2HD LYS 20 1HD LYS 20 14.752 2.734 -12.261 162 1HE LYS 20 2HE LYS 20 12.890 4.289 -12.020 163 2HE LYS 20 1HE LYS 20 13.501 4.826 -10.456 164 1HZ LYS 20 3HZ LYS 20 15.597 5.438 -11.706 165 2HZ LYS 20 2HZ LYS 20 14.693 5.245 -13.132 166 3HZ LYS 20 1HZ LYS 20 14.237 6.414 -11.985 167 H PHE 21 H PHE 21 9.376 1.215 -10.439 168 HA PHE 21 HA PHE 21 9.958 -0.146 -7.864 169 1HB PHE 21 2HB PHE 21 9.095 2.720 -8.176 170 2HB PHE 21 1HB PHE 21 8.751 1.815 -6.709 171 HD1 PHE 21 HD1 PHE 21 10.680 0.752 -5.444 172 HD2 PHE 21 HD2 PHE 21 11.253 3.634 -8.575 173 HE1 PHE 21 HE1 PHE 21 12.977 1.185 -4.626 174 HE2 PHE 21 HE2 PHE 21 13.555 4.067 -7.755 175 HZ PHE 21 HZ PHE 21 14.416 2.841 -5.778 176 H ILE 22 H ILE 22 7.361 1.890 -9.256 177 HA ILE 22 HA ILE 22 5.477 -0.382 -8.759 178 HB ILE 22 HB ILE 22 5.055 1.560 -7.296 179 1HG1 ILE 22 2HG1 ILE 22 2.936 1.493 -9.457 180 2HG1 ILE 22 1HG1 ILE 22 3.164 0.173 -8.308 181 1HG2 ILE 22 3HG2 ILE 22 4.726 3.075 -9.903 182 2HG2 ILE 22 2HG2 ILE 22 4.361 3.714 -8.300 183 3HG2 ILE 22 1HG2 ILE 22 6.022 3.303 -8.728 184 1HD1 ILE 22 1HD1 ILE 22 2.969 2.938 -7.202 185 2HD1 ILE 22 3HD1 ILE 22 1.486 2.198 -7.805 186 3HD1 ILE 22 2HD1 ILE 22 2.404 1.413 -6.519 187 H HIS 23 H HIS 23 4.235 -1.051 -10.483 188 HA HIS 23 HA HIS 23 4.059 0.647 -12.906 189 1HB HIS 23 2HB HIS 23 6.109 -0.994 -12.934 190 2HB HIS 23 1HB HIS 23 4.883 -2.225 -13.239 191 HD1 HIS 23 HD1 HIS 23 3.194 -1.581 -15.329 192 HD2 HIS 23 HD2 HIS 23 6.891 0.339 -15.225 193 HE1 HIS 23 HE1 HIS 23 3.593 -0.677 -17.658 194 H TRP 24 H TRP 24 2.158 0.272 -14.053 195 HA TRP 24 HA TRP 24 -0.022 -1.023 -12.754 196 1HB TRP 24 2HB TRP 24 0.400 -0.152 -15.620 197 2HB TRP 24 1HB TRP 24 -1.122 -0.841 -15.055 198 HD1 TRP 24 HD1 TRP 24 1.247 2.104 -14.277 199 HE1 TRP 24 HE1 TRP 24 -0.163 4.037 -13.318 200 HE3 TRP 24 HE3 TRP 24 -3.322 -0.165 -14.039 201 HZ2 TRP 24 HZ2 TRP 24 -2.869 4.554 -12.552 202 HZ3 TRP 24 HZ3 TRP 24 -5.296 1.069 -13.193 203 HH2 TRP 24 HH2 TRP 24 -5.076 3.425 -12.448 204 H SER 25 H SER 25 -1.294 -2.868 -13.747 205 HA SER 25 HA SER 25 0.347 -5.217 -13.949 206 1HB SER 25 2HB SER 25 -1.927 -5.384 -13.108 207 2HB SER 25 1HB SER 25 -2.573 -4.762 -14.623 208 HG SER 25 HG SER 25 -2.678 -6.839 -15.042 209 H THR 26 H THR 26 -0.643 -2.885 -16.308 210 HA THR 26 HA THR 26 -0.254 -2.755 -18.609 211 HB THR 26 HB THR 26 1.433 -5.239 -18.379 212 HG1 THR 26 HG1 THR 26 2.508 -4.233 -16.899 213 1HG2 THR 26 1HG2 THR 26 1.064 -4.138 -20.591 214 2HG2 THR 26 3HG2 THR 26 1.778 -2.665 -19.936 215 3HG2 THR 26 2HG2 THR 26 2.756 -4.124 -20.091 216 H SER 27 H SER 27 -2.585 -4.072 -17.784 217 HA SER 27 HA SER 27 -3.152 -5.669 -20.152 218 1HB SER 27 2HB SER 27 -2.263 -7.034 -17.811 219 2HB SER 27 1HB SER 27 -3.984 -7.364 -17.984 220 HG SER 27 HG SER 27 -1.844 -8.083 -19.582 221 H GLY 28 H GLY 28 -4.437 -5.392 -16.818 222 1HA GLY 28 2HA GLY 28 -6.988 -4.387 -18.021 223 2HA GLY 28 1HA GLY 28 -6.948 -5.439 -16.604 224 H GLU 29 H GLU 29 -6.152 -4.559 -14.595 225 HA GLU 29 HA GLU 29 -5.307 -1.807 -14.345 226 1HB GLU 29 2HB GLU 29 -7.363 -1.041 -13.088 227 2HB GLU 29 1HB GLU 29 -7.605 -1.252 -14.819 228 1HG GLU 29 2HG GLU 29 -8.101 -3.728 -13.344 229 2HG GLU 29 1HG GLU 29 -9.130 -2.415 -12.781 230 H SER 30 H SER 30 -3.739 -2.653 -12.940 231 HA SER 30 HA SER 30 -4.628 -3.131 -10.195 232 1HB SER 30 2HB SER 30 -2.897 -5.321 -11.257 233 2HB SER 30 1HB SER 30 -4.066 -5.355 -9.942 234 HG SER 30 HG SER 30 -4.597 -6.414 -12.062 235 H ILE 31 H ILE 31 -2.890 -2.890 -8.701 236 HA ILE 31 HA ILE 31 -0.486 -1.607 -9.887 237 HB ILE 31 HB ILE 31 -1.383 -1.721 -6.986 238 1HG1 ILE 31 2HG1 ILE 31 -1.612 0.642 -8.855 239 2HG1 ILE 31 1HG1 ILE 31 -2.911 -0.546 -8.719 240 1HG2 ILE 31 1HG2 ILE 31 0.894 -0.482 -8.464 241 2HG2 ILE 31 3HG2 ILE 31 0.138 0.492 -7.203 242 3HG2 ILE 31 2HG2 ILE 31 0.824 -1.085 -6.807 243 1HD1 ILE 31 3HD1 ILE 31 -2.476 -0.114 -6.103 244 2HD1 ILE 31 2HD1 ILE 31 -1.952 1.451 -6.725 245 3HD1 ILE 31 1HD1 ILE 31 -3.589 0.878 -7.045 246 H VAL 32 H VAL 32 1.318 -2.842 -10.113 247 HA VAL 32 HA VAL 32 1.587 -5.273 -8.407 248 HB VAL 32 HB VAL 32 3.100 -4.539 -10.932 249 1HG1 VAL 32 1HG1 VAL 32 3.209 -6.773 -8.986 250 2HG1 VAL 32 3HG1 VAL 32 3.216 -7.251 -10.682 251 3HG1 VAL 32 2HG1 VAL 32 4.458 -6.161 -10.068 252 1HG2 VAL 32 2HG2 VAL 32 0.447 -5.126 -10.843 253 2HG2 VAL 32 1HG2 VAL 32 1.493 -5.599 -12.180 254 3HG2 VAL 32 3HG2 VAL 32 1.118 -6.755 -10.902 255 H VAL 33 H VAL 33 3.132 -5.335 -6.866 256 HA VAL 33 HA VAL 33 5.355 -3.336 -6.994 257 HB VAL 33 HB VAL 33 3.853 -4.209 -4.504 258 1HG1 VAL 33 3HG1 VAL 33 6.398 -2.812 -4.973 259 2HG1 VAL 33 2HG1 VAL 33 5.295 -1.911 -3.932 260 3HG1 VAL 33 1HG1 VAL 33 5.777 -3.550 -3.498 261 1HG2 VAL 33 3HG2 VAL 33 2.652 -2.659 -6.157 262 2HG2 VAL 33 2HG2 VAL 33 2.825 -2.055 -4.509 263 3HG2 VAL 33 1HG2 VAL 33 3.896 -1.466 -5.781 264 HA PRO 34 HA PRO 34 7.141 -7.468 -6.512 265 1HB PRO 34 2HB PRO 34 9.490 -6.954 -7.832 266 2HB PRO 34 1HB PRO 34 8.006 -7.476 -8.648 267 1HG PRO 34 2HG PRO 34 9.265 -4.784 -8.590 268 2HG PRO 34 1HG PRO 34 8.195 -5.498 -9.807 269 1HD PRO 34 2HD PRO 34 7.447 -3.624 -7.821 270 2HD PRO 34 1HD PRO 34 6.346 -4.564 -8.848 271 H ASN 35 H ASN 35 8.494 -4.272 -5.933 272 HA ASN 35 HA ASN 35 10.020 -5.404 -3.629 273 1HB ASN 35 2HB ASN 35 10.935 -3.166 -5.464 274 2HB ASN 35 1HB ASN 35 11.808 -3.767 -4.054 275 1HD2 ASN 35 2HD2 ASN 35 12.624 -5.520 -7.464 276 2HD2 ASN 35 1HD2 ASN 35 12.126 -3.912 -7.244 277 H ARG 36 H ARG 36 8.016 -4.759 -2.478 278 HA ARG 36 HA ARG 36 7.214 -1.981 -2.330 279 1HB ARG 36 2HB ARG 36 5.974 -4.245 -1.649 280 2HB ARG 36 1HB ARG 36 6.680 -3.869 -0.078 281 1HG ARG 36 2HG ARG 36 5.653 -1.419 -0.955 282 2HG ARG 36 1HG ARG 36 4.436 -2.596 -1.448 283 1HD ARG 36 2HD ARG 36 4.827 -3.538 0.998 284 2HD ARG 36 1HD ARG 36 5.388 -1.895 1.304 285 HE ARG 36 HE ARG 36 2.648 -2.671 1.011 286 1HH1 ARG 36 1HH2 ARG 36 4.654 -0.040 1.399 287 2HH1 ARG 36 2HH2 ARG 36 3.599 1.114 0.654 288 1HH2 ARG 36 2HH1 ARG 36 1.384 -1.279 -0.529 289 2HH2 ARG 36 1HH1 ARG 36 1.748 0.412 -0.438 290 H GLU 37 H GLU 37 9.694 -3.866 -0.788 291 HA GLU 37 HA GLU 37 9.995 -2.309 1.608 292 1HB GLU 37 2HB GLU 37 10.978 -4.598 1.184 293 2HB GLU 37 1HB GLU 37 12.162 -3.824 0.130 294 1HG GLU 37 2HG GLU 37 13.217 -2.729 1.888 295 2HG GLU 37 1HG GLU 37 11.775 -2.755 2.904 296 H ARG 38 H ARG 38 11.551 -2.100 -1.597 297 HA ARG 38 HA ARG 38 13.142 0.226 -0.792 298 1HB ARG 38 2HB ARG 38 12.664 -1.006 -3.522 299 2HB ARG 38 1HB ARG 38 13.859 0.232 -3.153 300 1HG ARG 38 2HG ARG 38 14.330 -1.770 -1.246 301 2HG ARG 38 1HG ARG 38 14.003 -2.651 -2.736 302 1HD ARG 38 2HD ARG 38 16.005 -2.080 -3.598 303 2HD ARG 38 1HD ARG 38 15.739 -0.374 -3.245 304 HE ARG 38 HE ARG 38 16.405 -1.812 -0.837 305 1HH1 ARG 38 1HH2 ARG 38 17.583 0.777 -1.132 306 2HH1 ARG 38 2HH2 ARG 38 19.207 0.468 -1.648 307 1HH2 ARG 38 1HH1 ARG 38 19.753 -1.554 -2.506 308 2HH2 ARG 38 2HH1 ARG 38 18.547 -2.789 -2.646 309 H PHE 39 H PHE 39 10.178 -0.392 -2.587 310 HA PHE 39 HA PHE 39 9.712 2.040 -3.877 311 1HB PHE 39 2HB PHE 39 8.158 0.258 -4.205 312 2HB PHE 39 1HB PHE 39 7.828 0.123 -2.483 313 HD1 PHE 39 HD1 PHE 39 7.213 2.144 -5.529 314 HD2 PHE 39 HD2 PHE 39 6.278 1.609 -1.374 315 HE1 PHE 39 HE1 PHE 39 5.300 3.701 -5.764 316 HE2 PHE 39 HE2 PHE 39 4.359 3.167 -1.608 317 HZ PHE 39 HZ PHE 39 3.871 4.213 -3.803 318 H VAL 40 H VAL 40 8.506 1.288 -0.581 319 HA VAL 40 HA VAL 40 7.599 3.888 0.042 320 HB VAL 40 HB VAL 40 8.785 1.914 2.011 321 1HG1 VAL 40 3HG1 VAL 40 7.969 4.422 2.520 322 2HG1 VAL 40 2HG1 VAL 40 6.403 3.615 2.570 323 3HG1 VAL 40 1HG1 VAL 40 7.695 3.100 3.654 324 1HG2 VAL 40 2HG2 VAL 40 6.131 2.001 0.581 325 2HG2 VAL 40 1HG2 VAL 40 7.212 0.627 0.813 326 3HG2 VAL 40 3HG2 VAL 40 6.276 1.253 2.170 327 H GLN 41 H GLN 41 10.764 2.425 0.808 328 HA GLN 41 HA GLN 41 11.829 4.721 2.123 329 1HB GLN 41 2HB GLN 41 12.711 2.117 1.480 330 2HB GLN 41 1HB GLN 41 13.903 3.205 0.777 331 1HG GLN 41 2HG GLN 41 14.750 3.701 2.807 332 2HG GLN 41 1HG GLN 41 13.156 4.116 3.434 333 1HE2 GLN 41 2HE2 GLN 41 14.629 0.335 4.035 334 2HE2 GLN 41 1HE2 GLN 41 15.332 1.330 2.854 335 H GLU 42 H GLU 42 11.305 4.199 -1.254 336 HA GLU 42 HA GLU 42 12.898 6.663 -1.792 337 1HB GLU 42 2HB GLU 42 12.918 4.104 -3.410 338 2HB GLU 42 1HB GLU 42 13.596 5.632 -3.974 339 1HG GLU 42 2HG GLU 42 14.413 4.392 -1.342 340 2HG GLU 42 1HG GLU 42 15.236 4.010 -2.855 341 H VAL 43 H VAL 43 9.917 5.990 -1.542 342 HA VAL 43 HA VAL 43 9.125 7.503 -3.946 343 HB VAL 43 HB VAL 43 7.782 4.849 -3.341 344 1HG1 VAL 43 1HG1 VAL 43 7.419 7.023 -5.395 345 2HG1 VAL 43 3HG1 VAL 43 6.923 5.365 -5.740 346 3HG1 VAL 43 2HG1 VAL 43 6.201 6.238 -4.388 347 1HG2 VAL 43 3HG2 VAL 43 9.766 5.620 -5.508 348 2HG2 VAL 43 2HG2 VAL 43 10.027 4.436 -4.229 349 3HG2 VAL 43 1HG2 VAL 43 8.839 4.121 -5.491 350 H LEU 44 H LEU 44 8.101 5.975 -0.882 351 HA LEU 44 HA LEU 44 5.572 7.264 -0.691 352 1HB LEU 44 2HB LEU 44 6.479 5.369 0.768 353 2HB LEU 44 1HB LEU 44 7.306 6.620 1.696 354 HG LEU 44 HG LEU 44 5.092 7.773 1.992 355 1HD1 LEU 44 1HD1 LEU 44 4.167 5.262 0.584 356 2HD1 LEU 44 3HD1 LEU 44 3.089 6.210 1.609 357 3HD1 LEU 44 2HD1 LEU 44 3.805 6.939 0.171 358 1HD2 LEU 44 3HD2 LEU 44 6.156 6.041 3.600 359 2HD2 LEU 44 2HD2 LEU 44 4.446 6.409 3.816 360 3HD2 LEU 44 1HD2 LEU 44 4.931 4.927 2.992 361 HA PRO 45 HA PRO 45 7.655 10.813 1.560 362 1HB PRO 45 2HB PRO 45 10.367 11.187 1.403 363 2HB PRO 45 1HB PRO 45 9.576 10.277 2.702 364 1HG PRO 45 2HG PRO 45 11.125 9.262 0.368 365 2HG PRO 45 1HG PRO 45 10.903 8.539 1.971 366 1HD PRO 45 2HD PRO 45 9.554 7.759 -0.370 367 2HD PRO 45 1HD PRO 45 9.082 7.347 1.287 368 H LYS 46 H LYS 46 8.623 9.820 -1.604 369 HA LYS 46 HA LYS 46 9.605 12.341 -2.588 370 1HB LYS 46 2HB LYS 46 9.552 9.848 -3.616 371 2HB LYS 46 1HB LYS 46 8.166 10.539 -4.460 372 1HG LYS 46 2HG LYS 46 9.909 11.123 -5.893 373 2HG LYS 46 1HG LYS 46 9.789 12.562 -4.885 374 1HD LYS 46 2HD LYS 46 11.509 10.787 -3.499 375 2HD LYS 46 1HD LYS 46 12.015 10.733 -5.186 376 1HE LYS 46 2HE LYS 46 12.487 13.034 -5.250 377 2HE LYS 46 1HE LYS 46 11.483 13.375 -3.840 378 1HZ LYS 46 2HZ LYS 46 13.168 11.814 -2.664 379 2HZ LYS 46 1HZ LYS 46 14.184 12.224 -3.963 380 3HZ LYS 46 3HZ LYS 46 13.579 13.438 -2.946 381 H TYR 47 H TYR 47 6.389 11.054 -2.064 382 HA TYR 47 HA TYR 47 5.256 13.530 -3.310 383 1HB TYR 47 2HB TYR 47 3.964 10.809 -2.942 384 2HB TYR 47 1HB TYR 47 3.173 12.227 -3.631 385 HD1 TYR 47 HD2 TYR 47 6.105 9.955 -4.077 386 HD2 TYR 47 HD1 TYR 47 3.415 12.753 -5.917 387 HE1 TYR 47 HE2 TYR 47 7.060 9.411 -6.302 388 HE2 TYR 47 HE1 TYR 47 4.371 12.209 -8.140 389 HH TYR 47 HH TYR 47 5.586 10.436 -9.232 390 H PHE 48 H PHE 48 4.731 11.147 -0.698 391 HA PHE 48 HA PHE 48 2.938 12.944 0.750 392 1HB PHE 48 2HB PHE 48 4.242 10.311 1.492 393 2HB PHE 48 1HB PHE 48 3.120 11.172 2.540 394 HD1 PHE 48 HD2 PHE 48 3.470 9.501 -0.764 395 HD2 PHE 48 HD1 PHE 48 0.762 11.138 2.143 396 HE1 PHE 48 HE2 PHE 48 1.556 8.502 -1.985 397 HE2 PHE 48 HE1 PHE 48 -1.151 10.136 0.922 398 HZ PHE 48 HZ PHE 48 -0.755 8.819 -1.141 399 H LYS 49 H LYS 49 3.570 13.105 3.269 400 HA LYS 49 HA LYS 49 6.428 13.924 3.509 401 1HB LYS 49 2HB LYS 49 4.003 15.585 4.253 402 2HB LYS 49 1HB LYS 49 5.649 15.964 4.763 403 1HG LYS 49 2HG LYS 49 6.351 16.456 2.585 404 2HG LYS 49 1HG LYS 49 5.051 15.518 1.850 405 1HD LYS 49 2HD LYS 49 4.106 17.574 1.537 406 2HD LYS 49 1HD LYS 49 3.595 17.364 3.212 407 1HE LYS 49 2HE LYS 49 5.358 18.711 4.039 408 2HE LYS 49 1HE LYS 49 6.263 18.599 2.530 409 1HZ LYS 49 2HZ LYS 49 4.184 19.727 1.539 410 2HZ LYS 49 1HZ LYS 49 3.870 20.199 3.142 411 3HZ LYS 49 3HZ LYS 49 5.311 20.674 2.385 412 H HIS 50 H HIS 50 7.184 12.642 5.124 413 HA HIS 50 HA HIS 50 7.317 11.517 7.179 414 1HB HIS 50 2HB HIS 50 5.355 13.705 7.930 415 2HB HIS 50 1HB HIS 50 6.129 12.625 9.088 416 HD1 HIS 50 HD1 HIS 50 6.867 15.453 6.719 417 HD2 HIS 50 HD2 HIS 50 8.884 13.151 9.551 418 HE1 HIS 50 HE1 HIS 50 9.109 16.573 7.090 419 H SER 51 H SER 51 5.460 10.529 5.216 420 HA SER 51 HA SER 51 3.121 9.630 6.811 421 1HB SER 51 2HB SER 51 2.730 10.460 4.509 422 2HB SER 51 1HB SER 51 3.796 9.205 3.883 423 HG SER 51 HG SER 51 1.198 9.062 4.687 424 H ASN 52 H ASN 52 2.586 7.285 6.753 425 HA ASN 52 HA ASN 52 5.053 5.595 6.626 426 1HB ASN 52 2HB ASN 52 3.545 6.154 8.881 427 2HB ASN 52 1HB ASN 52 2.888 4.604 8.356 428 1HD2 ASN 52 2HD2 ASN 52 6.790 4.809 9.624 429 2HD2 ASN 52 1HD2 ASN 52 5.977 6.232 9.185 430 H PHE 53 H PHE 53 4.853 3.618 5.567 431 HA PHE 53 HA PHE 53 2.978 3.260 3.520 432 1HB PHE 53 2HB PHE 53 3.621 0.807 3.640 433 2HB PHE 53 1HB PHE 53 4.965 1.934 3.487 434 HD1 PHE 53 HD2 PHE 53 3.060 -0.181 5.878 435 HD2 PHE 53 HD1 PHE 53 6.609 2.151 5.218 436 HE1 PHE 53 HE2 PHE 53 4.041 -1.079 7.970 437 HE2 PHE 53 HE1 PHE 53 7.589 1.250 7.311 438 HZ PHE 53 HZ PHE 53 6.304 -0.365 8.688 439 H ALA 54 H ALA 54 2.663 2.453 6.904 440 HA ALA 54 HA ALA 54 0.491 0.612 6.753 441 1HB ALA 54 3HB ALA 54 1.858 1.187 8.813 442 2HB ALA 54 2HB ALA 54 0.913 2.672 8.934 443 3HB ALA 54 1HB ALA 54 0.116 1.105 9.079 444 H SER 55 H SER 55 0.440 4.166 7.235 445 HA SER 55 HA SER 55 -2.414 4.416 7.131 446 1HB SER 55 2HB SER 55 -0.107 6.300 6.772 447 2HB SER 55 1HB SER 55 -1.722 6.838 6.323 448 HG SER 55 HG SER 55 -2.387 6.586 8.387 449 H PHE 56 H PHE 56 0.070 4.241 4.664 450 HA PHE 56 HA PHE 56 -1.425 5.181 2.425 451 1HB PHE 56 2HB PHE 56 1.043 4.738 2.461 452 2HB PHE 56 1HB PHE 56 0.696 3.013 2.484 453 HD1 PHE 56 HD2 PHE 56 -0.945 5.792 0.580 454 HD2 PHE 56 HD1 PHE 56 1.358 2.174 0.402 455 HE1 PHE 56 HE2 PHE 56 -1.118 5.804 -1.896 456 HE2 PHE 56 HE1 PHE 56 1.186 2.184 -2.072 457 HZ PHE 56 HZ PHE 56 -0.053 3.999 -3.221 458 H VAL 57 H VAL 57 -1.148 1.987 3.917 459 HA VAL 57 HA VAL 57 -2.740 0.580 1.976 460 HB VAL 57 HB VAL 57 -2.167 -0.045 4.892 461 1HG1 VAL 57 1HG1 VAL 57 -3.911 -1.335 2.951 462 2HG1 VAL 57 3HG1 VAL 57 -2.612 -2.423 3.442 463 3HG1 VAL 57 2HG1 VAL 57 -3.674 -1.712 4.657 464 1HG2 VAL 57 3HG2 VAL 57 -0.857 -0.902 2.294 465 2HG2 VAL 57 2HG2 VAL 57 -0.133 0.074 3.573 466 3HG2 VAL 57 1HG2 VAL 57 -0.503 -1.625 3.862 467 H ARG 58 H ARG 58 -3.495 2.316 4.974 468 HA ARG 58 HA ARG 58 -6.267 1.463 5.048 469 1HB ARG 58 2HB ARG 58 -4.676 2.609 6.880 470 2HB ARG 58 1HB ARG 58 -5.449 4.070 6.264 471 1HG ARG 58 2HG ARG 58 -7.268 1.786 6.802 472 2HG ARG 58 1HG ARG 58 -6.528 2.526 8.221 473 1HD ARG 58 2HD ARG 58 -7.513 4.496 6.278 474 2HD ARG 58 1HD ARG 58 -8.785 3.464 6.931 475 HE ARG 58 HE ARG 58 -6.951 4.630 8.922 476 1HH1 ARG 58 2HH1 ARG 58 -9.760 3.674 9.475 477 2HH1 ARG 58 1HH1 ARG 58 -10.619 5.171 9.620 478 1HH2 ARG 58 1HH2 ARG 58 -8.124 7.056 8.122 479 2HH2 ARG 58 2HH2 ARG 58 -9.695 7.085 8.853 480 H GLN 59 H GLN 59 -4.556 3.916 3.250 481 HA GLN 59 HA GLN 59 -6.919 5.547 2.727 482 1HB GLN 59 2HB GLN 59 -4.163 5.406 1.491 483 2HB GLN 59 1HB GLN 59 -5.428 6.440 0.831 484 1HG GLN 59 2HG GLN 59 -4.436 6.539 3.695 485 2HG GLN 59 1HG GLN 59 -3.963 7.666 2.422 486 1HE2 GLN 59 2HE2 GLN 59 -7.173 8.619 4.467 487 2HE2 GLN 59 1HE2 GLN 59 -5.851 7.714 5.028 488 H LEU 60 H LEU 60 -5.019 3.177 0.855 489 HA LEU 60 HA LEU 60 -6.723 3.124 -1.442 490 1HB LEU 60 2HB LEU 60 -4.943 0.947 -0.303 491 2HB LEU 60 1HB LEU 60 -5.613 0.966 -1.932 492 HG LEU 60 HG LEU 60 -3.982 3.291 -0.933 493 1HD1 LEU 60 1HD1 LEU 60 -3.023 0.608 -1.917 494 2HD1 LEU 60 3HD1 LEU 60 -2.075 2.064 -2.219 495 3HD1 LEU 60 2HD1 LEU 60 -2.423 1.567 -0.564 496 1HD2 LEU 60 3HD2 LEU 60 -5.403 3.174 -3.128 497 2HD2 LEU 60 2HD2 LEU 60 -3.759 3.802 -3.218 498 3HD2 LEU 60 1HD2 LEU 60 -4.098 2.146 -3.718 499 H ASN 61 H ASN 61 -6.813 1.334 1.601 500 HA ASN 61 HA ASN 61 -8.939 -0.417 0.688 501 1HB ASN 61 2HB ASN 61 -8.236 -1.720 2.381 502 2HB ASN 61 1HB ASN 61 -7.009 -0.511 2.712 503 1HD2 ASN 61 2HD2 ASN 61 -9.116 0.991 5.322 504 2HD2 ASN 61 1HD2 ASN 61 -8.374 1.498 3.885 505 H MET 62 H MET 62 -8.814 2.716 2.130 506 HA MET 62 HA MET 62 -11.607 2.549 3.081 507 1HB MET 62 2HB MET 62 -9.709 3.837 4.252 508 2HB MET 62 1HB MET 62 -9.913 5.042 2.979 509 1HG MET 62 2HG MET 62 -12.256 5.346 3.581 510 2HG MET 62 1HG MET 62 -12.145 4.054 4.777 511 1HE MET 62 1HE MET 62 -13.375 6.465 5.707 512 2HE MET 62 3HE MET 62 -12.415 7.813 6.332 513 3HE MET 62 2HE MET 62 -12.601 7.590 4.593 514 H TYR 63 H TYR 63 -10.288 2.945 0.058 515 HA TYR 63 HA TYR 63 -12.433 4.869 -0.739 516 1HB TYR 63 2HB TYR 63 -9.669 4.398 -1.819 517 2HB TYR 63 1HB TYR 63 -10.924 5.072 -2.861 518 HD1 TYR 63 HD2 TYR 63 -12.448 6.899 -1.513 519 HD2 TYR 63 HD1 TYR 63 -8.322 5.985 -0.763 520 HE1 TYR 63 HE2 TYR 63 -12.149 9.125 -0.465 521 HE2 TYR 63 HE1 TYR 63 -8.021 8.210 0.292 522 HH TYR 63 HH TYR 63 -9.827 10.703 -0.128 523 H GLY 64 H GLY 64 -10.715 1.908 -1.821 524 1HA GLY 64 2HA GLY 64 -13.012 0.485 -2.559 525 2HA GLY 64 1HA GLY 64 -12.582 1.427 -3.984 526 H TRP 65 H TRP 65 -9.638 1.204 -3.305 527 HA TRP 65 HA TRP 65 -8.931 -0.976 -4.926 528 1HB TRP 65 2HB TRP 65 -7.382 0.307 -2.660 529 2HB TRP 65 1HB TRP 65 -6.679 -0.836 -3.804 530 HD1 TRP 65 HD1 TRP 65 -7.776 2.749 -3.450 531 HE1 TRP 65 HE1 TRP 65 -7.221 4.040 -5.611 532 HE3 TRP 65 HE3 TRP 65 -6.457 -1.139 -6.489 533 HZ2 TRP 65 HZ2 TRP 65 -6.334 3.498 -8.275 534 HZ3 TRP 65 HZ3 TRP 65 -5.763 -0.723 -8.830 535 HH2 TRP 65 HH2 TRP 65 -5.700 1.587 -9.727 536 H HIS 66 H HIS 66 -9.107 -3.145 -4.632 537 HA HIS 66 HA HIS 66 -9.560 -4.158 -1.868 538 1HB HIS 66 2HB HIS 66 -10.219 -5.217 -4.612 539 2HB HIS 66 1HB HIS 66 -10.255 -6.268 -3.197 540 HD1 HIS 66 HD1 HIS 66 -12.561 -4.528 -5.106 541 HD2 HIS 66 HD2 HIS 66 -11.804 -4.532 -1.007 542 HE1 HIS 66 HE1 HIS 66 -14.664 -3.665 -3.988 543 H LYS 67 H LYS 67 -8.684 -6.416 -1.478 544 HA LYS 67 HA LYS 67 -5.993 -6.814 -2.715 545 1HB LYS 67 2HB LYS 67 -5.753 -5.764 -0.474 546 2HB LYS 67 1HB LYS 67 -6.700 -7.072 0.230 547 1HG LYS 67 2HG LYS 67 -4.675 -8.352 -1.257 548 2HG LYS 67 1HG LYS 67 -3.871 -7.015 -0.441 549 1HD LYS 67 2HD LYS 67 -5.710 -8.961 0.978 550 2HD LYS 67 1HD LYS 67 -3.959 -9.162 0.897 551 1HE LYS 67 2HE LYS 67 -3.547 -7.377 2.300 552 2HE LYS 67 1HE LYS 67 -4.990 -6.506 1.787 553 1HZ LYS 67 1HZ LYS 67 -5.846 -8.852 3.031 554 2HZ LYS 67 3HZ LYS 67 -4.646 -8.182 4.026 555 3HZ LYS 67 2HZ LYS 67 -6.001 -7.256 3.591 556 H VAL 68 H VAL 68 -5.439 -9.024 -3.000 557 HA VAL 68 HA VAL 68 -7.638 -10.951 -2.370 558 HB VAL 68 HB VAL 68 -7.352 -10.555 -4.790 559 1HG1 VAL 68 3HG1 VAL 68 -4.520 -10.877 -4.066 560 2HG1 VAL 68 2HG1 VAL 68 -4.988 -11.794 -5.498 561 3HG1 VAL 68 1HG1 VAL 68 -5.245 -10.051 -5.444 562 1HG2 VAL 68 3HG2 VAL 68 -6.911 -13.173 -3.490 563 2HG2 VAL 68 2HG2 VAL 68 -8.092 -12.709 -4.712 564 3HG2 VAL 68 1HG2 VAL 68 -6.443 -13.114 -5.189 565 H GLN 69 H GLN 69 -6.130 -10.788 -0.271 566 HA GLN 69 HA GLN 69 -4.651 -11.922 1.154 567 1HB GLN 69 2HB GLN 69 -5.569 -13.931 -0.834 568 2HB GLN 69 1HB GLN 69 -4.137 -14.363 0.098 569 1HG GLN 69 2HG GLN 69 -5.687 -15.084 1.616 570 2HG GLN 69 1HG GLN 69 -5.692 -13.384 2.085 571 1HE2 GLN 69 2HE2 GLN 69 -9.199 -13.552 1.547 572 2HE2 GLN 69 1HE2 GLN 69 -7.966 -13.436 2.707 573 H ASP 70 H ASP 70 -3.473 -10.182 -0.776 574 HA ASP 70 HA ASP 70 -1.378 -9.636 -1.640 575 1HB ASP 70 2HB ASP 70 -0.761 -11.790 0.350 576 2HB ASP 70 1HB ASP 70 0.520 -11.253 -0.737 577 H VAL 71 H VAL 71 -0.484 -13.077 -1.542 578 HA VAL 71 HA VAL 71 -0.677 -13.064 -4.524 579 HB VAL 71 HB VAL 71 1.101 -14.896 -4.363 580 1HG1 VAL 71 2HG1 VAL 71 1.381 -12.318 -4.793 581 2HG1 VAL 71 1HG1 VAL 71 2.127 -12.327 -3.195 582 3HG1 VAL 71 3HG1 VAL 71 2.807 -13.310 -4.491 583 1HG2 VAL 71 2HG2 VAL 71 0.659 -15.247 -1.866 584 2HG2 VAL 71 1HG2 VAL 71 2.353 -15.113 -2.333 585 3HG2 VAL 71 3HG2 VAL 71 1.531 -13.738 -1.598 586 H LYS 72 H LYS 72 -2.941 -13.774 -4.225 587 HA LYS 72 HA LYS 72 -3.591 -16.270 -2.940 588 1HB LYS 72 2HB LYS 72 -5.268 -14.503 -3.481 589 2HB LYS 72 1HB LYS 72 -5.055 -14.859 -5.194 590 1HG LYS 72 2HG LYS 72 -6.975 -16.102 -4.520 591 2HG LYS 72 1HG LYS 72 -5.664 -17.277 -4.618 592 1HD LYS 72 2HD LYS 72 -5.372 -16.493 -2.046 593 2HD LYS 72 1HD LYS 72 -7.110 -16.250 -2.235 594 1HE LYS 72 2HE LYS 72 -5.878 -18.802 -3.223 595 2HE LYS 72 1HE LYS 72 -6.183 -18.609 -1.498 596 1HZ LYS 72 1HZ LYS 72 -8.499 -17.936 -2.149 597 2HZ LYS 72 3HZ LYS 72 -8.143 -18.486 -3.713 598 3HZ LYS 72 2HZ LYS 72 -8.109 -19.571 -2.406 599 H SER 73 H SER 73 -3.424 -15.477 -6.432 600 HA SER 73 HA SER 73 -3.113 -18.348 -7.050 601 1HB SER 73 2HB SER 73 -4.609 -17.161 -8.505 602 2HB SER 73 1HB SER 73 -3.437 -15.873 -8.763 603 HG SER 73 HG SER 73 -3.730 -18.194 -10.076 604 H GLY 74 H GLY 74 -0.943 -18.085 -5.773 605 1HA GLY 74 2HA GLY 74 1.213 -17.049 -7.552 606 2HA GLY 74 1HA GLY 74 1.398 -17.397 -5.831 607 H SER 75 H SER 75 2.204 -19.371 -5.271 608 HA SER 75 HA SER 75 2.106 -21.566 -7.290 609 1HB SER 75 2HB SER 75 4.505 -20.358 -5.961 610 2HB SER 75 1HB SER 75 4.508 -22.083 -6.307 611 HG SER 75 HG SER 75 4.654 -19.922 -8.004 612 H MET 76 H MET 76 3.639 -21.239 -4.084 613 HA MET 76 HA MET 76 1.617 -22.606 -2.603 614 1HB MET 76 2HB MET 76 3.360 -24.301 -4.203 615 2HB MET 76 1HB MET 76 3.561 -24.650 -2.487 616 1HG MET 76 2HG MET 76 0.967 -24.656 -2.402 617 2HG MET 76 1HG MET 76 1.056 -24.814 -4.155 618 1HE MET 76 3HE MET 76 2.061 -26.331 -5.403 619 2HE MET 76 2HE MET 76 3.578 -26.955 -4.757 620 3HE MET 76 1HE MET 76 2.231 -28.055 -5.042 621 H LEU 77 H LEU 77 5.126 -23.233 -2.564 622 HA LEU 77 HA LEU 77 5.334 -22.446 0.222 623 1HB LEU 77 2HB LEU 77 7.786 -22.771 -0.153 624 2HB LEU 77 1HB LEU 77 6.824 -24.153 -0.674 625 HG LEU 77 HG LEU 77 6.923 -22.444 -2.917 626 1HD1 LEU 77 2HD1 LEU 77 8.785 -21.233 -1.844 627 2HD1 LEU 77 1HD1 LEU 77 9.657 -22.754 -1.642 628 3HD1 LEU 77 3HD1 LEU 77 9.342 -22.126 -3.260 629 1HD2 LEU 77 2HD2 LEU 77 7.032 -25.016 -2.655 630 2HD2 LEU 77 1HD2 LEU 77 7.963 -24.293 -3.966 631 3HD2 LEU 77 3HD2 LEU 77 8.772 -24.792 -2.480 632 H SER 78 H SER 78 5.465 -20.372 0.923 633 HA SER 78 HA SER 78 6.616 -18.327 -0.938 634 1HB SER 78 2HB SER 78 5.088 -16.695 0.136 635 2HB SER 78 1HB SER 78 4.201 -18.000 -0.647 636 HG SER 78 HG SER 78 4.019 -17.245 1.841 637 H ASN 79 H ASN 79 5.982 -18.987 2.525 638 HA ASN 79 HA ASN 79 7.278 -18.525 4.422 639 1HB ASN 79 2HB ASN 79 9.574 -18.253 2.456 640 2HB ASN 79 1HB ASN 79 9.692 -18.589 4.184 641 1HD2 ASN 79 2HD2 ASN 79 8.006 -21.901 3.506 642 2HD2 ASN 79 1HD2 ASN 79 7.521 -20.508 4.346 643 H ASN 80 H ASN 80 5.827 -16.413 3.560 644 HA ASN 80 HA ASN 80 5.667 -14.080 3.687 645 1HB ASN 80 2HB ASN 80 8.148 -14.683 5.276 646 2HB ASN 80 1HB ASN 80 7.697 -13.009 4.957 647 1HD2 ASN 80 2HD2 ASN 80 5.061 -13.014 7.298 648 2HD2 ASN 80 1HD2 ASN 80 5.982 -12.124 6.184 649 H ASP 81 H ASP 81 5.816 -13.548 1.497 650 HA ASP 81 HA ASP 81 8.557 -12.925 0.468 651 1HB ASP 81 2HB ASP 81 6.969 -14.666 -0.703 652 2HB ASP 81 1HB ASP 81 6.155 -13.226 -1.314 653 H SER 82 H SER 82 8.406 -11.087 -1.269 654 HA SER 82 HA SER 82 6.713 -8.911 -0.117 655 1HB SER 82 2HB SER 82 9.142 -8.525 0.061 656 2HB SER 82 1HB SER 82 9.307 -8.733 -1.680 657 HG SER 82 HG SER 82 8.970 -6.647 -1.665 658 H ARG 83 H ARG 83 5.052 -10.025 -1.607 659 HA ARG 83 HA ARG 83 5.206 -8.743 -4.305 660 1HB ARG 83 2HB ARG 83 4.203 -11.515 -3.595 661 2HB ARG 83 1HB ARG 83 3.875 -10.732 -5.139 662 1HG ARG 83 2HG ARG 83 6.702 -10.545 -4.520 663 2HG ARG 83 1HG ARG 83 6.175 -12.224 -4.426 664 1HD ARG 83 2HD ARG 83 4.916 -11.317 -6.724 665 2HD ARG 83 1HD ARG 83 6.475 -10.495 -6.775 666 HE ARG 83 HE ARG 83 7.553 -12.721 -6.672 667 1HH1 ARG 83 1HH2 ARG 83 4.917 -12.333 -8.595 668 2HH1 ARG 83 2HH2 ARG 83 4.481 -14.006 -8.693 669 1HH2 ARG 83 1HH1 ARG 83 5.470 -15.513 -7.332 670 2HH2 ARG 83 2HH1 ARG 83 6.667 -14.996 -6.192 671 H TRP 84 H TRP 84 3.734 -7.112 -4.131 672 HA TRP 84 HA TRP 84 1.129 -7.705 -2.781 673 1HB TRP 84 2HB TRP 84 2.552 -5.068 -3.246 674 2HB TRP 84 1HB TRP 84 0.947 -5.222 -2.538 675 HD1 TRP 84 HD1 TRP 84 4.339 -6.994 -1.861 676 HE1 TRP 84 HE1 TRP 84 4.732 -6.996 0.684 677 HE3 TRP 84 HE3 TRP 84 0.140 -4.530 -0.316 678 HZ2 TRP 84 HZ2 TRP 84 3.439 -6.076 3.064 679 HZ3 TRP 84 HZ3 TRP 84 -0.251 -4.105 2.095 680 HH2 TRP 84 HH2 TRP 84 1.391 -4.874 3.785 681 H GLU 85 H GLU 85 -0.706 -7.584 -4.015 682 HA GLU 85 HA GLU 85 -0.528 -6.200 -6.655 683 1HB GLU 85 2HB GLU 85 -1.906 -8.034 -7.645 684 2HB GLU 85 1HB GLU 85 -0.323 -8.596 -7.108 685 1HG GLU 85 2HG GLU 85 -1.407 -9.291 -4.934 686 2HG GLU 85 1HG GLU 85 -2.968 -8.934 -5.672 687 H PHE 86 H PHE 86 -2.139 -4.715 -6.807 688 HA PHE 86 HA PHE 86 -4.476 -4.989 -4.975 689 1HB PHE 86 2HB PHE 86 -3.138 -2.613 -6.268 690 2HB PHE 86 1HB PHE 86 -4.757 -2.497 -5.578 691 HD1 PHE 86 HD2 PHE 86 -1.414 -3.947 -4.654 692 HD2 PHE 86 HD1 PHE 86 -4.904 -1.802 -3.373 693 HE1 PHE 86 HE2 PHE 86 -0.438 -3.717 -2.386 694 HE2 PHE 86 HE1 PHE 86 -3.933 -1.573 -1.101 695 HZ PHE 86 HZ PHE 86 -1.698 -2.529 -0.608 696 H GLU 87 H GLU 87 -6.279 -5.732 -5.943 697 HA GLU 87 HA GLU 87 -6.619 -5.431 -8.869 698 1HB GLU 87 2HB GLU 87 -8.091 -7.007 -6.745 699 2HB GLU 87 1HB GLU 87 -8.670 -6.887 -8.407 700 1HG GLU 87 2HG GLU 87 -6.551 -7.821 -9.230 701 2HG GLU 87 1HG GLU 87 -5.939 -7.913 -7.579 702 H ASN 88 H ASN 88 -8.192 -4.123 -9.777 703 HA ASN 88 HA ASN 88 -9.812 -2.476 -7.873 704 1HB ASN 88 2HB ASN 88 -7.977 -1.397 -9.393 705 2HB ASN 88 1HB ASN 88 -9.159 -1.620 -10.684 706 1HD2 ASN 88 2HD2 ASN 88 -10.019 1.030 -7.656 707 2HD2 ASN 88 1HD2 ASN 88 -8.891 -0.209 -7.377 708 H GLU 89 H GLU 89 -11.986 -1.954 -8.550 709 HA GLU 89 HA GLU 89 -13.119 -3.981 -10.427 710 1HB GLU 89 2HB GLU 89 -13.862 -3.231 -7.827 711 2HB GLU 89 1HB GLU 89 -15.076 -2.481 -8.862 712 1HG GLU 89 2HG GLU 89 -15.926 -4.652 -8.406 713 2HG GLU 89 1HG GLU 89 -15.246 -4.769 -10.029 714 H ARG 90 H ARG 90 -12.803 -0.542 -9.822 715 HA ARG 90 HA ARG 90 -13.366 1.315 -11.134 716 1HB ARG 90 2HB ARG 90 -12.951 -0.911 -13.035 717 2HB ARG 90 1HB ARG 90 -13.928 0.416 -13.665 718 1HG ARG 90 2HG ARG 90 -12.204 1.985 -13.401 719 2HG ARG 90 1HG ARG 90 -11.357 0.996 -12.211 720 1HD ARG 90 2HD ARG 90 -10.131 0.026 -13.831 721 2HD ARG 90 1HD ARG 90 -11.588 -0.468 -14.690 722 HE ARG 90 HE ARG 90 -10.043 2.009 -15.189 723 1HH1 ARG 90 1HH2 ARG 90 -12.387 3.234 -15.773 724 2HH1 ARG 90 2HH2 ARG 90 -12.976 2.579 -17.265 725 1HH2 ARG 90 2HH1 ARG 90 -10.966 -0.241 -17.127 726 2HH2 ARG 90 1HH1 ARG 90 -12.172 0.613 -18.030 727 H HIS 91 H HIS 91 -15.210 2.102 -12.711 728 HA HIS 91 HA HIS 91 -17.764 0.853 -11.777 729 1HB HIS 91 2HB HIS 91 -16.808 3.623 -11.829 730 2HB HIS 91 1HB HIS 91 -18.370 3.445 -12.624 731 HD1 HIS 91 HD1 HIS 91 -16.995 4.006 -9.379 732 HD2 HIS 91 HD2 HIS 91 -20.194 1.751 -10.816 733 HE1 HIS 91 HE1 HIS 91 -18.510 3.566 -7.397 734 H ALA 92 HN ALA 92 -18.018 -0.530 -13.579 735 HA ALA 92 HA ALA 92 -18.858 0.850 -16.063 736 1HB ALA 92 1HB ALA 92 -16.739 -1.313 -15.941 737 2HB ALA 92 3HB ALA 92 -17.551 -0.820 -17.427 738 3HB ALA 92 2HB ALA 92 -16.544 0.331 -16.547 No H/Q in entry = 738 Start of MODEL 14 Raw file had 756 H/Q atoms Start of MODEL 14 1 1H ALA 1 3H ALA 1 -10.523 20.449 -2.471 2 2H ALA 1 2H ALA 1 -11.684 21.150 -1.448 3 3H ALA 1 1H ALA 1 -10.849 19.755 -0.959 4 HA ALA 1 HA ALA 1 -13.014 19.080 -1.624 5 1HB ALA 1 2HB ALA 1 -13.306 21.196 -3.047 6 2HB ALA 1 1HB ALA 1 -12.460 20.321 -4.324 7 3HB ALA 1 3HB ALA 1 -13.994 19.708 -3.701 8 H ARG 2 H ARG 2 -13.456 17.374 -3.424 9 HA ARG 2 HA ARG 2 -12.759 15.384 -4.444 10 1HB ARG 2 2HB ARG 2 -10.554 17.294 -5.221 11 2HB ARG 2 1HB ARG 2 -10.542 15.608 -5.742 12 1HG ARG 2 2HG ARG 2 -12.922 17.428 -6.169 13 2HG ARG 2 1HG ARG 2 -11.631 17.253 -7.359 14 1HD ARG 2 2HD ARG 2 -12.715 14.703 -6.325 15 2HD ARG 2 1HD ARG 2 -13.850 15.663 -7.274 16 HE ARG 2 HE ARG 2 -11.423 15.611 -8.716 17 1HH1 ARG 2 1HH2 ARG 2 -14.421 14.192 -8.629 18 2HH1 ARG 2 2HH2 ARG 2 -13.966 12.724 -9.426 19 1HH2 ARG 2 2HH1 ARG 2 -10.566 13.392 -9.289 20 2HH2 ARG 2 1HH1 ARG 2 -11.784 12.271 -9.801 21 HA PRO 3 HA PRO 3 -9.845 13.657 -1.663 22 1HB PRO 3 2HB PRO 3 -9.254 11.245 -2.816 23 2HB PRO 3 1HB PRO 3 -10.815 11.609 -2.061 24 1HG PRO 3 2HG PRO 3 -10.140 11.381 -4.946 25 2HG PRO 3 1HG PRO 3 -11.699 11.155 -4.134 26 1HD PRO 3 2HD PRO 3 -10.880 13.449 -5.588 27 2HD PRO 3 1HD PRO 3 -12.316 13.310 -4.557 28 H ALA 4 H ALA 4 -7.847 14.574 -1.466 29 HA ALA 4 HA ALA 4 -5.975 14.929 -3.598 30 1HB ALA 4 2HB ALA 4 -5.930 15.206 -0.633 31 2HB ALA 4 1HB ALA 4 -4.370 15.042 -1.438 32 3HB ALA 4 3HB ALA 4 -5.454 16.362 -1.879 33 H PHE 5 H PHE 5 -6.682 12.197 -1.556 34 HA PHE 5 HA PHE 5 -4.122 10.879 -1.833 35 1HB PHE 5 2HB PHE 5 -5.862 10.354 -0.067 36 2HB PHE 5 1HB PHE 5 -6.809 9.566 -1.330 37 HD1 PHE 5 HD2 PHE 5 -3.521 9.526 0.416 38 HD2 PHE 5 HD1 PHE 5 -6.248 7.387 -2.122 39 HE1 PHE 5 HE2 PHE 5 -2.136 7.483 0.651 40 HE2 PHE 5 HE1 PHE 5 -4.861 5.343 -1.887 41 HZ PHE 5 HZ PHE 5 -2.806 5.392 -0.500 42 H VAL 6 H VAL 6 -7.262 10.546 -3.550 43 HA VAL 6 HA VAL 6 -6.396 8.483 -5.336 44 HB VAL 6 HB VAL 6 -8.447 10.650 -5.897 45 1HG1 VAL 6 3HG1 VAL 6 -7.927 7.897 -7.055 46 2HG1 VAL 6 2HG1 VAL 6 -9.421 8.794 -7.327 47 3HG1 VAL 6 1HG1 VAL 6 -7.886 9.440 -7.907 48 1HG2 VAL 6 3HG2 VAL 6 -8.459 8.249 -4.148 49 2HG2 VAL 6 2HG2 VAL 6 -9.433 9.715 -4.051 50 3HG2 VAL 6 1HG2 VAL 6 -9.870 8.442 -5.188 51 H ASN 7 H ASN 7 -6.195 12.018 -5.492 52 HA ASN 7 HA ASN 7 -5.146 12.132 -8.180 53 1HB ASN 7 2HB ASN 7 -5.104 14.029 -5.830 54 2HB ASN 7 1HB ASN 7 -4.253 14.408 -7.327 55 1HD2 ASN 7 2HD2 ASN 7 -7.218 15.639 -8.751 56 2HD2 ASN 7 1HD2 ASN 7 -5.543 15.802 -8.538 57 H LYS 8 H LYS 8 -3.737 11.627 -5.003 58 HA LYS 8 HA LYS 8 -0.980 11.995 -5.728 59 1HB LYS 8 2HB LYS 8 -1.450 12.010 -3.401 60 2HB LYS 8 1HB LYS 8 -2.431 10.558 -3.495 61 1HG LYS 8 2HG LYS 8 -0.283 9.287 -4.059 62 2HG LYS 8 1HG LYS 8 0.589 10.754 -3.641 63 1HD LYS 8 2HD LYS 8 -0.675 10.693 -1.409 64 2HD LYS 8 1HD LYS 8 -1.165 9.057 -1.854 65 1HE LYS 8 2HE LYS 8 1.117 8.308 -1.936 66 2HE LYS 8 1HE LYS 8 1.727 9.955 -1.800 67 1HZ LYS 8 2HZ LYS 8 0.609 10.060 0.403 68 2HZ LYS 8 1HZ LYS 8 0.280 8.398 0.268 69 3HZ LYS 8 3HZ LYS 8 1.886 8.940 0.325 70 H LEU 9 H LEU 9 -3.251 9.326 -6.017 71 HA LEU 9 HA LEU 9 -1.374 7.240 -6.532 72 1HB LEU 9 2HB LEU 9 -3.889 7.037 -6.068 73 2HB LEU 9 1HB LEU 9 -4.120 7.410 -7.776 74 HG LEU 9 HG LEU 9 -2.644 5.495 -8.368 75 1HD1 LEU 9 1HD1 LEU 9 -2.361 5.446 -5.412 76 2HD1 LEU 9 3HD1 LEU 9 -2.517 3.873 -6.197 77 3HD1 LEU 9 2HD1 LEU 9 -1.212 4.966 -6.661 78 1HD2 LEU 9 3HD2 LEU 9 -5.234 5.393 -7.880 79 2HD2 LEU 9 2HD2 LEU 9 -4.332 3.900 -8.136 80 3HD2 LEU 9 1HD2 LEU 9 -4.734 4.418 -6.499 81 H TRP 10 H TRP 10 -3.348 9.050 -8.927 82 HA TRP 10 HA TRP 10 -2.111 8.043 -11.244 83 1HB TRP 10 2HB TRP 10 -2.989 10.921 -11.019 84 2HB TRP 10 1HB TRP 10 -3.014 9.886 -12.441 85 HD1 TRP 10 HD1 TRP 10 -5.560 11.416 -11.119 86 HE1 TRP 10 HE1 TRP 10 -7.640 10.018 -10.524 87 HE3 TRP 10 HE3 TRP 10 -3.473 6.744 -10.868 88 HZ2 TRP 10 HZ2 TRP 10 -8.333 7.299 -10.013 89 HZ3 TRP 10 HZ3 TRP 10 -4.872 4.780 -10.326 90 HH2 TRP 10 HH2 TRP 10 -7.297 5.049 -9.897 91 H SER 11 H SER 11 -0.718 10.248 -8.936 92 HA SER 11 HA SER 11 1.248 11.304 -10.844 93 1HB SER 11 2HB SER 11 0.214 12.187 -8.421 94 2HB SER 11 1HB SER 11 1.861 11.715 -8.016 95 HG SER 11 HG SER 11 2.574 13.340 -9.141 96 H MET 12 H MET 12 1.178 8.793 -8.339 97 HA MET 12 HA MET 12 4.097 8.395 -8.590 98 1HB MET 12 2HB MET 12 2.139 6.783 -6.945 99 2HB MET 12 1HB MET 12 3.892 6.846 -6.766 100 1HG MET 12 2HG MET 12 3.448 9.438 -6.459 101 2HG MET 12 1HG MET 12 1.836 8.889 -6.005 102 1HE MET 12 1HE MET 12 1.490 6.839 -4.283 103 2HE MET 12 3HE MET 12 2.817 5.919 -5.003 104 3HE MET 12 2HE MET 12 2.767 6.186 -3.262 105 H VAL 13 H VAL 13 1.185 6.933 -9.868 106 HA VAL 13 HA VAL 13 2.625 4.442 -10.495 107 HB VAL 13 HB VAL 13 -0.019 4.655 -11.751 108 1HG1 VAL 13 3HG1 VAL 13 1.415 2.788 -9.866 109 2HG1 VAL 13 2HG1 VAL 13 -0.270 2.531 -10.321 110 3HG1 VAL 13 1HG1 VAL 13 0.989 2.526 -11.556 111 1HG2 VAL 13 1HG2 VAL 13 0.253 5.412 -8.878 112 2HG2 VAL 13 3HG2 VAL 13 -1.033 5.780 -10.028 113 3HG2 VAL 13 2HG2 VAL 13 -0.970 4.202 -9.250 114 H ASN 14 H ASN 14 1.923 7.422 -12.137 115 HA ASN 14 HA ASN 14 1.809 6.518 -14.822 116 1HB ASN 14 2HB ASN 14 3.024 8.750 -15.358 117 2HB ASN 14 1HB ASN 14 1.433 8.820 -14.607 118 1HD2 ASN 14 2HD2 ASN 14 4.676 10.233 -12.609 119 2HD2 ASN 14 1HD2 ASN 14 4.838 9.512 -14.136 120 H ASP 15 H ASP 15 4.484 6.512 -12.611 121 HA ASP 15 HA ASP 15 6.665 5.715 -12.831 122 1HB ASP 15 2HB ASP 15 5.382 4.352 -15.212 123 2HB ASP 15 1HB ASP 15 6.991 3.971 -14.597 124 H LYS 16 H LYS 16 6.369 8.308 -13.822 125 HA LYS 16 HA LYS 16 7.767 8.356 -16.441 126 1HB LYS 16 2HB LYS 16 5.886 9.992 -15.851 127 2HB LYS 16 1HB LYS 16 7.021 10.742 -14.728 128 1HG LYS 16 2HG LYS 16 8.583 11.201 -16.540 129 2HG LYS 16 1HG LYS 16 7.556 10.337 -17.684 130 1HD LYS 16 2HD LYS 16 6.083 12.068 -17.874 131 2HD LYS 16 1HD LYS 16 6.209 12.494 -16.166 132 1HE LYS 16 2HE LYS 16 7.164 14.271 -17.589 133 2HE LYS 16 1HE LYS 16 8.410 13.530 -16.585 134 1HZ LYS 16 1HZ LYS 16 7.841 12.693 -19.372 135 2HZ LYS 16 3HZ LYS 16 9.028 13.835 -18.964 136 3HZ LYS 16 2HZ LYS 16 9.161 12.236 -18.404 137 H SER 17 H SER 17 8.220 9.482 -13.098 138 HA SER 17 HA SER 17 11.146 9.729 -13.618 139 1HB SER 17 2HB SER 17 9.894 10.600 -11.045 140 2HB SER 17 1HB SER 17 11.237 11.313 -11.932 141 HG SER 17 HG SER 17 9.841 12.298 -13.273 142 H ASN 18 H ASN 18 8.708 8.027 -11.748 143 HA ASN 18 HA ASN 18 10.792 6.591 -10.195 144 1HB ASN 18 2HB ASN 18 7.784 6.248 -10.036 145 2HB ASN 18 1HB ASN 18 8.985 5.735 -8.852 146 1HD2 ASN 18 2HD2 ASN 18 7.409 9.104 -7.945 147 2HD2 ASN 18 1HD2 ASN 18 6.699 7.656 -8.473 148 H GLU 19 H GLU 19 10.223 6.239 -13.186 149 HA GLU 19 HA GLU 19 8.932 3.744 -13.669 150 1HB GLU 19 2HB GLU 19 9.598 5.381 -15.442 151 2HB GLU 19 1HB GLU 19 11.278 4.938 -15.181 152 1HG GLU 19 2HG GLU 19 11.034 2.866 -16.161 153 2HG GLU 19 1HG GLU 19 9.342 2.725 -15.686 154 H LYS 20 H LYS 20 9.616 2.287 -12.019 155 HA LYS 20 HA LYS 20 11.751 0.535 -12.611 156 1HB LYS 20 2HB LYS 20 12.997 2.729 -11.786 157 2HB LYS 20 1HB LYS 20 12.510 2.158 -10.197 158 1HG LYS 20 2HG LYS 20 13.504 -0.120 -10.956 159 2HG LYS 20 1HG LYS 20 14.331 0.832 -12.191 160 1HD LYS 20 2HD LYS 20 15.398 2.208 -10.518 161 2HD LYS 20 1HD LYS 20 14.432 1.486 -9.234 162 1HE LYS 20 2HE LYS 20 15.656 -0.696 -10.501 163 2HE LYS 20 1HE LYS 20 16.913 0.538 -10.418 164 1HZ LYS 20 1HZ LYS 20 15.239 0.018 -8.059 165 2HZ LYS 20 3HZ LYS 20 16.514 -1.041 -8.420 166 3HZ LYS 20 2HZ LYS 20 16.830 0.605 -8.143 167 H PHE 21 H PHE 21 9.771 2.050 -10.095 168 HA PHE 21 HA PHE 21 9.825 -0.479 -8.549 169 1HB PHE 21 2HB PHE 21 8.707 2.232 -7.802 170 2HB PHE 21 1HB PHE 21 8.872 0.846 -6.726 171 HD1 PHE 21 HD1 PHE 21 11.191 -0.061 -6.243 172 HD2 PHE 21 HD2 PHE 21 10.534 3.664 -8.275 173 HE1 PHE 21 HE1 PHE 21 13.530 0.613 -5.763 174 HE2 PHE 21 HE2 PHE 21 12.872 4.340 -7.795 175 HZ PHE 21 HZ PHE 21 14.370 2.814 -6.538 176 H ILE 22 H ILE 22 7.024 1.713 -8.495 177 HA ILE 22 HA ILE 22 5.220 -0.528 -8.740 178 HB ILE 22 HB ILE 22 4.717 1.483 -7.385 179 1HG1 ILE 22 2HG1 ILE 22 2.707 1.216 -9.635 180 2HG1 ILE 22 1HG1 ILE 22 2.915 -0.016 -8.388 181 1HG2 ILE 22 2HG2 ILE 22 5.709 3.004 -9.286 182 2HG2 ILE 22 1HG2 ILE 22 4.059 2.973 -9.908 183 3HG2 ILE 22 3HG2 ILE 22 4.381 3.604 -8.293 184 1HD1 ILE 22 1HD1 ILE 22 2.336 2.898 -7.792 185 2HD1 ILE 22 3HD1 ILE 22 1.093 1.650 -7.884 186 3HD1 ILE 22 2HD1 ILE 22 2.343 1.559 -6.644 187 H HIS 23 H HIS 23 3.494 -0.685 -10.350 188 HA HIS 23 HA HIS 23 3.592 0.689 -12.870 189 1HB HIS 23 2HB HIS 23 4.364 -1.234 -14.261 190 2HB HIS 23 1HB HIS 23 5.638 -0.616 -13.211 191 HD1 HIS 23 HD1 HIS 23 4.649 -3.712 -14.335 192 HD2 HIS 23 HD2 HIS 23 5.122 -2.230 -10.467 193 HE1 HIS 23 HE1 HIS 23 4.921 -5.725 -12.823 194 H TRP 24 H TRP 24 1.771 0.102 -14.150 195 HA TRP 24 HA TRP 24 -0.442 -1.052 -12.758 196 1HB TRP 24 2HB TRP 24 -0.023 -0.582 -15.725 197 2HB TRP 24 1HB TRP 24 -1.566 -1.020 -14.995 198 HD1 TRP 24 HD1 TRP 24 1.015 1.812 -15.067 199 HE1 TRP 24 HE1 TRP 24 -0.121 3.983 -14.262 200 HE3 TRP 24 HE3 TRP 24 -3.521 -0.046 -13.633 201 HZ2 TRP 24 HZ2 TRP 24 -2.626 4.820 -13.158 202 HZ3 TRP 24 HZ3 TRP 24 -5.261 1.458 -12.712 203 HH2 TRP 24 HH2 TRP 24 -4.821 3.886 -12.472 204 H SER 25 H SER 25 -1.720 -2.962 -13.800 205 HA SER 25 HA SER 25 0.129 -5.268 -13.911 206 1HB SER 25 2HB SER 25 -1.934 -5.275 -12.446 207 2HB SER 25 1HB SER 25 -2.905 -5.278 -13.916 208 HG SER 25 HG SER 25 -2.289 -7.381 -12.866 209 H THR 26 H THR 26 0.603 -3.970 -16.148 210 HA THR 26 HA THR 26 0.611 -4.139 -18.481 211 HB THR 26 HB THR 26 -0.976 -6.687 -18.175 212 HG1 THR 26 HG1 THR 26 1.768 -6.218 -17.657 213 1HG2 THR 26 2HG2 THR 26 0.900 -5.469 -20.156 214 2HG2 THR 26 1HG2 THR 26 0.897 -7.224 -19.988 215 3HG2 THR 26 3HG2 THR 26 -0.586 -6.379 -20.431 216 H SER 27 H SER 27 -0.706 -2.504 -19.196 217 HA SER 27 HA SER 27 -2.589 -1.507 -20.168 218 1HB SER 27 2HB SER 27 -4.091 -4.103 -20.013 219 2HB SER 27 1HB SER 27 -4.150 -2.858 -21.257 220 HG SER 27 HG SER 27 -1.927 -3.465 -21.719 221 H GLY 28 H GLY 28 -2.264 -1.887 -17.180 222 1HA GLY 28 2HA GLY 28 -3.547 -0.880 -15.440 223 2HA GLY 28 1HA GLY 28 -4.968 -0.949 -16.479 224 H GLU 29 H GLU 29 -6.422 -2.057 -15.272 225 HA GLU 29 HA GLU 29 -7.511 -3.998 -14.503 226 1HB GLU 29 2HB GLU 29 -4.864 -5.464 -14.451 227 2HB GLU 29 1HB GLU 29 -6.486 -6.148 -14.480 228 1HG GLU 29 2HG GLU 29 -6.154 -4.397 -16.755 229 2HG GLU 29 1HG GLU 29 -4.824 -5.551 -16.706 230 H SER 30 H SER 30 -4.227 -4.059 -13.038 231 HA SER 30 HA SER 30 -5.348 -3.102 -10.491 232 1HB SER 30 2HB SER 30 -3.819 -5.656 -10.277 233 2HB SER 30 1HB SER 30 -5.093 -5.022 -9.239 234 HG SER 30 HG SER 30 -6.533 -5.967 -10.453 235 H ILE 31 H ILE 31 -3.468 -3.007 -8.812 236 HA ILE 31 HA ILE 31 -1.062 -2.030 -10.265 237 HB ILE 31 HB ILE 31 -1.785 -1.669 -7.342 238 1HG1 ILE 31 2HG1 ILE 31 -2.070 0.408 -9.517 239 2HG1 ILE 31 1HG1 ILE 31 -3.395 -0.691 -9.132 240 1HG2 ILE 31 3HG2 ILE 31 0.637 -1.415 -8.100 241 2HG2 ILE 31 2HG2 ILE 31 0.093 -0.062 -9.093 242 3HG2 ILE 31 1HG2 ILE 31 -0.070 0.011 -7.339 243 1HD1 ILE 31 1HD1 ILE 31 -1.994 1.029 -7.068 244 2HD1 ILE 31 3HD1 ILE 31 -3.480 1.505 -7.891 245 3HD1 ILE 31 2HD1 ILE 31 -3.467 0.084 -6.846 246 H VAL 32 H VAL 32 0.921 -2.996 -10.010 247 HA VAL 32 HA VAL 32 1.072 -5.296 -8.097 248 HB VAL 32 HB VAL 32 2.396 -5.065 -10.817 249 1HG1 VAL 32 2HG1 VAL 32 2.594 -6.967 -8.544 250 2HG1 VAL 32 1HG1 VAL 32 2.488 -7.687 -10.151 251 3HG1 VAL 32 3HG1 VAL 32 3.788 -6.556 -9.774 252 1HG2 VAL 32 2HG2 VAL 32 -0.114 -6.422 -9.842 253 2HG2 VAL 32 1HG2 VAL 32 0.115 -5.427 -11.281 254 3HG2 VAL 32 3HG2 VAL 32 0.773 -7.062 -11.227 255 H VAL 33 H VAL 33 2.585 -4.955 -6.560 256 HA VAL 33 HA VAL 33 4.738 -2.964 -7.094 257 HB VAL 33 HB VAL 33 3.994 -4.187 -4.426 258 1HG1 VAL 33 2HG1 VAL 33 5.749 -1.961 -5.400 259 2HG1 VAL 33 1HG1 VAL 33 4.982 -1.805 -3.820 260 3HG1 VAL 33 3HG1 VAL 33 6.058 -3.163 -4.146 261 1HG2 VAL 33 3HG2 VAL 33 2.976 -1.628 -5.711 262 2HG2 VAL 33 2HG2 VAL 33 2.011 -3.058 -5.345 263 3HG2 VAL 33 1HG2 VAL 33 2.697 -2.099 -4.035 264 HA PRO 34 HA PRO 34 7.096 -6.790 -7.259 265 1HB PRO 34 2HB PRO 34 9.226 -5.816 -8.691 266 2HB PRO 34 1HB PRO 34 7.735 -6.418 -9.437 267 1HG PRO 34 2HG PRO 34 8.673 -3.616 -9.120 268 2HG PRO 34 1HG PRO 34 7.569 -4.302 -10.325 269 1HD PRO 34 2HD PRO 34 6.823 -2.806 -8.041 270 2HD PRO 34 1HD PRO 34 5.739 -3.744 -9.082 271 H ASN 35 H ASN 35 8.084 -3.563 -6.270 272 HA ASN 35 HA ASN 35 9.771 -4.774 -4.158 273 1HB ASN 35 2HB ASN 35 11.574 -3.035 -4.644 274 2HB ASN 35 1HB ASN 35 11.458 -4.361 -5.799 275 1HD2 ASN 35 2HD2 ASN 35 11.448 -1.763 -8.238 276 2HD2 ASN 35 1HD2 ASN 35 12.380 -2.981 -7.509 277 H ARG 36 H ARG 36 7.878 -4.002 -2.929 278 HA ARG 36 HA ARG 36 7.287 -1.161 -2.756 279 1HB ARG 36 2HB ARG 36 5.680 -3.033 -2.179 280 2HB ARG 36 1HB ARG 36 6.639 -3.314 -0.728 281 1HG ARG 36 2HG ARG 36 6.290 -0.889 -0.124 282 2HG ARG 36 1HG ARG 36 5.156 -0.780 -1.471 283 1HD ARG 36 2HD ARG 36 4.614 -3.091 0.240 284 2HD ARG 36 1HD ARG 36 4.530 -1.569 1.124 285 HE ARG 36 HE ARG 36 2.830 -2.290 -1.211 286 1HH1 ARG 36 2HH1 ARG 36 3.601 0.673 -0.801 287 2HH1 ARG 36 1HH1 ARG 36 2.218 1.239 0.074 288 1HH2 ARG 36 1HH2 ARG 36 1.085 -1.943 0.865 289 2HH2 ARG 36 2HH2 ARG 36 0.793 -0.242 1.018 290 H GLU 37 H GLU 37 9.535 -3.326 -1.183 291 HA GLU 37 HA GLU 37 10.015 -1.861 1.206 292 1HB GLU 37 2HB GLU 37 10.851 -4.181 0.685 293 2HB GLU 37 1HB GLU 37 12.059 -3.450 -0.373 294 1HG GLU 37 2HG GLU 37 13.186 -2.424 1.411 295 2HG GLU 37 1HG GLU 37 11.789 -2.533 2.482 296 H ARG 38 H ARG 38 11.773 -1.698 -1.923 297 HA ARG 38 HA ARG 38 13.348 0.589 -0.999 298 1HB ARG 38 2HB ARG 38 13.263 -1.153 -3.384 299 2HB ARG 38 1HB ARG 38 13.725 0.514 -3.715 300 1HG ARG 38 2HG ARG 38 15.045 -0.529 -1.320 301 2HG ARG 38 1HG ARG 38 15.405 -1.498 -2.747 302 1HD ARG 38 2HD ARG 38 15.792 0.832 -3.897 303 2HD ARG 38 1HD ARG 38 15.988 1.406 -2.240 304 HE ARG 38 HE ARG 38 17.822 -0.393 -3.674 305 1HH1 ARG 38 2HH1 ARG 38 17.845 -1.883 -1.317 306 2HH1 ARG 38 1HH1 ARG 38 18.811 -0.989 -0.191 307 1HH2 ARG 38 1HH2 ARG 38 18.586 1.988 -1.951 308 2HH2 ARG 38 2HH2 ARG 38 19.229 1.200 -0.550 309 H PHE 39 H PHE 39 10.410 0.101 -2.856 310 HA PHE 39 HA PHE 39 10.241 2.628 -4.153 311 1HB PHE 39 2HB PHE 39 8.685 0.911 -4.771 312 2HB PHE 39 1HB PHE 39 8.126 0.722 -3.115 313 HD1 PHE 39 HD1 PHE 39 8.066 2.969 -6.081 314 HD2 PHE 39 HD2 PHE 39 6.481 2.184 -2.164 315 HE1 PHE 39 HE1 PHE 39 6.280 4.643 -6.470 316 HE2 PHE 39 HE2 PHE 39 4.690 3.855 -2.559 317 HZ PHE 39 HZ PHE 39 4.593 5.086 -4.708 318 H VAL 40 H VAL 40 8.617 1.675 -1.111 319 HA VAL 40 HA VAL 40 7.685 4.223 -0.369 320 HB VAL 40 HB VAL 40 8.639 2.032 1.505 321 1HG1 VAL 40 1HG1 VAL 40 8.000 4.459 2.320 322 2HG1 VAL 40 3HG1 VAL 40 6.353 3.905 2.028 323 3HG1 VAL 40 2HG1 VAL 40 7.379 3.051 3.179 324 1HG2 VAL 40 2HG2 VAL 40 5.960 2.470 0.148 325 2HG2 VAL 40 1HG2 VAL 40 7.053 1.115 -0.112 326 3HG2 VAL 40 3HG2 VAL 40 6.246 1.307 1.441 327 H GLN 41 H GLN 41 10.742 2.651 0.555 328 HA GLN 41 HA GLN 41 11.720 4.802 2.160 329 1HB GLN 41 2HB GLN 41 12.541 2.378 2.043 330 2HB GLN 41 1HB GLN 41 13.491 2.898 0.650 331 1HG GLN 41 2HG GLN 41 15.032 3.402 2.263 332 2HG GLN 41 1HG GLN 41 14.099 4.891 2.374 333 1HE2 GLN 41 2HE2 GLN 41 13.521 4.233 5.781 334 2HE2 GLN 41 1HE2 GLN 41 14.003 5.346 4.593 335 H GLU 42 H GLU 42 11.673 4.458 -1.326 336 HA GLU 42 HA GLU 42 13.344 6.936 -1.468 337 1HB GLU 42 2HB GLU 42 13.420 4.587 -3.381 338 2HB GLU 42 1HB GLU 42 14.317 6.093 -3.577 339 1HG GLU 42 2HG GLU 42 14.564 4.402 -1.086 340 2HG GLU 42 1HG GLU 42 15.588 4.140 -2.499 341 H VAL 43 H VAL 43 10.335 6.500 -1.570 342 HA VAL 43 HA VAL 43 9.920 8.191 -3.945 343 HB VAL 43 HB VAL 43 8.409 5.568 -3.684 344 1HG1 VAL 43 2HG1 VAL 43 8.118 8.021 -5.357 345 2HG1 VAL 43 1HG1 VAL 43 7.889 6.472 -6.170 346 3HG1 VAL 43 3HG1 VAL 43 6.884 6.899 -4.784 347 1HG2 VAL 43 2HG2 VAL 43 10.585 6.489 -5.590 348 2HG2 VAL 43 1HG2 VAL 43 10.664 5.133 -4.466 349 3HG2 VAL 43 3HG2 VAL 43 9.586 5.061 -5.859 350 H LEU 44 H LEU 44 8.442 6.576 -1.111 351 HA LEU 44 HA LEU 44 6.014 8.091 -1.193 352 1HB LEU 44 2HB LEU 44 6.374 6.000 0.154 353 2HB LEU 44 1HB LEU 44 7.316 6.963 1.291 354 HG LEU 44 HG LEU 44 5.370 8.445 1.654 355 1HD1 LEU 44 1HD1 LEU 44 4.322 6.882 -0.620 356 2HD1 LEU 44 3HD1 LEU 44 3.170 7.095 0.698 357 3HD1 LEU 44 2HD1 LEU 44 3.893 8.505 -0.077 358 1HD2 LEU 44 1HD2 LEU 44 5.779 6.009 2.738 359 2HD2 LEU 44 3HD2 LEU 44 4.422 7.039 3.196 360 3HD2 LEU 44 2HD2 LEU 44 4.188 5.742 2.024 361 HA PRO 45 HA PRO 45 7.989 11.030 1.971 362 1HB PRO 45 2HB PRO 45 10.720 11.310 1.964 363 2HB PRO 45 1HB PRO 45 9.838 10.268 3.094 364 1HG PRO 45 2HG PRO 45 11.436 9.512 0.696 365 2HG PRO 45 1HG PRO 45 11.130 8.592 2.179 366 1HD PRO 45 2HD PRO 45 9.848 8.177 -0.274 367 2HD PRO 45 1HD PRO 45 9.272 7.591 1.296 368 H LYS 46 H LYS 46 9.339 10.447 -1.204 369 HA LYS 46 HA LYS 46 10.254 13.081 -1.827 370 1HB LYS 46 2HB LYS 46 10.294 10.743 -3.168 371 2HB LYS 46 1HB LYS 46 8.917 11.498 -3.968 372 1HG LYS 46 2HG LYS 46 10.490 12.489 -5.275 373 2HG LYS 46 1HG LYS 46 10.698 13.580 -3.908 374 1HD LYS 46 2HD LYS 46 12.215 11.096 -3.575 375 2HD LYS 46 1HD LYS 46 12.676 11.965 -5.036 376 1HE LYS 46 2HE LYS 46 13.908 13.352 -3.762 377 2HE LYS 46 1HE LYS 46 12.422 13.928 -3.007 378 1HZ LYS 46 1HZ LYS 46 13.828 11.470 -2.134 379 2HZ LYS 46 3HZ LYS 46 14.130 12.995 -1.456 380 3HZ LYS 46 2HZ LYS 46 12.585 12.302 -1.326 381 H TYR 47 H TYR 47 7.045 11.704 -1.622 382 HA TYR 47 HA TYR 47 5.868 14.181 -2.789 383 1HB TYR 47 2HB TYR 47 4.687 11.450 -2.201 384 2HB TYR 47 1HB TYR 47 3.735 12.828 -2.753 385 HD1 TYR 47 HD2 TYR 47 6.829 10.896 -3.651 386 HD2 TYR 47 HD1 TYR 47 3.467 13.178 -5.048 387 HE1 TYR 47 HE2 TYR 47 7.472 10.409 -5.993 388 HE2 TYR 47 HE1 TYR 47 4.111 12.687 -7.392 389 HH TYR 47 HH TYR 47 5.780 10.415 -8.402 390 H PHE 48 H PHE 48 5.030 11.929 -0.121 391 HA PHE 48 HA PHE 48 4.105 14.288 1.449 392 1HB PHE 48 2HB PHE 48 3.517 11.334 1.800 393 2HB PHE 48 1HB PHE 48 2.876 12.624 2.820 394 HD1 PHE 48 HD2 PHE 48 3.133 11.605 -0.772 395 HD2 PHE 48 HD1 PHE 48 0.845 13.653 2.235 396 HE1 PHE 48 HE2 PHE 48 1.328 12.018 -2.415 397 HE2 PHE 48 HE1 PHE 48 -0.972 14.044 0.585 398 HZ PHE 48 HZ PHE 48 -0.726 13.229 -1.741 399 H LYS 49 H LYS 49 4.272 13.433 3.995 400 HA LYS 49 HA LYS 49 7.040 12.454 4.452 401 1HB LYS 49 2HB LYS 49 5.925 15.127 5.306 402 2HB LYS 49 1HB LYS 49 7.244 14.360 6.193 403 1HG LYS 49 2HG LYS 49 8.605 14.270 4.171 404 2HG LYS 49 1HG LYS 49 7.275 14.924 3.214 405 1HD LYS 49 2HD LYS 49 7.405 16.850 5.068 406 2HD LYS 49 1HD LYS 49 9.081 16.306 5.142 407 1HE LYS 49 2HE LYS 49 9.415 17.679 3.367 408 2HE LYS 49 1HE LYS 49 8.620 16.424 2.420 409 1HZ LYS 49 1HZ LYS 49 6.483 17.631 3.246 410 2HZ LYS 49 3HZ LYS 49 7.532 18.948 3.448 411 3HZ LYS 49 2HZ LYS 49 7.347 18.237 1.916 412 H HIS 50 H HIS 50 7.325 11.541 6.549 413 HA HIS 50 HA HIS 50 6.626 10.322 8.425 414 1HB HIS 50 2HB HIS 50 4.744 12.682 8.478 415 2HB HIS 50 1HB HIS 50 4.659 11.408 9.693 416 HD1 HIS 50 HD1 HIS 50 5.599 12.750 11.654 417 HD2 HIS 50 HD2 HIS 50 8.114 12.764 8.331 418 HE1 HIS 50 HE1 HIS 50 7.793 13.755 12.421 419 H SER 51 H SER 51 5.434 9.796 5.701 420 HA SER 51 HA SER 51 2.831 8.589 6.528 421 1HB SER 51 2HB SER 51 3.973 9.332 3.823 422 2HB SER 51 1HB SER 51 2.542 8.320 3.998 423 HG SER 51 HG SER 51 2.077 10.579 3.789 424 H ASN 52 H ASN 52 2.515 6.329 6.207 425 HA ASN 52 HA ASN 52 4.907 4.801 5.287 426 1HB ASN 52 2HB ASN 52 3.384 4.471 7.870 427 2HB ASN 52 1HB ASN 52 4.321 3.147 7.174 428 1HD2 ASN 52 2HD2 ASN 52 7.458 5.035 7.532 429 2HD2 ASN 52 1HD2 ASN 52 6.650 4.147 6.332 430 H PHE 53 H PHE 53 4.264 2.371 5.130 431 HA PHE 53 HA PHE 53 2.291 2.072 3.123 432 1HB PHE 53 2HB PHE 53 2.474 -0.403 3.678 433 2HB PHE 53 1HB PHE 53 3.993 0.399 3.290 434 HD1 PHE 53 HD2 PHE 53 1.834 -0.710 6.126 435 HD2 PHE 53 HD1 PHE 53 5.768 0.467 4.866 436 HE1 PHE 53 HE2 PHE 53 2.744 -1.389 8.331 437 HE2 PHE 53 HE1 PHE 53 6.678 -0.212 7.071 438 HZ PHE 53 HZ PHE 53 5.165 -1.140 8.804 439 H ALA 54 H ALA 54 2.012 1.923 6.607 440 HA ALA 54 HA ALA 54 -0.465 0.521 6.796 441 1HB ALA 54 2HB ALA 54 0.822 2.611 8.562 442 2HB ALA 54 1HB ALA 54 -0.694 1.817 8.983 443 3HB ALA 54 3HB ALA 54 0.779 0.865 8.807 444 H SER 55 H SER 55 0.234 3.983 6.341 445 HA SER 55 HA SER 55 -2.563 4.761 6.472 446 1HB SER 55 2HB SER 55 0.020 6.104 5.860 447 2HB SER 55 1HB SER 55 -1.432 6.843 5.193 448 HG SER 55 HG SER 55 -0.527 6.810 7.736 449 H PHE 56 H PHE 56 -0.305 3.957 3.859 450 HA PHE 56 HA PHE 56 -2.091 4.786 1.731 451 1HB PHE 56 2HB PHE 56 0.501 4.310 1.717 452 2HB PHE 56 1HB PHE 56 -0.014 2.669 1.325 453 HD1 PHE 56 HD2 PHE 56 -1.415 2.247 -0.672 454 HD2 PHE 56 HD1 PHE 56 0.288 6.100 0.110 455 HE1 PHE 56 HE2 PHE 56 -1.834 2.902 -3.029 456 HE2 PHE 56 HE1 PHE 56 -0.127 6.763 -2.246 457 HZ PHE 56 HZ PHE 56 -1.189 5.163 -3.815 458 H VAL 57 H VAL 57 -1.830 1.876 3.644 459 HA VAL 57 HA VAL 57 -3.356 0.234 1.757 460 HB VAL 57 HB VAL 57 -2.669 -0.283 4.668 461 1HG1 VAL 57 3HG1 VAL 57 -4.008 -1.855 2.513 462 2HG1 VAL 57 2HG1 VAL 57 -2.874 -2.718 3.551 463 3HG1 VAL 57 1HG1 VAL 57 -4.264 -1.895 4.258 464 1HG2 VAL 57 2HG2 VAL 57 -0.868 0.027 2.655 465 2HG2 VAL 57 1HG2 VAL 57 -0.632 -1.091 3.998 466 3HG2 VAL 57 3HG2 VAL 57 -1.259 -1.681 2.459 467 H ARG 58 H ARG 58 -3.988 1.847 4.880 468 HA ARG 58 HA ARG 58 -6.726 1.010 5.079 469 1HB ARG 58 2HB ARG 58 -5.017 2.324 6.744 470 2HB ARG 58 1HB ARG 58 -6.021 3.666 6.196 471 1HG ARG 58 2HG ARG 58 -7.912 1.736 6.692 472 2HG ARG 58 1HG ARG 58 -6.715 1.383 7.937 473 1HD ARG 58 2HD ARG 58 -6.849 3.596 8.830 474 2HD ARG 58 1HD ARG 58 -7.760 4.175 7.435 475 HE ARG 58 HE ARG 58 -8.848 2.598 9.677 476 1HH1 ARG 58 2HH1 ARG 58 -10.570 1.228 8.353 477 2HH1 ARG 58 1HH1 ARG 58 -11.691 2.260 7.531 478 1HH2 ARG 58 1HH2 ARG 58 -9.704 5.085 7.813 479 2HH2 ARG 58 2HH2 ARG 58 -11.200 4.444 7.223 480 H GLN 59 H GLN 59 -5.134 3.703 3.452 481 HA GLN 59 HA GLN 59 -7.542 5.167 2.824 482 1HB GLN 59 2HB GLN 59 -4.781 5.132 1.575 483 2HB GLN 59 1HB GLN 59 -6.070 6.198 1.018 484 1HG GLN 59 2HG GLN 59 -5.139 6.101 3.896 485 2HG GLN 59 1HG GLN 59 -4.483 7.227 2.709 486 1HE2 GLN 59 2HE2 GLN 59 -7.353 9.319 2.702 487 2HE2 GLN 59 1HE2 GLN 59 -5.887 8.950 1.930 488 H LEU 60 H LEU 60 -5.590 2.773 1.026 489 HA LEU 60 HA LEU 60 -7.142 2.788 -1.370 490 1HB LEU 60 2HB LEU 60 -5.474 0.628 -0.068 491 2HB LEU 60 1HB LEU 60 -6.201 0.445 -1.657 492 HG LEU 60 HG LEU 60 -4.361 2.729 -0.916 493 1HD1 LEU 60 3HD1 LEU 60 -3.852 -0.039 -1.922 494 2HD1 LEU 60 2HD1 LEU 60 -2.882 1.271 -2.593 495 3HD1 LEU 60 1HD1 LEU 60 -2.870 0.963 -0.857 496 1HD2 LEU 60 3HD2 LEU 60 -5.740 1.782 -3.417 497 2HD2 LEU 60 2HD2 LEU 60 -5.571 3.423 -2.793 498 3HD2 LEU 60 1HD2 LEU 60 -4.194 2.620 -3.545 499 H ASN 61 H ASN 61 -7.603 1.109 1.700 500 HA ASN 61 HA ASN 61 -9.696 -0.648 0.698 501 1HB ASN 61 2HB ASN 61 -8.483 -0.021 3.351 502 2HB ASN 61 1HB ASN 61 -10.098 -0.732 3.343 503 1HD2 ASN 61 2HD2 ASN 61 -8.869 -3.949 2.659 504 2HD2 ASN 61 1HD2 ASN 61 -10.130 -2.980 3.254 505 H MET 62 H MET 62 -9.589 2.564 2.108 506 HA MET 62 HA MET 62 -12.454 2.624 2.689 507 1HB MET 62 2HB MET 62 -10.444 4.023 3.730 508 2HB MET 62 1HB MET 62 -10.852 5.132 2.419 509 1HG MET 62 2HG MET 62 -13.335 4.627 3.326 510 2HG MET 62 1HG MET 62 -12.441 4.372 4.824 511 1HE MET 62 1HE MET 62 -10.812 5.932 5.827 512 2HE MET 62 3HE MET 62 -11.321 7.612 6.049 513 3HE MET 62 2HE MET 62 -12.421 6.295 6.447 514 H TYR 63 H TYR 63 -10.416 3.420 -0.042 515 HA TYR 63 HA TYR 63 -12.516 5.018 -1.340 516 1HB TYR 63 2HB TYR 63 -9.763 4.109 -2.185 517 2HB TYR 63 1HB TYR 63 -10.858 4.941 -3.290 518 HD1 TYR 63 HD2 TYR 63 -12.127 7.027 -1.967 519 HD2 TYR 63 HD1 TYR 63 -8.185 5.506 -1.205 520 HE1 TYR 63 HE2 TYR 63 -11.481 9.205 -0.973 521 HE2 TYR 63 HE1 TYR 63 -7.537 7.684 -0.210 522 HH TYR 63 HH TYR 63 -9.735 10.008 0.720 523 H GLY 64 H GLY 64 -11.226 1.730 -1.526 524 1HA GLY 64 2HA GLY 64 -13.332 0.287 -2.321 525 2HA GLY 64 1HA GLY 64 -12.985 1.125 -3.833 526 H TRP 65 H TRP 65 -10.047 1.103 -3.218 527 HA TRP 65 HA TRP 65 -9.313 -1.259 -4.631 528 1HB TRP 65 2HB TRP 65 -7.725 0.567 -2.810 529 2HB TRP 65 1HB TRP 65 -6.990 -0.722 -3.763 530 HD1 TRP 65 HD1 TRP 65 -8.731 2.653 -4.090 531 HE1 TRP 65 HE1 TRP 65 -8.330 3.573 -6.467 532 HE3 TRP 65 HE3 TRP 65 -6.495 -1.406 -6.242 533 HZ2 TRP 65 HZ2 TRP 65 -7.210 2.702 -8.947 534 HZ3 TRP 65 HZ3 TRP 65 -5.773 -1.331 -8.611 535 HH2 TRP 65 HH2 TRP 65 -6.127 0.715 -9.966 536 H HIS 66 H HIS 66 -9.587 -3.304 -3.864 537 HA HIS 66 HA HIS 66 -9.249 -3.787 -0.936 538 1HB HIS 66 2HB HIS 66 -10.478 -5.652 -2.985 539 2HB HIS 66 1HB HIS 66 -10.575 -5.778 -1.230 540 HD1 HIS 66 HD1 HIS 66 -11.671 -3.405 -0.124 541 HD2 HIS 66 HD2 HIS 66 -12.735 -4.456 -4.015 542 HE1 HIS 66 HE1 HIS 66 -13.817 -2.163 -0.640 543 H LYS 67 H LYS 67 -7.662 -5.181 -0.218 544 HA LYS 67 HA LYS 67 -5.745 -6.162 -2.267 545 1HB LYS 67 2HB LYS 67 -4.152 -6.408 -0.419 546 2HB LYS 67 1HB LYS 67 -4.835 -4.786 -0.410 547 1HG LYS 67 2HG LYS 67 -6.572 -5.775 1.267 548 2HG LYS 67 1HG LYS 67 -5.405 -7.081 1.460 549 1HD LYS 67 2HD LYS 67 -4.536 -4.203 1.673 550 2HD LYS 67 1HD LYS 67 -5.240 -5.035 3.060 551 1HE LYS 67 2HE LYS 67 -3.077 -5.664 3.441 552 2HE LYS 67 1HE LYS 67 -3.445 -6.904 2.244 553 1HZ LYS 67 3HZ LYS 67 -2.600 -5.419 0.520 554 2HZ LYS 67 2HZ LYS 67 -2.212 -4.257 1.697 555 3HZ LYS 67 1HZ LYS 67 -1.411 -5.755 1.682 556 H VAL 68 H VAL 68 -4.685 -8.352 -1.649 557 HA VAL 68 HA VAL 68 -6.742 -10.364 -1.626 558 HB VAL 68 HB VAL 68 -4.819 -11.964 -1.416 559 1HG1 VAL 68 1HG1 VAL 68 -5.432 -10.165 -3.539 560 2HG1 VAL 68 3HG1 VAL 68 -3.676 -10.327 -3.490 561 3HG1 VAL 68 2HG1 VAL 68 -4.690 -11.759 -3.652 562 1HG2 VAL 68 3HG2 VAL 68 -3.535 -10.096 -0.044 563 2HG2 VAL 68 2HG2 VAL 68 -2.640 -11.244 -1.040 564 3HG2 VAL 68 1HG2 VAL 68 -2.962 -9.618 -1.643 565 H GLN 69 H GLN 69 -7.124 -11.973 0.028 566 HA GLN 69 HA GLN 69 -6.661 -10.900 2.762 567 1HB GLN 69 2HB GLN 69 -8.671 -12.882 1.657 568 2HB GLN 69 1HB GLN 69 -8.497 -12.540 3.379 569 1HG GLN 69 2HG GLN 69 -10.103 -10.972 2.891 570 2HG GLN 69 1HG GLN 69 -8.679 -10.016 2.475 571 1HE2 GLN 69 2HE2 GLN 69 -10.688 -11.746 -0.681 572 2HE2 GLN 69 1HE2 GLN 69 -10.522 -12.620 0.764 573 H ASP 70 H ASP 70 -7.412 -14.215 2.972 574 HA ASP 70 HA ASP 70 -4.925 -15.468 2.430 575 1HB ASP 70 2HB ASP 70 -4.066 -15.644 4.792 576 2HB ASP 70 1HB ASP 70 -3.948 -14.020 4.117 577 H VAL 71 H VAL 71 -7.741 -16.068 2.309 578 HA VAL 71 HA VAL 71 -7.711 -18.613 3.819 579 HB VAL 71 HB VAL 71 -10.092 -16.743 3.966 580 1HG1 VAL 71 3HG1 VAL 71 -10.138 -19.397 4.199 581 2HG1 VAL 71 2HG1 VAL 71 -9.575 -19.024 5.828 582 3HG1 VAL 71 1HG1 VAL 71 -11.109 -18.371 5.254 583 1HG2 VAL 71 3HG2 VAL 71 -7.848 -17.263 5.936 584 2HG2 VAL 71 2HG2 VAL 71 -8.351 -15.711 5.266 585 3HG2 VAL 71 1HG2 VAL 71 -9.394 -16.558 6.408 586 H LYS 72 H LYS 72 -9.891 -16.595 1.813 587 HA LYS 72 HA LYS 72 -10.995 -18.906 0.448 588 1HB LYS 72 2HB LYS 72 -11.094 -15.976 -0.334 589 2HB LYS 72 1HB LYS 72 -12.131 -17.256 -0.966 590 1HG LYS 72 2HG LYS 72 -12.626 -17.657 1.613 591 2HG LYS 72 1HG LYS 72 -12.146 -15.963 1.731 592 1HD LYS 72 2HD LYS 72 -13.776 -15.699 -0.343 593 2HD LYS 72 1HD LYS 72 -14.488 -17.174 0.309 594 1HE LYS 72 2HE LYS 72 -13.943 -15.192 2.394 595 2HE LYS 72 1HE LYS 72 -15.048 -14.585 1.161 596 1HZ LYS 72 2HZ LYS 72 -16.390 -16.583 1.445 597 2HZ LYS 72 1HZ LYS 72 -15.339 -17.131 2.661 598 3HZ LYS 72 3HZ LYS 72 -16.252 -15.722 2.903 599 H SER 73 H SER 73 -8.964 -16.197 -0.736 600 HA SER 73 HA SER 73 -8.149 -17.846 -3.048 601 1HB SER 73 2HB SER 73 -7.109 -15.085 -2.432 602 2HB SER 73 1HB SER 73 -7.316 -15.860 -4.000 603 HG SER 73 HG SER 73 -9.560 -15.718 -3.698 604 H GLY 74 H GLY 74 -7.182 -19.216 -1.060 605 1HA GLY 74 2HA GLY 74 -4.439 -19.439 -1.345 606 2HA GLY 74 1HA GLY 74 -4.630 -18.284 -0.025 607 H SER 75 H SER 75 -4.659 -21.598 -0.870 608 HA SER 75 HA SER 75 -6.167 -22.496 1.479 609 1HB SER 75 2HB SER 75 -5.101 -24.761 0.714 610 2HB SER 75 1HB SER 75 -6.339 -24.018 -0.294 611 HG SER 75 HG SER 75 -4.093 -24.732 -1.158 612 H MET 76 H MET 76 -2.771 -22.260 0.480 613 HA MET 76 HA MET 76 -2.011 -22.802 3.319 614 1HB MET 76 2HB MET 76 0.310 -23.352 2.162 615 2HB MET 76 1HB MET 76 -0.952 -24.572 2.271 616 1HG MET 76 2HG MET 76 -0.102 -24.605 0.015 617 2HG MET 76 1HG MET 76 -1.707 -23.880 -0.041 618 1HE MET 76 2HE MET 76 -0.132 -23.931 -2.154 619 2HE MET 76 1HE MET 76 -0.606 -22.344 -2.757 620 3HE MET 76 3HE MET 76 1.103 -22.729 -2.523 621 H LEU 77 H LEU 77 -2.209 -20.372 1.013 622 HA LEU 77 HA LEU 77 0.254 -18.961 1.793 623 1HB LEU 77 2HB LEU 77 -1.398 -18.893 -0.447 624 2HB LEU 77 1HB LEU 77 -1.798 -17.393 0.386 625 HG LEU 77 HG LEU 77 1.067 -18.231 -0.093 626 1HD1 LEU 77 2HD1 LEU 77 -0.599 -17.885 -2.177 627 2HD1 LEU 77 1HD1 LEU 77 -0.230 -16.193 -1.842 628 3HD1 LEU 77 3HD1 LEU 77 1.073 -17.325 -2.209 629 1HD2 LEU 77 3HD2 LEU 77 0.429 -16.433 1.597 630 2HD2 LEU 77 2HD2 LEU 77 1.538 -15.912 0.329 631 3HD2 LEU 77 1HD2 LEU 77 -0.170 -15.483 0.238 632 H SER 78 H SER 78 0.340 -17.634 3.555 633 HA SER 78 HA SER 78 -2.251 -16.629 4.669 634 1HB SER 78 2HB SER 78 -1.379 -16.898 6.886 635 2HB SER 78 1HB SER 78 -1.050 -18.405 6.037 636 HG SER 78 HG SER 78 0.697 -16.303 6.723 637 H ASN 79 H ASN 79 1.269 -15.969 4.585 638 HA ASN 79 HA ASN 79 0.587 -13.054 4.553 639 1HB ASN 79 2HB ASN 79 2.795 -14.527 5.991 640 2HB ASN 79 1HB ASN 79 2.934 -12.809 5.616 641 1HD2 ASN 79 2HD2 ASN 79 0.314 -11.855 7.899 642 2HD2 ASN 79 1HD2 ASN 79 1.052 -11.406 6.437 643 H ASN 80 H ASN 80 2.375 -11.744 3.494 644 HA ASN 80 HA ASN 80 4.243 -13.078 1.724 645 1HB ASN 80 2HB ASN 80 3.159 -12.328 -0.401 646 2HB ASN 80 1HB ASN 80 2.222 -13.559 0.448 647 1HD2 ASN 80 2HD2 ASN 80 0.573 -9.945 -0.220 648 2HD2 ASN 80 1HD2 ASN 80 2.069 -10.396 -0.882 649 H ASP 81 H ASP 81 5.897 -11.663 1.778 650 HA ASP 81 HA ASP 81 5.268 -8.739 1.835 651 1HB ASP 81 2HB ASP 81 7.528 -8.498 2.891 652 2HB ASP 81 1HB ASP 81 6.408 -9.452 3.864 653 H SER 82 H SER 82 7.035 -7.391 0.815 654 HA SER 82 HA SER 82 8.564 -6.869 -0.891 655 1HB SER 82 2HB SER 82 8.527 -9.705 -1.905 656 2HB SER 82 1HB SER 82 9.807 -8.501 -2.032 657 HG SER 82 HG SER 82 10.525 -9.146 -0.172 658 H ARG 83 H ARG 83 6.515 -9.484 -2.247 659 HA ARG 83 HA ARG 83 5.767 -7.635 -4.435 660 1HB ARG 83 2HB ARG 83 4.786 -9.666 -5.482 661 2HB ARG 83 1HB ARG 83 6.491 -9.873 -5.092 662 1HG ARG 83 2HG ARG 83 5.981 -11.681 -3.854 663 2HG ARG 83 1HG ARG 83 5.020 -10.667 -2.784 664 1HD ARG 83 2HD ARG 83 3.093 -11.511 -3.595 665 2HD ARG 83 1HD ARG 83 3.591 -11.216 -5.261 666 HE ARG 83 HE ARG 83 5.053 -13.450 -4.521 667 1HH1 ARG 83 1HH2 ARG 83 2.864 -14.165 -2.662 668 2HH1 ARG 83 2HH2 ARG 83 1.773 -15.049 -3.675 669 1HH2 ARG 83 2HH1 ARG 83 3.161 -13.888 -6.634 670 2HH2 ARG 83 1HH1 ARG 83 1.942 -14.894 -5.924 671 H TRP 84 H TRP 84 4.024 -6.387 -4.027 672 HA TRP 84 HA TRP 84 1.801 -7.522 -2.389 673 1HB TRP 84 2HB TRP 84 2.604 -4.658 -2.977 674 2HB TRP 84 1HB TRP 84 1.123 -5.104 -2.130 675 HD1 TRP 84 HD1 TRP 84 4.865 -6.080 -1.817 676 HE1 TRP 84 HE1 TRP 84 5.477 -6.099 0.688 677 HE3 TRP 84 HE3 TRP 84 0.357 -4.782 0.205 678 HZ2 TRP 84 HZ2 TRP 84 4.223 -5.627 3.212 679 HZ3 TRP 84 HZ3 TRP 84 0.095 -4.574 2.661 680 HH2 TRP 84 HH2 TRP 84 2.021 -4.993 4.165 681 H GLU 85 H GLU 85 -0.422 -6.685 -3.107 682 HA GLU 85 HA GLU 85 -0.653 -6.043 -5.973 683 1HB GLU 85 2HB GLU 85 -1.188 -8.734 -4.827 684 2HB GLU 85 1HB GLU 85 -2.390 -8.114 -5.959 685 1HG GLU 85 2HG GLU 85 -0.238 -7.496 -7.384 686 2HG GLU 85 1HG GLU 85 0.487 -8.793 -6.432 687 H PHE 86 H PHE 86 -2.237 -4.534 -6.064 688 HA PHE 86 HA PHE 86 -4.453 -4.690 -4.055 689 1HB PHE 86 2HB PHE 86 -3.752 -2.172 -5.558 690 2HB PHE 86 1HB PHE 86 -4.598 -2.338 -4.025 691 HD1 PHE 86 HD2 PHE 86 -2.697 -4.273 -2.643 692 HD2 PHE 86 HD1 PHE 86 -1.972 -0.728 -4.962 693 HE1 PHE 86 HE2 PHE 86 -0.551 -3.926 -1.449 694 HE2 PHE 86 HE1 PHE 86 0.171 -0.384 -3.765 695 HZ PHE 86 HZ PHE 86 0.881 -1.984 -2.008 696 H GLU 87 H GLU 87 -6.277 -5.442 -5.020 697 HA GLU 87 HA GLU 87 -6.720 -4.720 -7.885 698 1HB GLU 87 2HB GLU 87 -8.030 -6.774 -8.098 699 2HB GLU 87 1HB GLU 87 -6.423 -7.151 -7.480 700 1HG GLU 87 2HG GLU 87 -7.640 -6.852 -5.128 701 2HG GLU 87 1HG GLU 87 -9.068 -7.252 -6.080 702 H ASN 88 H ASN 88 -8.412 -3.449 -8.317 703 HA ASN 88 HA ASN 88 -10.662 -3.313 -6.347 704 1HB ASN 88 2HB ASN 88 -9.027 -1.252 -6.567 705 2HB ASN 88 1HB ASN 88 -9.908 -0.961 -8.064 706 1HD2 ASN 88 2HD2 ASN 88 -11.809 0.897 -5.512 707 2HD2 ASN 88 1HD2 ASN 88 -10.323 1.033 -6.320 708 H GLU 89 H GLU 89 -9.791 -2.273 -9.627 709 HA GLU 89 HA GLU 89 -10.881 -2.531 -11.681 710 1HB GLU 89 2HB GLU 89 -10.991 -4.995 -10.505 711 2HB GLU 89 1HB GLU 89 -12.708 -4.662 -10.738 712 1HG GLU 89 2HG GLU 89 -11.756 -3.858 -13.144 713 2HG GLU 89 1HG GLU 89 -10.575 -5.111 -12.757 714 H ARG 90 H ARG 90 -12.062 -0.859 -9.457 715 HA ARG 90 HA ARG 90 -13.985 0.420 -9.107 716 1HB ARG 90 2HB ARG 90 -13.672 0.947 -11.481 717 2HB ARG 90 1HB ARG 90 -14.556 -0.502 -11.946 718 1HG ARG 90 2HG ARG 90 -16.595 0.417 -11.440 719 2HG ARG 90 1HG ARG 90 -15.956 1.334 -10.075 720 1HD ARG 90 2HD ARG 90 -15.493 2.012 -12.994 721 2HD ARG 90 1HD ARG 90 -16.654 2.819 -11.939 722 HE ARG 90 HE ARG 90 -14.160 2.975 -10.638 723 1HH1 ARG 90 1HH2 ARG 90 -13.650 3.245 -13.742 724 2HH1 ARG 90 2HH2 ARG 90 -13.540 4.970 -13.856 725 1HH2 ARG 90 2HH1 ARG 90 -14.874 5.530 -10.705 726 2HH2 ARG 90 1HH1 ARG 90 -14.234 6.262 -12.138 727 H HIS 91 H HIS 91 -15.795 -1.806 -11.210 728 HA HIS 91 HA HIS 91 -16.913 -3.157 -8.814 729 1HB HIS 91 2HB HIS 91 -18.296 -1.103 -9.519 730 2HB HIS 91 1HB HIS 91 -18.705 -2.024 -10.966 731 HD1 HIS 91 HD1 HIS 91 -20.545 -3.723 -10.751 732 HD2 HIS 91 HD2 HIS 91 -19.124 -2.482 -7.034 733 HE1 HIS 91 HE1 HIS 91 -22.071 -4.760 -9.017 734 H ALA 92 HN ALA 92 -16.949 -5.307 -9.211 735 HA ALA 92 HA ALA 92 -17.362 -6.230 -12.021 736 1HB ALA 92 1HB ALA 92 -15.330 -7.280 -10.030 737 2HB ALA 92 3HB ALA 92 -15.722 -8.067 -11.557 738 3HB ALA 92 2HB ALA 92 -14.983 -6.467 -11.555 No H/Q in entry = 738 Start of MODEL 15 Raw file had 756 H/Q atoms Start of MODEL 15 1 1H ALA 1 3H ALA 1 -17.838 13.585 -6.684 2 2H ALA 1 2H ALA 1 -17.929 12.311 -7.806 3 3H ALA 1 1H ALA 1 -18.660 12.157 -6.281 4 HA ALA 1 HA ALA 1 -16.685 11.843 -5.182 5 1HB ALA 1 1HB ALA 1 -16.644 10.651 -7.936 6 2HB ALA 1 3HB ALA 1 -15.252 10.419 -6.880 7 3HB ALA 1 2HB ALA 1 -16.843 9.850 -6.377 8 H ARG 2 H ARG 2 -14.808 12.844 -4.647 9 HA ARG 2 HA ARG 2 -12.983 13.909 -6.662 10 1HB ARG 2 2HB ARG 2 -13.115 16.260 -5.835 11 2HB ARG 2 1HB ARG 2 -14.603 15.736 -6.623 12 1HG ARG 2 2HG ARG 2 -14.894 15.008 -3.909 13 2HG ARG 2 1HG ARG 2 -14.198 16.627 -3.892 14 1HD ARG 2 2HD ARG 2 -16.517 15.993 -5.705 15 2HD ARG 2 1HD ARG 2 -16.791 16.388 -4.008 16 HE ARG 2 HE ARG 2 -15.261 18.477 -4.703 17 1HH1 ARG 2 2HH1 ARG 2 -16.294 17.254 -7.497 18 2HH1 ARG 2 1HH1 ARG 2 -17.436 18.495 -7.899 19 1HH2 ARG 2 1HH2 ARG 2 -17.373 19.936 -4.745 20 2HH2 ARG 2 2HH2 ARG 2 -18.046 20.014 -6.339 21 HA PRO 3 HA PRO 3 -11.220 13.001 -2.521 22 1HB PRO 3 2HB PRO 3 -9.905 10.657 -3.057 23 2HB PRO 3 1HB PRO 3 -11.574 10.725 -2.463 24 1HG PRO 3 2HG PRO 3 -10.576 10.093 -5.194 25 2HG PRO 3 1HG PRO 3 -12.085 9.601 -4.407 26 1HD PRO 3 2HD PRO 3 -11.798 11.661 -6.325 27 2HD PRO 3 1HD PRO 3 -13.225 11.359 -5.314 28 H ALA 4 H ALA 4 -9.322 14.063 -2.159 29 HA ALA 4 HA ALA 4 -7.525 14.778 -4.288 30 1HB ALA 4 3HB ALA 4 -7.985 15.924 -1.963 31 2HB ALA 4 2HB ALA 4 -6.698 14.857 -1.401 32 3HB ALA 4 1HB ALA 4 -6.378 16.025 -2.684 33 H PHE 5 H PHE 5 -7.656 12.060 -2.099 34 HA PHE 5 HA PHE 5 -4.877 11.307 -2.288 35 1HB PHE 5 2HB PHE 5 -6.381 10.472 -0.502 36 2HB PHE 5 1HB PHE 5 -7.302 9.583 -1.713 37 HD1 PHE 5 HD2 PHE 5 -3.904 9.911 -0.195 38 HD2 PHE 5 HD1 PHE 5 -6.582 7.459 -2.492 39 HE1 PHE 5 HE2 PHE 5 -2.301 8.022 -0.051 40 HE2 PHE 5 HE1 PHE 5 -4.980 5.572 -2.346 41 HZ PHE 5 HZ PHE 5 -2.839 5.852 -1.127 42 H VAL 6 H VAL 6 -7.799 10.328 -4.117 43 HA VAL 6 HA VAL 6 -6.307 8.467 -5.776 44 HB VAL 6 HB VAL 6 -8.972 9.711 -6.492 45 1HG1 VAL 6 2HG1 VAL 6 -7.600 8.232 -8.104 46 2HG1 VAL 6 1HG1 VAL 6 -7.940 6.909 -6.992 47 3HG1 VAL 6 3HG1 VAL 6 -9.267 7.741 -7.800 48 1HG2 VAL 6 2HG2 VAL 6 -8.327 7.437 -4.589 49 2HG2 VAL 6 1HG2 VAL 6 -9.239 8.903 -4.231 50 3HG2 VAL 6 3HG2 VAL 6 -9.923 7.676 -5.297 51 H ASN 7 H ASN 7 -7.069 11.896 -5.941 52 HA ASN 7 HA ASN 7 -6.445 12.289 -8.730 53 1HB ASN 7 2HB ASN 7 -6.005 14.236 -6.438 54 2HB ASN 7 1HB ASN 7 -6.153 14.643 -8.148 55 1HD2 ASN 7 2HD2 ASN 7 -9.726 13.493 -8.023 56 2HD2 ASN 7 1HD2 ASN 7 -8.345 12.966 -8.858 57 H LYS 8 H LYS 8 -4.542 12.365 -5.755 58 HA LYS 8 HA LYS 8 -2.001 12.910 -7.032 59 1HB LYS 8 2HB LYS 8 -2.149 13.455 -4.723 60 2HB LYS 8 1HB LYS 8 -2.886 11.912 -4.315 61 1HG LYS 8 2HG LYS 8 -0.238 11.557 -5.509 62 2HG LYS 8 1HG LYS 8 -0.174 12.576 -4.072 63 1HD LYS 8 2HD LYS 8 -1.057 10.897 -2.682 64 2HD LYS 8 1HD LYS 8 -1.751 10.007 -4.039 65 1HE LYS 8 2HE LYS 8 0.224 8.822 -3.242 66 2HE LYS 8 1HE LYS 8 0.564 9.502 -4.834 67 1HZ LYS 8 1HZ LYS 8 1.199 11.015 -2.383 68 2HZ LYS 8 3HZ LYS 8 2.269 9.835 -2.968 69 3HZ LYS 8 2HZ LYS 8 1.865 11.171 -3.939 70 H LEU 9 H LEU 9 -3.939 10.059 -6.423 71 HA LEU 9 HA LEU 9 -1.952 8.037 -6.655 72 1HB LEU 9 2HB LEU 9 -4.363 7.749 -5.935 73 2HB LEU 9 1HB LEU 9 -4.814 7.880 -7.633 74 HG LEU 9 HG LEU 9 -3.065 5.997 -8.012 75 1HD1 LEU 9 2HD1 LEU 9 -2.542 6.372 -5.367 76 2HD1 LEU 9 1HD1 LEU 9 -3.734 5.076 -5.270 77 3HD1 LEU 9 3HD1 LEU 9 -2.256 4.847 -6.203 78 1HD2 LEU 9 3HD2 LEU 9 -5.806 5.803 -6.796 79 2HD2 LEU 9 2HD2 LEU 9 -5.287 5.421 -8.438 80 3HD2 LEU 9 1HD2 LEU 9 -4.900 4.324 -7.112 81 H TRP 10 H TRP 10 -3.827 9.806 -9.087 82 HA TRP 10 HA TRP 10 -2.597 8.297 -11.297 83 1HB TRP 10 2HB TRP 10 -4.573 10.589 -11.190 84 2HB TRP 10 1HB TRP 10 -3.932 9.947 -12.703 85 HD1 TRP 10 HD1 TRP 10 -4.033 6.990 -12.534 86 HE1 TRP 10 HE1 TRP 10 -6.192 5.650 -12.093 87 HE3 TRP 10 HE3 TRP 10 -6.901 10.607 -10.359 88 HZ2 TRP 10 HZ2 TRP 10 -8.788 6.054 -10.983 89 HZ3 TRP 10 HZ3 TRP 10 -9.205 10.097 -9.614 90 HH2 TRP 10 HH2 TRP 10 -10.157 7.834 -9.929 91 H SER 11 H SER 11 -0.450 9.026 -10.445 92 HA SER 11 HA SER 11 0.782 10.926 -12.133 93 1HB SER 11 2HB SER 11 1.383 12.455 -9.983 94 2HB SER 11 1HB SER 11 0.052 12.837 -11.070 95 HG SER 11 HG SER 11 -0.467 12.761 -8.770 96 H MET 12 H MET 12 0.738 9.468 -8.914 97 HA MET 12 HA MET 12 3.662 9.124 -8.856 98 1HB MET 12 2HB MET 12 2.328 9.523 -6.766 99 2HB MET 12 1HB MET 12 1.529 7.971 -7.022 100 1HG MET 12 2HG MET 12 3.544 6.758 -6.707 101 2HG MET 12 1HG MET 12 4.537 8.203 -6.889 102 1HE MET 12 3HE MET 12 1.512 6.840 -5.044 103 2HE MET 12 2HE MET 12 2.809 5.830 -4.413 104 3HE MET 12 1HE MET 12 1.955 6.931 -3.334 105 H VAL 13 H VAL 13 0.734 7.279 -9.580 106 HA VAL 13 HA VAL 13 2.217 4.753 -9.868 107 HB VAL 13 HB VAL 13 -0.599 5.307 -10.835 108 1HG1 VAL 13 2HG1 VAL 13 0.505 3.166 -11.488 109 2HG1 VAL 13 1HG1 VAL 13 0.753 2.803 -9.783 110 3HG1 VAL 13 3HG1 VAL 13 -0.881 2.911 -10.433 111 1HG2 VAL 13 1HG2 VAL 13 -0.270 6.013 -8.422 112 2HG2 VAL 13 3HG2 VAL 13 -1.429 4.704 -8.647 113 3HG2 VAL 13 2HG2 VAL 13 0.199 4.351 -8.069 114 H ASN 14 H ASN 14 2.031 7.510 -11.759 115 HA ASN 14 HA ASN 14 1.577 6.488 -14.381 116 1HB ASN 14 2HB ASN 14 2.785 8.915 -13.192 117 2HB ASN 14 1HB ASN 14 3.353 8.514 -14.814 118 1HD2 ASN 14 2HD2 ASN 14 -0.601 9.504 -14.278 119 2HD2 ASN 14 1HD2 ASN 14 0.309 8.967 -12.950 120 H ASP 15 H ASP 15 4.229 5.981 -12.226 121 HA ASP 15 HA ASP 15 6.171 4.700 -12.498 122 1HB ASP 15 2HB ASP 15 4.505 3.458 -14.158 123 2HB ASP 15 1HB ASP 15 5.557 4.170 -15.382 124 H LYS 16 H LYS 16 5.949 7.597 -13.225 125 HA LYS 16 HA LYS 16 7.924 7.876 -15.406 126 1HB LYS 16 2HB LYS 16 6.374 9.877 -13.745 127 2HB LYS 16 1HB LYS 16 7.604 10.353 -14.916 128 1HG LYS 16 2HG LYS 16 6.380 9.353 -16.730 129 2HG LYS 16 1HG LYS 16 5.252 8.581 -15.618 130 1HD LYS 16 2HD LYS 16 4.175 10.595 -15.103 131 2HD LYS 16 1HD LYS 16 5.553 11.573 -15.614 132 1HE LYS 16 2HE LYS 16 5.135 10.762 -17.973 133 2HE LYS 16 1HE LYS 16 3.634 10.042 -17.389 134 1HZ LYS 16 3HZ LYS 16 3.242 12.403 -16.436 135 2HZ LYS 16 2HZ LYS 16 4.375 12.879 -17.610 136 3HZ LYS 16 1HZ LYS 16 2.938 12.102 -18.076 137 H SER 17 H SER 17 7.839 9.714 -12.351 138 HA SER 17 HA SER 17 10.705 9.784 -12.130 139 1HB SER 17 2HB SER 17 8.398 10.527 -10.387 140 2HB SER 17 1HB SER 17 9.959 10.309 -9.603 141 HG SER 17 HG SER 17 9.088 12.368 -11.051 142 H ASN 18 H ASN 18 8.220 7.659 -10.837 143 HA ASN 18 HA ASN 18 10.324 6.018 -9.495 144 1HB ASN 18 2HB ASN 18 8.257 4.854 -8.467 145 2HB ASN 18 1HB ASN 18 8.615 6.487 -7.910 146 1HD2 ASN 18 2HD2 ASN 18 5.578 7.828 -9.111 147 2HD2 ASN 18 1HD2 ASN 18 7.013 8.093 -8.252 148 H GLU 19 H GLU 19 10.285 5.906 -12.229 149 HA GLU 19 HA GLU 19 8.597 3.954 -13.407 150 1HB GLU 19 2HB GLU 19 10.116 5.597 -14.587 151 2HB GLU 19 1HB GLU 19 11.453 4.516 -14.204 152 1HG GLU 19 2HG GLU 19 10.316 2.679 -15.397 153 2HG GLU 19 1HG GLU 19 8.976 3.759 -15.781 154 H LYS 20 H LYS 20 11.408 3.572 -11.354 155 HA LYS 20 HA LYS 20 11.435 0.657 -12.007 156 1HB LYS 20 2HB LYS 20 13.682 0.614 -10.987 157 2HB LYS 20 1HB LYS 20 13.595 1.773 -12.310 158 1HG LYS 20 2HG LYS 20 12.839 3.236 -10.031 159 2HG LYS 20 1HG LYS 20 14.180 2.230 -9.492 160 1HD LYS 20 2HD LYS 20 15.693 3.406 -10.699 161 2HD LYS 20 1HD LYS 20 14.662 3.431 -12.127 162 1HE LYS 20 2HE LYS 20 13.270 5.203 -10.920 163 2HE LYS 20 1HE LYS 20 14.589 5.305 -9.756 164 1HZ LYS 20 2HZ LYS 20 16.042 5.583 -11.842 165 2HZ LYS 20 1HZ LYS 20 14.589 5.997 -12.619 166 3HZ LYS 20 3HZ LYS 20 15.134 6.912 -11.299 167 H PHE 21 H PHE 21 9.450 1.893 -10.202 168 HA PHE 21 HA PHE 21 10.144 0.313 -7.762 169 1HB PHE 21 2HB PHE 21 8.822 3.043 -7.809 170 2HB PHE 21 1HB PHE 21 9.030 2.041 -6.372 171 HD1 PHE 21 HD1 PHE 21 11.619 1.007 -6.327 172 HD2 PHE 21 HD2 PHE 21 10.364 4.777 -7.950 173 HE1 PHE 21 HE1 PHE 21 13.917 1.899 -6.042 174 HE2 PHE 21 HE2 PHE 21 12.658 5.669 -7.667 175 HZ PHE 21 HZ PHE 21 14.436 4.227 -6.713 176 H ILE 22 H ILE 22 7.310 2.221 -8.817 177 HA ILE 22 HA ILE 22 5.622 -0.187 -8.320 178 HB ILE 22 HB ILE 22 4.992 1.865 -7.115 179 1HG1 ILE 22 2HG1 ILE 22 2.967 1.484 -9.327 180 2HG1 ILE 22 1HG1 ILE 22 3.256 0.236 -8.113 181 1HG2 ILE 22 2HG2 ILE 22 5.352 3.037 -9.804 182 2HG2 ILE 22 1HG2 ILE 22 3.940 3.619 -8.924 183 3HG2 ILE 22 3HG2 ILE 22 5.547 3.774 -8.215 184 1HD1 ILE 22 2HD1 ILE 22 2.995 2.338 -6.466 185 2HD1 ILE 22 1HD1 ILE 22 2.008 2.927 -7.805 186 3HD1 ILE 22 3HD1 ILE 22 1.603 1.404 -7.015 187 H HIS 23 H HIS 23 3.826 -0.548 -9.916 188 HA HIS 23 HA HIS 23 3.963 0.618 -12.563 189 1HB HIS 23 2HB HIS 23 6.003 -1.003 -12.379 190 2HB HIS 23 1HB HIS 23 4.790 -2.280 -12.484 191 HD1 HIS 23 HD1 HIS 23 6.931 -0.448 -14.617 192 HD2 HIS 23 HD2 HIS 23 2.919 -1.552 -14.871 193 HE1 HIS 23 HE1 HIS 23 6.301 -0.302 -17.065 194 H TRP 24 H TRP 24 2.050 0.139 -13.663 195 HA TRP 24 HA TRP 24 -0.138 -0.964 -12.234 196 1HB TRP 24 2HB TRP 24 0.296 -0.514 -15.194 197 2HB TRP 24 1HB TRP 24 -1.239 -1.077 -14.531 198 HD1 TRP 24 HD1 TRP 24 1.201 1.893 -14.214 199 HE1 TRP 24 HE1 TRP 24 -0.144 3.974 -13.497 200 HE3 TRP 24 HE3 TRP 24 -3.404 -0.215 -13.554 201 HZ2 TRP 24 HZ2 TRP 24 -2.820 4.654 -12.749 202 HZ3 TRP 24 HZ3 TRP 24 -5.331 1.170 -12.840 203 HH2 TRP 24 HH2 TRP 24 -5.045 3.600 -12.437 204 H SER 25 H SER 25 -1.472 -2.885 -13.296 205 HA SER 25 HA SER 25 0.186 -5.261 -12.993 206 1HB SER 25 2HB SER 25 -2.503 -4.682 -12.617 207 2HB SER 25 1HB SER 25 -2.515 -5.701 -14.051 208 HG SER 25 HG SER 25 -1.654 -7.326 -12.922 209 H THR 26 H THR 26 -2.146 -4.546 -15.614 210 HA THR 26 HA THR 26 -0.150 -5.700 -17.521 211 HB THR 26 HB THR 26 -3.163 -5.573 -17.852 212 HG1 THR 26 HG1 THR 26 -2.795 -6.998 -16.242 213 1HG2 THR 26 1HG2 THR 26 -1.512 -5.733 -19.864 214 2HG2 THR 26 3HG2 THR 26 -1.242 -7.382 -19.299 215 3HG2 THR 26 2HG2 THR 26 -2.859 -6.868 -19.783 216 H SER 27 H SER 27 -3.035 -3.596 -17.787 217 HA SER 27 HA SER 27 -1.330 -1.624 -19.249 218 1HB SER 27 2HB SER 27 -2.976 -3.111 -20.652 219 2HB SER 27 1HB SER 27 -4.216 -2.059 -19.975 220 HG SER 27 HG SER 27 -2.918 -1.521 -22.060 221 H GLY 28 H GLY 28 -4.615 -1.989 -17.872 222 1HA GLY 28 2HA GLY 28 -4.158 0.345 -16.132 223 2HA GLY 28 1HA GLY 28 -5.411 0.544 -17.358 224 H GLU 29 H GLU 29 -4.419 -1.636 -14.711 225 HA GLU 29 HA GLU 29 -6.980 -1.688 -13.484 226 1HB GLU 29 2HB GLU 29 -7.644 -4.038 -14.077 227 2HB GLU 29 1HB GLU 29 -7.756 -2.914 -15.432 228 1HG GLU 29 2HG GLU 29 -5.348 -3.664 -16.001 229 2HG GLU 29 1HG GLU 29 -5.653 -5.014 -14.908 230 H SER 30 H SER 30 -6.294 -1.989 -11.449 231 HA SER 30 HA SER 30 -5.307 -2.998 -9.575 232 1HB SER 30 2HB SER 30 -4.202 -5.216 -11.275 233 2HB SER 30 1HB SER 30 -4.788 -5.276 -9.617 234 HG SER 30 HG SER 30 -6.574 -5.932 -10.510 235 H ILE 31 H ILE 31 -3.184 -3.175 -8.618 236 HA ILE 31 HA ILE 31 -0.975 -2.261 -10.419 237 HB ILE 31 HB ILE 31 -1.418 -1.454 -7.524 238 1HG1 ILE 31 2HG1 ILE 31 -1.733 0.236 -10.022 239 2HG1 ILE 31 1HG1 ILE 31 -3.089 -0.537 -9.203 240 1HG2 ILE 31 1HG2 ILE 31 0.754 -1.068 -9.514 241 2HG2 ILE 31 3HG2 ILE 31 0.297 0.364 -8.591 242 3HG2 ILE 31 2HG2 ILE 31 0.833 -1.093 -7.752 243 1HD1 ILE 31 3HD1 ILE 31 -1.664 0.754 -7.155 244 2HD1 ILE 31 2HD1 ILE 31 -1.672 1.899 -8.496 245 3HD1 ILE 31 1HD1 ILE 31 -3.194 1.273 -7.864 246 H VAL 32 H VAL 32 1.127 -3.047 -9.873 247 HA VAL 32 HA VAL 32 1.138 -5.357 -7.974 248 HB VAL 32 HB VAL 32 2.763 -5.082 -10.520 249 1HG1 VAL 32 3HG1 VAL 32 2.540 -7.115 -8.331 250 2HG1 VAL 32 2HG1 VAL 32 2.854 -7.674 -9.973 251 3HG1 VAL 32 1HG1 VAL 32 3.971 -6.555 -9.194 252 1HG2 VAL 32 3HG2 VAL 32 0.224 -5.364 -10.782 253 2HG2 VAL 32 2HG2 VAL 32 1.230 -6.585 -11.561 254 3HG2 VAL 32 1HG2 VAL 32 0.431 -6.946 -10.031 255 H VAL 33 H VAL 33 2.950 -5.541 -6.643 256 HA VAL 33 HA VAL 33 4.929 -3.298 -6.790 257 HB VAL 33 HB VAL 33 3.788 -4.649 -4.316 258 1HG1 VAL 33 1HG1 VAL 33 6.262 -3.291 -4.689 259 2HG1 VAL 33 3HG1 VAL 33 5.208 -2.188 -3.804 260 3HG1 VAL 33 2HG1 VAL 33 5.532 -3.800 -3.168 261 1HG2 VAL 33 2HG2 VAL 33 2.309 -3.016 -5.608 262 2HG2 VAL 33 1HG2 VAL 33 2.614 -2.597 -3.922 263 3HG2 VAL 33 3HG2 VAL 33 3.492 -1.769 -5.209 264 HA PRO 34 HA PRO 34 7.179 -7.260 -7.202 265 1HB PRO 34 2HB PRO 34 9.394 -6.188 -8.416 266 2HB PRO 34 1HB PRO 34 7.959 -6.731 -9.305 267 1HG PRO 34 2HG PRO 34 8.861 -3.959 -8.716 268 2HG PRO 34 1HG PRO 34 7.855 -4.555 -10.047 269 1HD PRO 34 2HD PRO 34 6.930 -3.228 -7.727 270 2HD PRO 34 1HD PRO 34 5.930 -4.097 -8.905 271 H ASN 35 H ASN 35 8.102 -4.101 -5.985 272 HA ASN 35 HA ASN 35 9.648 -5.415 -3.825 273 1HB ASN 35 2HB ASN 35 10.811 -3.846 -5.984 274 2HB ASN 35 1HB ASN 35 11.107 -3.074 -4.427 275 1HD2 ASN 35 2HD2 ASN 35 12.836 -6.080 -3.170 276 2HD2 ASN 35 1HD2 ASN 35 11.589 -5.050 -2.658 277 H ARG 36 H ARG 36 8.193 -4.808 -2.248 278 HA ARG 36 HA ARG 36 6.970 -2.165 -2.181 279 1HB ARG 36 2HB ARG 36 5.982 -4.333 -1.241 280 2HB ARG 36 1HB ARG 36 7.116 -4.151 0.097 281 1HG ARG 36 2HG ARG 36 6.016 -1.634 -0.042 282 2HG ARG 36 1HG ARG 36 4.646 -2.651 -0.490 283 1HD ARG 36 2HD ARG 36 4.549 -2.496 1.883 284 2HD ARG 36 1HD ARG 36 5.244 -4.085 1.556 285 HE ARG 36 HE ARG 36 7.470 -2.485 1.792 286 1HH1 ARG 36 2HH1 ARG 36 5.379 -4.133 3.797 287 2HH1 ARG 36 1HH1 ARG 36 5.823 -3.305 5.253 288 1HH2 ARG 36 1HH2 ARG 36 7.744 -0.918 3.622 289 2HH2 ARG 36 2HH2 ARG 36 7.164 -1.483 5.153 290 H GLU 37 H GLU 37 9.662 -3.771 -0.556 291 HA GLU 37 HA GLU 37 10.181 -1.693 1.361 292 1HB GLU 37 2HB GLU 37 12.435 -2.748 1.547 293 2HB GLU 37 1HB GLU 37 11.124 -3.921 1.663 294 1HG GLU 37 2HG GLU 37 11.445 -4.617 -0.623 295 2HG GLU 37 1HG GLU 37 12.581 -3.301 -0.919 296 H ARG 38 H ARG 38 10.995 -2.073 -2.022 297 HA ARG 38 HA ARG 38 13.016 0.055 -1.991 298 1HB ARG 38 2HB ARG 38 12.752 -2.020 -3.616 299 2HB ARG 38 1HB ARG 38 11.696 -0.920 -4.501 300 1HG ARG 38 2HG ARG 38 13.576 0.782 -4.425 301 2HG ARG 38 1HG ARG 38 14.612 -0.501 -3.802 302 1HD ARG 38 2HD ARG 38 13.352 -1.649 -6.027 303 2HD ARG 38 1HD ARG 38 13.742 -0.006 -6.537 304 HE ARG 38 HE ARG 38 16.002 -1.202 -5.214 305 1HH1 ARG 38 2HH1 ARG 38 14.234 -2.494 -7.736 306 2HH1 ARG 38 1HH1 ARG 38 15.509 -2.432 -8.906 307 1HH2 ARG 38 1HH2 ARG 38 17.630 -0.570 -6.892 308 2HH2 ARG 38 2HH2 ARG 38 17.430 -1.343 -8.429 309 H PHE 39 H PHE 39 9.659 -0.340 -3.077 310 HA PHE 39 HA PHE 39 9.268 2.209 -4.246 311 1HB PHE 39 2HB PHE 39 7.570 0.602 -4.608 312 2HB PHE 39 1HB PHE 39 7.446 0.212 -2.899 313 HD1 PHE 39 HD1 PHE 39 6.483 2.600 -5.542 314 HD2 PHE 39 HD2 PHE 39 6.162 1.615 -1.374 315 HE1 PHE 39 HE1 PHE 39 4.615 4.214 -5.303 316 HE2 PHE 39 HE2 PHE 39 4.296 3.229 -1.134 317 HZ PHE 39 HZ PHE 39 3.522 4.529 -3.099 318 H VAL 40 H VAL 40 8.198 1.256 -0.959 319 HA VAL 40 HA VAL 40 7.578 3.814 0.005 320 HB VAL 40 HB VAL 40 8.800 1.526 1.582 321 1HG1 VAL 40 1HG1 VAL 40 7.434 4.090 2.332 322 2HG1 VAL 40 3HG1 VAL 40 7.181 2.665 3.338 323 3HG1 VAL 40 2HG1 VAL 40 8.810 3.294 3.093 324 1HG2 VAL 40 1HG2 VAL 40 5.931 2.198 0.861 325 2HG2 VAL 40 3HG2 VAL 40 6.832 0.763 0.373 326 3HG2 VAL 40 2HG2 VAL 40 6.391 0.993 2.063 327 H GLN 41 H GLN 41 10.686 2.111 0.513 328 HA GLN 41 HA GLN 41 12.098 4.081 1.860 329 1HB GLN 41 2HB GLN 41 12.805 1.701 1.052 330 2HB GLN 41 1HB GLN 41 13.467 2.565 -0.334 331 1HG GLN 41 2HG GLN 41 15.076 3.635 0.924 332 2HG GLN 41 1HG GLN 41 14.081 3.643 2.380 333 1HE2 GLN 41 2HE2 GLN 41 16.842 1.081 2.724 334 2HE2 GLN 41 1HE2 GLN 41 16.844 2.737 2.352 335 H GLU 42 H GLU 42 11.380 4.073 -1.629 336 HA GLU 42 HA GLU 42 12.663 6.776 -1.726 337 1HB GLU 42 2HB GLU 42 12.882 4.574 -3.792 338 2HB GLU 42 1HB GLU 42 13.422 6.233 -4.048 339 1HG GLU 42 2HG GLU 42 14.416 4.998 -1.554 340 2HG GLU 42 1HG GLU 42 15.001 4.234 -3.031 341 H VAL 43 H VAL 43 9.765 6.026 -1.500 342 HA VAL 43 HA VAL 43 8.857 7.681 -3.766 343 HB VAL 43 HB VAL 43 7.602 4.958 -3.319 344 1HG1 VAL 43 2HG1 VAL 43 6.899 7.360 -4.853 345 2HG1 VAL 43 1HG1 VAL 43 6.939 5.902 -5.843 346 3HG1 VAL 43 3HG1 VAL 43 5.902 5.973 -4.419 347 1HG2 VAL 43 3HG2 VAL 43 9.532 5.921 -5.458 348 2HG2 VAL 43 2HG2 VAL 43 9.824 4.643 -4.280 349 3HG2 VAL 43 1HG2 VAL 43 8.623 4.413 -5.549 350 H LEU 44 H LEU 44 7.958 5.915 -0.793 351 HA LEU 44 HA LEU 44 5.408 7.233 -0.528 352 1HB LEU 44 2HB LEU 44 6.166 5.080 0.625 353 2HB LEU 44 1HB LEU 44 7.010 6.114 1.774 354 HG LEU 44 HG LEU 44 4.833 7.327 2.160 355 1HD1 LEU 44 2HD1 LEU 44 3.990 5.280 0.166 356 2HD1 LEU 44 1HD1 LEU 44 2.876 5.600 1.496 357 3HD1 LEU 44 3HD1 LEU 44 3.377 6.912 0.430 358 1HD2 LEU 44 2HD2 LEU 44 5.686 5.540 3.673 359 2HD2 LEU 44 1HD2 LEU 44 3.924 5.585 3.617 360 3HD2 LEU 44 3HD2 LEU 44 4.804 4.345 2.722 361 HA PRO 45 HA PRO 45 7.568 10.223 2.396 362 1HB PRO 45 2HB PRO 45 10.300 10.433 2.401 363 2HB PRO 45 1HB PRO 45 9.398 9.388 3.513 364 1HG PRO 45 2HG PRO 45 11.005 8.644 1.120 365 2HG PRO 45 1HG PRO 45 10.640 7.693 2.570 366 1HD PRO 45 2HD PRO 45 9.383 7.415 0.061 367 2HD PRO 45 1HD PRO 45 8.815 6.739 1.598 368 H LYS 46 H LYS 46 8.815 9.617 -0.802 369 HA LYS 46 HA LYS 46 9.880 12.234 -1.330 370 1HB LYS 46 2HB LYS 46 9.360 9.785 -2.815 371 2HB LYS 46 1HB LYS 46 8.948 11.206 -3.774 372 1HG LYS 46 2HG LYS 46 11.588 10.777 -2.341 373 2HG LYS 46 1HG LYS 46 11.325 10.554 -4.069 374 1HD LYS 46 2HD LYS 46 10.430 13.007 -4.001 375 2HD LYS 46 1HD LYS 46 11.304 13.107 -2.473 376 1HE LYS 46 2HE LYS 46 13.184 11.929 -4.074 377 2HE LYS 46 1HE LYS 46 12.351 12.968 -5.231 378 1HZ LYS 46 2HZ LYS 46 12.603 14.778 -3.520 379 2HZ LYS 46 1HZ LYS 46 13.685 13.750 -2.708 380 3HZ LYS 46 3HZ LYS 46 14.034 14.272 -4.283 381 H TYR 47 H TYR 47 6.632 10.942 -1.289 382 HA TYR 47 HA TYR 47 5.619 13.466 -2.514 383 1HB TYR 47 2HB TYR 47 4.415 10.718 -2.163 384 2HB TYR 47 1HB TYR 47 3.419 12.122 -2.551 385 HD1 TYR 47 HD2 TYR 47 6.524 10.338 -3.669 386 HD2 TYR 47 HD1 TYR 47 3.175 12.791 -4.785 387 HE1 TYR 47 HE2 TYR 47 7.171 10.144 -6.059 388 HE2 TYR 47 HE1 TYR 47 3.826 12.598 -7.169 389 HH TYR 47 HH TYR 47 5.633 10.388 -8.409 390 H PHE 48 H PHE 48 4.776 11.215 0.154 391 HA PHE 48 HA PHE 48 3.299 13.345 1.537 392 1HB PHE 48 2HB PHE 48 3.957 10.487 2.300 393 2HB PHE 48 1HB PHE 48 2.977 11.570 3.288 394 HD1 PHE 48 HD1 PHE 48 0.874 12.594 2.256 395 HD2 PHE 48 HD2 PHE 48 3.018 9.331 0.466 396 HE1 PHE 48 HE1 PHE 48 -1.115 12.042 0.882 397 HE2 PHE 48 HE2 PHE 48 1.030 8.778 -0.908 398 HZ PHE 48 HZ PHE 48 -1.037 10.134 -0.699 399 H LYS 49 H LYS 49 3.827 13.611 3.983 400 HA LYS 49 HA LYS 49 6.792 13.794 4.318 401 1HB LYS 49 2HB LYS 49 4.917 15.888 4.266 402 2HB LYS 49 1HB LYS 49 5.340 15.673 5.958 403 1HG LYS 49 2HG LYS 49 7.789 15.488 4.607 404 2HG LYS 49 1HG LYS 49 6.934 16.801 3.799 405 1HD LYS 49 2HD LYS 49 6.476 17.811 6.050 406 2HD LYS 49 1HD LYS 49 7.484 16.557 6.772 407 1HE LYS 49 2HE LYS 49 9.201 17.408 4.897 408 2HE LYS 49 1HE LYS 49 8.278 18.897 5.103 409 1HZ LYS 49 1HZ LYS 49 8.660 18.701 7.513 410 2HZ LYS 49 3HZ LYS 49 9.655 17.357 7.233 411 3HZ LYS 49 2HZ LYS 49 10.101 18.883 6.632 412 H HIS 50 H HIS 50 3.729 13.689 6.166 413 HA HIS 50 HA HIS 50 5.209 12.221 8.309 414 1HB HIS 50 2HB HIS 50 2.625 13.801 8.501 415 2HB HIS 50 1HB HIS 50 3.445 12.999 9.841 416 HD1 HIS 50 HD1 HIS 50 6.247 13.790 9.742 417 HD2 HIS 50 HD2 HIS 50 3.278 16.473 8.572 418 HE1 HIS 50 HE1 HIS 50 7.264 16.104 9.909 419 H SER 51 H SER 51 4.872 10.252 6.953 420 HA SER 51 HA SER 51 2.329 8.950 7.684 421 1HB SER 51 2HB SER 51 1.772 8.289 5.431 422 2HB SER 51 1HB SER 51 1.970 10.038 5.437 423 HG SER 51 HG SER 51 3.957 9.806 4.507 424 H ASN 52 H ASN 52 2.576 6.624 6.267 425 HA ASN 52 HA ASN 52 5.297 5.586 6.314 426 1HB ASN 52 2HB ASN 52 4.016 5.650 8.776 427 2HB ASN 52 1HB ASN 52 3.675 4.018 8.204 428 1HD2 ASN 52 2HD2 ASN 52 7.507 5.069 9.172 429 2HD2 ASN 52 1HD2 ASN 52 6.297 6.255 9.072 430 H PHE 53 H PHE 53 5.213 3.134 5.847 431 HA PHE 53 HA PHE 53 3.616 2.601 3.587 432 1HB PHE 53 2HB PHE 53 4.150 0.153 4.076 433 2HB PHE 53 1HB PHE 53 5.539 1.229 3.943 434 HD1 PHE 53 HD1 PHE 53 3.269 -0.436 6.390 435 HD2 PHE 53 HD2 PHE 53 7.029 1.543 5.762 436 HE1 PHE 53 HE1 PHE 53 3.986 -1.074 8.676 437 HE2 PHE 53 HE2 PHE 53 7.745 0.905 8.050 438 HZ PHE 53 HZ PHE 53 6.225 -0.404 9.507 439 H ALA 54 H ALA 54 2.899 2.087 6.992 440 HA ALA 54 HA ALA 54 0.577 0.428 6.621 441 1HB ALA 54 1HB ALA 54 1.991 1.137 8.794 442 2HB ALA 54 3HB ALA 54 0.688 2.318 8.927 443 3HB ALA 54 2HB ALA 54 0.318 0.593 8.905 444 H SER 55 H SER 55 1.024 3.947 6.951 445 HA SER 55 HA SER 55 -1.757 4.635 6.831 446 1HB SER 55 2HB SER 55 0.581 6.310 5.873 447 2HB SER 55 1HB SER 55 -1.002 6.893 6.380 448 HG SER 55 HG SER 55 0.706 6.993 8.001 449 H PHE 56 H PHE 56 0.609 3.841 4.369 450 HA PHE 56 HA PHE 56 -0.770 4.914 2.095 451 1HB PHE 56 2HB PHE 56 1.642 3.984 2.252 452 2HB PHE 56 1HB PHE 56 0.905 2.395 2.062 453 HD1 PHE 56 HD2 PHE 56 0.115 5.713 0.514 454 HD2 PHE 56 HD1 PHE 56 1.318 1.642 -0.113 455 HE1 PHE 56 HE2 PHE 56 0.018 6.065 -1.943 456 HE2 PHE 56 HE1 PHE 56 1.221 1.990 -2.568 457 HZ PHE 56 HZ PHE 56 0.570 4.202 -3.483 458 H VAL 57 H VAL 57 -0.707 1.637 3.478 459 HA VAL 57 HA VAL 57 -2.677 0.515 1.735 460 HB VAL 57 HB VAL 57 -2.052 -0.262 4.604 461 1HG1 VAL 57 2HG1 VAL 57 -3.348 -1.732 2.292 462 2HG1 VAL 57 1HG1 VAL 57 -2.768 -2.534 3.751 463 3HG1 VAL 57 3HG1 VAL 57 -4.070 -1.349 3.855 464 1HG2 VAL 57 3HG2 VAL 57 -0.218 -0.130 2.627 465 2HG2 VAL 57 2HG2 VAL 57 -0.195 -1.392 3.857 466 3HG2 VAL 57 1HG2 VAL 57 -0.901 -1.716 2.274 467 H ARG 58 H ARG 58 -2.942 2.524 4.593 468 HA ARG 58 HA ARG 58 -5.672 1.942 5.255 469 1HB ARG 58 2HB ARG 58 -3.843 3.296 6.553 470 2HB ARG 58 1HB ARG 58 -4.457 4.665 5.628 471 1HG ARG 58 2HG ARG 58 -6.569 4.562 6.616 472 2HG ARG 58 1HG ARG 58 -6.387 2.864 7.058 473 1HD ARG 58 2HD ARG 58 -4.527 3.607 8.637 474 2HD ARG 58 1HD ARG 58 -5.066 5.261 8.343 475 HE ARG 58 HE ARG 58 -6.887 4.835 9.769 476 1HH1 ARG 58 1HH1 ARG 58 -6.235 1.024 10.277 477 2HH1 ARG 58 2HH1 ARG 58 -4.969 2.163 9.959 478 1HH2 ARG 58 1HH2 ARG 58 -8.789 3.260 9.573 479 2HH2 ARG 58 2HH2 ARG 58 -8.398 1.644 10.059 480 H GLN 59 H GLN 59 -4.302 4.716 3.439 481 HA GLN 59 HA GLN 59 -6.761 5.832 2.582 482 1HB GLN 59 2HB GLN 59 -3.962 5.879 1.485 483 2HB GLN 59 1HB GLN 59 -5.274 6.608 0.568 484 1HG GLN 59 2HG GLN 59 -4.177 8.283 1.991 485 2HG GLN 59 1HG GLN 59 -5.843 8.027 2.503 486 1HE2 GLN 59 2HE2 GLN 59 -4.942 6.589 5.638 487 2HE2 GLN 59 1HE2 GLN 59 -6.193 6.765 4.505 488 H LEU 60 H LEU 60 -4.641 3.546 0.830 489 HA LEU 60 HA LEU 60 -6.240 3.233 -1.479 490 1HB LEU 60 2HB LEU 60 -4.394 1.286 -0.084 491 2HB LEU 60 1HB LEU 60 -5.074 1.010 -1.681 492 HG LEU 60 HG LEU 60 -3.575 3.546 -1.049 493 1HD1 LEU 60 2HD1 LEU 60 -2.217 1.425 -0.552 494 2HD1 LEU 60 1HD1 LEU 60 -2.329 1.083 -2.279 495 3HD1 LEU 60 3HD1 LEU 60 -1.520 2.547 -1.720 496 1HD2 LEU 60 1HD2 LEU 60 -4.999 3.341 -3.114 497 2HD2 LEU 60 3HD2 LEU 60 -3.294 3.621 -3.460 498 3HD2 LEU 60 2HD2 LEU 60 -3.973 2.003 -3.630 499 H ASN 61 H ASN 61 -6.556 1.720 1.691 500 HA ASN 61 HA ASN 61 -8.531 -0.228 0.747 501 1HB ASN 61 2HB ASN 61 -7.173 0.408 3.310 502 2HB ASN 61 1HB ASN 61 -8.774 -0.322 3.439 503 1HD2 ASN 61 2HD2 ASN 61 -7.654 -3.519 2.474 504 2HD2 ASN 61 1HD2 ASN 61 -8.933 -2.561 3.047 505 H MET 62 H MET 62 -8.614 3.021 1.991 506 HA MET 62 HA MET 62 -11.441 2.835 2.787 507 1HB MET 62 2HB MET 62 -9.289 4.886 2.951 508 2HB MET 62 1HB MET 62 -10.951 5.471 2.892 509 1HG MET 62 2HG MET 62 -10.023 3.323 4.812 510 2HG MET 62 1HG MET 62 -10.068 5.037 5.226 511 1HE MET 62 1HE MET 62 -11.177 4.344 7.098 512 2HE MET 62 3HE MET 62 -12.384 5.615 6.857 513 3HE MET 62 2HE MET 62 -12.890 3.984 7.290 514 H TYR 63 H TYR 63 -9.729 3.465 -0.133 515 HA TYR 63 HA TYR 63 -12.001 5.041 -1.230 516 1HB TYR 63 2HB TYR 63 -9.221 4.468 -2.284 517 2HB TYR 63 1HB TYR 63 -10.457 5.316 -3.216 518 HD1 TYR 63 HD2 TYR 63 -11.735 7.209 -1.747 519 HD2 TYR 63 HD1 TYR 63 -7.727 5.811 -1.109 520 HE1 TYR 63 HE2 TYR 63 -11.193 9.311 -0.548 521 HE2 TYR 63 HE1 TYR 63 -7.186 7.907 0.098 522 HH TYR 63 HH TYR 63 -8.367 9.676 1.319 523 H GLY 64 H GLY 64 -10.249 1.991 -1.711 524 1HA GLY 64 2HA GLY 64 -12.270 0.344 -2.469 525 2HA GLY 64 1HA GLY 64 -11.993 1.242 -3.961 526 H TRP 65 H TRP 65 -9.049 1.466 -3.239 527 HA TRP 65 HA TRP 65 -8.111 -0.800 -4.707 528 1HB TRP 65 2HB TRP 65 -6.635 1.081 -2.839 529 2HB TRP 65 1HB TRP 65 -5.850 -0.071 -3.920 530 HD1 TRP 65 HD1 TRP 65 -7.428 3.317 -3.829 531 HE1 TRP 65 HE1 TRP 65 -7.387 4.369 -6.182 532 HE3 TRP 65 HE3 TRP 65 -6.022 -0.747 -6.588 533 HZ2 TRP 65 HZ2 TRP 65 -6.834 3.589 -8.877 534 HZ3 TRP 65 HZ3 TRP 65 -5.746 -0.563 -9.045 535 HH2 TRP 65 HH2 TRP 65 -6.150 1.598 -10.190 536 H HIS 66 H HIS 66 -8.598 -2.801 -3.849 537 HA HIS 66 HA HIS 66 -7.744 -3.314 -1.027 538 1HB HIS 66 2HB HIS 66 -9.829 -4.720 -2.725 539 2HB HIS 66 1HB HIS 66 -9.358 -5.219 -1.102 540 HD1 HIS 66 HD1 HIS 66 -11.747 -3.132 -2.816 541 HD2 HIS 66 HD2 HIS 66 -9.773 -2.935 0.851 542 HE1 HIS 66 HE1 HIS 66 -13.051 -1.495 -1.388 543 H LYS 67 H LYS 67 -7.563 -6.032 -1.029 544 HA LYS 67 HA LYS 67 -5.766 -6.774 -3.280 545 1HB LYS 67 2HB LYS 67 -4.214 -7.816 -1.528 546 2HB LYS 67 1HB LYS 67 -4.180 -6.057 -1.649 547 1HG LYS 67 2HG LYS 67 -5.180 -5.759 0.396 548 2HG LYS 67 1HG LYS 67 -6.154 -7.220 0.252 549 1HD LYS 67 2HD LYS 67 -4.518 -7.613 1.980 550 2HD LYS 67 1HD LYS 67 -4.037 -8.561 0.572 551 1HE LYS 67 2HE LYS 67 -2.961 -5.803 0.655 552 2HE LYS 67 1HE LYS 67 -2.359 -6.876 1.915 553 1HZ LYS 67 2HZ LYS 67 -2.376 -8.275 -0.528 554 2HZ LYS 67 1HZ LYS 67 -1.605 -6.782 -0.771 555 3HZ LYS 67 3HZ LYS 67 -1.046 -7.835 0.434 556 H VAL 68 H VAL 68 -7.236 -8.287 -4.047 557 HA VAL 68 HA VAL 68 -7.828 -10.572 -2.210 558 HB VAL 68 HB VAL 68 -9.875 -9.278 -2.750 559 1HG1 VAL 68 2HG1 VAL 68 -8.786 -8.762 -5.153 560 2HG1 VAL 68 1HG1 VAL 68 -9.780 -10.146 -5.599 561 3HG1 VAL 68 3HG1 VAL 68 -10.526 -8.719 -4.882 562 1HG2 VAL 68 1HG2 VAL 68 -9.719 -11.979 -4.123 563 2HG2 VAL 68 3HG2 VAL 68 -10.048 -11.708 -2.411 564 3HG2 VAL 68 2HG2 VAL 68 -11.207 -11.173 -3.628 565 H GLN 69 H GLN 69 -6.751 -12.362 -2.859 566 HA GLN 69 HA GLN 69 -6.842 -13.503 -5.435 567 1HB GLN 69 2HB GLN 69 -4.413 -13.056 -6.137 568 2HB GLN 69 1HB GLN 69 -5.552 -11.735 -6.371 569 1HG GLN 69 2HG GLN 69 -4.378 -10.394 -4.991 570 2HG GLN 69 1HG GLN 69 -4.427 -11.596 -3.704 571 1HE2 GLN 69 2HE2 GLN 69 -1.324 -12.178 -6.329 572 2HE2 GLN 69 1HE2 GLN 69 -2.901 -11.983 -6.928 573 H ASP 70 H ASP 70 -4.957 -13.053 -2.478 574 HA ASP 70 HA ASP 70 -4.411 -15.986 -2.501 575 1HB ASP 70 2HB ASP 70 -2.469 -13.992 -2.834 576 2HB ASP 70 1HB ASP 70 -2.334 -14.444 -1.136 577 H VAL 71 H VAL 71 -3.041 -15.894 0.059 578 HA VAL 71 HA VAL 71 -3.494 -15.908 2.350 579 HB VAL 71 HB VAL 71 -5.627 -13.832 1.777 580 1HG1 VAL 71 3HG1 VAL 71 -4.205 -14.881 4.186 581 2HG1 VAL 71 2HG1 VAL 71 -4.602 -13.163 4.146 582 3HG1 VAL 71 1HG1 VAL 71 -5.883 -14.367 4.008 583 1HG2 VAL 71 1HG2 VAL 71 -3.458 -13.162 0.776 584 2HG2 VAL 71 3HG2 VAL 71 -3.865 -12.156 2.167 585 3HG2 VAL 71 2HG2 VAL 71 -2.667 -13.442 2.329 586 H LYS 72 H LYS 72 -4.545 -17.532 3.318 587 HA LYS 72 HA LYS 72 -7.412 -18.012 2.660 588 1HB LYS 72 2HB LYS 72 -6.934 -20.463 2.591 589 2HB LYS 72 1HB LYS 72 -6.102 -19.586 1.310 590 1HG LYS 72 2HG LYS 72 -4.076 -19.477 2.816 591 2HG LYS 72 1HG LYS 72 -4.914 -20.571 3.916 592 1HD LYS 72 2HD LYS 72 -3.708 -22.082 2.617 593 2HD LYS 72 1HD LYS 72 -5.242 -22.031 1.746 594 1HE LYS 72 2HE LYS 72 -3.574 -21.764 0.071 595 2HE LYS 72 1HE LYS 72 -4.204 -20.141 0.351 596 1HZ LYS 72 3HZ LYS 72 -1.795 -21.236 1.694 597 2HZ LYS 72 2HZ LYS 72 -1.745 -20.279 0.291 598 3HZ LYS 72 1HZ LYS 72 -2.354 -19.635 1.740 599 H SER 73 H SER 73 -7.763 -20.251 4.336 600 HA SER 73 HA SER 73 -8.056 -19.060 6.899 601 1HB SER 73 2HB SER 73 -8.502 -21.368 7.693 602 2HB SER 73 1HB SER 73 -9.364 -21.015 6.199 603 HG SER 73 HG SER 73 -8.402 -22.803 5.595 604 H GLY 74 H GLY 74 -5.576 -21.352 5.722 605 1HA GLY 74 2HA GLY 74 -4.105 -21.454 8.188 606 2HA GLY 74 1HA GLY 74 -3.469 -21.900 6.604 607 H SER 75 H SER 75 -3.863 -19.398 5.307 608 HA SER 75 HA SER 75 -2.733 -17.377 4.955 609 1HB SER 75 2HB SER 75 -2.552 -17.194 7.967 610 2HB SER 75 1HB SER 75 -2.576 -15.871 6.805 611 HG SER 75 HG SER 75 -4.670 -17.707 7.372 612 H MET 76 H MET 76 -0.855 -18.344 4.069 613 HA MET 76 HA MET 76 1.487 -18.381 5.926 614 1HB MET 76 2HB MET 76 1.051 -20.275 3.595 615 2HB MET 76 1HB MET 76 2.404 -20.292 4.727 616 1HG MET 76 2HG MET 76 0.756 -20.676 6.587 617 2HG MET 76 1HG MET 76 -0.505 -20.845 5.367 618 1HE MET 76 3HE MET 76 -0.433 -22.171 3.490 619 2HE MET 76 2HE MET 76 0.226 -23.798 3.349 620 3HE MET 76 1HE MET 76 -1.083 -23.482 4.485 621 H LEU 77 H LEU 77 1.976 -16.231 5.204 622 HA LEU 77 HA LEU 77 2.456 -15.809 2.322 623 1HB LEU 77 2HB LEU 77 1.730 -14.155 4.504 624 2HB LEU 77 1HB LEU 77 3.324 -13.609 3.999 625 HG LEU 77 HG LEU 77 1.573 -12.412 2.763 626 1HD1 LEU 77 1HD1 LEU 77 3.754 -13.044 1.651 627 2HD1 LEU 77 3HD1 LEU 77 2.907 -14.407 0.916 628 3HD1 LEU 77 2HD1 LEU 77 2.418 -12.755 0.537 629 1HD2 LEU 77 2HD2 LEU 77 0.134 -14.704 2.905 630 2HD2 LEU 77 1HD2 LEU 77 -0.203 -13.427 1.737 631 3HD2 LEU 77 3HD2 LEU 77 0.746 -14.833 1.256 632 H SER 78 H SER 78 4.152 -17.720 2.925 633 HA SER 78 HA SER 78 6.789 -16.345 3.217 634 1HB SER 78 2HB SER 78 6.488 -19.181 4.121 635 2HB SER 78 1HB SER 78 7.592 -17.935 4.697 636 HG SER 78 HG SER 78 6.168 -17.791 6.249 637 H ASN 79 H ASN 79 5.357 -16.968 0.788 638 HA ASN 79 HA ASN 79 6.971 -19.234 -0.307 639 1HB ASN 79 2HB ASN 79 4.515 -17.914 -1.503 640 2HB ASN 79 1HB ASN 79 5.318 -19.372 -2.087 641 1HD2 ASN 79 2HD2 ASN 79 2.528 -19.735 0.756 642 2HD2 ASN 79 1HD2 ASN 79 2.752 -18.323 -0.158 643 H ASN 80 H ASN 80 5.589 -16.178 -1.576 644 HA ASN 80 HA ASN 80 7.806 -15.901 -3.463 645 1HB ASN 80 2HB ASN 80 5.374 -14.257 -2.785 646 2HB ASN 80 1HB ASN 80 6.636 -13.610 -3.832 647 1HD2 ASN 80 2HD2 ASN 80 4.099 -16.454 -5.252 648 2HD2 ASN 80 1HD2 ASN 80 4.007 -15.927 -3.641 649 H ASP 81 H ASP 81 8.986 -13.721 -3.541 650 HA ASP 81 HA ASP 81 9.741 -12.902 -0.762 651 1HB ASP 81 2HB ASP 81 11.506 -14.159 -2.050 652 2HB ASP 81 1HB ASP 81 11.506 -12.847 -3.228 653 H SER 82 H SER 82 8.676 -10.977 -0.471 654 HA SER 82 HA SER 82 8.065 -8.737 -0.801 655 1HB SER 82 2HB SER 82 10.148 -8.410 -2.918 656 2HB SER 82 1HB SER 82 9.737 -7.344 -1.576 657 HG SER 82 HG SER 82 10.750 -8.801 -0.181 658 H ARG 83 H ARG 83 6.072 -9.453 -1.839 659 HA ARG 83 HA ARG 83 5.810 -8.428 -4.561 660 1HB ARG 83 2HB ARG 83 6.637 -10.829 -4.803 661 2HB ARG 83 1HB ARG 83 5.108 -11.333 -4.083 662 1HG ARG 83 2HG ARG 83 4.448 -11.365 -6.277 663 2HG ARG 83 1HG ARG 83 4.157 -9.656 -5.957 664 1HD ARG 83 2HD ARG 83 5.614 -9.149 -7.596 665 2HD ARG 83 1HD ARG 83 6.902 -9.870 -6.630 666 HE ARG 83 HE ARG 83 5.337 -11.811 -8.172 667 1HH1 ARG 83 1HH2 ARG 83 8.393 -11.273 -7.275 668 2HH1 ARG 83 2HH2 ARG 83 9.126 -11.377 -8.841 669 1HH2 ARG 83 2HH1 ARG 83 6.112 -11.246 -10.553 670 2HH2 ARG 83 1HH1 ARG 83 7.834 -11.362 -10.695 671 H TRP 84 H TRP 84 4.131 -7.087 -3.941 672 HA TRP 84 HA TRP 84 1.811 -8.337 -2.526 673 1HB TRP 84 2HB TRP 84 2.730 -5.458 -2.738 674 2HB TRP 84 1HB TRP 84 1.164 -5.922 -2.076 675 HD1 TRP 84 HD1 TRP 84 4.806 -7.149 -1.543 676 HE1 TRP 84 HE1 TRP 84 5.190 -7.408 0.992 677 HE3 TRP 84 HE3 TRP 84 0.218 -5.733 0.191 678 HZ2 TRP 84 HZ2 TRP 84 3.735 -7.064 3.439 679 HZ3 TRP 84 HZ3 TRP 84 -0.258 -5.709 2.623 680 HH2 TRP 84 HH2 TRP 84 1.492 -6.373 4.248 681 H GLU 85 H GLU 85 -0.352 -7.631 -3.269 682 HA GLU 85 HA GLU 85 -0.394 -6.727 -6.114 683 1HB GLU 85 2HB GLU 85 -1.268 -9.293 -5.017 684 2HB GLU 85 1HB GLU 85 -2.576 -8.462 -5.858 685 1HG GLU 85 2HG GLU 85 0.060 -8.433 -7.225 686 2HG GLU 85 1HG GLU 85 -0.743 -10.001 -7.129 687 H PHE 86 H PHE 86 -2.410 -5.684 -6.726 688 HA PHE 86 HA PHE 86 -4.185 -4.902 -4.464 689 1HB PHE 86 2HB PHE 86 -2.796 -3.018 -6.395 690 2HB PHE 86 1HB PHE 86 -4.135 -2.539 -5.353 691 HD1 PHE 86 HD2 PHE 86 -0.711 -4.042 -5.272 692 HD2 PHE 86 HD1 PHE 86 -3.750 -1.911 -3.112 693 HE1 PHE 86 HE2 PHE 86 0.872 -3.686 -3.399 694 HE2 PHE 86 HE1 PHE 86 -2.166 -1.554 -1.237 695 HZ PHE 86 HZ PHE 86 0.147 -2.441 -1.381 696 H GLU 87 H GLU 87 -6.047 -5.874 -5.221 697 HA GLU 87 HA GLU 87 -6.793 -5.448 -8.079 698 1HB GLU 87 2HB GLU 87 -7.305 -7.583 -6.083 699 2HB GLU 87 1HB GLU 87 -8.664 -7.189 -7.136 700 1HG GLU 87 2HG GLU 87 -7.018 -7.373 -9.088 701 2HG GLU 87 1HG GLU 87 -5.898 -8.108 -7.942 702 H ASN 88 H ASN 88 -9.016 -4.822 -8.549 703 HA ASN 88 HA ASN 88 -10.079 -2.916 -6.548 704 1HB ASN 88 2HB ASN 88 -10.213 -3.242 -9.475 705 2HB ASN 88 1HB ASN 88 -11.756 -2.793 -8.749 706 1HD2 ASN 88 2HD2 ASN 88 -8.706 -0.094 -8.844 707 2HD2 ASN 88 1HD2 ASN 88 -8.463 -1.690 -9.366 708 H GLU 89 H GLU 89 -11.657 -3.593 -5.173 709 HA GLU 89 HA GLU 89 -13.338 -5.919 -6.009 710 1HB GLU 89 2HB GLU 89 -11.815 -5.978 -3.883 711 2HB GLU 89 1HB GLU 89 -13.079 -4.980 -3.164 712 1HG GLU 89 2HG GLU 89 -13.811 -7.143 -2.642 713 2HG GLU 89 1HG GLU 89 -14.700 -6.800 -4.125 714 H ARG 90 H ARG 90 -13.416 -2.667 -4.619 715 HA ARG 90 HA ARG 90 -15.177 -1.154 -4.354 716 1HB ARG 90 2HB ARG 90 -16.368 -2.934 -6.501 717 2HB ARG 90 1HB ARG 90 -17.095 -1.419 -5.968 718 1HG ARG 90 2HG ARG 90 -15.336 -0.125 -6.822 719 2HG ARG 90 1HG ARG 90 -14.217 -1.489 -6.845 720 1HD ARG 90 2HD ARG 90 -16.685 -1.339 -8.591 721 2HD ARG 90 1HD ARG 90 -15.090 -0.806 -9.122 722 HE ARG 90 HE ARG 90 -15.107 -3.534 -8.077 723 1HH1 ARG 90 1HH2 ARG 90 -13.327 -2.469 -10.273 724 2HH1 ARG 90 2HH2 ARG 90 -13.986 -3.256 -11.669 725 1HH2 ARG 90 2HH1 ARG 90 -16.952 -4.133 -10.099 726 2HH2 ARG 90 1HH1 ARG 90 -16.040 -4.200 -11.570 727 H HIS 91 H HIS 91 -17.466 -3.775 -5.072 728 HA HIS 91 HA HIS 91 -17.891 -4.423 -2.257 729 1HB HIS 91 2HB HIS 91 -19.091 -2.152 -2.833 730 2HB HIS 91 1HB HIS 91 -20.259 -3.197 -3.644 731 HD1 HIS 91 HD1 HIS 91 -22.081 -2.701 -1.839 732 HD2 HIS 91 HD2 HIS 91 -18.635 -4.490 -0.321 733 HE1 HIS 91 HE1 HIS 91 -22.645 -3.466 0.509 734 H ALA 92 HN ALA 92 -19.823 -4.361 -5.278 735 HA ALA 92 HA ALA 92 -19.598 -7.241 -5.620 736 1HB ALA 92 1HB ALA 92 -21.282 -7.010 -3.743 737 2HB ALA 92 3HB ALA 92 -22.330 -6.162 -4.881 738 3HB ALA 92 2HB ALA 92 -21.889 -7.844 -5.175 No H/Q in entry = 738 Start of MODEL 16 Raw file had 756 H/Q atoms Start of MODEL 16 1 1H ALA 1 3H ALA 1 -16.713 14.412 -7.066 2 2H ALA 1 2H ALA 1 -17.845 13.467 -7.909 3 3H ALA 1 1H ALA 1 -18.347 14.442 -6.612 4 HA ALA 1 HA ALA 1 -17.489 13.055 -5.021 5 1HB ALA 1 3HB ALA 1 -18.187 11.257 -7.364 6 2HB ALA 1 2HB ALA 1 -18.132 10.751 -5.676 7 3HB ALA 1 1HB ALA 1 -19.331 11.931 -6.204 8 H ARG 2 H ARG 2 -15.148 14.030 -5.888 9 HA ARG 2 HA ARG 2 -13.452 11.594 -6.129 10 1HB ARG 2 2HB ARG 2 -13.406 14.052 -7.851 11 2HB ARG 2 1HB ARG 2 -11.909 13.165 -7.556 12 1HG ARG 2 2HG ARG 2 -12.797 11.158 -8.498 13 2HG ARG 2 1HG ARG 2 -14.439 11.802 -8.499 14 1HD ARG 2 2HD ARG 2 -13.687 13.558 -10.124 15 2HD ARG 2 1HD ARG 2 -12.120 12.750 -10.205 16 HE ARG 2 HE ARG 2 -13.386 10.735 -11.076 17 1HH1 ARG 2 2HH1 ARG 2 -15.871 10.510 -11.467 18 2HH1 ARG 2 1HH1 ARG 2 -16.454 11.646 -12.635 19 1HH2 ARG 2 1HH2 ARG 2 -13.645 13.668 -12.465 20 2HH2 ARG 2 2HH2 ARG 2 -15.196 13.433 -13.201 21 HA PRO 3 HA PRO 3 -11.421 14.006 -3.011 22 1HB PRO 3 2HB PRO 3 -9.875 12.026 -1.916 23 2HB PRO 3 1HB PRO 3 -11.610 12.197 -1.599 24 1HG PRO 3 2HG PRO 3 -10.204 10.193 -3.277 25 2HG PRO 3 1HG PRO 3 -11.781 10.084 -2.482 26 1HD PRO 3 2HD PRO 3 -11.309 10.611 -5.234 27 2HD PRO 3 1HD PRO 3 -12.861 10.724 -4.383 28 H ALA 4 H ALA 4 -9.228 14.733 -2.450 29 HA ALA 4 HA ALA 4 -7.511 15.070 -4.723 30 1HB ALA 4 1HB ALA 4 -7.614 16.693 -2.862 31 2HB ALA 4 3HB ALA 4 -6.898 15.496 -1.784 32 3HB ALA 4 2HB ALA 4 -5.963 16.138 -3.135 33 H PHE 5 H PHE 5 -7.788 12.473 -2.458 34 HA PHE 5 HA PHE 5 -5.011 11.603 -2.644 35 1HB PHE 5 2HB PHE 5 -6.567 11.015 -0.737 36 2HB PHE 5 1HB PHE 5 -7.412 9.937 -1.849 37 HD1 PHE 5 HD2 PHE 5 -3.954 10.720 -0.633 38 HD2 PHE 5 HD1 PHE 5 -6.667 7.729 -2.093 39 HE1 PHE 5 HE2 PHE 5 -2.232 8.977 -0.256 40 HE2 PHE 5 HE1 PHE 5 -4.946 5.984 -1.716 41 HZ PHE 5 HZ PHE 5 -2.727 6.608 -0.797 42 H VAL 6 H VAL 6 -8.084 10.653 -4.189 43 HA VAL 6 HA VAL 6 -6.910 8.559 -5.790 44 HB VAL 6 HB VAL 6 -9.407 10.202 -6.340 45 1HG1 VAL 6 1HG1 VAL 6 -8.143 7.820 -7.594 46 2HG1 VAL 6 3HG1 VAL 6 -9.889 7.741 -7.358 47 3HG1 VAL 6 2HG1 VAL 6 -9.185 9.047 -8.311 48 1HG2 VAL 6 2HG2 VAL 6 -9.043 8.795 -4.098 49 2HG2 VAL 6 1HG2 VAL 6 -10.590 8.783 -4.943 50 3HG2 VAL 6 3HG2 VAL 6 -9.455 7.452 -5.165 51 H ASN 7 H ASN 7 -7.250 12.042 -6.144 52 HA ASN 7 HA ASN 7 -6.483 12.071 -8.960 53 1HB ASN 7 2HB ASN 7 -6.834 14.180 -6.834 54 2HB ASN 7 1HB ASN 7 -6.134 14.583 -8.402 55 1HD2 ASN 7 2HD2 ASN 7 -10.041 13.265 -8.362 56 2HD2 ASN 7 1HD2 ASN 7 -8.963 12.665 -7.197 57 H LYS 8 H LYS 8 -4.777 12.262 -5.879 58 HA LYS 8 HA LYS 8 -2.261 13.026 -7.227 59 1HB LYS 8 2HB LYS 8 -1.331 13.320 -5.051 60 2HB LYS 8 1HB LYS 8 -2.978 13.928 -4.939 61 1HG LYS 8 2HG LYS 8 -3.610 11.569 -4.111 62 2HG LYS 8 1HG LYS 8 -1.886 11.303 -3.903 63 1HD LYS 8 2HD LYS 8 -3.637 13.339 -2.501 64 2HD LYS 8 1HD LYS 8 -2.714 12.028 -1.775 65 1HE LYS 8 2HE LYS 8 -1.532 14.465 -3.153 66 2HE LYS 8 1HE LYS 8 -1.594 14.199 -1.414 67 1HZ LYS 8 2HZ LYS 8 -0.415 11.980 -2.773 68 2HZ LYS 8 1HZ LYS 8 0.410 13.424 -3.116 69 3HZ LYS 8 3HZ LYS 8 0.205 12.929 -1.509 70 H LEU 9 H LEU 9 -3.910 10.138 -6.490 71 HA LEU 9 HA LEU 9 -1.539 8.481 -6.057 72 1HB LEU 9 2HB LEU 9 -3.712 7.894 -5.040 73 2HB LEU 9 1HB LEU 9 -4.425 7.740 -6.643 74 HG LEU 9 HG LEU 9 -2.798 5.932 -7.164 75 1HD1 LEU 9 2HD1 LEU 9 -1.935 6.532 -4.335 76 2HD1 LEU 9 1HD1 LEU 9 -1.655 4.949 -5.061 77 3HD1 LEU 9 3HD1 LEU 9 -0.936 6.388 -5.782 78 1HD2 LEU 9 3HD2 LEU 9 -4.606 5.684 -4.756 79 2HD2 LEU 9 2HD2 LEU 9 -4.913 5.161 -6.414 80 3HD2 LEU 9 1HD2 LEU 9 -3.752 4.289 -5.414 81 H TRP 10 H TRP 10 -3.632 9.388 -8.735 82 HA TRP 10 HA TRP 10 -2.659 7.411 -10.604 83 1HB TRP 10 2HB TRP 10 -4.257 9.930 -10.766 84 2HB TRP 10 1HB TRP 10 -3.537 9.311 -12.249 85 HD1 TRP 10 HD1 TRP 10 -6.148 8.934 -12.974 86 HE1 TRP 10 HE1 TRP 10 -7.669 6.889 -12.618 87 HE3 TRP 10 HE3 TRP 10 -3.640 6.566 -9.173 88 HZ2 TRP 10 HZ2 TRP 10 -7.808 4.567 -10.971 89 HZ3 TRP 10 HZ3 TRP 10 -4.495 4.448 -8.248 90 HH2 TRP 10 HH2 TRP 10 -6.576 3.443 -9.136 91 H SER 11 H SER 11 -1.100 10.131 -9.259 92 HA SER 11 HA SER 11 0.573 10.534 -11.683 93 1HB SER 11 2HB SER 11 -0.294 12.218 -9.481 94 2HB SER 11 1HB SER 11 1.458 12.268 -9.658 95 HG SER 11 HG SER 11 -0.513 13.249 -11.278 96 H MET 12 H MET 12 0.830 9.579 -8.257 97 HA MET 12 HA MET 12 3.722 9.236 -8.418 98 1HB MET 12 2HB MET 12 3.544 8.324 -6.152 99 2HB MET 12 1HB MET 12 2.594 9.801 -6.282 100 1HG MET 12 2HG MET 12 0.999 8.482 -5.284 101 2HG MET 12 1HG MET 12 0.687 8.023 -6.957 102 1HE MET 12 1HE MET 12 3.069 7.707 -4.264 103 2HE MET 12 3HE MET 12 2.613 6.178 -3.498 104 3HE MET 12 2HE MET 12 3.960 6.233 -4.632 105 H VAL 13 H VAL 13 0.910 7.106 -8.725 106 HA VAL 13 HA VAL 13 2.308 4.619 -8.588 107 HB VAL 13 HB VAL 13 -0.171 5.273 -10.216 108 1HG1 VAL 13 2HG1 VAL 13 1.059 3.087 -10.682 109 2HG1 VAL 13 1HG1 VAL 13 0.692 2.627 -9.019 110 3HG1 VAL 13 3HG1 VAL 13 -0.618 2.916 -10.166 111 1HG2 VAL 13 2HG2 VAL 13 -0.047 5.744 -7.625 112 2HG2 VAL 13 1HG2 VAL 13 -1.443 4.895 -8.290 113 3HG2 VAL 13 3HG2 VAL 13 -0.153 3.988 -7.498 114 H ASN 14 H ASN 14 1.799 6.899 -11.241 115 HA ASN 14 HA ASN 14 3.130 5.102 -13.157 116 1HB ASN 14 2HB ASN 14 1.998 7.904 -13.391 117 2HB ASN 14 1HB ASN 14 2.839 7.099 -14.715 118 1HD2 ASN 14 2HD2 ASN 14 0.122 4.974 -15.502 119 2HD2 ASN 14 1HD2 ASN 14 1.733 5.395 -15.833 120 H ASP 15 H ASP 15 4.021 8.487 -13.367 121 HA ASP 15 HA ASP 15 6.096 9.533 -13.183 122 1HB ASP 15 2HB ASP 15 5.513 8.678 -10.734 123 2HB ASP 15 1HB ASP 15 6.906 7.633 -11.021 124 H LYS 16 H LYS 16 8.447 9.190 -13.496 125 HA LYS 16 HA LYS 16 8.920 6.776 -15.141 126 1HB LYS 16 2HB LYS 16 10.007 9.507 -15.008 127 2HB LYS 16 1HB LYS 16 11.247 8.274 -15.228 128 1HG LYS 16 2HG LYS 16 8.735 8.445 -16.913 129 2HG LYS 16 1HG LYS 16 10.279 9.154 -17.384 130 1HD LYS 16 2HD LYS 16 11.272 7.103 -17.749 131 2HD LYS 16 1HD LYS 16 10.271 6.289 -16.546 132 1HE LYS 16 2HE LYS 16 9.557 5.521 -18.720 133 2HE LYS 16 1HE LYS 16 8.304 6.593 -18.097 134 1HZ LYS 16 2HZ LYS 16 9.650 8.395 -19.342 135 2HZ LYS 16 1HZ LYS 16 10.280 7.084 -20.222 136 3HZ LYS 16 3HZ LYS 16 8.609 7.379 -20.221 137 H SER 17 H SER 17 10.206 8.389 -12.248 138 HA SER 17 HA SER 17 12.314 6.448 -11.817 139 1HB SER 17 2HB SER 17 12.702 7.588 -9.747 140 2HB SER 17 1HB SER 17 12.256 8.825 -10.917 141 HG SER 17 HG SER 17 11.082 8.224 -8.616 142 H ASN 18 H ASN 18 8.941 6.684 -10.846 143 HA ASN 18 HA ASN 18 9.226 4.444 -8.938 144 1HB ASN 18 2HB ASN 18 6.633 5.723 -9.822 145 2HB ASN 18 1HB ASN 18 6.957 4.841 -8.332 146 1HD2 ASN 18 2HD2 ASN 18 7.164 8.680 -7.951 147 2HD2 ASN 18 1HD2 ASN 18 6.066 7.749 -8.850 148 H GLU 19 H GLU 19 8.479 4.889 -12.282 149 HA GLU 19 HA GLU 19 6.673 2.776 -12.780 150 1HB GLU 19 2HB GLU 19 8.097 4.584 -14.325 151 2HB GLU 19 1HB GLU 19 8.782 3.036 -14.814 152 1HG GLU 19 2HG GLU 19 6.629 2.176 -15.424 153 2HG GLU 19 1HG GLU 19 5.800 3.534 -14.663 154 H LYS 20 H LYS 20 10.186 2.686 -12.322 155 HA LYS 20 HA LYS 20 10.534 -0.055 -13.122 156 1HB LYS 20 2HB LYS 20 12.264 1.920 -12.621 157 2HB LYS 20 1HB LYS 20 12.320 1.128 -11.047 158 1HG LYS 20 2HG LYS 20 13.405 -0.699 -11.864 159 2HG LYS 20 1HG LYS 20 12.440 -0.730 -13.340 160 1HD LYS 20 2HD LYS 20 13.818 1.472 -13.885 161 2HD LYS 20 1HD LYS 20 14.974 0.753 -12.763 162 1HE LYS 20 2HE LYS 20 15.183 -1.220 -14.098 163 2HE LYS 20 1HE LYS 20 13.787 -0.783 -15.084 164 1HZ LYS 20 1HZ LYS 20 16.197 0.923 -14.930 165 2HZ LYS 20 3HZ LYS 20 16.059 -0.334 -16.060 166 3HZ LYS 20 2HZ LYS 20 14.955 0.957 -16.088 167 H PHE 21 H PHE 21 9.650 1.464 -10.059 168 HA PHE 21 HA PHE 21 9.751 -1.175 -8.696 169 1HB PHE 21 2HB PHE 21 9.161 1.604 -7.616 170 2HB PHE 21 1HB PHE 21 9.262 0.135 -6.642 171 HD1 PHE 21 HD1 PHE 21 11.464 -1.282 -6.944 172 HD2 PHE 21 HD2 PHE 21 11.086 2.872 -7.970 173 HE1 PHE 21 HE1 PHE 21 13.929 -1.031 -6.837 174 HE2 PHE 21 HE2 PHE 21 13.550 3.123 -7.861 175 HZ PHE 21 HZ PHE 21 14.972 1.172 -7.295 176 H ILE 22 H ILE 22 7.377 1.473 -8.406 177 HA ILE 22 HA ILE 22 5.210 -0.517 -8.313 178 HB ILE 22 HB ILE 22 5.224 1.416 -6.748 179 1HG1 ILE 22 2HG1 ILE 22 2.916 1.582 -8.707 180 2HG1 ILE 22 1HG1 ILE 22 3.097 0.296 -7.514 181 1HG2 ILE 22 1HG2 ILE 22 6.149 2.965 -8.681 182 2HG2 ILE 22 3HG2 ILE 22 4.439 3.226 -9.013 183 3HG2 ILE 22 2HG2 ILE 22 5.104 3.639 -7.435 184 1HD1 ILE 22 1HD1 ILE 22 2.980 3.255 -6.856 185 2HD1 ILE 22 3HD1 ILE 22 1.623 2.138 -6.705 186 3HD1 ILE 22 2HD1 ILE 22 3.054 1.929 -5.695 187 H HIS 23 H HIS 23 4.030 -1.082 -10.081 188 HA HIS 23 HA HIS 23 3.768 0.855 -12.315 189 1HB HIS 23 2HB HIS 23 4.373 -0.877 -13.976 190 2HB HIS 23 1HB HIS 23 5.721 -0.519 -12.900 191 HD1 HIS 23 HD1 HIS 23 5.791 -2.245 -10.696 192 HD2 HIS 23 HD2 HIS 23 3.852 -3.581 -14.136 193 HE1 HIS 23 HE1 HIS 23 5.620 -4.765 -10.494 194 H TRP 24 H TRP 24 2.107 0.090 -13.916 195 HA TRP 24 HA TRP 24 -0.240 -0.923 -12.505 196 1HB TRP 24 2HB TRP 24 0.255 -0.145 -15.397 197 2HB TRP 24 1HB TRP 24 -1.310 -0.682 -14.790 198 HD1 TRP 24 HD1 TRP 24 1.260 1.798 -13.264 199 HE1 TRP 24 HE1 TRP 24 0.023 3.990 -12.726 200 HE3 TRP 24 HE3 TRP 24 -3.392 0.648 -15.034 201 HZ2 TRP 24 HZ2 TRP 24 -2.590 5.114 -13.007 202 HZ3 TRP 24 HZ3 TRP 24 -5.234 2.300 -14.888 203 HH2 TRP 24 HH2 TRP 24 -4.839 4.529 -13.877 204 H SER 25 H SER 25 -1.441 -2.849 -13.249 205 HA SER 25 HA SER 25 0.198 -5.166 -13.531 206 1HB SER 25 2HB SER 25 -2.702 -4.569 -13.640 207 2HB SER 25 1HB SER 25 -2.199 -6.036 -14.474 208 HG SER 25 HG SER 25 -2.379 -6.760 -12.470 209 H THR 26 H THR 26 -2.181 -4.082 -15.966 210 HA THR 26 HA THR 26 -0.195 -4.138 -18.110 211 HB THR 26 HB THR 26 -2.454 -6.131 -18.318 212 HG1 THR 26 HG1 THR 26 0.218 -6.702 -17.576 213 1HG2 THR 26 2HG2 THR 26 0.109 -5.560 -19.803 214 2HG2 THR 26 1HG2 THR 26 -0.721 -7.107 -19.960 215 3HG2 THR 26 3HG2 THR 26 -1.535 -5.616 -20.439 216 H SER 27 H SER 27 -3.657 -4.267 -17.299 217 HA SER 27 HA SER 27 -4.146 -1.811 -18.816 218 1HB SER 27 2HB SER 27 -4.221 -3.608 -20.563 219 2HB SER 27 1HB SER 27 -5.516 -4.385 -19.655 220 HG SER 27 HG SER 27 -6.856 -2.788 -20.169 221 H GLY 28 H GLY 28 -5.963 -0.768 -18.003 222 1HA GLY 28 2HA GLY 28 -8.163 -0.760 -16.942 223 2HA GLY 28 1HA GLY 28 -7.773 -2.317 -16.209 224 H GLU 29 H GLU 29 -6.270 -2.351 -14.420 225 HA GLU 29 HA GLU 29 -5.149 0.070 -13.331 226 1HB GLU 29 2HB GLU 29 -6.610 -0.008 -11.212 227 2HB GLU 29 1HB GLU 29 -7.354 0.666 -12.659 228 1HG GLU 29 2HG GLU 29 -8.494 -1.438 -13.116 229 2HG GLU 29 1HG GLU 29 -7.676 -2.218 -11.766 230 H SER 30 H SER 30 -6.104 -1.845 -10.683 231 HA SER 30 HA SER 30 -4.941 -3.411 -9.402 232 1HB SER 30 2HB SER 30 -5.488 -4.759 -11.508 233 2HB SER 30 1HB SER 30 -3.836 -4.432 -12.020 234 HG SER 30 HG SER 30 -3.337 -6.061 -10.799 235 H ILE 31 H ILE 31 -3.392 -2.213 -8.292 236 HA ILE 31 HA ILE 31 -0.889 -1.470 -9.713 237 HB ILE 31 HB ILE 31 -1.643 -0.911 -6.824 238 1HG1 ILE 31 2HG1 ILE 31 -1.829 1.037 -9.122 239 2HG1 ILE 31 1HG1 ILE 31 -3.199 0.019 -8.681 240 1HG2 ILE 31 1HG2 ILE 31 0.803 -0.787 -7.821 241 2HG2 ILE 31 3HG2 ILE 31 0.214 0.725 -8.513 242 3HG2 ILE 31 2HG2 ILE 31 0.206 0.492 -6.764 243 1HD1 ILE 31 3HD1 ILE 31 -2.800 0.887 -6.270 244 2HD1 ILE 31 2HD1 ILE 31 -1.835 2.147 -7.037 245 3HD1 ILE 31 1HD1 ILE 31 -3.548 1.989 -7.427 246 H VAL 32 H VAL 32 0.995 -2.608 -9.448 247 HA VAL 32 HA VAL 32 0.950 -4.832 -7.441 248 HB VAL 32 HB VAL 32 2.526 -4.723 -10.028 249 1HG1 VAL 32 3HG1 VAL 32 2.093 -6.754 -7.852 250 2HG1 VAL 32 2HG1 VAL 32 2.445 -7.287 -9.495 251 3HG1 VAL 32 1HG1 VAL 32 3.598 -6.268 -8.633 252 1HG2 VAL 32 2HG2 VAL 32 -0.286 -5.408 -9.480 253 2HG2 VAL 32 1HG2 VAL 32 0.514 -5.092 -11.019 254 3HG2 VAL 32 3HG2 VAL 32 0.599 -6.698 -10.295 255 H VAL 33 H VAL 33 2.706 -5.076 -6.084 256 HA VAL 33 HA VAL 33 4.904 -3.060 -6.358 257 HB VAL 33 HB VAL 33 3.742 -4.227 -3.804 258 1HG1 VAL 33 3HG1 VAL 33 6.089 -2.467 -4.426 259 2HG1 VAL 33 2HG1 VAL 33 5.176 -2.157 -2.948 260 3HG1 VAL 33 1HG1 VAL 33 5.930 -3.730 -3.205 261 1HG2 VAL 33 3HG2 VAL 33 2.533 -2.367 -5.328 262 2HG2 VAL 33 2HG2 VAL 33 2.491 -2.307 -3.566 263 3HG2 VAL 33 1HG2 VAL 33 3.649 -1.317 -4.455 264 HA PRO 34 HA PRO 34 6.908 -7.091 -6.453 265 1HB PRO 34 2HB PRO 34 9.008 -6.397 -8.074 266 2HB PRO 34 1HB PRO 34 7.428 -6.914 -8.689 267 1HG PRO 34 2HG PRO 34 8.608 -4.182 -8.597 268 2HG PRO 34 1HG PRO 34 7.404 -4.850 -9.708 269 1HD PRO 34 2HD PRO 34 6.864 -3.157 -7.516 270 2HD PRO 34 1HD PRO 34 5.667 -4.103 -8.420 271 H ASN 35 H ASN 35 8.225 -3.901 -5.764 272 HA ASN 35 HA ASN 35 10.033 -5.152 -3.762 273 1HB ASN 35 2HB ASN 35 10.832 -3.388 -6.051 274 2HB ASN 35 1HB ASN 35 11.706 -3.252 -4.525 275 1HD2 ASN 35 2HD2 ASN 35 12.082 -6.665 -6.765 276 2HD2 ASN 35 1HD2 ASN 35 10.833 -5.568 -7.106 277 H ARG 36 H ARG 36 8.241 -4.309 -2.383 278 HA ARG 36 HA ARG 36 7.679 -1.501 -2.147 279 1HB ARG 36 2HB ARG 36 6.252 -3.338 -1.209 280 2HB ARG 36 1HB ARG 36 7.494 -3.630 0.007 281 1HG ARG 36 2HG ARG 36 7.255 -1.293 0.798 282 2HG ARG 36 1HG ARG 36 5.984 -1.031 -0.397 283 1HD ARG 36 2HD ARG 36 5.093 -1.581 1.882 284 2HD ARG 36 1HD ARG 36 4.586 -2.728 0.642 285 HE ARG 36 HE ARG 36 6.170 -4.342 1.559 286 1HH1 ARG 36 1HH2 ARG 36 8.081 -2.246 2.684 287 2HH1 ARG 36 2HH2 ARG 36 7.834 -2.451 4.387 288 1HH2 ARG 36 2HH1 ARG 36 4.891 -4.242 4.019 289 2HH2 ARG 36 1HH1 ARG 36 6.031 -3.578 5.141 290 H GLU 37 H GLU 37 10.421 -3.370 -1.227 291 HA GLU 37 HA GLU 37 11.268 -1.885 1.073 292 1HB GLU 37 2HB GLU 37 12.152 -4.127 0.409 293 2HB GLU 37 1HB GLU 37 12.981 -3.364 -0.947 294 1HG GLU 37 2HG GLU 37 13.936 -1.774 0.938 295 2HG GLU 37 1HG GLU 37 13.543 -3.137 1.988 296 H ARG 38 H ARG 38 12.801 -1.795 -2.173 297 HA ARG 38 HA ARG 38 14.094 0.717 -1.694 298 1HB ARG 38 2HB ARG 38 14.561 -1.111 -3.510 299 2HB ARG 38 1HB ARG 38 13.382 -0.211 -4.464 300 1HG ARG 38 2HG ARG 38 14.754 1.617 -4.690 301 2HG ARG 38 1HG ARG 38 15.495 1.388 -3.107 302 1HD ARG 38 2HD ARG 38 17.007 -0.215 -3.900 303 2HD ARG 38 1HD ARG 38 16.012 -0.596 -5.306 304 HE ARG 38 HE ARG 38 16.955 2.148 -5.364 305 1HH1 ARG 38 2HH1 ARG 38 19.213 -0.025 -4.928 306 2HH1 ARG 38 1HH1 ARG 38 19.783 -0.157 -6.559 307 1HH2 ARG 38 1HH2 ARG 38 17.058 1.494 -7.927 308 2HH2 ARG 38 2HH2 ARG 38 18.563 0.702 -8.255 309 H PHE 39 H PHE 39 10.896 -0.093 -2.876 310 HA PHE 39 HA PHE 39 10.237 2.363 -4.167 311 1HB PHE 39 2HB PHE 39 8.755 0.501 -4.454 312 2HB PHE 39 1HB PHE 39 8.563 0.290 -2.717 313 HD1 PHE 39 HD1 PHE 39 7.756 2.546 -5.580 314 HD2 PHE 39 HD2 PHE 39 6.920 1.510 -1.491 315 HE1 PHE 39 HE1 PHE 39 5.769 4.026 -5.606 316 HE2 PHE 39 HE2 PHE 39 4.932 2.990 -1.525 317 HZ PHE 39 HZ PHE 39 4.357 4.249 -3.582 318 H VAL 40 H VAL 40 9.270 1.363 -0.869 319 HA VAL 40 HA VAL 40 8.323 3.844 0.016 320 HB VAL 40 HB VAL 40 9.768 1.741 1.657 321 1HG1 VAL 40 3HG1 VAL 40 8.867 4.301 2.426 322 2HG1 VAL 40 2HG1 VAL 40 7.639 3.180 3.010 323 3HG1 VAL 40 1HG1 VAL 40 9.320 2.972 3.492 324 1HG2 VAL 40 2HG2 VAL 40 7.801 0.919 0.326 325 2HG2 VAL 40 1HG2 VAL 40 7.553 0.817 2.068 326 3HG2 VAL 40 3HG2 VAL 40 6.800 2.118 1.144 327 H GLN 41 H GLN 41 11.640 2.747 -0.276 328 HA GLN 41 HA GLN 41 12.863 4.739 1.379 329 1HB GLN 41 2HB GLN 41 13.835 2.561 0.224 330 2HB GLN 41 1HB GLN 41 14.283 3.707 -1.042 331 1HG GLN 41 2HG GLN 41 15.419 5.117 0.646 332 2HG GLN 41 1HG GLN 41 15.001 3.943 1.895 333 1HE2 GLN 41 2HE2 GLN 41 17.705 1.827 1.121 334 2HE2 GLN 41 1HE2 GLN 41 16.445 2.216 2.190 335 H GLU 42 H GLU 42 12.728 4.661 -2.223 336 HA GLU 42 HA GLU 42 13.121 7.617 -2.157 337 1HB GLU 42 2HB GLU 42 13.482 5.619 -4.408 338 2HB GLU 42 1HB GLU 42 13.744 7.357 -4.554 339 1HG GLU 42 2HG GLU 42 15.557 7.309 -2.993 340 2HG GLU 42 1HG GLU 42 15.174 5.661 -2.497 341 H VAL 43 H VAL 43 10.470 6.411 -1.660 342 HA VAL 43 HA VAL 43 9.041 7.886 -3.789 343 HB VAL 43 HB VAL 43 8.183 5.055 -3.118 344 1HG1 VAL 43 1HG1 VAL 43 7.259 7.264 -4.903 345 2HG1 VAL 43 3HG1 VAL 43 7.114 5.613 -5.508 346 3HG1 VAL 43 2HG1 VAL 43 6.314 6.075 -4.005 347 1HG2 VAL 43 2HG2 VAL 43 9.782 6.080 -5.491 348 2HG2 VAL 43 1HG2 VAL 43 10.360 4.959 -4.259 349 3HG2 VAL 43 3HG2 VAL 43 9.081 4.467 -5.370 350 H LEU 44 H LEU 44 8.802 6.123 -0.672 351 HA LEU 44 HA LEU 44 6.168 7.078 -0.049 352 1HB LEU 44 2HB LEU 44 7.565 5.224 1.134 353 2HB LEU 44 1HB LEU 44 8.229 6.548 2.082 354 HG LEU 44 HG LEU 44 5.907 7.240 2.676 355 1HD1 LEU 44 2HD1 LEU 44 5.303 4.850 0.954 356 2HD1 LEU 44 1HD1 LEU 44 4.221 5.258 2.286 357 3HD1 LEU 44 3HD1 LEU 44 4.503 6.422 0.992 358 1HD2 LEU 44 1HD2 LEU 44 7.439 5.391 3.861 359 2HD2 LEU 44 3HD2 LEU 44 5.815 5.753 4.445 360 3HD2 LEU 44 2HD2 LEU 44 6.088 4.350 3.414 361 HA PRO 45 HA PRO 45 8.213 10.725 2.043 362 1HB PRO 45 2HB PRO 45 10.877 11.271 1.689 363 2HB PRO 45 1HB PRO 45 10.254 10.276 3.017 364 1HG PRO 45 2HG PRO 45 11.702 9.434 0.563 365 2HG PRO 45 1HG PRO 45 11.596 8.630 2.138 366 1HD PRO 45 2HD PRO 45 10.150 7.933 -0.197 367 2HD PRO 45 1HD PRO 45 9.859 7.335 1.444 368 H LYS 46 H LYS 46 9.005 9.819 -1.188 369 HA LYS 46 HA LYS 46 9.640 12.470 -2.182 370 1HB LYS 46 2HB LYS 46 8.832 9.924 -3.593 371 2HB LYS 46 1HB LYS 46 9.381 11.384 -4.409 372 1HG LYS 46 2HG LYS 46 10.977 9.797 -2.372 373 2HG LYS 46 1HG LYS 46 11.233 9.789 -4.109 374 1HD LYS 46 2HD LYS 46 11.546 12.190 -2.285 375 2HD LYS 46 1HD LYS 46 12.849 11.283 -3.041 376 1HE LYS 46 2HE LYS 46 12.708 12.682 -4.797 377 2HE LYS 46 1HE LYS 46 11.131 11.980 -5.158 378 1HZ LYS 46 3HZ LYS 46 11.398 14.100 -3.125 379 2HZ LYS 46 2HZ LYS 46 11.304 14.498 -4.775 380 3HZ LYS 46 1HZ LYS 46 10.033 13.654 -4.027 381 H TYR 47 H TYR 47 6.741 11.183 -1.085 382 HA TYR 47 HA TYR 47 5.218 13.197 -2.650 383 1HB TYR 47 2HB TYR 47 4.501 10.270 -2.340 384 2HB TYR 47 1HB TYR 47 3.350 11.500 -2.862 385 HD1 TYR 47 HD2 TYR 47 6.455 9.698 -3.739 386 HD2 TYR 47 HD1 TYR 47 3.504 12.533 -5.044 387 HE1 TYR 47 HE2 TYR 47 7.328 9.541 -6.055 388 HE2 TYR 47 HE1 TYR 47 4.376 12.375 -7.360 389 HH TYR 47 HH TYR 47 7.010 11.584 -8.279 390 H PHE 48 H PHE 48 5.099 10.816 0.004 391 HA PHE 48 HA PHE 48 3.400 12.752 1.525 392 1HB PHE 48 2HB PHE 48 3.608 9.802 2.150 393 2HB PHE 48 1HB PHE 48 2.360 10.940 2.647 394 HD1 PHE 48 HD1 PHE 48 0.616 11.676 1.073 395 HD2 PHE 48 HD2 PHE 48 3.605 8.813 -0.079 396 HE1 PHE 48 HE1 PHE 48 -0.736 11.060 -0.912 397 HE2 PHE 48 HE2 PHE 48 2.253 8.200 -2.065 398 HZ PHE 48 HZ PHE 48 0.081 9.321 -2.482 399 H LYS 49 H LYS 49 4.371 13.630 3.302 400 HA LYS 49 HA LYS 49 7.053 12.727 4.061 401 1HB LYS 49 2HB LYS 49 5.317 14.850 5.349 402 2HB LYS 49 1HB LYS 49 7.056 14.639 5.560 403 1HG LYS 49 2HG LYS 49 7.123 14.855 2.945 404 2HG LYS 49 1HG LYS 49 5.550 15.620 3.151 405 1HD LYS 49 2HD LYS 49 7.153 16.810 5.117 406 2HD LYS 49 1HD LYS 49 8.208 16.688 3.710 407 1HE LYS 49 2HE LYS 49 5.480 18.003 3.834 408 2HE LYS 49 1HE LYS 49 7.032 18.798 3.573 409 1HZ LYS 49 2HZ LYS 49 7.192 17.200 1.577 410 2HZ LYS 49 1HZ LYS 49 5.508 17.064 1.747 411 3HZ LYS 49 3HZ LYS 49 6.208 18.579 1.448 412 H HIS 50 H HIS 50 7.159 10.907 5.277 413 HA HIS 50 HA HIS 50 6.769 9.386 7.018 414 1HB HIS 50 2HB HIS 50 5.857 11.959 8.338 415 2HB HIS 50 1HB HIS 50 6.067 10.432 9.197 416 HD1 HIS 50 HD1 HIS 50 8.655 9.443 7.809 417 HD2 HIS 50 HD2 HIS 50 8.126 13.326 9.232 418 HE1 HIS 50 HE1 HIS 50 10.973 10.386 8.197 419 H SER 51 H SER 51 4.991 8.711 5.383 420 HA SER 51 HA SER 51 2.276 9.103 6.561 421 1HB SER 51 2HB SER 51 2.658 9.686 4.132 422 2HB SER 51 1HB SER 51 2.975 7.979 3.837 423 HG SER 51 HG SER 51 0.782 8.529 3.477 424 H ASN 52 H ASN 52 4.728 6.725 5.795 425 HA ASN 52 HA ASN 52 4.933 4.491 6.459 426 1HB ASN 52 2HB ASN 52 3.049 5.615 8.337 427 2HB ASN 52 1HB ASN 52 2.545 3.976 7.929 428 1HD2 ASN 52 2HD2 ASN 52 6.368 4.321 9.426 429 2HD2 ASN 52 1HD2 ASN 52 5.822 5.458 8.290 430 H PHE 53 H PHE 53 4.468 2.692 5.291 431 HA PHE 53 HA PHE 53 2.681 2.693 3.119 432 1HB PHE 53 2HB PHE 53 2.978 0.225 3.103 433 2HB PHE 53 1HB PHE 53 4.509 1.076 3.293 434 HD1 PHE 53 HD1 PHE 53 1.905 -0.899 5.019 435 HD2 PHE 53 HD2 PHE 53 5.769 0.945 5.358 436 HE1 PHE 53 HE1 PHE 53 2.303 -2.128 7.136 437 HE2 PHE 53 HE2 PHE 53 6.167 -0.284 7.476 438 HZ PHE 53 HZ PHE 53 4.435 -1.820 8.365 439 H ALA 54 H ALA 54 2.126 1.747 6.460 440 HA ALA 54 HA ALA 54 -0.335 0.364 6.172 441 1HB ALA 54 3HB ALA 54 0.693 2.123 8.415 442 2HB ALA 54 2HB ALA 54 -0.772 1.149 8.536 443 3HB ALA 54 1HB ALA 54 0.792 0.365 8.307 444 H SER 55 H SER 55 0.261 3.858 6.690 445 HA SER 55 HA SER 55 -2.492 4.641 6.652 446 1HB SER 55 2HB SER 55 -0.141 6.295 5.699 447 2HB SER 55 1HB SER 55 -1.681 6.890 6.310 448 HG SER 55 HG SER 55 -1.075 6.447 8.301 449 H PHE 56 H PHE 56 -0.147 4.034 4.098 450 HA PHE 56 HA PHE 56 -1.597 5.199 1.917 451 1HB PHE 56 2HB PHE 56 0.778 4.435 1.793 452 2HB PHE 56 1HB PHE 56 0.223 2.765 1.892 453 HD1 PHE 56 HD2 PHE 56 -1.074 5.731 -0.003 454 HD2 PHE 56 HD1 PHE 56 0.521 1.751 -0.183 455 HE1 PHE 56 HE2 PHE 56 -1.424 5.704 -2.460 456 HE2 PHE 56 HE1 PHE 56 0.174 1.720 -2.637 457 HZ PHE 56 HZ PHE 56 -0.800 3.695 -3.775 458 H VAL 57 H VAL 57 -1.626 1.923 3.283 459 HA VAL 57 HA VAL 57 -3.575 0.860 1.454 460 HB VAL 57 HB VAL 57 -2.982 -0.094 4.273 461 1HG1 VAL 57 2HG1 VAL 57 -4.187 -1.338 1.796 462 2HG1 VAL 57 1HG1 VAL 57 -3.510 -2.327 3.090 463 3HG1 VAL 57 3HG1 VAL 57 -4.870 -1.253 3.419 464 1HG2 VAL 57 3HG2 VAL 57 -1.282 -0.008 1.897 465 2HG2 VAL 57 2HG2 VAL 57 -0.871 -0.477 3.546 466 3HG2 VAL 57 1HG2 VAL 57 -1.551 -1.665 2.435 467 H ARG 58 H ARG 58 -3.790 2.818 4.328 468 HA ARG 58 HA ARG 58 -6.541 2.178 4.979 469 1HB ARG 58 2HB ARG 58 -4.555 3.488 6.292 470 2HB ARG 58 1HB ARG 58 -5.478 4.860 5.682 471 1HG ARG 58 2HG ARG 58 -6.904 4.564 7.405 472 2HG ARG 58 1HG ARG 58 -7.421 3.063 6.636 473 1HD ARG 58 2HD ARG 58 -4.952 3.129 8.364 474 2HD ARG 58 1HD ARG 58 -6.549 2.954 9.088 475 HE ARG 58 HE ARG 58 -6.063 1.070 6.911 476 1HH1 ARG 58 2HH1 ARG 58 -4.119 1.233 9.485 477 2HH1 ARG 58 1HH1 ARG 58 -4.697 -0.178 10.310 478 1HH2 ARG 58 1HH2 ARG 58 -7.500 -0.531 8.298 479 2HH2 ARG 58 2HH2 ARG 58 -6.612 -1.177 9.637 480 H GLN 59 H GLN 59 -4.957 4.733 3.071 481 HA GLN 59 HA GLN 59 -7.373 6.189 2.495 482 1HB GLN 59 2HB GLN 59 -4.745 6.056 0.979 483 2HB GLN 59 1HB GLN 59 -6.030 7.211 0.648 484 1HG GLN 59 2HG GLN 59 -4.476 6.954 3.240 485 2HG GLN 59 1HG GLN 59 -4.339 8.259 2.064 486 1HE2 GLN 59 2HE2 GLN 59 -7.405 8.271 4.749 487 2HE2 GLN 59 1HE2 GLN 59 -6.317 6.970 4.677 488 H LEU 60 H LEU 60 -5.651 3.578 0.822 489 HA LEU 60 HA LEU 60 -7.338 3.605 -1.523 490 1HB LEU 60 2HB LEU 60 -5.464 1.553 -0.335 491 2HB LEU 60 1HB LEU 60 -6.353 1.265 -1.832 492 HG LEU 60 HG LEU 60 -4.717 3.769 -1.473 493 1HD1 LEU 60 1HD1 LEU 60 -3.787 0.993 -2.205 494 2HD1 LEU 60 3HD1 LEU 60 -2.953 2.424 -2.810 495 3HD1 LEU 60 2HD1 LEU 60 -3.059 2.133 -1.074 496 1HD2 LEU 60 3HD2 LEU 60 -6.101 2.303 -3.660 497 2HD2 LEU 60 2HD2 LEU 60 -5.866 4.036 -3.442 498 3HD2 LEU 60 1HD2 LEU 60 -4.555 3.042 -4.079 499 H ASN 61 H ASN 61 -7.500 1.893 1.570 500 HA ASN 61 HA ASN 61 -9.632 0.114 0.705 501 1HB ASN 61 2HB ASN 61 -8.134 0.635 3.210 502 2HB ASN 61 1HB ASN 61 -9.768 0.004 3.411 503 1HD2 ASN 61 2HD2 ASN 61 -7.379 -2.353 1.041 504 2HD2 ASN 61 1HD2 ASN 61 -7.461 -0.684 0.746 505 H MET 62 H MET 62 -9.526 3.322 2.108 506 HA MET 62 HA MET 62 -12.313 3.224 2.993 507 1HB MET 62 2HB MET 62 -12.002 5.639 3.452 508 2HB MET 62 1HB MET 62 -10.725 4.660 4.172 509 1HG MET 62 2HG MET 62 -9.165 5.265 2.470 510 2HG MET 62 1HG MET 62 -10.433 5.937 1.447 511 1HE MET 62 2HE MET 62 -8.596 6.177 4.847 512 2HE MET 62 1HE MET 62 -9.231 7.667 5.540 513 3HE MET 62 3HE MET 62 -10.294 6.273 5.305 514 H TYR 63 H TYR 63 -10.865 3.604 -0.060 515 HA TYR 63 HA TYR 63 -13.206 5.184 -1.031 516 1HB TYR 63 2HB TYR 63 -10.424 4.814 -2.163 517 2HB TYR 63 1HB TYR 63 -11.741 5.544 -3.082 518 HD1 TYR 63 HD2 TYR 63 -13.189 7.201 -1.260 519 HD2 TYR 63 HD1 TYR 63 -8.959 6.458 -1.392 520 HE1 TYR 63 HE2 TYR 63 -12.776 9.362 -0.118 521 HE2 TYR 63 HE1 TYR 63 -8.546 8.622 -0.251 522 HH TYR 63 HH TYR 63 -10.808 10.289 1.396 523 H GLY 64 H GLY 64 -11.173 2.347 -1.819 524 1HA GLY 64 2HA GLY 64 -13.073 0.490 -2.404 525 2HA GLY 64 1HA GLY 64 -13.091 1.470 -3.869 526 H TRP 65 H TRP 65 -10.852 -0.329 -1.753 527 HA TRP 65 HA TRP 65 -9.551 -1.496 -4.113 528 1HB TRP 65 2HB TRP 65 -8.076 0.373 -2.240 529 2HB TRP 65 1HB TRP 65 -7.259 -0.773 -3.299 530 HD1 TRP 65 HD1 TRP 65 -8.710 2.632 -3.256 531 HE1 TRP 65 HE1 TRP 65 -8.765 3.616 -5.639 532 HE3 TRP 65 HE3 TRP 65 -7.681 -1.572 -5.964 533 HZ2 TRP 65 HZ2 TRP 65 -8.416 2.731 -8.340 534 HZ3 TRP 65 HZ3 TRP 65 -7.547 -1.475 -8.435 535 HH2 TRP 65 HH2 TRP 65 -7.910 0.670 -9.625 536 H HIS 66 H HIS 66 -8.568 -3.469 -3.581 537 HA HIS 66 HA HIS 66 -8.092 -4.141 -0.752 538 1HB HIS 66 2HB HIS 66 -10.263 -5.413 -2.420 539 2HB HIS 66 1HB HIS 66 -9.513 -6.271 -1.074 540 HD1 HIS 66 HD1 HIS 66 -9.654 -5.019 1.314 541 HD2 HIS 66 HD2 HIS 66 -12.193 -3.559 -1.652 542 HE1 HIS 66 HE1 HIS 66 -11.395 -3.608 2.494 543 H LYS 67 H LYS 67 -6.617 -5.825 -0.535 544 HA LYS 67 HA LYS 67 -4.946 -6.412 -2.805 545 1HB LYS 67 2HB LYS 67 -4.205 -8.413 -1.123 546 2HB LYS 67 1HB LYS 67 -3.597 -6.772 -0.998 547 1HG LYS 67 2HG LYS 67 -4.339 -7.716 1.189 548 2HG LYS 67 1HG LYS 67 -5.211 -6.253 0.750 549 1HD LYS 67 2HD LYS 67 -6.920 -7.992 -0.311 550 2HD LYS 67 1HD LYS 67 -6.178 -9.089 0.848 551 1HE LYS 67 2HE LYS 67 -6.681 -6.649 2.223 552 2HE LYS 67 1HE LYS 67 -8.141 -7.043 1.317 553 1HZ LYS 67 3HZ LYS 67 -6.692 -8.905 3.119 554 2HZ LYS 67 2HZ LYS 67 -8.116 -8.068 3.513 555 3HZ LYS 67 1HZ LYS 67 -8.129 -9.239 2.283 556 H VAL 68 H VAL 68 -4.433 -8.838 -3.348 557 HA VAL 68 HA VAL 68 -6.812 -9.949 -4.531 558 HB VAL 68 HB VAL 68 -4.127 -11.296 -4.088 559 1HG1 VAL 68 2HG1 VAL 68 -6.566 -11.892 -5.739 560 2HG1 VAL 68 1HG1 VAL 68 -4.978 -12.372 -6.339 561 3HG1 VAL 68 3HG1 VAL 68 -5.563 -12.994 -4.796 562 1HG2 VAL 68 2HG2 VAL 68 -4.213 -9.005 -5.316 563 2HG2 VAL 68 1HG2 VAL 68 -3.399 -10.345 -6.124 564 3HG2 VAL 68 3HG2 VAL 68 -5.035 -9.890 -6.600 565 H GLN 69 H GLN 69 -8.240 -11.401 -3.697 566 HA GLN 69 HA GLN 69 -7.997 -12.191 -0.902 567 1HB GLN 69 2HB GLN 69 -10.115 -11.815 -2.666 568 2HB GLN 69 1HB GLN 69 -10.079 -13.565 -2.450 569 1HG GLN 69 2HG GLN 69 -11.453 -12.830 -0.682 570 2HG GLN 69 1HG GLN 69 -9.877 -13.024 0.088 571 1HE2 GLN 69 2HE2 GLN 69 -11.512 -9.307 -0.254 572 2HE2 GLN 69 1HE2 GLN 69 -12.274 -10.655 -0.951 573 H ASP 70 H ASP 70 -7.270 -13.652 -3.988 574 HA ASP 70 HA ASP 70 -6.282 -15.708 -4.517 575 1HB ASP 70 2HB ASP 70 -5.179 -14.943 -2.073 576 2HB ASP 70 1HB ASP 70 -5.737 -16.588 -1.772 577 H VAL 71 H VAL 71 -6.542 -18.138 -4.046 578 HA VAL 71 HA VAL 71 -9.327 -18.794 -3.948 579 HB VAL 71 HB VAL 71 -7.005 -20.679 -3.443 580 1HG1 VAL 71 1HG1 VAL 71 -9.597 -21.254 -3.188 581 2HG1 VAL 71 3HG1 VAL 71 -9.494 -21.381 -4.945 582 3HG1 VAL 71 2HG1 VAL 71 -8.475 -22.398 -3.925 583 1HG2 VAL 71 3HG2 VAL 71 -8.076 -19.425 -5.962 584 2HG2 VAL 71 2HG2 VAL 71 -6.399 -19.677 -5.474 585 3HG2 VAL 71 1HG2 VAL 71 -7.376 -21.043 -6.014 586 H LYS 72 H LYS 72 -6.849 -18.599 -1.476 587 HA LYS 72 HA LYS 72 -8.786 -18.577 0.650 588 1HB LYS 72 2HB LYS 72 -7.890 -21.170 -0.210 589 2HB LYS 72 1HB LYS 72 -7.221 -20.859 1.390 590 1HG LYS 72 2HG LYS 72 -10.146 -20.498 0.675 591 2HG LYS 72 1HG LYS 72 -9.486 -21.939 1.448 592 1HD LYS 72 2HD LYS 72 -8.641 -20.514 3.313 593 2HD LYS 72 1HD LYS 72 -9.405 -19.116 2.558 594 1HE LYS 72 2HE LYS 72 -11.434 -19.679 3.376 595 2HE LYS 72 1HE LYS 72 -11.274 -21.342 2.815 596 1HZ LYS 72 2HZ LYS 72 -9.843 -21.773 4.756 597 2HZ LYS 72 1HZ LYS 72 -10.156 -20.199 5.317 598 3HZ LYS 72 3HZ LYS 72 -11.422 -21.322 5.191 599 H SER 73 H SER 73 -7.605 -16.730 1.271 600 HA SER 73 HA SER 73 -4.728 -16.805 1.661 601 1HB SER 73 2HB SER 73 -6.905 -14.833 2.020 602 2HB SER 73 1HB SER 73 -5.549 -14.652 3.128 603 HG SER 73 HG SER 73 -5.226 -13.519 1.163 604 H GLY 74 H GLY 74 -7.037 -15.875 4.211 605 1HA GLY 74 2HA GLY 74 -7.389 -16.947 6.323 606 2HA GLY 74 1HA GLY 74 -6.096 -18.083 5.935 607 H SER 75 H SER 75 -3.976 -16.471 5.365 608 HA SER 75 HA SER 75 -3.606 -14.296 7.226 609 1HB SER 75 2HB SER 75 -2.064 -15.380 8.766 610 2HB SER 75 1HB SER 75 -3.583 -16.271 8.781 611 HG SER 75 HG SER 75 -1.081 -17.002 7.859 612 H MET 76 H MET 76 -2.417 -13.093 5.811 613 HA MET 76 HA MET 76 -0.635 -12.440 4.453 614 1HB MET 76 2HB MET 76 0.465 -14.613 6.053 615 2HB MET 76 1HB MET 76 1.154 -14.621 4.431 616 1HG MET 76 2HG MET 76 0.931 -12.049 5.979 617 2HG MET 76 1HG MET 76 2.282 -13.145 6.260 618 1HE MET 76 1HE MET 76 0.827 -10.458 4.676 619 2HE MET 76 3HE MET 76 1.757 -10.027 3.234 620 3HE MET 76 2HE MET 76 0.414 -11.160 3.114 621 H LEU 77 H LEU 77 -0.935 -12.446 2.339 622 HA LEU 77 HA LEU 77 -2.430 -14.169 0.792 623 1HB LEU 77 2HB LEU 77 -0.127 -12.369 0.123 624 2HB LEU 77 1HB LEU 77 -0.819 -13.385 -1.139 625 HG LEU 77 HG LEU 77 -2.921 -12.087 0.404 626 1HD1 LEU 77 3HD1 LEU 77 -0.728 -10.370 -0.762 627 2HD1 LEU 77 2HD1 LEU 77 -2.386 -9.783 -0.628 628 3HD1 LEU 77 1HD1 LEU 77 -1.495 -10.245 0.821 629 1HD2 LEU 77 2HD2 LEU 77 -2.048 -12.319 -2.464 630 2HD2 LEU 77 1HD2 LEU 77 -3.542 -12.875 -1.709 631 3HD2 LEU 77 3HD2 LEU 77 -3.302 -11.157 -2.031 632 H SER 78 H SER 78 1.171 -14.302 0.706 633 HA SER 78 HA SER 78 0.886 -17.237 0.209 634 1HB SER 78 2HB SER 78 3.146 -16.841 -1.092 635 2HB SER 78 1HB SER 78 1.605 -16.513 -1.880 636 HG SER 78 HG SER 78 1.859 -14.339 -1.376 637 H ASN 79 H ASN 79 3.962 -15.495 0.528 638 HA ASN 79 HA ASN 79 4.398 -15.769 3.303 639 1HB ASN 79 2HB ASN 79 4.492 -18.295 1.865 640 2HB ASN 79 1HB ASN 79 6.065 -17.938 2.573 641 1HD2 ASN 79 2HD2 ASN 79 4.615 -17.792 5.955 642 2HD2 ASN 79 1HD2 ASN 79 5.627 -16.840 4.981 643 H ASN 80 H ASN 80 5.095 -14.009 1.163 644 HA ASN 80 HA ASN 80 8.079 -14.221 1.238 645 1HB ASN 80 2HB ASN 80 6.212 -13.373 -0.964 646 2HB ASN 80 1HB ASN 80 7.855 -12.732 -0.904 647 1HD2 ASN 80 1HD2 ASN 80 8.930 -13.918 -2.520 648 2HD2 ASN 80 2HD2 ASN 80 8.968 -15.613 -2.591 649 H ASP 81 H ASP 81 9.128 -12.468 2.071 650 HA ASP 81 HA ASP 81 7.701 -10.445 3.494 651 1HB ASP 81 2HB ASP 81 10.060 -11.185 3.963 652 2HB ASP 81 1HB ASP 81 10.568 -10.306 2.521 653 H SER 82 H SER 82 6.711 -8.661 2.719 654 HA SER 82 HA SER 82 6.107 -6.906 1.287 655 1HB SER 82 2HB SER 82 8.732 -6.921 -0.103 656 2HB SER 82 1HB SER 82 7.837 -5.574 0.596 657 HG SER 82 HG SER 82 9.863 -6.914 1.642 658 H ARG 83 H ARG 83 4.643 -8.240 0.078 659 HA ARG 83 HA ARG 83 5.236 -8.392 -2.741 660 1HB ARG 83 2HB ARG 83 5.955 -10.677 -1.155 661 2HB ARG 83 1HB ARG 83 4.581 -11.122 -2.164 662 1HG ARG 83 2HG ARG 83 7.110 -9.794 -3.186 663 2HG ARG 83 1HG ARG 83 6.765 -11.520 -3.299 664 1HD ARG 83 2HD ARG 83 4.529 -10.700 -4.426 665 2HD ARG 83 1HD ARG 83 5.455 -9.230 -4.729 666 HE ARG 83 HE ARG 83 5.945 -11.864 -5.953 667 1HH1 ARG 83 2HH1 ARG 83 8.602 -10.879 -5.134 668 2HH1 ARG 83 1HH1 ARG 83 9.072 -9.876 -6.466 669 1HH2 ARG 83 1HH2 ARG 83 5.857 -9.611 -7.741 670 2HH2 ARG 83 2HH2 ARG 83 7.517 -9.158 -7.942 671 H TRP 84 H TRP 84 3.289 -7.403 -3.141 672 HA TRP 84 HA TRP 84 0.903 -9.035 -2.939 673 1HB TRP 84 2HB TRP 84 -0.430 -7.326 -1.659 674 2HB TRP 84 1HB TRP 84 0.761 -8.197 -0.702 675 HD1 TRP 84 HD1 TRP 84 2.504 -5.718 -2.786 676 HE1 TRP 84 HE1 TRP 84 3.112 -3.624 -1.408 677 HE3 TRP 84 HE3 TRP 84 -0.390 -6.525 1.332 678 HZ2 TRP 84 HZ2 TRP 84 2.436 -2.442 1.112 679 HZ3 TRP 84 HZ3 TRP 84 -0.401 -4.900 3.202 680 HH2 TRP 84 HH2 TRP 84 1.006 -2.861 3.098 681 H GLU 85 H GLU 85 -1.071 -7.697 -3.723 682 HA GLU 85 HA GLU 85 -0.152 -5.846 -5.887 683 1HB GLU 85 2HB GLU 85 -1.439 -8.378 -6.104 684 2HB GLU 85 1HB GLU 85 -2.636 -7.166 -6.553 685 1HG GLU 85 2HG GLU 85 -1.529 -6.593 -8.457 686 2HG GLU 85 1HG GLU 85 0.054 -6.703 -7.686 687 H PHE 86 H PHE 86 -2.751 -5.161 -6.772 688 HA PHE 86 HA PHE 86 -4.269 -4.196 -4.439 689 1HB PHE 86 2HB PHE 86 -2.692 -2.406 -6.271 690 2HB PHE 86 1HB PHE 86 -4.156 -1.814 -5.488 691 HD1 PHE 86 HD1 PHE 86 -4.283 -2.556 -2.876 692 HD2 PHE 86 HD2 PHE 86 -0.694 -1.980 -5.157 693 HE1 PHE 86 HE1 PHE 86 -3.015 -2.178 -0.778 694 HE2 PHE 86 HE2 PHE 86 0.578 -1.600 -3.060 695 HZ PHE 86 HZ PHE 86 -0.583 -1.700 -0.871 696 H GLU 87 H GLU 87 -5.585 -5.826 -5.745 697 HA GLU 87 HA GLU 87 -6.692 -4.841 -8.285 698 1HB GLU 87 2HB GLU 87 -6.247 -7.278 -7.819 699 2HB GLU 87 1HB GLU 87 -7.552 -7.233 -6.634 700 1HG GLU 87 2HG GLU 87 -8.530 -8.029 -8.668 701 2HG GLU 87 1HG GLU 87 -9.046 -6.351 -8.502 702 H ASN 88 H ASN 88 -8.903 -4.253 -8.570 703 HA ASN 88 HA ASN 88 -10.071 -2.732 -6.445 704 1HB ASN 88 2HB ASN 88 -10.469 -2.994 -9.195 705 2HB ASN 88 1HB ASN 88 -11.975 -3.592 -8.501 706 1HD2 ASN 88 2HD2 ASN 88 -13.104 -0.341 -7.795 707 2HD2 ASN 88 1HD2 ASN 88 -13.480 -1.963 -8.124 708 H GLU 89 H GLU 89 -12.874 -3.618 -6.715 709 HA GLU 89 HA GLU 89 -12.732 -5.890 -4.822 710 1HB GLU 89 2HB GLU 89 -14.421 -3.597 -5.130 711 2HB GLU 89 1HB GLU 89 -15.430 -5.035 -5.280 712 1HG GLU 89 2HG GLU 89 -14.617 -5.890 -3.155 713 2HG GLU 89 1HG GLU 89 -13.458 -4.568 -3.023 714 H ARG 90 H ARG 90 -12.335 -6.190 -7.808 715 HA ARG 90 HA ARG 90 -14.574 -8.106 -8.317 716 1HB ARG 90 2HB ARG 90 -13.904 -5.936 -9.862 717 2HB ARG 90 1HB ARG 90 -12.961 -7.212 -10.631 718 1HG ARG 90 2HG ARG 90 -15.039 -8.611 -10.732 719 2HG ARG 90 1HG ARG 90 -15.948 -7.233 -10.112 720 1HD ARG 90 2HD ARG 90 -14.867 -5.924 -12.087 721 2HD ARG 90 1HD ARG 90 -14.542 -7.522 -12.761 722 HE ARG 90 HE ARG 90 -17.196 -6.282 -12.447 723 1HH1 ARG 90 2HH1 ARG 90 -17.552 -9.016 -11.436 724 2HH1 ARG 90 1HH1 ARG 90 -17.840 -9.936 -12.874 725 1HH2 ARG 90 1HH2 ARG 90 -16.588 -7.498 -15.001 726 2HH2 ARG 90 2HH2 ARG 90 -17.295 -9.077 -14.895 727 H HIS 91 H HIS 91 -13.944 -10.222 -8.500 728 HA HIS 91 HA HIS 91 -11.019 -10.772 -8.571 729 1HB HIS 91 2HB HIS 91 -11.654 -13.048 -7.795 730 2HB HIS 91 1HB HIS 91 -12.231 -11.791 -6.703 731 HD1 HIS 91 HD1 HIS 91 -14.787 -11.387 -6.582 732 HD2 HIS 91 HD2 HIS 91 -13.708 -14.385 -9.270 733 HE1 HIS 91 HE1 HIS 91 -16.926 -12.586 -7.214 734 H ALA 92 HN ALA 92 -12.561 -10.037 -10.973 735 HA ALA 92 HA ALA 92 -12.407 -12.600 -12.503 736 1HB ALA 92 3HB ALA 92 -14.043 -10.102 -12.817 737 2HB ALA 92 2HB ALA 92 -13.674 -11.075 -14.241 738 3HB ALA 92 1HB ALA 92 -14.558 -11.787 -12.891 No H/Q in entry = 738 Start of MODEL 17 Raw file had 756 H/Q atoms Start of MODEL 17 1 1H ALA 1 1H ALA 1 -14.524 13.582 -2.903 2 2H ALA 1 3H ALA 1 -15.373 14.787 -3.742 3 3H ALA 1 2H ALA 1 -16.220 13.536 -2.966 4 HA ALA 1 HA ALA 1 -15.576 11.941 -4.514 5 1HB ALA 1 3HB ALA 1 -16.094 14.605 -5.858 6 2HB ALA 1 2HB ALA 1 -16.052 13.078 -6.741 7 3HB ALA 1 1HB ALA 1 -17.265 13.338 -5.487 8 H ARG 2 H ARG 2 -13.605 14.871 -4.745 9 HA ARG 2 HA ARG 2 -11.447 13.201 -5.968 10 1HB ARG 2 2HB ARG 2 -12.470 15.908 -6.757 11 2HB ARG 2 1HB ARG 2 -10.753 15.561 -6.954 12 1HG ARG 2 2HG ARG 2 -12.127 13.285 -7.943 13 2HG ARG 2 1HG ARG 2 -12.980 14.687 -8.585 14 1HD ARG 2 2HD ARG 2 -10.043 14.921 -8.699 15 2HD ARG 2 1HD ARG 2 -10.701 13.613 -9.682 16 HE ARG 2 HE ARG 2 -12.312 15.822 -10.248 17 1HH1 ARG 2 1HH1 ARG 2 -9.272 15.626 -12.581 18 2HH1 ARG 2 2HH1 ARG 2 -10.133 14.271 -11.934 19 1HH2 ARG 2 1HH2 ARG 2 -10.699 17.913 -10.400 20 2HH2 ARG 2 2HH2 ARG 2 -9.592 17.689 -11.714 21 HA PRO 3 HA PRO 3 -9.700 15.273 -2.374 22 1HB PRO 3 2HB PRO 3 -8.655 13.088 -1.091 23 2HB PRO 3 1HB PRO 3 -10.327 13.635 -0.878 24 1HG PRO 3 2HG PRO 3 -9.297 11.295 -2.386 25 2HG PRO 3 1HG PRO 3 -10.887 11.542 -1.651 26 1HD PRO 3 2HD PRO 3 -10.267 11.791 -4.403 27 2HD PRO 3 1HD PRO 3 -11.766 12.314 -3.612 28 H ALA 4 H ALA 4 -7.385 15.329 -1.575 29 HA ALA 4 HA ALA 4 -5.546 15.397 -3.766 30 1HB ALA 4 2HB ALA 4 -5.327 15.710 -0.793 31 2HB ALA 4 1HB ALA 4 -3.852 15.537 -1.744 32 3HB ALA 4 3HB ALA 4 -4.959 16.871 -2.069 33 H PHE 5 H PHE 5 -6.566 12.770 -1.766 34 HA PHE 5 HA PHE 5 -4.102 11.242 -1.922 35 1HB PHE 5 2HB PHE 5 -5.891 10.874 -0.185 36 2HB PHE 5 1HB PHE 5 -6.901 10.182 -1.458 37 HD1 PHE 5 HD2 PHE 5 -3.592 9.841 0.234 38 HD2 PHE 5 HD1 PHE 5 -6.604 7.943 -2.169 39 HE1 PHE 5 HE2 PHE 5 -2.407 7.674 0.458 40 HE2 PHE 5 HE1 PHE 5 -5.420 5.777 -1.944 41 HZ PHE 5 HZ PHE 5 -3.321 5.641 -0.632 42 H VAL 6 H VAL 6 -7.229 11.051 -3.666 43 HA VAL 6 HA VAL 6 -6.330 8.962 -5.443 44 HB VAL 6 HB VAL 6 -8.518 10.987 -6.006 45 1HG1 VAL 6 2HG1 VAL 6 -7.527 9.175 -7.699 46 2HG1 VAL 6 1HG1 VAL 6 -8.583 8.099 -6.785 47 3HG1 VAL 6 3HG1 VAL 6 -9.259 9.498 -7.618 48 1HG2 VAL 6 2HG2 VAL 6 -8.635 8.378 -4.453 49 2HG2 VAL 6 1HG2 VAL 6 -8.876 9.988 -3.784 50 3HG2 VAL 6 3HG2 VAL 6 -10.037 9.332 -4.934 51 H ASN 7 H ASN 7 -6.106 12.468 -5.474 52 HA ASN 7 HA ASN 7 -5.385 12.746 -8.252 53 1HB ASN 7 2HB ASN 7 -4.947 14.469 -5.804 54 2HB ASN 7 1HB ASN 7 -4.333 14.934 -7.392 55 1HD2 ASN 7 2HD2 ASN 7 -7.784 15.071 -8.738 56 2HD2 ASN 7 1HD2 ASN 7 -6.334 14.287 -9.143 57 H LYS 8 H LYS 8 -3.458 12.368 -5.267 58 HA LYS 8 HA LYS 8 -0.912 12.485 -6.625 59 1HB LYS 8 2HB LYS 8 0.017 11.566 -4.522 60 2HB LYS 8 1HB LYS 8 -1.089 12.901 -4.203 61 1HG LYS 8 2HG LYS 8 -2.734 11.508 -3.334 62 2HG LYS 8 1HG LYS 8 -2.173 10.108 -4.239 63 1HD LYS 8 2HD LYS 8 -0.471 11.343 -2.083 64 2HD LYS 8 1HD LYS 8 -1.707 10.144 -1.699 65 1HE LYS 8 2HE LYS 8 -0.319 8.490 -2.331 66 2HE LYS 8 1HE LYS 8 -0.195 9.187 -3.946 67 1HZ LYS 8 1HZ LYS 8 1.505 10.714 -3.055 68 2HZ LYS 8 3HZ LYS 8 1.451 9.882 -1.577 69 3HZ LYS 8 2HZ LYS 8 1.969 9.082 -2.984 70 H LEU 9 H LEU 9 -3.276 9.966 -6.161 71 HA LEU 9 HA LEU 9 -1.538 7.703 -6.523 72 1HB LEU 9 2HB LEU 9 -3.965 7.754 -5.659 73 2HB LEU 9 1HB LEU 9 -4.436 7.799 -7.358 74 HG LEU 9 HG LEU 9 -2.850 5.756 -7.620 75 1HD1 LEU 9 1HD1 LEU 9 -2.161 6.259 -5.079 76 2HD1 LEU 9 3HD1 LEU 9 -3.528 5.188 -4.769 77 3HD1 LEU 9 2HD1 LEU 9 -2.165 4.621 -5.732 78 1HD2 LEU 9 3HD2 LEU 9 -5.437 5.863 -7.608 79 2HD2 LEU 9 2HD2 LEU 9 -4.689 4.297 -7.292 80 3HD2 LEU 9 1HD2 LEU 9 -5.322 5.259 -5.955 81 H TRP 10 H TRP 10 -3.302 9.789 -8.791 82 HA TRP 10 HA TRP 10 -2.636 8.131 -11.099 83 1HB TRP 10 2HB TRP 10 -3.617 10.995 -11.054 84 2HB TRP 10 1HB TRP 10 -3.672 9.884 -12.420 85 HD1 TRP 10 HD1 TRP 10 -6.051 11.304 -10.385 86 HE1 TRP 10 HE1 TRP 10 -7.993 9.739 -9.742 87 HE3 TRP 10 HE3 TRP 10 -3.944 6.762 -11.459 88 HZ2 TRP 10 HZ2 TRP 10 -8.580 6.945 -9.684 89 HZ3 TRP 10 HZ3 TRP 10 -5.220 4.676 -11.096 90 HH2 TRP 10 HH2 TRP 10 -7.534 4.759 -10.211 91 H SER 11 H SER 11 -0.686 10.067 -9.227 92 HA SER 11 HA SER 11 0.960 10.901 -11.577 93 1HB SER 11 2HB SER 11 0.549 12.066 -8.845 94 2HB SER 11 1HB SER 11 2.092 12.322 -9.658 95 HG SER 11 HG SER 11 0.929 13.933 -10.459 96 H MET 12 H MET 12 0.919 9.097 -8.573 97 HA MET 12 HA MET 12 3.813 8.550 -8.707 98 1HB MET 12 2HB MET 12 3.432 7.284 -6.618 99 2HB MET 12 1HB MET 12 2.787 8.919 -6.508 100 1HG MET 12 2HG MET 12 0.829 7.977 -5.875 101 2HG MET 12 1HG MET 12 0.652 7.455 -7.547 102 1HE MET 12 1HE MET 12 2.025 6.935 -4.209 103 2HE MET 12 3HE MET 12 2.019 5.199 -3.876 104 3HE MET 12 2HE MET 12 3.351 5.923 -4.772 105 H VAL 13 H VAL 13 0.771 6.960 -9.466 106 HA VAL 13 HA VAL 13 2.078 4.349 -9.833 107 HB VAL 13 HB VAL 13 -0.731 5.099 -10.670 108 1HG1 VAL 13 2HG1 VAL 13 0.184 2.957 -11.498 109 2HG1 VAL 13 1HG1 VAL 13 0.579 2.488 -9.844 110 3HG1 VAL 13 3HG1 VAL 13 -1.107 2.683 -10.327 111 1HG2 VAL 13 2HG2 VAL 13 -0.224 5.667 -8.246 112 2HG2 VAL 13 1HG2 VAL 13 -1.494 4.468 -8.471 113 3HG2 VAL 13 3HG2 VAL 13 0.124 3.959 -7.993 114 H ASN 14 H ASN 14 1.612 7.163 -11.740 115 HA ASN 14 HA ASN 14 1.185 6.137 -14.333 116 1HB ASN 14 2HB ASN 14 1.362 8.583 -13.593 117 2HB ASN 14 1HB ASN 14 3.111 8.387 -13.728 118 1HD2 ASN 14 2HD2 ASN 14 1.063 9.164 -17.045 119 2HD2 ASN 14 1HD2 ASN 14 0.495 9.458 -15.473 120 H ASP 15 H ASP 15 3.985 5.839 -12.288 121 HA ASP 15 HA ASP 15 5.983 4.668 -12.586 122 1HB ASP 15 2HB ASP 15 4.819 3.683 -15.205 123 2HB ASP 15 1HB ASP 15 6.073 2.919 -14.231 124 H LYS 16 H LYS 16 5.386 7.390 -13.942 125 HA LYS 16 HA LYS 16 7.287 7.292 -16.203 126 1HB LYS 16 2HB LYS 16 6.713 9.674 -16.507 127 2HB LYS 16 1HB LYS 16 5.255 8.689 -16.412 128 1HG LYS 16 2HG LYS 16 4.915 9.319 -14.087 129 2HG LYS 16 1HG LYS 16 6.450 10.188 -14.061 130 1HD LYS 16 2HD LYS 16 4.342 10.908 -16.081 131 2HD LYS 16 1HD LYS 16 4.247 11.539 -14.437 132 1HE LYS 16 2HE LYS 16 6.851 12.050 -14.970 133 2HE LYS 16 1HE LYS 16 6.182 12.175 -16.597 134 1HZ LYS 16 2HZ LYS 16 4.391 13.598 -15.451 135 2HZ LYS 16 1HZ LYS 16 5.531 13.759 -14.202 136 3HZ LYS 16 3HZ LYS 16 5.909 14.294 -15.766 137 H SER 17 H SER 17 7.098 8.431 -12.881 138 HA SER 17 HA SER 17 9.898 9.448 -13.067 139 1HB SER 17 2HB SER 17 9.359 10.386 -10.763 140 2HB SER 17 1HB SER 17 8.423 11.073 -12.088 141 HG SER 17 HG SER 17 6.747 10.427 -11.009 142 H ASN 18 H ASN 18 7.794 7.164 -11.398 143 HA ASN 18 HA ASN 18 10.198 5.957 -10.092 144 1HB ASN 18 2HB ASN 18 8.253 4.653 -8.821 145 2HB ASN 18 1HB ASN 18 8.768 6.245 -8.286 146 1HD2 ASN 18 2HD2 ASN 18 5.508 7.495 -8.639 147 2HD2 ASN 18 1HD2 ASN 18 6.977 7.499 -7.788 148 H GLU 19 H GLU 19 9.845 5.522 -12.780 149 HA GLU 19 HA GLU 19 8.307 3.286 -13.574 150 1HB GLU 19 2HB GLU 19 9.966 3.075 -15.416 151 2HB GLU 19 1HB GLU 19 9.454 4.742 -15.173 152 1HG GLU 19 2HG GLU 19 11.672 4.330 -13.444 153 2HG GLU 19 1HG GLU 19 12.117 3.635 -15.001 154 H LYS 20 H LYS 20 11.168 3.411 -11.594 155 HA LYS 20 HA LYS 20 11.589 0.478 -11.913 156 1HB LYS 20 2HB LYS 20 13.303 2.780 -11.174 157 2HB LYS 20 1HB LYS 20 13.589 1.308 -10.248 158 1HG LYS 20 2HG LYS 20 14.064 0.042 -12.208 159 2HG LYS 20 1HG LYS 20 13.421 1.297 -13.265 160 1HD LYS 20 2HD LYS 20 15.626 2.138 -11.464 161 2HD LYS 20 1HD LYS 20 16.069 1.007 -12.743 162 1HE LYS 20 2HE LYS 20 14.316 3.242 -13.586 163 2HE LYS 20 1HE LYS 20 15.948 3.702 -13.099 164 1HZ LYS 20 2HZ LYS 20 15.407 1.488 -14.990 165 2HZ LYS 20 1HZ LYS 20 15.647 3.088 -15.503 166 3HZ LYS 20 3HZ LYS 20 16.886 2.266 -14.688 167 H PHE 21 H PHE 21 9.259 1.395 -10.465 168 HA PHE 21 HA PHE 21 9.866 0.125 -7.867 169 1HB PHE 21 2HB PHE 21 8.666 2.897 -8.073 170 2HB PHE 21 1HB PHE 21 8.768 1.950 -6.592 171 HD1 PHE 21 HD1 PHE 21 11.164 1.000 -6.018 172 HD2 PHE 21 HD2 PHE 21 10.421 4.352 -8.602 173 HE1 PHE 21 HE1 PHE 21 13.488 1.789 -5.661 174 HE2 PHE 21 HE2 PHE 21 12.747 5.140 -8.246 175 HZ PHE 21 HZ PHE 21 14.280 3.859 -6.774 176 H ILE 22 H ILE 22 7.053 2.093 -8.892 177 HA ILE 22 HA ILE 22 5.356 -0.301 -8.410 178 HB ILE 22 HB ILE 22 4.755 1.772 -7.219 179 1HG1 ILE 22 2HG1 ILE 22 2.702 1.296 -9.392 180 2HG1 ILE 22 1HG1 ILE 22 3.009 0.115 -8.120 181 1HG2 ILE 22 3HG2 ILE 22 4.600 2.885 -10.025 182 2HG2 ILE 22 2HG2 ILE 22 3.795 3.654 -8.657 183 3HG2 ILE 22 1HG2 ILE 22 5.551 3.488 -8.668 184 1HD1 ILE 22 2HD1 ILE 22 2.723 2.707 -6.911 185 2HD1 ILE 22 1HD1 ILE 22 1.359 2.427 -7.989 186 3HD1 ILE 22 3HD1 ILE 22 1.710 1.279 -6.700 187 H HIS 23 H HIS 23 3.568 -0.722 -9.950 188 HA HIS 23 HA HIS 23 3.815 0.366 -12.669 189 1HB HIS 23 2HB HIS 23 4.797 -2.341 -11.896 190 2HB HIS 23 1HB HIS 23 3.881 -2.224 -13.398 191 HD1 HIS 23 HD1 HIS 23 7.234 -1.994 -12.222 192 HD2 HIS 23 HD2 HIS 23 5.010 0.134 -15.034 193 HE1 HIS 23 HE1 HIS 23 8.907 -0.835 -13.728 194 H TRP 24 H TRP 24 2.042 -0.452 -14.070 195 HA TRP 24 HA TRP 24 -0.428 -0.758 -12.548 196 1HB TRP 24 2HB TRP 24 0.260 -0.567 -15.475 197 2HB TRP 24 1HB TRP 24 -1.366 -1.014 -14.966 198 HD1 TRP 24 HD1 TRP 24 1.038 1.619 -13.455 199 HE1 TRP 24 HE1 TRP 24 -0.205 3.877 -13.378 200 HE3 TRP 24 HE3 TRP 24 -3.343 0.293 -15.714 201 HZ2 TRP 24 HZ2 TRP 24 -2.723 4.977 -14.173 202 HZ3 TRP 24 HZ3 TRP 24 -5.145 1.963 -16.043 203 HH2 TRP 24 HH2 TRP 24 -4.841 4.300 -15.277 204 H SER 25 H SER 25 -2.028 -2.527 -13.397 205 HA SER 25 HA SER 25 -0.775 -5.116 -12.903 206 1HB SER 25 2HB SER 25 -2.988 -5.977 -12.824 207 2HB SER 25 1HB SER 25 -3.114 -4.354 -12.156 208 HG SER 25 HG SER 25 -4.582 -5.207 -14.004 209 H THR 26 H THR 26 -2.159 -6.846 -14.560 210 HA THR 26 HA THR 26 -0.683 -6.532 -17.072 211 HB THR 26 HB THR 26 -2.704 -8.672 -16.346 212 HG1 THR 26 HG1 THR 26 -1.213 -8.849 -14.793 213 1HG2 THR 26 1HG2 THR 26 -2.006 -8.488 -18.733 214 2HG2 THR 26 3HG2 THR 26 -0.329 -8.686 -18.227 215 3HG2 THR 26 2HG2 THR 26 -1.482 -9.999 -17.988 216 H SER 27 H SER 27 -4.096 -6.585 -16.056 217 HA SER 27 HA SER 27 -5.037 -6.061 -18.779 218 1HB SER 27 2HB SER 27 -6.211 -6.779 -16.212 219 2HB SER 27 1HB SER 27 -7.139 -5.516 -17.018 220 HG SER 27 HG SER 27 -6.851 -8.149 -17.641 221 H GLY 28 H GLY 28 -3.614 -4.095 -16.443 222 1HA GLY 28 2HA GLY 28 -3.334 -1.754 -16.464 223 2HA GLY 28 1HA GLY 28 -4.417 -1.679 -17.855 224 H GLU 29 H GLU 29 -4.554 -2.419 -14.352 225 HA GLU 29 HA GLU 29 -6.659 -0.470 -13.919 226 1HB GLU 29 2HB GLU 29 -7.641 -2.748 -14.988 227 2HB GLU 29 1HB GLU 29 -7.643 -3.204 -13.284 228 1HG GLU 29 2HG GLU 29 -8.968 -1.245 -12.711 229 2HG GLU 29 1HG GLU 29 -8.875 -0.656 -14.370 230 H SER 30 H SER 30 -5.284 -3.526 -12.654 231 HA SER 30 HA SER 30 -5.522 -2.522 -9.892 232 1HB SER 30 2HB SER 30 -4.032 -5.030 -10.543 233 2HB SER 30 1HB SER 30 -5.135 -4.694 -9.212 234 HG SER 30 HG SER 30 -6.837 -4.997 -10.538 235 H ILE 31 H ILE 31 -3.261 -3.380 -8.642 236 HA ILE 31 HA ILE 31 -1.037 -1.954 -10.045 237 HB ILE 31 HB ILE 31 -1.668 -1.842 -7.079 238 1HG1 ILE 31 2HG1 ILE 31 -1.923 0.389 -9.113 239 2HG1 ILE 31 1HG1 ILE 31 -3.281 -0.649 -8.681 240 1HG2 ILE 31 3HG2 ILE 31 0.472 -0.649 -8.841 241 2HG2 ILE 31 2HG2 ILE 31 0.003 0.138 -7.335 242 3HG2 ILE 31 1HG2 ILE 31 0.654 -1.500 -7.307 243 1HD1 ILE 31 1HD1 ILE 31 -1.661 1.002 -6.720 244 2HD1 ILE 31 3HD1 ILE 31 -3.258 1.432 -7.333 245 3HD1 ILE 31 2HD1 ILE 31 -3.056 0.000 -6.324 246 H VAL 32 H VAL 32 1.124 -2.625 -9.334 247 HA VAL 32 HA VAL 32 1.253 -5.231 -7.903 248 HB VAL 32 HB VAL 32 2.608 -4.701 -10.568 249 1HG1 VAL 32 2HG1 VAL 32 3.816 -6.222 -9.007 250 2HG1 VAL 32 1HG1 VAL 32 2.372 -7.230 -8.908 251 3HG1 VAL 32 3HG1 VAL 32 3.228 -7.063 -10.440 252 1HG2 VAL 32 2HG2 VAL 32 0.138 -6.287 -9.824 253 2HG2 VAL 32 1HG2 VAL 32 0.266 -4.980 -11.002 254 3HG2 VAL 32 3HG2 VAL 32 1.018 -6.541 -11.331 255 H VAL 33 H VAL 33 2.916 -5.188 -6.443 256 HA VAL 33 HA VAL 33 5.000 -3.067 -6.796 257 HB VAL 33 HB VAL 33 4.026 -4.319 -4.210 258 1HG1 VAL 33 2HG1 VAL 33 6.363 -3.517 -4.141 259 2HG1 VAL 33 1HG1 VAL 33 5.842 -1.946 -4.752 260 3HG1 VAL 33 3HG1 VAL 33 5.316 -2.493 -3.160 261 1HG2 VAL 33 3HG2 VAL 33 3.189 -1.916 -5.774 262 2HG2 VAL 33 2HG2 VAL 33 2.227 -2.975 -4.744 263 3HG2 VAL 33 1HG2 VAL 33 3.274 -1.755 -4.020 264 HA PRO 34 HA PRO 34 7.260 -7.009 -6.933 265 1HB PRO 34 2HB PRO 34 9.214 -6.187 -8.675 266 2HB PRO 34 1HB PRO 34 7.668 -6.874 -9.203 267 1HG PRO 34 2HG PRO 34 8.589 -4.048 -9.282 268 2HG PRO 34 1HG PRO 34 7.386 -4.867 -10.292 269 1HD PRO 34 2HD PRO 34 6.841 -3.136 -8.118 270 2HD PRO 34 1HD PRO 34 5.673 -4.182 -8.946 271 H ASN 35 H ASN 35 8.423 -3.678 -6.732 272 HA ASN 35 HA ASN 35 10.530 -4.571 -4.808 273 1HB ASN 35 2HB ASN 35 10.581 -2.712 -7.065 274 2HB ASN 35 1HB ASN 35 11.135 -1.944 -5.579 275 1HD2 ASN 35 2HD2 ASN 35 13.985 -3.768 -7.297 276 2HD2 ASN 35 1HD2 ASN 35 12.851 -2.639 -7.861 277 H ARG 36 H ARG 36 8.740 -4.520 -3.201 278 HA ARG 36 HA ARG 36 7.538 -1.926 -2.558 279 1HB ARG 36 2HB ARG 36 6.443 -4.225 -2.227 280 2HB ARG 36 1HB ARG 36 7.507 -4.409 -0.831 281 1HG ARG 36 2HG ARG 36 6.463 -1.868 -0.464 282 2HG ARG 36 1HG ARG 36 5.096 -2.756 -1.139 283 1HD ARG 36 2HD ARG 36 4.772 -3.418 1.017 284 2HD ARG 36 1HD ARG 36 6.053 -4.576 0.659 285 HE ARG 36 HE ARG 36 6.819 -1.915 1.741 286 1HH1 ARG 36 1HH2 ARG 36 8.824 -4.079 1.543 287 2HH1 ARG 36 2HH2 ARG 36 8.826 -4.748 3.141 288 1HH2 ARG 36 2HH1 ARG 36 5.799 -3.308 4.029 289 2HH2 ARG 36 1HH1 ARG 36 7.113 -4.311 4.548 290 H GLU 37 H GLU 37 10.299 -3.797 -1.524 291 HA GLU 37 HA GLU 37 10.698 -2.567 1.033 292 1HB GLU 37 2HB GLU 37 13.011 -3.420 0.849 293 2HB GLU 37 1HB GLU 37 11.840 -4.650 0.375 294 1HG GLU 37 2HG GLU 37 12.201 -3.994 -2.022 295 2HG GLU 37 1HG GLU 37 13.471 -2.894 -1.485 296 H ARG 38 H ARG 38 11.715 -1.630 -2.230 297 HA ARG 38 HA ARG 38 13.176 0.700 -1.114 298 1HB ARG 38 2HB ARG 38 13.532 -0.966 -3.387 299 2HB ARG 38 1HB ARG 38 13.134 0.635 -4.005 300 1HG ARG 38 2HG ARG 38 15.100 1.530 -3.300 301 2HG ARG 38 1HG ARG 38 15.053 0.664 -1.766 302 1HD ARG 38 2HD ARG 38 16.697 -0.641 -2.604 303 2HD ARG 38 1HD ARG 38 15.465 -1.356 -3.643 304 HE ARG 38 HE ARG 38 16.121 0.641 -5.227 305 1HH1 ARG 38 1HH2 ARG 38 18.358 1.910 -4.532 306 2HH1 ARG 38 2HH2 ARG 38 19.709 0.864 -4.819 307 1HH2 ARG 38 2HH1 ARG 38 17.782 -2.015 -4.968 308 2HH2 ARG 38 1HH1 ARG 38 19.382 -1.360 -5.065 309 H PHE 39 H PHE 39 10.238 -0.094 -2.844 310 HA PHE 39 HA PHE 39 9.600 2.453 -3.925 311 1HB PHE 39 2HB PHE 39 8.291 0.562 -4.600 312 2HB PHE 39 1HB PHE 39 7.887 0.156 -2.936 313 HD1 PHE 39 HD2 PHE 39 6.397 1.716 -1.613 314 HD2 PHE 39 HD1 PHE 39 6.939 2.097 -5.864 315 HE1 PHE 39 HE2 PHE 39 4.323 3.073 -1.761 316 HE2 PHE 39 HE1 PHE 39 4.869 3.454 -6.004 317 HZ PHE 39 HZ PHE 39 3.564 3.938 -3.953 318 H VAL 40 H VAL 40 8.994 1.133 -0.661 319 HA VAL 40 HA VAL 40 7.462 3.420 0.198 320 HB VAL 40 HB VAL 40 8.983 1.433 1.909 321 1HG1 VAL 40 3HG1 VAL 40 6.671 3.313 2.470 322 2HG1 VAL 40 2HG1 VAL 40 7.187 2.034 3.568 323 3HG1 VAL 40 1HG1 VAL 40 8.280 3.366 3.191 324 1HG2 VAL 40 3HG2 VAL 40 6.451 1.266 0.361 325 2HG2 VAL 40 2HG2 VAL 40 7.551 -0.018 0.859 326 3HG2 VAL 40 1HG2 VAL 40 6.391 0.642 2.010 327 H GLN 41 H GLN 41 10.788 2.412 0.952 328 HA GLN 41 HA GLN 41 11.508 4.670 2.490 329 1HB GLN 41 2HB GLN 41 12.800 2.522 2.275 330 2HB GLN 41 1HB GLN 41 13.392 3.106 0.718 331 1HG GLN 41 2HG GLN 41 14.409 5.046 1.771 332 2HG GLN 41 1HG GLN 41 13.706 4.614 3.330 333 1HE2 GLN 41 2HE2 GLN 41 15.983 1.833 3.815 334 2HE2 GLN 41 1HE2 GLN 41 14.368 2.277 4.093 335 H GLU 42 H GLU 42 11.268 4.463 -1.018 336 HA GLU 42 HA GLU 42 12.589 7.152 -1.157 337 1HB GLU 42 2HB GLU 42 12.467 4.912 -3.179 338 2HB GLU 42 1HB GLU 42 12.992 6.544 -3.588 339 1HG GLU 42 2HG GLU 42 14.225 5.095 -1.255 340 2HG GLU 42 1HG GLU 42 14.799 4.795 -2.896 341 H VAL 43 H VAL 43 10.067 5.216 -2.800 342 HA VAL 43 HA VAL 43 8.926 7.595 -4.028 343 HB VAL 43 HB VAL 43 7.704 4.831 -3.842 344 1HG1 VAL 43 1HG1 VAL 43 7.217 7.295 -5.505 345 2HG1 VAL 43 3HG1 VAL 43 6.786 5.698 -6.118 346 3HG1 VAL 43 2HG1 VAL 43 6.049 6.300 -4.634 347 1HG2 VAL 43 3HG2 VAL 43 10.003 4.768 -4.789 348 2HG2 VAL 43 2HG2 VAL 43 8.786 4.418 -6.016 349 3HG2 VAL 43 1HG2 VAL 43 9.543 6.008 -5.955 350 H LEU 44 H LEU 44 8.575 6.305 -0.874 351 HA LEU 44 HA LEU 44 5.750 7.101 -0.616 352 1HB LEU 44 2HB LEU 44 6.948 5.223 0.723 353 2HB LEU 44 1HB LEU 44 7.553 6.534 1.727 354 HG LEU 44 HG LEU 44 5.107 7.319 1.873 355 1HD1 LEU 44 3HD1 LEU 44 4.864 4.813 0.336 356 2HD1 LEU 44 2HD1 LEU 44 3.767 4.923 1.713 357 3HD1 LEU 44 1HD1 LEU 44 3.745 6.171 0.467 358 1HD2 LEU 44 2HD2 LEU 44 6.582 5.289 3.326 359 2HD2 LEU 44 1HD2 LEU 44 5.440 6.483 3.943 360 3HD2 LEU 44 3HD2 LEU 44 4.858 4.922 3.369 361 HA PRO 45 HA PRO 45 7.640 10.591 1.980 362 1HB PRO 45 2HB PRO 45 10.308 11.161 1.713 363 2HB PRO 45 1HB PRO 45 9.656 10.119 2.990 364 1HG PRO 45 2HG PRO 45 11.158 9.366 0.534 365 2HG PRO 45 1HG PRO 45 11.045 8.519 2.087 366 1HD PRO 45 2HD PRO 45 9.646 7.851 -0.265 367 2HD PRO 45 1HD PRO 45 9.310 7.238 1.359 368 H LYS 46 H LYS 46 8.846 9.828 -1.222 369 HA LYS 46 HA LYS 46 9.502 12.401 -2.196 370 1HB LYS 46 2HB LYS 46 9.052 9.799 -3.292 371 2HB LYS 46 1HB LYS 46 8.118 10.942 -4.255 372 1HG LYS 46 2HG LYS 46 10.074 12.274 -4.710 373 2HG LYS 46 1HG LYS 46 11.035 11.356 -3.551 374 1HD LYS 46 2HD LYS 46 11.237 9.528 -4.951 375 2HD LYS 46 1HD LYS 46 9.710 9.856 -5.769 376 1HE LYS 46 2HE LYS 46 11.949 11.824 -6.060 377 2HE LYS 46 1HE LYS 46 12.007 10.328 -6.993 378 1HZ LYS 46 2HZ LYS 46 9.571 10.948 -7.549 379 2HZ LYS 46 1HZ LYS 46 10.051 12.518 -7.113 380 3HZ LYS 46 3HZ LYS 46 10.840 11.713 -8.379 381 H TYR 47 H TYR 47 6.372 10.943 -1.583 382 HA TYR 47 HA TYR 47 5.042 13.378 -2.698 383 1HB TYR 47 2HB TYR 47 3.918 10.630 -2.059 384 2HB TYR 47 1HB TYR 47 2.963 11.995 -2.636 385 HD1 TYR 47 HD2 TYR 47 5.989 9.967 -3.516 386 HD2 TYR 47 HD1 TYR 47 2.707 12.347 -4.937 387 HE1 TYR 47 HE2 TYR 47 6.596 9.409 -5.855 388 HE2 TYR 47 HE1 TYR 47 3.314 11.789 -7.276 389 HH TYR 47 HH TYR 47 6.243 10.523 -8.160 390 H PHE 48 H PHE 48 4.549 11.040 -0.033 391 HA PHE 48 HA PHE 48 3.318 13.140 1.621 392 1HB PHE 48 2HB PHE 48 3.813 10.181 1.974 393 2HB PHE 48 1HB PHE 48 3.254 11.183 3.312 394 HD1 PHE 48 HD1 PHE 48 1.345 12.995 2.323 395 HD2 PHE 48 HD2 PHE 48 2.087 8.979 0.985 396 HE1 PHE 48 HE1 PHE 48 -0.975 12.856 1.456 397 HE2 PHE 48 HE2 PHE 48 -0.232 8.842 0.116 398 HZ PHE 48 HZ PHE 48 -1.763 10.780 0.352 399 H LYS 49 H LYS 49 4.209 12.701 4.135 400 HA LYS 49 HA LYS 49 7.181 12.907 4.020 401 1HB LYS 49 2HB LYS 49 6.613 14.680 6.029 402 2HB LYS 49 1HB LYS 49 6.961 15.147 4.372 403 1HG LYS 49 2HG LYS 49 4.138 14.536 5.257 404 2HG LYS 49 1HG LYS 49 4.843 16.137 5.478 405 1HD LYS 49 2HD LYS 49 5.517 15.670 2.887 406 2HD LYS 49 1HD LYS 49 4.005 14.769 2.984 407 1HE LYS 49 2HE LYS 49 2.954 16.831 4.014 408 2HE LYS 49 1HE LYS 49 4.439 17.697 3.617 409 1HZ LYS 49 2HZ LYS 49 4.074 16.838 1.277 410 2HZ LYS 49 1HZ LYS 49 2.498 16.444 1.772 411 3HZ LYS 49 3HZ LYS 49 3.020 18.057 1.815 412 H HIS 50 H HIS 50 4.668 13.150 6.558 413 HA HIS 50 HA HIS 50 6.216 11.166 8.140 414 1HB HIS 50 2HB HIS 50 3.947 13.026 8.902 415 2HB HIS 50 1HB HIS 50 4.723 11.894 10.011 416 HD1 HIS 50 HD1 HIS 50 5.480 14.962 7.927 417 HD2 HIS 50 HD2 HIS 50 7.217 12.732 10.991 418 HE1 HIS 50 HE1 HIS 50 7.498 16.276 8.714 419 H SER 51 H SER 51 4.742 10.222 5.879 420 HA SER 51 HA SER 51 2.337 8.925 7.049 421 1HB SER 51 2HB SER 51 1.745 8.334 4.805 422 2HB SER 51 1HB SER 51 2.335 9.991 4.723 423 HG SER 51 HG SER 51 3.176 8.137 3.247 424 H ASN 52 H ASN 52 2.439 6.533 5.507 425 HA ASN 52 HA ASN 52 4.950 5.146 5.858 426 1HB ASN 52 2HB ASN 52 3.919 5.488 8.250 427 2HB ASN 52 1HB ASN 52 2.834 4.185 7.763 428 1HD2 ASN 52 2HD2 ASN 52 5.368 1.962 8.910 429 2HD2 ASN 52 1HD2 ASN 52 3.787 2.530 9.151 430 H PHE 53 H PHE 53 4.688 2.791 5.357 431 HA PHE 53 HA PHE 53 3.044 2.333 3.102 432 1HB PHE 53 2HB PHE 53 3.485 -0.134 3.596 433 2HB PHE 53 1HB PHE 53 4.916 0.881 3.431 434 HD1 PHE 53 HD1 PHE 53 2.603 -0.639 5.939 435 HD2 PHE 53 HD2 PHE 53 6.457 1.111 5.215 436 HE1 PHE 53 HE1 PHE 53 3.323 -1.283 8.224 437 HE2 PHE 53 HE2 PHE 53 7.178 0.469 7.500 438 HZ PHE 53 HZ PHE 53 5.611 -0.728 9.003 439 H ALA 54 H ALA 54 2.367 1.885 6.521 440 HA ALA 54 HA ALA 54 -0.023 0.296 6.181 441 1HB ALA 54 1HB ALA 54 1.270 0.483 8.324 442 2HB ALA 54 3HB ALA 54 0.691 2.142 8.480 443 3HB ALA 54 2HB ALA 54 -0.454 0.800 8.521 444 H SER 55 H SER 55 0.618 3.775 6.426 445 HA SER 55 HA SER 55 -2.167 4.558 6.470 446 1HB SER 55 2HB SER 55 0.461 5.889 6.297 447 2HB SER 55 1HB SER 55 -0.841 6.745 5.478 448 HG SER 55 HG SER 55 -0.955 7.408 7.552 449 H PHE 56 H PHE 56 0.095 3.733 3.932 450 HA PHE 56 HA PHE 56 -1.378 5.013 1.780 451 1HB PHE 56 2HB PHE 56 1.054 4.413 1.653 452 2HB PHE 56 1HB PHE 56 0.593 2.713 1.626 453 HD1 PHE 56 HD2 PHE 56 -0.931 5.701 -0.049 454 HD2 PHE 56 HD1 PHE 56 1.013 1.902 -0.536 455 HE1 PHE 56 HE2 PHE 56 -1.274 5.840 -2.501 456 HE2 PHE 56 HE1 PHE 56 0.671 2.043 -2.989 457 HZ PHE 56 HZ PHE 56 -0.474 4.012 -3.972 458 H VAL 57 H VAL 57 -1.117 1.652 2.941 459 HA VAL 57 HA VAL 57 -3.015 0.579 1.061 460 HB VAL 57 HB VAL 57 -2.241 -0.491 3.793 461 1HG1 VAL 57 2HG1 VAL 57 -3.460 -1.782 1.334 462 2HG1 VAL 57 1HG1 VAL 57 -2.811 -2.689 2.701 463 3HG1 VAL 57 3HG1 VAL 57 -4.199 -1.625 2.928 464 1HG2 VAL 57 3HG2 VAL 57 -0.320 -0.007 2.223 465 2HG2 VAL 57 2HG2 VAL 57 -0.488 -1.708 2.654 466 3HG2 VAL 57 1HG2 VAL 57 -1.047 -1.137 1.082 467 H ARG 58 H ARG 58 -3.329 2.105 4.212 468 HA ARG 58 HA ARG 58 -6.055 1.280 4.702 469 1HB ARG 58 2HB ARG 58 -4.410 2.196 6.421 470 2HB ARG 58 1HB ARG 58 -4.732 3.794 5.744 471 1HG ARG 58 2HG ARG 58 -6.258 3.594 7.549 472 2HG ARG 58 1HG ARG 58 -7.224 3.254 6.111 473 1HD ARG 58 2HD ARG 58 -7.410 1.007 6.594 474 2HD ARG 58 1HD ARG 58 -5.858 0.950 7.431 475 HE ARG 58 HE ARG 58 -7.367 2.500 9.112 476 1HH1 ARG 58 1HH2 ARG 58 -9.201 0.434 7.344 477 2HH1 ARG 58 2HH2 ARG 58 -9.652 -0.618 8.644 478 1HH2 ARG 58 2HH1 ARG 58 -7.378 0.733 10.883 479 2HH2 ARG 58 1HH1 ARG 58 -8.622 -0.448 10.645 480 H GLN 59 H GLN 59 -4.614 4.259 3.369 481 HA GLN 59 HA GLN 59 -7.050 5.659 2.897 482 1HB GLN 59 2HB GLN 59 -4.350 5.751 1.546 483 2HB GLN 59 1HB GLN 59 -5.669 6.824 1.080 484 1HG GLN 59 2HG GLN 59 -4.494 6.592 3.867 485 2HG GLN 59 1HG GLN 59 -4.163 7.894 2.727 486 1HE2 GLN 59 2HE2 GLN 59 -6.954 8.960 5.015 487 2HE2 GLN 59 1HE2 GLN 59 -5.361 8.434 5.272 488 H LEU 60 H LEU 60 -5.298 3.268 0.973 489 HA LEU 60 HA LEU 60 -6.833 3.535 -1.428 490 1HB LEU 60 2HB LEU 60 -5.249 1.237 -0.255 491 2HB LEU 60 1HB LEU 60 -6.013 1.153 -1.842 492 HG LEU 60 HG LEU 60 -4.191 3.443 -1.128 493 1HD1 LEU 60 3HD1 LEU 60 -3.497 0.617 -1.762 494 2HD1 LEU 60 2HD1 LEU 60 -2.574 1.866 -2.599 495 3HD1 LEU 60 1HD1 LEU 60 -2.594 1.817 -0.837 496 1HD2 LEU 60 3HD2 LEU 60 -5.246 2.157 -3.651 497 2HD2 LEU 60 2HD2 LEU 60 -5.401 3.836 -3.132 498 3HD2 LEU 60 1HD2 LEU 60 -3.841 3.223 -3.683 499 H ASN 61 H ASN 61 -7.185 1.340 1.369 500 HA ASN 61 HA ASN 61 -9.515 -0.001 0.347 501 1HB ASN 61 2HB ASN 61 -8.111 0.182 2.970 502 2HB ASN 61 1HB ASN 61 -9.779 -0.394 2.982 503 1HD2 ASN 61 2HD2 ASN 61 -6.863 -2.690 1.243 504 2HD2 ASN 61 1HD2 ASN 61 -6.544 -1.066 1.622 505 H MET 62 H MET 62 -9.096 3.090 1.888 506 HA MET 62 HA MET 62 -11.891 3.255 2.781 507 1HB MET 62 2HB MET 62 -9.527 5.113 2.837 508 2HB MET 62 1HB MET 62 -11.148 5.727 3.158 509 1HG MET 62 2HG MET 62 -11.431 4.060 4.953 510 2HG MET 62 1HG MET 62 -9.810 3.440 4.634 511 1HE MET 62 2HE MET 62 -10.469 4.036 7.358 512 2HE MET 62 1HE MET 62 -10.165 5.629 8.044 513 3HE MET 62 3HE MET 62 -11.642 5.328 7.118 514 H TYR 63 H TYR 63 -10.288 3.743 -0.199 515 HA TYR 63 HA TYR 63 -12.357 5.701 -1.079 516 1HB TYR 63 2HB TYR 63 -9.630 4.965 -2.126 517 2HB TYR 63 1HB TYR 63 -10.801 5.794 -3.154 518 HD1 TYR 63 HD2 TYR 63 -12.120 7.755 -1.738 519 HD2 TYR 63 HD1 TYR 63 -8.109 6.369 -1.066 520 HE1 TYR 63 HE2 TYR 63 -11.559 9.909 -0.641 521 HE2 TYR 63 HE1 TYR 63 -7.549 8.520 0.032 522 HH TYR 63 HH TYR 63 -9.394 10.467 1.313 523 H GLY 64 H GLY 64 -10.804 2.647 -2.082 524 1HA GLY 64 2HA GLY 64 -13.012 1.175 -2.773 525 2HA GLY 64 1HA GLY 64 -12.789 2.209 -4.185 526 H TRP 65 H TRP 65 -10.389 0.634 -2.060 527 HA TRP 65 HA TRP 65 -9.396 -0.851 -4.460 528 1HB TRP 65 2HB TRP 65 -7.849 0.720 -2.400 529 2HB TRP 65 1HB TRP 65 -7.084 -0.539 -3.368 530 HD1 TRP 65 HD1 TRP 65 -8.869 2.846 -3.731 531 HE1 TRP 65 HE1 TRP 65 -8.206 3.879 -6.001 532 HE3 TRP 65 HE3 TRP 65 -6.190 -1.024 -5.708 533 HZ2 TRP 65 HZ2 TRP 65 -6.731 3.153 -8.345 534 HZ3 TRP 65 HZ3 TRP 65 -5.167 -0.827 -7.956 535 HH2 TRP 65 HH2 TRP 65 -5.434 1.254 -9.276 536 H HIS 66 H HIS 66 -7.732 -2.624 -3.571 537 HA HIS 66 HA HIS 66 -8.495 -3.721 -0.951 538 1HB HIS 66 2HB HIS 66 -9.307 -5.002 -3.564 539 2HB HIS 66 1HB HIS 66 -9.104 -5.952 -2.093 540 HD1 HIS 66 HD1 HIS 66 -11.745 -4.592 -3.866 541 HD2 HIS 66 HD2 HIS 66 -10.618 -4.218 0.130 542 HE1 HIS 66 HE1 HIS 66 -13.819 -3.877 -2.602 543 H LYS 67 H LYS 67 -7.403 -6.067 -0.848 544 HA LYS 67 HA LYS 67 -4.902 -6.212 -2.403 545 1HB LYS 67 2HB LYS 67 -3.883 -6.693 0.120 546 2HB LYS 67 1HB LYS 67 -3.663 -5.204 -0.786 547 1HG LYS 67 2HG LYS 67 -4.432 -4.569 1.394 548 2HG LYS 67 1HG LYS 67 -5.802 -4.356 0.307 549 1HD LYS 67 2HD LYS 67 -6.591 -5.486 2.299 550 2HD LYS 67 1HD LYS 67 -6.600 -6.647 0.973 551 1HE LYS 67 2HE LYS 67 -4.999 -7.937 1.938 552 2HE LYS 67 1HE LYS 67 -4.047 -6.541 2.441 553 1HZ LYS 67 2HZ LYS 67 -6.589 -7.246 3.774 554 2HZ LYS 67 1HZ LYS 67 -5.115 -7.941 4.251 555 3HZ LYS 67 3HZ LYS 67 -5.329 -6.262 4.349 556 H VAL 68 H VAL 68 -4.093 -8.336 -2.499 557 HA VAL 68 HA VAL 68 -5.852 -10.389 -1.221 558 HB VAL 68 HB VAL 68 -5.136 -11.871 -3.094 559 1HG1 VAL 68 3HG1 VAL 68 -7.106 -10.100 -3.107 560 2HG1 VAL 68 2HG1 VAL 68 -6.120 -9.336 -4.355 561 3HG1 VAL 68 1HG1 VAL 68 -6.694 -10.989 -4.574 562 1HG2 VAL 68 2HG2 VAL 68 -2.955 -10.662 -3.478 563 2HG2 VAL 68 1HG2 VAL 68 -3.877 -10.949 -4.954 564 3HG2 VAL 68 3HG2 VAL 68 -3.873 -9.348 -4.214 565 H GLN 69 H GLN 69 -4.753 -12.450 -0.650 566 HA GLN 69 HA GLN 69 -3.096 -13.621 0.520 567 1HB GLN 69 2HB GLN 69 -1.593 -12.045 -1.518 568 2HB GLN 69 1HB GLN 69 -0.662 -12.775 -0.208 569 1HG GLN 69 2HG GLN 69 -1.191 -14.938 -0.848 570 2HG GLN 69 1HG GLN 69 -2.713 -14.454 -1.597 571 1HE2 GLN 69 2HE2 GLN 69 0.768 -14.128 -3.757 572 2HE2 GLN 69 1HE2 GLN 69 0.846 -14.240 -2.066 573 H ASP 70 H ASP 70 -3.750 -12.601 2.522 574 HA ASP 70 HA ASP 70 -1.613 -11.337 3.939 575 1HB ASP 70 2HB ASP 70 -2.499 -9.432 2.430 576 2HB ASP 70 1HB ASP 70 -3.926 -9.452 3.464 577 H VAL 71 H VAL 71 -2.914 -13.494 4.708 578 HA VAL 71 HA VAL 71 -4.717 -12.541 6.891 579 HB VAL 71 HB VAL 71 -6.032 -14.650 6.604 580 1HG1 VAL 71 1HG1 VAL 71 -5.850 -12.780 4.223 581 2HG1 VAL 71 3HG1 VAL 71 -7.186 -13.896 4.512 582 3HG1 VAL 71 2HG1 VAL 71 -6.876 -12.579 5.643 583 1HG2 VAL 71 1HG2 VAL 71 -4.340 -14.867 4.092 584 2HG2 VAL 71 3HG2 VAL 71 -4.334 -15.990 5.452 585 3HG2 VAL 71 2HG2 VAL 71 -5.765 -15.850 4.429 586 H LYS 72 H LYS 72 -4.820 -14.119 8.711 587 HA LYS 72 HA LYS 72 -2.152 -15.021 9.420 588 1HB LYS 72 2HB LYS 72 -4.485 -14.316 10.804 589 2HB LYS 72 1HB LYS 72 -4.281 -16.033 11.141 590 1HG LYS 72 2HG LYS 72 -3.060 -14.823 12.828 591 2HG LYS 72 1HG LYS 72 -1.874 -15.538 11.738 592 1HD LYS 72 2HD LYS 72 -1.129 -13.517 11.035 593 2HD LYS 72 1HD LYS 72 -2.762 -12.874 10.874 594 1HE LYS 72 2HE LYS 72 -1.911 -11.572 12.617 595 2HE LYS 72 1HE LYS 72 -2.728 -12.864 13.497 596 1HZ LYS 72 2HZ LYS 72 -0.567 -14.051 13.543 597 2HZ LYS 72 1HZ LYS 72 0.170 -12.668 12.889 598 3HZ LYS 72 3HZ LYS 72 -0.565 -12.593 14.416 599 H SER 73 H SER 73 -4.810 -16.498 7.788 600 HA SER 73 HA SER 73 -4.036 -19.234 8.567 601 1HB SER 73 2HB SER 73 -5.946 -18.670 6.333 602 2HB SER 73 1HB SER 73 -6.002 -19.930 7.562 603 HG SER 73 HG SER 73 -6.510 -18.294 9.082 604 H GLY 74 H GLY 74 -1.791 -18.645 7.649 605 1HA GLY 74 2HA GLY 74 -1.689 -19.611 4.835 606 2HA GLY 74 1HA GLY 74 -0.793 -18.152 5.264 607 H SER 75 H SER 75 -1.072 -21.618 5.930 608 HA SER 75 HA SER 75 1.241 -21.769 7.647 609 1HB SER 75 2HB SER 75 0.220 -24.032 5.929 610 2HB SER 75 1HB SER 75 0.995 -24.123 7.509 611 HG SER 75 HG SER 75 -1.450 -24.270 7.273 612 H MET 76 H MET 76 0.749 -21.990 4.158 613 HA MET 76 HA MET 76 3.386 -22.954 3.521 614 1HB MET 76 2HB MET 76 1.098 -21.775 2.034 615 2HB MET 76 1HB MET 76 2.683 -21.600 1.279 616 1HG MET 76 2HG MET 76 3.033 -24.070 1.612 617 2HG MET 76 1HG MET 76 1.360 -24.181 2.159 618 1HE MET 76 2HE MET 76 3.702 -24.636 -0.309 619 2HE MET 76 1HE MET 76 2.997 -24.432 -1.911 620 3HE MET 76 3HE MET 76 3.629 -23.032 -1.034 621 H LEU 77 H LEU 77 2.260 -19.735 2.475 622 HA LEU 77 HA LEU 77 4.906 -18.614 2.678 623 1HB LEU 77 2HB LEU 77 2.201 -17.659 1.971 624 2HB LEU 77 1HB LEU 77 3.235 -16.427 2.696 625 HG LEU 77 HG LEU 77 5.011 -17.515 0.988 626 1HD1 LEU 77 2HD1 LEU 77 2.893 -18.979 0.257 627 2HD1 LEU 77 1HD1 LEU 77 2.577 -17.560 -0.742 628 3HD1 LEU 77 3HD1 LEU 77 4.095 -18.440 -0.917 629 1HD2 LEU 77 1HD2 LEU 77 2.896 -15.425 0.400 630 2HD2 LEU 77 3HD2 LEU 77 4.512 -15.154 1.049 631 3HD2 LEU 77 2HD2 LEU 77 4.311 -15.690 -0.617 632 H SER 78 H SER 78 5.925 -17.909 4.480 633 HA SER 78 HA SER 78 4.789 -18.111 7.078 634 1HB SER 78 2HB SER 78 6.834 -16.535 7.627 635 2HB SER 78 1HB SER 78 7.108 -18.192 7.100 636 HG SER 78 HG SER 78 8.352 -16.611 5.944 637 H ASN 79 H ASN 79 6.060 -14.967 5.974 638 HA ASN 79 HA ASN 79 3.429 -13.721 6.582 639 1HB ASN 79 2HB ASN 79 6.060 -12.869 7.830 640 2HB ASN 79 1HB ASN 79 4.524 -12.018 8.003 641 1HD2 ASN 79 2HD2 ASN 79 5.149 -15.495 10.075 642 2HD2 ASN 79 1HD2 ASN 79 6.212 -15.051 8.829 643 H ASN 80 H ASN 80 3.245 -13.191 4.355 644 HA ASN 80 HA ASN 80 3.565 -11.877 2.437 645 1HB ASN 80 2HB ASN 80 4.595 -10.218 4.690 646 2HB ASN 80 1HB ASN 80 5.011 -9.701 3.056 647 1HD2 ASN 80 2HD2 ASN 80 1.478 -8.624 4.337 648 2HD2 ASN 80 1HD2 ASN 80 2.877 -8.856 5.269 649 H ASP 81 H ASP 81 5.542 -10.627 1.238 650 HA ASP 81 HA ASP 81 8.133 -11.922 1.738 651 1HB ASP 81 2HB ASP 81 6.711 -13.534 0.349 652 2HB ASP 81 1HB ASP 81 6.807 -12.341 -0.946 653 H SER 82 H SER 82 6.261 -10.073 -0.702 654 HA SER 82 HA SER 82 7.739 -7.682 -0.523 655 1HB SER 82 2HB SER 82 9.083 -9.780 -2.122 656 2HB SER 82 1HB SER 82 8.973 -8.205 -2.899 657 HG SER 82 HG SER 82 10.676 -7.854 -1.690 658 H ARG 83 H ARG 83 5.918 -9.895 -2.564 659 HA ARG 83 HA ARG 83 5.207 -7.808 -4.497 660 1HB ARG 83 2HB ARG 83 4.150 -10.625 -4.114 661 2HB ARG 83 1HB ARG 83 3.759 -9.570 -5.473 662 1HG ARG 83 2HG ARG 83 6.370 -9.397 -5.726 663 2HG ARG 83 1HG ARG 83 6.368 -10.897 -4.799 664 1HD ARG 83 2HD ARG 83 4.882 -11.943 -6.444 665 2HD ARG 83 1HD ARG 83 4.802 -10.435 -7.355 666 HE ARG 83 HE ARG 83 7.117 -10.764 -8.015 667 1HH1 ARG 83 2HH1 ARG 83 7.499 -12.459 -5.367 668 2HH1 ARG 83 1HH1 ARG 83 7.941 -13.975 -6.079 669 1HH2 ARG 83 1HH2 ARG 83 6.923 -13.078 -9.269 670 2HH2 ARG 83 2HH2 ARG 83 7.615 -14.325 -8.287 671 H TRP 84 H TRP 84 3.397 -6.563 -4.447 672 HA TRP 84 HA TRP 84 1.208 -7.262 -2.549 673 1HB TRP 84 2HB TRP 84 2.631 -4.594 -2.766 674 2HB TRP 84 1HB TRP 84 1.052 -4.778 -2.006 675 HD1 TRP 84 HD1 TRP 84 4.538 -6.417 -1.729 676 HE1 TRP 84 HE1 TRP 84 5.007 -6.915 0.750 677 HE3 TRP 84 HE3 TRP 84 0.147 -4.823 0.316 678 HZ2 TRP 84 HZ2 TRP 84 3.677 -6.681 3.280 679 HZ3 TRP 84 HZ3 TRP 84 -0.228 -4.969 2.760 680 HH2 TRP 84 HH2 TRP 84 1.529 -5.896 4.244 681 H GLU 85 H GLU 85 -0.577 -7.449 -3.846 682 HA GLU 85 HA GLU 85 -0.734 -5.733 -6.281 683 1HB GLU 85 2HB GLU 85 -1.694 -8.448 -5.569 684 2HB GLU 85 1HB GLU 85 -2.790 -7.487 -6.560 685 1HG GLU 85 2HG GLU 85 -0.731 -6.985 -8.032 686 2HG GLU 85 1HG GLU 85 0.046 -8.321 -7.180 687 H PHE 86 H PHE 86 -2.554 -4.432 -6.652 688 HA PHE 86 HA PHE 86 -4.476 -4.201 -4.373 689 1HB PHE 86 2HB PHE 86 -3.374 -1.940 -6.068 690 2HB PHE 86 1HB PHE 86 -4.537 -1.772 -4.755 691 HD1 PHE 86 HD1 PHE 86 -3.498 -3.555 -2.686 692 HD2 PHE 86 HD2 PHE 86 -1.378 -0.935 -5.347 693 HE1 PHE 86 HE1 PHE 86 -1.639 -3.401 -1.052 694 HE2 PHE 86 HE2 PHE 86 0.483 -0.785 -3.716 695 HZ PHE 86 HZ PHE 86 0.353 -2.018 -1.568 696 H GLU 87 H GLU 87 -6.340 -5.047 -5.187 697 HA GLU 87 HA GLU 87 -7.057 -4.501 -8.020 698 1HB GLU 87 2HB GLU 87 -7.747 -6.586 -6.018 699 2HB GLU 87 1HB GLU 87 -9.030 -6.129 -7.137 700 1HG GLU 87 2HG GLU 87 -8.060 -7.296 -8.800 701 2HG GLU 87 1HG GLU 87 -6.556 -6.400 -8.599 702 H ASN 88 H ASN 88 -9.716 -4.437 -8.083 703 HA ASN 88 HA ASN 88 -10.884 -2.771 -5.991 704 1HB ASN 88 2HB ASN 88 -11.324 -0.843 -7.597 705 2HB ASN 88 1HB ASN 88 -9.656 -0.999 -7.051 706 1HD2 ASN 88 2HD2 ASN 88 -8.458 -1.283 -10.336 707 2HD2 ASN 88 1HD2 ASN 88 -8.170 -0.838 -8.723 708 H GLU 89 H GLU 89 -13.051 -1.737 -7.219 709 HA GLU 89 HA GLU 89 -15.137 -2.287 -8.131 710 1HB GLU 89 2HB GLU 89 -13.486 -2.771 -10.143 711 2HB GLU 89 1HB GLU 89 -13.904 -4.451 -9.800 712 1HG GLU 89 2HG GLU 89 -16.260 -3.996 -10.102 713 2HG GLU 89 1HG GLU 89 -15.956 -2.263 -10.226 714 H ARG 90 H ARG 90 -15.913 -3.189 -6.179 715 HA ARG 90 HA ARG 90 -16.541 -6.031 -6.316 716 1HB ARG 90 2HB ARG 90 -14.264 -5.109 -4.733 717 2HB ARG 90 1HB ARG 90 -15.470 -5.910 -3.727 718 1HG ARG 90 2HG ARG 90 -15.476 -7.799 -5.420 719 2HG ARG 90 1HG ARG 90 -14.079 -7.029 -6.173 720 1HD ARG 90 2HD ARG 90 -13.175 -7.036 -3.667 721 2HD ARG 90 1HD ARG 90 -14.291 -8.395 -3.521 722 HE ARG 90 HE ARG 90 -11.842 -8.334 -5.160 723 1HH1 ARG 90 2HH1 ARG 90 -14.149 -9.493 -6.747 724 2HH1 ARG 90 1HH1 ARG 90 -14.022 -11.176 -6.360 725 1HH2 ARG 90 1HH2 ARG 90 -11.965 -10.663 -3.618 726 2HH2 ARG 90 2HH2 ARG 90 -12.787 -11.839 -4.590 727 H HIS 91 H HIS 91 -18.105 -6.618 -4.615 728 HA HIS 91 HA HIS 91 -19.798 -4.336 -3.905 729 1HB HIS 91 2HB HIS 91 -21.358 -6.057 -3.057 730 2HB HIS 91 1HB HIS 91 -20.821 -6.433 -4.693 731 HD1 HIS 91 HD1 HIS 91 -20.706 -7.666 -1.190 732 HD2 HIS 91 HD2 HIS 91 -18.926 -8.628 -4.834 733 HE1 HIS 91 HE1 HIS 91 -19.653 -9.950 -0.891 734 H ALA 92 HN ALA 92 -17.493 -6.420 -2.297 735 HA ALA 92 HA ALA 92 -18.337 -5.847 0.406 736 1HB ALA 92 1HB ALA 92 -15.660 -6.748 -0.703 737 2HB ALA 92 3HB ALA 92 -16.061 -6.690 1.013 738 3HB ALA 92 2HB ALA 92 -16.932 -7.786 -0.059 No H/Q in entry = 738 Start of MODEL 18 Raw file had 756 H/Q atoms Start of MODEL 18 1 1H ALA 1 3H ALA 1 -11.596 12.821 -7.934 2 2H ALA 1 2H ALA 1 -13.137 12.686 -8.637 3 3H ALA 1 1H ALA 1 -11.756 12.775 -9.621 4 HA ALA 1 HA ALA 1 -11.378 15.020 -9.111 5 1HB ALA 1 2HB ALA 1 -13.326 14.466 -10.652 6 2HB ALA 1 1HB ALA 1 -14.390 14.741 -9.273 7 3HB ALA 1 3HB ALA 1 -13.396 16.059 -9.897 8 H ARG 2 H ARG 2 -13.864 13.599 -7.007 9 HA ARG 2 HA ARG 2 -13.911 15.922 -5.233 10 1HB ARG 2 2HB ARG 2 -15.628 13.797 -5.694 11 2HB ARG 2 1HB ARG 2 -14.927 13.390 -4.130 12 1HG ARG 2 2HG ARG 2 -16.814 14.729 -3.606 13 2HG ARG 2 1HG ARG 2 -15.439 15.827 -3.463 14 1HD ARG 2 2HD ARG 2 -15.901 16.856 -5.548 15 2HD ARG 2 1HD ARG 2 -16.971 15.548 -6.049 16 HE ARG 2 HE ARG 2 -17.756 17.233 -3.721 17 1HH1 ARG 2 2HH1 ARG 2 -18.942 15.147 -5.984 18 2HH1 ARG 2 1HH1 ARG 2 -20.221 16.167 -6.554 19 1HH2 ARG 2 1HH2 ARG 2 -19.094 18.976 -4.864 20 2HH2 ARG 2 2HH2 ARG 2 -20.306 18.334 -5.920 21 HA PRO 3 HA PRO 3 -11.448 13.075 -2.394 22 1HB PRO 3 2HB PRO 3 -10.360 10.756 -3.363 23 2HB PRO 3 1HB PRO 3 -11.948 10.840 -2.582 24 1HG PRO 3 2HG PRO 3 -11.292 10.533 -5.468 25 2HG PRO 3 1HG PRO 3 -12.731 10.004 -4.580 26 1HD PRO 3 2HD PRO 3 -12.557 12.281 -6.234 27 2HD PRO 3 1HD PRO 3 -13.858 11.927 -5.082 28 H ALA 4 H ALA 4 -9.658 14.343 -2.280 29 HA ALA 4 HA ALA 4 -7.934 14.948 -4.490 30 1HB ALA 4 2HB ALA 4 -7.961 15.477 -1.566 31 2HB ALA 4 1HB ALA 4 -6.388 15.565 -2.360 32 3HB ALA 4 3HB ALA 4 -7.712 16.593 -2.910 33 H PHE 5 H PHE 5 -7.963 12.331 -2.169 34 HA PHE 5 HA PHE 5 -5.185 11.578 -2.465 35 1HB PHE 5 2HB PHE 5 -6.614 10.823 -0.561 36 2HB PHE 5 1HB PHE 5 -7.541 9.828 -1.685 37 HD1 PHE 5 HD2 PHE 5 -4.136 10.383 -0.279 38 HD2 PHE 5 HD1 PHE 5 -6.726 7.719 -2.435 39 HE1 PHE 5 HE2 PHE 5 -2.430 8.591 -0.114 40 HE2 PHE 5 HE1 PHE 5 -5.017 5.929 -2.275 41 HZ PHE 5 HZ PHE 5 -2.869 6.366 -1.114 42 H VAL 6 H VAL 6 -8.206 10.294 -3.928 43 HA VAL 6 HA VAL 6 -6.996 8.355 -5.605 44 HB VAL 6 HB VAL 6 -9.462 10.027 -6.197 45 1HG1 VAL 6 2HG1 VAL 6 -8.392 8.647 -8.084 46 2HG1 VAL 6 1HG1 VAL 6 -8.834 7.224 -7.140 47 3HG1 VAL 6 3HG1 VAL 6 -10.088 8.316 -7.730 48 1HG2 VAL 6 3HG2 VAL 6 -8.915 7.713 -4.399 49 2HG2 VAL 6 2HG2 VAL 6 -10.098 9.009 -4.232 50 3HG2 VAL 6 1HG2 VAL 6 -10.414 7.664 -5.326 51 H ASN 7 H ASN 7 -7.650 11.805 -6.191 52 HA ASN 7 HA ASN 7 -6.628 11.840 -8.884 53 1HB ASN 7 2HB ASN 7 -7.000 13.991 -6.787 54 2HB ASN 7 1HB ASN 7 -6.386 14.341 -8.402 55 1HD2 ASN 7 2HD2 ASN 7 -9.600 14.322 -9.830 56 2HD2 ASN 7 1HD2 ASN 7 -7.969 14.774 -9.955 57 H LYS 8 H LYS 8 -5.144 12.057 -5.723 58 HA LYS 8 HA LYS 8 -2.548 12.982 -6.655 59 1HB LYS 8 2HB LYS 8 -3.320 13.407 -4.360 60 2HB LYS 8 1HB LYS 8 -3.415 11.677 -4.054 61 1HG LYS 8 2HG LYS 8 -0.782 12.296 -5.046 62 2HG LYS 8 1HG LYS 8 -1.163 13.394 -3.724 63 1HD LYS 8 2HD LYS 8 -1.714 11.514 -2.259 64 2HD LYS 8 1HD LYS 8 -1.456 10.375 -3.582 65 1HE LYS 8 2HE LYS 8 0.641 12.199 -2.367 66 2HE LYS 8 1HE LYS 8 0.532 10.453 -2.152 67 1HZ LYS 8 2HZ LYS 8 0.627 10.390 -4.697 68 2HZ LYS 8 1HZ LYS 8 1.233 11.973 -4.578 69 3HZ LYS 8 3HZ LYS 8 2.067 10.691 -3.845 70 H LEU 9 H LEU 9 -4.137 9.899 -6.536 71 HA LEU 9 HA LEU 9 -1.671 8.325 -6.445 72 1HB LEU 9 2HB LEU 9 -3.898 7.547 -5.541 73 2HB LEU 9 1HB LEU 9 -4.456 7.412 -7.208 74 HG LEU 9 HG LEU 9 -2.552 5.869 -7.676 75 1HD1 LEU 9 3HD1 LEU 9 -2.103 6.277 -4.715 76 2HD1 LEU 9 2HD1 LEU 9 -1.482 4.866 -5.572 77 3HD1 LEU 9 1HD1 LEU 9 -0.943 6.483 -6.027 78 1HD2 LEU 9 3HD2 LEU 9 -4.937 5.226 -6.711 79 2HD2 LEU 9 2HD2 LEU 9 -3.684 3.997 -6.875 80 3HD2 LEU 9 1HD2 LEU 9 -3.995 4.734 -5.305 81 H TRP 10 H TRP 10 -3.561 9.860 -8.925 82 HA TRP 10 HA TRP 10 -2.664 8.088 -11.074 83 1HB TRP 10 2HB TRP 10 -3.857 10.848 -11.389 84 2HB TRP 10 1HB TRP 10 -3.864 9.530 -12.556 85 HD1 TRP 10 HD1 TRP 10 -6.295 11.159 -10.746 86 HE1 TRP 10 HE1 TRP 10 -8.170 9.633 -9.851 87 HE3 TRP 10 HE3 TRP 10 -3.988 6.615 -11.111 88 HZ2 TRP 10 HZ2 TRP 10 -8.632 6.855 -9.359 89 HZ3 TRP 10 HZ3 TRP 10 -5.168 4.549 -10.420 90 HH2 TRP 10 HH2 TRP 10 -7.485 4.663 -9.545 91 H SER 11 H SER 11 -0.768 10.008 -9.326 92 HA SER 11 HA SER 11 0.707 11.047 -11.709 93 1HB SER 11 2HB SER 11 1.111 12.138 -8.937 94 2HB SER 11 1HB SER 11 1.397 12.920 -10.490 95 HG SER 11 HG SER 11 -0.926 12.659 -9.010 96 H MET 12 H MET 12 0.936 9.377 -8.600 97 HA MET 12 HA MET 12 3.832 8.952 -8.959 98 1HB MET 12 2HB MET 12 3.740 7.859 -6.764 99 2HB MET 12 1HB MET 12 2.944 9.429 -6.699 100 1HG MET 12 2HG MET 12 1.257 8.247 -5.707 101 2HG MET 12 1HG MET 12 0.829 7.847 -7.368 102 1HE MET 12 2HE MET 12 2.577 7.226 -4.319 103 2HE MET 12 1HE MET 12 2.422 5.503 -3.986 104 3HE MET 12 3HE MET 12 3.836 6.118 -4.855 105 H VAL 13 H VAL 13 0.804 7.085 -9.185 106 HA VAL 13 HA VAL 13 2.138 4.530 -9.446 107 HB VAL 13 HB VAL 13 -0.618 5.302 -10.455 108 1HG1 VAL 13 3HG1 VAL 13 0.613 2.639 -9.664 109 2HG1 VAL 13 2HG1 VAL 13 -1.067 2.885 -10.141 110 3HG1 VAL 13 1HG1 VAL 13 0.226 3.142 -11.308 111 1HG2 VAL 13 1HG2 VAL 13 0.304 4.247 -7.765 112 2HG2 VAL 13 3HG2 VAL 13 -0.378 5.842 -8.075 113 3HG2 VAL 13 2HG2 VAL 13 -1.379 4.401 -8.262 114 H ASN 14 H ASN 14 1.965 7.179 -11.592 115 HA ASN 14 HA ASN 14 1.671 5.944 -14.113 116 1HB ASN 14 2HB ASN 14 3.355 8.309 -13.259 117 2HB ASN 14 1HB ASN 14 3.173 7.820 -14.944 118 1HD2 ASN 14 2HD2 ASN 14 0.128 9.543 -15.229 119 2HD2 ASN 14 1HD2 ASN 14 1.546 8.978 -15.971 120 H ASP 15 H ASP 15 4.976 7.073 -13.491 121 HA ASP 15 HA ASP 15 6.443 4.815 -12.954 122 1HB ASP 15 2HB ASP 15 7.078 4.016 -15.331 123 2HB ASP 15 1HB ASP 15 5.559 3.436 -14.656 124 H LYS 16 H LYS 16 6.156 7.715 -14.875 125 HA LYS 16 HA LYS 16 8.774 7.962 -15.896 126 1HB LYS 16 2HB LYS 16 6.675 9.921 -15.035 127 2HB LYS 16 1HB LYS 16 8.286 10.521 -15.430 128 1HG LYS 16 2HG LYS 16 7.184 8.575 -17.365 129 2HG LYS 16 1HG LYS 16 6.307 10.100 -17.276 130 1HD LYS 16 2HD LYS 16 9.145 10.638 -17.256 131 2HD LYS 16 1HD LYS 16 8.765 9.581 -18.613 132 1HE LYS 16 2HE LYS 16 6.733 11.596 -18.481 133 2HE LYS 16 1HE LYS 16 8.301 12.394 -18.383 134 1HZ LYS 16 1HZ LYS 16 7.764 10.295 -20.390 135 2HZ LYS 16 3HZ LYS 16 7.364 11.917 -20.681 136 3HZ LYS 16 2HZ LYS 16 8.980 11.480 -20.394 137 H SER 17 H SER 17 7.568 8.807 -12.639 138 HA SER 17 HA SER 17 10.403 9.316 -11.836 139 1HB SER 17 2HB SER 17 8.226 10.928 -11.442 140 2HB SER 17 1HB SER 17 8.260 10.029 -9.929 141 HG SER 17 HG SER 17 9.588 11.871 -9.819 142 H ASN 18 H ASN 18 9.148 6.667 -12.114 143 HA ASN 18 HA ASN 18 10.198 5.318 -9.909 144 1HB ASN 18 2HB ASN 18 7.917 4.620 -8.822 145 2HB ASN 18 1HB ASN 18 8.660 6.140 -8.337 146 1HD2 ASN 18 2HD2 ASN 18 5.675 7.821 -9.139 147 2HD2 ASN 18 1HD2 ASN 18 6.925 7.563 -8.022 148 H GLU 19 H GLU 19 10.097 4.851 -12.630 149 HA GLU 19 HA GLU 19 8.047 2.956 -13.386 150 1HB GLU 19 2HB GLU 19 9.255 4.152 -15.122 151 2HB GLU 19 1HB GLU 19 10.797 3.538 -14.544 152 1HG GLU 19 2HG GLU 19 10.099 2.272 -16.517 153 2HG GLU 19 1HG GLU 19 10.035 1.224 -15.101 154 H LYS 20 H LYS 20 11.113 2.690 -11.693 155 HA LYS 20 HA LYS 20 11.028 -0.272 -11.898 156 1HB LYS 20 2HB LYS 20 13.233 -0.147 -10.720 157 2HB LYS 20 1HB LYS 20 13.209 0.734 -12.248 158 1HG LYS 20 2HG LYS 20 13.526 2.736 -11.232 159 2HG LYS 20 1HG LYS 20 12.359 2.374 -9.959 160 1HD LYS 20 2HD LYS 20 14.539 2.591 -8.930 161 2HD LYS 20 1HD LYS 20 14.086 0.887 -8.893 162 1HE LYS 20 2HE LYS 20 15.493 1.589 -11.359 163 2HE LYS 20 1HE LYS 20 16.459 1.925 -9.922 164 1HZ LYS 20 1HZ LYS 20 15.934 -0.348 -9.151 165 2HZ LYS 20 3HZ LYS 20 15.167 -0.651 -10.633 166 3HZ LYS 20 2HZ LYS 20 16.833 -0.321 -10.593 167 H PHE 21 H PHE 21 9.293 1.696 -10.097 168 HA PHE 21 HA PHE 21 9.735 0.134 -7.581 169 1HB PHE 21 2HB PHE 21 8.836 3.006 -7.941 170 2HB PHE 21 1HB PHE 21 8.719 2.132 -6.415 171 HD1 PHE 21 HD1 PHE 21 10.937 0.915 -5.640 172 HD2 PHE 21 HD2 PHE 21 10.781 4.204 -8.391 173 HE1 PHE 21 HE1 PHE 21 13.312 1.434 -5.153 174 HE2 PHE 21 HE2 PHE 21 13.155 4.726 -7.908 175 HZ PHE 21 HZ PHE 21 14.421 3.341 -6.287 176 H ILE 22 H ILE 22 7.152 2.254 -8.844 177 HA ILE 22 HA ILE 22 5.202 0.091 -8.191 178 HB ILE 22 HB ILE 22 4.877 2.322 -7.106 179 1HG1 ILE 22 2HG1 ILE 22 2.664 1.904 -9.108 180 2HG1 ILE 22 1HG1 ILE 22 2.998 0.692 -7.870 181 1HG2 ILE 22 2HG2 ILE 22 5.782 3.689 -8.991 182 2HG2 ILE 22 1HG2 ILE 22 4.351 3.286 -9.937 183 3HG2 ILE 22 3HG2 ILE 22 4.193 4.240 -8.462 184 1HD1 ILE 22 2HD1 ILE 22 2.673 3.594 -7.129 185 2HD1 ILE 22 1HD1 ILE 22 1.264 2.551 -7.324 186 3HD1 ILE 22 3HD1 ILE 22 2.483 2.168 -6.110 187 H HIS 23 H HIS 23 3.685 -0.564 -9.807 188 HA HIS 23 HA HIS 23 3.619 0.664 -12.429 189 1HB HIS 23 2HB HIS 23 5.873 -0.601 -12.294 190 2HB HIS 23 1HB HIS 23 4.895 -2.065 -12.373 191 HD1 HIS 23 HD1 HIS 23 5.132 -2.863 -14.728 192 HD2 HIS 23 HD2 HIS 23 4.425 1.241 -14.553 193 HE1 HIS 23 HE1 HIS 23 4.858 -2.083 -17.120 194 H TRP 24 H TRP 24 1.997 -0.268 -13.750 195 HA TRP 24 HA TRP 24 -0.042 -1.751 -12.309 196 1HB TRP 24 2HB TRP 24 0.204 -0.904 -15.210 197 2HB TRP 24 1HB TRP 24 -1.222 -1.702 -14.540 198 HD1 TRP 24 HD1 TRP 24 0.868 1.507 -14.112 199 HE1 TRP 24 HE1 TRP 24 -0.637 3.331 -13.076 200 HE3 TRP 24 HE3 TRP 24 -3.366 -1.218 -13.251 201 HZ2 TRP 24 HZ2 TRP 24 -3.282 3.597 -12.027 202 HZ3 TRP 24 HZ3 TRP 24 -5.358 -0.155 -12.231 203 HH2 TRP 24 HH2 TRP 24 -5.322 2.247 -11.620 204 H SER 25 H SER 25 -0.944 -3.839 -13.201 205 HA SER 25 HA SER 25 1.246 -5.735 -13.577 206 1HB SER 25 2HB SER 25 -0.880 -6.107 -12.189 207 2HB SER 25 1HB SER 25 -1.705 -6.366 -13.723 208 HG SER 25 HG SER 25 -0.675 -8.209 -13.968 209 H THR 26 H THR 26 2.138 -5.706 -15.598 210 HA THR 26 HA THR 26 2.326 -5.965 -17.907 211 HB THR 26 HB THR 26 -0.326 -7.393 -17.521 212 HG1 THR 26 HG1 THR 26 2.374 -8.237 -17.479 213 1HG2 THR 26 1HG2 THR 26 0.859 -6.671 -19.917 214 2HG2 THR 26 3HG2 THR 26 1.492 -8.293 -19.641 215 3HG2 THR 26 2HG2 THR 26 -0.249 -8.024 -19.698 216 H SER 27 H SER 27 -1.212 -5.816 -18.197 217 HA SER 27 HA SER 27 -1.165 -2.962 -18.864 218 1HB SER 27 2HB SER 27 -2.226 -3.581 -21.171 219 2HB SER 27 1HB SER 27 -0.473 -3.630 -21.003 220 HG SER 27 HG SER 27 -2.235 -5.837 -20.670 221 H GLY 28 H GLY 28 -2.545 -4.476 -16.887 222 1HA GLY 28 2HA GLY 28 -5.345 -4.567 -17.914 223 2HA GLY 28 1HA GLY 28 -4.788 -5.343 -16.430 224 H GLU 29 H GLU 29 -5.650 -4.319 -14.695 225 HA GLU 29 HA GLU 29 -5.356 -1.386 -14.476 226 1HB GLU 29 2HB GLU 29 -7.625 -1.881 -15.512 227 2HB GLU 29 1HB GLU 29 -8.046 -2.694 -14.005 228 1HG GLU 29 2HG GLU 29 -8.829 -0.555 -13.561 229 2HG GLU 29 1HG GLU 29 -7.190 -0.435 -12.922 230 H SER 30 H SER 30 -3.868 -3.166 -13.081 231 HA SER 30 HA SER 30 -5.001 -2.948 -10.330 232 1HB SER 30 2HB SER 30 -3.742 -5.205 -9.941 233 2HB SER 30 1HB SER 30 -5.322 -5.243 -10.715 234 HG SER 30 HG SER 30 -2.785 -5.691 -11.766 235 H ILE 31 H ILE 31 -3.385 -2.642 -8.697 236 HA ILE 31 HA ILE 31 -0.783 -1.695 -9.800 237 HB ILE 31 HB ILE 31 -1.939 -1.259 -7.026 238 1HG1 ILE 31 2HG1 ILE 31 -1.881 0.631 -9.403 239 2HG1 ILE 31 1HG1 ILE 31 -3.312 -0.258 -8.882 240 1HG2 ILE 31 2HG2 ILE 31 0.333 0.076 -8.539 241 2HG2 ILE 31 1HG2 ILE 31 -0.227 0.527 -6.929 242 3HG2 ILE 31 3HG2 ILE 31 0.520 -1.048 -7.194 243 1HD1 ILE 31 3HD1 ILE 31 -2.636 0.835 -6.526 244 2HD1 ILE 31 2HD1 ILE 31 -1.943 2.054 -7.594 245 3HD1 ILE 31 1HD1 ILE 31 -3.663 1.677 -7.688 246 H VAL 32 H VAL 32 1.052 -2.834 -9.408 247 HA VAL 32 HA VAL 32 0.948 -4.951 -7.295 248 HB VAL 32 HB VAL 32 2.389 -5.142 -9.956 249 1HG1 VAL 32 3HG1 VAL 32 3.075 -6.450 -7.765 250 2HG1 VAL 32 2HG1 VAL 32 1.675 -7.442 -8.171 251 3HG1 VAL 32 1HG1 VAL 32 3.008 -7.289 -9.315 252 1HG2 VAL 32 3HG2 VAL 32 -0.334 -6.078 -9.049 253 2HG2 VAL 32 2HG2 VAL 32 0.102 -5.243 -10.540 254 3HG2 VAL 32 1HG2 VAL 32 0.541 -6.936 -10.318 255 H VAL 33 H VAL 33 2.493 -4.671 -5.784 256 HA VAL 33 HA VAL 33 4.855 -2.962 -6.457 257 HB VAL 33 HB VAL 33 3.809 -3.800 -3.733 258 1HG1 VAL 33 2HG1 VAL 33 5.919 -1.818 -4.632 259 2HG1 VAL 33 1HG1 VAL 33 5.284 -1.896 -2.988 260 3HG1 VAL 33 3HG1 VAL 33 6.169 -3.267 -3.658 261 1HG2 VAL 33 2HG2 VAL 33 3.379 -1.314 -5.404 262 2HG2 VAL 33 1HG2 VAL 33 2.156 -2.368 -4.691 263 3HG2 VAL 33 3HG2 VAL 33 3.138 -1.331 -3.657 264 HA PRO 34 HA PRO 34 6.636 -7.117 -6.252 265 1HB PRO 34 2HB PRO 34 8.854 -6.602 -7.778 266 2HB PRO 34 1HB PRO 34 7.283 -7.058 -8.458 267 1HG PRO 34 2HG PRO 34 8.608 -4.397 -8.420 268 2HG PRO 34 1HG PRO 34 7.413 -5.041 -9.557 269 1HD PRO 34 2HD PRO 34 6.895 -3.232 -7.443 270 2HD PRO 34 1HD PRO 34 5.683 -4.116 -8.390 271 H ASN 35 H ASN 35 8.020 -3.981 -5.527 272 HA ASN 35 HA ASN 35 9.667 -5.241 -3.406 273 1HB ASN 35 2HB ASN 35 11.604 -3.744 -4.063 274 2HB ASN 35 1HB ASN 35 11.271 -5.057 -5.191 275 1HD2 ASN 35 2HD2 ASN 35 11.498 -2.352 -7.558 276 2HD2 ASN 35 1HD2 ASN 35 12.421 -3.555 -6.794 277 H ARG 36 H ARG 36 7.878 -4.219 -2.163 278 HA ARG 36 HA ARG 36 7.612 -1.328 -2.146 279 1HB ARG 36 2HB ARG 36 5.850 -3.041 -1.408 280 2HB ARG 36 1HB ARG 36 6.779 -3.186 0.084 281 1HG ARG 36 2HG ARG 36 6.507 -0.829 0.562 282 2HG ARG 36 1HG ARG 36 5.761 -0.551 -1.011 283 1HD ARG 36 2HD ARG 36 4.238 -2.607 0.163 284 2HD ARG 36 1HD ARG 36 4.533 -1.448 1.459 285 HE ARG 36 HE ARG 36 3.694 0.284 -0.319 286 1HH1 ARG 36 1HH2 ARG 36 3.050 -2.773 -1.420 287 2HH1 ARG 36 2HH2 ARG 36 1.328 -2.609 -1.461 288 1HH2 ARG 36 2HH1 ARG 36 1.304 0.419 0.226 289 2HH2 ARG 36 1HH1 ARG 36 0.338 -0.803 -0.532 290 H GLU 37 H GLU 37 9.759 -3.587 -0.605 291 HA GLU 37 HA GLU 37 10.445 -2.090 1.723 292 1HB GLU 37 2HB GLU 37 12.573 -3.380 1.663 293 2HB GLU 37 1HB GLU 37 11.161 -4.410 1.434 294 1HG GLU 37 2HG GLU 37 11.589 -4.719 -0.842 295 2HG GLU 37 1HG GLU 37 12.552 -3.249 -0.965 296 H ARG 38 H ARG 38 11.288 -1.624 -1.644 297 HA ARG 38 HA ARG 38 13.326 0.403 -0.865 298 1HB ARG 38 2HB ARG 38 12.753 -1.050 -3.449 299 2HB ARG 38 1HB ARG 38 13.764 0.392 -3.408 300 1HG ARG 38 2HG ARG 38 14.617 -1.350 -1.292 301 2HG ARG 38 1HG ARG 38 14.503 -2.299 -2.771 302 1HD ARG 38 2HD ARG 38 16.536 -1.463 -3.297 303 2HD ARG 38 1HD ARG 38 15.710 0.061 -3.619 304 HE ARG 38 HE ARG 38 16.193 0.026 -0.855 305 1HH1 ARG 38 2HH1 ARG 38 18.695 -1.424 -1.614 306 2HH1 ARG 38 1HH1 ARG 38 19.798 -0.122 -1.917 307 1HH2 ARG 38 1HH2 ARG 38 17.302 2.274 -2.183 308 2HH2 ARG 38 2HH2 ARG 38 19.007 1.975 -2.240 309 H PHE 39 H PHE 39 10.284 -0.017 -2.625 310 HA PHE 39 HA PHE 39 10.037 2.547 -3.796 311 1HB PHE 39 2HB PHE 39 8.394 0.993 -4.442 312 2HB PHE 39 1HB PHE 39 8.074 0.495 -2.789 313 HD1 PHE 39 HD2 PHE 39 6.780 2.014 -1.260 314 HD2 PHE 39 HD1 PHE 39 7.160 2.802 -5.463 315 HE1 PHE 39 HE2 PHE 39 4.852 3.568 -1.142 316 HE2 PHE 39 HE1 PHE 39 5.236 4.357 -5.348 317 HZ PHE 39 HZ PHE 39 4.081 4.740 -3.186 318 H VAL 40 H VAL 40 9.063 1.478 -0.531 319 HA VAL 40 HA VAL 40 7.981 3.948 0.351 320 HB VAL 40 HB VAL 40 9.443 1.856 1.996 321 1HG1 VAL 40 3HG1 VAL 40 8.248 4.384 2.700 322 2HG1 VAL 40 2HG1 VAL 40 7.303 3.080 3.420 323 3HG1 VAL 40 1HG1 VAL 40 9.030 3.205 3.751 324 1HG2 VAL 40 1HG2 VAL 40 7.369 1.259 0.465 325 2HG2 VAL 40 3HG2 VAL 40 7.451 0.653 2.118 326 3HG2 VAL 40 2HG2 VAL 40 6.459 2.061 1.742 327 H GLN 41 H GLN 41 11.264 2.657 0.951 328 HA GLN 41 HA GLN 41 12.252 5.065 2.142 329 1HB GLN 41 2HB GLN 41 13.187 2.552 1.999 330 2HB GLN 41 1HB GLN 41 14.167 3.289 0.730 331 1HG GLN 41 2HG GLN 41 15.480 3.698 2.610 332 2HG GLN 41 1HG GLN 41 14.538 5.186 2.518 333 1HE2 GLN 41 2HE2 GLN 41 13.379 4.675 5.795 334 2HE2 GLN 41 1HE2 GLN 41 13.986 5.749 4.631 335 H GLU 42 H GLU 42 11.542 4.479 -1.159 336 HA GLU 42 HA GLU 42 13.244 6.827 -1.867 337 1HB GLU 42 2HB GLU 42 12.934 4.288 -3.491 338 2HB GLU 42 1HB GLU 42 13.738 5.751 -4.058 339 1HG GLU 42 2HG GLU 42 14.921 5.269 -1.574 340 2HG GLU 42 1HG GLU 42 14.738 3.660 -2.272 341 H VAL 43 H VAL 43 10.197 6.233 -1.439 342 HA VAL 43 HA VAL 43 9.355 7.898 -3.720 343 HB VAL 43 HB VAL 43 7.968 5.245 -3.255 344 1HG1 VAL 43 1HG1 VAL 43 7.542 7.624 -5.001 345 2HG1 VAL 43 3HG1 VAL 43 7.206 6.037 -5.694 346 3HG1 VAL 43 2HG1 VAL 43 6.358 6.562 -4.239 347 1HG2 VAL 43 3HG2 VAL 43 9.933 6.085 -5.411 348 2HG2 VAL 43 2HG2 VAL 43 10.166 4.801 -4.224 349 3HG2 VAL 43 1HG2 VAL 43 8.943 4.629 -5.481 350 H LEU 44 H LEU 44 8.388 6.190 -0.737 351 HA LEU 44 HA LEU 44 5.854 7.425 -0.432 352 1HB LEU 44 2HB LEU 44 6.809 5.493 0.916 353 2HB LEU 44 1HB LEU 44 7.680 6.695 1.864 354 HG LEU 44 HG LEU 44 5.520 7.814 2.382 355 1HD1 LEU 44 1HD1 LEU 44 4.495 5.555 0.673 356 2HD1 LEU 44 3HD1 LEU 44 3.474 6.250 1.933 357 3HD1 LEU 44 2HD1 LEU 44 4.067 7.265 0.619 358 1HD2 LEU 44 1HD2 LEU 44 6.576 5.928 3.776 359 2HD2 LEU 44 3HD2 LEU 44 4.868 6.254 4.059 360 3HD2 LEU 44 2HD2 LEU 44 5.350 4.875 3.070 361 HA PRO 45 HA PRO 45 7.892 10.877 2.093 362 1HB PRO 45 2HB PRO 45 10.576 11.348 1.811 363 2HB PRO 45 1HB PRO 45 9.885 10.352 3.105 364 1HG PRO 45 2HG PRO 45 11.356 9.500 0.663 365 2HG PRO 45 1HG PRO 45 11.207 8.686 2.230 366 1HD PRO 45 2HD PRO 45 9.782 8.023 -0.115 367 2HD PRO 45 1HD PRO 45 9.420 7.464 1.526 368 H LYS 46 H LYS 46 8.542 10.066 -1.164 369 HA LYS 46 HA LYS 46 9.330 12.754 -2.019 370 1HB LYS 46 2HB LYS 46 9.607 10.233 -3.110 371 2HB LYS 46 1HB LYS 46 8.309 10.916 -4.081 372 1HG LYS 46 2HG LYS 46 9.853 12.053 -5.262 373 2HG LYS 46 1HG LYS 46 10.217 12.985 -3.812 374 1HD LYS 46 2HD LYS 46 11.800 11.143 -3.126 375 2HD LYS 46 1HD LYS 46 11.539 10.411 -4.709 376 1HE LYS 46 2HE LYS 46 12.098 12.991 -5.420 377 2HE LYS 46 1HE LYS 46 13.100 12.812 -3.979 378 1HZ LYS 46 1HZ LYS 46 13.074 10.795 -6.142 379 2HZ LYS 46 3HZ LYS 46 14.121 12.129 -6.170 380 3HZ LYS 46 2HZ LYS 46 14.223 10.998 -4.905 381 H TYR 47 H TYR 47 6.470 11.851 -0.798 382 HA TYR 47 HA TYR 47 5.007 13.756 -2.499 383 1HB TYR 47 2HB TYR 47 4.209 10.856 -2.167 384 2HB TYR 47 1HB TYR 47 3.089 12.107 -2.705 385 HD1 TYR 47 HD1 TYR 47 3.359 13.203 -4.871 386 HD2 TYR 47 HD2 TYR 47 6.084 10.137 -3.584 387 HE1 TYR 47 HE1 TYR 47 4.217 12.992 -7.187 388 HE2 TYR 47 HE2 TYR 47 6.935 9.924 -5.906 389 HH TYR 47 HH TYR 47 6.879 11.898 -8.069 390 H PHE 48 H PHE 48 4.780 11.480 0.262 391 HA PHE 48 HA PHE 48 2.854 13.362 1.546 392 1HB PHE 48 2HB PHE 48 3.537 10.461 2.015 393 2HB PHE 48 1HB PHE 48 2.659 11.401 3.217 394 HD1 PHE 48 HD1 PHE 48 0.886 13.108 1.650 395 HD2 PHE 48 HD2 PHE 48 2.026 9.018 0.985 396 HE1 PHE 48 HE1 PHE 48 -1.226 12.719 0.407 397 HE2 PHE 48 HE2 PHE 48 -0.084 8.633 -0.257 398 HZ PHE 48 HZ PHE 48 -1.710 10.483 -0.545 399 H LYS 49 H LYS 49 5.991 11.787 2.055 400 HA LYS 49 HA LYS 49 7.728 12.300 3.550 401 1HB LYS 49 2HB LYS 49 6.188 14.839 4.178 402 2HB LYS 49 1HB LYS 49 7.910 14.547 4.407 403 1HG LYS 49 2HG LYS 49 8.383 14.708 2.136 404 2HG LYS 49 1HG LYS 49 6.746 14.274 1.655 405 1HD LYS 49 2HD LYS 49 6.218 16.453 1.484 406 2HD LYS 49 1HD LYS 49 6.559 16.669 3.199 407 1HE LYS 49 2HE LYS 49 8.850 16.577 1.264 408 2HE LYS 49 1HE LYS 49 7.899 18.057 1.395 409 1HZ LYS 49 3HZ LYS 49 9.106 16.655 3.715 410 2HZ LYS 49 2HZ LYS 49 9.840 17.957 2.909 411 3HZ LYS 49 1HZ LYS 49 8.361 18.179 3.713 412 H HIS 50 H HIS 50 7.678 10.963 5.291 413 HA HIS 50 HA HIS 50 7.096 10.071 7.376 414 1HB HIS 50 2HB HIS 50 6.314 12.968 7.668 415 2HB HIS 50 1HB HIS 50 6.006 11.819 8.968 416 HD1 HIS 50 HD1 HIS 50 8.890 13.126 6.863 417 HD2 HIS 50 HD2 HIS 50 8.241 11.226 10.518 418 HE1 HIS 50 HE1 HIS 50 11.131 13.052 8.040 419 H SER 51 H SER 51 5.444 9.004 5.720 420 HA SER 51 HA SER 51 2.693 9.502 6.791 421 1HB SER 51 2HB SER 51 2.170 8.302 4.429 422 2HB SER 51 1HB SER 51 2.290 10.048 4.616 423 HG SER 51 HG SER 51 4.470 8.340 3.988 424 H ASN 52 H ASN 52 5.210 7.184 6.386 425 HA ASN 52 HA ASN 52 5.357 4.941 6.994 426 1HB ASN 52 2HB ASN 52 2.885 5.821 8.443 427 2HB ASN 52 1HB ASN 52 3.250 4.102 8.361 428 1HD2 ASN 52 2HD2 ASN 52 6.455 4.624 10.111 429 2HD2 ASN 52 1HD2 ASN 52 5.915 3.859 8.696 430 H PHE 53 H PHE 53 5.155 3.290 5.627 431 HA PHE 53 HA PHE 53 3.457 3.239 3.387 432 1HB PHE 53 2HB PHE 53 4.053 0.842 3.204 433 2HB PHE 53 1HB PHE 53 5.464 1.839 3.547 434 HD1 PHE 53 HD2 PHE 53 3.072 -0.606 4.913 435 HD2 PHE 53 HD1 PHE 53 6.586 1.726 5.717 436 HE1 PHE 53 HE2 PHE 53 3.502 -1.960 6.946 437 HE2 PHE 53 HE1 PHE 53 7.018 0.372 7.751 438 HZ PHE 53 HZ PHE 53 5.476 -1.471 8.365 439 H ALA 54 H ALA 54 2.912 1.993 6.629 440 HA ALA 54 HA ALA 54 0.637 0.368 6.137 441 1HB ALA 54 1HB ALA 54 2.009 0.819 8.343 442 2HB ALA 54 3HB ALA 54 0.787 2.063 8.609 443 3HB ALA 54 2HB ALA 54 0.305 0.375 8.442 444 H SER 55 H SER 55 0.822 3.863 6.896 445 HA SER 55 HA SER 55 -1.987 4.356 6.875 446 1HB SER 55 2HB SER 55 -1.432 6.603 6.985 447 2HB SER 55 1HB SER 55 0.098 5.898 7.493 448 HG SER 55 HG SER 55 -0.555 7.284 5.214 449 H PHE 56 H PHE 56 0.426 4.401 4.270 450 HA PHE 56 HA PHE 56 -1.239 5.356 2.173 451 1HB PHE 56 2HB PHE 56 1.201 5.082 1.956 452 2HB PHE 56 1HB PHE 56 1.022 3.333 2.051 453 HD1 PHE 56 HD2 PHE 56 -0.959 5.923 0.186 454 HD2 PHE 56 HD1 PHE 56 1.555 2.447 -0.037 455 HE1 PHE 56 HE2 PHE 56 -1.316 5.824 -2.266 456 HE2 PHE 56 HE1 PHE 56 1.199 2.347 -2.490 457 HZ PHE 56 HZ PHE 56 -0.235 4.036 -3.604 458 H VAL 57 H VAL 57 -0.741 2.046 3.362 459 HA VAL 57 HA VAL 57 -2.396 0.747 1.420 460 HB VAL 57 HB VAL 57 -1.806 -0.135 4.264 461 1HG1 VAL 57 3HG1 VAL 57 -3.631 -1.284 2.809 462 2HG1 VAL 57 2HG1 VAL 57 -2.276 -1.888 1.856 463 3HG1 VAL 57 1HG1 VAL 57 -2.408 -2.305 3.564 464 1HG2 VAL 57 2HG2 VAL 57 0.150 0.464 2.572 465 2HG2 VAL 57 1HG2 VAL 57 0.230 -1.006 3.541 466 3HG2 VAL 57 3HG2 VAL 57 -0.287 -1.086 1.857 467 H ARG 58 H ARG 58 -3.072 2.438 4.421 468 HA ARG 58 HA ARG 58 -5.759 1.432 4.757 469 1HB ARG 58 2HB ARG 58 -4.043 2.952 6.287 470 2HB ARG 58 1HB ARG 58 -5.230 4.151 5.773 471 1HG ARG 58 2HG ARG 58 -6.329 3.341 7.630 472 2HG ARG 58 1HG ARG 58 -6.924 2.182 6.439 473 1HD ARG 58 2HD ARG 58 -6.160 0.842 8.241 474 2HD ARG 58 1HD ARG 58 -4.862 0.766 7.047 475 HE ARG 58 HE ARG 58 -4.034 2.851 8.571 476 1HH1 ARG 58 2HH1 ARG 58 -5.673 2.037 10.874 477 2HH1 ARG 58 1HH1 ARG 58 -4.655 0.905 11.701 478 1HH2 ARG 58 1HH2 ARG 58 -2.556 0.405 8.987 479 2HH2 ARG 58 2HH2 ARG 58 -2.889 -0.015 10.634 480 H GLN 59 H GLN 59 -4.336 4.145 2.989 481 HA GLN 59 HA GLN 59 -6.812 5.491 2.392 482 1HB GLN 59 2HB GLN 59 -4.162 5.459 0.911 483 2HB GLN 59 1HB GLN 59 -5.507 6.520 0.508 484 1HG GLN 59 2HG GLN 59 -4.053 6.450 3.168 485 2HG GLN 59 1HG GLN 59 -3.870 7.687 1.925 486 1HE2 GLN 59 2HE2 GLN 59 -7.393 8.767 2.477 487 2HE2 GLN 59 1HE2 GLN 59 -6.492 8.202 1.154 488 H LEU 60 H LEU 60 -4.871 3.101 0.580 489 HA LEU 60 HA LEU 60 -6.599 2.982 -1.704 490 1HB LEU 60 2HB LEU 60 -4.817 0.801 -0.579 491 2HB LEU 60 1HB LEU 60 -5.457 0.875 -2.220 492 HG LEU 60 HG LEU 60 -3.753 3.083 -1.051 493 1HD1 LEU 60 3HD1 LEU 60 -2.607 0.791 -1.115 494 2HD1 LEU 60 2HD1 LEU 60 -2.768 0.877 -2.869 495 3HD1 LEU 60 1HD1 LEU 60 -1.814 2.087 -2.010 496 1HD2 LEU 60 3HD2 LEU 60 -5.322 3.132 -3.234 497 2HD2 LEU 60 2HD2 LEU 60 -3.775 3.976 -3.173 498 3HD2 LEU 60 1HD2 LEU 60 -3.886 2.397 -3.948 499 H ASN 61 H ASN 61 -6.565 1.111 1.317 500 HA ASN 61 HA ASN 61 -8.695 -0.676 0.517 501 1HB ASN 61 2HB ASN 61 -7.283 -0.034 3.079 502 2HB ASN 61 1HB ASN 61 -8.796 -0.939 3.145 503 1HD2 ASN 61 2HD2 ASN 61 -7.327 -3.933 2.004 504 2HD2 ASN 61 1HD2 ASN 61 -8.705 -3.157 2.621 505 H MET 62 H MET 62 -8.628 2.550 1.845 506 HA MET 62 HA MET 62 -11.380 2.423 2.847 507 1HB MET 62 2HB MET 62 -9.140 4.292 2.969 508 2HB MET 62 1HB MET 62 -10.659 5.122 2.640 509 1HG MET 62 2HG MET 62 -11.688 4.174 4.604 510 2HG MET 62 1HG MET 62 -10.314 3.102 4.872 511 1HE MET 62 1HE MET 62 -11.369 6.461 4.048 512 2HE MET 62 3HE MET 62 -10.819 7.527 5.348 513 3HE MET 62 2HE MET 62 -9.776 7.210 3.964 514 H TYR 63 H TYR 63 -10.316 2.380 -0.254 515 HA TYR 63 HA TYR 63 -12.565 4.125 -1.166 516 1HB TYR 63 2HB TYR 63 -9.841 3.654 -2.381 517 2HB TYR 63 1HB TYR 63 -11.187 4.292 -3.329 518 HD1 TYR 63 HD2 TYR 63 -12.588 6.168 -1.872 519 HD2 TYR 63 HD1 TYR 63 -8.397 5.284 -1.545 520 HE1 TYR 63 HE2 TYR 63 -12.184 8.433 -0.950 521 HE2 TYR 63 HE1 TYR 63 -7.992 7.552 -0.623 522 HH TYR 63 HH TYR 63 -10.185 10.041 -0.841 523 H GLY 64 H GLY 64 -10.717 1.144 -1.795 524 1HA GLY 64 2HA GLY 64 -12.778 -0.593 -2.258 525 2HA GLY 64 1HA GLY 64 -12.656 0.243 -3.802 526 H TRP 65 H TRP 65 -9.646 0.525 -3.346 527 HA TRP 65 HA TRP 65 -8.801 -1.752 -4.838 528 1HB TRP 65 2HB TRP 65 -7.201 0.120 -3.057 529 2HB TRP 65 1HB TRP 65 -6.489 -1.050 -4.166 530 HD1 TRP 65 HD1 TRP 65 -8.445 2.218 -4.091 531 HE1 TRP 65 HE1 TRP 65 -8.338 3.304 -6.427 532 HE3 TRP 65 HE3 TRP 65 -6.201 -1.547 -6.716 533 HZ2 TRP 65 HZ2 TRP 65 -7.423 2.661 -9.060 534 HZ3 TRP 65 HZ3 TRP 65 -5.726 -1.284 -9.134 535 HH2 TRP 65 HH2 TRP 65 -6.334 0.812 -10.309 536 H HIS 66 H HIS 66 -9.219 -3.766 -3.943 537 HA HIS 66 HA HIS 66 -8.302 -4.259 -1.141 538 1HB HIS 66 2HB HIS 66 -10.202 -5.818 -2.922 539 2HB HIS 66 1HB HIS 66 -9.703 -6.332 -1.311 540 HD1 HIS 66 HD1 HIS 66 -9.937 -3.934 0.398 541 HD2 HIS 66 HD2 HIS 66 -12.689 -4.666 -2.648 542 HE1 HIS 66 HE1 HIS 66 -12.025 -2.628 0.990 543 H LYS 67 H LYS 67 -7.795 -6.915 -1.130 544 HA LYS 67 HA LYS 67 -5.490 -7.143 -3.003 545 1HB LYS 67 2HB LYS 67 -6.148 -8.722 -0.493 546 2HB LYS 67 1HB LYS 67 -4.689 -8.910 -1.465 547 1HG LYS 67 2HG LYS 67 -5.302 -6.141 -0.590 548 2HG LYS 67 1HG LYS 67 -4.839 -7.262 0.689 549 1HD LYS 67 2HD LYS 67 -3.177 -7.403 -1.760 550 2HD LYS 67 1HD LYS 67 -3.048 -5.895 -0.853 551 1HE LYS 67 2HE LYS 67 -2.259 -6.970 1.076 552 2HE LYS 67 1HE LYS 67 -2.906 -8.535 0.583 553 1HZ LYS 67 3HZ LYS 67 -0.737 -7.143 -0.881 554 2HZ LYS 67 2HZ LYS 67 -0.446 -8.273 0.354 555 3HZ LYS 67 1HZ LYS 67 -1.247 -8.750 -1.066 556 H VAL 68 H VAL 68 -7.928 -7.516 -4.195 557 HA VAL 68 HA VAL 68 -8.418 -10.441 -4.300 558 HB VAL 68 HB VAL 68 -9.902 -8.171 -5.654 559 1HG1 VAL 68 1HG1 VAL 68 -10.024 -11.047 -5.919 560 2HG1 VAL 68 3HG1 VAL 68 -11.539 -10.452 -5.237 561 3HG1 VAL 68 2HG1 VAL 68 -10.954 -9.817 -6.773 562 1HG2 VAL 68 3HG2 VAL 68 -9.816 -8.405 -3.018 563 2HG2 VAL 68 2HG2 VAL 68 -11.346 -8.084 -3.832 564 3HG2 VAL 68 1HG2 VAL 68 -10.952 -9.722 -3.311 565 H GLN 69 H GLN 69 -6.895 -11.380 -5.603 566 HA GLN 69 HA GLN 69 -6.526 -10.210 -8.334 567 1HB GLN 69 2HB GLN 69 -4.549 -10.597 -6.466 568 2HB GLN 69 1HB GLN 69 -4.473 -12.109 -7.370 569 1HG GLN 69 2HG GLN 69 -4.563 -9.435 -8.769 570 2HG GLN 69 1HG GLN 69 -3.040 -10.152 -8.241 571 1HE2 GLN 69 2HE2 GLN 69 -4.834 -11.544 -11.582 572 2HE2 GLN 69 1HE2 GLN 69 -5.440 -10.206 -10.730 573 H ASP 70 H ASP 70 -8.589 -12.099 -7.386 574 HA ASP 70 HA ASP 70 -8.420 -14.033 -9.517 575 1HB ASP 70 2HB ASP 70 -7.414 -14.787 -6.853 576 2HB ASP 70 1HB ASP 70 -8.643 -15.886 -7.478 577 H VAL 71 H VAL 71 -10.321 -15.677 -9.216 578 HA VAL 71 HA VAL 71 -12.609 -14.162 -8.041 579 HB VAL 71 HB VAL 71 -12.669 -16.351 -10.140 580 1HG1 VAL 71 2HG1 VAL 71 -14.734 -15.934 -8.710 581 2HG1 VAL 71 1HG1 VAL 71 -14.788 -14.315 -9.406 582 3HG1 VAL 71 3HG1 VAL 71 -14.968 -15.729 -10.446 583 1HG2 VAL 71 3HG2 VAL 71 -11.582 -13.925 -10.575 584 2HG2 VAL 71 2HG2 VAL 71 -12.551 -14.752 -11.794 585 3HG2 VAL 71 1HG2 VAL 71 -13.281 -13.504 -10.784 586 H LYS 72 H LYS 72 -10.915 -17.233 -8.029 587 HA LYS 72 HA LYS 72 -12.777 -18.167 -5.881 588 1HB LYS 72 2HB LYS 72 -12.546 -19.391 -8.284 589 2HB LYS 72 1HB LYS 72 -11.236 -20.192 -7.418 590 1HG LYS 72 2HG LYS 72 -12.906 -20.604 -5.532 591 2HG LYS 72 1HG LYS 72 -14.162 -20.089 -6.657 592 1HD LYS 72 2HD LYS 72 -14.188 -22.351 -7.100 593 2HD LYS 72 1HD LYS 72 -12.940 -21.858 -8.244 594 1HE LYS 72 2HE LYS 72 -11.296 -22.917 -7.087 595 2HE LYS 72 1HE LYS 72 -11.932 -22.398 -5.526 596 1HZ LYS 72 1HZ LYS 72 -13.728 -24.080 -5.852 597 2HZ LYS 72 3HZ LYS 72 -12.865 -24.665 -7.191 598 3HZ LYS 72 2HZ LYS 72 -12.173 -24.732 -5.641 599 H SER 73 H SER 73 -10.478 -16.592 -5.376 600 HA SER 73 HA SER 73 -8.302 -18.407 -4.575 601 1HB SER 73 2HB SER 73 -7.904 -16.061 -5.414 602 2HB SER 73 1HB SER 73 -8.653 -15.462 -3.937 603 HG SER 73 HG SER 73 -6.700 -15.654 -3.173 604 H GLY 74 H GLY 74 -10.567 -16.194 -2.906 605 1HA GLY 74 2HA GLY 74 -11.592 -16.418 -0.800 606 2HA GLY 74 1HA GLY 74 -11.004 -18.079 -0.749 607 H SER 75 H SER 75 -9.780 -14.729 -0.486 608 HA SER 75 HA SER 75 -8.150 -13.814 0.924 609 1HB SER 75 2HB SER 75 -9.716 -15.333 2.537 610 2HB SER 75 1HB SER 75 -8.167 -16.139 2.770 611 HG SER 75 HG SER 75 -9.011 -13.850 3.809 612 H MET 76 H MET 76 -6.192 -13.878 -0.077 613 HA MET 76 HA MET 76 -4.788 -16.443 -0.465 614 1HB MET 76 2HB MET 76 -4.916 -14.347 -2.094 615 2HB MET 76 1HB MET 76 -3.554 -13.793 -1.121 616 1HG MET 76 2HG MET 76 -2.797 -16.359 -1.558 617 2HG MET 76 1HG MET 76 -3.721 -16.063 -3.030 618 1HE MET 76 1HE MET 76 -1.844 -16.741 -4.088 619 2HE MET 76 3HE MET 76 -1.866 -15.362 -5.196 620 3HE MET 76 2HE MET 76 -0.361 -15.851 -4.421 621 H LEU 77 H LEU 77 -4.666 -16.669 1.956 622 HA LEU 77 HA LEU 77 -2.745 -14.895 3.317 623 1HB LEU 77 2HB LEU 77 -4.871 -15.914 4.372 624 2HB LEU 77 1HB LEU 77 -3.951 -17.415 4.459 625 HG LEU 77 HG LEU 77 -2.176 -15.504 5.458 626 1HD1 LEU 77 2HD1 LEU 77 -5.001 -14.952 6.404 627 2HD1 LEU 77 1HD1 LEU 77 -3.563 -14.437 7.285 628 3HD1 LEU 77 3HD1 LEU 77 -3.878 -13.808 5.667 629 1HD2 LEU 77 3HD2 LEU 77 -3.900 -17.671 6.567 630 2HD2 LEU 77 2HD2 LEU 77 -2.147 -17.489 6.622 631 3HD2 LEU 77 1HD2 LEU 77 -3.164 -16.565 7.728 632 H SER 78 H SER 78 -1.300 -15.940 1.355 633 HA SER 78 HA SER 78 0.135 -18.297 2.502 634 1HB SER 78 2HB SER 78 -0.856 -18.264 0.063 635 2HB SER 78 1HB SER 78 0.561 -17.284 -0.299 636 HG SER 78 HG SER 78 1.786 -18.990 -0.066 637 H ASN 79 H ASN 79 0.511 -15.050 1.150 638 HA ASN 79 HA ASN 79 3.259 -14.960 2.337 639 1HB ASN 79 2HB ASN 79 2.346 -13.306 -0.031 640 2HB ASN 79 1HB ASN 79 3.992 -13.541 0.553 641 1HD2 ASN 79 2HD2 ASN 79 3.688 -17.144 -0.594 642 2HD2 ASN 79 1HD2 ASN 79 3.788 -16.436 0.945 643 H ASN 80 H ASN 80 3.742 -13.079 3.536 644 HA ASN 80 HA ASN 80 1.650 -10.974 3.696 645 1HB ASN 80 2HB ASN 80 2.193 -12.986 5.733 646 2HB ASN 80 1HB ASN 80 2.468 -11.364 6.364 647 1HD2 ASN 80 2HD2 ASN 80 -0.974 -10.687 6.623 648 2HD2 ASN 80 1HD2 ASN 80 0.612 -10.297 7.086 649 H ASP 81 H ASP 81 4.170 -10.810 2.446 650 HA ASP 81 HA ASP 81 5.249 -8.444 3.610 651 1HB ASP 81 2HB ASP 81 6.147 -10.802 4.900 652 2HB ASP 81 1HB ASP 81 7.488 -10.273 3.887 653 H SER 82 H SER 82 6.138 -7.406 1.868 654 HA SER 82 HA SER 82 7.226 -7.047 -0.155 655 1HB SER 82 2HB SER 82 8.659 -9.159 1.024 656 2HB SER 82 1HB SER 82 8.325 -9.700 -0.619 657 HG SER 82 HG SER 82 9.538 -8.131 -1.386 658 H ARG 83 H ARG 83 6.230 -7.013 -2.034 659 HA ARG 83 HA ARG 83 5.088 -7.709 -3.963 660 1HB ARG 83 2HB ARG 83 6.127 -10.074 -3.305 661 2HB ARG 83 1HB ARG 83 4.450 -10.415 -2.876 662 1HG ARG 83 2HG ARG 83 4.218 -10.913 -5.078 663 2HG ARG 83 1HG ARG 83 4.132 -9.165 -5.287 664 1HD ARG 83 2HD ARG 83 5.787 -10.189 -6.824 665 2HD ARG 83 1HD ARG 83 6.549 -9.071 -5.693 666 HE ARG 83 HE ARG 83 6.553 -11.820 -4.729 667 1HH1 ARG 83 2HH1 ARG 83 7.816 -11.413 -7.587 668 2HH1 ARG 83 1HH1 ARG 83 9.488 -11.315 -7.143 669 1HH2 ARG 83 1HH2 ARG 83 8.839 -10.853 -3.769 670 2HH2 ARG 83 2HH2 ARG 83 10.066 -10.996 -4.983 671 H TRP 84 H TRP 84 3.357 -6.377 -3.649 672 HA TRP 84 HA TRP 84 1.063 -7.500 -2.088 673 1HB TRP 84 2HB TRP 84 1.808 -4.585 -2.515 674 2HB TRP 84 1HB TRP 84 0.379 -5.156 -1.655 675 HD1 TRP 84 HD1 TRP 84 4.174 -5.959 -1.452 676 HE1 TRP 84 HE1 TRP 84 4.847 -6.002 1.034 677 HE3 TRP 84 HE3 TRP 84 -0.336 -4.906 0.700 678 HZ2 TRP 84 HZ2 TRP 84 3.634 -5.637 3.598 679 HZ3 TRP 84 HZ3 TRP 84 -0.548 -4.760 3.165 680 HH2 TRP 84 HH2 TRP 84 1.431 -5.124 4.615 681 H GLU 85 H GLU 85 -1.093 -6.730 -2.962 682 HA GLU 85 HA GLU 85 -1.005 -6.013 -5.852 683 1HB GLU 85 2HB GLU 85 -2.477 -8.382 -4.655 684 2HB GLU 85 1HB GLU 85 -2.770 -7.762 -6.281 685 1HG GLU 85 2HG GLU 85 -0.509 -8.251 -6.959 686 2HG GLU 85 1HG GLU 85 -0.039 -8.635 -5.302 687 H PHE 86 H PHE 86 -2.871 -4.879 -6.560 688 HA PHE 86 HA PHE 86 -4.978 -4.320 -4.522 689 1HB PHE 86 2HB PHE 86 -3.332 -2.287 -6.046 690 2HB PHE 86 1HB PHE 86 -4.862 -1.885 -5.268 691 HD1 PHE 86 HD2 PHE 86 -1.499 -3.371 -4.593 692 HD2 PHE 86 HD1 PHE 86 -4.940 -1.387 -2.971 693 HE1 PHE 86 HE2 PHE 86 -0.334 -3.128 -2.418 694 HE2 PHE 86 HE1 PHE 86 -3.779 -1.144 -0.793 695 HZ PHE 86 HZ PHE 86 -1.474 -2.016 -0.516 696 H GLU 87 H GLU 87 -7.026 -4.172 -5.426 697 HA GLU 87 HA GLU 87 -7.286 -3.822 -8.360 698 1HB GLU 87 2HB GLU 87 -8.011 -6.270 -6.789 699 2HB GLU 87 1HB GLU 87 -9.045 -5.792 -8.137 700 1HG GLU 87 2HG GLU 87 -7.506 -7.143 -9.233 701 2HG GLU 87 1HG GLU 87 -6.748 -5.562 -9.413 702 H ASN 88 H ASN 88 -8.701 -2.154 -8.514 703 HA ASN 88 HA ASN 88 -11.057 -2.136 -6.667 704 1HB ASN 88 2HB ASN 88 -9.494 -0.214 -6.332 705 2HB ASN 88 1HB ASN 88 -9.757 0.254 -8.012 706 1HD2 ASN 88 2HD2 ASN 88 -12.536 2.166 -6.996 707 2HD2 ASN 88 1HD2 ASN 88 -11.091 2.090 -7.886 708 H GLU 89 H GLU 89 -10.834 -3.565 -9.142 709 HA GLU 89 HA GLU 89 -12.954 -2.161 -10.705 710 1HB GLU 89 2HB GLU 89 -10.478 -2.196 -11.664 711 2HB GLU 89 1HB GLU 89 -10.924 -3.837 -12.132 712 1HG GLU 89 2HG GLU 89 -11.531 -2.483 -13.986 713 2HG GLU 89 1HG GLU 89 -13.044 -2.802 -13.138 714 H ARG 90 H ARG 90 -14.464 -3.587 -9.636 715 HA ARG 90 HA ARG 90 -14.311 -6.409 -10.623 716 1HB ARG 90 2HB ARG 90 -15.572 -7.037 -8.540 717 2HB ARG 90 1HB ARG 90 -13.945 -6.433 -8.226 718 1HG ARG 90 2HG ARG 90 -14.869 -4.192 -7.744 719 2HG ARG 90 1HG ARG 90 -16.496 -4.803 -8.042 720 1HD ARG 90 2HD ARG 90 -14.881 -6.353 -6.095 721 2HD ARG 90 1HD ARG 90 -15.364 -4.739 -5.578 722 HE ARG 90 HE ARG 90 -17.745 -5.572 -6.325 723 1HH1 ARG 90 1HH2 ARG 90 -15.760 -6.637 -3.898 724 2HH1 ARG 90 2HH2 ARG 90 -16.564 -8.147 -3.631 725 1HH2 ARG 90 2HH1 ARG 90 -18.562 -7.885 -6.451 726 2HH2 ARG 90 1HH1 ARG 90 -18.149 -8.853 -5.075 727 H HIS 91 H HIS 91 -16.266 -7.293 -11.380 728 HA HIS 91 HA HIS 91 -18.717 -5.641 -11.246 729 1HB HIS 91 2HB HIS 91 -16.993 -5.792 -13.583 730 2HB HIS 91 1HB HIS 91 -18.583 -6.460 -13.951 731 HD1 HIS 91 HD1 HIS 91 -20.300 -4.628 -12.122 732 HD2 HIS 91 HD2 HIS 91 -17.301 -3.230 -14.656 733 HE1 HIS 91 HE1 HIS 91 -20.823 -2.192 -12.574 734 H ALA 92 HN ALA 92 -17.603 -8.403 -13.235 735 HA ALA 92 HA ALA 92 -19.171 -10.313 -11.689 736 1HB ALA 92 2HB ALA 92 -20.291 -9.043 -14.125 737 2HB ALA 92 1HB ALA 92 -20.428 -10.799 -14.051 738 3HB ALA 92 3HB ALA 92 -21.123 -9.807 -12.771 No H/Q in entry = 738 Start of MODEL 19 Raw file had 756 H/Q atoms Start of MODEL 19 1 1H ALA 1 3H ALA 1 -16.655 11.892 -3.897 2 2H ALA 1 2H ALA 1 -17.164 13.147 -4.923 3 3H ALA 1 1H ALA 1 -18.302 12.078 -4.256 4 HA ALA 1 HA ALA 1 -17.674 10.322 -5.613 5 1HB ALA 1 2HB ALA 1 -17.421 12.918 -7.161 6 2HB ALA 1 1HB ALA 1 -17.586 11.334 -7.919 7 3HB ALA 1 3HB ALA 1 -18.887 11.969 -6.911 8 H ARG 2 H ARG 2 -15.383 12.931 -6.501 9 HA ARG 2 HA ARG 2 -13.297 10.852 -6.913 10 1HB ARG 2 2HB ARG 2 -13.513 13.749 -7.766 11 2HB ARG 2 1HB ARG 2 -12.053 12.782 -7.995 12 1HG ARG 2 2HG ARG 2 -14.594 11.545 -8.915 13 2HG ARG 2 1HG ARG 2 -14.023 12.930 -9.846 14 1HD ARG 2 2HD ARG 2 -12.062 11.859 -10.496 15 2HD ARG 2 1HD ARG 2 -12.077 10.770 -9.109 16 HE ARG 2 HE ARG 2 -13.680 9.383 -10.258 17 1HH1 ARG 2 1HH2 ARG 2 -14.514 12.165 -11.680 18 2HH1 ARG 2 2HH2 ARG 2 -14.353 11.649 -13.325 19 1HH2 ARG 2 2HH1 ARG 2 -12.692 8.713 -12.515 20 2HH2 ARG 2 1HH1 ARG 2 -13.320 9.692 -13.798 21 HA PRO 3 HA PRO 3 -11.716 12.572 -3.105 22 1HB PRO 3 2HB PRO 3 -10.126 10.466 -2.368 23 2HB PRO 3 1HB PRO 3 -11.870 10.530 -2.060 24 1HG PRO 3 2HG PRO 3 -10.380 8.927 -4.069 25 2HG PRO 3 1HG PRO 3 -11.954 8.609 -3.321 26 1HD PRO 3 2HD PRO 3 -11.519 9.644 -5.923 27 2HD PRO 3 1HD PRO 3 -13.067 9.592 -5.056 28 H ALA 4 H ALA 4 -9.644 13.415 -2.465 29 HA ALA 4 HA ALA 4 -7.859 14.018 -4.646 30 1HB ALA 4 2HB ALA 4 -8.323 15.441 -2.567 31 2HB ALA 4 1HB ALA 4 -7.217 14.363 -1.715 32 3HB ALA 4 3HB ALA 4 -6.638 15.322 -3.076 33 H PHE 5 H PHE 5 -8.051 11.282 -2.585 34 HA PHE 5 HA PHE 5 -5.187 10.694 -2.566 35 1HB PHE 5 2HB PHE 5 -6.923 9.901 -0.844 36 2HB PHE 5 1HB PHE 5 -7.422 8.722 -2.059 37 HD1 PHE 5 HD2 PHE 5 -4.237 10.059 -0.575 38 HD2 PHE 5 HD1 PHE 5 -6.411 6.626 -1.968 39 HE1 PHE 5 HE2 PHE 5 -2.341 8.597 0.069 40 HE2 PHE 5 HE1 PHE 5 -4.514 5.163 -1.323 41 HZ PHE 5 HZ PHE 5 -2.480 6.149 -0.304 42 H VAL 6 H VAL 6 -8.041 9.516 -4.346 43 HA VAL 6 HA VAL 6 -6.523 7.657 -5.973 44 HB VAL 6 HB VAL 6 -9.248 8.903 -6.478 45 1HG1 VAL 6 1HG1 VAL 6 -7.860 6.472 -7.643 46 2HG1 VAL 6 3HG1 VAL 6 -9.572 6.830 -7.863 47 3HG1 VAL 6 2HG1 VAL 6 -8.352 7.926 -8.511 48 1HG2 VAL 6 2HG2 VAL 6 -8.623 7.403 -4.331 49 2HG2 VAL 6 1HG2 VAL 6 -10.181 7.273 -5.148 50 3HG2 VAL 6 3HG2 VAL 6 -8.904 6.110 -5.499 51 H ASN 7 H ASN 7 -7.424 11.047 -6.231 52 HA ASN 7 HA ASN 7 -6.722 11.327 -9.029 53 1HB ASN 7 2HB ASN 7 -6.996 13.361 -6.799 54 2HB ASN 7 1HB ASN 7 -6.743 13.780 -8.494 55 1HD2 ASN 7 2HD2 ASN 7 -10.230 13.717 -8.972 56 2HD2 ASN 7 1HD2 ASN 7 -8.771 14.564 -9.156 57 H LYS 8 H LYS 8 -5.004 12.041 -5.979 58 HA LYS 8 HA LYS 8 -2.625 13.000 -7.308 59 1HB LYS 8 2HB LYS 8 -1.588 12.937 -5.095 60 2HB LYS 8 1HB LYS 8 -3.209 13.612 -4.967 61 1HG LYS 8 2HG LYS 8 -3.959 11.192 -4.429 62 2HG LYS 8 1HG LYS 8 -2.248 10.873 -4.146 63 1HD LYS 8 2HD LYS 8 -3.830 13.078 -2.785 64 2HD LYS 8 1HD LYS 8 -3.459 11.515 -2.056 65 1HE LYS 8 2HE LYS 8 -1.115 11.956 -2.064 66 2HE LYS 8 1HE LYS 8 -1.307 13.344 -3.135 67 1HZ LYS 8 2HZ LYS 8 -2.544 14.471 -1.387 68 2HZ LYS 8 1HZ LYS 8 -2.335 13.139 -0.354 69 3HZ LYS 8 3HZ LYS 8 -0.989 14.045 -0.850 70 H LEU 9 H LEU 9 -3.800 9.830 -6.459 71 HA LEU 9 HA LEU 9 -1.208 8.516 -6.592 72 1HB LEU 9 2HB LEU 9 -3.129 7.584 -5.317 73 2HB LEU 9 1HB LEU 9 -3.992 7.337 -6.834 74 HG LEU 9 HG LEU 9 -2.182 5.838 -7.614 75 1HD1 LEU 9 2HD1 LEU 9 -0.900 6.875 -5.165 76 2HD1 LEU 9 1HD1 LEU 9 -0.745 5.131 -5.381 77 3HD1 LEU 9 3HD1 LEU 9 -0.167 6.231 -6.633 78 1HD2 LEU 9 2HD2 LEU 9 -4.199 5.209 -5.968 79 2HD2 LEU 9 1HD2 LEU 9 -3.013 4.006 -6.476 80 3HD2 LEU 9 3HD2 LEU 9 -2.861 4.784 -4.901 81 H TRP 10 H TRP 10 -3.584 9.516 -8.944 82 HA TRP 10 HA TRP 10 -2.975 7.641 -11.017 83 1HB TRP 10 2HB TRP 10 -4.290 10.288 -10.802 84 2HB TRP 10 1HB TRP 10 -3.658 9.876 -12.395 85 HD1 TRP 10 HD1 TRP 10 -6.171 9.677 -13.262 86 HE1 TRP 10 HE1 TRP 10 -7.871 7.746 -13.124 87 HE3 TRP 10 HE3 TRP 10 -4.049 6.877 -9.541 88 HZ2 TRP 10 HZ2 TRP 10 -8.280 5.343 -11.642 89 HZ3 TRP 10 HZ3 TRP 10 -5.121 4.778 -8.792 90 HH2 TRP 10 HH2 TRP 10 -7.231 4.006 -9.835 91 H SER 11 H SER 11 -1.099 10.223 -9.696 92 HA SER 11 HA SER 11 0.584 10.378 -12.144 93 1HB SER 11 2HB SER 11 -0.265 12.427 -10.703 94 2HB SER 11 1HB SER 11 1.099 12.000 -9.672 95 HG SER 11 HG SER 11 1.998 13.310 -11.135 96 H MET 12 H MET 12 0.597 9.306 -8.797 97 HA MET 12 HA MET 12 3.448 8.866 -8.595 98 1HB MET 12 2HB MET 12 1.096 8.468 -6.949 99 2HB MET 12 1HB MET 12 2.115 7.031 -6.889 100 1HG MET 12 2HG MET 12 4.071 8.722 -6.538 101 2HG MET 12 1HG MET 12 2.794 9.856 -6.099 102 1HE MET 12 2HE MET 12 4.179 6.542 -5.907 103 2HE MET 12 1HE MET 12 4.495 6.245 -4.199 104 3HE MET 12 3HE MET 12 2.974 5.708 -4.927 105 H VAL 13 H VAL 13 0.724 6.863 -9.657 106 HA VAL 13 HA VAL 13 2.499 4.540 -10.074 107 HB VAL 13 HB VAL 13 -0.394 4.729 -10.923 108 1HG1 VAL 13 3HG1 VAL 13 1.433 2.775 -11.330 109 2HG1 VAL 13 2HG1 VAL 13 0.833 2.289 -9.747 110 3HG1 VAL 13 1HG1 VAL 13 -0.283 2.445 -11.103 111 1HG2 VAL 13 3HG2 VAL 13 0.737 4.160 -8.164 112 2HG2 VAL 13 2HG2 VAL 13 -0.433 5.403 -8.603 113 3HG2 VAL 13 1HG2 VAL 13 -0.895 3.702 -8.652 114 H ASN 14 H ASN 14 2.203 7.295 -11.759 115 HA ASN 14 HA ASN 14 1.538 6.515 -14.417 116 1HB ASN 14 2HB ASN 14 2.164 8.878 -13.284 117 2HB ASN 14 1HB ASN 14 3.715 8.509 -14.041 118 1HD2 ASN 14 2HD2 ASN 14 0.437 9.180 -16.426 119 2HD2 ASN 14 1HD2 ASN 14 0.212 8.781 -14.792 120 H ASP 15 H ASP 15 4.306 5.795 -12.463 121 HA ASP 15 HA ASP 15 6.166 4.454 -12.889 122 1HB ASP 15 2HB ASP 15 5.040 3.953 -15.655 123 2HB ASP 15 1HB ASP 15 6.133 2.929 -14.728 124 H LYS 16 H LYS 16 5.960 7.362 -13.705 125 HA LYS 16 HA LYS 16 7.846 7.477 -15.984 126 1HB LYS 16 2HB LYS 16 5.837 9.103 -15.541 127 2HB LYS 16 1HB LYS 16 6.941 9.875 -14.401 128 1HG LYS 16 2HG LYS 16 7.549 11.050 -16.279 129 2HG LYS 16 1HG LYS 16 8.603 9.657 -16.504 130 1HD LYS 16 2HD LYS 16 7.575 9.178 -18.445 131 2HD LYS 16 1HD LYS 16 6.047 8.974 -17.592 132 1HE LYS 16 2HE LYS 16 5.258 10.876 -18.501 133 2HE LYS 16 1HE LYS 16 6.613 11.790 -17.844 134 1HZ LYS 16 2HZ LYS 16 7.945 10.990 -19.751 135 2HZ LYS 16 1HZ LYS 16 6.539 10.300 -20.408 136 3HZ LYS 16 3HZ LYS 16 6.641 11.981 -20.204 137 H SER 17 H SER 17 7.713 8.658 -12.601 138 HA SER 17 HA SER 17 10.659 8.967 -12.612 139 1HB SER 17 2HB SER 17 8.427 9.840 -10.821 140 2HB SER 17 1HB SER 17 10.024 9.634 -10.108 141 HG SER 17 HG SER 17 9.743 11.743 -10.919 142 H ASN 18 H ASN 18 8.108 7.053 -11.078 143 HA ASN 18 HA ASN 18 10.180 5.332 -9.793 144 1HB ASN 18 2HB ASN 18 7.204 5.018 -9.391 145 2HB ASN 18 1HB ASN 18 8.514 4.566 -8.304 146 1HD2 ASN 18 2HD2 ASN 18 6.880 8.255 -8.038 147 2HD2 ASN 18 1HD2 ASN 18 6.273 7.075 -9.098 148 H GLU 19 H GLU 19 10.082 5.145 -12.521 149 HA GLU 19 HA GLU 19 8.224 3.233 -13.563 150 1HB GLU 19 2HB GLU 19 9.615 4.780 -14.945 151 2HB GLU 19 1HB GLU 19 11.034 3.826 -14.533 152 1HG GLU 19 2HG GLU 19 8.795 2.197 -15.528 153 2HG GLU 19 1HG GLU 19 9.386 3.369 -16.706 154 H LYS 20 H LYS 20 11.045 2.823 -11.569 155 HA LYS 20 HA LYS 20 11.036 -0.104 -12.188 156 1HB LYS 20 2HB LYS 20 13.190 1.346 -12.409 157 2HB LYS 20 1HB LYS 20 13.216 1.284 -10.647 158 1HG LYS 20 2HG LYS 20 14.486 -0.598 -11.218 159 2HG LYS 20 1HG LYS 20 12.880 -1.290 -10.993 160 1HD LYS 20 2HD LYS 20 12.479 -1.071 -13.445 161 2HD LYS 20 1HD LYS 20 14.135 -0.495 -13.635 162 1HE LYS 20 2HE LYS 20 14.319 -2.796 -14.087 163 2HE LYS 20 1HE LYS 20 14.800 -2.682 -12.394 164 1HZ LYS 20 1HZ LYS 20 11.983 -3.148 -13.134 165 2HZ LYS 20 3HZ LYS 20 13.081 -4.440 -13.061 166 3HZ LYS 20 2HZ LYS 20 12.779 -3.505 -11.675 167 H PHE 21 H PHE 21 9.353 1.623 -10.205 168 HA PHE 21 HA PHE 21 9.819 -0.182 -7.879 169 1HB PHE 21 2HB PHE 21 9.180 2.775 -7.722 170 2HB PHE 21 1HB PHE 21 9.352 1.683 -6.350 171 HD1 PHE 21 HD1 PHE 21 11.596 0.381 -6.152 172 HD2 PHE 21 HD2 PHE 21 11.062 3.884 -8.582 173 HE1 PHE 21 HE1 PHE 21 14.050 0.746 -6.166 174 HE2 PHE 21 HE2 PHE 21 13.515 4.248 -8.596 175 HZ PHE 21 HZ PHE 21 15.009 2.680 -7.389 176 H ILE 22 H ILE 22 7.565 1.026 -10.142 177 HA ILE 22 HA ILE 22 5.403 -0.450 -8.921 178 HB ILE 22 HB ILE 22 5.362 1.591 -7.512 179 1HG1 ILE 22 2HG1 ILE 22 3.005 1.719 -9.390 180 2HG1 ILE 22 1HG1 ILE 22 3.262 0.323 -8.343 181 1HG2 ILE 22 3HG2 ILE 22 4.866 3.022 -10.142 182 2HG2 ILE 22 2HG2 ILE 22 4.755 3.757 -8.542 183 3HG2 ILE 22 1HG2 ILE 22 6.309 3.174 -9.140 184 1HD1 ILE 22 1HD1 ILE 22 3.359 3.097 -7.186 185 2HD1 ILE 22 3HD1 ILE 22 1.803 2.315 -7.466 186 3HD1 ILE 22 2HD1 ILE 22 2.981 1.573 -6.384 187 H HIS 23 H HIS 23 3.882 -0.962 -10.494 188 HA HIS 23 HA HIS 23 3.690 0.669 -12.941 189 1HB HIS 23 2HB HIS 23 4.092 -1.400 -14.376 190 2HB HIS 23 1HB HIS 23 5.523 -0.703 -13.617 191 HD1 HIS 23 HD1 HIS 23 6.949 -2.346 -12.416 192 HD2 HIS 23 HD2 HIS 23 2.986 -3.626 -12.600 193 HE1 HIS 23 HE1 HIS 23 6.886 -4.633 -11.336 194 H TRP 24 H TRP 24 2.031 -0.334 -14.466 195 HA TRP 24 HA TRP 24 -0.307 -1.156 -12.867 196 1HB TRP 24 2HB TRP 24 0.079 -0.359 -15.762 197 2HB TRP 24 1HB TRP 24 -1.461 -0.938 -15.137 198 HD1 TRP 24 HD1 TRP 24 0.990 1.461 -13.352 199 HE1 TRP 24 HE1 TRP 24 -0.258 3.661 -12.867 200 HE3 TRP 24 HE3 TRP 24 -3.442 0.492 -15.694 201 HZ2 TRP 24 HZ2 TRP 24 -2.805 4.856 -13.403 202 HZ3 TRP 24 HZ3 TRP 24 -5.259 2.176 -15.693 203 HH2 TRP 24 HH2 TRP 24 -4.946 4.356 -14.553 204 H SER 25 H SER 25 -1.657 -2.996 -13.624 205 HA SER 25 HA SER 25 0.042 -5.292 -14.398 206 1HB SER 25 2HB SER 25 -1.806 -5.202 -12.512 207 2HB SER 25 1HB SER 25 -2.905 -5.502 -13.856 208 HG SER 25 HG SER 25 -1.377 -7.233 -12.564 209 H THR 26 H THR 26 -0.110 -6.314 -16.369 210 HA THR 26 HA THR 26 -1.385 -4.963 -18.572 211 HB THR 26 HB THR 26 -0.396 -7.827 -18.510 212 HG1 THR 26 HG1 THR 26 1.432 -6.904 -18.071 213 1HG2 THR 26 3HG2 THR 26 -1.205 -5.880 -20.602 214 2HG2 THR 26 2HG2 THR 26 0.233 -6.841 -20.943 215 3HG2 THR 26 1HG2 THR 26 -1.302 -7.641 -20.604 216 H SER 27 H SER 27 -3.498 -5.071 -19.140 217 HA SER 27 HA SER 27 -5.715 -5.824 -19.293 218 1HB SER 27 2HB SER 27 -4.258 -8.480 -19.195 219 2HB SER 27 1HB SER 27 -5.983 -8.325 -19.514 220 HG SER 27 HG SER 27 -3.794 -7.353 -21.025 221 H GLY 28 H GLY 28 -6.372 -4.983 -17.250 222 1HA GLY 28 2HA GLY 28 -7.744 -6.468 -15.458 223 2HA GLY 28 1HA GLY 28 -6.099 -6.688 -14.859 224 H GLU 29 H GLU 29 -5.340 -3.933 -15.770 225 HA GLU 29 HA GLU 29 -5.225 -1.788 -14.827 226 1HB GLU 29 2HB GLU 29 -7.597 -1.738 -15.674 227 2HB GLU 29 1HB GLU 29 -8.124 -2.292 -14.085 228 1HG GLU 29 2HG GLU 29 -7.537 -0.294 -13.042 229 2HG GLU 29 1HG GLU 29 -6.343 0.116 -14.274 230 H SER 30 H SER 30 -3.784 -2.353 -13.121 231 HA SER 30 HA SER 30 -4.891 -2.078 -10.445 232 1HB SER 30 2HB SER 30 -5.389 -4.401 -10.593 233 2HB SER 30 1HB SER 30 -3.866 -4.754 -11.405 234 HG SER 30 HG SER 30 -3.124 -5.104 -9.477 235 H ILE 31 H ILE 31 -3.102 -2.188 -8.785 236 HA ILE 31 HA ILE 31 -0.563 -1.188 -9.991 237 HB ILE 31 HB ILE 31 -1.556 -0.932 -7.131 238 1HG1 ILE 31 2HG1 ILE 31 -1.506 1.221 -9.259 239 2HG1 ILE 31 1HG1 ILE 31 -2.933 0.226 -8.966 240 1HG2 ILE 31 1HG2 ILE 31 0.882 -0.095 -8.619 241 2HG2 ILE 31 3HG2 ILE 31 0.200 1.081 -7.497 242 3HG2 ILE 31 2HG2 ILE 31 0.690 -0.510 -6.916 243 1HD1 ILE 31 2HD1 ILE 31 -1.541 1.754 -6.758 244 2HD1 ILE 31 1HD1 ILE 31 -2.854 2.446 -7.709 245 3HD1 ILE 31 3HD1 ILE 31 -3.142 1.014 -6.720 246 H VAL 32 H VAL 32 1.427 -2.153 -9.386 247 HA VAL 32 HA VAL 32 1.225 -4.576 -7.645 248 HB VAL 32 HB VAL 32 2.804 -4.424 -10.227 249 1HG1 VAL 32 3HG1 VAL 32 3.628 -5.935 -8.366 250 2HG1 VAL 32 2HG1 VAL 32 2.105 -6.813 -8.499 251 3HG1 VAL 32 1HG1 VAL 32 3.219 -6.769 -9.866 252 1HG2 VAL 32 1HG2 VAL 32 0.357 -4.427 -10.631 253 2HG2 VAL 32 3HG2 VAL 32 1.094 -5.950 -11.129 254 3HG2 VAL 32 2HG2 VAL 32 0.201 -5.857 -9.612 255 H VAL 33 H VAL 33 2.810 -4.684 -6.128 256 HA VAL 33 HA VAL 33 5.167 -2.860 -6.447 257 HB VAL 33 HB VAL 33 3.774 -3.745 -3.894 258 1HG1 VAL 33 3HG1 VAL 33 6.266 -3.413 -3.706 259 2HG1 VAL 33 2HG1 VAL 33 6.037 -1.754 -4.254 260 3HG1 VAL 33 1HG1 VAL 33 5.327 -2.284 -2.729 261 1HG2 VAL 33 3HG2 VAL 33 3.586 -1.352 -5.653 262 2HG2 VAL 33 2HG2 VAL 33 2.365 -2.082 -4.610 263 3HG2 VAL 33 1HG2 VAL 33 3.614 -1.049 -3.915 264 HA PRO 34 HA PRO 34 6.823 -7.081 -6.226 265 1HB PRO 34 2HB PRO 34 9.104 -6.595 -7.670 266 2HB PRO 34 1HB PRO 34 7.562 -7.051 -8.412 267 1HG PRO 34 2HG PRO 34 8.895 -4.391 -8.337 268 2HG PRO 34 1HG PRO 34 7.758 -5.046 -9.528 269 1HD PRO 34 2HD PRO 34 7.123 -3.211 -7.479 270 2HD PRO 34 1HD PRO 34 5.960 -4.133 -8.450 271 H ASN 35 H ASN 35 8.682 -4.039 -6.016 272 HA ASN 35 HA ASN 35 10.268 -5.227 -3.785 273 1HB ASN 35 2HB ASN 35 10.919 -3.443 -5.988 274 2HB ASN 35 1HB ASN 35 11.344 -2.703 -4.446 275 1HD2 ASN 35 2HD2 ASN 35 13.530 -5.582 -3.618 276 2HD2 ASN 35 1HD2 ASN 35 12.229 -4.774 -2.886 277 H ARG 36 H ARG 36 8.363 -4.902 -2.383 278 HA ARG 36 HA ARG 36 7.195 -2.367 -1.813 279 1HB ARG 36 2HB ARG 36 6.230 -4.499 -1.048 280 2HB ARG 36 1HB ARG 36 7.624 -4.773 -0.007 281 1HG ARG 36 2HG ARG 36 6.628 -2.188 0.642 282 2HG ARG 36 1HG ARG 36 5.229 -3.253 0.542 283 1HD ARG 36 2HD ARG 36 5.795 -3.772 2.692 284 2HD ARG 36 1HD ARG 36 6.952 -4.850 1.912 285 HE ARG 36 HE ARG 36 7.900 -2.106 2.440 286 1HH1 ARG 36 1HH2 ARG 36 9.676 -4.509 2.018 287 2HH1 ARG 36 2HH2 ARG 36 10.199 -4.849 3.635 288 1HH2 ARG 36 2HH1 ARG 36 7.722 -2.934 5.122 289 2HH2 ARG 36 1HH1 ARG 36 9.094 -3.957 5.391 290 H GLU 37 H GLU 37 10.282 -3.721 -0.941 291 HA GLU 37 HA GLU 37 10.761 -1.996 1.343 292 1HB GLU 37 2HB GLU 37 11.906 -4.198 0.964 293 2HB GLU 37 1HB GLU 37 12.789 -3.457 -0.371 294 1HG GLU 37 2HG GLU 37 14.310 -3.071 1.315 295 2HG GLU 37 1HG GLU 37 13.318 -1.624 1.506 296 H ARG 38 H ARG 38 12.515 -2.074 -1.787 297 HA ARG 38 HA ARG 38 13.682 0.486 -1.516 298 1HB ARG 38 2HB ARG 38 13.161 -1.375 -3.777 299 2HB ARG 38 1HB ARG 38 13.534 0.298 -4.195 300 1HG ARG 38 2HG ARG 38 15.681 -0.556 -4.069 301 2HG ARG 38 1HG ARG 38 15.464 -0.052 -2.394 302 1HD ARG 38 2HD ARG 38 16.055 -2.200 -1.921 303 2HD ARG 38 1HD ARG 38 14.377 -2.560 -2.324 304 HE ARG 38 HE ARG 38 15.456 -2.793 -4.759 305 1HH1 ARG 38 1HH2 ARG 38 18.014 -3.268 -4.845 306 2HH1 ARG 38 2HH2 ARG 38 18.370 -4.787 -4.091 307 1HH2 ARG 38 2HH1 ARG 38 15.336 -4.966 -2.420 308 2HH2 ARG 38 1HH1 ARG 38 16.852 -5.748 -2.718 309 H PHE 39 H PHE 39 10.412 -0.344 -2.353 310 HA PHE 39 HA PHE 39 9.801 2.138 -3.735 311 1HB PHE 39 2HB PHE 39 8.450 0.152 -4.154 312 2HB PHE 39 1HB PHE 39 8.018 0.043 -2.450 313 HD1 PHE 39 HD1 PHE 39 7.596 2.071 -5.538 314 HD2 PHE 39 HD2 PHE 39 6.301 1.412 -1.501 315 HE1 PHE 39 HE1 PHE 39 5.660 3.570 -5.918 316 HE2 PHE 39 HE2 PHE 39 4.362 2.912 -1.878 317 HZ PHE 39 HZ PHE 39 4.042 3.992 -4.087 318 H VAL 40 H VAL 40 8.476 0.938 -0.639 319 HA VAL 40 HA VAL 40 7.444 3.328 0.337 320 HB VAL 40 HB VAL 40 8.809 1.171 1.981 321 1HG1 VAL 40 3HG1 VAL 40 6.946 3.444 2.665 322 2HG1 VAL 40 2HG1 VAL 40 6.989 1.984 3.653 323 3HG1 VAL 40 1HG1 VAL 40 8.442 2.965 3.467 324 1HG2 VAL 40 3HG2 VAL 40 6.789 0.701 0.287 325 2HG2 VAL 40 2HG2 VAL 40 6.857 -0.063 1.872 326 3HG2 VAL 40 1HG2 VAL 40 5.847 1.360 1.621 327 H GLN 41 H GLN 41 10.809 2.230 0.581 328 HA GLN 41 HA GLN 41 11.640 4.401 2.297 329 1HB GLN 41 2HB GLN 41 13.097 2.362 0.635 330 2HB GLN 41 1HB GLN 41 13.971 3.663 1.442 331 1HG GLN 41 2HG GLN 41 12.257 2.712 3.423 332 2HG GLN 41 1HG GLN 41 12.767 1.248 2.582 333 1HE2 GLN 41 2HE2 GLN 41 15.441 3.302 4.865 334 2HE2 GLN 41 1HE2 GLN 41 13.864 3.885 4.637 335 H GLU 42 H GLU 42 12.447 3.808 -1.164 336 HA GLU 42 HA GLU 42 13.222 6.654 -1.376 337 1HB GLU 42 2HB GLU 42 13.467 4.384 -3.362 338 2HB GLU 42 1HB GLU 42 14.126 6.005 -3.579 339 1HG GLU 42 2HG GLU 42 15.761 5.708 -1.962 340 2HG GLU 42 1HG GLU 42 14.814 4.511 -1.077 341 H VAL 43 H VAL 43 10.281 5.699 -1.332 342 HA VAL 43 HA VAL 43 9.515 7.379 -3.651 343 HB VAL 43 HB VAL 43 8.177 4.696 -3.218 344 1HG1 VAL 43 3HG1 VAL 43 7.920 6.973 -5.159 345 2HG1 VAL 43 2HG1 VAL 43 7.533 5.335 -5.685 346 3HG1 VAL 43 1HG1 VAL 43 6.652 6.061 -4.341 347 1HG2 VAL 43 3HG2 VAL 43 10.406 5.553 -5.080 348 2HG2 VAL 43 2HG2 VAL 43 10.382 4.173 -3.981 349 3HG2 VAL 43 1HG2 VAL 43 9.372 4.166 -5.426 350 H LEU 44 H LEU 44 8.563 5.886 -0.569 351 HA LEU 44 HA LEU 44 5.948 7.098 -0.513 352 1HB LEU 44 2HB LEU 44 6.858 5.128 0.900 353 2HB LEU 44 1HB LEU 44 7.507 6.377 1.959 354 HG LEU 44 HG LEU 44 5.194 7.373 2.074 355 1HD1 LEU 44 2HD1 LEU 44 4.598 4.860 0.503 356 2HD1 LEU 44 1HD1 LEU 44 3.360 5.688 1.447 357 3HD1 LEU 44 3HD1 LEU 44 4.153 6.521 0.111 358 1HD2 LEU 44 2HD2 LEU 44 6.212 5.693 3.740 359 2HD2 LEU 44 1HD2 LEU 44 4.456 5.858 3.758 360 3HD2 LEU 44 3HD2 LEU 44 5.204 4.478 2.953 361 HA PRO 45 HA PRO 45 7.909 10.457 2.143 362 1HB PRO 45 2HB PRO 45 10.625 10.802 2.169 363 2HB PRO 45 1HB PRO 45 9.752 9.814 3.353 364 1HG PRO 45 2HG PRO 45 11.456 8.947 1.078 365 2HG PRO 45 1HG PRO 45 11.075 8.096 2.584 366 1HD PRO 45 2HD PRO 45 9.914 7.606 0.047 367 2HD PRO 45 1HD PRO 45 9.353 6.970 1.602 368 H LYS 46 H LYS 46 8.781 9.707 -1.054 369 HA LYS 46 HA LYS 46 9.894 12.328 -1.731 370 1HB LYS 46 2HB LYS 46 9.880 9.778 -2.913 371 2HB LYS 46 1HB LYS 46 8.930 10.785 -4.004 372 1HG LYS 46 2HG LYS 46 10.737 12.006 -4.647 373 2HG LYS 46 1HG LYS 46 11.390 12.080 -3.011 374 1HD LYS 46 2HD LYS 46 11.648 9.385 -3.725 375 2HD LYS 46 1HD LYS 46 12.068 10.261 -5.195 376 1HE LYS 46 2HE LYS 46 13.233 10.977 -2.497 377 2HE LYS 46 1HE LYS 46 13.993 9.808 -3.575 378 1HZ LYS 46 3HZ LYS 46 13.226 12.444 -4.621 379 2HZ LYS 46 2HZ LYS 46 14.642 12.302 -3.694 380 3HZ LYS 46 1HZ LYS 46 14.468 11.406 -5.127 381 H TYR 47 H TYR 47 6.726 10.856 -1.626 382 HA TYR 47 HA TYR 47 5.606 13.234 -3.052 383 1HB TYR 47 2HB TYR 47 4.600 10.410 -2.703 384 2HB TYR 47 1HB TYR 47 3.523 11.722 -3.190 385 HD1 TYR 47 HD2 TYR 47 6.690 9.968 -4.092 386 HD2 TYR 47 HD1 TYR 47 3.514 12.538 -5.417 387 HE1 TYR 47 HE2 TYR 47 7.522 9.796 -6.421 388 HE2 TYR 47 HE1 TYR 47 4.349 12.367 -7.746 389 HH TYR 47 HH TYR 47 7.269 11.483 -8.588 390 H PHE 48 H PHE 48 5.404 11.273 -0.126 391 HA PHE 48 HA PHE 48 3.505 13.271 1.032 392 1HB PHE 48 2HB PHE 48 4.144 10.472 2.017 393 2HB PHE 48 1HB PHE 48 2.910 11.553 2.664 394 HD1 PHE 48 HD2 PHE 48 3.914 9.565 -0.310 395 HD2 PHE 48 HD1 PHE 48 0.785 11.820 1.586 396 HE1 PHE 48 HE2 PHE 48 2.292 8.728 -1.989 397 HE2 PHE 48 HE1 PHE 48 -0.835 10.982 -0.095 398 HZ PHE 48 HZ PHE 48 -0.082 9.437 -1.881 399 H LYS 49 H LYS 49 3.981 12.925 3.714 400 HA LYS 49 HA LYS 49 6.899 13.504 4.014 401 1HB LYS 49 2HB LYS 49 4.519 15.078 4.953 402 2HB LYS 49 1HB LYS 49 6.008 15.115 5.897 403 1HG LYS 49 2HG LYS 49 7.232 15.713 3.762 404 2HG LYS 49 1HG LYS 49 5.655 15.911 2.997 405 1HD LYS 49 2HD LYS 49 5.179 17.437 5.106 406 2HD LYS 49 1HD LYS 49 6.937 17.560 5.146 407 1HE LYS 49 2HE LYS 49 7.041 18.731 3.167 408 2HE LYS 49 1HE LYS 49 5.611 17.941 2.503 409 1HZ LYS 49 2HZ LYS 49 4.272 19.216 4.125 410 2HZ LYS 49 1HZ LYS 49 5.675 20.061 4.579 411 3HZ LYS 49 3HZ LYS 49 5.078 20.201 2.998 412 H HIS 50 H HIS 50 4.276 13.456 6.422 413 HA HIS 50 HA HIS 50 5.843 11.484 7.985 414 1HB HIS 50 2HB HIS 50 3.535 13.325 8.618 415 2HB HIS 50 1HB HIS 50 4.003 12.032 9.722 416 HD1 HIS 50 HD1 HIS 50 7.080 12.191 9.381 417 HD2 HIS 50 HD2 HIS 50 4.634 15.518 9.950 418 HE1 HIS 50 HE1 HIS 50 8.562 14.018 10.323 419 H SER 51 H SER 51 4.766 10.296 5.746 420 HA SER 51 HA SER 51 2.438 8.763 6.843 421 1HB SER 51 2HB SER 51 3.140 9.212 3.929 422 2HB SER 51 1HB SER 51 1.724 8.364 4.544 423 HG SER 51 HG SER 51 0.815 10.245 4.634 424 H ASN 52 H ASN 52 2.813 6.625 7.167 425 HA ASN 52 HA ASN 52 5.341 5.472 6.092 426 1HB ASN 52 2HB ASN 52 4.274 5.415 8.636 427 2HB ASN 52 1HB ASN 52 3.772 3.852 7.993 428 1HD2 ASN 52 2HD2 ASN 52 6.971 2.532 8.602 429 2HD2 ASN 52 1HD2 ASN 52 5.289 2.311 8.633 430 H PHE 53 H PHE 53 5.036 2.947 5.704 431 HA PHE 53 HA PHE 53 3.377 2.607 3.426 432 1HB PHE 53 2HB PHE 53 3.752 0.119 3.834 433 2HB PHE 53 1HB PHE 53 5.213 1.094 3.706 434 HD1 PHE 53 HD1 PHE 53 2.880 -0.511 6.131 435 HD2 PHE 53 HD2 PHE 53 6.741 1.275 5.522 436 HE1 PHE 53 HE1 PHE 53 3.590 -1.272 8.383 437 HE2 PHE 53 HE2 PHE 53 7.447 0.515 7.772 438 HZ PHE 53 HZ PHE 53 5.873 -0.758 9.204 439 H ALA 54 H ALA 54 2.748 2.045 6.838 440 HA ALA 54 HA ALA 54 0.285 0.582 6.486 441 1HB ALA 54 1HB ALA 54 1.837 0.989 8.618 442 2HB ALA 54 3HB ALA 54 0.711 2.320 8.883 443 3HB ALA 54 2HB ALA 54 0.112 0.664 8.792 444 H SER 55 H SER 55 1.113 4.009 6.733 445 HA SER 55 HA SER 55 -1.547 5.030 7.018 446 1HB SER 55 2HB SER 55 0.371 6.467 7.435 447 2HB SER 55 1HB SER 55 0.933 6.261 5.779 448 HG SER 55 HG SER 55 -0.553 8.162 6.576 449 H PHE 56 H PHE 56 0.477 4.510 4.120 450 HA PHE 56 HA PHE 56 -1.433 5.427 2.213 451 1HB PHE 56 2HB PHE 56 1.108 4.718 1.972 452 2HB PHE 56 1HB PHE 56 0.405 3.157 1.547 453 HD1 PHE 56 HD2 PHE 56 -1.461 3.147 -0.249 454 HD2 PHE 56 HD1 PHE 56 1.231 6.435 0.369 455 HE1 PHE 56 HE2 PHE 56 -1.971 3.991 -2.524 456 HE2 PHE 56 HE1 PHE 56 0.722 7.280 -1.907 457 HZ PHE 56 HZ PHE 56 -0.879 6.056 -3.353 458 H VAL 57 H VAL 57 -0.916 2.238 3.679 459 HA VAL 57 HA VAL 57 -2.825 0.820 2.063 460 HB VAL 57 HB VAL 57 -1.952 0.247 4.914 461 1HG1 VAL 57 1HG1 VAL 57 -3.352 -1.380 2.789 462 2HG1 VAL 57 3HG1 VAL 57 -2.457 -2.149 4.099 463 3HG1 VAL 57 2HG1 VAL 57 -3.837 -1.115 4.464 464 1HG2 VAL 57 2HG2 VAL 57 -0.415 0.294 2.533 465 2HG2 VAL 57 1HG2 VAL 57 0.049 -0.387 4.091 466 3HG2 VAL 57 3HG2 VAL 57 -0.722 -1.407 2.878 467 H ARG 58 H ARG 58 -3.124 2.888 4.882 468 HA ARG 58 HA ARG 58 -5.783 2.060 5.640 469 1HB ARG 58 2HB ARG 58 -3.891 4.204 6.365 470 2HB ARG 58 1HB ARG 58 -5.585 4.682 6.479 471 1HG ARG 58 2HG ARG 58 -4.836 2.019 7.601 472 2HG ARG 58 1HG ARG 58 -4.330 3.450 8.501 473 1HD ARG 58 2HD ARG 58 -6.570 4.219 8.743 474 2HD ARG 58 1HD ARG 58 -7.167 3.090 7.526 475 HE ARG 58 HE ARG 58 -6.033 1.514 9.563 476 1HH1 ARG 58 1HH2 ARG 58 -7.521 4.133 10.713 477 2HH1 ARG 58 2HH2 ARG 58 -8.962 3.360 11.286 478 1HH2 ARG 58 2HH1 ARG 58 -8.337 0.376 9.637 479 2HH2 ARG 58 1HH1 ARG 58 -9.424 1.236 10.678 480 H GLN 59 H GLN 59 -4.550 4.749 3.634 481 HA GLN 59 HA GLN 59 -7.103 5.878 3.023 482 1HB GLN 59 2HB GLN 59 -4.418 5.947 1.657 483 2HB GLN 59 1HB GLN 59 -5.827 6.694 0.908 484 1HG GLN 59 2HG GLN 59 -4.868 8.451 2.155 485 2HG GLN 59 1HG GLN 59 -6.173 7.868 3.189 486 1HE2 GLN 59 2HE2 GLN 59 -3.994 6.920 5.785 487 2HE2 GLN 59 1HE2 GLN 59 -5.593 7.163 5.268 488 H LEU 60 H LEU 60 -5.157 3.425 1.293 489 HA LEU 60 HA LEU 60 -6.951 3.104 -0.911 490 1HB LEU 60 2HB LEU 60 -5.105 1.050 0.339 491 2HB LEU 60 1HB LEU 60 -5.850 0.926 -1.246 492 HG LEU 60 HG LEU 60 -4.078 3.247 -0.464 493 1HD1 LEU 60 2HD1 LEU 60 -3.379 0.624 -1.809 494 2HD1 LEU 60 1HD1 LEU 60 -2.343 2.050 -1.860 495 3HD1 LEU 60 3HD1 LEU 60 -2.698 1.272 -0.317 496 1HD2 LEU 60 2HD2 LEU 60 -5.627 3.586 -2.369 497 2HD2 LEU 60 1HD2 LEU 60 -3.950 3.544 -2.912 498 3HD2 LEU 60 3HD2 LEU 60 -4.986 2.136 -3.141 499 H ASN 61 H ASN 61 -6.875 1.696 2.311 500 HA ASN 61 HA ASN 61 -8.956 -0.260 1.787 501 1HB ASN 61 2HB ASN 61 -7.430 0.701 4.148 502 2HB ASN 61 1HB ASN 61 -9.027 0.031 4.482 503 1HD2 ASN 61 2HD2 ASN 61 -8.011 -3.294 3.919 504 2HD2 ASN 61 1HD2 ASN 61 -9.233 -2.238 4.441 505 H MET 62 H MET 62 -8.939 3.133 2.589 506 HA MET 62 HA MET 62 -11.613 3.182 3.717 507 1HB MET 62 2HB MET 62 -9.713 5.311 2.736 508 2HB MET 62 1HB MET 62 -11.345 5.705 3.275 509 1HG MET 62 2HG MET 62 -10.502 4.100 5.323 510 2HG MET 62 1HG MET 62 -8.984 4.864 4.856 511 1HE MET 62 1HE MET 62 -8.199 6.318 6.079 512 2HE MET 62 3HE MET 62 -8.611 7.751 5.128 513 3HE MET 62 2HE MET 62 -8.895 7.731 6.867 514 H TYR 63 H TYR 63 -10.249 3.908 0.507 515 HA TYR 63 HA TYR 63 -12.899 4.585 -0.559 516 1HB TYR 63 2HB TYR 63 -10.300 4.122 -2.051 517 2HB TYR 63 1HB TYR 63 -11.740 4.931 -2.670 518 HD1 TYR 63 HD2 TYR 63 -12.598 6.984 -1.267 519 HD2 TYR 63 HD1 TYR 63 -8.612 5.398 -1.042 520 HE1 TYR 63 HE2 TYR 63 -11.795 9.136 -0.329 521 HE2 TYR 63 HE1 TYR 63 -7.808 7.548 -0.106 522 HH TYR 63 HH TYR 63 -9.075 9.531 1.287 523 H GLY 64 H GLY 64 -10.529 1.963 -1.094 524 1HA GLY 64 2HA GLY 64 -12.449 -0.123 -1.200 525 2HA GLY 64 1HA GLY 64 -12.133 0.406 -2.855 526 H TRP 65 H TRP 65 -10.494 -0.639 -3.846 527 HA TRP 65 HA TRP 65 -8.604 -1.999 -4.168 528 1HB TRP 65 2HB TRP 65 -7.602 -0.460 -1.744 529 2HB TRP 65 1HB TRP 65 -6.611 -1.298 -2.943 530 HD1 TRP 65 HD1 TRP 65 -8.364 1.942 -2.307 531 HE1 TRP 65 HE1 TRP 65 -8.133 3.485 -4.359 532 HE3 TRP 65 HE3 TRP 65 -6.471 -1.373 -5.696 533 HZ2 TRP 65 HZ2 TRP 65 -7.261 3.332 -7.078 534 HZ3 TRP 65 HZ3 TRP 65 -5.951 -0.652 -8.006 535 HH2 TRP 65 HH2 TRP 65 -6.342 1.696 -8.703 536 H HIS 66 H HIS 66 -9.271 -4.101 -3.715 537 HA HIS 66 HA HIS 66 -8.955 -4.982 -0.871 538 1HB HIS 66 2HB HIS 66 -10.793 -6.113 -2.997 539 2HB HIS 66 1HB HIS 66 -10.649 -6.712 -1.345 540 HD1 HIS 66 HD1 HIS 66 -12.697 -4.545 -3.293 541 HD2 HIS 66 HD2 HIS 66 -11.155 -4.348 0.575 542 HE1 HIS 66 HE1 HIS 66 -14.111 -2.856 -2.044 543 H LYS 67 H LYS 67 -6.960 -4.948 -3.122 544 HA LYS 67 HA LYS 67 -5.268 -6.348 -3.953 545 1HB LYS 67 2HB LYS 67 -6.172 -8.066 -1.623 546 2HB LYS 67 1HB LYS 67 -4.646 -8.240 -2.493 547 1HG LYS 67 2HG LYS 67 -3.928 -6.032 -1.797 548 2HG LYS 67 1HG LYS 67 -5.504 -5.699 -1.079 549 1HD LYS 67 2HD LYS 67 -5.072 -7.771 0.393 550 2HD LYS 67 1HD LYS 67 -3.395 -7.644 -0.137 551 1HE LYS 67 2HE LYS 67 -3.292 -6.311 1.748 552 2HE LYS 67 1HE LYS 67 -3.753 -5.093 0.558 553 1HZ LYS 67 1HZ LYS 67 -6.084 -5.497 1.155 554 2HZ LYS 67 3HZ LYS 67 -5.586 -6.583 2.358 555 3HZ LYS 67 2HZ LYS 67 -5.173 -4.940 2.475 556 H VAL 68 H VAL 68 -4.850 -8.619 -4.852 557 HA VAL 68 HA VAL 68 -7.325 -9.551 -6.197 558 HB VAL 68 HB VAL 68 -5.356 -8.974 -7.590 559 1HG1 VAL 68 3HG1 VAL 68 -3.871 -10.152 -5.605 560 2HG1 VAL 68 2HG1 VAL 68 -3.857 -11.405 -6.844 561 3HG1 VAL 68 1HG1 VAL 68 -3.266 -9.787 -7.221 562 1HG2 VAL 68 3HG2 VAL 68 -7.029 -11.099 -7.889 563 2HG2 VAL 68 2HG2 VAL 68 -5.816 -10.637 -9.082 564 3HG2 VAL 68 1HG2 VAL 68 -5.466 -11.916 -7.921 565 H GLN 69 H GLN 69 -7.868 -11.826 -6.248 566 HA GLN 69 HA GLN 69 -7.150 -13.204 -3.743 567 1HB GLN 69 2HB GLN 69 -9.476 -13.039 -5.248 568 2HB GLN 69 1HB GLN 69 -8.884 -14.657 -5.620 569 1HG GLN 69 2HG GLN 69 -8.976 -15.345 -3.375 570 2HG GLN 69 1HG GLN 69 -8.974 -13.689 -2.769 571 1HE2 GLN 69 2HE2 GLN 69 -12.481 -15.091 -2.639 572 2HE2 GLN 69 1HE2 GLN 69 -10.995 -15.633 -2.026 573 H ASP 70 H ASP 70 -6.461 -13.442 -7.166 574 HA ASP 70 HA ASP 70 -4.907 -14.776 -8.311 575 1HB ASP 70 2HB ASP 70 -3.733 -14.478 -5.891 576 2HB ASP 70 1HB ASP 70 -4.006 -16.221 -5.871 577 H VAL 71 H VAL 71 -4.329 -17.269 -8.501 578 HA VAL 71 HA VAL 71 -6.835 -18.666 -8.791 579 HB VAL 71 HB VAL 71 -4.012 -19.778 -8.879 580 1HG1 VAL 71 2HG1 VAL 71 -6.113 -21.328 -8.735 581 2HG1 VAL 71 1HG1 VAL 71 -6.399 -20.812 -10.397 582 3HG1 VAL 71 3HG1 VAL 71 -4.906 -21.649 -9.979 583 1HG2 VAL 71 3HG2 VAL 71 -4.949 -17.770 -10.455 584 2HG2 VAL 71 2HG2 VAL 71 -3.795 -18.978 -11.014 585 3HG2 VAL 71 1HG2 VAL 71 -5.513 -19.168 -11.369 586 H LYS 72 H LYS 72 -3.982 -19.673 -6.873 587 HA LYS 72 HA LYS 72 -5.468 -20.045 -4.435 588 1HB LYS 72 2HB LYS 72 -5.468 -22.233 -6.398 589 2HB LYS 72 1HB LYS 72 -4.869 -22.728 -4.817 590 1HG LYS 72 2HG LYS 72 -7.204 -21.041 -4.498 591 2HG LYS 72 1HG LYS 72 -7.571 -22.374 -5.592 592 1HD LYS 72 2HD LYS 72 -6.017 -23.118 -3.184 593 2HD LYS 72 1HD LYS 72 -7.664 -22.574 -2.873 594 1HE LYS 72 2HE LYS 72 -7.975 -24.256 -5.054 595 2HE LYS 72 1HE LYS 72 -6.727 -25.064 -4.106 596 1HZ LYS 72 2HZ LYS 72 -9.161 -24.015 -2.811 597 2HZ LYS 72 1HZ LYS 72 -9.172 -25.537 -3.564 598 3HZ LYS 72 3HZ LYS 72 -8.109 -25.238 -2.276 599 H SER 73 H SER 73 -2.974 -22.096 -5.958 600 HA SER 73 HA SER 73 -1.219 -21.764 -3.650 601 1HB SER 73 2HB SER 73 0.387 -23.034 -5.296 602 2HB SER 73 1HB SER 73 -1.000 -23.882 -4.617 603 HG SER 73 HG SER 73 -1.768 -24.052 -6.559 604 H GLY 74 H GLY 74 -0.835 -21.003 -7.134 605 1HA GLY 74 2HA GLY 74 -0.052 -18.852 -7.941 606 2HA GLY 74 1HA GLY 74 0.654 -18.547 -6.353 607 H SER 75 H SER 75 1.816 -21.268 -6.226 608 HA SER 75 HA SER 75 3.656 -22.525 -6.957 609 1HB SER 75 2HB SER 75 2.872 -21.781 -9.345 610 2HB SER 75 1HB SER 75 4.198 -20.627 -9.227 611 HG SER 75 HG SER 75 4.809 -22.663 -10.150 612 H MET 76 H MET 76 4.487 -19.171 -7.904 613 HA MET 76 HA MET 76 6.149 -18.827 -5.532 614 1HB MET 76 2HB MET 76 8.273 -18.556 -6.837 615 2HB MET 76 1HB MET 76 7.673 -20.214 -6.818 616 1HG MET 76 2HG MET 76 6.999 -20.141 -9.042 617 2HG MET 76 1HG MET 76 6.812 -18.387 -9.032 618 1HE MET 76 3HE MET 76 8.760 -21.356 -8.897 619 2HE MET 76 2HE MET 76 10.071 -21.108 -10.048 620 3HE MET 76 1HE MET 76 10.343 -20.803 -8.334 621 H LEU 77 H LEU 77 3.975 -17.442 -7.081 622 HA LEU 77 HA LEU 77 5.333 -14.995 -8.036 623 1HB LEU 77 2HB LEU 77 3.041 -16.254 -8.860 624 2HB LEU 77 1HB LEU 77 2.384 -14.986 -7.824 625 HG LEU 77 HG LEU 77 3.961 -13.384 -9.090 626 1HD1 LEU 77 1HD1 LEU 77 4.231 -15.927 -10.643 627 2HD1 LEU 77 3HD1 LEU 77 4.181 -14.411 -11.542 628 3HD1 LEU 77 2HD1 LEU 77 5.431 -14.674 -10.326 629 1HD2 LEU 77 3HD2 LEU 77 1.395 -13.794 -9.390 630 2HD2 LEU 77 2HD2 LEU 77 2.262 -12.900 -10.639 631 3HD2 LEU 77 1HD2 LEU 77 1.870 -14.602 -10.884 632 H SER 78 H SER 78 5.028 -15.989 -5.066 633 HA SER 78 HA SER 78 4.680 -13.318 -3.950 634 1HB SER 78 2HB SER 78 2.337 -14.607 -4.213 635 2HB SER 78 1HB SER 78 2.872 -15.345 -2.707 636 HG SER 78 HG SER 78 1.655 -13.171 -2.786 637 H ASN 79 H ASN 79 6.644 -13.468 -2.902 638 HA ASN 79 HA ASN 79 7.751 -15.820 -1.742 639 1HB ASN 79 2HB ASN 79 8.279 -12.896 -1.570 640 2HB ASN 79 1HB ASN 79 8.928 -13.890 -0.265 641 1HD2 ASN 79 2HD2 ASN 79 11.541 -15.155 -2.251 642 2HD2 ASN 79 1HD2 ASN 79 10.887 -14.931 -0.700 643 H ASN 80 H ASN 80 6.728 -13.019 0.223 644 HA ASN 80 HA ASN 80 5.094 -14.783 1.940 645 1HB ASN 80 2HB ASN 80 7.702 -13.544 2.760 646 2HB ASN 80 1HB ASN 80 6.411 -13.695 3.953 647 1HD2 ASN 80 2HD2 ASN 80 6.392 -17.375 3.549 648 2HD2 ASN 80 1HD2 ASN 80 5.257 -16.114 3.482 649 H ASP 81 H ASP 81 6.635 -11.575 2.331 650 HA ASP 81 HA ASP 81 3.928 -10.333 2.207 651 1HB ASP 81 2HB ASP 81 4.888 -10.822 4.618 652 2HB ASP 81 1HB ASP 81 5.879 -9.400 4.289 653 H SER 82 H SER 82 6.304 -10.417 0.385 654 HA SER 82 HA SER 82 7.001 -7.506 0.398 655 1HB SER 82 2HB SER 82 8.893 -9.185 0.574 656 2HB SER 82 1HB SER 82 8.472 -9.721 -1.050 657 HG SER 82 HG SER 82 9.570 -8.081 -1.738 658 H ARG 83 H ARG 83 4.636 -9.134 -0.867 659 HA ARG 83 HA ARG 83 4.891 -7.843 -3.544 660 1HB ARG 83 2HB ARG 83 5.216 -10.408 -3.557 661 2HB ARG 83 1HB ARG 83 3.499 -10.499 -3.166 662 1HG ARG 83 2HG ARG 83 4.053 -8.641 -5.370 663 2HG ARG 83 1HG ARG 83 4.571 -10.287 -5.726 664 1HD ARG 83 2HD ARG 83 2.373 -11.162 -5.313 665 2HD ARG 83 1HD ARG 83 1.827 -9.631 -4.629 666 HE ARG 83 HE ARG 83 1.766 -8.700 -6.865 667 1HH1 ARG 83 1HH2 ARG 83 4.018 -10.198 -8.118 668 2HH1 ARG 83 2HH2 ARG 83 3.193 -11.306 -9.161 669 1HH2 ARG 83 2HH1 ARG 83 0.126 -10.916 -7.594 670 2HH2 ARG 83 1HH1 ARG 83 0.992 -11.713 -8.865 671 H TRP 84 H TRP 84 3.545 -6.137 -2.916 672 HA TRP 84 HA TRP 84 0.894 -6.776 -1.765 673 1HB TRP 84 2HB TRP 84 2.314 -4.156 -2.298 674 2HB TRP 84 1HB TRP 84 0.699 -4.278 -1.600 675 HD1 TRP 84 HD1 TRP 84 4.176 -5.848 -0.896 676 HE1 TRP 84 HE1 TRP 84 4.503 -5.942 1.661 677 HE3 TRP 84 HE3 TRP 84 -0.284 -3.898 0.632 678 HZ2 TRP 84 HZ2 TRP 84 3.053 -5.281 4.043 679 HZ3 TRP 84 HZ3 TRP 84 -0.790 -3.645 3.044 680 HH2 TRP 84 HH2 TRP 84 0.871 -4.334 4.750 681 H GLU 85 H GLU 85 -0.891 -6.901 -3.015 682 HA GLU 85 HA GLU 85 -0.732 -5.860 -5.812 683 1HB GLU 85 2HB GLU 85 -2.155 -8.173 -4.530 684 2HB GLU 85 1HB GLU 85 -2.868 -7.429 -5.963 685 1HG GLU 85 2HG GLU 85 0.049 -8.015 -6.071 686 2HG GLU 85 1HG GLU 85 -1.042 -9.400 -6.128 687 H PHE 86 H PHE 86 -2.737 -4.806 -6.637 688 HA PHE 86 HA PHE 86 -4.648 -3.873 -4.568 689 1HB PHE 86 2HB PHE 86 -2.973 -1.985 -6.247 690 2HB PHE 86 1HB PHE 86 -4.298 -1.502 -5.190 691 HD1 PHE 86 HD2 PHE 86 -0.864 -2.864 -5.311 692 HD2 PHE 86 HD1 PHE 86 -4.055 -1.501 -2.788 693 HE1 PHE 86 HE2 PHE 86 0.694 -2.794 -3.381 694 HE2 PHE 86 HE1 PHE 86 -2.501 -1.428 -0.856 695 HZ PHE 86 HZ PHE 86 -0.125 -2.076 -1.154 696 H GLU 87 H GLU 87 -6.403 -4.785 -5.694 697 HA GLU 87 HA GLU 87 -6.815 -3.766 -8.476 698 1HB GLU 87 2HB GLU 87 -8.189 -5.713 -8.922 699 2HB GLU 87 1HB GLU 87 -6.656 -6.267 -8.254 700 1HG GLU 87 2HG GLU 87 -7.687 -6.518 -6.040 701 2HG GLU 87 1HG GLU 87 -9.211 -5.896 -6.658 702 H ASN 88 H ASN 88 -8.855 -2.870 -8.992 703 HA ASN 88 HA ASN 88 -10.472 -2.072 -6.613 704 1HB ASN 88 2HB ASN 88 -9.460 -0.254 -8.015 705 2HB ASN 88 1HB ASN 88 -10.431 -0.822 -9.374 706 1HD2 ASN 88 2HD2 ASN 88 -13.029 1.301 -8.315 707 2HD2 ASN 88 1HD2 ASN 88 -12.018 0.794 -9.579 708 H GLU 89 H GLU 89 -11.622 -4.144 -6.656 709 HA GLU 89 HA GLU 89 -13.465 -5.480 -7.212 710 1HB GLU 89 2HB GLU 89 -14.549 -3.166 -7.155 711 2HB GLU 89 1HB GLU 89 -14.393 -3.158 -8.912 712 1HG GLU 89 2HG GLU 89 -15.637 -5.337 -8.973 713 2HG GLU 89 1HG GLU 89 -15.914 -5.176 -7.238 714 H ARG 90 H ARG 90 -12.692 -7.124 -8.492 715 HA ARG 90 HA ARG 90 -11.645 -6.789 -11.140 716 1HB ARG 90 2HB ARG 90 -11.550 -8.821 -9.411 717 2HB ARG 90 1HB ARG 90 -12.932 -9.372 -10.360 718 1HG ARG 90 2HG ARG 90 -11.305 -8.661 -12.378 719 2HG ARG 90 1HG ARG 90 -10.083 -9.059 -11.167 720 1HD ARG 90 2HD ARG 90 -11.275 -11.250 -10.801 721 2HD ARG 90 1HD ARG 90 -12.302 -10.856 -12.178 722 HE ARG 90 HE ARG 90 -9.334 -11.044 -12.467 723 1HH1 ARG 90 2HH1 ARG 90 -10.561 -10.258 -14.924 724 2HH1 ARG 90 1HH1 ARG 90 -10.990 -11.747 -15.699 725 1HH2 ARG 90 1HH2 ARG 90 -10.759 -13.630 -12.795 726 2HH2 ARG 90 2HH2 ARG 90 -11.104 -13.658 -14.492 727 H HIS 91 H HIS 91 -14.716 -8.397 -10.204 728 HA HIS 91 HA HIS 91 -16.020 -7.079 -12.531 729 1HB HIS 91 2HB HIS 91 -15.138 -9.597 -12.846 730 2HB HIS 91 1HB HIS 91 -16.678 -9.950 -12.063 731 HD1 HIS 91 HD1 HIS 91 -18.810 -9.549 -13.396 732 HD2 HIS 91 HD2 HIS 91 -15.400 -8.204 -15.381 733 HE1 HIS 91 HE1 HIS 91 -19.537 -8.959 -15.748 734 H ALA 92 HN ALA 92 -18.319 -6.896 -12.293 735 HA ALA 92 HA ALA 92 -19.668 -7.970 -9.941 736 1HB ALA 92 2HB ALA 92 -18.400 -6.073 -8.954 737 2HB ALA 92 1HB ALA 92 -19.170 -4.981 -10.104 738 3HB ALA 92 3HB ALA 92 -20.142 -5.804 -8.886 No H/Q in entry = 738 Start of MODEL 20 Raw file had 756 H/Q atoms Start of MODEL 20 1 1H ALA 1 3H ALA 1 -12.465 17.663 -6.162 2 2H ALA 1 2H ALA 1 -13.748 18.763 -6.330 3 3H ALA 1 1H ALA 1 -13.331 18.166 -4.794 4 HA ALA 1 HA ALA 1 -15.211 16.942 -5.349 5 1HB ALA 1 2HB ALA 1 -14.007 17.087 -8.087 6 2HB ALA 1 1HB ALA 1 -15.063 15.726 -7.708 7 3HB ALA 1 3HB ALA 1 -15.670 17.377 -7.580 8 H ARG 2 H ARG 2 -12.178 15.821 -6.910 9 HA ARG 2 HA ARG 2 -12.518 13.150 -5.740 10 1HB ARG 2 2HB ARG 2 -10.409 14.433 -7.484 11 2HB ARG 2 1HB ARG 2 -10.183 12.828 -6.789 12 1HG ARG 2 2HG ARG 2 -12.723 13.467 -8.263 13 2HG ARG 2 1HG ARG 2 -11.268 13.050 -9.167 14 1HD ARG 2 2HD ARG 2 -11.491 10.862 -8.660 15 2HD ARG 2 1HD ARG 2 -11.684 11.214 -6.942 16 HE ARG 2 HE ARG 2 -14.136 11.894 -7.902 17 1HH1 ARG 2 1HH2 ARG 2 -14.661 10.483 -10.105 18 2HH1 ARG 2 2HH2 ARG 2 -14.823 8.813 -9.675 19 1HH2 ARG 2 2HH1 ARG 2 -13.230 9.174 -6.614 20 2HH2 ARG 2 1HH1 ARG 2 -14.014 8.072 -7.696 21 HA PRO 3 HA PRO 3 -9.885 14.059 -2.358 22 1HB PRO 3 2HB PRO 3 -8.903 11.593 -1.671 23 2HB PRO 3 1HB PRO 3 -10.581 12.091 -1.391 24 1HG PRO 3 2HG PRO 3 -9.492 10.233 -3.436 25 2HG PRO 3 1HG PRO 3 -11.111 10.291 -2.721 26 1HD PRO 3 2HD PRO 3 -10.385 11.264 -5.277 27 2HD PRO 3 1HD PRO 3 -11.907 11.587 -4.423 28 H ALA 4 H ALA 4 -7.679 14.258 -1.609 29 HA ALA 4 HA ALA 4 -5.731 14.607 -3.679 30 1HB ALA 4 2HB ALA 4 -5.886 15.733 -1.351 31 2HB ALA 4 1HB ALA 4 -5.039 14.304 -0.761 32 3HB ALA 4 3HB ALA 4 -4.282 15.342 -1.970 33 H PHE 5 H PHE 5 -6.621 11.800 -1.839 34 HA PHE 5 HA PHE 5 -4.044 10.455 -2.102 35 1HB PHE 5 2HB PHE 5 -5.761 9.951 -0.309 36 2HB PHE 5 1HB PHE 5 -6.742 9.194 -1.566 37 HD1 PHE 5 HD2 PHE 5 -3.218 9.164 -0.273 38 HD2 PHE 5 HD1 PHE 5 -6.456 6.919 -1.980 39 HE1 PHE 5 HE2 PHE 5 -1.876 7.088 -0.087 40 HE2 PHE 5 HE1 PHE 5 -5.116 4.842 -1.792 41 HZ PHE 5 HZ PHE 5 -2.825 4.926 -0.847 42 H VAL 6 H VAL 6 -7.247 10.036 -3.652 43 HA VAL 6 HA VAL 6 -6.345 8.088 -5.551 44 HB VAL 6 HB VAL 6 -8.666 10.038 -5.759 45 1HG1 VAL 6 2HG1 VAL 6 -7.647 7.901 -7.501 46 2HG1 VAL 6 1HG1 VAL 6 -9.347 7.706 -7.085 47 3HG1 VAL 6 3HG1 VAL 6 -8.793 9.189 -7.863 48 1HG2 VAL 6 1HG2 VAL 6 -8.416 8.331 -3.761 49 2HG2 VAL 6 3HG2 VAL 6 -9.962 8.482 -4.596 50 3HG2 VAL 6 2HG2 VAL 6 -8.880 7.143 -4.978 51 H ASN 7 H ASN 7 -6.045 11.563 -5.424 52 HA ASN 7 HA ASN 7 -5.517 11.884 -8.284 53 1HB ASN 7 2HB ASN 7 -5.288 13.666 -5.860 54 2HB ASN 7 1HB ASN 7 -4.624 14.167 -7.416 55 1HD2 ASN 7 2HD2 ASN 7 -7.854 14.487 -8.968 56 2HD2 ASN 7 1HD2 ASN 7 -6.228 14.140 -9.303 57 H LYS 8 H LYS 8 -3.516 11.711 -5.316 58 HA LYS 8 HA LYS 8 -1.040 12.092 -6.765 59 1HB LYS 8 2HB LYS 8 0.082 11.553 -4.705 60 2HB LYS 8 1HB LYS 8 -1.320 12.533 -4.300 61 1HG LYS 8 2HG LYS 8 -2.582 10.504 -3.701 62 2HG LYS 8 1HG LYS 8 -1.197 9.502 -4.132 63 1HD LYS 8 2HD LYS 8 -1.107 11.666 -2.007 64 2HD LYS 8 1HD LYS 8 -1.426 9.969 -1.654 65 1HE LYS 8 2HE LYS 8 1.025 10.763 -3.220 66 2HE LYS 8 1HE LYS 8 1.024 10.835 -1.462 67 1HZ LYS 8 1HZ LYS 8 0.050 8.443 -1.719 68 2HZ LYS 8 3HZ LYS 8 0.818 8.506 -3.230 69 3HZ LYS 8 2HZ LYS 8 1.725 8.710 -1.808 70 H LEU 9 H LEU 9 -3.102 9.351 -6.263 71 HA LEU 9 HA LEU 9 -1.121 7.285 -6.593 72 1HB LEU 9 2HB LEU 9 -3.520 7.015 -5.729 73 2HB LEU 9 1HB LEU 9 -4.024 7.085 -7.419 74 HG LEU 9 HG LEU 9 -2.278 5.236 -7.830 75 1HD1 LEU 9 1HD1 LEU 9 -2.467 5.265 -4.815 76 2HD1 LEU 9 3HD1 LEU 9 -1.982 3.822 -5.705 77 3HD1 LEU 9 2HD1 LEU 9 -1.017 5.293 -5.815 78 1HD2 LEU 9 3HD2 LEU 9 -4.924 5.018 -6.469 79 2HD2 LEU 9 2HD2 LEU 9 -4.415 4.400 -8.041 80 3HD2 LEU 9 1HD2 LEU 9 -3.952 3.550 -6.567 81 H TRP 10 H TRP 10 -2.885 9.343 -8.819 82 HA TRP 10 HA TRP 10 -2.228 7.745 -11.174 83 1HB TRP 10 2HB TRP 10 -3.112 10.637 -11.115 84 2HB TRP 10 1HB TRP 10 -3.275 9.494 -12.444 85 HD1 TRP 10 HD1 TRP 10 -5.576 11.120 -10.635 86 HE1 TRP 10 HE1 TRP 10 -7.562 9.716 -9.793 87 HE3 TRP 10 HE3 TRP 10 -3.586 6.412 -11.011 88 HZ2 TRP 10 HZ2 TRP 10 -8.227 6.983 -9.341 89 HZ3 TRP 10 HZ3 TRP 10 -4.924 4.439 -10.359 90 HH2 TRP 10 HH2 TRP 10 -7.241 4.716 -9.525 91 H SER 11 H SER 11 -0.451 9.923 -9.236 92 HA SER 11 HA SER 11 1.293 10.723 -11.507 93 1HB SER 11 2HB SER 11 0.960 11.693 -8.677 94 2HB SER 11 1HB SER 11 2.418 12.074 -9.588 95 HG SER 11 HG SER 11 1.230 13.189 -11.037 96 H MET 12 H MET 12 1.276 8.780 -8.563 97 HA MET 12 HA MET 12 4.169 8.251 -8.746 98 1HB MET 12 2HB MET 12 3.748 6.739 -6.808 99 2HB MET 12 1HB MET 12 3.184 8.381 -6.528 100 1HG MET 12 2HG MET 12 1.128 7.583 -6.086 101 2HG MET 12 1HG MET 12 1.019 6.992 -7.738 102 1HE MET 12 1HE MET 12 1.317 6.441 -4.172 103 2HE MET 12 3HE MET 12 1.814 4.768 -3.880 104 3HE MET 12 2HE MET 12 3.003 5.972 -4.371 105 H VAL 13 H VAL 13 1.150 6.663 -9.647 106 HA VAL 13 HA VAL 13 2.598 4.184 -10.355 107 HB VAL 13 HB VAL 13 -0.318 4.678 -10.943 108 1HG1 VAL 13 1HG1 VAL 13 1.229 2.608 -11.563 109 2HG1 VAL 13 3HG1 VAL 13 0.877 2.146 -9.897 110 3HG1 VAL 13 2HG1 VAL 13 -0.440 2.374 -11.048 111 1HG2 VAL 13 2HG2 VAL 13 0.281 5.275 -8.500 112 2HG2 VAL 13 1HG2 VAL 13 -0.957 4.049 -8.736 113 3HG2 VAL 13 3HG2 VAL 13 0.683 3.574 -8.307 114 H ASN 14 H ASN 14 2.168 7.119 -11.863 115 HA ASN 14 HA ASN 14 1.284 6.471 -14.472 116 1HB ASN 14 2HB ASN 14 1.944 8.774 -13.351 117 2HB ASN 14 1HB ASN 14 3.505 8.445 -14.104 118 1HD2 ASN 14 2HD2 ASN 14 0.253 9.217 -16.485 119 2HD2 ASN 14 1HD2 ASN 14 0.017 8.801 -14.857 120 H ASP 15 H ASP 15 4.231 5.594 -12.879 121 HA ASP 15 HA ASP 15 5.959 4.194 -13.596 122 1HB ASP 15 2HB ASP 15 4.077 3.176 -15.052 123 2HB ASP 15 1HB ASP 15 4.776 4.121 -16.367 124 H LYS 16 H LYS 16 5.464 7.292 -14.568 125 HA LYS 16 HA LYS 16 7.673 7.405 -16.528 126 1HB LYS 16 2HB LYS 16 5.684 8.886 -16.794 127 2HB LYS 16 1HB LYS 16 6.073 9.651 -15.253 128 1HG LYS 16 2HG LYS 16 8.077 10.591 -16.095 129 2HG LYS 16 1HG LYS 16 8.092 9.516 -17.494 130 1HD LYS 16 2HD LYS 16 5.963 10.620 -18.268 131 2HD LYS 16 1HD LYS 16 6.159 11.787 -16.960 132 1HE LYS 16 2HE LYS 16 7.208 12.903 -18.715 133 2HE LYS 16 1HE LYS 16 8.577 12.070 -17.976 134 1HZ LYS 16 1HZ LYS 16 8.285 10.274 -19.576 135 2HZ LYS 16 3HZ LYS 16 6.997 11.107 -20.300 136 3HZ LYS 16 2HZ LYS 16 8.567 11.754 -20.360 137 H SER 17 H SER 17 6.989 9.238 -13.530 138 HA SER 17 HA SER 17 9.833 9.622 -13.019 139 1HB SER 17 2HB SER 17 7.785 10.020 -10.876 140 2HB SER 17 1HB SER 17 9.168 11.025 -11.303 141 HG SER 17 HG SER 17 7.864 12.137 -12.503 142 H ASN 18 H ASN 18 7.433 7.237 -12.189 143 HA ASN 18 HA ASN 18 9.376 5.959 -10.307 144 1HB ASN 18 2HB ASN 18 6.462 5.231 -10.268 145 2HB ASN 18 1HB ASN 18 7.632 5.202 -8.955 146 1HD2 ASN 18 2HD2 ASN 18 6.475 8.298 -7.749 147 2HD2 ASN 18 1HD2 ASN 18 7.106 6.762 -7.413 148 H GLU 19 H GLU 19 9.619 5.592 -13.064 149 HA GLU 19 HA GLU 19 8.150 3.439 -14.181 150 1HB GLU 19 2HB GLU 19 9.670 4.953 -15.448 151 2HB GLU 19 1HB GLU 19 11.048 4.140 -14.712 152 1HG GLU 19 2HG GLU 19 10.576 2.094 -15.804 153 2HG GLU 19 1HG GLU 19 8.931 2.593 -16.205 154 H LYS 20 H LYS 20 11.274 3.335 -12.409 155 HA LYS 20 HA LYS 20 11.123 0.375 -12.410 156 1HB LYS 20 2HB LYS 20 13.247 2.099 -12.651 157 2HB LYS 20 1HB LYS 20 13.338 1.666 -10.945 158 1HG LYS 20 2HG LYS 20 14.613 -0.013 -11.998 159 2HG LYS 20 1HG LYS 20 13.040 -0.779 -11.776 160 1HD LYS 20 2HD LYS 20 13.424 -1.259 -14.014 161 2HD LYS 20 1HD LYS 20 12.556 0.269 -14.159 162 1HE LYS 20 2HE LYS 20 14.704 1.482 -14.277 163 2HE LYS 20 1HE LYS 20 15.574 -0.045 -14.140 164 1HZ LYS 20 1HZ LYS 20 13.845 -0.491 -16.192 165 2HZ LYS 20 3HZ LYS 20 14.288 1.130 -16.424 166 3HZ LYS 20 2HZ LYS 20 15.483 -0.072 -16.353 167 H PHE 21 H PHE 21 9.291 2.120 -10.753 168 HA PHE 21 HA PHE 21 9.921 0.832 -8.136 169 1HB PHE 21 2HB PHE 21 8.898 3.660 -8.509 170 2HB PHE 21 1HB PHE 21 9.175 2.855 -6.963 171 HD1 PHE 21 HD1 PHE 21 11.497 2.120 -6.342 172 HD2 PHE 21 HD2 PHE 21 10.708 4.611 -9.748 173 HE1 PHE 21 HE1 PHE 21 13.887 2.777 -6.416 174 HE2 PHE 21 HE2 PHE 21 13.097 5.271 -9.822 175 HZ PHE 21 HZ PHE 21 14.688 4.353 -8.154 176 H ILE 22 H ILE 22 7.687 1.034 -10.609 177 HA ILE 22 HA ILE 22 5.669 -0.402 -9.207 178 HB ILE 22 HB ILE 22 5.249 1.754 -8.078 179 1HG1 ILE 22 2HG1 ILE 22 3.046 1.350 -10.107 180 2HG1 ILE 22 1HG1 ILE 22 3.350 0.182 -8.820 181 1HG2 ILE 22 3HG2 ILE 22 6.098 3.008 -10.240 182 2HG2 ILE 22 2HG2 ILE 22 4.389 2.983 -10.671 183 3HG2 ILE 22 1HG2 ILE 22 4.912 3.766 -9.179 184 1HD1 ILE 22 1HD1 ILE 22 3.187 2.114 -7.180 185 2HD1 ILE 22 3HD1 ILE 22 2.604 3.100 -8.522 186 3HD1 ILE 22 2HD1 ILE 22 1.679 1.695 -7.993 187 H HIS 23 H HIS 23 3.989 -1.070 -10.667 188 HA HIS 23 HA HIS 23 4.003 0.044 -13.405 189 1HB HIS 23 2HB HIS 23 5.746 -1.896 -13.097 190 2HB HIS 23 1HB HIS 23 4.316 -2.929 -13.118 191 HD1 HIS 23 HD1 HIS 23 3.407 -3.518 -15.374 192 HD2 HIS 23 HD2 HIS 23 5.884 -0.171 -15.534 193 HE1 HIS 23 HE1 HIS 23 3.640 -2.918 -17.822 194 H TRP 24 H TRP 24 2.171 -0.746 -14.675 195 HA TRP 24 HA TRP 24 -0.172 -1.313 -12.986 196 1HB TRP 24 2HB TRP 24 0.244 -0.600 -15.884 197 2HB TRP 24 1HB TRP 24 -1.312 -1.212 -15.329 198 HD1 TRP 24 HD1 TRP 24 1.089 1.248 -13.550 199 HE1 TRP 24 HE1 TRP 24 -0.230 3.403 -13.024 200 HE3 TRP 24 HE3 TRP 24 -3.376 0.113 -15.751 201 HZ2 TRP 24 HZ2 TRP 24 -2.833 4.499 -13.479 202 HZ3 TRP 24 HZ3 TRP 24 -5.255 1.728 -15.691 203 HH2 TRP 24 HH2 TRP 24 -4.989 3.917 -14.559 204 H SER 25 H SER 25 -1.680 -3.083 -13.619 205 HA SER 25 HA SER 25 -0.179 -5.554 -14.166 206 1HB SER 25 2HB SER 25 -2.137 -6.707 -13.434 207 2HB SER 25 1HB SER 25 -1.973 -5.312 -12.370 208 HG SER 25 HG SER 25 -3.727 -5.708 -14.551 209 H THR 26 H THR 26 -2.057 -3.306 -15.979 210 HA THR 26 HA THR 26 -2.722 -3.308 -18.220 211 HB THR 26 HB THR 26 -1.264 -5.939 -18.506 212 HG1 THR 26 HG1 THR 26 0.527 -4.922 -18.187 213 1HG2 THR 26 3HG2 THR 26 -2.615 -5.126 -20.418 214 2HG2 THR 26 2HG2 THR 26 -1.713 -3.611 -20.393 215 3HG2 THR 26 1HG2 THR 26 -0.890 -5.120 -20.787 216 H SER 27 H SER 27 -4.509 -4.077 -19.363 217 HA SER 27 HA SER 27 -6.517 -5.252 -19.676 218 1HB SER 27 2HB SER 27 -4.902 -7.080 -20.243 219 2HB SER 27 1HB SER 27 -4.936 -7.586 -18.557 220 HG SER 27 HG SER 27 -6.530 -8.766 -19.358 221 H GLY 28 H GLY 28 -5.928 -3.931 -17.089 222 1HA GLY 28 2HA GLY 28 -8.220 -4.518 -15.614 223 2HA GLY 28 1HA GLY 28 -6.968 -5.566 -14.941 224 H GLU 29 H GLU 29 -8.257 -3.320 -13.585 225 HA GLU 29 HA GLU 29 -6.163 -1.232 -13.505 226 1HB GLU 29 2HB GLU 29 -8.747 -0.857 -13.369 227 2HB GLU 29 1HB GLU 29 -8.552 -1.320 -11.679 228 1HG GLU 29 2HG GLU 29 -7.409 0.589 -11.144 229 2HG GLU 29 1HG GLU 29 -6.597 0.663 -12.709 230 H SER 30 H SER 30 -4.665 -3.059 -12.710 231 HA SER 30 HA SER 30 -4.828 -3.184 -9.724 232 1HB SER 30 2HB SER 30 -4.315 -5.326 -11.729 233 2HB SER 30 1HB SER 30 -3.355 -5.369 -10.254 234 HG SER 30 HG SER 30 -6.128 -5.595 -10.617 235 H ILE 31 H ILE 31 -2.662 -3.414 -8.691 236 HA ILE 31 HA ILE 31 -0.486 -2.171 -10.333 237 HB ILE 31 HB ILE 31 -1.082 -1.648 -7.403 238 1HG1 ILE 31 2HG1 ILE 31 -1.490 0.212 -9.761 239 2HG1 ILE 31 1HG1 ILE 31 -2.789 -0.741 -9.045 240 1HG2 ILE 31 1HG2 ILE 31 1.311 -1.444 -8.204 241 2HG2 ILE 31 3HG2 ILE 31 0.764 -0.174 -9.297 242 3HG2 ILE 31 2HG2 ILE 31 0.623 0.042 -7.554 243 1HD1 ILE 31 2HD1 ILE 31 -1.119 0.857 -7.171 244 2HD1 ILE 31 1HD1 ILE 31 -2.215 1.757 -8.219 245 3HD1 ILE 31 3HD1 ILE 31 -2.850 0.524 -7.129 246 H VAL 32 H VAL 32 1.671 -2.849 -9.737 247 HA VAL 32 HA VAL 32 1.765 -5.220 -7.916 248 HB VAL 32 HB VAL 32 3.289 -4.966 -10.527 249 1HG1 VAL 32 1HG1 VAL 32 2.928 -7.193 -8.501 250 2HG1 VAL 32 3HG1 VAL 32 3.649 -7.426 -10.095 251 3HG1 VAL 32 2HG1 VAL 32 4.431 -6.369 -8.919 252 1HG2 VAL 32 1HG2 VAL 32 0.610 -6.095 -9.845 253 2HG2 VAL 32 3HG2 VAL 32 1.170 -5.370 -11.352 254 3HG2 VAL 32 2HG2 VAL 32 1.620 -7.027 -10.949 255 H VAL 33 H VAL 33 3.268 -4.969 -6.353 256 HA VAL 33 HA VAL 33 5.383 -2.895 -6.748 257 HB VAL 33 HB VAL 33 4.230 -4.048 -4.183 258 1HG1 VAL 33 1HG1 VAL 33 6.457 -2.101 -4.756 259 2HG1 VAL 33 3HG1 VAL 33 5.522 -1.959 -3.269 260 3HG1 VAL 33 2HG1 VAL 33 6.426 -3.435 -3.605 261 1HG2 VAL 33 3HG2 VAL 33 2.770 -2.482 -5.559 262 2HG2 VAL 33 2HG2 VAL 33 3.127 -1.930 -3.922 263 3HG2 VAL 33 1HG2 VAL 33 3.996 -1.241 -5.293 264 HA PRO 34 HA PRO 34 7.624 -6.868 -6.772 265 1HB PRO 34 2HB PRO 34 9.735 -5.989 -8.292 266 2HB PRO 34 1HB PRO 34 8.247 -6.660 -8.983 267 1HG PRO 34 2HG PRO 34 9.152 -3.825 -8.869 268 2HG PRO 34 1HG PRO 34 8.075 -4.616 -10.032 269 1HD PRO 34 2HD PRO 34 7.267 -2.964 -7.894 270 2HD PRO 34 1HD PRO 34 6.216 -4.028 -8.848 271 H ASN 35 H ASN 35 8.590 -3.553 -6.119 272 HA ASN 35 HA ASN 35 10.498 -4.568 -4.056 273 1HB ASN 35 2HB ASN 35 10.934 -2.617 -6.252 274 2HB ASN 35 1HB ASN 35 11.569 -2.148 -4.675 275 1HD2 ASN 35 2HD2 ASN 35 13.096 -5.537 -6.451 276 2HD2 ASN 35 1HD2 ASN 35 11.509 -5.061 -6.819 277 H ARG 36 H ARG 36 8.924 -4.249 -2.397 278 HA ARG 36 HA ARG 36 7.623 -1.635 -2.125 279 1HB ARG 36 2HB ARG 36 6.290 -2.621 -0.500 280 2HB ARG 36 1HB ARG 36 6.753 -4.049 -1.413 281 1HG ARG 36 2HG ARG 36 8.540 -4.521 0.223 282 2HG ARG 36 1HG ARG 36 8.099 -3.081 1.132 283 1HD ARG 36 2HD ARG 36 5.681 -4.416 0.858 284 2HD ARG 36 1HD ARG 36 6.839 -5.720 1.120 285 HE ARG 36 HE ARG 36 6.795 -3.387 2.976 286 1HH1 ARG 36 1HH2 ARG 36 8.544 -5.862 3.321 287 2HH1 ARG 36 2HH2 ARG 36 7.646 -6.742 4.513 288 1HH2 ARG 36 2HH1 ARG 36 4.741 -4.899 4.071 289 2HH2 ARG 36 1HH1 ARG 36 5.494 -6.195 4.940 290 H GLU 37 H GLU 37 10.473 -3.223 -0.947 291 HA GLU 37 HA GLU 37 10.932 -1.482 1.329 292 1HB GLU 37 2HB GLU 37 11.920 -3.784 1.054 293 2HB GLU 37 1HB GLU 37 12.956 -3.132 -0.215 294 1HG GLU 37 2HG GLU 37 14.416 -2.677 1.460 295 2HG GLU 37 1HG GLU 37 13.350 -1.323 1.832 296 H ARG 38 H ARG 38 11.957 -1.499 -2.065 297 HA ARG 38 HA ARG 38 13.644 0.885 -1.672 298 1HB ARG 38 2HB ARG 38 13.686 -1.225 -3.468 299 2HB ARG 38 1HB ARG 38 13.040 0.095 -4.440 300 1HG ARG 38 2HG ARG 38 14.947 1.449 -4.082 301 2HG ARG 38 1HG ARG 38 15.484 0.474 -2.712 302 1HD ARG 38 2HD ARG 38 15.748 -1.460 -4.346 303 2HD ARG 38 1HD ARG 38 15.510 -0.288 -5.641 304 HE ARG 38 HE ARG 38 17.863 -0.432 -3.851 305 1HH1 ARG 38 1HH2 ARG 38 17.462 2.409 -4.119 306 2HH1 ARG 38 2HH2 ARG 38 18.181 2.801 -5.646 307 1HH2 ARG 38 2HH1 ARG 38 18.194 -0.473 -6.784 308 2HH2 ARG 38 1HH1 ARG 38 18.597 1.171 -7.151 309 H PHE 39 H PHE 39 10.455 0.067 -2.886 310 HA PHE 39 HA PHE 39 9.945 2.577 -4.215 311 1HB PHE 39 2HB PHE 39 8.554 0.761 -4.860 312 2HB PHE 39 1HB PHE 39 8.204 0.324 -3.192 313 HD1 PHE 39 HD2 PHE 39 6.605 1.619 -1.855 314 HD2 PHE 39 HD1 PHE 39 7.360 2.579 -5.970 315 HE1 PHE 39 HE2 PHE 39 4.558 3.018 -1.903 316 HE2 PHE 39 HE1 PHE 39 5.313 3.974 -6.021 317 HZ PHE 39 HZ PHE 39 3.914 4.192 -3.986 318 H VAL 40 H VAL 40 8.895 1.309 -1.032 319 HA VAL 40 HA VAL 40 7.589 3.623 -0.110 320 HB VAL 40 HB VAL 40 9.180 1.607 1.509 321 1HG1 VAL 40 2HG1 VAL 40 7.289 3.825 2.245 322 2HG1 VAL 40 1HG1 VAL 40 7.325 2.358 3.223 323 3HG1 VAL 40 3HG1 VAL 40 8.786 3.330 3.036 324 1HG2 VAL 40 2HG2 VAL 40 7.205 0.891 -0.053 325 2HG2 VAL 40 1HG2 VAL 40 7.222 0.317 1.615 326 3HG2 VAL 40 3HG2 VAL 40 6.190 1.672 1.159 327 H GLN 41 H GLN 41 11.049 2.782 0.167 328 HA GLN 41 HA GLN 41 11.687 5.183 1.662 329 1HB GLN 41 2HB GLN 41 12.991 2.954 1.567 330 2HB GLN 41 1HB GLN 41 13.687 3.591 0.074 331 1HG GLN 41 2HG GLN 41 14.433 5.611 1.285 332 2HG GLN 41 1HG GLN 41 13.753 4.964 2.778 333 1HE2 GLN 41 2HE2 GLN 41 17.215 3.342 1.281 334 2HE2 GLN 41 1HE2 GLN 41 16.234 4.295 0.276 335 H GLU 42 H GLU 42 11.394 4.496 -1.752 336 HA GLU 42 HA GLU 42 12.578 7.191 -2.308 337 1HB GLU 42 2HB GLU 42 12.567 4.706 -4.043 338 2HB GLU 42 1HB GLU 42 13.124 6.292 -4.579 339 1HG GLU 42 2HG GLU 42 14.267 5.282 -2.026 340 2HG GLU 42 1HG GLU 42 14.784 4.459 -3.499 341 H VAL 43 H VAL 43 9.679 6.283 -1.774 342 HA VAL 43 HA VAL 43 8.543 7.829 -4.012 343 HB VAL 43 HB VAL 43 7.517 5.032 -3.436 344 1HG1 VAL 43 1HG1 VAL 43 6.610 7.333 -5.104 345 2HG1 VAL 43 3HG1 VAL 43 6.446 5.720 -5.797 346 3HG1 VAL 43 2HG1 VAL 43 5.658 6.107 -4.269 347 1HG2 VAL 43 2HG2 VAL 43 9.174 6.135 -5.727 348 2HG2 VAL 43 1HG2 VAL 43 9.643 4.864 -4.598 349 3HG2 VAL 43 3HG2 VAL 43 8.355 4.574 -5.767 350 H LEU 44 H LEU 44 7.913 6.076 -0.955 351 HA LEU 44 HA LEU 44 5.309 7.164 -0.530 352 1HB LEU 44 2HB LEU 44 6.507 5.234 0.712 353 2HB LEU 44 1HB LEU 44 7.196 6.496 1.725 354 HG LEU 44 HG LEU 44 4.915 7.304 2.257 355 1HD1 LEU 44 2HD1 LEU 44 4.158 5.011 0.441 356 2HD1 LEU 44 1HD1 LEU 44 3.046 5.616 1.668 357 3HD1 LEU 44 3HD1 LEU 44 3.604 6.684 0.382 358 1HD2 LEU 44 3HD2 LEU 44 6.095 5.560 3.640 359 2HD2 LEU 44 2HD2 LEU 44 4.337 5.485 3.750 360 3HD2 LEU 44 1HD2 LEU 44 5.207 4.326 2.745 361 HA PRO 45 HA PRO 45 7.311 10.585 2.106 362 1HB PRO 45 2HB PRO 45 9.958 11.172 1.720 363 2HB PRO 45 1HB PRO 45 9.374 10.093 3.001 364 1HG PRO 45 2HG PRO 45 10.730 9.412 0.439 365 2HG PRO 45 1HG PRO 45 10.730 8.538 1.980 366 1HD PRO 45 2HD PRO 45 9.201 7.859 -0.275 367 2HD PRO 45 1HD PRO 45 8.939 7.274 1.375 368 H LYS 46 H LYS 46 8.366 9.926 -1.169 369 HA LYS 46 HA LYS 46 8.967 12.541 -2.062 370 1HB LYS 46 2HB LYS 46 8.759 10.032 -3.235 371 2HB LYS 46 1HB LYS 46 7.486 10.952 -4.035 372 1HG LYS 46 2HG LYS 46 9.288 11.510 -5.381 373 2HG LYS 46 1HG LYS 46 9.382 12.804 -4.188 374 1HD LYS 46 2HD LYS 46 11.497 12.135 -3.770 375 2HD LYS 46 1HD LYS 46 10.813 10.693 -3.022 376 1HE LYS 46 2HE LYS 46 10.772 9.627 -5.310 377 2HE LYS 46 1HE LYS 46 11.668 11.022 -5.910 378 1HZ LYS 46 2HZ LYS 46 13.259 10.482 -3.980 379 2HZ LYS 46 1HZ LYS 46 12.529 8.947 -4.004 380 3HZ LYS 46 3HZ LYS 46 13.326 9.528 -5.383 381 H TYR 47 H TYR 47 5.887 11.100 -1.275 382 HA TYR 47 HA TYR 47 4.501 13.490 -2.414 383 1HB TYR 47 2HB TYR 47 3.489 10.716 -1.741 384 2HB TYR 47 1HB TYR 47 2.429 12.058 -2.178 385 HD1 TYR 47 HD2 TYR 47 5.391 10.115 -3.377 386 HD2 TYR 47 HD1 TYR 47 2.046 12.593 -4.440 387 HE1 TYR 47 HE2 TYR 47 5.838 9.688 -5.778 388 HE2 TYR 47 HE1 TYR 47 2.494 12.166 -6.842 389 HH TYR 47 HH TYR 47 4.649 11.502 -8.220 390 H PHE 48 H PHE 48 4.248 11.254 0.386 391 HA PHE 48 HA PHE 48 2.940 13.392 1.953 392 1HB PHE 48 2HB PHE 48 3.571 10.487 2.528 393 2HB PHE 48 1HB PHE 48 2.858 11.568 3.725 394 HD1 PHE 48 HD1 PHE 48 0.915 13.154 2.410 395 HD2 PHE 48 HD2 PHE 48 1.985 9.073 1.594 396 HE1 PHE 48 HE1 PHE 48 -1.322 12.765 1.407 397 HE2 PHE 48 HE2 PHE 48 -0.249 8.687 0.592 398 HZ PHE 48 HZ PHE 48 -1.902 10.532 0.499 399 H LYS 49 H LYS 49 3.793 13.369 4.392 400 HA LYS 49 HA LYS 49 6.736 13.858 4.242 401 1HB LYS 49 2HB LYS 49 4.496 15.313 5.449 402 2HB LYS 49 1HB LYS 49 5.815 15.038 6.583 403 1HG LYS 49 2HG LYS 49 6.213 17.135 5.423 404 2HG LYS 49 1HG LYS 49 7.406 15.953 4.884 405 1HD LYS 49 2HD LYS 49 5.490 15.462 3.066 406 2HD LYS 49 1HD LYS 49 5.123 17.155 3.397 407 1HE LYS 49 2HE LYS 49 7.665 17.553 3.091 408 2HE LYS 49 1HE LYS 49 7.679 15.962 2.330 409 1HZ LYS 49 1HZ LYS 49 5.809 16.820 0.903 410 2HZ LYS 49 3HZ LYS 49 6.172 18.369 1.489 411 3HZ LYS 49 2HZ LYS 49 7.338 17.502 0.609 412 H HIS 50 H HIS 50 4.507 13.251 6.958 413 HA HIS 50 HA HIS 50 6.412 11.165 7.914 414 1HB HIS 50 2HB HIS 50 4.414 12.933 9.332 415 2HB HIS 50 1HB HIS 50 5.088 11.500 10.106 416 HD1 HIS 50 HD1 HIS 50 5.669 14.911 10.198 417 HD2 HIS 50 HD2 HIS 50 8.208 11.691 9.442 418 HE1 HIS 50 HE1 HIS 50 8.022 15.733 10.649 419 H SER 51 H SER 51 5.380 9.705 6.288 420 HA SER 51 HA SER 51 2.822 8.572 7.350 421 1HB SER 51 2HB SER 51 3.773 8.811 4.485 422 2HB SER 51 1HB SER 51 2.397 7.829 4.976 423 HG SER 51 HG SER 51 1.453 9.730 5.826 424 H ASN 52 H ASN 52 2.657 6.200 6.220 425 HA ASN 52 HA ASN 52 5.257 4.820 6.165 426 1HB ASN 52 2HB ASN 52 3.792 5.018 8.591 427 2HB ASN 52 1HB ASN 52 3.558 3.372 8.011 428 1HD2 ASN 52 2HD2 ASN 52 7.057 4.335 9.691 429 2HD2 ASN 52 1HD2 ASN 52 5.665 5.299 9.805 430 H PHE 53 H PHE 53 4.931 2.471 5.560 431 HA PHE 53 HA PHE 53 3.200 2.155 3.366 432 1HB PHE 53 2HB PHE 53 3.687 -0.235 3.499 433 2HB PHE 53 1HB PHE 53 5.149 0.681 3.851 434 HD1 PHE 53 HD1 PHE 53 5.951 0.891 6.228 435 HD2 PHE 53 HD2 PHE 53 2.622 -1.599 5.144 436 HE1 PHE 53 HE1 PHE 53 6.109 -0.274 8.414 437 HE2 PHE 53 HE2 PHE 53 2.778 -2.761 7.327 438 HZ PHE 53 HZ PHE 53 4.521 -2.100 8.962 439 H ALA 54 H ALA 54 2.649 1.249 6.761 440 HA ALA 54 HA ALA 54 0.165 -0.086 6.432 441 1HB ALA 54 2HB ALA 54 1.649 0.197 8.556 442 2HB ALA 54 1HB ALA 54 0.730 1.679 8.809 443 3HB ALA 54 3HB ALA 54 -0.100 0.123 8.761 444 H SER 55 H SER 55 0.888 3.379 6.838 445 HA SER 55 HA SER 55 -1.835 4.270 6.978 446 1HB SER 55 2HB SER 55 0.531 5.528 7.277 447 2HB SER 55 1HB SER 55 0.177 5.997 5.617 448 HG SER 55 HG SER 55 -1.143 6.616 7.994 449 H PHE 56 H PHE 56 0.334 3.567 4.281 450 HA PHE 56 HA PHE 56 -1.290 4.650 2.185 451 1HB PHE 56 2HB PHE 56 1.166 3.745 2.144 452 2HB PHE 56 1HB PHE 56 0.406 2.188 1.824 453 HD1 PHE 56 HD2 PHE 56 -1.276 2.052 -0.122 454 HD2 PHE 56 HD1 PHE 56 1.469 5.309 0.412 455 HE1 PHE 56 HE2 PHE 56 -1.550 2.673 -2.507 456 HE2 PHE 56 HE1 PHE 56 1.198 5.930 -1.973 457 HZ PHE 56 HZ PHE 56 -0.312 4.611 -3.433 458 H VAL 57 H VAL 57 -1.313 1.569 3.898 459 HA VAL 57 HA VAL 57 -3.153 0.222 2.130 460 HB VAL 57 HB VAL 57 -2.746 -0.290 5.089 461 1HG1 VAL 57 1HG1 VAL 57 -4.504 -1.438 3.281 462 2HG1 VAL 57 3HG1 VAL 57 -3.129 -2.543 3.241 463 3HG1 VAL 57 2HG1 VAL 57 -3.934 -2.192 4.769 464 1HG2 VAL 57 2HG2 VAL 57 -1.056 -0.948 2.687 465 2HG2 VAL 57 1HG2 VAL 57 -0.549 -0.399 4.285 466 3HG2 VAL 57 3HG2 VAL 57 -1.098 -2.060 4.055 467 H ARG 58 H ARG 58 -3.584 2.040 5.171 468 HA ARG 58 HA ARG 58 -6.394 1.647 5.421 469 1HB ARG 58 2HB ARG 58 -4.494 3.779 6.385 470 2HB ARG 58 1HB ARG 58 -6.228 3.927 6.675 471 1HG ARG 58 2HG ARG 58 -4.798 1.367 7.354 472 2HG ARG 58 1HG ARG 58 -4.750 2.732 8.470 473 1HD ARG 58 2HD ARG 58 -6.695 1.841 9.258 474 2HD ARG 58 1HD ARG 58 -7.411 2.663 7.872 475 HE ARG 58 HE ARG 58 -7.547 0.548 6.731 476 1HH1 ARG 58 2HH1 ARG 58 -5.193 -0.941 7.353 477 2HH1 ARG 58 1HH1 ARG 58 -5.689 -2.070 8.570 478 1HH2 ARG 58 1HH2 ARG 58 -8.581 -0.334 9.373 479 2HH2 ARG 58 2HH2 ARG 58 -7.608 -1.725 9.715 480 H GLN 59 H GLN 59 -4.519 3.974 3.536 481 HA GLN 59 HA GLN 59 -6.704 5.699 2.826 482 1HB GLN 59 2HB GLN 59 -4.147 5.078 1.317 483 2HB GLN 59 1HB GLN 59 -5.225 6.432 0.975 484 1HG GLN 59 2HG GLN 59 -4.166 6.082 3.760 485 2HG GLN 59 1HG GLN 59 -3.117 6.780 2.524 486 1HE2 GLN 59 2HE2 GLN 59 -6.293 8.931 3.930 487 2HE2 GLN 59 1HE2 GLN 59 -6.112 7.297 4.356 488 H LEU 60 H LEU 60 -5.152 3.037 1.000 489 HA LEU 60 HA LEU 60 -6.840 3.038 -1.248 490 1HB LEU 60 2HB LEU 60 -5.563 0.657 0.122 491 2HB LEU 60 1HB LEU 60 -6.209 0.656 -1.517 492 HG LEU 60 HG LEU 60 -4.100 2.630 -0.637 493 1HD1 LEU 60 3HD1 LEU 60 -3.777 -0.162 -1.767 494 2HD1 LEU 60 2HD1 LEU 60 -2.502 1.055 -1.824 495 3HD1 LEU 60 1HD1 LEU 60 -3.098 0.475 -0.269 496 1HD2 LEU 60 3HD2 LEU 60 -5.423 3.083 -2.704 497 2HD2 LEU 60 2HD2 LEU 60 -3.716 2.798 -3.051 498 3HD2 LEU 60 1HD2 LEU 60 -4.902 1.526 -3.348 499 H ASN 61 H ASN 61 -7.322 1.302 1.838 500 HA ASN 61 HA ASN 61 -9.783 0.054 0.971 501 1HB ASN 61 2HB ASN 61 -8.059 -0.256 3.116 502 2HB ASN 61 1HB ASN 61 -9.491 0.442 3.870 503 1HD2 ASN 61 2HD2 ASN 61 -9.579 -3.394 2.584 504 2HD2 ASN 61 1HD2 ASN 61 -8.171 -2.451 2.482 505 H MET 62 H MET 62 -9.013 3.176 2.342 506 HA MET 62 HA MET 62 -11.821 3.685 3.088 507 1HB MET 62 2HB MET 62 -9.354 5.437 3.231 508 2HB MET 62 1HB MET 62 -10.948 5.901 3.823 509 1HG MET 62 2HG MET 62 -9.740 3.315 4.748 510 2HG MET 62 1HG MET 62 -9.202 4.829 5.477 511 1HE MET 62 2HE MET 62 -10.230 6.319 6.575 512 2HE MET 62 1HE MET 62 -11.894 6.732 6.169 513 3HE MET 62 3HE MET 62 -11.515 6.008 7.738 514 H TYR 63 H TYR 63 -10.403 3.638 0.136 515 HA TYR 63 HA TYR 63 -11.951 6.038 -0.750 516 1HB TYR 63 2HB TYR 63 -9.276 5.006 -1.651 517 2HB TYR 63 1HB TYR 63 -10.266 6.008 -2.718 518 HD1 TYR 63 HD2 TYR 63 -11.463 8.046 -1.282 519 HD2 TYR 63 HD1 TYR 63 -7.684 6.193 -0.443 520 HE1 TYR 63 HE2 TYR 63 -10.747 10.070 -0.041 521 HE2 TYR 63 HE1 TYR 63 -6.968 8.216 0.805 522 HH TYR 63 HH TYR 63 -8.275 11.106 0.519 523 H GLY 64 H GLY 64 -10.859 2.765 -1.770 524 1HA GLY 64 2HA GLY 64 -13.373 1.999 -2.790 525 2HA GLY 64 1HA GLY 64 -12.512 2.742 -4.132 526 H TRP 65 H TRP 65 -9.860 1.773 -3.271 527 HA TRP 65 HA TRP 65 -9.723 -0.661 -4.696 528 1HB TRP 65 2HB TRP 65 -7.900 0.378 -2.507 529 2HB TRP 65 1HB TRP 65 -7.506 -0.970 -3.575 530 HD1 TRP 65 HD1 TRP 65 -8.126 2.808 -3.621 531 HE1 TRP 65 HE1 TRP 65 -7.127 3.778 -5.791 532 HE3 TRP 65 HE3 TRP 65 -6.791 -1.515 -5.988 533 HZ2 TRP 65 HZ2 TRP 65 -5.922 2.841 -8.213 534 HZ3 TRP 65 HZ3 TRP 65 -5.721 -1.449 -8.223 535 HH2 TRP 65 HH2 TRP 65 -5.285 0.723 -9.338 536 H HIS 66 H HIS 66 -9.610 -2.882 -4.022 537 HA HIS 66 HA HIS 66 -10.684 -3.352 -1.278 538 1HB HIS 66 2HB HIS 66 -11.229 -4.896 -3.821 539 2HB HIS 66 1HB HIS 66 -11.775 -5.397 -2.222 540 HD1 HIS 66 HD1 HIS 66 -13.839 -4.258 -1.274 541 HD2 HIS 66 HD2 HIS 66 -12.468 -2.431 -4.760 542 HE1 HIS 66 HE1 HIS 66 -15.618 -2.589 -1.954 543 H LYS 67 H LYS 67 -7.894 -3.564 -2.790 544 HA LYS 67 HA LYS 67 -6.012 -4.997 -2.730 545 1HB LYS 67 2HB LYS 67 -6.741 -4.207 -0.241 546 2HB LYS 67 1HB LYS 67 -6.808 -5.957 -0.038 547 1HG LYS 67 2HG LYS 67 -4.570 -5.864 0.283 548 2HG LYS 67 1HG LYS 67 -4.447 -5.588 -1.453 549 1HD LYS 67 2HD LYS 67 -3.817 -3.438 -1.172 550 2HD LYS 67 1HD LYS 67 -5.094 -3.133 0.005 551 1HE LYS 67 2HE LYS 67 -3.769 -3.789 1.813 552 2HE LYS 67 1HE LYS 67 -2.709 -4.777 0.807 553 1HZ LYS 67 3HZ LYS 67 -2.830 -1.878 0.345 554 2HZ LYS 67 2HZ LYS 67 -1.922 -2.465 1.657 555 3HZ LYS 67 1HZ LYS 67 -1.552 -2.959 0.076 556 H VAL 68 H VAL 68 -5.611 -7.440 -1.319 557 HA VAL 68 HA VAL 68 -6.938 -9.312 -3.117 558 HB VAL 68 HB VAL 68 -5.207 -9.845 -0.675 559 1HG1 VAL 68 1HG1 VAL 68 -6.115 -11.577 -2.989 560 2HG1 VAL 68 3HG1 VAL 68 -4.796 -12.021 -1.908 561 3HG1 VAL 68 2HG1 VAL 68 -6.430 -11.834 -1.273 562 1HG2 VAL 68 2HG2 VAL 68 -4.501 -9.642 -3.620 563 2HG2 VAL 68 1HG2 VAL 68 -4.037 -8.491 -2.366 564 3HG2 VAL 68 3HG2 VAL 68 -3.392 -10.133 -2.341 565 H GLN 69 H GLN 69 -8.169 -11.239 -2.185 566 HA GLN 69 HA GLN 69 -9.996 -10.261 -0.040 567 1HB GLN 69 2HB GLN 69 -10.332 -12.238 -2.298 568 2HB GLN 69 1HB GLN 69 -11.477 -12.154 -0.960 569 1HG GLN 69 2HG GLN 69 -11.888 -9.777 -1.432 570 2HG GLN 69 1HG GLN 69 -10.710 -9.822 -2.743 571 1HE2 GLN 69 2HE2 GLN 69 -12.909 -12.118 -4.667 572 2HE2 GLN 69 1HE2 GLN 69 -11.310 -12.147 -4.097 573 H ASP 70 H ASP 70 -7.569 -11.256 0.855 574 HA ASP 70 HA ASP 70 -6.523 -12.937 2.120 575 1HB ASP 70 2HB ASP 70 -7.972 -13.692 4.021 576 2HB ASP 70 1HB ASP 70 -7.971 -11.948 3.774 577 H VAL 71 H VAL 71 -6.797 -14.164 -0.180 578 HA VAL 71 HA VAL 71 -7.478 -16.932 0.578 579 HB VAL 71 HB VAL 71 -8.726 -17.226 -1.631 580 1HG1 VAL 71 1HG1 VAL 71 -9.950 -15.443 0.494 581 2HG1 VAL 71 3HG1 VAL 71 -10.852 -16.405 -0.675 582 3HG1 VAL 71 2HG1 VAL 71 -9.864 -17.202 0.549 583 1HG2 VAL 71 2HG2 VAL 71 -7.875 -14.693 -2.165 584 2HG2 VAL 71 1HG2 VAL 71 -9.288 -15.423 -2.928 585 3HG2 VAL 71 3HG2 VAL 71 -9.488 -14.357 -1.537 586 H LYS 72 H LYS 72 -6.031 -18.338 -0.343 587 HA LYS 72 HA LYS 72 -4.181 -19.071 -1.587 588 1HB LYS 72 2HB LYS 72 -5.958 -18.166 -3.423 589 2HB LYS 72 1HB LYS 72 -4.615 -17.067 -3.740 590 1HG LYS 72 2HG LYS 72 -3.154 -18.809 -4.313 591 2HG LYS 72 1HG LYS 72 -4.118 -20.022 -3.471 592 1HD LYS 72 2HD LYS 72 -4.452 -20.300 -5.861 593 2HD LYS 72 1HD LYS 72 -5.939 -19.664 -5.157 594 1HE LYS 72 2HE LYS 72 -5.079 -17.339 -5.760 595 2HE LYS 72 1HE LYS 72 -3.835 -18.148 -6.715 596 1HZ LYS 72 2HZ LYS 72 -6.661 -18.884 -7.073 597 2HZ LYS 72 1HZ LYS 72 -6.059 -17.482 -7.819 598 3HZ LYS 72 3HZ LYS 72 -5.374 -18.990 -8.177 599 H SER 73 H SER 73 -3.766 -17.029 0.365 600 HA SER 73 HA SER 73 -1.926 -15.069 -0.853 601 1HB SER 73 2HB SER 73 -3.309 -14.231 0.936 602 2HB SER 73 1HB SER 73 -2.828 -15.550 1.999 603 HG SER 73 HG SER 73 -1.698 -13.222 1.803 604 H GLY 74 H GLY 74 -1.495 -17.102 2.061 605 1HA GLY 74 2HA GLY 74 0.293 -18.525 2.654 606 2HA GLY 74 1HA GLY 74 0.835 -18.463 0.976 607 H SER 75 H SER 75 0.275 -15.673 3.059 608 HA SER 75 HA SER 75 1.730 -14.051 3.912 609 1HB SER 75 2HB SER 75 4.066 -15.863 3.319 610 2HB SER 75 1HB SER 75 3.909 -14.652 4.586 611 HG SER 75 HG SER 75 3.353 -16.341 5.728 612 H MET 76 H MET 76 1.477 -14.891 0.777 613 HA MET 76 HA MET 76 2.245 -14.003 -1.248 614 1HB MET 76 2HB MET 76 2.697 -11.615 0.563 615 2HB MET 76 1HB MET 76 2.600 -11.564 -1.197 616 1HG MET 76 2HG MET 76 0.303 -12.831 -0.762 617 2HG MET 76 1HG MET 76 0.429 -12.032 0.806 618 1HE MET 76 1HE MET 76 -1.123 -10.685 1.026 619 2HE MET 76 3HE MET 76 -0.137 -9.216 1.058 620 3HE MET 76 2HE MET 76 -1.615 -9.269 0.099 621 H LEU 77 H LEU 77 4.298 -15.341 0.500 622 HA LEU 77 HA LEU 77 6.738 -13.783 -0.077 623 1HB LEU 77 2HB LEU 77 6.032 -16.068 1.654 624 2HB LEU 77 1HB LEU 77 7.622 -16.192 0.901 625 HG LEU 77 HG LEU 77 6.815 -13.588 2.146 626 1HD1 LEU 77 2HD1 LEU 77 6.434 -15.697 3.696 627 2HD1 LEU 77 1HD1 LEU 77 8.193 -15.669 3.807 628 3HD1 LEU 77 3HD1 LEU 77 7.256 -14.268 4.325 629 1HD2 LEU 77 1HD2 LEU 77 8.979 -14.195 0.780 630 2HD2 LEU 77 3HD2 LEU 77 9.127 -13.230 2.249 631 3HD2 LEU 77 2HD2 LEU 77 9.490 -14.955 2.287 632 H SER 78 H SER 78 6.432 -17.313 -0.465 633 HA SER 78 HA SER 78 7.075 -18.686 -2.256 634 1HB SER 78 2HB SER 78 5.528 -16.448 -3.432 635 2HB SER 78 1HB SER 78 6.510 -17.371 -4.565 636 HG SER 78 HG SER 78 4.243 -18.097 -3.964 637 H ASN 79 H ASN 79 9.168 -17.228 -1.146 638 HA ASN 79 HA ASN 79 11.369 -16.563 -1.580 639 1HB ASN 79 2HB ASN 79 10.643 -18.000 -4.136 640 2HB ASN 79 1HB ASN 79 12.227 -17.257 -3.921 641 1HD2 ASN 79 2HD2 ASN 79 13.404 -20.013 -2.101 642 2HD2 ASN 79 1HD2 ASN 79 13.737 -18.721 -3.151 643 H ASN 80 H ASN 80 9.923 -14.416 -1.561 644 HA ASN 80 HA ASN 80 10.829 -12.843 -3.920 645 1HB ASN 80 2HB ASN 80 8.023 -12.987 -2.809 646 2HB ASN 80 1HB ASN 80 8.583 -11.583 -3.721 647 1HD2 ASN 80 2HD2 ASN 80 8.208 -13.195 -6.828 648 2HD2 ASN 80 1HD2 ASN 80 8.433 -11.744 -5.975 649 H ASP 81 H ASP 81 9.412 -12.738 -0.649 650 HA ASP 81 HA ASP 81 9.973 -11.420 1.202 651 1HB ASP 81 2HB ASP 81 12.358 -11.827 0.123 652 2HB ASP 81 1HB ASP 81 12.229 -10.111 -0.263 653 H SER 82 H SER 82 8.715 -10.261 -1.579 654 HA SER 82 HA SER 82 7.632 -7.913 -0.479 655 1HB SER 82 2HB SER 82 10.337 -7.549 -1.651 656 2HB SER 82 1HB SER 82 9.126 -6.364 -2.133 657 HG SER 82 HG SER 82 10.307 -5.876 -0.162 658 H ARG 83 H ARG 83 5.846 -8.703 -1.668 659 HA ARG 83 HA ARG 83 5.774 -7.827 -4.469 660 1HB ARG 83 2HB ARG 83 6.570 -10.377 -4.167 661 2HB ARG 83 1HB ARG 83 4.826 -10.625 -4.076 662 1HG ARG 83 2HG ARG 83 5.040 -8.892 -6.209 663 2HG ARG 83 1HG ARG 83 6.496 -9.869 -6.386 664 1HD ARG 83 2HD ARG 83 4.376 -11.656 -5.736 665 2HD ARG 83 1HD ARG 83 3.782 -10.580 -7.002 666 HE ARG 83 HE ARG 83 6.102 -12.420 -7.254 667 1HH1 ARG 83 2HH1 ARG 83 7.122 -10.586 -8.981 668 2HH1 ARG 83 1HH1 ARG 83 6.174 -10.642 -10.430 669 1HH2 ARG 83 1HH2 ARG 83 3.504 -12.276 -8.940 670 2HH2 ARG 83 2HH2 ARG 83 4.127 -11.599 -10.408 671 H TRP 84 H TRP 84 4.113 -6.409 -3.774 672 HA TRP 84 HA TRP 84 1.667 -7.664 -2.624 673 1HB TRP 84 2HB TRP 84 2.531 -4.772 -2.880 674 2HB TRP 84 1HB TRP 84 0.953 -5.273 -2.272 675 HD1 TRP 84 HD1 TRP 84 4.654 -6.119 -1.545 676 HE1 TRP 84 HE1 TRP 84 4.928 -6.396 1.000 677 HE3 TRP 84 HE3 TRP 84 -0.172 -5.372 -0.055 678 HZ2 TRP 84 HZ2 TRP 84 3.314 -6.310 3.363 679 HZ3 TRP 84 HZ3 TRP 84 -0.776 -5.478 2.347 680 HH2 TRP 84 HH2 TRP 84 0.958 -5.946 4.055 681 H GLU 85 H GLU 85 -0.439 -6.713 -3.530 682 HA GLU 85 HA GLU 85 -0.341 -5.794 -6.313 683 1HB GLU 85 2HB GLU 85 -0.121 -8.403 -6.221 684 2HB GLU 85 1HB GLU 85 -1.840 -8.358 -5.825 685 1HG GLU 85 2HG GLU 85 -2.263 -7.018 -7.869 686 2HG GLU 85 1HG GLU 85 -0.548 -7.121 -8.275 687 H PHE 86 H PHE 86 -1.792 -4.147 -6.114 688 HA PHE 86 HA PHE 86 -4.128 -4.427 -4.332 689 1HB PHE 86 2HB PHE 86 -3.350 -2.109 -6.128 690 2HB PHE 86 1HB PHE 86 -4.544 -2.076 -4.839 691 HD1 PHE 86 HD1 PHE 86 -2.369 -4.071 -3.223 692 HD2 PHE 86 HD2 PHE 86 -2.412 -0.095 -4.867 693 HE1 PHE 86 HE1 PHE 86 -0.604 -3.387 -1.626 694 HE2 PHE 86 HE2 PHE 86 -0.646 0.580 -3.267 695 HZ PHE 86 HZ PHE 86 0.259 -1.064 -1.649 696 H GLU 87 H GLU 87 -6.092 -5.084 -5.065 697 HA GLU 87 HA GLU 87 -6.510 -5.179 -8.021 698 1HB GLU 87 2HB GLU 87 -7.722 -6.775 -5.750 699 2HB GLU 87 1HB GLU 87 -8.343 -6.830 -7.400 700 1HG GLU 87 2HG GLU 87 -5.808 -7.282 -8.004 701 2HG GLU 87 1HG GLU 87 -5.728 -7.827 -6.328 702 H ASN 88 H ASN 88 -8.380 -4.285 -8.909 703 HA ASN 88 HA ASN 88 -9.967 -2.541 -7.068 704 1HB ASN 88 2HB ASN 88 -8.488 -1.730 -9.195 705 2HB ASN 88 1HB ASN 88 -10.029 -2.037 -9.997 706 1HD2 ASN 88 2HD2 ASN 88 -11.218 1.088 -8.920 707 2HD2 ASN 88 1HD2 ASN 88 -11.067 -0.044 -10.176 708 H GLU 89 H GLU 89 -12.261 -2.421 -7.458 709 HA GLU 89 HA GLU 89 -13.333 -4.857 -8.797 710 1HB GLU 89 2HB GLU 89 -13.829 -3.957 -6.279 711 2HB GLU 89 1HB GLU 89 -15.142 -3.172 -7.155 712 1HG GLU 89 2HG GLU 89 -16.101 -5.193 -7.804 713 2HG GLU 89 1HG GLU 89 -14.577 -6.072 -7.680 714 H ARG 90 H ARG 90 -13.000 -3.720 -10.877 715 HA ARG 90 HA ARG 90 -14.805 -1.439 -11.411 716 1HB ARG 90 2HB ARG 90 -12.699 -2.860 -13.052 717 2HB ARG 90 1HB ARG 90 -13.747 -1.614 -13.728 718 1HG ARG 90 2HG ARG 90 -12.870 -0.406 -11.418 719 2HG ARG 90 1HG ARG 90 -11.456 -1.350 -11.887 720 1HD ARG 90 2HD ARG 90 -11.144 0.673 -13.045 721 2HD ARG 90 1HD ARG 90 -11.876 -0.373 -14.263 722 HE ARG 90 HE ARG 90 -14.046 0.772 -13.771 723 1HH1 ARG 90 2HH1 ARG 90 -13.714 2.162 -11.300 724 2HH1 ARG 90 1HH1 ARG 90 -13.204 3.754 -11.752 725 1HH2 ARG 90 1HH2 ARG 90 -12.252 2.829 -14.955 726 2HH2 ARG 90 2HH2 ARG 90 -12.375 4.130 -13.820 727 H HIS 91 H HIS 91 -15.675 -4.401 -10.962 728 HA HIS 91 HA HIS 91 -17.537 -4.431 -13.271 729 1HB HIS 91 2HB HIS 91 -17.205 -6.891 -13.529 730 2HB HIS 91 1HB HIS 91 -15.756 -5.970 -13.928 731 HD1 HIS 91 HD1 HIS 91 -16.817 -8.793 -11.980 732 HD2 HIS 91 HD2 HIS 91 -13.945 -5.814 -11.474 733 HE1 HIS 91 HE1 HIS 91 -15.192 -9.654 -10.237 734 H ALA 92 HN ALA 92 -19.590 -5.040 -12.673 735 HA ALA 92 HA ALA 92 -21.374 -5.609 -11.261 736 1HB ALA 92 1HB ALA 92 -19.910 -7.775 -11.251 737 2HB ALA 92 3HB ALA 92 -19.469 -7.264 -9.622 738 3HB ALA 92 2HB ALA 92 -21.158 -7.586 -10.017 No H/Q in entry = 738 Start of MODEL 21 Raw file had 756 H/Q atoms Start of MODEL 21 1 1H ALA 1 2H ALA 1 -10.325 12.433 -8.113 2 2H ALA 1 1H ALA 1 -11.815 12.562 -8.920 3 3H ALA 1 3H ALA 1 -10.401 12.235 -9.797 4 HA ALA 1 HA ALA 1 -9.529 14.386 -9.409 5 1HB ALA 1 2HB ALA 1 -12.351 14.136 -10.361 6 2HB ALA 1 1HB ALA 1 -11.699 15.759 -10.135 7 3HB ALA 1 3HB ALA 1 -10.909 14.638 -11.244 8 H ARG 2 H ARG 2 -12.545 13.848 -7.585 9 HA ARG 2 HA ARG 2 -12.397 16.330 -6.112 10 1HB ARG 2 2HB ARG 2 -13.995 13.822 -5.959 11 2HB ARG 2 1HB ARG 2 -13.876 14.774 -4.479 12 1HG ARG 2 2HG ARG 2 -14.571 16.795 -5.805 13 2HG ARG 2 1HG ARG 2 -14.857 15.731 -7.182 14 1HD ARG 2 2HD ARG 2 -16.314 14.372 -5.459 15 2HD ARG 2 1HD ARG 2 -16.349 15.903 -4.583 16 HE ARG 2 HE ARG 2 -17.018 16.287 -7.369 17 1HH1 ARG 2 2HH1 ARG 2 -18.325 17.526 -4.897 18 2HH1 ARG 2 1HH1 ARG 2 -19.916 16.848 -4.991 19 1HH2 ARG 2 1HH2 ARG 2 -19.018 14.385 -7.261 20 2HH2 ARG 2 2HH2 ARG 2 -20.308 15.069 -6.331 21 HA PRO 3 HA PRO 3 -10.448 13.733 -2.678 22 1HB PRO 3 2HB PRO 3 -9.482 11.225 -3.243 23 2HB PRO 3 1HB PRO 3 -11.106 11.532 -2.601 24 1HG PRO 3 2HG PRO 3 -10.284 10.803 -5.371 25 2HG PRO 3 1HG PRO 3 -11.807 10.475 -4.529 26 1HD PRO 3 2HD PRO 3 -11.408 12.483 -6.443 27 2HD PRO 3 1HD PRO 3 -12.767 12.398 -5.308 28 H ALA 4 H ALA 4 -8.525 14.764 -2.486 29 HA ALA 4 HA ALA 4 -6.628 15.125 -4.580 30 1HB ALA 4 2HB ALA 4 -6.487 15.432 -1.583 31 2HB ALA 4 1HB ALA 4 -5.079 15.733 -2.600 32 3HB ALA 4 3HB ALA 4 -6.542 16.693 -2.813 33 H PHE 5 H PHE 5 -7.092 12.491 -2.343 34 HA PHE 5 HA PHE 5 -4.412 11.404 -2.496 35 1HB PHE 5 2HB PHE 5 -6.015 10.818 -0.685 36 2HB PHE 5 1HB PHE 5 -7.047 10.022 -1.870 37 HD1 PHE 5 HD2 PHE 5 -3.548 9.994 -0.536 38 HD2 PHE 5 HD1 PHE 5 -6.710 7.768 -2.399 39 HE1 PHE 5 HE2 PHE 5 -2.215 7.914 -0.312 40 HE2 PHE 5 HE1 PHE 5 -5.379 5.689 -2.179 41 HZ PHE 5 HZ PHE 5 -3.132 5.761 -1.135 42 H VAL 6 H VAL 6 -7.487 10.559 -4.150 43 HA VAL 6 HA VAL 6 -6.327 8.561 -5.841 44 HB VAL 6 HB VAL 6 -8.700 10.340 -6.479 45 1HG1 VAL 6 2HG1 VAL 6 -7.454 8.568 -8.114 46 2HG1 VAL 6 1HG1 VAL 6 -8.565 7.484 -7.278 47 3HG1 VAL 6 3HG1 VAL 6 -9.191 8.873 -8.165 48 1HG2 VAL 6 1HG2 VAL 6 -8.420 7.854 -4.777 49 2HG2 VAL 6 3HG2 VAL 6 -9.169 9.392 -4.343 50 3HG2 VAL 6 2HG2 VAL 6 -9.962 8.319 -5.496 51 H ASN 7 H ASN 7 -6.333 12.054 -5.962 52 HA ASN 7 HA ASN 7 -5.662 12.346 -8.749 53 1HB ASN 7 2HB ASN 7 -5.348 14.113 -6.324 54 2HB ASN 7 1HB ASN 7 -4.772 14.613 -7.914 55 1HD2 ASN 7 2HD2 ASN 7 -8.067 15.934 -8.278 56 2HD2 ASN 7 1HD2 ASN 7 -6.444 16.327 -7.970 57 H LYS 8 H LYS 8 -3.594 12.500 -5.805 58 HA LYS 8 HA LYS 8 -1.143 12.704 -7.239 59 1HB LYS 8 2HB LYS 8 -0.039 12.292 -5.164 60 2HB LYS 8 1HB LYS 8 -1.518 13.148 -4.750 61 1HG LYS 8 2HG LYS 8 -2.590 10.957 -4.241 62 2HG LYS 8 1HG LYS 8 -1.053 10.156 -4.542 63 1HD LYS 8 2HD LYS 8 -1.397 12.375 -2.511 64 2HD LYS 8 1HD LYS 8 -1.545 10.666 -2.103 65 1HE LYS 8 2HE LYS 8 0.897 11.692 -3.541 66 2HE LYS 8 1HE LYS 8 0.771 11.803 -1.788 67 1HZ LYS 8 2HZ LYS 8 0.349 9.279 -3.284 68 2HZ LYS 8 1HZ LYS 8 1.858 9.742 -2.656 69 3HZ LYS 8 3HZ LYS 8 0.552 9.473 -1.609 70 H LEU 9 H LEU 9 -3.185 9.962 -6.580 71 HA LEU 9 HA LEU 9 -1.205 7.902 -6.971 72 1HB LEU 9 2HB LEU 9 -3.556 7.696 -5.939 73 2HB LEU 9 1HB LEU 9 -4.143 7.622 -7.601 74 HG LEU 9 HG LEU 9 -2.340 5.775 -7.918 75 1HD1 LEU 9 1HD1 LEU 9 -2.432 6.155 -4.945 76 2HD1 LEU 9 3HD1 LEU 9 -2.217 4.527 -5.587 77 3HD1 LEU 9 2HD1 LEU 9 -1.054 5.790 -5.981 78 1HD2 LEU 9 3HD2 LEU 9 -4.978 5.659 -7.576 79 2HD2 LEU 9 2HD2 LEU 9 -4.003 4.189 -7.591 80 3HD2 LEU 9 1HD2 LEU 9 -4.516 4.891 -6.057 81 H TRP 10 H TRP 10 -3.345 9.673 -9.186 82 HA TRP 10 HA TRP 10 -2.786 8.013 -11.488 83 1HB TRP 10 2HB TRP 10 -3.768 10.880 -11.375 84 2HB TRP 10 1HB TRP 10 -3.822 9.830 -12.788 85 HD1 TRP 10 HD1 TRP 10 -6.115 11.080 -10.453 86 HE1 TRP 10 HE1 TRP 10 -8.044 9.451 -9.936 87 HE3 TRP 10 HE3 TRP 10 -4.113 6.741 -12.256 88 HZ2 TRP 10 HZ2 TRP 10 -8.659 6.676 -10.247 89 HZ3 TRP 10 HZ3 TRP 10 -5.392 4.622 -12.134 90 HH2 TRP 10 HH2 TRP 10 -7.660 4.584 -11.133 91 H SER 11 H SER 11 -0.765 10.199 -9.853 92 HA SER 11 HA SER 11 0.777 10.720 -12.368 93 1HB SER 11 2HB SER 11 -0.002 12.787 -11.323 94 2HB SER 11 1HB SER 11 0.703 12.302 -9.785 95 HG SER 11 HG SER 11 2.647 12.757 -10.522 96 H MET 12 H MET 12 0.870 9.242 -9.236 97 HA MET 12 HA MET 12 3.818 9.100 -9.222 98 1HB MET 12 2HB MET 12 3.556 7.965 -7.062 99 2HB MET 12 1HB MET 12 2.613 9.453 -7.086 100 1HG MET 12 2HG MET 12 0.604 8.053 -7.749 101 2HG MET 12 1HG MET 12 1.585 6.624 -7.442 102 1HE MET 12 2HE MET 12 1.879 5.540 -5.548 103 2HE MET 12 1HE MET 12 3.097 6.633 -4.893 104 3HE MET 12 3HE MET 12 1.755 6.088 -3.877 105 H VAL 13 H VAL 13 1.035 6.997 -9.807 106 HA VAL 13 HA VAL 13 2.438 4.515 -9.848 107 HB VAL 13 HB VAL 13 0.039 5.284 -11.537 108 1HG1 VAL 13 3HG1 VAL 13 1.353 3.098 -11.965 109 2HG1 VAL 13 2HG1 VAL 13 0.734 2.574 -10.399 110 3HG1 VAL 13 1HG1 VAL 13 -0.385 2.960 -11.706 111 1HG2 VAL 13 2HG2 VAL 13 0.153 5.498 -8.822 112 2HG2 VAL 13 1HG2 VAL 13 -1.309 5.055 -9.701 113 3HG2 VAL 13 3HG2 VAL 13 -0.297 3.801 -8.987 114 H ASN 14 H ASN 14 1.357 6.396 -12.702 115 HA ASN 14 HA ASN 14 3.448 5.063 -14.314 116 1HB ASN 14 2HB ASN 14 2.347 6.248 -16.223 117 2HB ASN 14 1HB ASN 14 1.238 5.221 -15.315 118 1HD2 ASN 14 2HD2 ASN 14 -0.813 7.901 -14.291 119 2HD2 ASN 14 1HD2 ASN 14 -0.538 6.226 -14.280 120 H ASP 15 H ASP 15 4.686 6.635 -12.474 121 HA ASP 15 HA ASP 15 5.248 9.250 -13.758 122 1HB ASP 15 2HB ASP 15 5.035 8.537 -11.118 123 2HB ASP 15 1HB ASP 15 6.783 8.488 -11.348 124 H LYS 16 H LYS 16 7.269 9.754 -14.632 125 HA LYS 16 HA LYS 16 8.840 7.541 -15.631 126 1HB LYS 16 2HB LYS 16 9.414 10.519 -15.638 127 2HB LYS 16 1HB LYS 16 10.287 9.312 -16.581 128 1HG LYS 16 2HG LYS 16 8.002 8.649 -17.550 129 2HG LYS 16 1HG LYS 16 7.399 10.154 -16.854 130 1HD LYS 16 2HD LYS 16 9.845 10.105 -18.622 131 2HD LYS 16 1HD LYS 16 8.221 10.241 -19.297 132 1HE LYS 16 2HE LYS 16 7.901 12.179 -17.605 133 2HE LYS 16 1HE LYS 16 9.659 12.161 -17.468 134 1HZ LYS 16 1HZ LYS 16 9.499 12.170 -20.065 135 2HZ LYS 16 3HZ LYS 16 7.979 12.863 -19.765 136 3HZ LYS 16 2HZ LYS 16 9.385 13.617 -19.182 137 H SER 17 H SER 17 8.924 9.255 -12.659 138 HA SER 17 HA SER 17 11.807 8.805 -12.229 139 1HB SER 17 2HB SER 17 10.690 10.862 -11.365 140 2HB SER 17 1HB SER 17 9.692 9.853 -10.324 141 HG SER 17 HG SER 17 11.818 10.809 -9.528 142 H ASN 18 H ASN 18 8.748 7.278 -11.488 143 HA ASN 18 HA ASN 18 10.159 5.378 -9.664 144 1HB ASN 18 2HB ASN 18 7.165 5.708 -9.981 145 2HB ASN 18 1HB ASN 18 8.020 4.852 -8.700 146 1HD2 ASN 18 2HD2 ASN 18 7.127 8.637 -8.037 147 2HD2 ASN 18 1HD2 ASN 18 6.306 7.591 -9.089 148 H GLU 19 H GLU 19 10.255 5.298 -12.623 149 HA GLU 19 HA GLU 19 8.464 3.303 -13.641 150 1HB GLU 19 2HB GLU 19 11.119 4.401 -14.507 151 2HB GLU 19 1HB GLU 19 10.468 2.972 -15.311 152 1HG GLU 19 2HG GLU 19 8.381 4.194 -15.803 153 2HG GLU 19 1HG GLU 19 9.027 5.624 -15.002 154 H LYS 20 H LYS 20 11.456 3.080 -11.811 155 HA LYS 20 HA LYS 20 11.461 0.124 -12.200 156 1HB LYS 20 2HB LYS 20 13.535 2.149 -11.761 157 2HB LYS 20 1HB LYS 20 13.701 0.774 -10.669 158 1HG LYS 20 2HG LYS 20 13.228 0.359 -13.618 159 2HG LYS 20 1HG LYS 20 14.855 0.624 -12.988 160 1HD LYS 20 2HD LYS 20 14.279 -1.252 -11.294 161 2HD LYS 20 1HD LYS 20 12.958 -1.643 -12.395 162 1HE LYS 20 2HE LYS 20 14.624 -2.989 -13.276 163 2HE LYS 20 1HE LYS 20 14.890 -1.519 -14.214 164 1HZ LYS 20 2HZ LYS 20 16.426 -0.904 -12.244 165 2HZ LYS 20 1HZ LYS 20 16.428 -2.575 -11.940 166 3HZ LYS 20 3HZ LYS 20 16.984 -1.987 -13.430 167 H PHE 21 H PHE 21 9.501 1.509 -10.486 168 HA PHE 21 HA PHE 21 10.170 0.089 -7.956 169 1HB PHE 21 2HB PHE 21 9.270 2.964 -8.212 170 2HB PHE 21 1HB PHE 21 9.132 2.054 -6.708 171 HD1 PHE 21 HD1 PHE 21 11.312 0.823 -5.902 172 HD2 PHE 21 HD2 PHE 21 11.275 4.091 -8.686 173 HE1 PHE 21 HE1 PHE 21 13.698 1.277 -5.405 174 HE2 PHE 21 HE2 PHE 21 13.660 4.546 -8.187 175 HZ PHE 21 HZ PHE 21 14.872 3.136 -6.545 176 H ILE 22 H ILE 22 7.627 1.690 -9.886 177 HA ILE 22 HA ILE 22 5.727 -0.373 -8.863 178 HB ILE 22 HB ILE 22 5.306 1.741 -7.670 179 1HG1 ILE 22 2HG1 ILE 22 3.128 1.452 -9.740 180 2HG1 ILE 22 1HG1 ILE 22 3.424 0.193 -8.543 181 1HG2 ILE 22 3HG2 ILE 22 4.966 2.881 -10.459 182 2HG2 ILE 22 2HG2 ILE 22 4.533 3.723 -8.971 183 3HG2 ILE 22 1HG2 ILE 22 6.217 3.312 -9.292 184 1HD1 ILE 22 2HD1 ILE 22 3.311 2.910 -7.405 185 2HD1 ILE 22 1HD1 ILE 22 1.800 2.378 -8.142 186 3HD1 ILE 22 3HD1 ILE 22 2.535 1.425 -6.854 187 H HIS 23 H HIS 23 3.992 -0.874 -10.377 188 HA HIS 23 HA HIS 23 4.091 0.299 -13.072 189 1HB HIS 23 2HB HIS 23 5.899 -1.500 -12.982 190 2HB HIS 23 1HB HIS 23 4.595 -2.670 -12.768 191 HD1 HIS 23 HD1 HIS 23 5.478 0.158 -15.178 192 HD2 HIS 23 HD2 HIS 23 3.559 -3.542 -15.173 193 HE1 HIS 23 HE1 HIS 23 4.792 -0.295 -17.573 194 H TRP 24 H TRP 24 2.343 -0.662 -14.465 195 HA TRP 24 HA TRP 24 -0.047 -1.176 -12.820 196 1HB TRP 24 2HB TRP 24 0.355 -0.786 -15.798 197 2HB TRP 24 1HB TRP 24 -1.216 -1.095 -15.059 198 HD1 TRP 24 HD1 TRP 24 1.717 1.340 -14.340 199 HE1 TRP 24 HE1 TRP 24 0.713 3.663 -13.845 200 HE3 TRP 24 HE3 TRP 24 -3.253 0.270 -14.810 201 HZ2 TRP 24 HZ2 TRP 24 -1.861 4.900 -13.670 202 HZ3 TRP 24 HZ3 TRP 24 -4.957 2.040 -14.477 203 HH2 TRP 24 HH2 TRP 24 -4.266 4.351 -13.908 204 H SER 25 H SER 25 -1.524 -2.972 -13.402 205 HA SER 25 HA SER 25 -0.013 -5.475 -13.750 206 1HB SER 25 2HB SER 25 -1.674 -5.523 -12.032 207 2HB SER 25 1HB SER 25 -2.896 -4.830 -13.095 208 HG SER 25 HG SER 25 -3.371 -6.847 -13.465 209 H THR 26 H THR 26 -1.094 -7.181 -15.232 210 HA THR 26 HA THR 26 -1.223 -6.072 -17.925 211 HB THR 26 HB THR 26 -1.780 -8.910 -17.011 212 HG1 THR 26 HG1 THR 26 0.315 -9.191 -16.977 213 1HG2 THR 26 2HG2 THR 26 -1.504 -7.544 -19.632 214 2HG2 THR 26 1HG2 THR 26 -0.689 -9.099 -19.473 215 3HG2 THR 26 3HG2 THR 26 -2.427 -8.984 -19.204 216 H SER 27 H SER 27 -3.069 -5.001 -18.477 217 HA SER 27 HA SER 27 -5.330 -4.659 -18.982 218 1HB SER 27 2HB SER 27 -4.994 -7.571 -18.954 219 2HB SER 27 1HB SER 27 -6.631 -7.079 -18.536 220 HG SER 27 HG SER 27 -6.901 -6.327 -20.498 221 H GLY 28 H GLY 28 -6.986 -3.833 -17.768 222 1HA GLY 28 2HA GLY 28 -8.567 -3.882 -15.926 223 2HA GLY 28 1HA GLY 28 -7.458 -4.931 -15.043 224 H GLU 29 H GLU 29 -7.480 -3.523 -13.217 225 HA GLU 29 HA GLU 29 -5.661 -1.198 -13.511 226 1HB GLU 29 2HB GLU 29 -8.313 -0.697 -13.461 227 2HB GLU 29 1HB GLU 29 -8.007 -0.788 -11.726 228 1HG GLU 29 2HG GLU 29 -6.524 1.020 -11.756 229 2HG GLU 29 1HG GLU 29 -6.186 0.839 -13.476 230 H SER 30 H SER 30 -4.138 -2.564 -12.391 231 HA SER 30 HA SER 30 -4.651 -2.706 -9.460 232 1HB SER 30 2HB SER 30 -3.625 -4.974 -11.188 233 2HB SER 30 1HB SER 30 -3.569 -4.972 -9.428 234 HG SER 30 HG SER 30 -5.873 -4.675 -9.493 235 H ILE 31 H ILE 31 -2.838 -2.259 -8.228 236 HA ILE 31 HA ILE 31 -0.440 -1.338 -9.717 237 HB ILE 31 HB ILE 31 -1.156 -0.992 -6.788 238 1HG1 ILE 31 2HG1 ILE 31 -1.330 1.135 -8.921 239 2HG1 ILE 31 1HG1 ILE 31 -2.691 0.054 -8.623 240 1HG2 ILE 31 3HG2 ILE 31 0.903 0.343 -8.573 241 2HG2 ILE 31 2HG2 ILE 31 0.554 0.811 -6.910 242 3HG2 ILE 31 1HG2 ILE 31 1.242 -0.776 -7.253 243 1HD1 ILE 31 3HD1 ILE 31 -1.458 1.285 -6.218 244 2HD1 ILE 31 2HD1 ILE 31 -2.340 2.379 -7.283 245 3HD1 ILE 31 1HD1 ILE 31 -3.157 0.982 -6.583 246 H VAL 32 H VAL 32 1.144 -2.842 -9.946 247 HA VAL 32 HA VAL 32 1.392 -5.027 -7.961 248 HB VAL 32 HB VAL 32 2.963 -4.571 -10.516 249 1HG1 VAL 32 3HG1 VAL 32 2.819 -6.709 -8.445 250 2HG1 VAL 32 2HG1 VAL 32 2.939 -7.233 -10.125 251 3HG1 VAL 32 1HG1 VAL 32 4.183 -6.193 -9.435 252 1HG2 VAL 32 1HG2 VAL 32 0.416 -4.796 -10.752 253 2HG2 VAL 32 3HG2 VAL 32 1.386 -5.973 -11.637 254 3HG2 VAL 32 2HG2 VAL 32 0.608 -6.432 -10.122 255 H VAL 33 H VAL 33 2.916 -4.987 -6.381 256 HA VAL 33 HA VAL 33 5.161 -3.022 -6.637 257 HB VAL 33 HB VAL 33 3.723 -3.935 -4.123 258 1HG1 VAL 33 2HG1 VAL 33 6.144 -2.194 -4.596 259 2HG1 VAL 33 1HG1 VAL 33 5.138 -1.972 -3.165 260 3HG1 VAL 33 3HG1 VAL 33 5.946 -3.515 -3.444 261 1HG2 VAL 33 3HG2 VAL 33 3.623 -1.438 -5.804 262 2HG2 VAL 33 2HG2 VAL 33 2.286 -2.383 -5.147 263 3HG2 VAL 33 1HG2 VAL 33 3.256 -1.368 -4.080 264 HA PRO 34 HA PRO 34 6.945 -7.229 -6.354 265 1HB PRO 34 2HB PRO 34 9.267 -6.625 -7.685 266 2HB PRO 34 1HB PRO 34 7.792 -7.178 -8.495 267 1HG PRO 34 2HG PRO 34 8.972 -4.452 -8.407 268 2HG PRO 34 1HG PRO 34 7.907 -5.178 -9.622 269 1HD PRO 34 2HD PRO 34 7.127 -3.355 -7.601 270 2HD PRO 34 1HD PRO 34 6.043 -4.314 -8.624 271 H ASN 35 H ASN 35 8.135 -4.010 -5.648 272 HA ASN 35 HA ASN 35 9.692 -5.126 -3.366 273 1HB ASN 35 2HB ASN 35 10.642 -3.311 -5.554 274 2HB ASN 35 1HB ASN 35 11.283 -3.081 -3.928 275 1HD2 ASN 35 2HD2 ASN 35 12.306 -6.430 -6.049 276 2HD2 ASN 35 1HD2 ASN 35 11.052 -5.428 -6.601 277 H ARG 36 H ARG 36 8.140 -4.430 -1.861 278 HA ARG 36 HA ARG 36 6.991 -1.755 -1.954 279 1HB ARG 36 2HB ARG 36 5.989 -2.359 0.222 280 2HB ARG 36 1HB ARG 36 5.751 -3.643 -0.961 281 1HG ARG 36 2HG ARG 36 8.119 -4.430 0.113 282 2HG ARG 36 1HG ARG 36 7.400 -3.628 1.508 283 1HD ARG 36 2HD ARG 36 6.121 -5.836 -0.133 284 2HD ARG 36 1HD ARG 36 6.775 -5.997 1.498 285 HE ARG 36 HE ARG 36 4.181 -4.912 0.822 286 1HH1 ARG 36 1HH2 ARG 36 4.887 -2.508 2.066 287 2HH1 ARG 36 2HH2 ARG 36 4.830 -2.816 3.769 288 1HH2 ARG 36 1HH1 ARG 36 4.867 -4.948 4.532 289 2HH2 ARG 36 2HH1 ARG 36 4.951 -6.266 3.411 290 H GLU 37 H GLU 37 9.737 -3.246 -0.385 291 HA GLU 37 HA GLU 37 10.191 -1.168 1.564 292 1HB GLU 37 2HB GLU 37 12.452 -2.157 1.779 293 2HB GLU 37 1HB GLU 37 11.194 -3.389 1.833 294 1HG GLU 37 2HG GLU 37 11.576 -3.787 -0.627 295 2HG GLU 37 1HG GLU 37 12.948 -2.683 -0.540 296 H ARG 38 H ARG 38 11.372 -1.701 -1.742 297 HA ARG 38 HA ARG 38 13.139 0.615 -1.684 298 1HB ARG 38 2HB ARG 38 12.465 -1.533 -3.538 299 2HB ARG 38 1HB ARG 38 12.571 0.016 -4.370 300 1HG ARG 38 2HG ARG 38 14.818 0.135 -4.105 301 2HG ARG 38 1HG ARG 38 14.734 -0.384 -2.422 302 1HD ARG 38 2HD ARG 38 14.042 -2.655 -3.964 303 2HD ARG 38 1HD ARG 38 15.438 -1.930 -4.761 304 HE ARG 38 HE ARG 38 15.928 -2.024 -1.947 305 1HH1 ARG 38 1HH2 ARG 38 14.641 -4.685 -3.211 306 2HH1 ARG 38 2HH2 ARG 38 16.081 -5.647 -3.281 307 1HH2 ARG 38 2HH1 ARG 38 18.210 -2.973 -2.684 308 2HH2 ARG 38 1HH1 ARG 38 18.104 -4.676 -2.984 309 H PHE 39 H PHE 39 9.890 -0.070 -2.955 310 HA PHE 39 HA PHE 39 9.423 2.394 -4.280 311 1HB PHE 39 2HB PHE 39 7.892 0.557 -4.584 312 2HB PHE 39 1HB PHE 39 7.548 0.480 -2.860 313 HD1 PHE 39 HD1 PHE 39 7.154 2.603 -5.902 314 HD2 PHE 39 HD2 PHE 39 5.882 1.840 -1.874 315 HE1 PHE 39 HE1 PHE 39 5.272 4.192 -6.196 316 HE2 PHE 39 HE2 PHE 39 3.999 3.429 -2.168 317 HZ PHE 39 HZ PHE 39 3.697 4.603 -4.327 318 H VAL 40 H VAL 40 8.071 1.546 -1.066 319 HA VAL 40 HA VAL 40 7.326 4.129 -0.272 320 HB VAL 40 HB VAL 40 8.442 1.941 1.517 321 1HG1 VAL 40 1HG1 VAL 40 8.190 4.244 2.535 322 2HG1 VAL 40 3HG1 VAL 40 6.467 4.142 2.177 323 3HG1 VAL 40 2HG1 VAL 40 7.202 2.997 3.298 324 1HG2 VAL 40 1HG2 VAL 40 5.860 2.302 0.089 325 2HG2 VAL 40 3HG2 VAL 40 6.663 0.820 0.607 326 3HG2 VAL 40 2HG2 VAL 40 5.748 1.780 1.770 327 H GLN 41 H GLN 41 10.457 2.523 0.216 328 HA GLN 41 HA GLN 41 11.794 4.404 1.776 329 1HB GLN 41 2HB GLN 41 12.631 2.428 -0.276 330 2HB GLN 41 1HB GLN 41 13.818 3.659 0.164 331 1HG GLN 41 2HG GLN 41 12.310 1.996 2.197 332 2HG GLN 41 1HG GLN 41 13.909 1.572 1.588 333 1HE2 GLN 41 2HE2 GLN 41 13.516 4.558 4.324 334 2HE2 GLN 41 1HE2 GLN 41 12.152 3.762 3.700 335 H GLU 42 H GLU 42 11.371 4.561 -1.786 336 HA GLU 42 HA GLU 42 12.295 7.405 -1.601 337 1HB GLU 42 2HB GLU 42 12.969 5.314 -3.674 338 2HB GLU 42 1HB GLU 42 13.180 7.038 -3.971 339 1HG GLU 42 2HG GLU 42 15.089 7.084 -2.772 340 2HG GLU 42 1HG GLU 42 14.308 6.313 -1.393 341 H VAL 43 H VAL 43 9.518 6.412 -1.568 342 HA VAL 43 HA VAL 43 8.566 8.016 -3.849 343 HB VAL 43 HB VAL 43 7.586 5.168 -3.480 344 1HG1 VAL 43 1HG1 VAL 43 6.656 7.527 -5.002 345 2HG1 VAL 43 3HG1 VAL 43 6.783 6.048 -5.956 346 3HG1 VAL 43 2HG1 VAL 43 5.772 6.083 -4.512 347 1HG2 VAL 43 1HG2 VAL 43 9.413 6.435 -5.546 348 2HG2 VAL 43 3HG2 VAL 43 9.816 5.129 -4.433 349 3HG2 VAL 43 2HG2 VAL 43 8.665 4.850 -5.739 350 H LEU 44 H LEU 44 7.674 6.148 -0.918 351 HA LEU 44 HA LEU 44 5.034 7.292 -0.746 352 1HB LEU 44 2HB LEU 44 5.857 5.220 0.476 353 2HB LEU 44 1HB LEU 44 6.658 6.305 1.608 354 HG LEU 44 HG LEU 44 4.450 7.429 2.003 355 1HD1 LEU 44 3HD1 LEU 44 3.551 5.192 0.177 356 2HD1 LEU 44 2HD1 LEU 44 2.446 5.982 1.302 357 3HD1 LEU 44 1HD1 LEU 44 3.223 6.918 0.026 358 1HD2 LEU 44 2HD2 LEU 44 5.367 5.570 3.446 359 2HD2 LEU 44 1HD2 LEU 44 3.607 5.695 3.469 360 3HD2 LEU 44 3HD2 LEU 44 4.390 4.440 2.508 361 HA PRO 45 HA PRO 45 6.909 10.460 2.237 362 1HB PRO 45 2HB PRO 45 9.617 10.898 2.194 363 2HB PRO 45 1HB PRO 45 8.823 9.814 3.349 364 1HG PRO 45 2HG PRO 45 10.446 9.140 0.946 365 2HG PRO 45 1HG PRO 45 10.195 8.207 2.431 366 1HD PRO 45 2HD PRO 45 8.925 7.729 -0.031 367 2HD PRO 45 1HD PRO 45 8.427 7.080 1.541 368 H LYS 46 H LYS 46 8.291 9.837 -0.918 369 HA LYS 46 HA LYS 46 9.153 12.397 -1.705 370 1HB LYS 46 2HB LYS 46 8.042 10.009 -3.127 371 2HB LYS 46 1HB LYS 46 8.251 11.511 -4.029 372 1HG LYS 46 2HG LYS 46 10.513 10.633 -2.295 373 2HG LYS 46 1HG LYS 46 10.236 9.735 -3.787 374 1HD LYS 46 2HD LYS 46 10.652 11.578 -5.137 375 2HD LYS 46 1HD LYS 46 10.233 12.729 -3.868 376 1HE LYS 46 2HE LYS 46 12.547 12.924 -3.859 377 2HE LYS 46 1HE LYS 46 12.329 11.657 -2.653 378 1HZ LYS 46 3HZ LYS 46 12.597 10.903 -5.478 379 2HZ LYS 46 2HZ LYS 46 13.992 11.339 -4.611 380 3HZ LYS 46 1HZ LYS 46 13.033 10.039 -4.085 381 H TYR 47 H TYR 47 5.914 11.195 -1.189 382 HA TYR 47 HA TYR 47 4.815 13.720 -2.352 383 1HB TYR 47 2HB TYR 47 3.532 11.016 -1.884 384 2HB TYR 47 1HB TYR 47 2.625 12.455 -2.352 385 HD1 TYR 47 HD2 TYR 47 5.520 10.314 -3.385 386 HD2 TYR 47 HD1 TYR 47 2.477 13.092 -4.615 387 HE1 TYR 47 HE2 TYR 47 6.126 9.932 -5.757 388 HE2 TYR 47 HE1 TYR 47 3.087 12.706 -6.988 389 HH TYR 47 HH TYR 47 5.898 11.343 -7.967 390 H PHE 48 H PHE 48 4.079 11.397 0.295 391 HA PHE 48 HA PHE 48 2.893 13.602 1.864 392 1HB PHE 48 2HB PHE 48 3.153 10.625 2.367 393 2HB PHE 48 1HB PHE 48 2.461 11.743 3.540 394 HD1 PHE 48 HD1 PHE 48 0.869 13.595 2.017 395 HD2 PHE 48 HD2 PHE 48 1.448 9.386 1.370 396 HE1 PHE 48 HE1 PHE 48 -1.307 13.477 0.835 397 HE2 PHE 48 HE2 PHE 48 -0.729 9.270 0.188 398 HZ PHE 48 HZ PHE 48 -2.105 11.315 -0.080 399 H LYS 49 H LYS 49 3.564 13.148 4.418 400 HA LYS 49 HA LYS 49 6.549 13.129 4.503 401 1HB LYS 49 2HB LYS 49 4.639 15.222 5.502 402 2HB LYS 49 1HB LYS 49 6.169 14.967 6.342 403 1HG LYS 49 2HG LYS 49 6.049 15.332 3.348 404 2HG LYS 49 1HG LYS 49 6.164 16.709 4.445 405 1HD LYS 49 2HD LYS 49 8.076 14.515 4.990 406 2HD LYS 49 1HD LYS 49 8.327 15.360 3.462 407 1HE LYS 49 2HE LYS 49 7.965 17.505 5.000 408 2HE LYS 49 1HE LYS 49 8.520 16.401 6.258 409 1HZ LYS 49 1HZ LYS 49 10.378 15.854 4.607 410 2HZ LYS 49 3HZ LYS 49 9.939 17.297 3.832 411 3HZ LYS 49 2HZ LYS 49 10.464 17.328 5.447 412 H HIS 50 H HIS 50 7.286 11.753 6.020 413 HA HIS 50 HA HIS 50 7.333 10.305 7.853 414 1HB HIS 50 2HB HIS 50 5.550 12.524 8.834 415 2HB HIS 50 1HB HIS 50 5.836 11.099 9.830 416 HD1 HIS 50 HD1 HIS 50 7.125 14.340 9.489 417 HD2 HIS 50 HD2 HIS 50 8.945 10.595 9.702 418 HE1 HIS 50 HE1 HIS 50 9.522 14.745 10.202 419 H SER 51 H SER 51 5.882 9.263 5.859 420 HA SER 51 HA SER 51 3.345 8.292 7.110 421 1HB SER 51 2HB SER 51 4.104 8.999 4.370 422 2HB SER 51 1HB SER 51 3.359 7.406 4.471 423 HG SER 51 HG SER 51 1.654 8.728 4.371 424 H ASN 52 H ASN 52 2.983 5.895 5.877 425 HA ASN 52 HA ASN 52 5.430 4.309 5.818 426 1HB ASN 52 2HB ASN 52 4.743 2.840 7.742 427 2HB ASN 52 1HB ASN 52 5.248 4.459 8.218 428 1HD2 ASN 52 2HD2 ASN 52 1.689 3.281 9.443 429 2HD2 ASN 52 1HD2 ASN 52 2.992 2.262 9.067 430 H PHE 53 H PHE 53 4.668 1.837 5.897 431 HA PHE 53 HA PHE 53 3.057 1.393 3.601 432 1HB PHE 53 2HB PHE 53 3.082 -0.782 5.653 433 2HB PHE 53 1HB PHE 53 3.343 -0.880 3.918 434 HD1 PHE 53 HD1 PHE 53 5.573 0.251 3.040 435 HD2 PHE 53 HD2 PHE 53 4.885 -0.971 7.100 436 HE1 PHE 53 HE1 PHE 53 8.022 0.180 3.436 437 HE2 PHE 53 HE2 PHE 53 7.331 -1.038 7.496 438 HZ PHE 53 HZ PHE 53 8.900 -0.462 5.665 439 H ALA 54 H ALA 54 2.180 1.229 7.050 440 HA ALA 54 HA ALA 54 -0.503 0.335 6.664 441 1HB ALA 54 1HB ALA 54 1.012 0.682 8.846 442 2HB ALA 54 3HB ALA 54 0.089 2.183 8.927 443 3HB ALA 54 2HB ALA 54 -0.749 0.631 8.931 444 H SER 55 H SER 55 0.935 3.542 6.459 445 HA SER 55 HA SER 55 -1.562 4.997 6.579 446 1HB SER 55 2HB SER 55 0.690 6.022 6.980 447 2HB SER 55 1HB SER 55 1.035 5.839 5.263 448 HG SER 55 HG SER 55 -0.088 7.867 6.320 449 H PHE 56 H PHE 56 0.497 3.899 3.881 450 HA PHE 56 HA PHE 56 -1.137 4.936 1.782 451 1HB PHE 56 2HB PHE 56 1.212 4.087 1.520 452 2HB PHE 56 1HB PHE 56 0.601 2.447 1.717 453 HD1 PHE 56 HD2 PHE 56 -0.863 5.359 -0.134 454 HD2 PHE 56 HD1 PHE 56 0.822 1.419 -0.377 455 HE1 PHE 56 HE2 PHE 56 -1.406 5.278 -2.554 456 HE2 PHE 56 HE1 PHE 56 0.280 1.335 -2.795 457 HZ PHE 56 HZ PHE 56 -0.833 3.265 -3.885 458 H VAL 57 H VAL 57 -1.249 1.947 3.618 459 HA VAL 57 HA VAL 57 -3.327 0.728 1.974 460 HB VAL 57 HB VAL 57 -2.466 -0.006 4.792 461 1HG1 VAL 57 2HG1 VAL 57 -4.648 -0.919 3.635 462 2HG1 VAL 57 1HG1 VAL 57 -3.514 -1.895 2.704 463 3HG1 VAL 57 3HG1 VAL 57 -3.565 -2.038 4.459 464 1HG2 VAL 57 1HG2 VAL 57 -0.753 0.064 2.709 465 2HG2 VAL 57 3HG2 VAL 57 -0.688 -1.193 3.941 466 3HG2 VAL 57 2HG2 VAL 57 -1.495 -1.505 2.405 467 H ARG 58 H ARG 58 -3.233 2.928 4.685 468 HA ARG 58 HA ARG 58 -5.938 2.420 5.608 469 1HB ARG 58 2HB ARG 58 -3.752 4.286 6.235 470 2HB ARG 58 1HB ARG 58 -5.347 5.023 6.365 471 1HG ARG 58 2HG ARG 58 -6.077 3.151 7.820 472 2HG ARG 58 1HG ARG 58 -4.455 2.462 7.724 473 1HD ARG 58 2HD ARG 58 -3.491 4.296 8.891 474 2HD ARG 58 1HD ARG 58 -4.934 5.289 8.678 475 HE ARG 58 HE ARG 58 -6.082 3.709 10.272 476 1HH1 ARG 58 1HH2 ARG 58 -3.646 1.781 10.120 477 2HH1 ARG 58 2HH2 ARG 58 -2.953 2.048 11.684 478 1HH2 ARG 58 2HH1 ARG 58 -4.757 4.945 12.286 479 2HH2 ARG 58 1HH1 ARG 58 -3.581 3.836 12.908 480 H GLN 59 H GLN 59 -4.450 4.584 3.246 481 HA GLN 59 HA GLN 59 -6.884 6.117 2.771 482 1HB GLN 59 2HB GLN 59 -4.256 5.839 1.300 483 2HB GLN 59 1HB GLN 59 -5.578 6.815 0.664 484 1HG GLN 59 2HG GLN 59 -4.646 7.209 3.497 485 2HG GLN 59 1HG GLN 59 -3.767 7.961 2.165 486 1HE2 GLN 59 2HE2 GLN 59 -6.130 10.593 2.798 487 2HE2 GLN 59 1HE2 GLN 59 -4.572 10.051 3.198 488 H LEU 60 H LEU 60 -5.124 3.606 0.952 489 HA LEU 60 HA LEU 60 -6.996 3.330 -1.171 490 1HB LEU 60 2HB LEU 60 -5.053 1.354 0.046 491 2HB LEU 60 1HB LEU 60 -5.935 1.061 -1.445 492 HG LEU 60 HG LEU 60 -4.200 3.501 -1.025 493 1HD1 LEU 60 2HD1 LEU 60 -3.513 0.713 -1.824 494 2HD1 LEU 60 1HD1 LEU 60 -2.772 2.017 -2.753 495 3HD1 LEU 60 3HD1 LEU 60 -2.523 1.926 -1.010 496 1HD2 LEU 60 3HD2 LEU 60 -5.475 2.171 -3.433 497 2HD2 LEU 60 2HD2 LEU 60 -5.815 3.781 -2.795 498 3HD2 LEU 60 1HD2 LEU 60 -4.261 3.445 -3.559 499 H ASN 61 H ASN 61 -6.949 1.944 2.062 500 HA ASN 61 HA ASN 61 -9.034 -0.015 1.531 501 1HB ASN 61 2HB ASN 61 -7.307 -0.182 3.374 502 2HB ASN 61 1HB ASN 61 -8.186 1.093 4.218 503 1HD2 ASN 61 2HD2 ASN 61 -10.255 -2.421 3.638 504 2HD2 ASN 61 1HD2 ASN 61 -9.270 -1.830 2.388 505 H MET 62 H MET 62 -8.943 3.178 3.113 506 HA MET 62 HA MET 62 -11.714 3.242 3.828 507 1HB MET 62 2HB MET 62 -9.449 4.966 4.038 508 2HB MET 62 1HB MET 62 -10.742 5.899 3.290 509 1HG MET 62 2HG MET 62 -10.984 6.146 5.671 510 2HG MET 62 1HG MET 62 -12.272 5.070 5.132 511 1HE MET 62 3HE MET 62 -11.971 5.303 7.737 512 2HE MET 62 2HE MET 62 -12.579 3.650 7.700 513 3HE MET 62 1HE MET 62 -11.179 4.044 8.695 514 H TYR 63 H TYR 63 -10.152 3.624 0.758 515 HA TYR 63 HA TYR 63 -12.429 5.124 -0.381 516 1HB TYR 63 2HB TYR 63 -9.750 4.232 -1.428 517 2HB TYR 63 1HB TYR 63 -11.011 4.787 -2.532 518 HD1 TYR 63 HD2 TYR 63 -12.334 6.964 -1.350 519 HD2 TYR 63 HD1 TYR 63 -8.191 5.897 -0.954 520 HE1 TYR 63 HE2 TYR 63 -11.783 9.315 -0.788 521 HE2 TYR 63 HE1 TYR 63 -7.641 8.248 -0.391 522 HH TYR 63 HH TYR 63 -9.880 10.812 -0.816 523 H GLY 64 H GLY 64 -10.877 1.921 -0.750 524 1HA GLY 64 2HA GLY 64 -13.012 0.275 -0.924 525 2HA GLY 64 1HA GLY 64 -13.072 1.036 -2.513 526 H TRP 65 H TRP 65 -9.981 1.202 -2.379 527 HA TRP 65 HA TRP 65 -9.371 -1.053 -3.973 528 1HB TRP 65 2HB TRP 65 -7.672 0.762 -2.262 529 2HB TRP 65 1HB TRP 65 -6.951 -0.586 -3.136 530 HD1 TRP 65 HD1 TRP 65 -9.148 2.515 -3.857 531 HE1 TRP 65 HE1 TRP 65 -8.562 3.376 -6.217 532 HE3 TRP 65 HE3 TRP 65 -5.822 -1.078 -5.314 533 HZ2 TRP 65 HZ2 TRP 65 -6.910 2.639 -8.428 534 HZ3 TRP 65 HZ3 TRP 65 -4.759 -0.974 -7.551 535 HH2 TRP 65 HH2 TRP 65 -5.299 0.878 -9.109 536 H HIS 66 H HIS 66 -9.450 -3.167 -3.378 537 HA HIS 66 HA HIS 66 -8.689 -3.873 -0.571 538 1HB HIS 66 2HB HIS 66 -10.646 -5.135 -2.500 539 2HB HIS 66 1HB HIS 66 -10.035 -6.005 -1.093 540 HD1 HIS 66 HD1 HIS 66 -10.172 -4.257 1.197 541 HD2 HIS 66 HD2 HIS 66 -13.007 -3.883 -1.837 542 HE1 HIS 66 HE1 HIS 66 -12.155 -3.052 2.213 543 H LYS 67 H LYS 67 -7.400 -5.811 -0.310 544 HA LYS 67 HA LYS 67 -5.409 -6.138 -2.411 545 1HB LYS 67 2HB LYS 67 -5.753 -6.948 0.396 546 2HB LYS 67 1HB LYS 67 -4.944 -8.169 -0.586 547 1HG LYS 67 2HG LYS 67 -3.628 -5.994 -1.464 548 2HG LYS 67 1HG LYS 67 -4.039 -5.429 0.155 549 1HD LYS 67 2HD LYS 67 -2.689 -8.081 -0.431 550 2HD LYS 67 1HD LYS 67 -1.834 -6.617 0.058 551 1HE LYS 67 2HE LYS 67 -3.649 -6.659 2.016 552 2HE LYS 67 1HE LYS 67 -3.631 -8.385 1.657 553 1HZ LYS 67 1HZ LYS 67 -1.082 -8.072 1.740 554 2HZ LYS 67 3HZ LYS 67 -1.445 -6.669 2.623 555 3HZ LYS 67 2HZ LYS 67 -1.952 -8.186 3.195 556 H VAL 68 H VAL 68 -4.807 -8.369 -3.199 557 HA VAL 68 HA VAL 68 -7.285 -9.848 -3.939 558 HB VAL 68 HB VAL 68 -5.881 -8.979 -5.789 559 1HG1 VAL 68 3HG1 VAL 68 -3.747 -9.739 -4.172 560 2HG1 VAL 68 2HG1 VAL 68 -3.722 -10.931 -5.471 561 3HG1 VAL 68 1HG1 VAL 68 -3.635 -9.212 -5.852 562 1HG2 VAL 68 2HG2 VAL 68 -7.201 -11.090 -6.036 563 2HG2 VAL 68 1HG2 VAL 68 -5.768 -11.056 -7.063 564 3HG2 VAL 68 3HG2 VAL 68 -5.764 -12.003 -5.576 565 H GLN 69 H GLN 69 -7.640 -11.819 -3.049 566 HA GLN 69 HA GLN 69 -5.323 -13.213 -1.763 567 1HB GLN 69 2HB GLN 69 -8.121 -12.719 -0.868 568 2HB GLN 69 1HB GLN 69 -7.430 -14.295 -0.481 569 1HG GLN 69 2HG GLN 69 -5.779 -13.396 0.878 570 2HG GLN 69 1HG GLN 69 -5.782 -11.847 0.034 571 1HE2 GLN 69 2HE2 GLN 69 -7.467 -11.097 3.201 572 2HE2 GLN 69 1HE2 GLN 69 -5.896 -11.394 2.631 573 H ASP 70 H ASP 70 -8.419 -13.694 -3.474 574 HA ASP 70 HA ASP 70 -9.135 -15.451 -4.854 575 1HB ASP 70 2HB ASP 70 -6.441 -15.047 -5.467 576 2HB ASP 70 1HB ASP 70 -6.537 -16.780 -5.163 577 H VAL 71 H VAL 71 -8.594 -18.082 -5.019 578 HA VAL 71 HA VAL 71 -9.278 -19.057 -2.351 579 HB VAL 71 HB VAL 71 -8.692 -20.691 -4.836 580 1HG1 VAL 71 3HG1 VAL 71 -10.231 -21.195 -2.275 581 2HG1 VAL 71 2HG1 VAL 71 -10.346 -22.238 -3.692 582 3HG1 VAL 71 1HG1 VAL 71 -8.804 -22.055 -2.853 583 1HG2 VAL 71 2HG2 VAL 71 -11.096 -19.092 -4.005 584 2HG2 VAL 71 1HG2 VAL 71 -10.412 -19.323 -5.614 585 3HG2 VAL 71 3HG2 VAL 71 -11.339 -20.618 -4.856 586 H LYS 72 H LYS 72 -6.319 -18.482 -3.944 587 HA LYS 72 HA LYS 72 -4.942 -20.588 -2.344 588 1HB LYS 72 2HB LYS 72 -2.975 -20.040 -3.848 589 2HB LYS 72 1HB LYS 72 -4.360 -20.752 -4.672 590 1HG LYS 72 2HG LYS 72 -4.995 -18.712 -5.647 591 2HG LYS 72 1HG LYS 72 -4.100 -17.759 -4.464 592 1HD LYS 72 2HD LYS 72 -2.449 -17.632 -6.005 593 2HD LYS 72 1HD LYS 72 -2.127 -19.329 -5.654 594 1HE LYS 72 2HE LYS 72 -4.184 -18.443 -7.691 595 2HE LYS 72 1HE LYS 72 -2.502 -18.770 -8.112 596 1HZ LYS 72 2HZ LYS 72 -4.186 -20.732 -6.668 597 2HZ LYS 72 1HZ LYS 72 -4.113 -20.673 -8.364 598 3HZ LYS 72 3HZ LYS 72 -2.711 -21.001 -7.468 599 H SER 73 H SER 73 -3.483 -19.997 -0.774 600 HA SER 73 HA SER 73 -3.563 -17.291 0.250 601 1HB SER 73 2HB SER 73 -1.596 -18.262 1.690 602 2HB SER 73 1HB SER 73 -3.224 -18.892 1.924 603 HG SER 73 HG SER 73 -1.926 -20.647 1.655 604 H GLY 74 H GLY 74 -1.154 -19.198 -1.534 605 1HA GLY 74 2HA GLY 74 0.255 -16.640 -2.159 606 2HA GLY 74 1HA GLY 74 1.169 -18.079 -1.705 607 H SER 75 H SER 75 2.012 -19.092 -3.459 608 HA SER 75 HA SER 75 0.323 -19.775 -5.742 609 1HB SER 75 2HB SER 75 1.980 -18.635 -7.360 610 2HB SER 75 1HB SER 75 0.808 -17.603 -6.548 611 HG SER 75 HG SER 75 2.386 -16.665 -5.520 612 H MET 76 H MET 76 2.077 -21.072 -3.721 613 HA MET 76 HA MET 76 3.331 -23.063 -3.742 614 1HB MET 76 2HB MET 76 2.509 -23.187 -6.254 615 2HB MET 76 1HB MET 76 4.169 -22.702 -6.601 616 1HG MET 76 2HG MET 76 4.132 -25.106 -6.592 617 2HG MET 76 1HG MET 76 4.929 -24.600 -5.101 618 1HE MET 76 2HE MET 76 1.867 -25.526 -6.905 619 2HE MET 76 1HE MET 76 0.780 -26.322 -5.770 620 3HE MET 76 3HE MET 76 0.869 -24.556 -5.824 621 H LEU 77 H LEU 77 4.978 -20.893 -6.074 622 HA LEU 77 HA LEU 77 7.592 -21.302 -5.078 623 1HB LEU 77 2HB LEU 77 6.315 -19.632 -7.009 624 2HB LEU 77 1HB LEU 77 7.318 -18.589 -6.006 625 HG LEU 77 HG LEU 77 8.592 -19.452 -7.926 626 1HD1 LEU 77 2HD1 LEU 77 9.591 -19.147 -5.556 627 2HD1 LEU 77 1HD1 LEU 77 9.611 -20.909 -5.494 628 3HD1 LEU 77 3HD1 LEU 77 10.531 -20.059 -6.737 629 1HD2 LEU 77 2HD2 LEU 77 7.160 -21.663 -7.854 630 2HD2 LEU 77 1HD2 LEU 77 8.829 -21.720 -8.424 631 3HD2 LEU 77 3HD2 LEU 77 8.441 -22.223 -6.779 632 H SER 78 H SER 78 8.729 -20.407 -3.363 633 HA SER 78 HA SER 78 7.248 -19.155 -1.235 634 1HB SER 78 2HB SER 78 10.239 -19.458 -1.645 635 2HB SER 78 1HB SER 78 9.489 -18.904 -0.151 636 HG SER 78 HG SER 78 9.988 -21.248 -0.399 637 H ASN 79 H ASN 79 10.239 -17.433 -1.795 638 HA ASN 79 HA ASN 79 10.603 -15.153 -2.185 639 1HB ASN 79 2HB ASN 79 8.936 -16.200 -4.342 640 2HB ASN 79 1HB ASN 79 8.665 -14.476 -4.093 641 1HD2 ASN 79 2HD2 ASN 79 12.039 -15.680 -5.906 642 2HD2 ASN 79 1HD2 ASN 79 10.747 -16.730 -5.580 643 H ASN 80 H ASN 80 8.525 -15.973 -0.163 644 HA ASN 80 HA ASN 80 6.490 -13.860 -0.320 645 1HB ASN 80 2HB ASN 80 6.059 -16.157 0.643 646 2HB ASN 80 1HB ASN 80 7.103 -15.718 1.994 647 1HD2 ASN 80 2HD2 ASN 80 3.300 -14.327 1.864 648 2HD2 ASN 80 1HD2 ASN 80 3.907 -15.368 0.668 649 H ASP 81 H ASP 81 8.205 -12.132 -0.373 650 HA ASP 81 HA ASP 81 8.950 -11.374 2.415 651 1HB ASP 81 2HB ASP 81 11.109 -10.530 1.628 652 2HB ASP 81 1HB ASP 81 10.949 -12.238 1.236 653 H SER 82 H SER 82 7.397 -10.413 -0.473 654 HA SER 82 HA SER 82 6.619 -7.877 0.556 655 1HB SER 82 2HB SER 82 7.909 -6.409 -1.028 656 2HB SER 82 1HB SER 82 8.910 -7.162 0.208 657 HG SER 82 HG SER 82 9.781 -7.333 -1.930 658 H ARG 83 H ARG 83 7.161 -9.889 -2.304 659 HA ARG 83 HA ARG 83 5.735 -8.596 -4.289 660 1HB ARG 83 2HB ARG 83 6.249 -11.429 -3.609 661 2HB ARG 83 1HB ARG 83 4.896 -11.156 -4.705 662 1HG ARG 83 2HG ARG 83 7.363 -9.606 -5.282 663 2HG ARG 83 1HG ARG 83 7.465 -11.347 -5.548 664 1HD ARG 83 2HD ARG 83 5.066 -9.884 -6.584 665 2HD ARG 83 1HD ARG 83 6.586 -9.738 -7.465 666 HE ARG 83 HE ARG 83 6.218 -11.924 -8.242 667 1HH1 ARG 83 2HH1 ARG 83 6.556 -13.393 -5.764 668 2HH1 ARG 83 1HH1 ARG 83 4.993 -14.079 -5.468 669 1HH2 ARG 83 1HH2 ARG 83 3.350 -11.943 -7.649 670 2HH2 ARG 83 2HH2 ARG 83 3.178 -13.258 -6.535 671 H TRP 84 H TRP 84 3.808 -7.628 -4.182 672 HA TRP 84 HA TRP 84 1.430 -9.124 -3.525 673 1HB TRP 84 2HB TRP 84 0.605 -7.826 -1.671 674 2HB TRP 84 1HB TRP 84 2.206 -8.410 -1.247 675 HD1 TRP 84 HD1 TRP 84 3.496 -6.011 -3.245 676 HE1 TRP 84 HE1 TRP 84 3.743 -3.674 -2.171 677 HE3 TRP 84 HE3 TRP 84 0.252 -6.496 0.657 678 HZ2 TRP 84 HZ2 TRP 84 2.693 -2.210 0.046 679 HZ3 TRP 84 HZ3 TRP 84 -0.110 -4.618 2.237 680 HH2 TRP 84 HH2 TRP 84 1.107 -2.479 1.937 681 H GLU 85 H GLU 85 -0.478 -8.096 -4.350 682 HA GLU 85 HA GLU 85 0.140 -5.684 -6.014 683 1HB GLU 85 2HB GLU 85 -1.810 -7.924 -6.623 684 2HB GLU 85 1HB GLU 85 -1.458 -6.543 -7.661 685 1HG GLU 85 2HG GLU 85 0.057 -7.974 -8.599 686 2HG GLU 85 1HG GLU 85 1.059 -7.475 -7.236 687 H PHE 86 H PHE 86 -1.948 -4.530 -6.680 688 HA PHE 86 HA PHE 86 -3.899 -4.454 -4.421 689 1HB PHE 86 2HB PHE 86 -2.400 -2.188 -5.736 690 2HB PHE 86 1HB PHE 86 -3.969 -1.909 -4.980 691 HD1 PHE 86 HD2 PHE 86 -0.702 -3.611 -4.254 692 HD2 PHE 86 HD1 PHE 86 -4.018 -1.358 -2.715 693 HE1 PHE 86 HE2 PHE 86 0.386 -3.528 -2.032 694 HE2 PHE 86 HE1 PHE 86 -2.925 -1.273 -0.489 695 HZ PHE 86 HZ PHE 86 -0.723 -2.359 -0.147 696 H GLU 87 H GLU 87 -6.041 -4.166 -5.089 697 HA GLU 87 HA GLU 87 -6.553 -3.557 -7.945 698 1HB GLU 87 2HB GLU 87 -8.100 -5.522 -8.098 699 2HB GLU 87 1HB GLU 87 -6.408 -5.986 -7.914 700 1HG GLU 87 2HG GLU 87 -6.692 -6.642 -5.687 701 2HG GLU 87 1HG GLU 87 -8.135 -5.651 -5.477 702 H ASN 88 H ASN 88 -8.770 -2.921 -8.333 703 HA ASN 88 HA ASN 88 -10.593 -2.637 -6.048 704 1HB ASN 88 2HB ASN 88 -9.016 -0.670 -5.889 705 2HB ASN 88 1HB ASN 88 -9.600 -0.151 -7.471 706 1HD2 ASN 88 2HD2 ASN 88 -12.038 1.681 -5.656 707 2HD2 ASN 88 1HD2 ASN 88 -10.646 1.776 -6.622 708 H GLU 89 H GLU 89 -12.085 -3.790 -7.291 709 HA GLU 89 HA GLU 89 -13.717 -2.313 -9.123 710 1HB GLU 89 2HB GLU 89 -11.725 -2.711 -10.605 711 2HB GLU 89 1HB GLU 89 -12.003 -4.443 -10.440 712 1HG GLU 89 2HG GLU 89 -14.223 -4.221 -11.436 713 2HG GLU 89 1HG GLU 89 -14.038 -2.467 -11.516 714 H ARG 90 H ARG 90 -12.659 -5.738 -9.089 715 HA ARG 90 HA ARG 90 -15.495 -6.521 -8.730 716 1HB ARG 90 2HB ARG 90 -14.772 -8.773 -9.346 717 2HB ARG 90 1HB ARG 90 -14.160 -7.617 -10.526 718 1HG ARG 90 2HG ARG 90 -12.021 -7.585 -9.008 719 2HG ARG 90 1HG ARG 90 -12.655 -9.106 -8.384 720 1HD ARG 90 2HD ARG 90 -12.245 -8.540 -11.332 721 2HD ARG 90 1HD ARG 90 -11.069 -9.381 -10.322 722 HE ARG 90 HE ARG 90 -13.104 -10.984 -9.865 723 1HH1 ARG 90 2HH1 ARG 90 -14.657 -9.453 -12.043 724 2HH1 ARG 90 1HH1 ARG 90 -14.444 -10.518 -13.392 725 1HH2 ARG 90 1HH2 ARG 90 -11.854 -12.293 -11.922 726 2HH2 ARG 90 2HH2 ARG 90 -12.858 -12.126 -13.323 727 H HIS 91 H HIS 91 -16.245 -7.062 -6.755 728 HA HIS 91 HA HIS 91 -14.288 -7.515 -4.566 729 1HB HIS 91 2HB HIS 91 -16.122 -5.815 -4.291 730 2HB HIS 91 1HB HIS 91 -17.291 -7.131 -4.388 731 HD1 HIS 91 HD1 HIS 91 -14.100 -7.884 -2.633 732 HD2 HIS 91 HD2 HIS 91 -17.935 -6.614 -1.601 733 HE1 HIS 91 HE1 HIS 91 -14.298 -8.169 -0.127 734 H ALA 92 HN ALA 92 -16.971 -9.065 -6.262 735 HA ALA 92 HA ALA 92 -17.698 -11.292 -6.286 736 1HB ALA 92 2HB ALA 92 -14.804 -11.397 -5.688 737 2HB ALA 92 1HB ALA 92 -15.706 -12.841 -5.229 738 3HB ALA 92 3HB ALA 92 -15.735 -12.275 -6.900 No H/Q in entry = 738 Start of MODEL 22 Raw file had 756 H/Q atoms Start of MODEL 22 1 1H ALA 1 1H ALA 1 -15.241 16.059 -8.235 2 2H ALA 1 3H ALA 1 -16.547 14.978 -8.206 3 3H ALA 1 2H ALA 1 -16.815 16.636 -7.956 4 HA ALA 1 HA ALA 1 -15.645 16.589 -5.882 5 1HB ALA 1 2HB ALA 1 -18.077 15.898 -6.000 6 2HB ALA 1 1HB ALA 1 -17.532 14.220 -6.005 7 3HB ALA 1 3HB ALA 1 -17.201 15.251 -4.614 8 H ARG 2 H ARG 2 -13.483 15.726 -6.888 9 HA ARG 2 HA ARG 2 -13.003 12.932 -5.940 10 1HB ARG 2 2HB ARG 2 -11.513 14.618 -7.973 11 2HB ARG 2 1HB ARG 2 -10.980 13.028 -7.425 12 1HG ARG 2 2HG ARG 2 -13.739 12.809 -8.158 13 2HG ARG 2 1HG ARG 2 -12.906 13.655 -9.461 14 1HD ARG 2 2HD ARG 2 -11.101 11.709 -8.995 15 2HD ARG 2 1HD ARG 2 -12.565 10.863 -8.492 16 HE ARG 2 HE ARG 2 -12.057 11.928 -11.229 17 1HH1 ARG 2 2HH1 ARG 2 -14.883 11.578 -9.746 18 2HH1 ARG 2 1HH1 ARG 2 -15.434 10.167 -10.587 19 1HH2 ARG 2 1HH2 ARG 2 -12.342 9.469 -11.990 20 2HH2 ARG 2 2HH2 ARG 2 -13.996 8.975 -11.857 21 HA PRO 3 HA PRO 3 -10.342 14.863 -3.034 22 1HB PRO 3 2HB PRO 3 -9.097 12.666 -1.971 23 2HB PRO 3 1HB PRO 3 -10.774 13.110 -1.606 24 1HG PRO 3 2HG PRO 3 -9.747 10.919 -3.327 25 2HG PRO 3 1HG PRO 3 -11.290 11.040 -2.466 26 1HD PRO 3 2HD PRO 3 -10.878 11.484 -5.235 27 2HD PRO 3 1HD PRO 3 -12.342 11.872 -4.313 28 H ALA 4 H ALA 4 -8.087 15.316 -2.589 29 HA ALA 4 HA ALA 4 -6.386 15.305 -4.894 30 1HB ALA 4 2HB ALA 4 -5.877 15.910 -1.976 31 2HB ALA 4 1HB ALA 4 -4.627 16.067 -3.209 32 3HB ALA 4 3HB ALA 4 -6.085 17.057 -3.299 33 H PHE 5 H PHE 5 -6.985 12.869 -2.523 34 HA PHE 5 HA PHE 5 -4.356 11.621 -2.671 35 1HB PHE 5 2HB PHE 5 -5.869 11.294 -0.719 36 2HB PHE 5 1HB PHE 5 -7.000 10.436 -1.763 37 HD1 PHE 5 HD2 PHE 5 -3.492 10.377 -0.478 38 HD2 PHE 5 HD1 PHE 5 -6.689 8.138 -2.279 39 HE1 PHE 5 HE2 PHE 5 -2.202 8.281 -0.168 40 HE2 PHE 5 HE1 PHE 5 -5.396 6.045 -1.971 41 HZ PHE 5 HZ PHE 5 -3.153 6.115 -0.917 42 H VAL 6 H VAL 6 -7.576 10.889 -4.083 43 HA VAL 6 HA VAL 6 -6.717 8.642 -5.629 44 HB VAL 6 HB VAL 6 -8.932 10.611 -6.291 45 1HG1 VAL 6 1HG1 VAL 6 -8.043 7.990 -7.391 46 2HG1 VAL 6 3HG1 VAL 6 -9.780 8.214 -7.196 47 3HG1 VAL 6 2HG1 VAL 6 -8.854 9.330 -8.200 48 1HG2 VAL 6 1HG2 VAL 6 -8.784 9.263 -3.979 49 2HG2 VAL 6 3HG2 VAL 6 -10.312 9.476 -4.831 50 3HG2 VAL 6 2HG2 VAL 6 -9.417 7.965 -4.992 51 H ASN 7 H ASN 7 -6.932 12.114 -6.454 52 HA ASN 7 HA ASN 7 -5.998 11.828 -9.158 53 1HB ASN 7 2HB ASN 7 -5.730 14.179 -7.251 54 2HB ASN 7 1HB ASN 7 -5.476 14.250 -8.994 55 1HD2 ASN 7 1HD2 ASN 7 -7.504 13.231 -10.262 56 2HD2 ASN 7 2HD2 ASN 7 -9.021 13.740 -9.699 57 H LYS 8 H LYS 8 -4.403 12.202 -6.062 58 HA LYS 8 HA LYS 8 -1.723 12.571 -7.031 59 1HB LYS 8 2HB LYS 8 -2.270 13.189 -4.765 60 2HB LYS 8 1HB LYS 8 -2.885 11.580 -4.408 61 1HG LYS 8 2HG LYS 8 -0.152 11.390 -5.330 62 2HG LYS 8 1HG LYS 8 -0.248 12.562 -4.019 63 1HD LYS 8 2HD LYS 8 -0.367 10.869 -2.530 64 2HD LYS 8 1HD LYS 8 -1.881 10.342 -3.263 65 1HE LYS 8 2HE LYS 8 -0.525 9.105 -4.986 66 2HE LYS 8 1HE LYS 8 0.919 9.500 -4.054 67 1HZ LYS 8 3HZ LYS 8 -1.381 8.237 -2.725 68 2HZ LYS 8 2HZ LYS 8 -0.305 7.281 -3.628 69 3HZ LYS 8 1HZ LYS 8 0.262 8.185 -2.305 70 H LEU 9 H LEU 9 -3.769 9.765 -6.630 71 HA LEU 9 HA LEU 9 -1.625 7.804 -6.657 72 1HB LEU 9 2HB LEU 9 -4.023 7.549 -5.723 73 2HB LEU 9 1HB LEU 9 -4.505 7.279 -7.397 74 HG LEU 9 HG LEU 9 -2.847 5.429 -7.543 75 1HD1 LEU 9 1HD1 LEU 9 -2.416 6.193 -4.654 76 2HD1 LEU 9 3HD1 LEU 9 -2.020 4.586 -5.261 77 3HD1 LEU 9 2HD1 LEU 9 -1.208 6.003 -5.925 78 1HD2 LEU 9 2HD2 LEU 9 -5.280 5.137 -6.793 79 2HD2 LEU 9 1HD2 LEU 9 -4.173 3.835 -6.360 80 3HD2 LEU 9 3HD2 LEU 9 -4.651 5.025 -5.149 81 H TRP 10 H TRP 10 -3.670 9.342 -9.097 82 HA TRP 10 HA TRP 10 -3.056 7.534 -11.258 83 1HB TRP 10 2HB TRP 10 -3.853 10.450 -11.333 84 2HB TRP 10 1HB TRP 10 -3.838 9.368 -12.719 85 HD1 TRP 10 HD1 TRP 10 -6.508 10.553 -12.238 86 HE1 TRP 10 HE1 TRP 10 -8.519 9.228 -11.341 87 HE3 TRP 10 HE3 TRP 10 -4.091 6.651 -9.921 88 HZ2 TRP 10 HZ2 TRP 10 -9.052 6.862 -9.860 89 HZ3 TRP 10 HZ3 TRP 10 -5.395 4.892 -8.784 90 HH2 TRP 10 HH2 TRP 10 -7.870 4.988 -8.749 91 H SER 11 H SER 11 -1.024 9.785 -9.671 92 HA SER 11 HA SER 11 0.659 10.053 -12.125 93 1HB SER 11 2HB SER 11 0.147 12.214 -11.284 94 2HB SER 11 1HB SER 11 0.432 11.720 -9.617 95 HG SER 11 HG SER 11 2.339 12.544 -10.030 96 H MET 12 H MET 12 0.678 8.944 -8.769 97 HA MET 12 HA MET 12 3.561 8.457 -8.769 98 1HB MET 12 2HB MET 12 3.196 7.444 -6.581 99 2HB MET 12 1HB MET 12 2.308 8.959 -6.678 100 1HG MET 12 2HG MET 12 0.517 7.756 -5.975 101 2HG MET 12 1HG MET 12 0.453 7.151 -7.628 102 1HE MET 12 1HE MET 12 1.779 6.826 -4.141 103 2HE MET 12 3HE MET 12 2.395 5.176 -3.973 104 3HE MET 12 2HE MET 12 3.302 6.370 -4.900 105 H VAL 13 H VAL 13 0.675 6.633 -9.554 106 HA VAL 13 HA VAL 13 2.031 4.048 -9.517 107 HB VAL 13 HB VAL 13 -0.548 4.656 -10.973 108 1HG1 VAL 13 1HG1 VAL 13 0.903 2.262 -9.944 109 2HG1 VAL 13 3HG1 VAL 13 -0.859 2.235 -9.886 110 3HG1 VAL 13 2HG1 VAL 13 -0.031 2.458 -11.427 111 1HG2 VAL 13 2HG2 VAL 13 -0.180 5.253 -8.286 112 2HG2 VAL 13 1HG2 VAL 13 -1.722 4.860 -9.041 113 3HG2 VAL 13 3HG2 VAL 13 -0.791 3.603 -8.231 114 H ASN 14 H ASN 14 1.483 6.581 -11.881 115 HA ASN 14 HA ASN 14 1.865 5.096 -14.266 116 1HB ASN 14 2HB ASN 14 2.235 7.956 -13.484 117 2HB ASN 14 1HB ASN 14 2.949 7.421 -15.006 118 1HD2 ASN 14 2HD2 ASN 14 -1.096 6.751 -14.760 119 2HD2 ASN 14 1HD2 ASN 14 -0.093 6.286 -13.472 120 H ASP 15 H ASP 15 4.490 7.344 -13.420 121 HA ASP 15 HA ASP 15 6.519 5.553 -12.681 122 1HB ASP 15 2HB ASP 15 7.712 5.258 -14.903 123 2HB ASP 15 1HB ASP 15 6.253 4.293 -14.713 124 H LYS 16 H LYS 16 5.642 8.439 -14.490 125 HA LYS 16 HA LYS 16 8.051 9.701 -14.990 126 1HB LYS 16 2HB LYS 16 5.573 10.540 -15.206 127 2HB LYS 16 1HB LYS 16 5.892 11.286 -13.640 128 1HG LYS 16 2HG LYS 16 7.537 12.696 -14.495 129 2HG LYS 16 1HG LYS 16 7.884 11.631 -15.858 130 1HD LYS 16 2HD LYS 16 5.884 12.264 -16.991 131 2HD LYS 16 1HD LYS 16 5.236 13.054 -15.553 132 1HE LYS 16 2HE LYS 16 7.823 13.970 -16.801 133 2HE LYS 16 1HE LYS 16 6.268 14.562 -17.386 134 1HZ LYS 16 2HZ LYS 16 5.765 15.169 -15.034 135 2HZ LYS 16 1HZ LYS 16 7.382 14.817 -14.650 136 3HZ LYS 16 3HZ LYS 16 7.025 16.065 -15.741 137 H SER 17 H SER 17 6.316 10.214 -11.870 138 HA SER 17 HA SER 17 8.459 11.561 -10.582 139 1HB SER 17 2HB SER 17 6.035 10.086 -9.658 140 2HB SER 17 1HB SER 17 7.282 10.423 -8.463 141 HG SER 17 HG SER 17 6.006 12.199 -8.473 142 H ASN 18 H ASN 18 7.515 8.138 -10.193 143 HA ASN 18 HA ASN 18 10.342 7.537 -9.394 144 1HB ASN 18 2HB ASN 18 9.224 5.392 -8.445 145 2HB ASN 18 1HB ASN 18 9.005 6.898 -7.558 146 1HD2 ASN 18 2HD2 ASN 18 5.514 7.109 -8.236 147 2HD2 ASN 18 1HD2 ASN 18 6.881 7.971 -7.723 148 H GLU 19 H GLU 19 10.715 7.518 -11.796 149 HA GLU 19 HA GLU 19 9.459 5.464 -13.417 150 1HB GLU 19 2HB GLU 19 10.525 7.635 -14.252 151 2HB GLU 19 1HB GLU 19 12.082 6.845 -14.014 152 1HG GLU 19 2HG GLU 19 9.919 5.468 -15.588 153 2HG GLU 19 1HG GLU 19 10.932 6.688 -16.359 154 H LYS 20 H LYS 20 9.802 3.591 -12.129 155 HA LYS 20 HA LYS 20 11.704 1.753 -12.850 156 1HB LYS 20 2HB LYS 20 13.519 3.171 -11.959 157 2HB LYS 20 1HB LYS 20 12.703 3.276 -10.403 158 1HG LYS 20 2HG LYS 20 13.507 1.258 -9.745 159 2HG LYS 20 1HG LYS 20 13.103 0.507 -11.287 160 1HD LYS 20 2HD LYS 20 15.484 2.343 -10.950 161 2HD LYS 20 1HD LYS 20 15.589 0.596 -10.726 162 1HE LYS 20 2HE LYS 20 14.411 1.791 -13.234 163 2HE LYS 20 1HE LYS 20 16.145 1.512 -13.073 164 1HZ LYS 20 1HZ LYS 20 14.265 -0.652 -12.425 165 2HZ LYS 20 3HZ LYS 20 14.623 -0.326 -14.051 166 3HZ LYS 20 2HZ LYS 20 15.869 -0.748 -12.975 167 H PHE 21 H PHE 21 9.828 3.139 -10.215 168 HA PHE 21 HA PHE 21 9.354 0.400 -9.128 169 1HB PHE 21 2HB PHE 21 8.735 3.078 -7.856 170 2HB PHE 21 1HB PHE 21 8.651 1.497 -7.083 171 HD1 PHE 21 HD1 PHE 21 10.772 0.142 -6.814 172 HD2 PHE 21 HD2 PHE 21 10.791 4.269 -8.015 173 HE1 PHE 21 HE1 PHE 21 13.166 0.313 -6.190 174 HE2 PHE 21 HE2 PHE 21 13.184 4.437 -7.389 175 HZ PHE 21 HZ PHE 21 14.372 2.460 -6.477 176 H ILE 22 H ILE 22 7.195 -0.159 -8.519 177 HA ILE 22 HA ILE 22 4.980 -0.558 -9.027 178 HB ILE 22 HB ILE 22 4.897 1.542 -7.616 179 1HG1 ILE 22 2HG1 ILE 22 2.620 1.320 -9.588 180 2HG1 ILE 22 1HG1 ILE 22 2.938 0.090 -8.365 181 1HG2 ILE 22 3HG2 ILE 22 4.677 2.803 -10.350 182 2HG2 ILE 22 2HG2 ILE 22 3.895 3.532 -8.952 183 3HG2 ILE 22 1HG2 ILE 22 5.644 3.316 -8.969 184 1HD1 ILE 22 3HD1 ILE 22 2.713 2.991 -7.591 185 2HD1 ILE 22 2HD1 ILE 22 1.266 2.000 -7.785 186 3HD1 ILE 22 1HD1 ILE 22 2.483 1.559 -6.586 187 H HIS 23 H HIS 23 3.216 -0.339 -10.598 188 HA HIS 23 HA HIS 23 3.396 1.013 -13.075 189 1HB HIS 23 2HB HIS 23 4.048 -0.911 -14.557 190 2HB HIS 23 1HB HIS 23 5.377 -0.326 -13.558 191 HD1 HIS 23 HD1 HIS 23 3.487 -3.340 -14.358 192 HD2 HIS 23 HD2 HIS 23 5.764 -2.010 -11.130 193 HE1 HIS 23 HE1 HIS 23 4.031 -5.388 -12.975 194 H TRP 24 H TRP 24 1.646 0.310 -14.524 195 HA TRP 24 HA TRP 24 -0.578 -0.846 -13.035 196 1HB TRP 24 2HB TRP 24 -0.267 0.136 -15.879 197 2HB TRP 24 1HB TRP 24 -1.772 -0.564 -15.278 198 HD1 TRP 24 HD1 TRP 24 0.415 2.518 -15.038 199 HE1 TRP 24 HE1 TRP 24 -0.820 4.338 -13.694 200 HE3 TRP 24 HE3 TRP 24 -3.570 -0.190 -13.345 201 HZ2 TRP 24 HZ2 TRP 24 -3.189 4.611 -12.113 202 HZ3 TRP 24 HZ3 TRP 24 -5.301 0.874 -11.925 203 HH2 TRP 24 HH2 TRP 24 -5.116 3.269 -11.307 204 H SER 25 H SER 25 -1.952 -2.566 -14.288 205 HA SER 25 HA SER 25 -0.273 -4.937 -14.556 206 1HB SER 25 2HB SER 25 -2.344 -6.152 -14.707 207 2HB SER 25 1HB SER 25 -2.574 -4.893 -13.497 208 HG SER 25 HG SER 25 -3.510 -3.619 -15.199 209 H THR 26 H THR 26 -1.487 -6.410 -16.543 210 HA THR 26 HA THR 26 -1.003 -4.807 -19.024 211 HB THR 26 HB THR 26 -0.318 -7.736 -18.776 212 HG1 THR 26 HG1 THR 26 1.280 -5.471 -18.191 213 1HG2 THR 26 1HG2 THR 26 -0.326 -5.840 -20.888 214 2HG2 THR 26 3HG2 THR 26 1.364 -6.155 -20.494 215 3HG2 THR 26 2HG2 THR 26 0.294 -7.489 -20.922 216 H SER 27 H SER 27 -3.506 -5.791 -17.504 217 HA SER 27 HA SER 27 -5.115 -6.359 -19.792 218 1HB SER 27 2HB SER 27 -5.723 -8.761 -18.838 219 2HB SER 27 1HB SER 27 -4.394 -8.555 -19.975 220 HG SER 27 HG SER 27 -4.364 -9.053 -17.225 221 H GLY 28 H GLY 28 -6.245 -4.660 -18.617 222 1HA GLY 28 2HA GLY 28 -8.514 -4.699 -17.499 223 2HA GLY 28 1HA GLY 28 -7.760 -5.682 -16.244 224 H GLU 29 H GLU 29 -7.790 -4.361 -14.466 225 HA GLU 29 HA GLU 29 -6.217 -1.851 -14.629 226 1HB GLU 29 2HB GLU 29 -9.125 -2.064 -14.007 227 2HB GLU 29 1HB GLU 29 -8.173 -0.959 -13.012 228 1HG GLU 29 2HG GLU 29 -7.941 -0.922 -16.018 229 2HG GLU 29 1HG GLU 29 -9.225 -0.031 -15.200 230 H SER 30 H SER 30 -4.673 -3.141 -13.425 231 HA SER 30 HA SER 30 -5.328 -3.255 -10.522 232 1HB SER 30 2HB SER 30 -5.223 -5.540 -12.079 233 2HB SER 30 1HB SER 30 -3.588 -5.448 -11.433 234 HG SER 30 HG SER 30 -4.537 -6.333 -9.761 235 H ILE 31 H ILE 31 -3.487 -2.906 -9.179 236 HA ILE 31 HA ILE 31 -1.124 -1.815 -10.640 237 HB ILE 31 HB ILE 31 -1.881 -1.349 -7.740 238 1HG1 ILE 31 2HG1 ILE 31 -2.335 0.551 -10.049 239 2HG1 ILE 31 1HG1 ILE 31 -3.591 -0.551 -9.486 240 1HG2 ILE 31 3HG2 ILE 31 0.089 -0.103 -9.662 241 2HG2 ILE 31 2HG2 ILE 31 -0.406 0.694 -8.169 242 3HG2 ILE 31 1HG2 ILE 31 0.426 -0.861 -8.106 243 1HD1 ILE 31 3HD1 ILE 31 -2.150 1.372 -7.645 244 2HD1 ILE 31 2HD1 ILE 31 -3.660 1.774 -8.462 245 3HD1 ILE 31 1HD1 ILE 31 -3.612 0.445 -7.304 246 H VAL 32 H VAL 32 0.843 -2.797 -10.383 247 HA VAL 32 HA VAL 32 0.974 -5.108 -8.488 248 HB VAL 32 HB VAL 32 2.608 -4.574 -10.984 249 1HG1 VAL 32 1HG1 VAL 32 2.484 -6.851 -9.009 250 2HG1 VAL 32 3HG1 VAL 32 3.055 -7.099 -10.659 251 3HG1 VAL 32 2HG1 VAL 32 3.902 -5.980 -9.590 252 1HG2 VAL 32 3HG2 VAL 32 0.144 -5.029 -11.342 253 2HG2 VAL 32 2HG2 VAL 32 1.224 -6.215 -12.075 254 3HG2 VAL 32 1HG2 VAL 32 0.392 -6.595 -10.567 255 H VAL 33 H VAL 33 3.014 -5.456 -7.375 256 HA VAL 33 HA VAL 33 4.785 -3.056 -7.227 257 HB VAL 33 HB VAL 33 3.694 -4.622 -4.868 258 1HG1 VAL 33 1HG1 VAL 33 5.701 -2.366 -5.091 259 2HG1 VAL 33 3HG1 VAL 33 4.854 -2.730 -3.588 260 3HG1 VAL 33 2HG1 VAL 33 5.916 -3.935 -4.315 261 1HG2 VAL 33 1HG2 VAL 33 3.102 -1.896 -6.025 262 2HG2 VAL 33 3HG2 VAL 33 1.965 -3.171 -5.586 263 3HG2 VAL 33 2HG2 VAL 33 2.792 -2.255 -4.327 264 HA PRO 34 HA PRO 34 7.306 -6.792 -7.790 265 1HB PRO 34 2HB PRO 34 9.463 -5.532 -8.923 266 2HB PRO 34 1HB PRO 34 8.068 -6.105 -9.853 267 1HG PRO 34 2HG PRO 34 8.804 -3.324 -9.097 268 2HG PRO 34 1HG PRO 34 7.851 -3.900 -10.475 269 1HD PRO 34 2HD PRO 34 6.812 -2.759 -8.110 270 2HD PRO 34 1HD PRO 34 5.883 -3.637 -9.339 271 H ASN 35 H ASN 35 8.337 -3.589 -6.644 272 HA ASN 35 HA ASN 35 9.826 -4.936 -4.437 273 1HB ASN 35 2HB ASN 35 10.859 -3.046 -6.470 274 2HB ASN 35 1HB ASN 35 11.298 -2.661 -4.807 275 1HD2 ASN 35 2HD2 ASN 35 13.991 -4.920 -5.694 276 2HD2 ASN 35 1HD2 ASN 35 13.551 -3.284 -5.801 277 H ARG 36 H ARG 36 8.228 -4.444 -2.916 278 HA ARG 36 HA ARG 36 7.148 -1.718 -2.718 279 1HB ARG 36 2HB ARG 36 5.815 -3.820 -2.212 280 2HB ARG 36 1HB ARG 36 6.807 -4.012 -0.767 281 1HG ARG 36 2HG ARG 36 5.847 -1.293 -0.888 282 2HG ARG 36 1HG ARG 36 4.484 -2.395 -1.081 283 1HD ARG 36 2HD ARG 36 4.678 -2.136 1.261 284 2HD ARG 36 1HD ARG 36 5.478 -3.673 0.935 285 HE ARG 36 HE ARG 36 7.138 -1.208 1.075 286 1HH1 ARG 36 1HH2 ARG 36 7.569 -4.412 1.156 287 2HH1 ARG 36 2HH2 ARG 36 8.271 -4.518 2.735 288 1HH2 ARG 36 1HH1 ARG 36 8.197 -2.740 4.128 289 2HH2 ARG 36 2HH1 ARG 36 7.436 -1.270 3.616 290 H GLU 37 H GLU 37 9.377 -3.803 -0.909 291 HA GLU 37 HA GLU 37 9.784 -2.035 1.303 292 1HB GLU 37 2HB GLU 37 10.472 -4.448 1.229 293 2HB GLU 37 1HB GLU 37 11.781 -3.995 0.138 294 1HG GLU 37 2HG GLU 37 13.046 -3.168 1.823 295 2HG GLU 37 1HG GLU 37 11.682 -2.306 2.535 296 H ARG 38 H ARG 38 11.179 -2.127 -1.925 297 HA ARG 38 HA ARG 38 13.213 -0.106 -1.226 298 1HB ARG 38 2HB ARG 38 13.135 -2.105 -3.120 299 2HB ARG 38 1HB ARG 38 12.753 -0.678 -4.084 300 1HG ARG 38 2HG ARG 38 14.763 0.439 -3.381 301 2HG ARG 38 1HG ARG 38 15.089 -0.789 -2.160 302 1HD ARG 38 2HD ARG 38 16.304 -1.917 -3.681 303 2HD ARG 38 1HD ARG 38 14.837 -2.172 -4.624 304 HE ARG 38 HE ARG 38 15.380 -0.101 -5.867 305 1HH1 ARG 38 1HH2 ARG 38 17.153 1.497 -4.372 306 2HH1 ARG 38 2HH2 ARG 38 18.743 1.024 -4.874 307 1HH2 ARG 38 2HH1 ARG 38 17.700 -1.976 -6.267 308 2HH2 ARG 38 1HH1 ARG 38 19.052 -0.943 -5.946 309 H PHE 39 H PHE 39 10.210 -0.344 -3.102 310 HA PHE 39 HA PHE 39 10.185 2.279 -4.196 311 1HB PHE 39 2HB PHE 39 8.572 0.756 -5.041 312 2HB PHE 39 1HB PHE 39 8.025 0.303 -3.431 313 HD1 PHE 39 HD1 PHE 39 8.076 3.135 -5.872 314 HD2 PHE 39 HD2 PHE 39 6.225 1.430 -2.393 315 HE1 PHE 39 HE1 PHE 39 6.287 4.844 -5.990 316 HE2 PHE 39 HE2 PHE 39 4.434 3.138 -2.512 317 HZ PHE 39 HZ PHE 39 4.469 4.845 -4.309 318 H VAL 40 H VAL 40 8.203 1.231 -1.417 319 HA VAL 40 HA VAL 40 7.467 3.719 -0.416 320 HB VAL 40 HB VAL 40 8.211 1.303 1.261 321 1HG1 VAL 40 2HG1 VAL 40 6.575 3.781 1.720 322 2HG1 VAL 40 1HG1 VAL 40 6.165 2.291 2.567 323 3HG1 VAL 40 3HG1 VAL 40 7.757 3.019 2.783 324 1HG2 VAL 40 1HG2 VAL 40 5.844 1.941 -0.474 325 2HG2 VAL 40 3HG2 VAL 40 6.697 0.412 -0.277 326 3HG2 VAL 40 2HG2 VAL 40 5.613 0.983 0.989 327 H GLN 41 H GLN 41 10.516 2.009 0.136 328 HA GLN 41 HA GLN 41 11.552 3.603 2.225 329 1HB GLN 41 2HB GLN 41 12.574 1.661 0.312 330 2HB GLN 41 1HB GLN 41 13.763 2.921 0.637 331 1HG GLN 41 2HG GLN 41 12.341 1.888 3.024 332 2HG GLN 41 1HG GLN 41 13.405 0.730 2.225 333 1HE2 GLN 41 2HE2 GLN 41 16.346 2.842 2.776 334 2HE2 GLN 41 1HE2 GLN 41 15.644 1.923 1.535 335 H GLU 42 H GLU 42 12.214 4.030 -1.297 336 HA GLU 42 HA GLU 42 13.017 6.835 -0.633 337 1HB GLU 42 2HB GLU 42 13.891 4.998 -2.875 338 2HB GLU 42 1HB GLU 42 14.301 6.712 -2.805 339 1HG GLU 42 2HG GLU 42 15.112 6.099 -0.366 340 2HG GLU 42 1HG GLU 42 15.221 4.472 -1.040 341 H VAL 43 H VAL 43 10.259 6.213 -1.045 342 HA VAL 43 HA VAL 43 9.747 8.000 -3.333 343 HB VAL 43 HB VAL 43 8.485 5.241 -3.227 344 1HG1 VAL 43 2HG1 VAL 43 8.002 7.721 -4.818 345 2HG1 VAL 43 1HG1 VAL 43 7.918 6.183 -5.678 346 3HG1 VAL 43 3HG1 VAL 43 6.862 6.482 -4.297 347 1HG2 VAL 43 3HG2 VAL 43 10.640 6.446 -4.987 348 2HG2 VAL 43 2HG2 VAL 43 10.749 4.991 -3.995 349 3HG2 VAL 43 1HG2 VAL 43 9.736 5.002 -5.439 350 H LEU 44 H LEU 44 8.352 6.060 -0.674 351 HA LEU 44 HA LEU 44 5.828 7.435 -0.658 352 1HB LEU 44 2HB LEU 44 6.204 5.236 0.412 353 2HB LEU 44 1HB LEU 44 7.235 6.004 1.615 354 HG LEU 44 HG LEU 44 5.368 7.328 2.447 355 1HD1 LEU 44 3HD1 LEU 44 3.838 6.055 0.157 356 2HD1 LEU 44 2HD1 LEU 44 3.053 6.870 1.508 357 3HD1 LEU 44 1HD1 LEU 44 4.117 7.775 0.431 358 1HD2 LEU 44 2HD2 LEU 44 4.700 4.396 2.046 359 2HD2 LEU 44 1HD2 LEU 44 5.577 5.107 3.401 360 3HD2 LEU 44 3HD2 LEU 44 3.860 5.451 3.184 361 HA PRO 45 HA PRO 45 7.682 10.102 2.859 362 1HB PRO 45 2HB PRO 45 10.400 10.487 2.882 363 2HB PRO 45 1HB PRO 45 9.569 9.290 3.889 364 1HG PRO 45 2HG PRO 45 11.219 8.872 1.454 365 2HG PRO 45 1HG PRO 45 10.885 7.759 2.792 366 1HD PRO 45 2HD PRO 45 9.674 7.707 0.243 367 2HD PRO 45 1HD PRO 45 9.140 6.809 1.674 368 H LYS 46 H LYS 46 9.137 9.916 -0.326 369 HA LYS 46 HA LYS 46 9.849 12.682 -0.618 370 1HB LYS 46 2HB LYS 46 10.077 10.409 -2.183 371 2HB LYS 46 1HB LYS 46 8.876 11.351 -3.062 372 1HG LYS 46 2HG LYS 46 10.365 12.998 -3.606 373 2HG LYS 46 1HG LYS 46 11.228 12.868 -2.072 374 1HD LYS 46 2HD LYS 46 12.698 11.323 -2.880 375 2HD LYS 46 1HD LYS 46 11.460 10.498 -3.827 376 1HE LYS 46 2HE LYS 46 11.578 12.783 -5.230 377 2HE LYS 46 1HE LYS 46 13.220 12.783 -4.585 378 1HZ LYS 46 2HZ LYS 46 13.407 10.453 -5.400 379 2HZ LYS 46 1HZ LYS 46 11.916 10.656 -6.189 380 3HZ LYS 46 3HZ LYS 46 13.245 11.611 -6.632 381 H TYR 47 H TYR 47 6.819 10.937 -0.831 382 HA TYR 47 HA TYR 47 5.393 13.166 -2.099 383 1HB TYR 47 2HB TYR 47 4.627 10.444 -1.064 384 2HB TYR 47 1HB TYR 47 3.385 11.625 -1.477 385 HD1 TYR 47 HD2 TYR 47 6.644 10.455 -2.974 386 HD2 TYR 47 HD1 TYR 47 2.496 11.385 -3.600 387 HE1 TYR 47 HE2 TYR 47 6.867 9.849 -5.371 388 HE2 TYR 47 HE1 TYR 47 2.724 10.783 -5.993 389 HH TYR 47 HH TYR 47 5.235 9.025 -7.214 390 H PHE 48 H PHE 48 4.976 11.439 1.030 391 HA PHE 48 HA PHE 48 3.748 13.924 2.132 392 1HB PHE 48 2HB PHE 48 3.820 11.171 3.396 393 2HB PHE 48 1HB PHE 48 2.790 12.528 3.848 394 HD1 PHE 48 HD1 PHE 48 1.276 13.494 1.886 395 HD2 PHE 48 HD2 PHE 48 2.963 9.542 1.965 396 HE1 PHE 48 HE1 PHE 48 -0.437 12.728 0.262 397 HE2 PHE 48 HE2 PHE 48 1.251 8.778 0.342 398 HZ PHE 48 HZ PHE 48 -0.448 10.369 -0.508 399 H LYS 49 H LYS 49 4.272 14.247 4.571 400 HA LYS 49 HA LYS 49 7.217 14.300 4.819 401 1HB LYS 49 2HB LYS 49 6.849 15.825 6.692 402 2HB LYS 49 1HB LYS 49 5.891 16.345 5.313 403 1HG LYS 49 2HG LYS 49 3.925 15.110 6.319 404 2HG LYS 49 1HG LYS 49 4.907 14.866 7.764 405 1HD LYS 49 2HD LYS 49 5.273 17.473 7.593 406 2HD LYS 49 1HD LYS 49 3.790 17.417 6.640 407 1HE LYS 49 2HE LYS 49 3.663 15.837 9.124 408 2HE LYS 49 1HE LYS 49 3.880 17.568 9.387 409 1HZ LYS 49 2HZ LYS 49 2.014 17.903 7.782 410 2HZ LYS 49 1HZ LYS 49 1.727 16.228 7.850 411 3HZ LYS 49 3HZ LYS 49 1.569 17.173 9.249 412 H HIS 50 H HIS 50 4.403 13.081 6.598 413 HA HIS 50 HA HIS 50 6.218 11.125 7.939 414 1HB HIS 50 2HB HIS 50 4.121 12.909 9.171 415 2HB HIS 50 1HB HIS 50 4.557 11.377 9.927 416 HD1 HIS 50 HD1 HIS 50 7.224 11.081 10.421 417 HD2 HIS 50 HD2 HIS 50 5.893 14.974 9.744 418 HE1 HIS 50 HE1 HIS 50 9.036 12.620 11.293 419 H SER 51 H SER 51 5.355 9.828 6.062 420 HA SER 51 HA SER 51 2.748 8.581 6.820 421 1HB SER 51 2HB SER 51 2.628 10.143 4.776 422 2HB SER 51 1HB SER 51 3.616 8.944 3.948 423 HG SER 51 HG SER 51 1.035 8.910 4.217 424 H ASN 52 H ASN 52 2.622 6.319 6.323 425 HA ASN 52 HA ASN 52 5.164 5.055 5.416 426 1HB ASN 52 2HB ASN 52 3.968 4.924 8.075 427 2HB ASN 52 1HB ASN 52 4.142 3.318 7.366 428 1HD2 ASN 52 2HD2 ASN 52 7.785 3.824 6.972 429 2HD2 ASN 52 1HD2 ASN 52 6.481 3.374 5.983 430 H PHE 53 H PHE 53 4.785 2.681 4.895 431 HA PHE 53 HA PHE 53 2.859 2.318 2.913 432 1HB PHE 53 2HB PHE 53 3.216 -0.136 3.246 433 2HB PHE 53 1HB PHE 53 4.721 0.779 3.168 434 HD1 PHE 53 HD2 PHE 53 2.369 -0.991 5.409 435 HD2 PHE 53 HD1 PHE 53 6.144 1.038 5.111 436 HE1 PHE 53 HE2 PHE 53 3.004 -1.841 7.651 437 HE2 PHE 53 HE1 PHE 53 6.777 0.188 7.352 438 HZ PHE 53 HZ PHE 53 5.208 -1.253 8.622 439 H ALA 54 H ALA 54 2.499 1.744 6.383 440 HA ALA 54 HA ALA 54 0.024 0.325 6.299 441 1HB ALA 54 3HB ALA 54 1.575 0.687 8.305 442 2HB ALA 54 2HB ALA 54 0.823 2.274 8.467 443 3HB ALA 54 1HB ALA 54 -0.154 0.814 8.626 444 H SER 55 H SER 55 0.688 3.816 6.640 445 HA SER 55 HA SER 55 -2.044 4.647 6.762 446 1HB SER 55 2HB SER 55 -0.081 6.078 7.357 447 2HB SER 55 1HB SER 55 0.326 6.181 5.647 448 HG SER 55 HG SER 55 -1.137 7.844 6.788 449 H PHE 56 H PHE 56 0.112 3.957 4.067 450 HA PHE 56 HA PHE 56 -1.449 5.089 1.970 451 1HB PHE 56 2HB PHE 56 0.918 4.243 1.775 452 2HB PHE 56 1HB PHE 56 0.277 2.601 1.813 453 HD1 PHE 56 HD2 PHE 56 -1.001 5.703 0.142 454 HD2 PHE 56 HD1 PHE 56 0.504 1.711 -0.350 455 HE1 PHE 56 HE2 PHE 56 -1.455 5.834 -2.292 456 HE2 PHE 56 HE1 PHE 56 0.050 1.843 -2.785 457 HZ PHE 56 HZ PHE 56 -0.927 3.902 -3.754 458 H VAL 57 H VAL 57 -1.445 1.827 3.373 459 HA VAL 57 HA VAL 57 -3.449 0.737 1.645 460 HB VAL 57 HB VAL 57 -2.816 -0.062 4.502 461 1HG1 VAL 57 1HG1 VAL 57 -4.913 -0.936 3.136 462 2HG1 VAL 57 3HG1 VAL 57 -3.700 -1.933 2.332 463 3HG1 VAL 57 2HG1 VAL 57 -3.929 -2.057 4.076 464 1HG2 VAL 57 2HG2 VAL 57 -0.980 0.055 2.521 465 2HG2 VAL 57 1HG2 VAL 57 -0.974 -1.211 3.748 466 3HG2 VAL 57 3HG2 VAL 57 -1.686 -1.519 2.164 467 H ARG 58 H ARG 58 -3.636 2.586 4.653 468 HA ARG 58 HA ARG 58 -6.388 2.108 5.244 469 1HB ARG 58 2HB ARG 58 -4.616 3.298 6.689 470 2HB ARG 58 1HB ARG 58 -5.006 4.743 5.754 471 1HG ARG 58 2HG ARG 58 -6.588 5.022 7.390 472 2HG ARG 58 1HG ARG 58 -7.509 3.913 6.373 473 1HD ARG 58 2HD ARG 58 -6.150 2.095 7.794 474 2HD ARG 58 1HD ARG 58 -6.136 3.404 8.976 475 HE ARG 58 HE ARG 58 -8.422 1.795 8.309 476 1HH1 ARG 58 1HH2 ARG 58 -7.527 4.025 10.481 477 2HH1 ARG 58 2HH2 ARG 58 -8.988 4.955 10.477 478 1HH2 ARG 58 2HH1 ARG 58 -10.273 3.422 7.646 479 2HH2 ARG 58 1HH1 ARG 58 -10.542 4.614 8.873 480 H GLN 59 H GLN 59 -4.885 4.797 3.408 481 HA GLN 59 HA GLN 59 -7.313 6.093 2.674 482 1HB GLN 59 2HB GLN 59 -4.561 5.988 1.453 483 2HB GLN 59 1HB GLN 59 -5.868 6.835 0.638 484 1HG GLN 59 2HG GLN 59 -4.487 8.332 2.083 485 2HG GLN 59 1HG GLN 59 -6.187 8.304 2.542 486 1HE2 GLN 59 2HE2 GLN 59 -3.388 7.142 5.204 487 2HE2 GLN 59 1HE2 GLN 59 -2.980 7.795 3.692 488 H LEU 60 H LEU 60 -5.442 3.573 0.985 489 HA LEU 60 HA LEU 60 -7.055 3.421 -1.351 490 1HB LEU 60 2HB LEU 60 -5.383 1.338 0.065 491 2HB LEU 60 1HB LEU 60 -6.140 1.066 -1.496 492 HG LEU 60 HG LEU 60 -4.274 3.378 -0.932 493 1HD1 LEU 60 2HD1 LEU 60 -3.537 0.705 -1.044 494 2HD1 LEU 60 1HD1 LEU 60 -3.312 1.243 -2.708 495 3HD1 LEU 60 3HD1 LEU 60 -2.480 2.072 -1.393 496 1HD2 LEU 60 1HD2 LEU 60 -5.744 2.315 -3.321 497 2HD2 LEU 60 3HD2 LEU 60 -5.494 3.986 -2.816 498 3HD2 LEU 60 2HD2 LEU 60 -4.176 3.085 -3.565 499 H ASN 61 H ASN 61 -7.525 2.090 1.858 500 HA ASN 61 HA ASN 61 -9.658 0.277 1.004 501 1HB ASN 61 2HB ASN 61 -8.013 0.184 3.110 502 2HB ASN 61 1HB ASN 61 -9.349 1.054 3.867 503 1HD2 ASN 61 2HD2 ASN 61 -10.052 -2.763 2.486 504 2HD2 ASN 61 1HD2 ASN 61 -8.838 -1.831 1.750 505 H MET 62 H MET 62 -9.449 3.578 2.162 506 HA MET 62 HA MET 62 -12.213 3.783 3.007 507 1HB MET 62 2HB MET 62 -10.391 5.371 3.701 508 2HB MET 62 1HB MET 62 -10.400 6.019 2.060 509 1HG MET 62 2HG MET 62 -12.497 6.984 2.302 510 2HG MET 62 1HG MET 62 -12.999 5.831 3.539 511 1HE MET 62 1HE MET 62 -13.572 8.674 3.437 512 2HE MET 62 3HE MET 62 -12.854 9.693 4.693 513 3HE MET 62 2HE MET 62 -12.078 9.551 3.117 514 H TYR 63 H TYR 63 -10.563 4.074 -0.075 515 HA TYR 63 HA TYR 63 -12.991 5.178 -1.367 516 1HB TYR 63 2HB TYR 63 -10.295 4.466 -2.565 517 2HB TYR 63 1HB TYR 63 -11.587 5.364 -3.365 518 HD1 TYR 63 HD2 TYR 63 -12.471 7.480 -2.070 519 HD2 TYR 63 HD1 TYR 63 -8.638 5.658 -1.413 520 HE1 TYR 63 HE2 TYR 63 -11.641 9.590 -1.065 521 HE2 TYR 63 HE1 TYR 63 -7.807 7.766 -0.406 522 HH TYR 63 HH TYR 63 -8.805 10.516 -0.799 523 H GLY 64 H GLY 64 -10.957 2.266 -1.454 524 1HA GLY 64 2HA GLY 64 -12.469 0.164 -1.624 525 2HA GLY 64 1HA GLY 64 -13.038 0.918 -3.114 526 H TRP 65 H TRP 65 -10.212 -0.504 -1.535 527 HA TRP 65 HA TRP 65 -9.218 -1.419 -4.148 528 1HB TRP 65 2HB TRP 65 -7.786 0.643 -2.476 529 2HB TRP 65 1HB TRP 65 -6.880 -0.471 -3.499 530 HD1 TRP 65 HD1 TRP 65 -8.649 2.751 -3.611 531 HE1 TRP 65 HE1 TRP 65 -8.976 3.527 -6.049 532 HE3 TRP 65 HE3 TRP 65 -7.487 -1.569 -6.077 533 HZ2 TRP 65 HZ2 TRP 65 -8.779 2.454 -8.695 534 HZ3 TRP 65 HZ3 TRP 65 -7.565 -1.664 -8.552 535 HH2 TRP 65 HH2 TRP 65 -8.208 0.339 -9.862 536 H HIS 66 H HIS 66 -8.907 -3.552 -3.666 537 HA HIS 66 HA HIS 66 -8.159 -4.397 -0.958 538 1HB HIS 66 2HB HIS 66 -8.786 -5.830 -3.534 539 2HB HIS 66 1HB HIS 66 -8.043 -6.698 -2.191 540 HD1 HIS 66 HD1 HIS 66 -10.981 -7.278 -3.138 541 HD2 HIS 66 HD2 HIS 66 -9.963 -4.747 0.016 542 HE1 HIS 66 HE1 HIS 66 -13.013 -7.158 -1.631 543 H LYS 67 H LYS 67 -6.298 -6.165 -0.929 544 HA LYS 67 HA LYS 67 -4.081 -5.663 -2.766 545 1HB LYS 67 2HB LYS 67 -2.582 -5.011 -0.706 546 2HB LYS 67 1HB LYS 67 -3.515 -3.767 -1.532 547 1HG LYS 67 2HG LYS 67 -3.816 -3.505 0.868 548 2HG LYS 67 1HG LYS 67 -5.332 -4.072 0.169 549 1HD LYS 67 2HD LYS 67 -5.137 -6.181 1.100 550 2HD LYS 67 1HD LYS 67 -3.376 -6.117 1.138 551 1HE LYS 67 2HE LYS 67 -3.383 -5.309 3.245 552 2HE LYS 67 1HE LYS 67 -4.523 -4.034 2.816 553 1HZ LYS 67 2HZ LYS 67 -6.327 -5.631 3.015 554 2HZ LYS 67 1HZ LYS 67 -5.225 -6.847 3.455 555 3HZ LYS 67 3HZ LYS 67 -5.459 -5.509 4.470 556 H VAL 68 H VAL 68 -5.679 -7.923 -1.598 557 HA VAL 68 HA VAL 68 -5.285 -10.109 -0.838 558 HB VAL 68 HB VAL 68 -2.327 -9.859 -1.140 559 1HG1 VAL 68 3HG1 VAL 68 -4.193 -11.919 -1.001 560 2HG1 VAL 68 2HG1 VAL 68 -3.778 -11.863 -2.713 561 3HG1 VAL 68 1HG1 VAL 68 -2.513 -12.081 -1.506 562 1HG2 VAL 68 2HG2 VAL 68 -4.271 -9.210 -3.327 563 2HG2 VAL 68 1HG2 VAL 68 -2.638 -8.599 -3.065 564 3HG2 VAL 68 3HG2 VAL 68 -2.880 -10.212 -3.737 565 H GLN 69 H GLN 69 -3.464 -11.309 0.738 566 HA GLN 69 HA GLN 69 -3.118 -9.460 3.062 567 1HB GLN 69 2HB GLN 69 -4.283 -12.207 2.873 568 2HB GLN 69 1HB GLN 69 -3.347 -11.810 4.315 569 1HG GLN 69 2HG GLN 69 -5.545 -10.011 3.279 570 2HG GLN 69 1HG GLN 69 -5.860 -11.314 4.427 571 1HE2 GLN 69 2HE2 GLN 69 -3.888 -9.709 7.046 572 2HE2 GLN 69 1HE2 GLN 69 -4.158 -11.250 6.387 573 H ASP 70 H ASP 70 -0.915 -9.114 2.302 574 HA ASP 70 HA ASP 70 0.966 -11.196 1.807 575 1HB ASP 70 2HB ASP 70 1.034 -8.469 1.667 576 2HB ASP 70 1HB ASP 70 2.014 -8.749 3.107 577 H VAL 71 H VAL 71 -0.061 -9.634 4.818 578 HA VAL 71 HA VAL 71 1.964 -10.956 6.430 579 HB VAL 71 HB VAL 71 -0.612 -9.554 7.224 580 1HG1 VAL 71 1HG1 VAL 71 1.572 -10.872 8.770 581 2HG1 VAL 71 3HG1 VAL 71 0.959 -9.338 9.388 582 3HG1 VAL 71 2HG1 VAL 71 -0.138 -10.700 9.165 583 1HG2 VAL 71 2HG2 VAL 71 2.266 -8.660 6.938 584 2HG2 VAL 71 1HG2 VAL 71 0.838 -7.981 6.158 585 3HG2 VAL 71 3HG2 VAL 71 1.087 -7.757 7.889 586 H LYS 72 H LYS 72 -1.330 -11.339 7.608 587 HA LYS 72 HA LYS 72 -2.474 -13.268 8.256 588 1HB LYS 72 2HB LYS 72 -2.136 -13.279 5.477 589 2HB LYS 72 1HB LYS 72 -1.694 -14.912 5.973 590 1HG LYS 72 2HG LYS 72 -3.854 -14.848 7.401 591 2HG LYS 72 1HG LYS 72 -4.303 -13.462 6.407 592 1HD LYS 72 2HD LYS 72 -3.353 -15.968 5.060 593 2HD LYS 72 1HD LYS 72 -5.007 -15.895 5.667 594 1HE LYS 72 2HE LYS 72 -5.119 -13.612 4.424 595 2HE LYS 72 1HE LYS 72 -3.702 -14.195 3.551 596 1HZ LYS 72 2HZ LYS 72 -6.115 -15.870 3.820 597 2HZ LYS 72 1HZ LYS 72 -6.001 -14.698 2.594 598 3HZ LYS 72 3HZ LYS 72 -4.876 -15.966 2.662 599 H SER 73 H SER 73 -2.017 -15.962 7.953 600 HA SER 73 HA SER 73 0.417 -16.302 9.594 601 1HB SER 73 2HB SER 73 -1.855 -18.197 8.922 602 2HB SER 73 1HB SER 73 -0.489 -18.615 9.954 603 HG SER 73 HG SER 73 -2.710 -17.396 10.639 604 H GLY 74 H GLY 74 -0.674 -18.941 7.509 605 1HA GLY 74 2HA GLY 74 0.543 -20.198 5.947 606 2HA GLY 74 1HA GLY 74 0.841 -18.631 5.202 607 H SER 75 H SER 75 2.034 -20.409 8.090 608 HA SER 75 HA SER 75 4.220 -20.704 8.890 609 1HB SER 75 2HB SER 75 4.270 -21.302 6.171 610 2HB SER 75 1HB SER 75 5.598 -20.161 6.360 611 HG SER 75 HG SER 75 5.245 -22.716 7.404 612 H MET 76 H MET 76 4.515 -18.888 10.170 613 HA MET 76 HA MET 76 5.647 -16.470 8.818 614 1HB MET 76 2HB MET 76 4.781 -15.200 10.791 615 2HB MET 76 1HB MET 76 3.497 -15.981 9.866 616 1HG MET 76 2HG MET 76 3.415 -17.828 11.458 617 2HG MET 76 1HG MET 76 4.778 -17.155 12.351 618 1HE MET 76 1HE MET 76 4.538 -16.328 14.280 619 2HE MET 76 3HE MET 76 4.576 -14.657 13.703 620 3HE MET 76 2HE MET 76 3.391 -15.148 14.912 621 H LEU 77 H LEU 77 7.119 -18.847 9.743 622 HA LEU 77 HA LEU 77 8.500 -17.994 12.199 623 1HB LEU 77 2HB LEU 77 8.462 -20.398 10.457 624 2HB LEU 77 1HB LEU 77 9.992 -20.057 11.263 625 HG LEU 77 HG LEU 77 7.320 -20.175 12.688 626 1HD1 LEU 77 1HD1 LEU 77 9.362 -22.266 12.044 627 2HD1 LEU 77 3HD1 LEU 77 8.585 -22.323 13.625 628 3HD1 LEU 77 2HD1 LEU 77 7.608 -22.411 12.160 629 1HD2 LEU 77 3HD2 LEU 77 10.156 -19.654 13.466 630 2HD2 LEU 77 2HD2 LEU 77 8.670 -18.959 14.113 631 3HD2 LEU 77 1HD2 LEU 77 9.163 -20.584 14.588 632 H SER 78 H SER 78 9.043 -18.022 8.720 633 HA SER 78 HA SER 78 11.127 -16.009 8.956 634 1HB SER 78 2HB SER 78 12.779 -17.569 7.661 635 2HB SER 78 1HB SER 78 12.660 -17.727 9.411 636 HG SER 78 HG SER 78 12.165 -19.723 8.986 637 H ASN 79 H ASN 79 8.739 -15.859 7.646 638 HA ASN 79 HA ASN 79 9.539 -16.028 4.766 639 1HB ASN 79 2HB ASN 79 7.704 -17.672 5.619 640 2HB ASN 79 1HB ASN 79 6.672 -16.243 5.676 641 1HD2 ASN 79 2HD2 ASN 79 7.057 -18.034 2.181 642 2HD2 ASN 79 1HD2 ASN 79 7.260 -18.771 3.697 643 H ASN 80 H ASN 80 9.118 -14.159 3.558 644 HA ASN 80 HA ASN 80 7.421 -12.037 4.712 645 1HB ASN 80 2HB ASN 80 10.394 -11.937 4.621 646 2HB ASN 80 1HB ASN 80 9.541 -10.475 4.127 647 1HD2 ASN 80 2HD2 ASN 80 8.507 -9.656 7.405 648 2HD2 ASN 80 1HD2 ASN 80 8.477 -9.239 5.761 649 H ASP 81 H ASP 81 9.992 -12.255 2.214 650 HA ASP 81 HA ASP 81 9.926 -11.770 -0.080 651 1HB ASP 81 2HB ASP 81 7.216 -12.879 0.501 652 2HB ASP 81 1HB ASP 81 7.433 -12.034 -1.031 653 H SER 82 H SER 82 8.660 -10.250 -1.712 654 HA SER 82 HA SER 82 7.321 -8.001 -0.346 655 1HB SER 82 2HB SER 82 9.987 -7.734 -1.755 656 2HB SER 82 1HB SER 82 8.939 -6.362 -1.404 657 HG SER 82 HG SER 82 9.146 -6.791 0.770 658 H ARG 83 H ARG 83 5.722 -9.152 -1.836 659 HA ARG 83 HA ARG 83 5.743 -7.760 -4.467 660 1HB ARG 83 2HB ARG 83 6.161 -10.541 -4.160 661 2HB ARG 83 1HB ARG 83 4.488 -10.373 -4.695 662 1HG ARG 83 2HG ARG 83 5.102 -9.284 -6.687 663 2HG ARG 83 1HG ARG 83 6.688 -8.833 -6.061 664 1HD ARG 83 2HD ARG 83 6.862 -11.538 -5.892 665 2HD ARG 83 1HD ARG 83 5.794 -11.381 -7.288 666 HE ARG 83 HE ARG 83 8.505 -10.123 -7.132 667 1HH1 ARG 83 2HH1 ARG 83 8.093 -8.839 -9.309 668 2HH1 ARG 83 1HH1 ARG 83 7.866 -9.919 -10.644 669 1HH2 ARG 83 1HH2 ARG 83 7.244 -12.683 -8.644 670 2HH2 ARG 83 2HH2 ARG 83 7.385 -12.095 -10.268 671 H TRP 84 H TRP 84 4.107 -6.347 -3.933 672 HA TRP 84 HA TRP 84 1.661 -7.412 -2.630 673 1HB TRP 84 2HB TRP 84 2.653 -4.608 -3.189 674 2HB TRP 84 1HB TRP 84 1.044 -4.941 -2.565 675 HD1 TRP 84 HD1 TRP 84 4.250 -6.799 -1.479 676 HE1 TRP 84 HE1 TRP 84 4.606 -6.383 1.036 677 HE3 TRP 84 HE3 TRP 84 0.495 -3.452 -0.598 678 HZ2 TRP 84 HZ2 TRP 84 3.453 -4.835 3.147 679 HZ3 TRP 84 HZ3 TRP 84 0.148 -2.521 1.671 680 HH2 TRP 84 HH2 TRP 84 1.620 -3.209 3.544 681 H GLU 85 H GLU 85 -0.433 -6.934 -3.532 682 HA GLU 85 HA GLU 85 -0.429 -6.339 -6.462 683 1HB GLU 85 2HB GLU 85 -2.041 -8.441 -4.976 684 2HB GLU 85 1HB GLU 85 -2.330 -7.973 -6.652 685 1HG GLU 85 2HG GLU 85 -0.533 -9.137 -7.414 686 2HG GLU 85 1HG GLU 85 0.488 -8.620 -6.073 687 H PHE 86 H PHE 86 -2.804 -5.709 -7.126 688 HA PHE 86 HA PHE 86 -4.360 -4.487 -4.940 689 1HB PHE 86 2HB PHE 86 -2.881 -2.877 -7.019 690 2HB PHE 86 1HB PHE 86 -4.276 -2.234 -6.152 691 HD1 PHE 86 HD1 PHE 86 -4.207 -1.995 -3.671 692 HD2 PHE 86 HD2 PHE 86 -0.751 -3.142 -5.947 693 HE1 PHE 86 HE1 PHE 86 -2.753 -1.441 -1.739 694 HE2 PHE 86 HE2 PHE 86 0.705 -2.587 -4.018 695 HZ PHE 86 HZ PHE 86 -0.297 -1.737 -1.914 696 H GLU 87 H GLU 87 -6.233 -5.528 -5.573 697 HA GLU 87 HA GLU 87 -7.138 -5.110 -8.393 698 1HB GLU 87 2HB GLU 87 -7.525 -7.324 -6.420 699 2HB GLU 87 1HB GLU 87 -8.842 -6.984 -7.543 700 1HG GLU 87 2HG GLU 87 -7.115 -7.075 -9.410 701 2HG GLU 87 1HG GLU 87 -5.988 -7.722 -8.217 702 H ASN 88 H ASN 88 -9.723 -5.152 -8.384 703 HA ASN 88 HA ASN 88 -10.567 -2.780 -7.001 704 1HB ASN 88 2HB ASN 88 -11.596 -4.489 -9.036 705 2HB ASN 88 1HB ASN 88 -12.830 -4.394 -7.782 706 1HD2 ASN 88 2HD2 ASN 88 -11.678 -0.861 -9.569 707 2HD2 ASN 88 1HD2 ASN 88 -10.529 -2.096 -9.375 708 H GLU 89 H GLU 89 -12.321 -2.675 -5.375 709 HA GLU 89 HA GLU 89 -12.054 -4.896 -3.417 710 1HB GLU 89 2HB GLU 89 -11.505 -2.657 -2.588 711 2HB GLU 89 1HB GLU 89 -13.086 -2.058 -3.077 712 1HG GLU 89 2HG GLU 89 -13.703 -4.274 -1.508 713 2HG GLU 89 1HG GLU 89 -12.320 -3.564 -0.680 714 H ARG 90 H ARG 90 -14.866 -2.735 -3.476 715 HA ARG 90 HA ARG 90 -16.570 -4.866 -4.614 716 1HB ARG 90 2HB ARG 90 -16.547 -4.007 -1.750 717 2HB ARG 90 1HB ARG 90 -18.115 -4.298 -2.499 718 1HG ARG 90 2HG ARG 90 -17.767 -6.549 -2.670 719 2HG ARG 90 1HG ARG 90 -16.051 -6.361 -3.023 720 1HD ARG 90 2HD ARG 90 -16.163 -7.374 -0.860 721 2HD ARG 90 1HD ARG 90 -15.756 -5.680 -0.580 722 HE ARG 90 HE ARG 90 -18.177 -5.328 -0.015 723 1HH1 ARG 90 1HH2 ARG 90 -19.386 -7.820 -0.986 724 2HH1 ARG 90 2HH2 ARG 90 -19.471 -8.801 0.438 725 1HH2 ARG 90 2HH1 ARG 90 -17.192 -6.896 2.218 726 2HH2 ARG 90 1HH1 ARG 90 -18.233 -8.281 2.246 727 H HIS 91 H HIS 91 -19.010 -3.889 -4.354 728 HA HIS 91 HA HIS 91 -18.974 -0.955 -4.745 729 1HB HIS 91 2HB HIS 91 -19.097 -2.841 -6.919 730 2HB HIS 91 1HB HIS 91 -20.647 -2.010 -6.810 731 HD1 HIS 91 HD1 HIS 91 -20.117 -0.633 -8.975 732 HD2 HIS 91 HD2 HIS 91 -17.439 0.023 -5.848 733 HE1 HIS 91 HE1 HIS 91 -18.783 1.429 -9.594 734 H ALA 92 HN ALA 92 -20.413 -0.409 -3.187 735 HA ALA 92 HA ALA 92 -22.841 -2.078 -2.793 736 1HB ALA 92 2HB ALA 92 -21.223 -1.113 -0.920 737 2HB ALA 92 1HB ALA 92 -22.223 0.326 -1.116 738 3HB ALA 92 3HB ALA 92 -22.963 -1.205 -0.646 No H/Q in entry = 738 Start of MODEL 23 Raw file had 756 H/Q atoms Start of MODEL 23 1 1H ALA 1 2H ALA 1 -15.953 13.213 -4.446 2 2H ALA 1 1H ALA 1 -15.935 14.802 -5.050 3 3H ALA 1 3H ALA 1 -17.411 13.992 -4.842 4 HA ALA 1 HA ALA 1 -16.898 12.442 -6.573 5 1HB ALA 1 2HB ALA 1 -17.886 14.613 -7.229 6 2HB ALA 1 1HB ALA 1 -16.267 15.290 -7.403 7 3HB ALA 1 3HB ALA 1 -16.803 14.000 -8.478 8 H ARG 2 H ARG 2 -14.352 14.962 -6.642 9 HA ARG 2 HA ARG 2 -12.459 12.897 -7.653 10 1HB ARG 2 2HB ARG 2 -12.224 15.919 -7.599 11 2HB ARG 2 1HB ARG 2 -11.065 14.810 -8.335 12 1HG ARG 2 2HG ARG 2 -12.846 13.969 -9.840 13 2HG ARG 2 1HG ARG 2 -13.972 15.129 -9.134 14 1HD ARG 2 2HD ARG 2 -13.255 16.395 -10.913 15 2HD ARG 2 1HD ARG 2 -11.992 16.823 -9.760 16 HE ARG 2 HE ARG 2 -11.129 14.498 -11.126 17 1HH1 ARG 2 2HH1 ARG 2 -12.223 15.655 -13.557 18 2HH1 ARG 2 1HH1 ARG 2 -10.991 16.755 -14.081 19 1HH2 ARG 2 1HH2 ARG 2 -9.393 16.848 -11.005 20 2HH2 ARG 2 2HH2 ARG 2 -9.390 17.429 -12.636 21 HA PRO 3 HA PRO 3 -10.940 13.341 -3.452 22 1HB PRO 3 2HB PRO 3 -9.673 10.915 -3.278 23 2HB PRO 3 1HB PRO 3 -11.403 11.140 -2.966 24 1HG PRO 3 2HG PRO 3 -10.069 9.916 -5.323 25 2HG PRO 3 1HG PRO 3 -11.693 9.632 -4.679 26 1HD PRO 3 2HD PRO 3 -11.045 11.221 -6.926 27 2HD PRO 3 1HD PRO 3 -12.609 11.172 -6.091 28 H ALA 4 H ALA 4 -9.083 14.444 -3.047 29 HA ALA 4 HA ALA 4 -6.995 14.776 -4.958 30 1HB ALA 4 2HB ALA 4 -7.162 15.347 -1.993 31 2HB ALA 4 1HB ALA 4 -5.726 15.732 -2.943 32 3HB ALA 4 3HB ALA 4 -7.270 16.495 -3.329 33 H PHE 5 H PHE 5 -7.499 12.339 -2.508 34 HA PHE 5 HA PHE 5 -4.755 11.503 -2.237 35 1HB PHE 5 2HB PHE 5 -6.481 10.859 -0.596 36 2HB PHE 5 1HB PHE 5 -7.324 9.929 -1.833 37 HD1 PHE 5 HD2 PHE 5 -3.914 10.241 -0.286 38 HD2 PHE 5 HD1 PHE 5 -6.856 7.657 -2.050 39 HE1 PHE 5 HE2 PHE 5 -2.469 8.278 0.177 40 HE2 PHE 5 HE1 PHE 5 -5.412 5.695 -1.588 41 HZ PHE 5 HZ PHE 5 -3.218 6.005 -0.476 42 H VAL 6 H VAL 6 -7.397 10.494 -4.424 43 HA VAL 6 HA VAL 6 -5.754 8.436 -5.668 44 HB VAL 6 HB VAL 6 -8.318 9.707 -6.679 45 1HG1 VAL 6 2HG1 VAL 6 -6.702 8.291 -8.218 46 2HG1 VAL 6 1HG1 VAL 6 -7.348 6.929 -7.306 47 3HG1 VAL 6 3HG1 VAL 6 -8.433 7.961 -8.233 48 1HG2 VAL 6 3HG2 VAL 6 -8.473 8.655 -4.404 49 2HG2 VAL 6 2HG2 VAL 6 -9.433 7.811 -5.620 50 3HG2 VAL 6 1HG2 VAL 6 -7.882 7.148 -5.104 51 H ASN 7 H ASN 7 -6.297 11.865 -6.166 52 HA ASN 7 HA ASN 7 -5.306 12.023 -8.872 53 1HB ASN 7 2HB ASN 7 -5.480 13.991 -6.580 54 2HB ASN 7 1HB ASN 7 -4.688 14.430 -8.094 55 1HD2 ASN 7 2HD2 ASN 7 -7.844 15.365 -9.353 56 2HD2 ASN 7 1HD2 ASN 7 -6.240 15.818 -9.034 57 H LYS 8 H LYS 8 -3.764 12.269 -5.683 58 HA LYS 8 HA LYS 8 -1.074 12.568 -6.754 59 1HB LYS 8 2HB LYS 8 -0.376 12.170 -4.394 60 2HB LYS 8 1HB LYS 8 -1.624 13.410 -4.506 61 1HG LYS 8 2HG LYS 8 -3.328 11.871 -3.799 62 2HG LYS 8 1HG LYS 8 -2.237 10.497 -3.954 63 1HD LYS 8 2HD LYS 8 -2.391 11.059 -1.606 64 2HD LYS 8 1HD LYS 8 -0.791 11.538 -2.174 65 1HE LYS 8 2HE LYS 8 -2.901 13.604 -2.435 66 2HE LYS 8 1HE LYS 8 -2.443 13.192 -0.782 67 1HZ LYS 8 1HZ LYS 8 -0.337 13.653 -2.776 68 2HZ LYS 8 3HZ LYS 8 -1.131 14.989 -2.100 69 3HZ LYS 8 2HZ LYS 8 -0.306 13.897 -1.094 70 H LEU 9 H LEU 9 -3.195 9.922 -5.958 71 HA LEU 9 HA LEU 9 -1.359 7.794 -5.612 72 1HB LEU 9 2HB LEU 9 -3.793 7.633 -5.194 73 2HB LEU 9 1HB LEU 9 -4.099 7.788 -6.920 74 HG LEU 9 HG LEU 9 -2.532 5.712 -7.136 75 1HD1 LEU 9 1HD1 LEU 9 -3.413 5.537 -4.239 76 2HD1 LEU 9 3HD1 LEU 9 -2.642 4.235 -5.147 77 3HD1 LEU 9 2HD1 LEU 9 -1.753 5.721 -4.806 78 1HD2 LEU 9 3HD2 LEU 9 -5.359 5.726 -6.064 79 2HD2 LEU 9 2HD2 LEU 9 -4.829 5.532 -7.735 80 3HD2 LEU 9 1HD2 LEU 9 -4.561 4.237 -6.568 81 H TRP 10 H TRP 10 -3.045 8.817 -8.598 82 HA TRP 10 HA TRP 10 -1.650 7.044 -10.344 83 1HB TRP 10 2HB TRP 10 -3.185 9.607 -10.737 84 2HB TRP 10 1HB TRP 10 -2.384 8.821 -12.098 85 HD1 TRP 10 HD1 TRP 10 -2.920 5.887 -11.817 86 HE1 TRP 10 HE1 TRP 10 -5.298 4.886 -11.783 87 HE3 TRP 10 HE3 TRP 10 -5.606 10.004 -10.437 88 HZ2 TRP 10 HZ2 TRP 10 -7.973 5.712 -11.256 89 HZ3 TRP 10 HZ3 TRP 10 -8.064 9.861 -10.170 90 HH2 TRP 10 HH2 TRP 10 -9.253 7.729 -10.582 91 H SER 11 H SER 11 -0.773 10.154 -9.006 92 HA SER 11 HA SER 11 1.189 10.952 -10.905 93 1HB SER 11 2HB SER 11 0.275 12.344 -9.003 94 2HB SER 11 1HB SER 11 1.310 11.423 -7.916 95 HG SER 11 HG SER 11 2.096 13.505 -8.951 96 H MET 12 H MET 12 1.458 8.830 -8.052 97 HA MET 12 HA MET 12 4.337 8.411 -8.586 98 1HB MET 12 2HB MET 12 2.752 6.843 -6.567 99 2HB MET 12 1HB MET 12 4.452 7.295 -6.523 100 1HG MET 12 2HG MET 12 3.770 9.682 -6.224 101 2HG MET 12 1HG MET 12 2.087 9.160 -6.153 102 1HE MET 12 1HE MET 12 1.409 7.093 -4.647 103 2HE MET 12 3HE MET 12 2.918 6.172 -4.613 104 3HE MET 12 2HE MET 12 2.159 6.683 -3.107 105 H VAL 13 H VAL 13 1.286 6.783 -9.103 106 HA VAL 13 HA VAL 13 2.595 4.229 -9.768 107 HB VAL 13 HB VAL 13 -0.321 4.960 -10.093 108 1HG1 VAL 13 3HG1 VAL 13 1.324 2.466 -10.160 109 2HG1 VAL 13 2HG1 VAL 13 -0.307 2.365 -9.495 110 3HG1 VAL 13 1HG1 VAL 13 -0.062 2.921 -11.150 111 1HG2 VAL 13 3HG2 VAL 13 0.621 5.321 -7.736 112 2HG2 VAL 13 2HG2 VAL 13 -0.719 4.182 -7.864 113 3HG2 VAL 13 1HG2 VAL 13 0.931 3.586 -7.704 114 H ASN 14 H ASN 14 2.539 6.986 -11.437 115 HA ASN 14 HA ASN 14 1.450 6.047 -13.982 116 1HB ASN 14 2HB ASN 14 2.119 8.547 -12.873 117 2HB ASN 14 1HB ASN 14 3.247 8.324 -14.209 118 1HD2 ASN 14 2HD2 ASN 14 0.427 7.928 -16.582 119 2HD2 ASN 14 1HD2 ASN 14 1.808 7.041 -16.151 120 H ASP 15 H ASP 15 4.205 5.165 -12.363 121 HA ASP 15 HA ASP 15 6.194 4.146 -13.034 122 1HB ASP 15 2HB ASP 15 4.551 2.892 -14.478 123 2HB ASP 15 1HB ASP 15 4.898 4.043 -15.769 124 H LYS 16 H LYS 16 5.781 7.137 -13.371 125 HA LYS 16 HA LYS 16 7.562 7.700 -15.665 126 1HB LYS 16 2HB LYS 16 5.457 9.112 -14.427 127 2HB LYS 16 1HB LYS 16 6.913 10.025 -14.037 128 1HG LYS 16 2HG LYS 16 6.184 10.902 -16.124 129 2HG LYS 16 1HG LYS 16 7.513 9.815 -16.528 130 1HD LYS 16 2HD LYS 16 5.378 8.092 -16.578 131 2HD LYS 16 1HD LYS 16 4.637 9.584 -17.158 132 1HE LYS 16 2HE LYS 16 7.213 8.451 -18.278 133 2HE LYS 16 1HE LYS 16 5.624 8.146 -18.980 134 1HZ LYS 16 3HZ LYS 16 6.662 10.875 -18.488 135 2HZ LYS 16 2HZ LYS 16 6.900 10.055 -19.955 136 3HZ LYS 16 1HZ LYS 16 5.327 10.423 -19.430 137 H SER 17 H SER 17 7.555 9.116 -12.385 138 HA SER 17 HA SER 17 10.519 9.025 -12.425 139 1HB SER 17 2HB SER 17 10.392 10.561 -10.532 140 2HB SER 17 1HB SER 17 9.353 11.145 -11.829 141 HG SER 17 HG SER 17 8.135 11.217 -9.999 142 H ASN 18 H ASN 18 9.262 6.520 -12.130 143 HA ASN 18 HA ASN 18 10.598 5.385 -9.927 144 1HB ASN 18 2HB ASN 18 8.484 4.791 -8.542 145 2HB ASN 18 1HB ASN 18 9.173 6.398 -8.332 146 1HD2 ASN 18 2HD2 ASN 18 6.159 7.945 -9.233 147 2HD2 ASN 18 1HD2 ASN 18 7.609 7.998 -8.351 148 H GLU 19 H GLU 19 10.150 4.778 -12.610 149 HA GLU 19 HA GLU 19 8.102 2.774 -12.958 150 1HB GLU 19 2HB GLU 19 8.817 3.807 -14.944 151 2HB GLU 19 1HB GLU 19 10.514 3.671 -14.534 152 1HG GLU 19 2HG GLU 19 9.032 1.107 -14.830 153 2HG GLU 19 1HG GLU 19 9.274 2.037 -16.310 154 H LYS 20 H LYS 20 11.328 2.706 -11.618 155 HA LYS 20 HA LYS 20 11.521 -0.231 -11.858 156 1HB LYS 20 2HB LYS 20 13.343 1.974 -11.270 157 2HB LYS 20 1HB LYS 20 13.539 0.653 -10.120 158 1HG LYS 20 2HG LYS 20 13.558 -0.895 -12.192 159 2HG LYS 20 1HG LYS 20 13.829 0.579 -13.123 160 1HD LYS 20 2HD LYS 20 15.941 0.899 -12.273 161 2HD LYS 20 1HD LYS 20 15.539 0.173 -10.718 162 1HE LYS 20 2HE LYS 20 16.170 -1.901 -11.393 163 2HE LYS 20 1HE LYS 20 15.408 -1.718 -12.973 164 1HZ LYS 20 3HZ LYS 20 17.302 -0.222 -13.556 165 2HZ LYS 20 2HZ LYS 20 18.058 -0.704 -12.114 166 3HZ LYS 20 1HZ LYS 20 17.727 -1.847 -13.327 167 H PHE 21 H PHE 21 9.568 1.508 -10.000 168 HA PHE 21 HA PHE 21 9.975 -0.262 -7.633 169 1HB PHE 21 2HB PHE 21 9.099 2.639 -7.565 170 2HB PHE 21 1HB PHE 21 9.299 1.580 -6.168 171 HD1 PHE 21 HD1 PHE 21 11.677 0.326 -6.100 172 HD2 PHE 21 HD2 PHE 21 10.886 4.036 -8.119 173 HE1 PHE 21 HE1 PHE 21 14.092 0.883 -6.024 174 HE2 PHE 21 HE2 PHE 21 13.303 4.591 -8.042 175 HZ PHE 21 HZ PHE 21 14.905 3.015 -6.994 176 H ILE 22 H ILE 22 7.701 1.291 -9.831 177 HA ILE 22 HA ILE 22 5.605 -0.561 -8.909 178 HB ILE 22 HB ILE 22 5.330 1.410 -7.440 179 1HG1 ILE 22 2HG1 ILE 22 3.112 1.514 -9.475 180 2HG1 ILE 22 1HG1 ILE 22 3.377 0.058 -8.513 181 1HG2 ILE 22 1HG2 ILE 22 6.227 2.909 -9.478 182 2HG2 ILE 22 3HG2 ILE 22 4.494 3.109 -9.742 183 3HG2 ILE 22 2HG2 ILE 22 5.211 3.577 -8.201 184 1HD1 ILE 22 1HD1 ILE 22 3.334 1.555 -6.458 185 2HD1 ILE 22 3HD1 ILE 22 2.758 2.844 -7.513 186 3HD1 ILE 22 2HD1 ILE 22 1.792 1.382 -7.298 187 H HIS 23 H HIS 23 3.774 -0.606 -10.444 188 HA HIS 23 HA HIS 23 3.779 0.905 -12.889 189 1HB HIS 23 2HB HIS 23 4.476 -0.970 -14.410 190 2HB HIS 23 1HB HIS 23 5.795 -0.341 -13.422 191 HD1 HIS 23 HD1 HIS 23 3.902 -3.418 -14.145 192 HD2 HIS 23 HD2 HIS 23 6.411 -2.052 -11.108 193 HE1 HIS 23 HE1 HIS 23 4.585 -5.458 -12.806 194 H TRP 24 H TRP 24 2.043 0.207 -14.319 195 HA TRP 24 HA TRP 24 -0.181 -0.980 -12.917 196 1HB TRP 24 2HB TRP 24 0.165 -0.451 -15.886 197 2HB TRP 24 1HB TRP 24 -1.360 -0.799 -15.078 198 HD1 TRP 24 HD1 TRP 24 -0.843 1.052 -12.490 199 HE1 TRP 24 HE1 TRP 24 -1.014 3.610 -12.750 200 HE3 TRP 24 HE3 TRP 24 -0.174 1.482 -17.540 201 HZ2 TRP 24 HZ2 TRP 24 -0.888 5.577 -14.816 202 HZ3 TRP 24 HZ3 TRP 24 -0.206 3.711 -18.623 203 HH2 TRP 24 HH2 TRP 24 -0.564 5.756 -17.269 204 H SER 25 H SER 25 -1.430 -2.849 -14.098 205 HA SER 25 HA SER 25 0.186 -5.215 -13.937 206 1HB SER 25 2HB SER 25 -2.630 -4.570 -14.613 207 2HB SER 25 1HB SER 25 -2.013 -6.084 -15.269 208 HG SER 25 HG SER 25 -2.258 -6.855 -13.340 209 H THR 26 H THR 26 -1.373 -3.648 -16.759 210 HA THR 26 HA THR 26 0.910 -4.324 -18.457 211 HB THR 26 HB THR 26 -1.779 -5.583 -19.069 212 HG1 THR 26 HG1 THR 26 -1.026 -6.901 -17.582 213 1HG2 THR 26 1HG2 THR 26 -0.182 -4.871 -20.957 214 2HG2 THR 26 3HG2 THR 26 0.892 -6.137 -20.361 215 3HG2 THR 26 2HG2 THR 26 -0.717 -6.551 -20.953 216 H SER 27 H SER 27 -2.586 -3.751 -18.980 217 HA SER 27 HA SER 27 -1.866 -1.172 -20.304 218 1HB SER 27 2HB SER 27 -4.044 -3.007 -21.317 219 2HB SER 27 1HB SER 27 -3.332 -1.616 -22.130 220 HG SER 27 HG SER 27 -2.614 -3.931 -22.627 221 H GLY 28 H GLY 28 -2.836 -1.640 -17.605 222 1HA GLY 28 2HA GLY 28 -4.316 -0.127 -16.396 223 2HA GLY 28 1HA GLY 28 -5.392 -0.120 -17.795 224 H GLU 29 H GLU 29 -4.289 -2.055 -15.053 225 HA GLU 29 HA GLU 29 -6.899 -3.455 -15.069 226 1HB GLU 29 2HB GLU 29 -4.802 -4.718 -16.236 227 2HB GLU 29 1HB GLU 29 -4.551 -5.203 -14.559 228 1HG GLU 29 2HG GLU 29 -6.702 -6.209 -14.417 229 2HG GLU 29 1HG GLU 29 -7.248 -5.432 -15.904 230 H SER 30 H SER 30 -3.736 -3.181 -13.421 231 HA SER 30 HA SER 30 -4.966 -2.392 -10.922 232 1HB SER 30 2HB SER 30 -4.074 -4.488 -9.699 233 2HB SER 30 1HB SER 30 -5.579 -4.653 -10.600 234 HG SER 30 HG SER 30 -4.119 -6.340 -11.084 235 H ILE 31 H ILE 31 -3.076 -2.838 -9.097 236 HA ILE 31 HA ILE 31 -0.622 -1.668 -10.327 237 HB ILE 31 HB ILE 31 -1.412 -1.730 -7.399 238 1HG1 ILE 31 2HG1 ILE 31 -1.671 0.599 -9.320 239 2HG1 ILE 31 1HG1 ILE 31 -3.016 -0.479 -8.946 240 1HG2 ILE 31 1HG2 ILE 31 1.043 -1.354 -8.294 241 2HG2 ILE 31 3HG2 ILE 31 0.435 0.250 -8.702 242 3HG2 ILE 31 2HG2 ILE 31 0.401 -0.308 -7.029 243 1HD1 ILE 31 1HD1 ILE 31 -1.429 0.972 -6.815 244 2HD1 ILE 31 3HD1 ILE 31 -2.903 1.627 -7.530 245 3HD1 ILE 31 2HD1 ILE 31 -2.959 0.117 -6.621 246 H VAL 32 H VAL 32 1.402 -2.615 -9.955 247 HA VAL 32 HA VAL 32 1.387 -5.229 -8.498 248 HB VAL 32 HB VAL 32 2.892 -4.560 -11.051 249 1HG1 VAL 32 1HG1 VAL 32 3.055 -6.759 -9.074 250 2HG1 VAL 32 3HG1 VAL 32 2.972 -7.277 -10.758 251 3HG1 VAL 32 2HG1 VAL 32 4.260 -6.195 -10.231 252 1HG2 VAL 32 2HG2 VAL 32 0.473 -6.307 -10.502 253 2HG2 VAL 32 1HG2 VAL 32 0.525 -4.858 -11.507 254 3HG2 VAL 32 3HG2 VAL 32 1.374 -6.318 -12.018 255 H VAL 33 H VAL 33 2.856 -5.265 -6.872 256 HA VAL 33 HA VAL 33 4.976 -3.164 -6.852 257 HB VAL 33 HB VAL 33 3.997 -4.887 -4.559 258 1HG1 VAL 33 2HG1 VAL 33 5.988 -2.683 -4.884 259 2HG1 VAL 33 1HG1 VAL 33 5.039 -2.718 -3.398 260 3HG1 VAL 33 3HG1 VAL 33 6.043 -4.101 -3.836 261 1HG2 VAL 33 3HG2 VAL 33 2.920 -2.421 -5.789 262 2HG2 VAL 33 2HG2 VAL 33 2.126 -3.594 -4.739 263 3HG2 VAL 33 1HG2 VAL 33 3.137 -2.331 -4.040 264 HA PRO 34 HA PRO 34 7.471 -6.851 -7.506 265 1HB PRO 34 2HB PRO 34 9.594 -5.615 -8.731 266 2HB PRO 34 1HB PRO 34 8.145 -6.152 -9.598 267 1HG PRO 34 2HG PRO 34 8.973 -3.395 -8.856 268 2HG PRO 34 1HG PRO 34 7.929 -3.938 -10.180 269 1HD PRO 34 2HD PRO 34 7.062 -2.805 -7.740 270 2HD PRO 34 1HD PRO 34 6.043 -3.629 -8.934 271 H ASN 35 H ASN 35 8.462 -3.706 -6.249 272 HA ASN 35 HA ASN 35 10.090 -5.097 -4.184 273 1HB ASN 35 2HB ASN 35 11.015 -2.944 -6.077 274 2HB ASN 35 1HB ASN 35 11.735 -3.092 -4.474 275 1HD2 ASN 35 2HD2 ASN 35 12.604 -5.857 -7.339 276 2HD2 ASN 35 1HD2 ASN 35 11.448 -4.648 -7.629 277 H ARG 36 H ARG 36 8.256 -4.578 -2.819 278 HA ARG 36 HA ARG 36 7.332 -1.860 -2.450 279 1HB ARG 36 2HB ARG 36 6.193 -4.143 -1.841 280 2HB ARG 36 1HB ARG 36 7.100 -3.988 -0.337 281 1HG ARG 36 2HG ARG 36 6.121 -1.562 -0.296 282 2HG ARG 36 1HG ARG 36 4.932 -2.210 -1.425 283 1HD ARG 36 2HD ARG 36 5.130 -4.132 0.630 284 2HD ARG 36 1HD ARG 36 5.098 -2.568 1.445 285 HE ARG 36 HE ARG 36 3.048 -3.021 -0.641 286 1HH1 ARG 36 1HH2 ARG 36 3.447 -4.254 2.402 287 2HH1 ARG 36 2HH2 ARG 36 2.067 -3.484 3.110 288 1HH2 ARG 36 2HH1 ARG 36 1.486 -1.416 0.390 289 2HH2 ARG 36 1HH1 ARG 36 0.958 -1.878 1.975 290 H GLU 37 H GLU 37 9.931 -3.764 -1.083 291 HA GLU 37 HA GLU 37 10.360 -2.240 1.297 292 1HB GLU 37 2HB GLU 37 12.622 -3.255 1.284 293 2HB GLU 37 1HB GLU 37 11.368 -4.453 0.971 294 1HG GLU 37 2HG GLU 37 11.796 -4.248 -1.465 295 2HG GLU 37 1HG GLU 37 13.077 -3.084 -1.130 296 H ARG 38 H ARG 38 11.544 -1.797 -2.020 297 HA ARG 38 HA ARG 38 13.216 0.488 -1.179 298 1HB ARG 38 2HB ARG 38 12.720 -0.868 -3.833 299 2HB ARG 38 1HB ARG 38 13.692 0.595 -3.680 300 1HG ARG 38 2HG ARG 38 14.940 -0.754 -1.806 301 2HG ARG 38 1HG ARG 38 14.241 -2.161 -2.608 302 1HD ARG 38 2HD ARG 38 15.829 -2.061 -4.197 303 2HD ARG 38 1HD ARG 38 15.330 -0.425 -4.619 304 HE ARG 38 HE ARG 38 17.026 0.436 -3.125 305 1HH1 ARG 38 2HH1 ARG 38 17.399 -1.109 -0.858 306 2HH1 ARG 38 1HH1 ARG 38 18.700 -2.198 -1.209 307 1HH2 ARG 38 1HH2 ARG 38 18.483 -1.779 -4.641 308 2HH2 ARG 38 2HH2 ARG 38 19.313 -2.576 -3.348 309 H PHE 39 H PHE 39 10.153 -0.121 -2.780 310 HA PHE 39 HA PHE 39 9.695 2.408 -3.969 311 1HB PHE 39 2HB PHE 39 8.186 0.638 -4.492 312 2HB PHE 39 1HB PHE 39 7.848 0.315 -2.796 313 HD1 PHE 39 HD1 PHE 39 7.180 2.590 -5.636 314 HD2 PHE 39 HD2 PHE 39 6.269 1.663 -1.545 315 HE1 PHE 39 HE1 PHE 39 5.226 4.116 -5.726 316 HE2 PHE 39 HE2 PHE 39 4.319 3.191 -1.630 317 HZ PHE 39 HZ PHE 39 3.797 4.419 -3.721 318 H VAL 40 H VAL 40 8.362 1.331 -0.825 319 HA VAL 40 HA VAL 40 7.343 3.748 0.075 320 HB VAL 40 HB VAL 40 8.765 1.718 1.814 321 1HG1 VAL 40 1HG1 VAL 40 7.755 4.118 2.587 322 2HG1 VAL 40 3HG1 VAL 40 6.303 3.126 2.695 323 3HG1 VAL 40 2HG1 VAL 40 7.740 2.688 3.616 324 1HG2 VAL 40 2HG2 VAL 40 6.087 1.739 0.446 325 2HG2 VAL 40 1HG2 VAL 40 7.238 0.414 0.616 326 3HG2 VAL 40 3HG2 VAL 40 6.267 0.921 1.998 327 H GLN 41 H GLN 41 10.753 2.775 0.163 328 HA GLN 41 HA GLN 41 11.568 4.938 1.902 329 1HB GLN 41 2HB GLN 41 12.770 2.671 1.213 330 2HB GLN 41 1HB GLN 41 13.503 3.711 -0.009 331 1HG GLN 41 2HG GLN 41 13.410 4.580 2.872 332 2HG GLN 41 1HG GLN 41 14.683 3.497 2.308 333 1HE2 GLN 41 2HE2 GLN 41 16.393 6.019 0.490 334 2HE2 GLN 41 1HE2 GLN 41 16.281 4.360 0.829 335 H GLU 42 H GLU 42 12.264 4.475 -1.598 336 HA GLU 42 HA GLU 42 12.834 7.370 -1.788 337 1HB GLU 42 2HB GLU 42 13.268 5.026 -3.637 338 2HB GLU 42 1HB GLU 42 13.495 6.691 -4.175 339 1HG GLU 42 2HG GLU 42 15.303 7.050 -2.746 340 2HG GLU 42 1HG GLU 42 14.806 5.773 -1.636 341 H VAL 43 H VAL 43 10.001 6.369 -1.530 342 HA VAL 43 HA VAL 43 8.973 7.906 -3.837 343 HB VAL 43 HB VAL 43 7.846 5.149 -3.280 344 1HG1 VAL 43 3HG1 VAL 43 7.385 7.300 -5.345 345 2HG1 VAL 43 2HG1 VAL 43 6.924 5.623 -5.637 346 3HG1 VAL 43 1HG1 VAL 43 6.201 6.516 -4.298 347 1HG2 VAL 43 3HG2 VAL 43 9.786 6.076 -5.426 348 2HG2 VAL 43 2HG2 VAL 43 10.114 4.888 -4.165 349 3HG2 VAL 43 1HG2 VAL 43 8.951 4.522 -5.438 350 H LEU 44 H LEU 44 8.228 6.259 -0.746 351 HA LEU 44 HA LEU 44 5.596 7.394 -0.522 352 1HB LEU 44 2HB LEU 44 6.575 5.423 0.808 353 2HB LEU 44 1HB LEU 44 7.298 6.646 1.851 354 HG LEU 44 HG LEU 44 5.025 7.658 2.152 355 1HD1 LEU 44 3HD1 LEU 44 4.273 5.251 0.489 356 2HD1 LEU 44 2HD1 LEU 44 3.116 6.023 1.573 357 3HD1 LEU 44 1HD1 LEU 44 3.822 6.937 0.241 358 1HD2 LEU 44 1HD2 LEU 44 6.157 5.664 3.537 359 2HD2 LEU 44 3HD2 LEU 44 4.538 6.252 3.917 360 3HD2 LEU 44 2HD2 LEU 44 4.741 4.793 2.948 361 HA PRO 45 HA PRO 45 7.527 10.813 2.029 362 1HB PRO 45 2HB PRO 45 10.235 11.240 2.009 363 2HB PRO 45 1HB PRO 45 9.412 10.232 3.212 364 1HG PRO 45 2HG PRO 45 11.102 9.404 0.912 365 2HG PRO 45 1HG PRO 45 10.771 8.552 2.431 366 1HD PRO 45 2HD PRO 45 9.584 8.006 -0.081 367 2HD PRO 45 1HD PRO 45 9.066 7.374 1.489 368 H LYS 46 H LYS 46 8.913 10.021 -1.076 369 HA LYS 46 HA LYS 46 9.835 12.557 -1.922 370 1HB LYS 46 2HB LYS 46 9.069 10.023 -3.182 371 2HB LYS 46 1HB LYS 46 8.765 11.417 -4.216 372 1HG LYS 46 2HG LYS 46 11.398 10.850 -2.817 373 2HG LYS 46 1HG LYS 46 11.065 10.493 -4.509 374 1HD LYS 46 2HD LYS 46 10.442 12.980 -4.737 375 2HD LYS 46 1HD LYS 46 11.229 13.196 -3.175 376 1HE LYS 46 2HE LYS 46 12.561 11.909 -5.574 377 2HE LYS 46 1HE LYS 46 12.757 13.603 -5.126 378 1HZ LYS 46 1HZ LYS 46 13.370 12.601 -2.834 379 2HZ LYS 46 3HZ LYS 46 13.687 11.192 -3.724 380 3HZ LYS 46 2HZ LYS 46 14.529 12.625 -4.076 381 H TYR 47 H TYR 47 6.547 11.195 -1.977 382 HA TYR 47 HA TYR 47 5.542 13.794 -3.035 383 1HB TYR 47 2HB TYR 47 4.165 11.109 -2.729 384 2HB TYR 47 1HB TYR 47 3.418 12.558 -3.403 385 HD1 TYR 47 HD2 TYR 47 6.422 10.354 -3.818 386 HD2 TYR 47 HD1 TYR 47 3.609 13.002 -5.698 387 HE1 TYR 47 HE2 TYR 47 7.413 9.835 -6.032 388 HE2 TYR 47 HE1 TYR 47 4.601 12.484 -7.912 389 HH TYR 47 HH TYR 47 5.908 10.685 -8.966 390 H PHE 48 H PHE 48 5.290 11.601 -0.273 391 HA PHE 48 HA PHE 48 3.424 13.475 1.077 392 1HB PHE 48 2HB PHE 48 4.444 10.724 1.839 393 2HB PHE 48 1HB PHE 48 3.372 11.691 2.850 394 HD1 PHE 48 HD1 PHE 48 1.096 12.334 2.001 395 HD2 PHE 48 HD2 PHE 48 3.626 9.558 -0.085 396 HE1 PHE 48 HE1 PHE 48 -0.856 11.538 0.694 397 HE2 PHE 48 HE2 PHE 48 1.673 8.762 -1.392 398 HZ PHE 48 HZ PHE 48 -0.568 9.753 -1.002 399 H LYS 49 H LYS 49 4.062 13.469 3.646 400 HA LYS 49 HA LYS 49 6.930 14.323 3.759 401 1HB LYS 49 2HB LYS 49 4.471 15.571 5.004 402 2HB LYS 49 1HB LYS 49 6.107 15.961 5.535 403 1HG LYS 49 2HG LYS 49 5.324 16.126 2.626 404 2HG LYS 49 1HG LYS 49 5.050 17.477 3.726 405 1HD LYS 49 2HD LYS 49 7.260 17.998 3.840 406 2HD LYS 49 1HD LYS 49 7.754 16.306 3.908 407 1HE LYS 49 2HE LYS 49 7.654 16.067 1.550 408 2HE LYS 49 1HE LYS 49 6.722 17.551 1.357 409 1HZ LYS 49 1HZ LYS 49 9.380 17.698 2.595 410 2HZ LYS 49 3HZ LYS 49 9.277 17.522 0.911 411 3HZ LYS 49 2HZ LYS 49 8.553 18.859 1.667 412 H HIS 50 H HIS 50 4.170 13.132 5.690 413 HA HIS 50 HA HIS 50 6.113 11.586 7.331 414 1HB HIS 50 2HB HIS 50 4.012 13.514 8.329 415 2HB HIS 50 1HB HIS 50 4.596 12.192 9.340 416 HD1 HIS 50 HD1 HIS 50 7.137 12.242 10.029 417 HD2 HIS 50 HD2 HIS 50 5.843 15.635 7.980 418 HE1 HIS 50 HE1 HIS 50 8.934 14.000 10.345 419 H SER 51 H SER 51 5.034 10.082 5.594 420 HA SER 51 HA SER 51 2.601 8.874 6.847 421 1HB SER 51 2HB SER 51 1.880 9.885 4.777 422 2HB SER 51 1HB SER 51 3.251 9.205 3.906 423 HG SER 51 HG SER 51 1.756 7.730 3.503 424 H ASN 52 H ASN 52 2.487 6.551 6.681 425 HA ASN 52 HA ASN 52 5.097 5.251 6.002 426 1HB ASN 52 2HB ASN 52 3.313 4.954 8.394 427 2HB ASN 52 1HB ASN 52 4.244 3.560 7.843 428 1HD2 ASN 52 2HD2 ASN 52 6.144 6.172 10.102 429 2HD2 ASN 52 1HD2 ASN 52 4.470 5.895 10.103 430 H PHE 53 H PHE 53 4.849 2.918 5.440 431 HA PHE 53 HA PHE 53 2.991 2.460 3.374 432 1HB PHE 53 2HB PHE 53 3.508 -0.026 3.807 433 2HB PHE 53 1HB PHE 53 4.877 1.022 3.438 434 HD1 PHE 53 HD2 PHE 53 2.954 -0.443 6.296 435 HD2 PHE 53 HD1 PHE 53 6.682 1.210 4.944 436 HE1 PHE 53 HE2 PHE 53 4.008 -1.053 8.457 437 HE2 PHE 53 HE1 PHE 53 7.736 0.601 7.105 438 HZ PHE 53 HZ PHE 53 6.399 -0.531 8.861 439 H ALA 54 H ALA 54 2.627 1.918 6.833 440 HA ALA 54 HA ALA 54 0.280 0.264 6.703 441 1HB ALA 54 1HB ALA 54 1.301 2.160 8.837 442 2HB ALA 54 3HB ALA 54 -0.096 1.107 9.060 443 3HB ALA 54 2HB ALA 54 1.499 0.409 8.783 444 H SER 55 H SER 55 0.714 3.796 7.009 445 HA SER 55 HA SER 55 -2.079 4.435 7.088 446 1HB SER 55 2HB SER 55 -0.054 5.961 7.604 447 2HB SER 55 1HB SER 55 0.025 6.221 5.864 448 HG SER 55 HG SER 55 -1.368 7.741 6.432 449 H PHE 56 H PHE 56 0.155 3.764 4.464 450 HA PHE 56 HA PHE 56 -1.409 4.767 2.293 451 1HB PHE 56 2HB PHE 56 0.946 4.128 2.013 452 2HB PHE 56 1HB PHE 56 0.561 2.454 2.404 453 HD1 PHE 56 HD2 PHE 56 -1.025 5.027 0.163 454 HD2 PHE 56 HD1 PHE 56 0.694 1.106 0.514 455 HE1 PHE 56 HE2 PHE 56 -1.557 4.579 -2.219 456 HE2 PHE 56 HE1 PHE 56 0.161 0.658 -1.867 457 HZ PHE 56 HZ PHE 56 -0.964 2.395 -3.232 458 H VAL 57 H VAL 57 -1.186 1.475 3.677 459 HA VAL 57 HA VAL 57 -3.163 0.271 2.031 460 HB VAL 57 HB VAL 57 -2.679 -0.464 4.930 461 1HG1 VAL 57 3HG1 VAL 57 -4.497 -1.541 3.414 462 2HG1 VAL 57 2HG1 VAL 57 -3.140 -2.297 2.580 463 3HG1 VAL 57 1HG1 VAL 57 -3.409 -2.615 4.294 464 1HG2 VAL 57 1HG2 VAL 57 -0.891 -0.657 2.552 465 2HG2 VAL 57 3HG2 VAL 57 -0.477 -0.541 4.262 466 3HG2 VAL 57 2HG2 VAL 57 -0.989 -2.085 3.582 467 H ARG 58 H ARG 58 -3.460 2.239 4.939 468 HA ARG 58 HA ARG 58 -6.216 1.636 5.489 469 1HB ARG 58 2HB ARG 58 -4.275 3.741 6.306 470 2HB ARG 58 1HB ARG 58 -5.988 4.116 6.504 471 1HG ARG 58 2HG ARG 58 -6.034 1.650 7.523 472 2HG ARG 58 1HG ARG 58 -4.340 2.016 7.849 473 1HD ARG 58 2HD ARG 58 -4.869 3.823 9.253 474 2HD ARG 58 1HD ARG 58 -6.488 3.998 8.574 475 HE ARG 58 HE ARG 58 -6.931 1.710 9.710 476 1HH1 ARG 58 2HH1 ARG 58 -4.229 1.413 10.926 477 2HH1 ARG 58 1HH1 ARG 58 -4.460 2.061 12.515 478 1HH2 ARG 58 1HH2 ARG 58 -7.423 3.673 11.715 479 2HH2 ARG 58 2HH2 ARG 58 -6.268 3.339 12.962 480 H GLN 59 H GLN 59 -4.698 4.267 3.601 481 HA GLN 59 HA GLN 59 -7.109 5.636 2.943 482 1HB GLN 59 2HB GLN 59 -4.614 5.405 1.230 483 2HB GLN 59 1HB GLN 59 -5.849 6.656 1.114 484 1HG GLN 59 2HG GLN 59 -4.076 6.156 3.524 485 2HG GLN 59 1HG GLN 59 -3.889 7.471 2.368 486 1HE2 GLN 59 2HE2 GLN 59 -6.290 8.085 5.457 487 2HE2 GLN 59 1HE2 GLN 59 -5.045 6.932 5.403 488 H LEU 60 H LEU 60 -5.399 3.013 1.245 489 HA LEU 60 HA LEU 60 -7.098 2.890 -1.032 490 1HB LEU 60 2HB LEU 60 -5.547 0.676 0.344 491 2HB LEU 60 1HB LEU 60 -6.254 0.558 -1.267 492 HG LEU 60 HG LEU 60 -4.340 2.775 -0.538 493 1HD1 LEU 60 3HD1 LEU 60 -3.800 -0.084 -1.182 494 2HD1 LEU 60 2HD1 LEU 60 -2.792 1.119 -1.988 495 3HD1 LEU 60 1HD1 LEU 60 -2.849 1.053 -0.227 496 1HD2 LEU 60 3HD2 LEU 60 -5.385 1.539 -3.095 497 2HD2 LEU 60 2HD2 LEU 60 -5.536 3.212 -2.557 498 3HD2 LEU 60 1HD2 LEU 60 -3.968 2.588 -3.070 499 H ASN 61 H ASN 61 -7.367 1.285 2.138 500 HA ASN 61 HA ASN 61 -9.730 -0.230 1.387 501 1HB ASN 61 2HB ASN 61 -8.145 0.225 3.858 502 2HB ASN 61 1HB ASN 61 -9.835 -0.222 4.088 503 1HD2 ASN 61 2HD2 ASN 61 -7.643 -2.911 1.877 504 2HD2 ASN 61 1HD2 ASN 61 -7.484 -1.252 1.553 505 H MET 62 H MET 62 -9.227 3.046 2.399 506 HA MET 62 HA MET 62 -11.978 3.327 3.421 507 1HB MET 62 2HB MET 62 -9.559 4.678 3.865 508 2HB MET 62 1HB MET 62 -10.552 5.831 2.977 509 1HG MET 62 2HG MET 62 -11.872 6.200 4.771 510 2HG MET 62 1HG MET 62 -12.135 4.475 5.010 511 1HE MET 62 1HE MET 62 -10.648 2.976 5.747 512 2HE MET 62 3HE MET 62 -9.251 3.176 6.814 513 3HE MET 62 2HE MET 62 -10.883 3.258 7.470 514 H TYR 63 H TYR 63 -10.228 3.889 0.441 515 HA TYR 63 HA TYR 63 -12.383 5.587 -0.647 516 1HB TYR 63 2HB TYR 63 -9.719 4.640 -1.671 517 2HB TYR 63 1HB TYR 63 -10.908 5.318 -2.784 518 HD1 TYR 63 HD2 TYR 63 -12.030 7.579 -2.000 519 HD2 TYR 63 HD1 TYR 63 -8.272 6.089 -0.545 520 HE1 TYR 63 HE2 TYR 63 -11.405 9.866 -1.273 521 HE2 TYR 63 HE1 TYR 63 -7.648 8.376 0.183 522 HH TYR 63 HH TYR 63 -9.115 11.105 -0.869 523 H GLY 64 H GLY 64 -10.949 2.389 -1.403 524 1HA GLY 64 2HA GLY 64 -13.101 0.803 -1.733 525 2HA GLY 64 1HA GLY 64 -13.238 1.799 -3.181 526 H TRP 65 H TRP 65 -10.556 0.155 -1.467 527 HA TRP 65 HA TRP 65 -9.751 -1.005 -4.107 528 1HB TRP 65 2HB TRP 65 -8.096 0.155 -1.879 529 2HB TRP 65 1HB TRP 65 -7.409 -1.057 -2.957 530 HD1 TRP 65 HD1 TRP 65 -8.654 2.535 -2.874 531 HE1 TRP 65 HE1 TRP 65 -7.974 3.706 -5.068 532 HE3 TRP 65 HE3 TRP 65 -6.880 -1.469 -5.502 533 HZ2 TRP 65 HZ2 TRP 65 -6.828 3.035 -7.601 534 HZ3 TRP 65 HZ3 TRP 65 -6.001 -1.175 -7.801 535 HH2 TRP 65 HH2 TRP 65 -5.974 1.070 -8.853 536 H HIS 66 H HIS 66 -9.955 -3.181 -4.122 537 HA HIS 66 HA HIS 66 -10.004 -4.621 -1.512 538 1HB HIS 66 2HB HIS 66 -11.042 -5.314 -4.267 539 2HB HIS 66 1HB HIS 66 -10.955 -6.498 -2.962 540 HD1 HIS 66 HD1 HIS 66 -12.992 -6.606 -1.534 541 HD2 HIS 66 HD2 HIS 66 -12.569 -2.855 -3.304 542 HE1 HIS 66 HE1 HIS 66 -15.006 -5.247 -0.822 543 H LYS 67 H LYS 67 -7.896 -5.120 -1.044 544 HA LYS 67 HA LYS 67 -5.958 -5.873 -3.066 545 1HB LYS 67 2HB LYS 67 -4.534 -6.449 -1.088 546 2HB LYS 67 1HB LYS 67 -5.209 -4.822 -1.000 547 1HG LYS 67 2HG LYS 67 -6.777 -5.419 0.637 548 2HG LYS 67 1HG LYS 67 -6.683 -7.134 0.240 549 1HD LYS 67 2HD LYS 67 -4.135 -5.920 1.131 550 2HD LYS 67 1HD LYS 67 -5.397 -5.991 2.360 551 1HE LYS 67 2HE LYS 67 -5.654 -8.474 1.351 552 2HE LYS 67 1HE LYS 67 -3.945 -8.210 1.005 553 1HZ LYS 67 2HZ LYS 67 -5.010 -7.544 3.664 554 2HZ LYS 67 1HZ LYS 67 -4.663 -9.163 3.286 555 3HZ LYS 67 3HZ LYS 67 -3.434 -7.996 3.218 556 H VAL 68 H VAL 68 -4.694 -8.054 -2.557 557 HA VAL 68 HA VAL 68 -6.668 -10.214 -2.908 558 HB VAL 68 HB VAL 68 -3.635 -10.337 -2.932 559 1HG1 VAL 68 3HG1 VAL 68 -5.849 -12.238 -3.687 560 2HG1 VAL 68 2HG1 VAL 68 -4.262 -12.359 -4.449 561 3HG1 VAL 68 1HG1 VAL 68 -4.419 -12.545 -2.702 562 1HG2 VAL 68 1HG2 VAL 68 -4.749 -8.769 -4.625 563 2HG2 VAL 68 3HG2 VAL 68 -3.740 -10.048 -5.303 564 3HG2 VAL 68 2HG2 VAL 68 -5.496 -10.211 -5.315 565 H GLN 69 H GLN 69 -7.371 -11.375 -1.191 566 HA GLN 69 HA GLN 69 -6.204 -11.088 1.441 567 1HB GLN 69 2HB GLN 69 -8.662 -11.815 0.565 568 2HB GLN 69 1HB GLN 69 -7.980 -13.407 0.899 569 1HG GLN 69 2HG GLN 69 -7.188 -11.991 3.120 570 2HG GLN 69 1HG GLN 69 -8.758 -11.265 2.773 571 1HE2 GLN 69 2HE2 GLN 69 -10.347 -14.630 2.995 572 2HE2 GLN 69 1HE2 GLN 69 -10.231 -13.423 1.807 573 H ASP 70 H ASP 70 -6.683 -14.124 -0.418 574 HA ASP 70 HA ASP 70 -3.933 -14.921 -0.312 575 1HB ASP 70 2HB ASP 70 -4.511 -15.019 2.141 576 2HB ASP 70 1HB ASP 70 -5.693 -16.271 1.753 577 H VAL 71 H VAL 71 -6.015 -14.982 -2.246 578 HA VAL 71 HA VAL 71 -7.025 -17.726 -2.437 579 HB VAL 71 HB VAL 71 -7.015 -15.548 -4.547 580 1HG1 VAL 71 1HG1 VAL 71 -7.470 -18.041 -5.119 581 2HG1 VAL 71 3HG1 VAL 71 -8.979 -17.816 -4.234 582 3HG1 VAL 71 2HG1 VAL 71 -8.643 -16.842 -5.666 583 1HG2 VAL 71 3HG2 VAL 71 -9.038 -16.229 -2.390 584 2HG2 VAL 71 2HG2 VAL 71 -8.142 -14.720 -2.555 585 3HG2 VAL 71 1HG2 VAL 71 -9.364 -15.154 -3.749 586 H LYS 72 H LYS 72 -4.928 -18.833 -2.379 587 HA LYS 72 HA LYS 72 -3.752 -19.054 -5.088 588 1HB LYS 72 2HB LYS 72 -2.268 -18.196 -2.616 589 2HB LYS 72 1HB LYS 72 -1.435 -19.140 -3.852 590 1HG LYS 72 2HG LYS 72 -1.970 -17.484 -5.551 591 2HG LYS 72 1HG LYS 72 -2.949 -16.572 -4.401 592 1HD LYS 72 2HD LYS 72 -0.822 -16.395 -2.973 593 2HD LYS 72 1HD LYS 72 0.048 -16.956 -4.401 594 1HE LYS 72 2HE LYS 72 -1.847 -14.783 -4.975 595 2HE LYS 72 1HE LYS 72 -0.566 -14.321 -3.855 596 1HZ LYS 72 3HZ LYS 72 1.041 -15.270 -5.454 597 2HZ LYS 72 2HZ LYS 72 -0.233 -15.520 -6.550 598 3HZ LYS 72 1HZ LYS 72 0.185 -13.943 -6.073 599 H SER 73 H SER 73 -3.177 -21.169 -5.543 600 HA SER 73 HA SER 73 -4.001 -23.220 -3.646 601 1HB SER 73 2HB SER 73 -2.676 -23.375 -6.364 602 2HB SER 73 1HB SER 73 -3.184 -24.786 -5.440 603 HG SER 73 HG SER 73 -5.026 -24.423 -6.396 604 H GLY 74 H GLY 74 -0.873 -22.756 -5.345 605 1HA GLY 74 2HA GLY 74 1.101 -22.476 -3.711 606 2HA GLY 74 1HA GLY 74 0.457 -23.924 -2.936 607 H SER 75 H SER 75 0.352 -25.894 -4.270 608 HA SER 75 HA SER 75 1.104 -27.411 -5.899 609 1HB SER 75 2HB SER 75 1.197 -25.241 -7.422 610 2HB SER 75 1HB SER 75 2.933 -25.411 -7.180 611 HG SER 75 HG SER 75 1.124 -27.047 -8.527 612 H MET 76 H MET 76 3.871 -25.180 -5.404 613 HA MET 76 HA MET 76 5.172 -26.937 -3.524 614 1HB MET 76 2HB MET 76 5.359 -27.886 -6.077 615 2HB MET 76 1HB MET 76 6.798 -26.870 -5.998 616 1HG MET 76 2HG MET 76 7.678 -28.070 -4.147 617 2HG MET 76 1HG MET 76 6.130 -28.846 -3.812 618 1HE MET 76 1HE MET 76 9.024 -28.265 -5.722 619 2HE MET 76 3HE MET 76 9.631 -29.916 -5.909 620 3HE MET 76 2HE MET 76 8.858 -29.099 -7.265 621 H LEU 77 H LEU 77 6.097 -24.721 -6.197 622 HA LEU 77 HA LEU 77 8.128 -23.421 -4.577 623 1HB LEU 77 2HB LEU 77 7.622 -23.558 -7.270 624 2HB LEU 77 1HB LEU 77 7.056 -21.929 -6.896 625 HG LEU 77 HG LEU 77 9.686 -22.820 -5.774 626 1HD1 LEU 77 3HD1 LEU 77 9.119 -22.106 -8.654 627 2HD1 LEU 77 2HD1 LEU 77 10.700 -21.823 -7.926 628 3HD1 LEU 77 1HD1 LEU 77 10.057 -23.461 -8.026 629 1HD2 LEU 77 3HD2 LEU 77 8.522 -20.607 -5.269 630 2HD2 LEU 77 2HD2 LEU 77 10.174 -20.475 -5.873 631 3HD2 LEU 77 1HD2 LEU 77 8.813 -20.171 -6.954 632 H SER 78 H SER 78 5.018 -22.237 -5.914 633 HA SER 78 HA SER 78 3.526 -20.626 -5.101 634 1HB SER 78 2HB SER 78 3.841 -22.241 -3.051 635 2HB SER 78 1HB SER 78 4.752 -20.896 -2.371 636 HG SER 78 HG SER 78 2.692 -20.505 -1.783 637 H ASN 79 H ASN 79 4.264 -18.739 -6.053 638 HA ASN 79 HA ASN 79 6.551 -17.291 -4.856 639 1HB ASN 79 2HB ASN 79 5.880 -17.520 -7.424 640 2HB ASN 79 1HB ASN 79 4.859 -16.134 -7.043 641 1HD2 ASN 79 2HD2 ASN 79 7.577 -13.874 -6.739 642 2HD2 ASN 79 1HD2 ASN 79 5.910 -14.105 -6.521 643 H ASN 80 H ASN 80 6.308 -15.240 -3.849 644 HA ASN 80 HA ASN 80 3.890 -13.752 -3.668 645 1HB ASN 80 2HB ASN 80 3.678 -16.120 -2.232 646 2HB ASN 80 1HB ASN 80 4.144 -14.953 -0.995 647 1HD2 ASN 80 2HD2 ASN 80 0.766 -13.970 -0.792 648 2HD2 ASN 80 1HD2 ASN 80 2.147 -14.529 0.023 649 H ASP 81 H ASP 81 6.847 -14.781 -2.027 650 HA ASP 81 HA ASP 81 7.234 -12.723 -0.180 651 1HB ASP 81 2HB ASP 81 8.742 -14.795 -1.026 652 2HB ASP 81 1HB ASP 81 9.605 -13.472 -1.811 653 H SER 82 H SER 82 7.160 -10.564 -0.457 654 HA SER 82 HA SER 82 7.449 -8.438 -1.389 655 1HB SER 82 2HB SER 82 9.504 -9.678 -3.228 656 2HB SER 82 1HB SER 82 9.444 -8.027 -2.617 657 HG SER 82 HG SER 82 10.255 -10.390 -1.371 658 H ARG 83 H ARG 83 5.264 -9.623 -2.327 659 HA ARG 83 HA ARG 83 5.129 -8.680 -5.116 660 1HB ARG 83 2HB ARG 83 5.172 -11.516 -4.385 661 2HB ARG 83 1HB ARG 83 3.708 -11.082 -5.265 662 1HG ARG 83 2HG ARG 83 5.676 -9.753 -6.689 663 2HG ARG 83 1HG ARG 83 6.483 -11.249 -6.221 664 1HD ARG 83 2HD ARG 83 5.179 -12.519 -7.584 665 2HD ARG 83 1HD ARG 83 3.716 -11.618 -7.181 666 HE ARG 83 HE ARG 83 5.696 -10.329 -8.983 667 1HH1 ARG 83 1HH2 ARG 83 2.744 -9.559 -8.382 668 2HH1 ARG 83 2HH2 ARG 83 2.002 -10.018 -9.879 669 1HH2 ARG 83 2HH1 ARG 83 4.708 -11.904 -10.946 670 2HH2 ARG 83 1HH1 ARG 83 3.114 -11.346 -11.328 671 H TRP 84 H TRP 84 3.682 -7.094 -4.360 672 HA TRP 84 HA TRP 84 1.167 -8.078 -3.091 673 1HB TRP 84 2HB TRP 84 2.313 -5.278 -3.305 674 2HB TRP 84 1HB TRP 84 0.776 -5.680 -2.539 675 HD1 TRP 84 HD1 TRP 84 4.417 -6.974 -2.287 676 HE1 TRP 84 HE1 TRP 84 4.963 -7.348 0.204 677 HE3 TRP 84 HE3 TRP 84 -0.046 -5.635 -0.193 678 HZ2 TRP 84 HZ2 TRP 84 3.676 -7.117 2.749 679 HZ3 TRP 84 HZ3 TRP 84 -0.358 -5.721 2.265 680 HH2 TRP 84 HH2 TRP 84 1.497 -6.462 3.737 681 H GLU 85 H GLU 85 -0.865 -7.035 -3.888 682 HA GLU 85 HA GLU 85 -0.791 -5.911 -6.610 683 1HB GLU 85 2HB GLU 85 -1.394 -8.723 -6.067 684 2HB GLU 85 1HB GLU 85 -2.734 -7.911 -6.877 685 1HG GLU 85 2HG GLU 85 -1.392 -7.298 -8.730 686 2HG GLU 85 1HG GLU 85 0.108 -7.620 -7.856 687 H PHE 86 H PHE 86 -2.322 -4.332 -6.652 688 HA PHE 86 HA PHE 86 -4.609 -4.562 -4.735 689 1HB PHE 86 2HB PHE 86 -3.641 -1.962 -5.932 690 2HB PHE 86 1HB PHE 86 -4.626 -2.203 -4.493 691 HD1 PHE 86 HD2 PHE 86 -3.007 -4.431 -3.188 692 HD2 PHE 86 HD1 PHE 86 -1.810 -0.746 -5.048 693 HE1 PHE 86 HE2 PHE 86 -0.950 -4.395 -1.802 694 HE2 PHE 86 HE1 PHE 86 0.243 -0.714 -3.656 695 HZ PHE 86 HZ PHE 86 0.671 -2.538 -2.035 696 H GLU 87 H GLU 87 -6.567 -4.826 -5.683 697 HA GLU 87 HA GLU 87 -6.832 -4.062 -8.564 698 1HB GLU 87 2HB GLU 87 -7.081 -6.519 -7.884 699 2HB GLU 87 1HB GLU 87 -8.575 -6.037 -7.079 700 1HG GLU 87 2HG GLU 87 -9.552 -5.296 -9.136 701 2HG GLU 87 1HG GLU 87 -8.012 -5.415 -9.987 702 H ASN 88 H ASN 88 -8.467 -2.687 -9.147 703 HA ASN 88 HA ASN 88 -10.173 -1.625 -6.940 704 1HB ASN 88 2HB ASN 88 -8.548 -0.252 -8.676 705 2HB ASN 88 1HB ASN 88 -10.099 -0.159 -9.509 706 1HD2 ASN 88 2HD2 ASN 88 -10.706 2.649 -7.416 707 2HD2 ASN 88 1HD2 ASN 88 -10.365 2.131 -8.995 708 H GLU 89 H GLU 89 -12.345 -2.009 -7.048 709 HA GLU 89 HA GLU 89 -13.456 -2.915 -9.672 710 1HB GLU 89 2HB GLU 89 -14.169 -3.976 -6.920 711 2HB GLU 89 1HB GLU 89 -14.892 -4.495 -8.444 712 1HG GLU 89 2HG GLU 89 -11.912 -4.590 -8.180 713 2HG GLU 89 1HG GLU 89 -12.865 -5.842 -7.382 714 H ARG 90 H ARG 90 -13.705 -0.315 -9.296 715 HA ARG 90 HA ARG 90 -16.294 0.204 -7.915 716 1HB ARG 90 2HB ARG 90 -14.039 1.965 -8.858 717 2HB ARG 90 1HB ARG 90 -15.636 2.647 -8.564 718 1HG ARG 90 2HG ARG 90 -15.159 1.042 -6.319 719 2HG ARG 90 1HG ARG 90 -13.603 1.806 -6.643 720 1HD ARG 90 2HD ARG 90 -16.129 3.446 -6.658 721 2HD ARG 90 1HD ARG 90 -15.328 3.062 -5.136 722 HE ARG 90 HE ARG 90 -13.817 4.400 -7.338 723 1HH1 ARG 90 1HH2 ARG 90 -12.012 4.273 -5.291 724 2HH1 ARG 90 2HH2 ARG 90 -12.376 5.565 -4.197 725 1HH2 ARG 90 2HH1 ARG 90 -15.586 6.046 -5.416 726 2HH2 ARG 90 1HH1 ARG 90 -14.401 6.567 -4.266 727 H HIS 91 H HIS 91 -18.090 0.936 -9.076 728 HA HIS 91 HA HIS 91 -17.847 1.512 -11.955 729 1HB HIS 91 2HB HIS 91 -18.018 -1.004 -11.726 730 2HB HIS 91 1HB HIS 91 -19.611 -0.762 -11.012 731 HD1 HIS 91 HD1 HIS 91 -19.418 -2.275 -13.667 732 HD2 HIS 91 HD2 HIS 91 -19.962 1.852 -13.431 733 HE1 HIS 91 HE1 HIS 91 -20.458 -1.563 -15.864 734 H ALA 92 HN ALA 92 -18.726 3.567 -11.348 735 HA ALA 92 HA ALA 92 -21.658 3.479 -10.812 736 1HB ALA 92 1HB ALA 92 -19.547 4.786 -9.179 737 2HB ALA 92 3HB ALA 92 -20.992 5.750 -9.490 738 3HB ALA 92 2HB ALA 92 -21.132 4.182 -8.697 No H/Q in entry = 738 Start of MODEL 24 Raw file had 756 H/Q atoms Start of MODEL 24 1 1H ALA 1 1H ALA 1 -11.627 16.120 -8.403 2 2H ALA 1 3H ALA 1 -11.856 15.482 -9.958 3 3H ALA 1 2H ALA 1 -13.047 16.474 -9.264 4 HA ALA 1 HA ALA 1 -13.939 14.381 -8.969 5 1HB ALA 1 3HB ALA 1 -11.561 13.417 -9.624 6 2HB ALA 1 2HB ALA 1 -11.384 13.254 -7.876 7 3HB ALA 1 1HB ALA 1 -12.701 12.429 -8.709 8 H ARG 2 H ARG 2 -14.264 13.093 -6.812 9 HA ARG 2 HA ARG 2 -14.306 15.081 -4.655 10 1HB ARG 2 2HB ARG 2 -15.227 12.203 -4.487 11 2HB ARG 2 1HB ARG 2 -15.704 13.546 -3.457 12 1HG ARG 2 2HG ARG 2 -16.670 14.660 -5.513 13 2HG ARG 2 1HG ARG 2 -16.381 13.151 -6.381 14 1HD ARG 2 2HD ARG 2 -17.873 13.088 -3.773 15 2HD ARG 2 1HD ARG 2 -18.720 13.570 -5.243 16 HE ARG 2 HE ARG 2 -17.365 10.921 -4.914 17 1HH1 ARG 2 2HH1 ARG 2 -17.977 11.611 -7.719 18 2HH1 ARG 2 1HH1 ARG 2 -19.577 10.985 -7.932 19 1HH2 ARG 2 1HH2 ARG 2 -20.211 10.706 -4.536 20 2HH2 ARG 2 2HH2 ARG 2 -20.841 10.473 -6.133 21 HA PRO 3 HA PRO 3 -11.430 12.019 -2.627 22 1HB PRO 3 2HB PRO 3 -10.253 9.995 -4.039 23 2HB PRO 3 1HB PRO 3 -11.795 9.821 -3.187 24 1HG PRO 3 2HG PRO 3 -11.285 10.036 -6.103 25 2HG PRO 3 1HG PRO 3 -12.652 9.298 -5.251 26 1HD PRO 3 2HD PRO 3 -12.627 11.843 -6.505 27 2HD PRO 3 1HD PRO 3 -13.889 11.199 -5.442 28 H ALA 4 H ALA 4 -9.995 13.797 -2.650 29 HA ALA 4 HA ALA 4 -8.291 14.519 -4.831 30 1HB ALA 4 2HB ALA 4 -8.832 15.892 -2.728 31 2HB ALA 4 1HB ALA 4 -7.608 14.919 -1.911 32 3HB ALA 4 3HB ALA 4 -7.159 15.934 -3.282 33 H PHE 5 H PHE 5 -8.056 12.040 -2.374 34 HA PHE 5 HA PHE 5 -5.227 11.541 -2.581 35 1HB PHE 5 2HB PHE 5 -6.632 10.708 -0.705 36 2HB PHE 5 1HB PHE 5 -7.475 9.640 -1.824 37 HD1 PHE 5 HD2 PHE 5 -4.131 10.410 -0.368 38 HD2 PHE 5 HD1 PHE 5 -6.547 7.549 -2.473 39 HE1 PHE 5 HE2 PHE 5 -2.356 8.702 -0.084 40 HE2 PHE 5 HE1 PHE 5 -4.771 5.842 -2.192 41 HZ PHE 5 HZ PHE 5 -2.675 6.417 -0.997 42 H VAL 6 H VAL 6 -8.066 10.378 -4.359 43 HA VAL 6 HA VAL 6 -6.634 8.369 -5.872 44 HB VAL 6 HB VAL 6 -9.218 9.823 -6.541 45 1HG1 VAL 6 3HG1 VAL 6 -8.006 7.240 -7.579 46 2HG1 VAL 6 2HG1 VAL 6 -9.649 7.781 -7.922 47 3HG1 VAL 6 1HG1 VAL 6 -8.274 8.718 -8.504 48 1HG2 VAL 6 2HG2 VAL 6 -8.864 8.362 -4.335 49 2HG2 VAL 6 1HG2 VAL 6 -10.354 8.256 -5.274 50 3HG2 VAL 6 3HG2 VAL 6 -9.098 7.033 -5.471 51 H ASN 7 H ASN 7 -7.350 11.802 -6.319 52 HA ASN 7 HA ASN 7 -6.513 12.040 -9.043 53 1HB ASN 7 2HB ASN 7 -6.430 14.030 -6.757 54 2HB ASN 7 1HB ASN 7 -6.093 14.451 -8.436 55 1HD2 ASN 7 2HD2 ASN 7 -9.497 14.485 -9.382 56 2HD2 ASN 7 1HD2 ASN 7 -7.884 14.676 -9.874 57 H LYS 8 H LYS 8 -4.685 12.504 -6.009 58 HA LYS 8 HA LYS 8 -2.156 12.932 -7.361 59 1HB LYS 8 2HB LYS 8 -1.203 12.650 -5.065 60 2HB LYS 8 1HB LYS 8 -2.515 13.827 -5.123 61 1HG LYS 8 2HG LYS 8 -4.051 12.348 -4.117 62 2HG LYS 8 1HG LYS 8 -3.060 10.934 -4.477 63 1HD LYS 8 2HD LYS 8 -2.849 11.443 -2.109 64 2HD LYS 8 1HD LYS 8 -1.320 11.822 -2.906 65 1HE LYS 8 2HE LYS 8 -1.705 13.727 -1.582 66 2HE LYS 8 1HE LYS 8 -2.312 14.216 -3.164 67 1HZ LYS 8 3HZ LYS 8 -4.131 12.916 -1.256 68 2HZ LYS 8 2HZ LYS 8 -3.758 14.562 -1.058 69 3HZ LYS 8 1HZ LYS 8 -4.482 14.018 -2.497 70 H LEU 9 H LEU 9 -3.957 10.116 -6.421 71 HA LEU 9 HA LEU 9 -1.763 8.265 -6.194 72 1HB LEU 9 2HB LEU 9 -4.077 7.834 -5.345 73 2HB LEU 9 1HB LEU 9 -4.634 7.724 -7.014 74 HG LEU 9 HG LEU 9 -2.948 5.884 -7.375 75 1HD1 LEU 9 3HD1 LEU 9 -2.686 6.199 -4.372 76 2HD1 LEU 9 2HD1 LEU 9 -2.131 4.779 -5.258 77 3HD1 LEU 9 1HD1 LEU 9 -1.404 6.355 -5.573 78 1HD2 LEU 9 1HD2 LEU 9 -5.033 5.476 -5.206 79 2HD2 LEU 9 3HD2 LEU 9 -5.313 5.375 -6.944 80 3HD2 LEU 9 2HD2 LEU 9 -4.287 4.182 -6.145 81 H TRP 10 H TRP 10 -3.842 9.305 -8.861 82 HA TRP 10 HA TRP 10 -2.772 7.472 -10.816 83 1HB TRP 10 2HB TRP 10 -4.488 9.912 -10.837 84 2HB TRP 10 1HB TRP 10 -3.725 9.446 -12.352 85 HD1 TRP 10 HD1 TRP 10 -6.238 8.948 -13.210 86 HE1 TRP 10 HE1 TRP 10 -7.682 6.828 -13.001 87 HE3 TRP 10 HE3 TRP 10 -3.789 6.553 -9.399 88 HZ2 TRP 10 HZ2 TRP 10 -7.791 4.442 -11.442 89 HZ3 TRP 10 HZ3 TRP 10 -4.593 4.366 -8.580 90 HH2 TRP 10 HH2 TRP 10 -6.589 3.305 -9.595 91 H SER 11 H SER 11 -1.356 10.213 -9.339 92 HA SER 11 HA SER 11 0.204 10.965 -11.728 93 1HB SER 11 2HB SER 11 -0.428 12.189 -9.139 94 2HB SER 11 1HB SER 11 1.256 12.398 -9.611 95 HG SER 11 HG SER 11 -1.076 13.068 -11.084 96 H MET 12 H MET 12 0.673 9.224 -8.670 97 HA MET 12 HA MET 12 3.580 9.032 -9.211 98 1HB MET 12 2HB MET 12 3.760 7.902 -7.099 99 2HB MET 12 1HB MET 12 2.797 9.356 -6.870 100 1HG MET 12 2HG MET 12 0.796 7.630 -7.346 101 2HG MET 12 1HG MET 12 1.981 6.480 -6.726 102 1HE MET 12 3HE MET 12 1.999 5.754 -4.870 103 2HE MET 12 2HE MET 12 2.792 6.748 -3.656 104 3HE MET 12 1HE MET 12 1.114 6.278 -3.432 105 H VAL 13 H VAL 13 0.702 6.971 -9.251 106 HA VAL 13 HA VAL 13 2.190 4.538 -9.740 107 HB VAL 13 HB VAL 13 -0.707 5.055 -10.450 108 1HG1 VAL 13 3HG1 VAL 13 1.061 2.789 -10.658 109 2HG1 VAL 13 2HG1 VAL 13 -0.178 2.431 -9.455 110 3HG1 VAL 13 1HG1 VAL 13 -0.644 2.893 -11.090 111 1HG2 VAL 13 1HG2 VAL 13 -0.007 5.627 -8.027 112 2HG2 VAL 13 3HG2 VAL 13 -1.313 4.460 -8.222 113 3HG2 VAL 13 2HG2 VAL 13 0.317 3.905 -7.843 114 H ASN 14 H ASN 14 1.600 7.229 -11.739 115 HA ASN 14 HA ASN 14 1.121 6.017 -14.268 116 1HB ASN 14 2HB ASN 14 2.260 8.052 -15.211 117 2HB ASN 14 1HB ASN 14 0.992 8.427 -14.047 118 1HD2 ASN 14 2HD2 ASN 14 3.769 10.543 -12.954 119 2HD2 ASN 14 1HD2 ASN 14 2.588 10.503 -14.172 120 H ASP 15 H ASP 15 3.941 5.995 -12.247 121 HA ASP 15 HA ASP 15 5.958 4.844 -12.472 122 1HB ASP 15 2HB ASP 15 5.020 3.845 -15.166 123 2HB ASP 15 1HB ASP 15 6.163 3.090 -14.058 124 H LYS 16 H LYS 16 5.737 7.558 -13.324 125 HA LYS 16 HA LYS 16 7.369 7.673 -15.795 126 1HB LYS 16 2HB LYS 16 5.815 9.668 -14.181 127 2HB LYS 16 1HB LYS 16 7.158 10.250 -15.167 128 1HG LYS 16 2HG LYS 16 6.189 9.208 -17.159 129 2HG LYS 16 1HG LYS 16 4.876 8.535 -16.193 130 1HD LYS 16 2HD LYS 16 4.680 11.164 -15.515 131 2HD LYS 16 1HD LYS 16 5.277 11.308 -17.169 132 1HE LYS 16 2HE LYS 16 3.451 9.717 -17.879 133 2HE LYS 16 1HE LYS 16 2.802 9.824 -16.243 134 1HZ LYS 16 3HZ LYS 16 2.748 12.284 -16.578 135 2HZ LYS 16 2HZ LYS 16 3.105 12.014 -18.218 136 3HZ LYS 16 1HZ LYS 16 1.665 11.410 -17.547 137 H SER 17 H SER 17 7.599 9.365 -12.637 138 HA SER 17 HA SER 17 10.539 9.375 -12.891 139 1HB SER 17 2HB SER 17 8.604 11.041 -11.645 140 2HB SER 17 1HB SER 17 9.631 10.407 -10.363 141 HG SER 17 HG SER 17 10.258 12.019 -12.561 142 H ASN 18 H ASN 18 8.494 7.028 -11.925 143 HA ASN 18 HA ASN 18 10.441 5.976 -9.923 144 1HB ASN 18 2HB ASN 18 7.446 5.652 -9.610 145 2HB ASN 18 1HB ASN 18 8.705 5.279 -8.434 146 1HD2 ASN 18 2HD2 ASN 18 7.093 8.952 -8.445 147 2HD2 ASN 18 1HD2 ASN 18 6.440 7.646 -9.308 148 H GLU 19 H GLU 19 9.957 5.497 -12.795 149 HA GLU 19 HA GLU 19 8.474 3.076 -13.198 150 1HB GLU 19 2HB GLU 19 9.598 3.049 -15.397 151 2HB GLU 19 1HB GLU 19 9.017 4.653 -15.006 152 1HG GLU 19 2HG GLU 19 11.462 4.888 -13.959 153 2HG GLU 19 1HG GLU 19 11.816 3.668 -15.181 154 H LYS 20 H LYS 20 9.225 1.672 -11.499 155 HA LYS 20 HA LYS 20 11.048 -0.321 -12.194 156 1HB LYS 20 2HB LYS 20 12.841 1.423 -11.986 157 2HB LYS 20 1HB LYS 20 12.358 1.685 -10.313 158 1HG LYS 20 2HG LYS 20 12.807 -0.768 -9.901 159 2HG LYS 20 1HG LYS 20 13.493 -0.850 -11.523 160 1HD LYS 20 2HD LYS 20 15.194 0.773 -10.957 161 2HD LYS 20 1HD LYS 20 14.442 1.082 -9.391 162 1HE LYS 20 2HE LYS 20 15.052 -1.038 -8.547 163 2HE LYS 20 1HE LYS 20 15.358 -1.688 -10.158 164 1HZ LYS 20 3HZ LYS 20 17.221 -0.116 -10.352 165 2HZ LYS 20 2HZ LYS 20 16.955 0.382 -8.750 166 3HZ LYS 20 1HZ LYS 20 17.431 -1.216 -9.078 167 H PHE 21 H PHE 21 9.641 1.611 -9.592 168 HA PHE 21 HA PHE 21 9.701 -0.746 -7.782 169 1HB PHE 21 2HB PHE 21 8.706 2.049 -7.178 170 2HB PHE 21 1HB PHE 21 9.108 0.785 -6.016 171 HD1 PHE 21 HD1 PHE 21 11.604 -0.300 -6.694 172 HD2 PHE 21 HD2 PHE 21 10.288 3.753 -7.230 173 HE1 PHE 21 HE1 PHE 21 13.962 0.468 -6.687 174 HE2 PHE 21 HE2 PHE 21 12.647 4.520 -7.221 175 HZ PHE 21 HZ PHE 21 14.485 2.877 -6.949 176 H ILE 22 H ILE 22 7.461 1.077 -9.748 177 HA ILE 22 HA ILE 22 5.329 -0.832 -8.961 178 HB ILE 22 HB ILE 22 4.982 1.131 -7.523 179 1HG1 ILE 22 2HG1 ILE 22 2.919 1.341 -9.714 180 2HG1 ILE 22 1HG1 ILE 22 3.050 -0.123 -8.741 181 1HG2 ILE 22 1HG2 ILE 22 5.505 2.542 -10.068 182 2HG2 ILE 22 3HG2 ILE 22 4.191 3.212 -9.103 183 3HG2 ILE 22 2HG2 ILE 22 5.805 3.056 -8.410 184 1HD1 ILE 22 3HD1 ILE 22 3.094 2.268 -7.072 185 2HD1 ILE 22 2HD1 ILE 22 1.638 2.197 -8.064 186 3HD1 ILE 22 1HD1 ILE 22 2.034 0.861 -6.983 187 H HIS 23 H HIS 23 3.631 -0.998 -10.590 188 HA HIS 23 HA HIS 23 3.795 0.525 -13.048 189 1HB HIS 23 2HB HIS 23 4.392 -1.444 -14.495 190 2HB HIS 23 1HB HIS 23 5.719 -0.862 -13.491 191 HD1 HIS 23 HD1 HIS 23 3.397 -3.759 -13.942 192 HD2 HIS 23 HD2 HIS 23 6.429 -2.601 -11.325 193 HE1 HIS 23 HE1 HIS 23 3.994 -5.812 -12.585 194 H TRP 24 H TRP 24 2.070 0.085 -14.468 195 HA TRP 24 HA TRP 24 -0.311 -0.981 -13.229 196 1HB TRP 24 2HB TRP 24 0.363 -0.051 -16.026 197 2HB TRP 24 1HB TRP 24 -1.222 -0.701 -15.623 198 HD1 TRP 24 HD1 TRP 24 0.839 1.567 -13.288 199 HE1 TRP 24 HE1 TRP 24 -0.492 3.738 -12.896 200 HE3 TRP 24 HE3 TRP 24 -3.037 0.826 -16.529 201 HZ2 TRP 24 HZ2 TRP 24 -2.881 4.996 -13.831 202 HZ3 TRP 24 HZ3 TRP 24 -4.824 2.527 -16.760 203 HH2 TRP 24 HH2 TRP 24 -4.751 4.610 -15.417 204 H SER 25 H SER 25 -1.360 -2.946 -13.637 205 HA SER 25 HA SER 25 0.306 -5.079 -14.830 206 1HB SER 25 2HB SER 25 -1.232 -6.611 -13.806 207 2HB SER 25 1HB SER 25 -0.971 -5.329 -12.627 208 HG SER 25 HG SER 25 -2.901 -4.340 -13.575 209 H THR 26 H THR 26 -1.967 -6.698 -15.733 210 HA THR 26 HA THR 26 -2.215 -5.748 -18.419 211 HB THR 26 HB THR 26 -4.051 -7.683 -16.972 212 HG1 THR 26 HG1 THR 26 -2.476 -9.052 -17.091 213 1HG2 THR 26 3HG2 THR 26 -3.726 -6.788 -19.771 214 2HG2 THR 26 2HG2 THR 26 -3.814 -8.536 -19.554 215 3HG2 THR 26 1HG2 THR 26 -5.124 -7.508 -18.974 216 H SER 27 H SER 27 -3.746 -4.431 -19.374 217 HA SER 27 HA SER 27 -5.532 -2.916 -19.543 218 1HB SER 27 2HB SER 27 -6.752 -5.059 -18.615 219 2HB SER 27 1HB SER 27 -6.815 -4.141 -17.112 220 HG SER 27 HG SER 27 -8.383 -3.922 -19.224 221 H GLY 28 H GLY 28 -6.873 -1.355 -17.899 222 1HA GLY 28 2HA GLY 28 -4.809 -0.281 -16.019 223 2HA GLY 28 1HA GLY 28 -5.980 0.724 -16.872 224 H GLU 29 H GLU 29 -5.618 -1.672 -14.299 225 HA GLU 29 HA GLU 29 -7.559 -0.421 -12.613 226 1HB GLU 29 2HB GLU 29 -9.299 -2.220 -12.671 227 2HB GLU 29 1HB GLU 29 -9.215 -1.297 -14.171 228 1HG GLU 29 2HG GLU 29 -7.523 -3.166 -14.909 229 2HG GLU 29 1HG GLU 29 -8.285 -4.103 -13.624 230 H SER 30 H SER 30 -4.910 -1.508 -12.439 231 HA SER 30 HA SER 30 -5.143 -2.999 -9.986 232 1HB SER 30 2HB SER 30 -3.683 -4.931 -11.313 233 2HB SER 30 1HB SER 30 -5.384 -5.069 -10.881 234 HG SER 30 HG SER 30 -5.283 -5.425 -13.046 235 H ILE 31 H ILE 31 -3.277 -2.683 -8.839 236 HA ILE 31 HA ILE 31 -0.922 -1.622 -10.350 237 HB ILE 31 HB ILE 31 -1.654 -1.170 -7.436 238 1HG1 ILE 31 2HG1 ILE 31 -1.818 0.807 -9.726 239 2HG1 ILE 31 1HG1 ILE 31 -3.205 -0.145 -9.196 240 1HG2 ILE 31 2HG2 ILE 31 0.423 0.110 -9.244 241 2HG2 ILE 31 1HG2 ILE 31 0.089 0.581 -7.578 242 3HG2 ILE 31 3HG2 ILE 31 0.761 -1.012 -7.926 243 1HD1 ILE 31 3HD1 ILE 31 -2.845 0.759 -6.873 244 2HD1 ILE 31 2HD1 ILE 31 -1.612 1.829 -7.540 245 3HD1 ILE 31 1HD1 ILE 31 -3.290 1.988 -8.057 246 H VAL 32 H VAL 32 1.038 -2.651 -10.081 247 HA VAL 32 HA VAL 32 1.073 -4.979 -8.198 248 HB VAL 32 HB VAL 32 2.620 -4.670 -10.790 249 1HG1 VAL 32 3HG1 VAL 32 3.291 -6.222 -8.698 250 2HG1 VAL 32 2HG1 VAL 32 2.112 -7.289 -9.462 251 3HG1 VAL 32 1HG1 VAL 32 3.523 -6.743 -10.366 252 1HG2 VAL 32 2HG2 VAL 32 0.081 -4.872 -10.989 253 2HG2 VAL 32 1HG2 VAL 32 1.011 -6.134 -11.797 254 3HG2 VAL 32 3HG2 VAL 32 0.242 -6.462 -10.246 255 H VAL 33 H VAL 33 2.566 -4.859 -6.609 256 HA VAL 33 HA VAL 33 4.810 -2.905 -6.927 257 HB VAL 33 HB VAL 33 3.467 -3.906 -4.392 258 1HG1 VAL 33 1HG1 VAL 33 5.638 -1.828 -4.823 259 2HG1 VAL 33 3HG1 VAL 33 4.838 -2.153 -3.286 260 3HG1 VAL 33 2HG1 VAL 33 5.843 -3.394 -4.036 261 1HG2 VAL 33 3HG2 VAL 33 2.082 -2.353 -5.749 262 2HG2 VAL 33 2HG2 VAL 33 2.590 -1.619 -4.228 263 3HG2 VAL 33 1HG2 VAL 33 3.402 -1.185 -5.733 264 HA PRO 34 HA PRO 34 6.718 -7.047 -6.764 265 1HB PRO 34 2HB PRO 34 8.970 -6.383 -8.188 266 2HB PRO 34 1HB PRO 34 7.467 -6.946 -8.940 267 1HG PRO 34 2HG PRO 34 8.599 -4.195 -8.838 268 2HG PRO 34 1HG PRO 34 7.523 -4.925 -10.042 269 1HD PRO 34 2HD PRO 34 6.736 -3.156 -7.993 270 2HD PRO 34 1HD PRO 34 5.654 -4.167 -8.969 271 H ASN 35 H ASN 35 8.217 -3.850 -6.364 272 HA ASN 35 HA ASN 35 9.813 -4.973 -4.093 273 1HB ASN 35 2HB ASN 35 10.528 -3.082 -6.283 274 2HB ASN 35 1HB ASN 35 11.174 -2.723 -4.681 275 1HD2 ASN 35 2HD2 ASN 35 12.972 -5.923 -4.558 276 2HD2 ASN 35 1HD2 ASN 35 11.953 -5.003 -3.562 277 H ARG 36 H ARG 36 7.908 -4.482 -2.753 278 HA ARG 36 HA ARG 36 6.999 -1.725 -2.487 279 1HB ARG 36 2HB ARG 36 5.557 -3.716 -2.013 280 2HB ARG 36 1HB ARG 36 6.572 -4.073 -0.617 281 1HG ARG 36 2HG ARG 36 5.626 -2.439 0.639 282 2HG ARG 36 1HG ARG 36 5.639 -1.283 -0.694 283 1HD ARG 36 2HD ARG 36 3.491 -1.742 -1.252 284 2HD ARG 36 1HD ARG 36 3.731 -3.482 -1.096 285 HE ARG 36 HE ARG 36 3.017 -3.339 1.173 286 1HH1 ARG 36 2HH1 ARG 36 4.641 -0.799 1.743 287 2HH1 ARG 36 1HH1 ARG 36 3.372 0.318 2.122 288 1HH2 ARG 36 1HH2 ARG 36 0.861 -1.664 0.788 289 2HH2 ARG 36 2HH2 ARG 36 1.237 -0.171 1.582 290 H GLU 37 H GLU 37 9.354 -3.793 -0.911 291 HA GLU 37 HA GLU 37 9.770 -2.137 1.411 292 1HB GLU 37 2HB GLU 37 11.855 -3.450 1.685 293 2HB GLU 37 1HB GLU 37 10.471 -4.493 1.360 294 1HG GLU 37 2HG GLU 37 11.111 -4.695 -0.982 295 2HG GLU 37 1HG GLU 37 12.419 -3.533 -0.758 296 H ARG 38 H ARG 38 11.102 -2.129 -1.853 297 HA ARG 38 HA ARG 38 13.179 -0.164 -1.177 298 1HB ARG 38 2HB ARG 38 13.309 -1.970 -3.020 299 2HB ARG 38 1HB ARG 38 12.277 -0.896 -3.963 300 1HG ARG 38 2HG ARG 38 14.491 -0.297 -4.577 301 2HG ARG 38 1HG ARG 38 13.987 0.946 -3.430 302 1HD ARG 38 2HD ARG 38 15.979 0.425 -2.433 303 2HD ARG 38 1HD ARG 38 15.024 -0.868 -1.709 304 HE ARG 38 HE ARG 38 16.452 -1.388 -4.270 305 1HH1 ARG 38 2HH1 ARG 38 14.955 -3.234 -2.168 306 2HH1 ARG 38 1HH1 ARG 38 16.321 -4.103 -1.554 307 1HH2 ARG 38 1HH2 ARG 38 18.653 -1.944 -2.936 308 2HH2 ARG 38 2HH2 ARG 38 18.412 -3.374 -1.989 309 H PHE 39 H PHE 39 10.031 -0.200 -2.798 310 HA PHE 39 HA PHE 39 9.930 2.395 -3.860 311 1HB PHE 39 2HB PHE 39 8.136 0.785 -4.224 312 2HB PHE 39 1HB PHE 39 7.743 0.780 -2.508 313 HD1 PHE 39 HD1 PHE 39 7.605 2.758 -5.633 314 HD2 PHE 39 HD2 PHE 39 6.511 2.592 -1.485 315 HE1 PHE 39 HE1 PHE 39 6.040 4.648 -5.971 316 HE2 PHE 39 HE2 PHE 39 4.947 4.488 -1.821 317 HZ PHE 39 HZ PHE 39 4.710 5.516 -4.065 318 H VAL 40 H VAL 40 8.466 1.537 -0.715 319 HA VAL 40 HA VAL 40 8.053 4.102 0.284 320 HB VAL 40 HB VAL 40 8.968 1.719 1.916 321 1HG1 VAL 40 1HG1 VAL 40 8.399 4.343 2.700 322 2HG1 VAL 40 3HG1 VAL 40 6.910 3.463 3.041 323 3HG1 VAL 40 2HG1 VAL 40 8.434 2.927 3.748 324 1HG2 VAL 40 3HG2 VAL 40 6.413 2.379 0.515 325 2HG2 VAL 40 2HG2 VAL 40 7.153 0.807 0.815 326 3HG2 VAL 40 1HG2 VAL 40 6.297 1.641 2.113 327 H GLN 41 H GLN 41 10.943 2.107 0.847 328 HA GLN 41 HA GLN 41 12.514 3.698 2.432 329 1HB GLN 41 2HB GLN 41 13.007 1.456 1.110 330 2HB GLN 41 1HB GLN 41 13.839 2.557 0.011 331 1HG GLN 41 2HG GLN 41 15.339 3.285 1.684 332 2HG GLN 41 1HG GLN 41 14.320 2.671 2.987 333 1HE2 GLN 41 2HE2 GLN 41 16.417 -0.121 0.797 334 2HE2 GLN 41 1HE2 GLN 41 15.826 1.263 0.011 335 H GLU 42 H GLU 42 12.256 4.145 -1.136 336 HA GLU 42 HA GLU 42 13.362 6.886 -0.675 337 1HB GLU 42 2HB GLU 42 14.113 4.932 -2.859 338 2HB GLU 42 1HB GLU 42 14.544 6.643 -2.886 339 1HG GLU 42 2HG GLU 42 15.176 5.039 -0.436 340 2HG GLU 42 1HG GLU 42 16.209 4.866 -1.855 341 H VAL 43 H VAL 43 10.527 6.122 -1.029 342 HA VAL 43 HA VAL 43 9.989 7.964 -3.259 343 HB VAL 43 HB VAL 43 8.832 5.155 -3.316 344 1HG1 VAL 43 3HG1 VAL 43 8.496 7.536 -5.160 345 2HG1 VAL 43 2HG1 VAL 43 7.878 5.915 -5.476 346 3HG1 VAL 43 1HG1 VAL 43 7.257 6.844 -4.112 347 1HG2 VAL 43 2HG2 VAL 43 10.899 6.565 -5.033 348 2HG2 VAL 43 1HG2 VAL 43 11.131 5.100 -4.080 349 3HG2 VAL 43 3HG2 VAL 43 10.097 5.069 -5.508 350 H LEU 44 H LEU 44 8.600 5.936 -0.640 351 HA LEU 44 HA LEU 44 5.996 7.159 -0.703 352 1HB LEU 44 2HB LEU 44 6.418 5.088 0.537 353 2HB LEU 44 1HB LEU 44 7.496 5.933 1.647 354 HG LEU 44 HG LEU 44 5.590 7.385 2.335 355 1HD1 LEU 44 3HD1 LEU 44 4.276 5.824 0.171 356 2HD1 LEU 44 2HD1 LEU 44 3.305 6.144 1.607 357 3HD1 LEU 44 1HD1 LEU 44 3.993 7.485 0.691 358 1HD2 LEU 44 3HD2 LEU 44 5.169 4.389 2.551 359 2HD2 LEU 44 2HD2 LEU 44 6.067 5.412 3.672 360 3HD2 LEU 44 1HD2 LEU 44 4.318 5.583 3.531 361 HA PRO 45 HA PRO 45 7.620 10.191 2.592 362 1HB PRO 45 2HB PRO 45 10.315 10.688 2.740 363 2HB PRO 45 1HB PRO 45 9.467 9.529 3.779 364 1HG PRO 45 2HG PRO 45 11.255 9.013 1.456 365 2HG PRO 45 1HG PRO 45 10.918 7.993 2.866 366 1HD PRO 45 2HD PRO 45 9.828 7.649 0.299 367 2HD PRO 45 1HD PRO 45 9.230 6.897 1.788 368 H LYS 46 H LYS 46 9.210 9.890 -0.524 369 HA LYS 46 HA LYS 46 9.671 12.750 -0.858 370 1HB LYS 46 2HB LYS 46 10.264 10.336 -2.302 371 2HB LYS 46 1HB LYS 46 9.430 11.438 -3.394 372 1HG LYS 46 2HG LYS 46 11.126 12.980 -3.355 373 2HG LYS 46 1HG LYS 46 11.536 12.639 -1.674 374 1HD LYS 46 2HD LYS 46 12.220 10.272 -2.817 375 2HD LYS 46 1HD LYS 46 12.543 11.369 -4.160 376 1HE LYS 46 2HE LYS 46 13.995 12.731 -2.759 377 2HE LYS 46 1HE LYS 46 13.593 11.759 -1.344 378 1HZ LYS 46 3HZ LYS 46 14.459 9.817 -2.728 379 2HZ LYS 46 2HZ LYS 46 15.178 10.998 -3.715 380 3HZ LYS 46 1HZ LYS 46 15.599 10.887 -2.072 381 H TYR 47 H TYR 47 6.918 10.763 -0.897 382 HA TYR 47 HA TYR 47 5.405 12.407 -2.815 383 1HB TYR 47 2HB TYR 47 4.777 9.954 -1.163 384 2HB TYR 47 1HB TYR 47 3.566 10.783 -2.128 385 HD1 TYR 47 HD2 TYR 47 6.992 10.731 -3.542 386 HD2 TYR 47 HD1 TYR 47 3.253 8.623 -3.268 387 HE1 TYR 47 HE2 TYR 47 7.593 9.384 -5.536 388 HE2 TYR 47 HE1 TYR 47 3.894 7.275 -5.235 389 HH TYR 47 HH TYR 47 5.882 6.573 -6.400 390 H PHE 48 H PHE 48 4.738 11.187 0.478 391 HA PHE 48 HA PHE 48 3.234 13.700 1.030 392 1HB PHE 48 2HB PHE 48 3.309 11.095 2.586 393 2HB PHE 48 1HB PHE 48 2.232 12.455 2.892 394 HD1 PHE 48 HD2 PHE 48 3.155 9.891 0.345 395 HD2 PHE 48 HD1 PHE 48 0.225 12.742 1.666 396 HE1 PHE 48 HE2 PHE 48 1.545 9.010 -1.325 397 HE2 PHE 48 HE1 PHE 48 -1.383 11.863 -0.004 398 HZ PHE 48 HZ PHE 48 -0.724 9.997 -1.499 399 H LYS 49 H LYS 49 3.374 13.809 3.772 400 HA LYS 49 HA LYS 49 6.294 14.206 4.296 401 1HB LYS 49 2HB LYS 49 3.914 15.868 5.176 402 2HB LYS 49 1HB LYS 49 5.545 16.082 5.812 403 1HG LYS 49 2HG LYS 49 6.236 16.261 3.298 404 2HG LYS 49 1HG LYS 49 4.526 16.597 3.028 405 1HD LYS 49 2HD LYS 49 4.867 18.294 5.029 406 2HD LYS 49 1HD LYS 49 6.556 18.209 4.533 407 1HE LYS 49 2HE LYS 49 6.126 19.630 2.843 408 2HE LYS 49 1HE LYS 49 4.970 18.483 2.167 409 1HZ LYS 49 3HZ LYS 49 4.195 20.177 4.444 410 2HZ LYS 49 2HZ LYS 49 4.181 20.823 2.871 411 3HZ LYS 49 1HZ LYS 49 3.218 19.475 3.247 412 H HIS 50 H HIS 50 7.005 12.891 5.905 413 HA HIS 50 HA HIS 50 7.011 11.525 7.810 414 1HB HIS 50 2HB HIS 50 4.767 13.406 8.603 415 2HB HIS 50 1HB HIS 50 5.587 12.292 9.697 416 HD1 HIS 50 HD1 HIS 50 8.046 12.834 10.345 417 HD2 HIS 50 HD2 HIS 50 6.303 15.680 7.846 418 HE1 HIS 50 HE1 HIS 50 9.593 14.840 10.355 419 H SER 51 H SER 51 5.508 10.585 5.568 420 HA SER 51 HA SER 51 3.091 9.345 6.784 421 1HB SER 51 2HB SER 51 3.060 10.452 4.469 422 2HB SER 51 1HB SER 51 4.022 9.084 3.917 423 HG SER 51 HG SER 51 1.450 9.029 5.123 424 H ASN 52 H ASN 52 2.789 6.968 6.349 425 HA ASN 52 HA ASN 52 5.365 5.483 6.112 426 1HB ASN 52 2HB ASN 52 3.294 5.162 8.302 427 2HB ASN 52 1HB ASN 52 4.584 3.999 7.992 428 1HD2 ASN 52 2HD2 ASN 52 7.159 6.452 8.941 429 2HD2 ASN 52 1HD2 ASN 52 6.853 5.382 7.659 430 H PHE 53 H PHE 53 4.969 3.128 5.706 431 HA PHE 53 HA PHE 53 3.206 2.683 3.538 432 1HB PHE 53 2HB PHE 53 3.553 0.204 4.115 433 2HB PHE 53 1HB PHE 53 5.002 1.149 3.777 434 HD1 PHE 53 HD1 PHE 53 2.861 -0.133 6.564 435 HD2 PHE 53 HD2 PHE 53 6.713 1.368 5.395 436 HE1 PHE 53 HE1 PHE 53 3.765 -0.704 8.803 437 HE2 PHE 53 HE2 PHE 53 7.615 0.796 7.632 438 HZ PHE 53 HZ PHE 53 6.142 -0.239 9.336 439 H ALA 54 H ALA 54 2.650 2.423 6.982 440 HA ALA 54 HA ALA 54 0.251 0.846 6.877 441 1HB ALA 54 3HB ALA 54 1.627 1.338 8.944 442 2HB ALA 54 2HB ALA 54 0.940 2.962 8.934 443 3HB ALA 54 1HB ALA 54 -0.110 1.561 9.152 444 H SER 55 H SER 55 0.827 4.361 6.815 445 HA SER 55 HA SER 55 -1.963 5.086 6.785 446 1HB SER 55 2HB SER 55 0.284 6.506 7.167 447 2HB SER 55 1HB SER 55 0.043 6.849 5.456 448 HG SER 55 HG SER 55 -1.217 8.331 6.352 449 H PHE 56 H PHE 56 0.391 4.314 4.276 450 HA PHE 56 HA PHE 56 -1.143 5.223 2.033 451 1HB PHE 56 2HB PHE 56 1.282 4.637 1.942 452 2HB PHE 56 1HB PHE 56 0.854 2.940 2.147 453 HD1 PHE 56 HD2 PHE 56 -0.729 5.661 0.113 454 HD2 PHE 56 HD1 PHE 56 1.248 1.851 0.109 455 HE1 PHE 56 HE2 PHE 56 -1.114 5.466 -2.331 456 HE2 PHE 56 HE1 PHE 56 0.861 1.653 -2.334 457 HZ PHE 56 HZ PHE 56 -0.319 3.461 -3.554 458 H VAL 57 H VAL 57 -0.989 2.107 3.714 459 HA VAL 57 HA VAL 57 -2.801 0.744 1.926 460 HB VAL 57 HB VAL 57 -2.158 0.099 4.819 461 1HG1 VAL 57 1HG1 VAL 57 -3.225 -1.554 2.512 462 2HG1 VAL 57 3HG1 VAL 57 -2.691 -2.231 4.050 463 3HG1 VAL 57 2HG1 VAL 57 -4.079 -1.143 3.998 464 1HG2 VAL 57 1HG2 VAL 57 -0.334 0.301 2.766 465 2HG2 VAL 57 3HG2 VAL 57 -0.154 -0.763 4.160 466 3HG2 VAL 57 2HG2 VAL 57 -0.814 -1.391 2.650 467 H ARG 58 H ARG 58 -3.225 2.755 4.780 468 HA ARG 58 HA ARG 58 -5.940 1.994 5.353 469 1HB ARG 58 2HB ARG 58 -4.241 4.391 6.016 470 2HB ARG 58 1HB ARG 58 -5.959 4.372 6.425 471 1HG ARG 58 2HG ARG 58 -5.707 2.430 7.801 472 2HG ARG 58 1HG ARG 58 -4.077 2.131 7.195 473 1HD ARG 58 2HD ARG 58 -3.600 3.164 9.222 474 2HD ARG 58 1HD ARG 58 -3.617 4.556 8.138 475 HE ARG 58 HE ARG 58 -5.552 5.317 9.246 476 1HH1 ARG 58 1HH2 ARG 58 -7.690 3.688 9.137 477 2HH1 ARG 58 2HH2 ARG 58 -7.765 2.790 10.615 478 1HH2 ARG 58 2HH1 ARG 58 -4.470 3.423 11.476 479 2HH2 ARG 58 1HH1 ARG 58 -5.943 2.640 11.939 480 H GLN 59 H GLN 59 -4.594 4.753 3.512 481 HA GLN 59 HA GLN 59 -7.103 5.854 2.720 482 1HB GLN 59 2HB GLN 59 -4.314 5.994 1.595 483 2HB GLN 59 1HB GLN 59 -5.661 6.737 0.732 484 1HG GLN 59 2HG GLN 59 -4.796 8.460 2.126 485 2HG GLN 59 1HG GLN 59 -6.246 7.885 2.951 486 1HE2 GLN 59 2HE2 GLN 59 -2.637 7.499 4.743 487 2HE2 GLN 59 1HE2 GLN 59 -2.808 8.266 3.239 488 H LEU 60 H LEU 60 -4.999 3.466 1.113 489 HA LEU 60 HA LEU 60 -6.495 3.171 -1.279 490 1HB LEU 60 2HB LEU 60 -4.831 1.165 0.267 491 2HB LEU 60 1HB LEU 60 -5.470 0.866 -1.349 492 HG LEU 60 HG LEU 60 -3.751 3.265 -0.673 493 1HD1 LEU 60 3HD1 LEU 60 -3.027 0.476 -1.540 494 2HD1 LEU 60 2HD1 LEU 60 -2.039 1.843 -2.054 495 3HD1 LEU 60 1HD1 LEU 60 -2.243 1.499 -0.337 496 1HD2 LEU 60 2HD2 LEU 60 -4.775 1.983 -3.213 497 2HD2 LEU 60 1HD2 LEU 60 -5.002 3.643 -2.664 498 3HD2 LEU 60 3HD2 LEU 60 -3.416 3.107 -3.217 499 H ASN 61 H ASN 61 -6.884 1.573 1.874 500 HA ASN 61 HA ASN 61 -9.048 -0.141 0.964 501 1HB ASN 61 2HB ASN 61 -7.426 -0.390 3.024 502 2HB ASN 61 1HB ASN 61 -8.648 0.582 3.849 503 1HD2 ASN 61 2HD2 ASN 61 -9.380 -3.317 3.126 504 2HD2 ASN 61 1HD2 ASN 61 -7.874 -2.606 2.801 505 H MET 62 H MET 62 -8.843 3.136 2.124 506 HA MET 62 HA MET 62 -11.594 3.335 3.023 507 1HB MET 62 2HB MET 62 -9.358 5.255 2.497 508 2HB MET 62 1HB MET 62 -10.999 5.888 2.621 509 1HG MET 62 2HG MET 62 -11.236 5.202 4.845 510 2HG MET 62 1HG MET 62 -9.968 3.985 4.709 511 1HE MET 62 1HE MET 62 -10.290 5.461 6.959 512 2HE MET 62 3HE MET 62 -8.554 5.181 7.156 513 3HE MET 62 2HE MET 62 -9.214 6.803 7.345 514 H TYR 63 H TYR 63 -10.126 3.313 -0.098 515 HA TYR 63 HA TYR 63 -12.482 4.704 -1.276 516 1HB TYR 63 2HB TYR 63 -9.763 4.020 -2.420 517 2HB TYR 63 1HB TYR 63 -11.071 4.743 -3.358 518 HD1 TYR 63 HD2 TYR 63 -12.209 6.861 -2.228 519 HD2 TYR 63 HD1 TYR 63 -8.248 5.447 -1.351 520 HE1 TYR 63 HE2 TYR 63 -11.604 9.100 -1.354 521 HE2 TYR 63 HE1 TYR 63 -7.643 7.690 -0.477 522 HH TYR 63 HH TYR 63 -9.256 10.404 -1.111 523 H GLY 64 H GLY 64 -10.535 1.725 -1.632 524 1HA GLY 64 2HA GLY 64 -12.320 -0.242 -1.800 525 2HA GLY 64 1HA GLY 64 -12.685 0.567 -3.324 526 H TRP 65 H TRP 65 -9.603 -0.170 -1.664 527 HA TRP 65 HA TRP 65 -8.710 -1.492 -4.196 528 1HB TRP 65 2HB TRP 65 -7.153 0.073 -2.120 529 2HB TRP 65 1HB TRP 65 -6.384 -0.890 -3.383 530 HD1 TRP 65 HD1 TRP 65 -7.703 2.481 -2.742 531 HE1 TRP 65 HE1 TRP 65 -7.924 3.814 -4.937 532 HE3 TRP 65 HE3 TRP 65 -7.139 -1.298 -6.131 533 HZ2 TRP 65 HZ2 TRP 65 -7.870 3.340 -7.756 534 HZ3 TRP 65 HZ3 TRP 65 -7.227 -0.830 -8.562 535 HH2 TRP 65 HH2 TRP 65 -7.592 1.483 -9.380 536 H HIS 66 H HIS 66 -9.289 -3.613 -3.642 537 HA HIS 66 HA HIS 66 -8.424 -4.711 -1.042 538 1HB HIS 66 2HB HIS 66 -10.021 -5.822 -3.356 539 2HB HIS 66 1HB HIS 66 -9.500 -6.830 -2.005 540 HD1 HIS 66 HD1 HIS 66 -11.303 -3.490 -2.481 541 HD2 HIS 66 HD2 HIS 66 -11.300 -6.777 0.085 542 HE1 HIS 66 HE1 HIS 66 -13.155 -3.089 -0.798 543 H LYS 67 H LYS 67 -7.422 -7.051 -1.278 544 HA LYS 67 HA LYS 67 -5.308 -6.985 -3.388 545 1HB LYS 67 2HB LYS 67 -3.763 -7.961 -1.609 546 2HB LYS 67 1HB LYS 67 -4.192 -6.265 -1.393 547 1HG LYS 67 2HG LYS 67 -6.054 -7.029 0.146 548 2HG LYS 67 1HG LYS 67 -5.372 -8.653 0.057 549 1HD LYS 67 2HD LYS 67 -3.562 -8.109 1.346 550 2HD LYS 67 1HD LYS 67 -3.464 -6.470 0.701 551 1HE LYS 67 2HE LYS 67 -5.656 -6.035 1.999 552 2HE LYS 67 1HE LYS 67 -5.285 -7.527 2.863 553 1HZ LYS 67 1HZ LYS 67 -3.217 -5.456 2.582 554 2HZ LYS 67 3HZ LYS 67 -4.423 -5.271 3.759 555 3HZ LYS 67 2HZ LYS 67 -3.407 -6.632 3.794 556 H VAL 68 H VAL 68 -6.846 -8.534 -4.434 557 HA VAL 68 HA VAL 68 -6.528 -11.283 -3.287 558 HB VAL 68 HB VAL 68 -8.690 -11.837 -4.431 559 1HG1 VAL 68 2HG1 VAL 68 -8.331 -10.846 -1.982 560 2HG1 VAL 68 1HG1 VAL 68 -9.269 -9.509 -2.644 561 3HG1 VAL 68 3HG1 VAL 68 -9.949 -11.136 -2.619 562 1HG2 VAL 68 3HG2 VAL 68 -8.783 -8.829 -4.835 563 2HG2 VAL 68 2HG2 VAL 68 -8.643 -10.036 -6.113 564 3HG2 VAL 68 1HG2 VAL 68 -10.117 -9.939 -5.149 565 H GLN 69 H GLN 69 -6.391 -13.005 -4.959 566 HA GLN 69 HA GLN 69 -5.866 -12.163 -7.726 567 1HB GLN 69 2HB GLN 69 -3.730 -11.874 -6.202 568 2HB GLN 69 1HB GLN 69 -3.619 -13.625 -6.387 569 1HG GLN 69 2HG GLN 69 -4.041 -13.026 -8.946 570 2HG GLN 69 1HG GLN 69 -3.351 -11.479 -8.454 571 1HE2 GLN 69 2HE2 GLN 69 -0.101 -12.787 -8.697 572 2HE2 GLN 69 1HE2 GLN 69 -1.152 -11.474 -8.927 573 H ASP 70 H ASP 70 -7.653 -13.676 -8.031 574 HA ASP 70 HA ASP 70 -8.555 -15.781 -8.534 575 1HB ASP 70 2HB ASP 70 -5.639 -16.570 -8.812 576 2HB ASP 70 1HB ASP 70 -7.025 -17.355 -9.570 577 H VAL 71 H VAL 71 -7.582 -18.381 -7.992 578 HA VAL 71 HA VAL 71 -8.442 -18.772 -5.335 579 HB VAL 71 HB VAL 71 -8.525 -20.587 -6.923 580 1HG1 VAL 71 2HG1 VAL 71 -6.180 -19.744 -7.913 581 2HG1 VAL 71 1HG1 VAL 71 -5.587 -21.055 -6.897 582 3HG1 VAL 71 3HG1 VAL 71 -6.770 -21.387 -8.159 583 1HG2 VAL 71 1HG2 VAL 71 -6.543 -21.174 -4.703 584 2HG2 VAL 71 3HG2 VAL 71 -8.300 -21.283 -4.595 585 3HG2 VAL 71 2HG2 VAL 71 -7.408 -22.403 -5.625 586 H LYS 72 H LYS 72 -5.019 -18.948 -6.505 587 HA LYS 72 HA LYS 72 -3.915 -17.484 -4.360 588 1HB LYS 72 2HB LYS 72 -4.867 -19.875 -3.362 589 2HB LYS 72 1HB LYS 72 -3.190 -20.278 -3.719 590 1HG LYS 72 2HG LYS 72 -3.193 -19.434 -1.485 591 2HG LYS 72 1HG LYS 72 -2.549 -18.135 -2.488 592 1HD LYS 72 2HD LYS 72 -4.742 -17.049 -2.542 593 2HD LYS 72 1HD LYS 72 -5.442 -18.373 -1.609 594 1HE LYS 72 2HE LYS 72 -4.996 -16.812 0.069 595 2HE LYS 72 1HE LYS 72 -3.533 -17.795 0.106 596 1HZ LYS 72 3HZ LYS 72 -2.604 -16.142 -1.540 597 2HZ LYS 72 2HZ LYS 72 -3.924 -15.146 -1.153 598 3HZ LYS 72 1HZ LYS 72 -2.806 -15.585 0.049 599 H SER 73 H SER 73 -1.626 -17.366 -4.543 600 HA SER 73 HA SER 73 -0.560 -18.502 -7.058 601 1HB SER 73 2HB SER 73 0.525 -16.465 -5.094 602 2HB SER 73 1HB SER 73 1.435 -17.041 -6.488 603 HG SER 73 HG SER 73 0.182 -15.086 -6.830 604 H GLY 74 H GLY 74 0.560 -18.238 -3.664 605 1HA GLY 74 2HA GLY 74 1.071 -20.858 -3.043 606 2HA GLY 74 1HA GLY 74 2.461 -20.431 -4.042 607 H SER 75 H SER 75 3.835 -18.668 -3.310 608 HA SER 75 HA SER 75 5.165 -17.698 -1.646 609 1HB SER 75 2HB SER 75 4.010 -16.174 -0.192 610 2HB SER 75 1HB SER 75 3.134 -16.195 -1.720 611 HG SER 75 HG SER 75 1.471 -16.897 -0.663 612 H MET 76 H MET 76 5.821 -19.970 -1.036 613 HA MET 76 HA MET 76 5.264 -20.392 1.847 614 1HB MET 76 2HB MET 76 3.743 -21.846 0.320 615 2HB MET 76 1HB MET 76 5.215 -22.753 -0.028 616 1HG MET 76 2HG MET 76 4.688 -22.182 2.841 617 2HG MET 76 1HG MET 76 3.586 -23.318 2.067 618 1HE MET 76 1HE MET 76 4.061 -25.208 0.892 619 2HE MET 76 3HE MET 76 5.385 -26.336 1.211 620 3HE MET 76 2HE MET 76 4.239 -25.933 2.487 621 H LEU 77 H LEU 77 6.945 -22.095 -0.824 622 HA LEU 77 HA LEU 77 9.252 -22.658 0.859 623 1HB LEU 77 2HB LEU 77 8.466 -24.085 -1.093 624 2HB LEU 77 1HB LEU 77 9.090 -22.830 -2.162 625 HG LEU 77 HG LEU 77 11.236 -23.180 -0.526 626 1HD1 LEU 77 2HD1 LEU 77 9.850 -25.867 -0.776 627 2HD1 LEU 77 1HD1 LEU 77 11.527 -25.651 -0.274 628 3HD1 LEU 77 3HD1 LEU 77 10.218 -25.011 0.721 629 1HD2 LEU 77 3HD2 LEU 77 10.435 -24.564 -3.089 630 2HD2 LEU 77 2HD2 LEU 77 11.522 -23.192 -2.879 631 3HD2 LEU 77 1HD2 LEU 77 12.031 -24.805 -2.377 632 H SER 78 H SER 78 8.389 -20.216 -1.529 633 HA SER 78 HA SER 78 11.100 -19.114 -1.661 634 1HB SER 78 2HB SER 78 8.450 -18.056 -2.678 635 2HB SER 78 1HB SER 78 10.016 -17.322 -3.011 636 HG SER 78 HG SER 78 10.633 -19.246 -4.028 637 H ASN 79 H ASN 79 8.840 -19.015 0.768 638 HA ASN 79 HA ASN 79 8.534 -17.602 2.607 639 1HB ASN 79 2HB ASN 79 11.270 -17.003 1.612 640 2HB ASN 79 1HB ASN 79 10.558 -15.787 2.670 641 1HD2 ASN 79 2HD2 ASN 79 10.417 -18.011 5.511 642 2HD2 ASN 79 1HD2 ASN 79 9.605 -16.702 4.797 643 H ASN 80 H ASN 80 8.822 -14.931 3.021 644 HA ASN 80 HA ASN 80 6.739 -13.753 1.488 645 1HB ASN 80 2HB ASN 80 7.546 -11.591 2.502 646 2HB ASN 80 1HB ASN 80 7.286 -12.876 3.682 647 1HD2 ASN 80 2HD2 ASN 80 10.723 -13.138 4.555 648 2HD2 ASN 80 1HD2 ASN 80 9.183 -13.841 4.697 649 H ASP 81 H ASP 81 6.838 -13.232 -0.638 650 HA ASP 81 HA ASP 81 9.429 -12.701 -1.930 651 1HB ASP 81 2HB ASP 81 6.617 -12.724 -3.069 652 2HB ASP 81 1HB ASP 81 8.102 -12.612 -4.013 653 H SER 82 H SER 82 7.029 -10.818 -0.383 654 HA SER 82 HA SER 82 6.800 -8.502 -0.161 655 1HB SER 82 2HB SER 82 9.396 -8.702 -0.278 656 2HB SER 82 1HB SER 82 9.212 -8.122 -1.930 657 HG SER 82 HG SER 82 8.515 -6.859 0.501 658 H ARG 83 H ARG 83 5.513 -9.940 -2.343 659 HA ARG 83 HA ARG 83 5.419 -7.776 -4.410 660 1HB ARG 83 2HB ARG 83 4.466 -9.534 -5.922 661 2HB ARG 83 1HB ARG 83 6.115 -9.881 -5.404 662 1HG ARG 83 2HG ARG 83 5.468 -11.811 -4.438 663 2HG ARG 83 1HG ARG 83 4.244 -10.975 -3.485 664 1HD ARG 83 2HD ARG 83 3.112 -12.605 -4.864 665 2HD ARG 83 1HD ARG 83 2.751 -11.008 -5.518 666 HE ARG 83 HE ARG 83 3.973 -11.582 -7.460 667 1HH1 ARG 83 1HH2 ARG 83 6.550 -12.399 -6.440 668 2HH1 ARG 83 2HH2 ARG 83 6.587 -14.110 -6.707 669 1HH2 ARG 83 2HH1 ARG 83 3.156 -14.385 -7.127 670 2HH2 ARG 83 1HH1 ARG 83 4.665 -15.236 -7.096 671 H TRP 84 H TRP 84 3.848 -6.509 -3.362 672 HA TRP 84 HA TRP 84 1.356 -7.707 -2.406 673 1HB TRP 84 2HB TRP 84 2.245 -4.830 -2.739 674 2HB TRP 84 1HB TRP 84 0.686 -5.303 -2.063 675 HD1 TRP 84 HD1 TRP 84 4.404 -6.195 -1.453 676 HE1 TRP 84 HE1 TRP 84 4.765 -6.416 1.090 677 HE3 TRP 84 HE3 TRP 84 -0.353 -5.338 0.186 678 HZ2 TRP 84 HZ2 TRP 84 3.233 -6.257 3.502 679 HZ3 TRP 84 HZ3 TRP 84 -0.876 -5.382 2.608 680 HH2 TRP 84 HH2 TRP 84 0.909 -5.839 4.267 681 H GLU 85 H GLU 85 -0.676 -7.515 -3.391 682 HA GLU 85 HA GLU 85 -0.632 -6.681 -6.265 683 1HB GLU 85 2HB GLU 85 -2.532 -8.609 -4.889 684 2HB GLU 85 1HB GLU 85 -2.467 -8.258 -6.616 685 1HG GLU 85 2HG GLU 85 -1.112 -10.090 -6.691 686 2HG GLU 85 1HG GLU 85 0.128 -8.960 -6.148 687 H PHE 86 H PHE 86 -2.717 -5.686 -7.024 688 HA PHE 86 HA PHE 86 -4.481 -4.610 -4.927 689 1HB PHE 86 2HB PHE 86 -2.562 -2.909 -6.512 690 2HB PHE 86 1HB PHE 86 -4.066 -2.237 -5.878 691 HD1 PHE 86 HD1 PHE 86 -4.503 -2.240 -3.421 692 HD2 PHE 86 HD2 PHE 86 -0.730 -3.466 -5.060 693 HE1 PHE 86 HE1 PHE 86 -3.458 -2.014 -1.181 694 HE2 PHE 86 HE2 PHE 86 0.316 -3.241 -2.823 695 HZ PHE 86 HZ PHE 86 -1.047 -2.516 -0.882 696 H GLU 87 H GLU 87 -6.506 -4.327 -5.705 697 HA GLU 87 HA GLU 87 -7.024 -3.733 -8.526 698 1HB GLU 87 2HB GLU 87 -8.610 -5.816 -8.622 699 2HB GLU 87 1HB GLU 87 -6.895 -6.039 -8.951 700 1HG GLU 87 2HG GLU 87 -7.739 -6.287 -6.105 701 2HG GLU 87 1HG GLU 87 -8.251 -7.577 -7.196 702 H ASN 88 H ASN 88 -9.388 -3.389 -8.877 703 HA ASN 88 HA ASN 88 -10.594 -2.240 -6.438 704 1HB ASN 88 2HB ASN 88 -11.070 -1.995 -9.389 705 2HB ASN 88 1HB ASN 88 -12.386 -1.595 -8.285 706 1HD2 ASN 88 2HD2 ASN 88 -10.105 1.402 -8.892 707 2HD2 ASN 88 1HD2 ASN 88 -10.825 0.306 -9.971 708 H GLU 89 H GLU 89 -10.588 -4.912 -6.103 709 HA GLU 89 HA GLU 89 -11.855 -6.888 -5.937 710 1HB GLU 89 2HB GLU 89 -14.069 -6.453 -4.857 711 2HB GLU 89 1HB GLU 89 -12.732 -5.585 -4.105 712 1HG GLU 89 2HG GLU 89 -13.350 -3.531 -5.191 713 2HG GLU 89 1HG GLU 89 -14.526 -4.361 -6.212 714 H ARG 90 H ARG 90 -11.859 -5.829 -8.669 715 HA ARG 90 HA ARG 90 -12.951 -6.240 -10.703 716 1HB ARG 90 2HB ARG 90 -14.569 -8.171 -9.012 717 2HB ARG 90 1HB ARG 90 -14.487 -8.160 -10.771 718 1HG ARG 90 2HG ARG 90 -11.871 -8.295 -10.294 719 2HG ARG 90 1HG ARG 90 -12.429 -9.019 -8.785 720 1HD ARG 90 2HD ARG 90 -13.967 -10.453 -10.345 721 2HD ARG 90 1HD ARG 90 -12.820 -9.991 -11.603 722 HE ARG 90 HE ARG 90 -11.103 -10.917 -9.767 723 1HH1 ARG 90 2HH1 ARG 90 -12.896 -12.361 -8.079 724 2HH1 ARG 90 1HH1 ARG 90 -13.112 -13.889 -8.865 725 1HH2 ARG 90 1HH2 ARG 90 -11.943 -12.773 -11.934 726 2HH2 ARG 90 2HH2 ARG 90 -12.573 -14.123 -11.050 727 H HIS 91 H HIS 91 -15.481 -6.538 -11.507 728 HA HIS 91 HA HIS 91 -16.759 -4.039 -10.655 729 1HB HIS 91 2HB HIS 91 -16.837 -5.770 -12.970 730 2HB HIS 91 1HB HIS 91 -18.480 -5.501 -12.393 731 HD1 HIS 91 HD1 HIS 91 -19.513 -3.509 -13.445 732 HD2 HIS 91 HD2 HIS 91 -15.402 -3.006 -12.971 733 HE1 HIS 91 HE1 HIS 91 -18.964 -1.212 -14.356 734 H ALA 92 HN ALA 92 -17.293 -4.629 -8.449 735 HA ALA 92 HA ALA 92 -19.370 -6.745 -8.150 736 1HB ALA 92 2HB ALA 92 -17.562 -5.316 -6.200 737 2HB ALA 92 1HB ALA 92 -18.973 -6.219 -5.651 738 3HB ALA 92 3HB ALA 92 -17.681 -7.046 -6.520 No H/Q in entry = 738 Start of MODEL 25 Raw file had 756 H/Q atoms Start of MODEL 25 1 1H ALA 1 2H ALA 1 -14.535 11.934 -10.556 2 2H ALA 1 1H ALA 1 -13.511 10.683 -11.080 3 3H ALA 1 3H ALA 1 -14.019 10.739 -9.463 4 HA ALA 1 HA ALA 1 -11.851 11.544 -9.381 5 1HB ALA 1 3HB ALA 1 -12.102 11.949 -12.031 6 2HB ALA 1 2HB ALA 1 -12.286 13.614 -11.479 7 3HB ALA 1 1HB ALA 1 -10.827 12.709 -11.078 8 H ARG 2 H ARG 2 -11.382 13.196 -7.961 9 HA ARG 2 HA ARG 2 -12.235 15.766 -7.746 10 1HB ARG 2 2HB ARG 2 -14.138 15.724 -6.082 11 2HB ARG 2 1HB ARG 2 -14.576 15.275 -7.722 12 1HG ARG 2 2HG ARG 2 -14.347 12.864 -7.055 13 2HG ARG 2 1HG ARG 2 -14.073 13.402 -5.398 14 1HD ARG 2 2HD ARG 2 -16.488 14.415 -6.852 15 2HD ARG 2 1HD ARG 2 -16.512 12.775 -6.201 16 HE ARG 2 HE ARG 2 -16.104 13.759 -3.958 17 1HH1 ARG 2 2HH1 ARG 2 -18.216 15.246 -6.021 18 2HH1 ARG 2 1HH1 ARG 2 -18.215 16.788 -5.234 19 1HH2 ARG 2 1HH2 ARG 2 -15.549 16.023 -3.151 20 2HH2 ARG 2 2HH2 ARG 2 -16.706 17.228 -3.612 21 HA PRO 3 HA PRO 3 -11.108 14.425 -3.397 22 1HB PRO 3 2HB PRO 3 -9.997 11.964 -2.946 23 2HB PRO 3 1HB PRO 3 -11.715 12.323 -2.699 24 1HG PRO 3 2HG PRO 3 -10.428 10.743 -4.835 25 2HG PRO 3 1HG PRO 3 -12.102 10.701 -4.263 26 1HD PRO 3 2HD PRO 3 -11.115 11.973 -6.607 27 2HD PRO 3 1HD PRO 3 -12.757 12.049 -5.966 28 H ALA 4 H ALA 4 -8.944 14.617 -2.499 29 HA ALA 4 HA ALA 4 -6.927 15.164 -4.532 30 1HB ALA 4 2HB ALA 4 -7.275 16.553 -2.460 31 2HB ALA 4 1HB ALA 4 -6.612 15.216 -1.521 32 3HB ALA 4 3HB ALA 4 -5.606 16.041 -2.712 33 H PHE 5 H PHE 5 -7.668 12.451 -2.476 34 HA PHE 5 HA PHE 5 -4.964 11.369 -2.465 35 1HB PHE 5 2HB PHE 5 -6.714 10.771 -0.750 36 2HB PHE 5 1HB PHE 5 -7.551 9.856 -2.007 37 HD1 PHE 5 HD2 PHE 5 -4.333 10.153 -0.155 38 HD2 PHE 5 HD1 PHE 5 -6.789 7.699 -2.687 39 HE1 PHE 5 HE2 PHE 5 -2.789 8.245 0.198 40 HE2 PHE 5 HE1 PHE 5 -5.242 5.792 -2.336 41 HZ PHE 5 HZ PHE 5 -3.241 6.065 -0.893 42 H VAL 6 H VAL 6 -7.943 10.647 -4.319 43 HA VAL 6 HA VAL 6 -6.679 8.625 -5.944 44 HB VAL 6 HB VAL 6 -9.120 10.312 -6.587 45 1HG1 VAL 6 2HG1 VAL 6 -7.798 8.762 -8.331 46 2HG1 VAL 6 1HG1 VAL 6 -8.721 7.500 -7.517 47 3HG1 VAL 6 3HG1 VAL 6 -9.559 8.833 -8.310 48 1HG2 VAL 6 1HG2 VAL 6 -9.069 8.970 -4.377 49 2HG2 VAL 6 3HG2 VAL 6 -10.419 8.666 -5.470 50 3HG2 VAL 6 2HG2 VAL 6 -9.070 7.533 -5.400 51 H ASN 7 H ASN 7 -7.229 12.126 -6.359 52 HA ASN 7 HA ASN 7 -6.143 12.271 -9.020 53 1HB ASN 7 2HB ASN 7 -6.576 14.276 -6.820 54 2HB ASN 7 1HB ASN 7 -5.681 14.732 -8.269 55 1HD2 ASN 7 2HD2 ASN 7 -9.448 13.414 -9.206 56 2HD2 ASN 7 1HD2 ASN 7 -8.409 12.409 -8.324 57 H LYS 8 H LYS 8 -4.731 12.245 -5.823 58 HA LYS 8 HA LYS 8 -2.052 12.993 -6.702 59 1HB LYS 8 2HB LYS 8 -2.663 13.538 -4.447 60 2HB LYS 8 1HB LYS 8 -3.238 11.907 -4.133 61 1HG LYS 8 2HG LYS 8 -0.449 11.852 -4.939 62 2HG LYS 8 1HG LYS 8 -0.671 12.948 -3.579 63 1HD LYS 8 2HD LYS 8 -1.242 11.265 -2.140 64 2HD LYS 8 1HD LYS 8 -2.125 10.371 -3.377 65 1HE LYS 8 2HE LYS 8 -0.094 9.155 -2.654 66 2HE LYS 8 1HE LYS 8 -0.005 9.604 -4.358 67 1HZ LYS 8 2HZ LYS 8 1.099 11.363 -2.264 68 2HZ LYS 8 1HZ LYS 8 2.007 10.065 -2.876 69 3HZ LYS 8 3HZ LYS 8 1.487 11.299 -3.918 70 H LEU 9 H LEU 9 -3.920 10.054 -6.507 71 HA LEU 9 HA LEU 9 -1.618 8.262 -6.487 72 1HB LEU 9 2HB LEU 9 -3.956 7.735 -5.595 73 2HB LEU 9 1HB LEU 9 -4.450 7.563 -7.280 74 HG LEU 9 HG LEU 9 -2.413 5.963 -7.484 75 1HD1 LEU 9 2HD1 LEU 9 -2.581 6.483 -4.559 76 2HD1 LEU 9 1HD1 LEU 9 -2.338 4.804 -5.042 77 3HD1 LEU 9 3HD1 LEU 9 -1.186 6.043 -5.545 78 1HD2 LEU 9 3HD2 LEU 9 -5.073 5.549 -7.115 79 2HD2 LEU 9 2HD2 LEU 9 -3.911 4.235 -7.305 80 3HD2 LEU 9 1HD2 LEU 9 -4.435 4.723 -5.693 81 H TRP 10 H TRP 10 -3.592 9.838 -8.919 82 HA TRP 10 HA TRP 10 -2.853 8.110 -11.113 83 1HB TRP 10 2HB TRP 10 -3.830 10.979 -11.089 84 2HB TRP 10 1HB TRP 10 -3.668 9.992 -12.541 85 HD1 TRP 10 HD1 TRP 10 -6.302 11.110 -10.551 86 HE1 TRP 10 HE1 TRP 10 -8.239 9.429 -10.326 87 HE3 TRP 10 HE3 TRP 10 -3.957 6.846 -12.116 88 HZ2 TRP 10 HZ2 TRP 10 -8.732 6.645 -10.756 89 HZ3 TRP 10 HZ3 TRP 10 -5.185 4.699 -12.199 90 HH2 TRP 10 HH2 TRP 10 -7.568 4.593 -11.523 91 H SER 11 H SER 11 -1.160 10.605 -9.418 92 HA SER 11 HA SER 11 0.731 10.987 -11.679 93 1HB SER 11 2HB SER 11 1.538 12.904 -10.508 94 2HB SER 11 1HB SER 11 -0.213 12.949 -10.336 95 HG SER 11 HG SER 11 0.073 11.927 -8.288 96 H MET 12 H MET 12 0.447 9.403 -8.589 97 HA MET 12 HA MET 12 3.332 9.060 -8.230 98 1HB MET 12 2HB MET 12 1.087 8.881 -6.575 99 2HB MET 12 1HB MET 12 1.628 7.212 -6.731 100 1HG MET 12 2HG MET 12 3.601 9.410 -6.148 101 2HG MET 12 1HG MET 12 2.666 8.675 -4.847 102 1HE MET 12 3HE MET 12 2.248 6.306 -4.693 103 2HE MET 12 2HE MET 12 3.502 5.072 -4.783 104 3HE MET 12 1HE MET 12 3.644 6.378 -3.608 105 H VAL 13 H VAL 13 0.625 7.140 -9.458 106 HA VAL 13 HA VAL 13 2.382 4.806 -9.891 107 HB VAL 13 HB VAL 13 -0.468 5.074 -10.862 108 1HG1 VAL 13 2HG1 VAL 13 1.344 3.101 -11.242 109 2HG1 VAL 13 1HG1 VAL 13 0.648 2.575 -9.711 110 3HG1 VAL 13 3HG1 VAL 13 -0.389 2.804 -11.119 111 1HG2 VAL 13 1HG2 VAL 13 -0.381 5.709 -8.448 112 2HG2 VAL 13 3HG2 VAL 13 -1.228 4.184 -8.706 113 3HG2 VAL 13 2HG2 VAL 13 0.428 4.182 -8.098 114 H ASN 14 H ASN 14 2.127 7.646 -11.486 115 HA ASN 14 HA ASN 14 1.652 6.829 -14.189 116 1HB ASN 14 2HB ASN 14 2.462 8.993 -14.836 117 2HB ASN 14 1HB ASN 14 1.515 9.181 -13.370 118 1HD2 ASN 14 2HD2 ASN 14 5.057 9.352 -11.725 119 2HD2 ASN 14 1HD2 ASN 14 4.058 7.998 -11.839 120 H ASP 15 H ASP 15 4.276 6.082 -12.174 121 HA ASP 15 HA ASP 15 6.342 5.084 -12.610 122 1HB ASP 15 2HB ASP 15 4.679 4.460 -15.018 123 2HB ASP 15 1HB ASP 15 6.397 4.063 -15.053 124 H LYS 16 H LYS 16 6.167 7.956 -13.130 125 HA LYS 16 HA LYS 16 7.842 8.333 -15.542 126 1HB LYS 16 2HB LYS 16 5.940 9.939 -14.203 127 2HB LYS 16 1HB LYS 16 7.492 10.733 -13.944 128 1HG LYS 16 2HG LYS 16 6.629 11.609 -15.999 129 2HG LYS 16 1HG LYS 16 7.898 10.470 -16.449 130 1HD LYS 16 2HD LYS 16 6.161 8.712 -16.774 131 2HD LYS 16 1HD LYS 16 4.918 9.912 -16.423 132 1HE LYS 16 2HE LYS 16 6.903 10.662 -18.500 133 2HE LYS 16 1HE LYS 16 5.772 9.380 -18.932 134 1HZ LYS 16 2HZ LYS 16 4.881 11.927 -17.719 135 2HZ LYS 16 1HZ LYS 16 5.040 11.734 -19.399 136 3HZ LYS 16 3HZ LYS 16 3.946 10.767 -18.535 137 H SER 17 H SER 17 8.040 9.555 -12.187 138 HA SER 17 HA SER 17 10.979 9.590 -12.364 139 1HB SER 17 2HB SER 17 10.666 10.411 -9.916 140 2HB SER 17 1HB SER 17 10.135 11.469 -11.219 141 HG SER 17 HG SER 17 8.527 11.260 -9.630 142 H ASN 18 H ASN 18 8.423 7.705 -10.842 143 HA ASN 18 HA ASN 18 10.467 6.039 -9.450 144 1HB ASN 18 2HB ASN 18 7.530 5.507 -9.153 145 2HB ASN 18 1HB ASN 18 8.820 5.321 -7.972 146 1HD2 ASN 18 2HD2 ASN 18 6.600 8.599 -7.780 147 2HD2 ASN 18 1HD2 ASN 18 6.140 7.157 -8.550 148 H GLU 19 H GLU 19 10.244 5.890 -12.315 149 HA GLU 19 HA GLU 19 8.622 3.596 -13.072 150 1HB GLU 19 2HB GLU 19 9.542 5.494 -14.586 151 2HB GLU 19 1HB GLU 19 11.035 4.564 -14.600 152 1HG GLU 19 2HG GLU 19 9.851 2.606 -15.466 153 2HG GLU 19 1HG GLU 19 8.315 3.469 -15.378 154 H LYS 20 H LYS 20 9.356 2.118 -11.380 155 HA LYS 20 HA LYS 20 11.071 0.082 -12.168 156 1HB LYS 20 2HB LYS 20 12.711 2.222 -11.543 157 2HB LYS 20 1HB LYS 20 12.635 1.373 -10.008 158 1HG LYS 20 2HG LYS 20 14.405 0.269 -11.029 159 2HG LYS 20 1HG LYS 20 13.052 -0.759 -11.500 160 1HD LYS 20 2HD LYS 20 12.870 0.605 -13.620 161 2HD LYS 20 1HD LYS 20 14.379 1.395 -13.163 162 1HE LYS 20 2HE LYS 20 15.486 -0.830 -13.067 163 2HE LYS 20 1HE LYS 20 13.984 -1.577 -13.612 164 1HZ LYS 20 2HZ LYS 20 15.195 0.619 -15.157 165 2HZ LYS 20 1HZ LYS 20 15.777 -0.967 -15.334 166 3HZ LYS 20 3HZ LYS 20 14.155 -0.616 -15.686 167 H PHE 21 H PHE 21 9.830 2.029 -9.499 168 HA PHE 21 HA PHE 21 9.807 -0.309 -7.686 169 1HB PHE 21 2HB PHE 21 8.757 2.496 -7.212 170 2HB PHE 21 1HB PHE 21 9.055 1.260 -5.990 171 HD1 PHE 21 HD1 PHE 21 11.496 0.286 -5.908 172 HD2 PHE 21 HD2 PHE 21 10.445 4.034 -7.725 173 HE1 PHE 21 HE1 PHE 21 13.854 1.036 -5.730 174 HE2 PHE 21 HE2 PHE 21 12.801 4.784 -7.541 175 HZ PHE 21 HZ PHE 21 14.506 3.284 -6.543 176 H ILE 22 H ILE 22 7.421 1.944 -9.128 177 HA ILE 22 HA ILE 22 5.321 -0.093 -8.520 178 HB ILE 22 HB ILE 22 4.977 2.140 -7.489 179 1HG1 ILE 22 2HG1 ILE 22 2.958 1.836 -9.707 180 2HG1 ILE 22 1HG1 ILE 22 3.096 0.618 -8.439 181 1HG2 ILE 22 2HG2 ILE 22 4.951 3.074 -10.374 182 2HG2 ILE 22 1HG2 ILE 22 4.420 4.051 -9.005 183 3HG2 ILE 22 3HG2 ILE 22 6.105 3.543 -9.125 184 1HD1 ILE 22 3HD1 ILE 22 2.650 3.581 -7.961 185 2HD1 ILE 22 2HD1 ILE 22 1.398 2.342 -7.879 186 3HD1 ILE 22 1HD1 ILE 22 2.727 2.329 -6.721 187 H HIS 23 H HIS 23 3.672 -0.433 -10.206 188 HA HIS 23 HA HIS 23 4.174 0.545 -12.915 189 1HB HIS 23 2HB HIS 23 5.906 -1.207 -12.720 190 2HB HIS 23 1HB HIS 23 4.675 -2.375 -12.247 191 HD1 HIS 23 HD1 HIS 23 5.260 0.020 -15.176 192 HD2 HIS 23 HD2 HIS 23 3.728 -3.782 -14.418 193 HE1 HIS 23 HE1 HIS 23 4.604 -0.951 -17.422 194 H TRP 24 H TRP 24 2.439 -0.050 -14.356 195 HA TRP 24 HA TRP 24 -0.066 -0.689 -12.964 196 1HB TRP 24 2HB TRP 24 0.654 0.192 -15.746 197 2HB TRP 24 1HB TRP 24 -0.944 -0.478 -15.424 198 HD1 TRP 24 HD1 TRP 24 1.313 2.083 -13.564 199 HE1 TRP 24 HE1 TRP 24 -0.166 4.096 -12.915 200 HE3 TRP 24 HE3 TRP 24 -3.155 0.567 -15.507 201 HZ2 TRP 24 HZ2 TRP 24 -2.880 4.952 -13.186 202 HZ3 TRP 24 HZ3 TRP 24 -5.169 1.995 -15.299 203 HH2 TRP 24 HH2 TRP 24 -5.039 4.185 -14.143 204 H SER 25 H SER 25 -1.417 -2.475 -13.494 205 HA SER 25 HA SER 25 0.079 -4.870 -14.372 206 1HB SER 25 2HB SER 25 -1.364 -4.912 -12.316 207 2HB SER 25 1HB SER 25 -2.768 -4.649 -13.346 208 HG SER 25 HG SER 25 -2.161 -6.582 -14.461 209 H THR 26 H THR 26 -2.517 -2.753 -15.426 210 HA THR 26 HA THR 26 -3.612 -2.571 -17.484 211 HB THR 26 HB THR 26 -1.661 -4.613 -18.559 212 HG1 THR 26 HG1 THR 26 -1.306 -1.838 -18.110 213 1HG2 THR 26 2HG2 THR 26 -3.093 -2.229 -19.762 214 2HG2 THR 26 1HG2 THR 26 -1.946 -3.257 -20.620 215 3HG2 THR 26 3HG2 THR 26 -3.476 -3.926 -20.054 216 H SER 27 H SER 27 -5.354 -3.634 -18.484 217 HA SER 27 HA SER 27 -7.021 -5.268 -18.716 218 1HB SER 27 2HB SER 27 -4.892 -6.453 -19.683 219 2HB SER 27 1HB SER 27 -4.947 -7.385 -18.189 220 HG SER 27 HG SER 27 -6.346 -8.529 -19.278 221 H GLY 28 H GLY 28 -7.478 -4.280 -16.429 222 1HA GLY 28 2HA GLY 28 -8.721 -5.869 -14.689 223 2HA GLY 28 1HA GLY 28 -7.056 -6.246 -14.250 224 H GLU 29 H GLU 29 -6.446 -3.280 -15.032 225 HA GLU 29 HA GLU 29 -6.183 -1.275 -13.860 226 1HB GLU 29 2HB GLU 29 -8.971 -2.134 -13.192 227 2HB GLU 29 1HB GLU 29 -8.266 -0.801 -12.278 228 1HG GLU 29 2HG GLU 29 -8.062 0.561 -14.159 229 2HG GLU 29 1HG GLU 29 -8.054 -0.808 -15.272 230 H SER 30 H SER 30 -4.863 -3.487 -12.766 231 HA SER 30 HA SER 30 -5.189 -3.047 -9.823 232 1HB SER 30 2HB SER 30 -5.591 -5.360 -10.265 233 2HB SER 30 1HB SER 30 -4.242 -5.454 -11.394 234 HG SER 30 HG SER 30 -4.277 -5.763 -8.709 235 H ILE 31 H ILE 31 -3.198 -2.880 -8.591 236 HA ILE 31 HA ILE 31 -0.936 -1.819 -10.226 237 HB ILE 31 HB ILE 31 -1.397 -1.438 -7.251 238 1HG1 ILE 31 2HG1 ILE 31 -2.082 0.494 -9.484 239 2HG1 ILE 31 1HG1 ILE 31 -3.276 -0.539 -8.697 240 1HG2 ILE 31 2HG2 ILE 31 0.552 -0.464 -9.280 241 2HG2 ILE 31 1HG2 ILE 31 0.001 0.705 -8.078 242 3HG2 ILE 31 3HG2 ILE 31 0.784 -0.790 -7.561 243 1HD1 ILE 31 2HD1 ILE 31 -2.696 0.463 -6.512 244 2HD1 ILE 31 1HD1 ILE 31 -1.523 1.511 -7.309 245 3HD1 ILE 31 3HD1 ILE 31 -3.243 1.691 -7.654 246 H VAL 32 H VAL 32 1.063 -2.819 -10.115 247 HA VAL 32 HA VAL 32 1.259 -5.187 -8.293 248 HB VAL 32 HB VAL 32 2.696 -4.717 -10.924 249 1HG1 VAL 32 1HG1 VAL 32 2.569 -7.025 -8.973 250 2HG1 VAL 32 3HG1 VAL 32 3.074 -7.242 -10.648 251 3HG1 VAL 32 2HG1 VAL 32 4.000 -6.191 -9.576 252 1HG2 VAL 32 1HG2 VAL 32 0.045 -5.213 -10.711 253 2HG2 VAL 32 3HG2 VAL 32 1.035 -5.879 -12.010 254 3HG2 VAL 32 2HG2 VAL 32 0.657 -6.863 -10.597 255 H VAL 33 H VAL 33 2.687 -4.940 -6.667 256 HA VAL 33 HA VAL 33 4.930 -2.985 -7.034 257 HB VAL 33 HB VAL 33 3.716 -4.083 -4.478 258 1HG1 VAL 33 1HG1 VAL 33 5.909 -2.053 -4.982 259 2HG1 VAL 33 3HG1 VAL 33 5.106 -2.254 -3.425 260 3HG1 VAL 33 2HG1 VAL 33 6.049 -3.579 -4.107 261 1HG2 VAL 33 2HG2 VAL 33 2.229 -2.512 -5.670 262 2HG2 VAL 33 1HG2 VAL 33 2.857 -1.784 -4.191 263 3HG2 VAL 33 3HG2 VAL 33 3.540 -1.335 -5.754 264 HA PRO 34 HA PRO 34 7.014 -6.993 -7.009 265 1HB PRO 34 2HB PRO 34 9.225 -6.225 -8.438 266 2HB PRO 34 1HB PRO 34 7.713 -6.763 -9.189 267 1HG PRO 34 2HG PRO 34 8.824 -4.013 -8.973 268 2HG PRO 34 1HG PRO 34 7.711 -4.686 -10.175 269 1HD PRO 34 2HD PRO 34 6.997 -3.042 -7.988 270 2HD PRO 34 1HD PRO 34 5.883 -3.965 -9.011 271 H ASN 35 H ASN 35 8.464 -3.799 -6.418 272 HA ASN 35 HA ASN 35 10.124 -5.061 -4.271 273 1HB ASN 35 2HB ASN 35 10.808 -2.930 -6.287 274 2HB ASN 35 1HB ASN 35 11.648 -2.986 -4.736 275 1HD2 ASN 35 2HD2 ASN 35 13.838 -5.156 -6.584 276 2HD2 ASN 35 1HD2 ASN 35 13.615 -3.541 -6.110 277 H ARG 36 H ARG 36 8.124 -4.542 -2.964 278 HA ARG 36 HA ARG 36 7.301 -1.827 -2.512 279 1HB ARG 36 2HB ARG 36 6.088 -2.698 -0.600 280 2HB ARG 36 1HB ARG 36 5.973 -3.889 -1.892 281 1HG ARG 36 2HG ARG 36 6.656 -5.356 -0.289 282 2HG ARG 36 1HG ARG 36 8.259 -4.709 -0.627 283 1HD ARG 36 2HD ARG 36 8.254 -3.337 1.260 284 2HD ARG 36 1HD ARG 36 6.495 -3.291 1.346 285 HE ARG 36 HE ARG 36 7.041 -5.931 1.857 286 1HH1 ARG 36 1HH2 ARG 36 9.537 -5.836 3.009 287 2HH1 ARG 36 2HH2 ARG 36 9.336 -5.180 4.600 288 1HH2 ARG 36 2HH1 ARG 36 6.215 -3.821 3.936 289 2HH2 ARG 36 1HH1 ARG 36 7.456 -4.041 5.125 290 H GLU 37 H GLU 37 9.906 -3.781 -1.256 291 HA GLU 37 HA GLU 37 10.530 -2.372 1.121 292 1HB GLU 37 2HB GLU 37 11.532 -4.553 0.317 293 2HB GLU 37 1HB GLU 37 12.546 -3.607 -0.770 294 1HG GLU 37 2HG GLU 37 13.781 -2.683 0.958 295 2HG GLU 37 1HG GLU 37 12.468 -2.852 2.125 296 H ARG 38 H ARG 38 12.388 -2.026 -1.926 297 HA ARG 38 HA ARG 38 13.592 0.446 -1.153 298 1HB ARG 38 2HB ARG 38 13.293 -1.070 -3.713 299 2HB ARG 38 1HB ARG 38 13.832 0.606 -3.794 300 1HG ARG 38 2HG ARG 38 15.850 -0.579 -3.584 301 2HG ARG 38 1HG ARG 38 15.509 -0.081 -1.926 302 1HD ARG 38 2HD ARG 38 14.702 -2.241 -1.334 303 2HD ARG 38 1HD ARG 38 14.589 -2.744 -3.020 304 HE ARG 38 HE ARG 38 17.308 -2.066 -2.383 305 1HH1 ARG 38 1HH2 ARG 38 16.297 -3.849 -0.083 306 2HH1 ARG 38 2HH2 ARG 38 16.773 -5.411 -0.662 307 1HH2 ARG 38 2HH1 ARG 38 17.315 -4.337 -3.913 308 2HH2 ARG 38 1HH1 ARG 38 17.350 -5.687 -2.829 309 H PHE 39 H PHE 39 10.515 -0.275 -2.662 310 HA PHE 39 HA PHE 39 9.898 2.190 -3.887 311 1HB PHE 39 2HB PHE 39 8.377 0.393 -4.222 312 2HB PHE 39 1HB PHE 39 8.203 0.107 -2.494 313 HD1 PHE 39 HD1 PHE 39 7.310 2.410 -5.279 314 HD2 PHE 39 HD2 PHE 39 6.649 1.348 -1.168 315 HE1 PHE 39 HE1 PHE 39 5.339 3.917 -5.202 316 HE2 PHE 39 HE2 PHE 39 4.679 2.852 -1.094 317 HZ PHE 39 HZ PHE 39 4.025 4.137 -3.110 318 H VAL 40 H VAL 40 8.887 1.234 -0.581 319 HA VAL 40 HA VAL 40 7.989 3.790 0.228 320 HB VAL 40 HB VAL 40 9.261 1.699 2.016 321 1HG1 VAL 40 2HG1 VAL 40 8.793 3.911 3.050 322 2HG1 VAL 40 1HG1 VAL 40 7.110 3.774 2.542 323 3HG1 VAL 40 3HG1 VAL 40 7.772 2.640 3.720 324 1HG2 VAL 40 3HG2 VAL 40 6.510 1.895 0.778 325 2HG2 VAL 40 2HG2 VAL 40 7.612 0.520 0.773 326 3HG2 VAL 40 1HG2 VAL 40 6.793 0.988 2.263 327 H GLN 41 H GLN 41 11.141 2.261 0.885 328 HA GLN 41 HA GLN 41 12.327 4.424 2.253 329 1HB GLN 41 2HB GLN 41 13.381 2.093 0.703 330 2HB GLN 41 1HB GLN 41 14.507 3.344 1.231 331 1HG GLN 41 2HG GLN 41 12.628 2.541 3.342 332 2HG GLN 41 1HG GLN 41 13.633 1.208 2.775 333 1HE2 GLN 41 2HE2 GLN 41 16.188 2.368 4.907 334 2HE2 GLN 41 1HE2 GLN 41 15.185 1.078 4.446 335 H GLU 42 H GLU 42 11.608 4.230 -1.146 336 HA GLU 42 HA GLU 42 13.196 6.734 -1.515 337 1HB GLU 42 2HB GLU 42 13.184 4.312 -3.326 338 2HB GLU 42 1HB GLU 42 13.768 5.896 -3.837 339 1HG GLU 42 2HG GLU 42 15.580 5.853 -2.366 340 2HG GLU 42 1HG GLU 42 14.808 4.684 -1.293 341 H VAL 43 H VAL 43 10.201 6.025 -1.266 342 HA VAL 43 HA VAL 43 9.383 7.755 -3.514 343 HB VAL 43 HB VAL 43 8.056 5.056 -3.128 344 1HG1 VAL 43 3HG1 VAL 43 6.747 7.086 -4.027 345 2HG1 VAL 43 2HG1 VAL 43 7.798 6.984 -5.441 346 3HG1 VAL 43 1HG1 VAL 43 6.746 5.631 -5.024 347 1HG2 VAL 43 3HG2 VAL 43 10.032 6.027 -5.217 348 2HG2 VAL 43 2HG2 VAL 43 10.274 4.709 -4.071 349 3HG2 VAL 43 1HG2 VAL 43 9.086 4.546 -5.362 350 H LEU 44 H LEU 44 8.368 5.949 -0.597 351 HA LEU 44 HA LEU 44 5.831 7.210 -0.310 352 1HB LEU 44 2HB LEU 44 6.825 5.200 0.985 353 2HB LEU 44 1HB LEU 44 7.510 6.415 2.061 354 HG LEU 44 HG LEU 44 5.182 7.390 2.274 355 1HD1 LEU 44 1HD1 LEU 44 4.634 4.953 0.610 356 2HD1 LEU 44 3HD1 LEU 44 3.425 5.487 1.779 357 3HD1 LEU 44 2HD1 LEU 44 3.938 6.568 0.483 358 1HD2 LEU 44 1HD2 LEU 44 6.419 5.488 3.730 359 2HD2 LEU 44 3HD2 LEU 44 4.798 6.065 4.114 360 3HD2 LEU 44 2HD2 LEU 44 5.008 4.566 3.209 361 HA PRO 45 HA PRO 45 7.885 10.491 2.402 362 1HB PRO 45 2HB PRO 45 10.596 10.857 2.280 363 2HB PRO 45 1HB PRO 45 9.800 9.837 3.491 364 1HG PRO 45 2HG PRO 45 11.361 9.032 1.089 365 2HG PRO 45 1HG PRO 45 11.103 8.158 2.608 366 1HD PRO 45 2HD PRO 45 9.779 7.654 0.168 367 2HD PRO 45 1HD PRO 45 9.310 7.039 1.762 368 H LYS 46 H LYS 46 8.822 9.775 -0.836 369 HA LYS 46 HA LYS 46 9.657 12.513 -1.482 370 1HB LYS 46 2HB LYS 46 9.713 9.898 -2.776 371 2HB LYS 46 1HB LYS 46 9.180 11.161 -3.884 372 1HG LYS 46 2HG LYS 46 11.214 12.189 -3.899 373 2HG LYS 46 1HG LYS 46 11.495 11.885 -2.185 374 1HD LYS 46 2HD LYS 46 11.923 9.470 -2.756 375 2HD LYS 46 1HD LYS 46 11.831 9.913 -4.461 376 1HE LYS 46 2HE LYS 46 13.659 11.470 -2.668 377 2HE LYS 46 1HE LYS 46 14.167 9.872 -3.217 378 1HZ LYS 46 2HZ LYS 46 13.503 10.707 -5.517 379 2HZ LYS 46 1HZ LYS 46 13.540 12.262 -4.832 380 3HZ LYS 46 3HZ LYS 46 14.943 11.310 -4.849 381 H TYR 47 H TYR 47 6.645 11.197 -0.903 382 HA TYR 47 HA TYR 47 5.405 13.167 -2.772 383 1HB TYR 47 2HB TYR 47 4.624 10.312 -2.236 384 2HB TYR 47 1HB TYR 47 3.409 11.490 -2.733 385 HD1 TYR 47 HD2 TYR 47 6.591 9.847 -3.715 386 HD2 TYR 47 HD1 TYR 47 3.334 12.354 -4.968 387 HE1 TYR 47 HE2 TYR 47 7.339 9.643 -6.070 388 HE2 TYR 47 HE1 TYR 47 4.085 12.150 -7.324 389 HH TYR 47 HH TYR 47 5.424 10.500 -8.688 390 H PHE 48 H PHE 48 5.012 11.333 0.268 391 HA PHE 48 HA PHE 48 2.978 13.310 1.128 392 1HB PHE 48 2HB PHE 48 3.824 10.604 2.133 393 2HB PHE 48 1HB PHE 48 2.928 11.697 3.189 394 HD1 PHE 48 HD1 PHE 48 0.913 12.963 1.836 395 HD2 PHE 48 HD2 PHE 48 2.520 9.079 0.945 396 HE1 PHE 48 HE1 PHE 48 -1.199 12.352 0.688 397 HE2 PHE 48 HE2 PHE 48 0.406 8.468 -0.202 398 HZ PHE 48 HZ PHE 48 -1.453 10.104 -0.329 399 H LYS 49 H LYS 49 4.975 11.907 3.654 400 HA LYS 49 HA LYS 49 7.072 13.769 3.816 401 1HB LYS 49 2HB LYS 49 6.090 15.293 5.642 402 2HB LYS 49 1HB LYS 49 5.598 15.615 3.989 403 1HG LYS 49 2HG LYS 49 3.594 14.010 4.560 404 2HG LYS 49 1HG LYS 49 4.010 14.407 6.225 405 1HD LYS 49 2HD LYS 49 3.565 16.513 4.102 406 2HD LYS 49 1HD LYS 49 2.274 15.920 5.148 407 1HE LYS 49 2HE LYS 49 4.848 16.861 6.375 408 2HE LYS 49 1HE LYS 49 3.650 18.046 5.861 409 1HZ LYS 49 2HZ LYS 49 2.763 15.756 7.467 410 2HZ LYS 49 1HZ LYS 49 3.579 17.027 8.247 411 3HZ LYS 49 3HZ LYS 49 2.144 17.337 7.400 412 H HIS 50 H HIS 50 4.545 12.505 6.014 413 HA HIS 50 HA HIS 50 6.703 11.084 7.503 414 1HB HIS 50 2HB HIS 50 4.464 12.698 8.760 415 2HB HIS 50 1HB HIS 50 5.638 11.721 9.639 416 HD1 HIS 50 HD1 HIS 50 5.184 15.014 9.499 417 HD2 HIS 50 HD2 HIS 50 8.362 12.760 8.016 418 HE1 HIS 50 HE1 HIS 50 7.160 16.590 9.325 419 H SER 51 H SER 51 4.535 10.253 5.561 420 HA SER 51 HA SER 51 2.704 8.699 7.286 421 1HB SER 51 2HB SER 51 2.194 9.875 4.958 422 2HB SER 51 1HB SER 51 2.801 8.353 4.314 423 HG SER 51 HG SER 51 0.923 7.566 4.801 424 H ASN 52 H ASN 52 2.392 6.300 6.399 425 HA ASN 52 HA ASN 52 5.068 5.088 5.867 426 1HB ASN 52 2HB ASN 52 3.293 4.678 8.217 427 2HB ASN 52 1HB ASN 52 4.014 3.227 7.521 428 1HD2 ASN 52 2HD2 ASN 52 7.302 4.013 8.598 429 2HD2 ASN 52 1HD2 ASN 52 6.340 2.983 7.651 430 H PHE 53 H PHE 53 4.789 2.707 5.270 431 HA PHE 53 HA PHE 53 3.096 2.423 3.024 432 1HB PHE 53 2HB PHE 53 3.627 -0.006 3.177 433 2HB PHE 53 1HB PHE 53 5.062 1.003 3.345 434 HD1 PHE 53 HD1 PHE 53 2.643 -1.140 5.132 435 HD2 PHE 53 HD2 PHE 53 6.250 1.166 5.463 436 HE1 PHE 53 HE1 PHE 53 3.101 -2.175 7.338 437 HE2 PHE 53 HE2 PHE 53 6.707 0.133 7.670 438 HZ PHE 53 HZ PHE 53 5.133 -1.538 8.608 439 H ALA 54 H ALA 54 2.562 1.539 6.406 440 HA ALA 54 HA ALA 54 0.192 0.000 6.061 441 1HB ALA 54 1HB ALA 54 1.044 1.776 8.368 442 2HB ALA 54 3HB ALA 54 -0.284 0.618 8.437 443 3HB ALA 54 2HB ALA 54 1.368 0.051 8.198 444 H SER 55 H SER 55 0.678 3.505 6.407 445 HA SER 55 HA SER 55 -2.120 4.178 6.520 446 1HB SER 55 2HB SER 55 0.415 5.591 6.402 447 2HB SER 55 1HB SER 55 -0.768 6.352 5.344 448 HG SER 55 HG SER 55 -0.970 5.786 8.114 449 H PHE 56 H PHE 56 0.188 3.785 3.861 450 HA PHE 56 HA PHE 56 -1.421 4.808 1.748 451 1HB PHE 56 2HB PHE 56 1.071 3.972 1.782 452 2HB PHE 56 1HB PHE 56 0.361 2.417 1.351 453 HD1 PHE 56 HD2 PHE 56 -1.370 2.450 -0.621 454 HD2 PHE 56 HD1 PHE 56 1.538 5.529 0.094 455 HE1 PHE 56 HE2 PHE 56 -1.574 3.189 -2.980 456 HE2 PHE 56 HE1 PHE 56 1.336 6.267 -2.266 457 HZ PHE 56 HZ PHE 56 -0.222 5.096 -3.802 458 H VAL 57 H VAL 57 -1.235 1.541 3.150 459 HA VAL 57 HA VAL 57 -3.071 0.314 1.315 460 HB VAL 57 HB VAL 57 -2.557 -0.491 4.192 461 1HG1 VAL 57 1HG1 VAL 57 -3.510 -1.956 1.718 462 2HG1 VAL 57 3HG1 VAL 57 -2.986 -2.777 3.188 463 3HG1 VAL 57 2HG1 VAL 57 -4.393 -1.713 3.225 464 1HG2 VAL 57 2HG2 VAL 57 -0.881 -0.659 1.729 465 2HG2 VAL 57 1HG2 VAL 57 -0.387 -0.536 3.417 466 3HG2 VAL 57 3HG2 VAL 57 -0.922 -2.085 2.766 467 H ARG 58 H ARG 58 -3.522 2.001 4.404 468 HA ARG 58 HA ARG 58 -6.264 1.326 4.803 469 1HB ARG 58 2HB ARG 58 -4.333 2.996 6.041 470 2HB ARG 58 1HB ARG 58 -5.720 4.025 5.693 471 1HG ARG 58 2HG ARG 58 -6.403 3.165 7.722 472 2HG ARG 58 1HG ARG 58 -7.051 1.916 6.660 473 1HD ARG 58 2HD ARG 58 -5.689 0.358 7.553 474 2HD ARG 58 1HD ARG 58 -4.269 1.371 7.295 475 HE ARG 58 HE ARG 58 -5.667 2.411 9.535 476 1HH1 ARG 58 1HH2 ARG 58 -2.814 1.036 8.976 477 2HH1 ARG 58 2HH2 ARG 58 -2.768 -0.010 10.356 478 1HH2 ARG 58 2HH1 ARG 58 -6.116 0.444 11.140 479 2HH2 ARG 58 1HH1 ARG 58 -4.639 -0.345 11.582 480 H GLN 59 H GLN 59 -4.828 4.179 3.176 481 HA GLN 59 HA GLN 59 -7.264 5.439 2.449 482 1HB GLN 59 2HB GLN 59 -4.497 5.463 1.264 483 2HB GLN 59 1HB GLN 59 -5.817 6.310 0.462 484 1HG GLN 59 2HG GLN 59 -4.738 7.902 1.904 485 2HG GLN 59 1HG GLN 59 -6.277 7.483 2.656 486 1HE2 GLN 59 2HE2 GLN 59 -2.821 6.690 4.602 487 2HE2 GLN 59 1HE2 GLN 59 -2.846 7.506 3.114 488 H LEU 60 H LEU 60 -5.312 3.079 0.603 489 HA LEU 60 HA LEU 60 -6.876 2.994 -1.744 490 1HB LEU 60 2HB LEU 60 -5.372 0.749 -0.369 491 2HB LEU 60 1HB LEU 60 -5.971 0.687 -2.027 492 HG LEU 60 HG LEU 60 -4.132 2.876 -1.042 493 1HD1 LEU 60 3HD1 LEU 60 -3.522 0.127 -2.103 494 2HD1 LEU 60 2HD1 LEU 60 -2.429 1.465 -2.454 495 3HD1 LEU 60 1HD1 LEU 60 -2.750 1.005 -0.782 496 1HD2 LEU 60 3HD2 LEU 60 -5.654 2.565 -3.379 497 2HD2 LEU 60 2HD2 LEU 60 -4.316 3.689 -3.144 498 3HD2 LEU 60 1HD2 LEU 60 -4.019 2.103 -3.857 499 H ASN 61 H ASN 61 -7.329 1.209 1.298 500 HA ASN 61 HA ASN 61 -9.540 -0.376 0.344 501 1HB ASN 61 2HB ASN 61 -8.033 -0.072 2.774 502 2HB ASN 61 1HB ASN 61 -9.749 -0.005 3.170 503 1HD2 ASN 61 2HD2 ASN 61 -8.107 -3.505 1.866 504 2HD2 ASN 61 1HD2 ASN 61 -7.195 -2.074 1.861 505 H MET 62 H MET 62 -9.281 2.856 1.681 506 HA MET 62 HA MET 62 -12.173 3.061 2.163 507 1HB MET 62 2HB MET 62 -9.823 4.903 2.501 508 2HB MET 62 1HB MET 62 -11.465 5.546 2.552 509 1HG MET 62 2HG MET 62 -12.006 3.794 4.290 510 2HG MET 62 1HG MET 62 -10.288 3.398 4.334 511 1HE MET 62 2HE MET 62 -8.584 4.519 4.951 512 2HE MET 62 1HE MET 62 -8.433 6.053 5.805 513 3HE MET 62 3HE MET 62 -9.007 4.613 6.660 514 H TYR 63 H TYR 63 -10.618 2.947 -0.688 515 HA TYR 63 HA TYR 63 -12.360 5.074 -1.863 516 1HB TYR 63 2HB TYR 63 -9.526 4.322 -2.511 517 2HB TYR 63 1HB TYR 63 -10.556 5.060 -3.739 518 HD1 TYR 63 HD2 TYR 63 -12.026 7.117 -2.760 519 HD2 TYR 63 HD1 TYR 63 -8.246 5.779 -1.233 520 HE1 TYR 63 HE2 TYR 63 -11.655 9.346 -1.737 521 HE2 TYR 63 HE1 TYR 63 -7.869 8.007 -0.208 522 HH TYR 63 HH TYR 63 -9.620 9.964 0.617 523 H GLY 64 H GLY 64 -11.684 1.730 -1.810 524 1HA GLY 64 2HA GLY 64 -13.597 0.557 -3.126 525 2HA GLY 64 1HA GLY 64 -12.874 1.360 -4.520 526 H TRP 65 H TRP 65 -10.128 1.016 -3.441 527 HA TRP 65 HA TRP 65 -9.488 -1.489 -4.671 528 1HB TRP 65 2HB TRP 65 -7.822 0.096 -2.688 529 2HB TRP 65 1HB TRP 65 -7.223 -1.120 -3.812 530 HD1 TRP 65 HD1 TRP 65 -8.538 2.457 -3.668 531 HE1 TRP 65 HE1 TRP 65 -8.042 3.626 -5.915 532 HE3 TRP 65 HE3 TRP 65 -6.822 -1.524 -6.374 533 HZ2 TRP 65 HZ2 TRP 65 -7.046 2.958 -8.510 534 HZ3 TRP 65 HZ3 TRP 65 -6.106 -1.227 -8.727 535 HH2 TRP 65 HH2 TRP 65 -6.215 1.006 -9.798 536 H HIS 66 H HIS 66 -8.575 -3.413 -3.574 537 HA HIS 66 HA HIS 66 -9.407 -3.713 -0.730 538 1HB HIS 66 2HB HIS 66 -10.258 -5.441 -3.057 539 2HB HIS 66 1HB HIS 66 -10.284 -6.032 -1.396 540 HD1 HIS 66 HD1 HIS 66 -11.701 -4.412 0.324 541 HD2 HIS 66 HD2 HIS 66 -12.530 -4.013 -3.742 542 HE1 HIS 66 HE1 HIS 66 -13.946 -3.252 0.161 543 H LYS 67 H LYS 67 -7.107 -3.666 -0.295 544 HA LYS 67 HA LYS 67 -5.195 -5.394 -1.520 545 1HB LYS 67 2HB LYS 67 -5.291 -3.565 0.720 546 2HB LYS 67 1HB LYS 67 -4.446 -5.035 1.200 547 1HG LYS 67 2HG LYS 67 -3.445 -4.491 -1.355 548 2HG LYS 67 1HG LYS 67 -3.578 -2.902 -0.603 549 1HD LYS 67 2HD LYS 67 -1.450 -3.593 0.084 550 2HD LYS 67 1HD LYS 67 -2.454 -4.069 1.455 551 1HE LYS 67 2HE LYS 67 -0.918 -5.894 0.765 552 2HE LYS 67 1HE LYS 67 -2.608 -6.355 0.578 553 1HZ LYS 67 2HZ LYS 67 -1.207 -5.113 -1.685 554 2HZ LYS 67 1HZ LYS 67 -0.924 -6.752 -1.342 555 3HZ LYS 67 3HZ LYS 67 -2.497 -6.220 -1.689 556 H VAL 68 H VAL 68 -5.356 -7.576 -1.559 557 HA VAL 68 HA VAL 68 -6.929 -9.081 0.353 558 HB VAL 68 HB VAL 68 -4.840 -10.102 -1.600 559 1HG1 VAL 68 2HG1 VAL 68 -5.686 -11.674 0.197 560 2HG1 VAL 68 1HG1 VAL 68 -7.301 -11.470 -0.479 561 3HG1 VAL 68 3HG1 VAL 68 -6.024 -12.199 -1.451 562 1HG2 VAL 68 2HG2 VAL 68 -6.562 -8.681 -2.698 563 2HG2 VAL 68 1HG2 VAL 68 -6.707 -10.375 -3.169 564 3HG2 VAL 68 3HG2 VAL 68 -7.821 -9.689 -1.986 565 H GLN 69 H GLN 69 -6.099 -10.586 1.931 566 HA GLN 69 HA GLN 69 -3.903 -9.611 3.483 567 1HB GLN 69 2HB GLN 69 -5.814 -11.826 3.600 568 2HB GLN 69 1HB GLN 69 -4.230 -12.286 4.223 569 1HG GLN 69 2HG GLN 69 -4.284 -10.679 5.919 570 2HG GLN 69 1HG GLN 69 -5.462 -9.679 5.070 571 1HE2 GLN 69 2HE2 GLN 69 -8.052 -11.100 6.971 572 2HE2 GLN 69 1HE2 GLN 69 -7.344 -9.705 6.313 573 H ASP 70 H ASP 70 -4.122 -12.728 1.722 574 HA ASP 70 HA ASP 70 -2.449 -14.018 0.702 575 1HB ASP 70 2HB ASP 70 -1.129 -11.302 0.406 576 2HB ASP 70 1HB ASP 70 -0.669 -12.765 -0.466 577 H VAL 71 H VAL 71 -2.011 -14.957 2.852 578 HA VAL 71 HA VAL 71 0.767 -14.945 3.516 579 HB VAL 71 HB VAL 71 0.229 -12.729 4.481 580 1HG1 VAL 71 2HG1 VAL 71 -2.211 -13.481 4.977 581 2HG1 VAL 71 1HG1 VAL 71 -1.545 -14.112 6.484 582 3HG1 VAL 71 3HG1 VAL 71 -1.423 -12.392 6.119 583 1HG2 VAL 71 2HG2 VAL 71 1.677 -14.708 5.644 584 2HG2 VAL 71 1HG2 VAL 71 1.542 -13.084 6.318 585 3HG2 VAL 71 3HG2 VAL 71 0.516 -14.381 6.929 586 H LYS 72 H LYS 72 0.933 -17.074 4.000 587 HA LYS 72 HA LYS 72 -0.742 -18.209 6.142 588 1HB LYS 72 2HB LYS 72 -1.743 -18.488 3.658 589 2HB LYS 72 1HB LYS 72 -0.648 -19.869 3.671 590 1HG LYS 72 2HG LYS 72 -2.460 -20.893 4.638 591 2HG LYS 72 1HG LYS 72 -1.766 -20.190 6.100 592 1HD LYS 72 2HD LYS 72 -3.998 -19.481 6.219 593 2HD LYS 72 1HD LYS 72 -3.198 -18.096 5.476 594 1HE LYS 72 2HE LYS 72 -4.668 -18.273 3.776 595 2HE LYS 72 1HE LYS 72 -3.861 -19.774 3.323 596 1HZ LYS 72 3HZ LYS 72 -6.012 -19.637 5.357 597 2HZ LYS 72 2HZ LYS 72 -6.305 -19.954 3.714 598 3HZ LYS 72 1HZ LYS 72 -5.357 -21.023 4.633 599 H SER 73 H SER 73 1.325 -19.488 3.503 600 HA SER 73 HA SER 73 2.701 -21.273 5.344 601 1HB SER 73 2HB SER 73 2.273 -21.567 2.787 602 2HB SER 73 1HB SER 73 3.714 -20.575 2.595 603 HG SER 73 HG SER 73 4.813 -22.299 3.029 604 H GLY 74 H GLY 74 4.075 -18.731 3.215 605 1HA GLY 74 2HA GLY 74 5.292 -16.943 4.749 606 2HA GLY 74 1HA GLY 74 6.248 -18.353 5.205 607 H SER 75 H SER 75 6.420 -19.660 2.729 608 HA SER 75 HA SER 75 8.257 -17.814 1.315 609 1HB SER 75 2HB SER 75 8.838 -20.061 0.104 610 2HB SER 75 1HB SER 75 9.383 -19.815 1.760 611 HG SER 75 HG SER 75 8.310 -21.857 1.355 612 H MET 76 H MET 76 7.015 -20.392 -0.670 613 HA MET 76 HA MET 76 5.696 -20.349 -2.589 614 1HB MET 76 2HB MET 76 4.265 -18.583 -0.661 615 2HB MET 76 1HB MET 76 3.765 -18.502 -2.352 616 1HG MET 76 2HG MET 76 2.952 -20.649 -2.361 617 2HG MET 76 1HG MET 76 4.168 -21.225 -1.222 618 1HE MET 76 2HE MET 76 1.805 -22.392 -1.094 619 2HE MET 76 1HE MET 76 2.283 -22.566 0.592 620 3HE MET 76 3HE MET 76 0.656 -22.007 0.183 621 H LEU 77 H LEU 77 6.842 -19.592 -4.311 622 HA LEU 77 HA LEU 77 8.128 -17.093 -4.552 623 1HB LEU 77 2HB LEU 77 8.126 -19.260 -6.100 624 2HB LEU 77 1HB LEU 77 6.944 -18.317 -7.009 625 HG LEU 77 HG LEU 77 9.500 -17.011 -6.135 626 1HD1 LEU 77 2HD1 LEU 77 9.842 -19.308 -7.371 627 2HD1 LEU 77 1HD1 LEU 77 9.330 -18.400 -8.793 628 3HD1 LEU 77 3HD1 LEU 77 10.757 -17.894 -7.891 629 1HD2 LEU 77 3HD2 LEU 77 7.432 -16.671 -8.301 630 2HD2 LEU 77 2HD2 LEU 77 8.004 -15.489 -7.124 631 3HD2 LEU 77 1HD2 LEU 77 9.034 -15.954 -8.476 632 H SER 78 H SER 78 4.859 -18.009 -5.679 633 HA SER 78 HA SER 78 4.236 -15.380 -6.707 634 1HB SER 78 2HB SER 78 3.066 -17.628 -7.238 635 2HB SER 78 1HB SER 78 2.182 -17.367 -5.738 636 HG SER 78 HG SER 78 1.304 -15.540 -6.571 637 H ASN 79 H ASN 79 4.001 -16.904 -3.554 638 HA ASN 79 HA ASN 79 2.694 -14.431 -2.496 639 1HB ASN 79 2HB ASN 79 1.611 -16.769 -2.181 640 2HB ASN 79 1HB ASN 79 2.894 -17.041 -1.002 641 1HD2 ASN 79 2HD2 ASN 79 -0.261 -14.740 0.007 642 2HD2 ASN 79 1HD2 ASN 79 -0.195 -15.596 -1.458 643 H ASN 80 H ASN 80 5.493 -14.494 -3.060 644 HA ASN 80 HA ASN 80 6.980 -15.069 -0.624 645 1HB ASN 80 2HB ASN 80 8.834 -13.877 -1.813 646 2HB ASN 80 1HB ASN 80 8.107 -15.152 -2.786 647 1HD2 ASN 80 2HD2 ASN 80 8.113 -12.493 -5.221 648 2HD2 ASN 80 1HD2 ASN 80 9.063 -13.769 -4.630 649 H ASP 81 H ASP 81 8.536 -12.839 -0.164 650 HA ASP 81 HA ASP 81 6.531 -10.972 0.984 651 1HB ASP 81 2HB ASP 81 8.484 -12.126 2.303 652 2HB ASP 81 1HB ASP 81 9.472 -10.852 1.584 653 H SER 82 H SER 82 6.974 -10.713 -1.807 654 HA SER 82 HA SER 82 7.774 -7.907 -1.893 655 1HB SER 82 2HB SER 82 9.808 -9.749 -2.327 656 2HB SER 82 1HB SER 82 9.294 -9.320 -3.955 657 HG SER 82 HG SER 82 10.925 -7.936 -2.886 658 H ARG 83 H ARG 83 5.450 -9.682 -2.538 659 HA ARG 83 HA ARG 83 5.032 -8.690 -5.317 660 1HB ARG 83 2HB ARG 83 4.934 -11.480 -4.346 661 2HB ARG 83 1HB ARG 83 3.516 -10.985 -5.269 662 1HG ARG 83 2HG ARG 83 6.328 -10.470 -6.253 663 2HG ARG 83 1HG ARG 83 5.465 -11.963 -6.619 664 1HD ARG 83 2HD ARG 83 3.542 -10.262 -7.329 665 2HD ARG 83 1HD ARG 83 4.913 -9.176 -7.556 666 HE ARG 83 HE ARG 83 5.018 -11.851 -8.849 667 1HH1 ARG 83 2HH1 ARG 83 6.966 -10.697 -10.188 668 2HH1 ARG 83 1HH1 ARG 83 6.305 -9.608 -11.362 669 1HH2 ARG 83 1HH2 ARG 83 3.181 -9.463 -9.855 670 2HH2 ARG 83 2HH2 ARG 83 4.158 -8.909 -11.174 671 H TRP 84 H TRP 84 4.030 -7.003 -3.792 672 HA TRP 84 HA TRP 84 1.535 -7.754 -2.457 673 1HB TRP 84 2HB TRP 84 2.773 -5.057 -3.071 674 2HB TRP 84 1HB TRP 84 1.291 -5.272 -2.149 675 HD1 TRP 84 HD1 TRP 84 4.868 -6.767 -2.013 676 HE1 TRP 84 HE1 TRP 84 5.589 -6.862 0.458 677 HE3 TRP 84 HE3 TRP 84 0.676 -4.883 0.204 678 HZ2 TRP 84 HZ2 TRP 84 4.526 -6.235 3.038 679 HZ3 TRP 84 HZ3 TRP 84 0.553 -4.644 2.668 680 HH2 TRP 84 HH2 TRP 84 2.473 -5.315 4.087 681 H GLU 85 H GLU 85 -0.207 -8.239 -3.709 682 HA GLU 85 HA GLU 85 -0.499 -6.943 -6.353 683 1HB GLU 85 2HB GLU 85 -1.218 -9.476 -5.260 684 2HB GLU 85 1HB GLU 85 -2.726 -8.654 -5.658 685 1HG GLU 85 2HG GLU 85 -2.101 -8.385 -7.938 686 2HG GLU 85 1HG GLU 85 -0.415 -8.780 -7.602 687 H PHE 86 H PHE 86 -2.061 -5.425 -6.789 688 HA PHE 86 HA PHE 86 -3.815 -4.590 -4.512 689 1HB PHE 86 2HB PHE 86 -2.588 -2.916 -6.723 690 2HB PHE 86 1HB PHE 86 -3.714 -2.306 -5.515 691 HD1 PHE 86 HD1 PHE 86 -0.499 -4.256 -5.700 692 HD2 PHE 86 HD2 PHE 86 -2.832 -1.322 -3.599 693 HE1 PHE 86 HE1 PHE 86 1.382 -3.883 -4.133 694 HE2 PHE 86 HE2 PHE 86 -0.942 -0.949 -2.036 695 HZ PHE 86 HZ PHE 86 1.161 -2.230 -2.301 696 H GLU 87 H GLU 87 -5.366 -6.187 -5.416 697 HA GLU 87 HA GLU 87 -6.608 -5.322 -7.985 698 1HB GLU 87 2HB GLU 87 -6.116 -7.898 -6.729 699 2HB GLU 87 1HB GLU 87 -7.827 -7.714 -7.114 700 1HG GLU 87 2HG GLU 87 -6.810 -6.777 -9.408 701 2HG GLU 87 1HG GLU 87 -5.472 -7.826 -8.943 702 H ASN 88 H ASN 88 -9.128 -5.982 -7.862 703 HA ASN 88 HA ASN 88 -10.206 -4.653 -5.408 704 1HB ASN 88 2HB ASN 88 -12.127 -4.542 -7.558 705 2HB ASN 88 1HB ASN 88 -11.365 -3.210 -6.702 706 1HD2 ASN 88 2HD2 ASN 88 -8.892 -2.667 -9.253 707 2HD2 ASN 88 1HD2 ASN 88 -9.181 -2.490 -7.589 708 H GLU 89 H GLU 89 -12.723 -5.270 -5.285 709 HA GLU 89 HA GLU 89 -12.866 -8.241 -5.621 710 1HB GLU 89 2HB GLU 89 -13.752 -6.433 -3.388 711 2HB GLU 89 1HB GLU 89 -14.575 -7.971 -3.652 712 1HG GLU 89 2HG GLU 89 -11.573 -7.688 -3.339 713 2HG GLU 89 1HG GLU 89 -12.664 -8.126 -2.026 714 H ARG 90 H ARG 90 -15.223 -5.634 -4.912 715 HA ARG 90 HA ARG 90 -16.559 -5.798 -7.445 716 1HB ARG 90 2HB ARG 90 -17.067 -8.020 -5.878 717 2HB ARG 90 1HB ARG 90 -18.428 -6.969 -5.492 718 1HG ARG 90 2HG ARG 90 -18.798 -6.665 -7.965 719 2HG ARG 90 1HG ARG 90 -17.564 -7.894 -8.244 720 1HD ARG 90 2HD ARG 90 -19.123 -9.187 -6.435 721 2HD ARG 90 1HD ARG 90 -20.337 -8.193 -7.240 722 HE ARG 90 HE ARG 90 -19.002 -9.276 -9.363 723 1HH1 ARG 90 2HH1 ARG 90 -21.454 -10.213 -7.369 724 2HH1 ARG 90 1HH1 ARG 90 -21.299 -11.917 -7.636 725 1HH2 ARG 90 1HH2 ARG 90 -18.281 -11.645 -9.322 726 2HH2 ARG 90 2HH2 ARG 90 -19.502 -12.727 -8.742 727 H HIS 91 H HIS 91 -17.694 -3.919 -7.613 728 HA HIS 91 HA HIS 91 -18.483 -2.545 -5.076 729 1HB HIS 91 2HB HIS 91 -17.753 -1.413 -7.792 730 2HB HIS 91 1HB HIS 91 -18.397 -0.447 -6.464 731 HD1 HIS 91 HD1 HIS 91 -16.796 -1.992 -4.188 732 HD2 HIS 91 HD2 HIS 91 -15.133 -0.362 -7.645 733 HE1 HIS 91 HE1 HIS 91 -14.343 -1.604 -3.689 734 H ALA 92 HN ALA 92 -20.636 -2.781 -4.737 735 HA ALA 92 HA ALA 92 -22.946 -2.832 -5.142 736 1HB ALA 92 2HB ALA 92 -21.852 -0.957 -7.171 737 2HB ALA 92 1HB ALA 92 -23.472 -1.581 -7.486 738 3HB ALA 92 3HB ALA 92 -23.137 -0.711 -5.988 No H/Q in entry = 738 Start of MODEL 26 Raw file had 756 H/Q atoms Start of MODEL 26 1 1H ALA 1 1H ALA 1 -14.477 15.650 -10.465 2 2H ALA 1 3H ALA 1 -15.172 17.160 -10.130 3 3H ALA 1 2H ALA 1 -13.710 16.718 -9.389 4 HA ALA 1 HA ALA 1 -15.435 16.482 -7.784 5 1HB ALA 1 3HB ALA 1 -16.754 14.921 -10.013 6 2HB ALA 1 2HB ALA 1 -17.263 14.766 -8.332 7 3HB ALA 1 1HB ALA 1 -17.383 16.324 -9.149 8 H ARG 2 H ARG 2 -12.905 15.434 -8.092 9 HA ARG 2 HA ARG 2 -13.277 12.568 -7.306 10 1HB ARG 2 2HB ARG 2 -10.801 13.783 -8.566 11 2HB ARG 2 1HB ARG 2 -11.096 12.076 -8.235 12 1HG ARG 2 2HG ARG 2 -12.818 11.956 -9.892 13 2HG ARG 2 1HG ARG 2 -12.862 13.711 -10.066 14 1HD ARG 2 2HD ARG 2 -10.692 13.755 -11.083 15 2HD ARG 2 1HD ARG 2 -10.396 12.067 -10.669 16 HE ARG 2 HE ARG 2 -12.710 12.111 -12.284 17 1HH1 ARG 2 1HH2 ARG 2 -9.529 11.327 -12.473 18 2HH1 ARG 2 2HH2 ARG 2 -9.313 11.713 -14.149 19 1HH2 ARG 2 2HH1 ARG 2 -12.377 13.307 -14.450 20 2HH2 ARG 2 1HH1 ARG 2 -10.926 12.833 -15.268 21 HA PRO 3 HA PRO 3 -11.234 13.728 -3.616 22 1HB PRO 3 2HB PRO 3 -9.911 11.439 -2.879 23 2HB PRO 3 1HB PRO 3 -11.664 11.645 -2.725 24 1HG PRO 3 2HG PRO 3 -10.129 10.050 -4.713 25 2HG PRO 3 1HG PRO 3 -11.776 9.808 -4.109 26 1HD PRO 3 2HD PRO 3 -11.079 10.944 -6.594 27 2HD PRO 3 1HD PRO 3 -12.678 11.012 -5.829 28 H ALA 4 H ALA 4 -9.303 14.731 -3.054 29 HA ALA 4 HA ALA 4 -7.221 15.032 -4.972 30 1HB ALA 4 3HB ALA 4 -7.905 16.375 -2.733 31 2HB ALA 4 2HB ALA 4 -6.539 15.451 -2.108 32 3HB ALA 4 1HB ALA 4 -6.319 16.528 -3.488 33 H PHE 5 H PHE 5 -7.660 12.685 -2.392 34 HA PHE 5 HA PHE 5 -4.928 11.797 -2.246 35 1HB PHE 5 2HB PHE 5 -6.732 11.257 -0.560 36 2HB PHE 5 1HB PHE 5 -7.387 10.106 -1.728 37 HD1 PHE 5 HD2 PHE 5 -4.388 10.962 0.291 38 HD2 PHE 5 HD1 PHE 5 -6.337 7.992 -2.122 39 HE1 PHE 5 HE2 PHE 5 -2.692 9.287 0.983 40 HE2 PHE 5 HE1 PHE 5 -4.640 6.319 -1.434 41 HZ PHE 5 HZ PHE 5 -2.818 6.967 0.118 42 H VAL 6 H VAL 6 -7.693 10.072 -3.787 43 HA VAL 6 HA VAL 6 -6.113 8.224 -5.231 44 HB VAL 6 HB VAL 6 -8.740 9.410 -6.170 45 1HG1 VAL 6 3HG1 VAL 6 -7.300 7.909 -7.717 46 2HG1 VAL 6 2HG1 VAL 6 -7.688 6.607 -6.595 47 3HG1 VAL 6 1HG1 VAL 6 -8.979 7.434 -7.464 48 1HG2 VAL 6 2HG2 VAL 6 -8.115 7.164 -4.228 49 2HG2 VAL 6 1HG2 VAL 6 -9.027 8.635 -3.893 50 3HG2 VAL 6 3HG2 VAL 6 -9.702 7.405 -4.958 51 H ASN 7 H ASN 7 -6.676 11.612 -5.846 52 HA ASN 7 HA ASN 7 -5.985 11.625 -8.642 53 1HB ASN 7 2HB ASN 7 -5.949 13.725 -6.469 54 2HB ASN 7 1HB ASN 7 -5.354 14.077 -8.091 55 1HD2 ASN 7 2HD2 ASN 7 -8.801 15.033 -8.525 56 2HD2 ASN 7 1HD2 ASN 7 -7.288 15.645 -8.062 57 H LYS 8 H LYS 8 -4.055 12.127 -5.665 58 HA LYS 8 HA LYS 8 -1.569 12.467 -7.100 59 1HB LYS 8 2HB LYS 8 -0.521 12.542 -4.988 60 2HB LYS 8 1HB LYS 8 -2.139 13.138 -4.641 61 1HG LYS 8 2HG LYS 8 -2.504 10.465 -4.249 62 2HG LYS 8 1HG LYS 8 -0.818 10.625 -3.778 63 1HD LYS 8 2HD LYS 8 -2.998 12.440 -2.720 64 2HD LYS 8 1HD LYS 8 -2.493 10.962 -1.899 65 1HE LYS 8 2HE LYS 8 -1.004 12.354 -0.870 66 2HE LYS 8 1HE LYS 8 -0.072 12.118 -2.348 67 1HZ LYS 8 1HZ LYS 8 -2.107 14.246 -2.166 68 2HZ LYS 8 3HZ LYS 8 -0.539 14.496 -1.570 69 3HZ LYS 8 2HZ LYS 8 -0.774 14.131 -3.213 70 H LEU 9 H LEU 9 -3.397 9.721 -5.996 71 HA LEU 9 HA LEU 9 -1.443 7.684 -5.965 72 1HB LEU 9 2HB LEU 9 -3.784 7.419 -5.201 73 2HB LEU 9 1HB LEU 9 -4.338 7.546 -6.866 74 HG LEU 9 HG LEU 9 -2.718 5.547 -7.306 75 1HD1 LEU 9 2HD1 LEU 9 -1.633 5.661 -5.082 76 2HD1 LEU 9 1HD1 LEU 9 -3.181 5.301 -4.318 77 3HD1 LEU 9 3HD1 LEU 9 -2.404 4.097 -5.346 78 1HD2 LEU 9 3HD2 LEU 9 -5.427 5.614 -6.053 79 2HD2 LEU 9 2HD2 LEU 9 -4.932 4.985 -7.623 80 3HD2 LEU 9 1HD2 LEU 9 -4.631 4.043 -6.163 81 H TRP 10 H TRP 10 -3.688 8.415 -8.650 82 HA TRP 10 HA TRP 10 -2.419 6.769 -10.573 83 1HB TRP 10 2HB TRP 10 -4.198 9.192 -10.786 84 2HB TRP 10 1HB TRP 10 -3.586 8.375 -12.225 85 HD1 TRP 10 HD1 TRP 10 -3.798 5.420 -11.579 86 HE1 TRP 10 HE1 TRP 10 -6.060 4.270 -11.118 87 HE3 TRP 10 HE3 TRP 10 -6.601 9.472 -10.251 88 HZ2 TRP 10 HZ2 TRP 10 -8.703 4.969 -10.306 89 HZ3 TRP 10 HZ3 TRP 10 -8.981 9.197 -9.633 90 HH2 TRP 10 HH2 TRP 10 -10.038 6.957 -9.661 91 H SER 11 H SER 11 -1.395 9.835 -9.324 92 HA SER 11 HA SER 11 0.175 10.579 -11.673 93 1HB SER 11 2HB SER 11 -0.703 12.286 -10.111 94 2HB SER 11 1HB SER 11 0.295 11.614 -8.825 95 HG SER 11 HG SER 11 1.178 12.729 -11.284 96 H MET 12 H MET 12 0.844 9.088 -8.513 97 HA MET 12 HA MET 12 3.714 8.979 -8.891 98 1HB MET 12 2HB MET 12 2.001 7.232 -7.107 99 2HB MET 12 1HB MET 12 3.725 7.549 -6.935 100 1HG MET 12 2HG MET 12 3.382 9.556 -5.926 101 2HG MET 12 1HG MET 12 2.070 9.987 -7.018 102 1HE MET 12 3HE MET 12 3.028 7.195 -4.778 103 2HE MET 12 2HE MET 12 1.838 7.106 -3.483 104 3HE MET 12 1HE MET 12 1.471 6.401 -5.055 105 H VAL 13 H VAL 13 1.095 6.600 -9.261 106 HA VAL 13 HA VAL 13 2.788 4.414 -9.990 107 HB VAL 13 HB VAL 13 0.058 4.555 -11.208 108 1HG1 VAL 13 1HG1 VAL 13 1.940 2.610 -10.963 109 2HG1 VAL 13 3HG1 VAL 13 0.988 2.308 -9.509 110 3HG1 VAL 13 2HG1 VAL 13 0.212 2.279 -11.092 111 1HG2 VAL 13 3HG2 VAL 13 0.616 4.906 -8.325 112 2HG2 VAL 13 2HG2 VAL 13 -0.871 5.204 -9.225 113 3HG2 VAL 13 1HG2 VAL 13 -0.481 3.572 -8.686 114 H ASN 14 H ASN 14 1.125 6.857 -11.977 115 HA ASN 14 HA ASN 14 2.386 5.753 -14.416 116 1HB ASN 14 2HB ASN 14 -0.041 6.885 -14.060 117 2HB ASN 14 1HB ASN 14 0.882 8.315 -14.523 118 1HD2 ASN 14 2HD2 ASN 14 -0.379 6.547 -17.618 119 2HD2 ASN 14 1HD2 ASN 14 -1.151 7.133 -16.224 120 H ASP 15 H ASP 15 4.169 6.883 -12.395 121 HA ASP 15 HA ASP 15 5.073 9.393 -13.719 122 1HB ASP 15 2HB ASP 15 4.723 8.926 -11.067 123 2HB ASP 15 1HB ASP 15 6.415 8.458 -11.240 124 H LYS 16 H LYS 16 7.070 9.463 -14.714 125 HA LYS 16 HA LYS 16 8.285 6.970 -15.506 126 1HB LYS 16 2HB LYS 16 8.389 9.669 -16.340 127 2HB LYS 16 1HB LYS 16 10.041 9.252 -15.890 128 1HG LYS 16 2HG LYS 16 9.784 8.667 -18.208 129 2HG LYS 16 1HG LYS 16 9.783 7.155 -17.299 130 1HD LYS 16 2HD LYS 16 7.243 7.313 -17.267 131 2HD LYS 16 1HD LYS 16 7.396 8.627 -18.434 132 1HE LYS 16 2HE LYS 16 8.986 6.787 -19.618 133 2HE LYS 16 1HE LYS 16 7.855 5.715 -18.794 134 1HZ LYS 16 3HZ LYS 16 7.049 7.978 -20.537 135 2HZ LYS 16 2HZ LYS 16 7.135 6.360 -21.047 136 3HZ LYS 16 1HZ LYS 16 6.026 6.816 -19.843 137 H SER 17 H SER 17 8.857 9.195 -12.873 138 HA SER 17 HA SER 17 11.562 8.412 -12.288 139 1HB SER 17 2HB SER 17 9.597 10.168 -11.176 140 2HB SER 17 1HB SER 17 10.202 9.144 -9.877 141 HG SER 17 HG SER 17 11.371 11.225 -10.753 142 H ASN 18 H ASN 18 8.429 7.016 -11.530 143 HA ASN 18 HA ASN 18 9.806 4.930 -9.881 144 1HB ASN 18 2HB ASN 18 6.825 5.440 -9.955 145 2HB ASN 18 1HB ASN 18 7.740 4.535 -8.753 146 1HD2 ASN 18 2HD2 ASN 18 6.987 8.231 -7.804 147 2HD2 ASN 18 1HD2 ASN 18 6.009 7.147 -8.668 148 H GLU 19 H GLU 19 9.557 5.079 -12.888 149 HA GLU 19 HA GLU 19 7.590 3.164 -13.748 150 1HB GLU 19 2HB GLU 19 8.869 4.830 -15.206 151 2HB GLU 19 1HB GLU 19 10.227 3.707 -15.127 152 1HG GLU 19 2HG GLU 19 7.652 2.432 -15.805 153 2HG GLU 19 1HG GLU 19 8.217 3.597 -17.003 154 H LYS 20 H LYS 20 10.809 2.844 -12.392 155 HA LYS 20 HA LYS 20 10.803 -0.071 -13.005 156 1HB LYS 20 2HB LYS 20 12.882 1.957 -12.534 157 2HB LYS 20 1HB LYS 20 13.164 0.453 -11.657 158 1HG LYS 20 2HG LYS 20 13.322 -0.815 -13.604 159 2HG LYS 20 1HG LYS 20 12.359 0.323 -14.544 160 1HD LYS 20 2HD LYS 20 14.949 1.311 -13.443 161 2HD LYS 20 1HD LYS 20 15.024 0.180 -14.794 162 1HE LYS 20 2HE LYS 20 13.025 1.960 -15.561 163 2HE LYS 20 1HE LYS 20 14.215 2.993 -14.772 164 1HZ LYS 20 2HZ LYS 20 15.928 1.870 -16.159 165 2HZ LYS 20 1HZ LYS 20 14.673 1.116 -17.020 166 3HZ LYS 20 3HZ LYS 20 14.818 2.806 -17.041 167 H PHE 21 H PHE 21 9.053 1.249 -10.954 168 HA PHE 21 HA PHE 21 9.893 -0.458 -8.658 169 1HB PHE 21 2HB PHE 21 9.099 2.457 -8.575 170 2HB PHE 21 1HB PHE 21 8.947 1.414 -7.162 171 HD1 PHE 21 HD1 PHE 21 11.254 -0.293 -7.191 172 HD2 PHE 21 HD2 PHE 21 10.963 3.838 -8.334 173 HE1 PHE 21 HE1 PHE 21 13.666 0.009 -6.710 174 HE2 PHE 21 HE2 PHE 21 13.378 4.141 -7.853 175 HZ PHE 21 HZ PHE 21 14.730 2.226 -7.041 176 H ILE 22 H ILE 22 7.209 1.805 -9.311 177 HA ILE 22 HA ILE 22 5.329 -0.471 -8.844 178 HB ILE 22 HB ILE 22 5.151 1.344 -7.182 179 1HG1 ILE 22 2HG1 ILE 22 2.788 1.458 -9.077 180 2HG1 ILE 22 1HG1 ILE 22 3.112 0.088 -8.013 181 1HG2 ILE 22 1HG2 ILE 22 5.514 3.005 -9.492 182 2HG2 ILE 22 3HG2 ILE 22 3.975 3.423 -8.741 183 3HG2 ILE 22 2HG2 ILE 22 5.462 3.478 -7.800 184 1HD1 ILE 22 2HD1 ILE 22 3.165 1.767 -6.090 185 2HD1 ILE 22 1HD1 ILE 22 2.500 2.944 -7.224 186 3HD1 ILE 22 3HD1 ILE 22 1.584 1.490 -6.822 187 H HIS 23 H HIS 23 3.917 -0.988 -10.490 188 HA HIS 23 HA HIS 23 3.572 0.941 -12.725 189 1HB HIS 23 2HB HIS 23 3.950 -0.931 -14.363 190 2HB HIS 23 1HB HIS 23 5.401 -0.455 -13.482 191 HD1 HIS 23 HD1 HIS 23 3.554 -3.384 -14.396 192 HD2 HIS 23 HD2 HIS 23 5.694 -2.236 -11.008 193 HE1 HIS 23 HE1 HIS 23 4.073 -5.511 -13.123 194 H TRP 24 H TRP 24 1.929 -0.153 -14.363 195 HA TRP 24 HA TRP 24 -0.418 -0.898 -12.737 196 1HB TRP 24 2HB TRP 24 -0.097 -0.274 -15.688 197 2HB TRP 24 1HB TRP 24 -1.636 -0.652 -14.915 198 HD1 TRP 24 HD1 TRP 24 1.288 1.751 -14.043 199 HE1 TRP 24 HE1 TRP 24 0.274 4.033 -13.407 200 HE3 TRP 24 HE3 TRP 24 -3.674 0.712 -14.650 201 HZ2 TRP 24 HZ2 TRP 24 -2.301 5.258 -13.186 202 HZ3 TRP 24 HZ3 TRP 24 -5.384 2.453 -14.220 203 HH2 TRP 24 HH2 TRP 24 -4.705 4.723 -13.489 204 H SER 25 H SER 25 -1.850 -2.691 -13.660 205 HA SER 25 HA SER 25 -0.156 -5.066 -14.138 206 1HB SER 25 2HB SER 25 -2.122 -6.355 -13.601 207 2HB SER 25 1HB SER 25 -2.026 -5.042 -12.431 208 HG SER 25 HG SER 25 -3.995 -5.613 -14.106 209 H THR 26 H THR 26 -1.587 -6.723 -15.652 210 HA THR 26 HA THR 26 -2.058 -5.235 -18.207 211 HB THR 26 HB THR 26 -1.103 -8.099 -17.980 212 HG1 THR 26 HG1 THR 26 0.453 -6.745 -17.075 213 1HG2 THR 26 2HG2 THR 26 -2.221 -7.141 -20.095 214 2HG2 THR 26 1HG2 THR 26 -0.768 -6.156 -20.264 215 3HG2 THR 26 3HG2 THR 26 -0.649 -7.916 -20.296 216 H SER 27 H SER 27 -4.013 -5.587 -19.170 217 HA SER 27 HA SER 27 -6.175 -6.419 -19.515 218 1HB SER 27 2HB SER 27 -4.776 -8.527 -19.948 219 2HB SER 27 1HB SER 27 -5.189 -9.009 -18.305 220 HG SER 27 HG SER 27 -7.059 -9.591 -19.040 221 H GLY 28 H GLY 28 -7.242 -5.152 -17.962 222 1HA GLY 28 2HA GLY 28 -8.973 -5.720 -16.178 223 2HA GLY 28 1HA GLY 28 -7.626 -6.422 -15.279 224 H GLU 29 H GLU 29 -7.856 -4.964 -13.524 225 HA GLU 29 HA GLU 29 -6.620 -2.326 -13.994 226 1HB GLU 29 2HB GLU 29 -9.478 -2.706 -13.471 227 2HB GLU 29 1HB GLU 29 -8.715 -1.678 -12.258 228 1HG GLU 29 2HG GLU 29 -8.431 -1.276 -15.251 229 2HG GLU 29 1HG GLU 29 -9.577 -0.400 -14.237 230 H SER 30 H SER 30 -4.880 -3.006 -12.701 231 HA SER 30 HA SER 30 -5.360 -2.933 -9.810 232 1HB SER 30 2HB SER 30 -3.891 -5.165 -9.720 233 2HB SER 30 1HB SER 30 -5.649 -5.221 -9.802 234 HG SER 30 HG SER 30 -4.834 -6.545 -11.399 235 H ILE 31 H ILE 31 -3.235 -2.989 -8.612 236 HA ILE 31 HA ILE 31 -1.108 -1.722 -10.286 237 HB ILE 31 HB ILE 31 -1.365 -1.682 -7.263 238 1HG1 ILE 31 2HG1 ILE 31 -2.276 0.435 -9.245 239 2HG1 ILE 31 1HG1 ILE 31 -3.366 -0.670 -8.408 240 1HG2 ILE 31 2HG2 ILE 31 0.383 -0.378 -9.310 241 2HG2 ILE 31 1HG2 ILE 31 -0.057 0.562 -7.885 242 3HG2 ILE 31 3HG2 ILE 31 0.792 -0.971 -7.701 243 1HD1 ILE 31 2HD1 ILE 31 -1.416 1.004 -6.842 244 2HD1 ILE 31 1HD1 ILE 31 -2.949 1.692 -7.380 245 3HD1 ILE 31 3HD1 ILE 31 -2.940 0.290 -6.311 246 H VAL 32 H VAL 32 1.192 -2.248 -9.543 247 HA VAL 32 HA VAL 32 1.405 -4.983 -8.379 248 HB VAL 32 HB VAL 32 2.883 -4.099 -10.871 249 1HG1 VAL 32 3HG1 VAL 32 4.026 -5.770 -9.410 250 2HG1 VAL 32 2HG1 VAL 32 2.609 -6.812 -9.539 251 3HG1 VAL 32 1HG1 VAL 32 3.569 -6.448 -10.973 252 1HG2 VAL 32 1HG2 VAL 32 0.434 -5.843 -10.492 253 2HG2 VAL 32 3HG2 VAL 32 0.567 -4.381 -11.469 254 3HG2 VAL 32 2HG2 VAL 32 1.404 -5.851 -11.964 255 H VAL 33 H VAL 33 2.953 -5.055 -6.839 256 HA VAL 33 HA VAL 33 5.131 -3.004 -6.917 257 HB VAL 33 HB VAL 33 3.724 -4.098 -4.459 258 1HG1 VAL 33 2HG1 VAL 33 6.217 -3.479 -4.299 259 2HG1 VAL 33 1HG1 VAL 33 5.709 -1.819 -4.610 260 3HG1 VAL 33 3HG1 VAL 33 5.131 -2.665 -3.174 261 1HG2 VAL 33 1HG2 VAL 33 2.380 -2.486 -5.826 262 2HG2 VAL 33 3HG2 VAL 33 2.800 -1.853 -4.234 263 3HG2 VAL 33 2HG2 VAL 33 3.686 -1.311 -5.660 264 HA PRO 34 HA PRO 34 7.044 -7.135 -7.023 265 1HB PRO 34 2HB PRO 34 9.509 -6.283 -7.874 266 2HB PRO 34 1HB PRO 34 8.174 -6.670 -8.973 267 1HG PRO 34 2HG PRO 34 9.246 -4.008 -8.182 268 2HG PRO 34 1HG PRO 34 8.404 -4.486 -9.666 269 1HD PRO 34 2HD PRO 34 7.260 -3.091 -7.497 270 2HD PRO 34 1HD PRO 34 6.373 -3.872 -8.820 271 H ASN 35 H ASN 35 8.428 -4.108 -5.766 272 HA ASN 35 HA ASN 35 9.359 -5.626 -3.377 273 1HB ASN 35 2HB ASN 35 10.996 -3.973 -5.245 274 2HB ASN 35 1HB ASN 35 11.341 -3.831 -3.522 275 1HD2 ASN 35 2HD2 ASN 35 12.538 -7.127 -5.513 276 2HD2 ASN 35 1HD2 ASN 35 11.847 -5.794 -6.303 277 H ARG 36 H ARG 36 7.718 -4.740 -2.089 278 HA ARG 36 HA ARG 36 7.102 -1.902 -2.097 279 1HB ARG 36 2HB ARG 36 5.545 -3.785 -1.375 280 2HB ARG 36 1HB ARG 36 6.492 -3.876 0.111 281 1HG ARG 36 2HG ARG 36 5.767 -1.814 0.867 282 2HG ARG 36 1HG ARG 36 5.501 -1.194 -0.762 283 1HD ARG 36 2HD ARG 36 3.337 -1.815 -0.710 284 2HD ARG 36 1HD ARG 36 3.764 -3.463 -0.248 285 HE ARG 36 HE ARG 36 3.084 -1.264 1.612 286 1HH1 ARG 36 2HH1 ARG 36 5.411 -3.482 2.006 287 2HH1 ARG 36 1HH1 ARG 36 4.611 -4.452 3.198 288 1HH2 ARG 36 1HH2 ARG 36 1.524 -2.937 2.741 289 2HH2 ARG 36 2HH2 ARG 36 2.409 -4.143 3.614 290 H GLU 37 H GLU 37 9.754 -3.602 -0.854 291 HA GLU 37 HA GLU 37 10.089 -1.991 1.570 292 1HB GLU 37 2HB GLU 37 10.907 -4.352 1.373 293 2HB GLU 37 1HB GLU 37 12.084 -3.803 0.181 294 1HG GLU 37 2HG GLU 37 13.265 -2.515 1.762 295 2HG GLU 37 1HG GLU 37 11.913 -2.504 2.896 296 H ARG 38 H ARG 38 11.554 -2.132 -1.680 297 HA ARG 38 HA ARG 38 13.306 0.152 -1.098 298 1HB ARG 38 2HB ARG 38 12.900 -1.739 -3.349 299 2HB ARG 38 1HB ARG 38 13.445 -0.122 -3.797 300 1HG ARG 38 2HG ARG 38 15.346 -0.288 -2.291 301 2HG ARG 38 1HG ARG 38 14.772 -1.838 -1.679 302 1HD ARG 38 2HD ARG 38 14.888 -2.106 -4.497 303 2HD ARG 38 1HD ARG 38 16.384 -1.306 -4.012 304 HE ARG 38 HE ARG 38 15.757 -3.579 -2.315 305 1HH1 ARG 38 1HH2 ARG 38 18.470 -2.595 -3.384 306 2HH1 ARG 38 2HH2 ARG 38 18.913 -3.924 -4.402 307 1HH2 ARG 38 2HH1 ARG 38 15.722 -5.282 -4.458 308 2HH2 ARG 38 1HH1 ARG 38 17.354 -5.448 -5.010 309 H PHE 39 H PHE 39 10.227 -0.448 -2.693 310 HA PHE 39 HA PHE 39 9.944 2.017 -4.087 311 1HB PHE 39 2HB PHE 39 8.355 0.319 -4.579 312 2HB PHE 39 1HB PHE 39 7.976 0.056 -2.882 313 HD1 PHE 39 HD1 PHE 39 7.528 2.396 -5.745 314 HD2 PHE 39 HD2 PHE 39 6.327 1.377 -1.748 315 HE1 PHE 39 HE1 PHE 39 5.631 3.987 -5.904 316 HE2 PHE 39 HE2 PHE 39 4.432 2.968 -1.911 317 HZ PHE 39 HZ PHE 39 4.083 4.271 -3.990 318 H VAL 40 H VAL 40 8.436 1.187 -0.951 319 HA VAL 40 HA VAL 40 7.651 3.784 -0.213 320 HB VAL 40 HB VAL 40 8.617 1.610 1.670 321 1HG1 VAL 40 1HG1 VAL 40 8.188 3.972 2.557 322 2HG1 VAL 40 3HG1 VAL 40 6.498 3.722 2.121 323 3HG1 VAL 40 2HG1 VAL 40 7.263 2.680 3.321 324 1HG2 VAL 40 1HG2 VAL 40 5.919 2.088 0.368 325 2HG2 VAL 40 3HG2 VAL 40 6.950 0.673 0.170 326 3HG2 VAL 40 2HG2 VAL 40 6.179 0.988 1.718 327 H GLN 41 H GLN 41 10.760 2.162 0.358 328 HA GLN 41 HA GLN 41 11.976 4.036 2.057 329 1HB GLN 41 2HB GLN 41 12.902 1.802 1.288 330 2HB GLN 41 1HB GLN 41 13.419 2.619 -0.188 331 1HG GLN 41 2HG GLN 41 14.689 4.253 1.201 332 2HG GLN 41 1HG GLN 41 14.239 3.341 2.640 333 1HE2 GLN 41 2HE2 GLN 41 17.472 2.174 0.668 334 2HE2 GLN 41 1HE2 GLN 41 16.789 3.725 0.586 335 H GLU 42 H GLU 42 11.823 4.131 -1.525 336 HA GLU 42 HA GLU 42 12.737 6.976 -1.324 337 1HB GLU 42 2HB GLU 42 13.371 5.065 -3.589 338 2HB GLU 42 1HB GLU 42 13.968 6.713 -3.400 339 1HG GLU 42 2HG GLU 42 15.278 6.125 -1.493 340 2HG GLU 42 1HG GLU 42 14.471 4.565 -1.333 341 H VAL 43 H VAL 43 9.970 6.145 -1.363 342 HA VAL 43 HA VAL 43 9.130 7.646 -3.755 343 HB VAL 43 HB VAL 43 8.014 4.864 -3.279 344 1HG1 VAL 43 3HG1 VAL 43 7.385 7.139 -5.111 345 2HG1 VAL 43 2HG1 VAL 43 7.260 5.504 -5.759 346 3HG1 VAL 43 1HG1 VAL 43 6.299 5.971 -4.356 347 1HG2 VAL 43 1HG2 VAL 43 9.972 5.918 -5.346 348 2HG2 VAL 43 3HG2 VAL 43 10.281 4.664 -4.146 349 3HG2 VAL 43 2HG2 VAL 43 9.157 4.359 -5.469 350 H LEU 44 H LEU 44 8.130 5.940 -0.769 351 HA LEU 44 HA LEU 44 5.524 7.174 -0.689 352 1HB LEU 44 2HB LEU 44 6.207 5.098 0.583 353 2HB LEU 44 1HB LEU 44 7.098 6.141 1.687 354 HG LEU 44 HG LEU 44 4.975 7.416 2.102 355 1HD1 LEU 44 3HD1 LEU 44 3.860 5.167 0.406 356 2HD1 LEU 44 2HD1 LEU 44 2.862 6.171 1.458 357 3HD1 LEU 44 1HD1 LEU 44 3.728 6.899 0.106 358 1HD2 LEU 44 2HD2 LEU 44 5.883 5.193 3.316 359 2HD2 LEU 44 1HD2 LEU 44 4.378 5.976 3.800 360 3HD2 LEU 44 3HD2 LEU 44 4.338 4.571 2.735 361 HA PRO 45 HA PRO 45 7.459 10.342 2.245 362 1HB PRO 45 2HB PRO 45 10.182 10.651 2.319 363 2HB PRO 45 1HB PRO 45 9.283 9.618 3.444 364 1HG PRO 45 2HG PRO 45 10.980 8.840 1.126 365 2HG PRO 45 1HG PRO 45 10.613 7.936 2.604 366 1HD PRO 45 2HD PRO 45 9.437 7.505 0.083 367 2HD PRO 45 1HD PRO 45 8.845 6.884 1.632 368 H LYS 46 H LYS 46 8.529 9.698 -0.956 369 HA LYS 46 HA LYS 46 9.664 12.287 -1.561 370 1HB LYS 46 2HB LYS 46 9.210 9.807 -2.932 371 2HB LYS 46 1HB LYS 46 8.539 11.108 -3.914 372 1HG LYS 46 2HG LYS 46 10.883 10.791 -4.505 373 2HG LYS 46 1HG LYS 46 10.699 12.342 -3.686 374 1HD LYS 46 2HD LYS 46 11.158 10.664 -1.564 375 2HD LYS 46 1HD LYS 46 12.144 9.915 -2.818 376 1HE LYS 46 2HE LYS 46 12.251 12.886 -2.283 377 2HE LYS 46 1HE LYS 46 13.266 11.746 -1.400 378 1HZ LYS 46 3HZ LYS 46 13.169 11.650 -4.339 379 2HZ LYS 46 2HZ LYS 46 14.138 12.810 -3.566 380 3HZ LYS 46 1HZ LYS 46 14.407 11.156 -3.290 381 H TYR 47 H TYR 47 6.407 11.101 -1.253 382 HA TYR 47 HA TYR 47 5.404 13.641 -2.474 383 1HB TYR 47 2HB TYR 47 4.073 10.932 -2.201 384 2HB TYR 47 1HB TYR 47 3.240 12.386 -2.750 385 HD1 TYR 47 HD2 TYR 47 5.878 9.926 -3.549 386 HD2 TYR 47 HD1 TYR 47 3.683 13.351 -4.932 387 HE1 TYR 47 HE2 TYR 47 6.749 9.560 -5.842 388 HE2 TYR 47 HE1 TYR 47 4.556 12.984 -7.225 389 HH TYR 47 HH TYR 47 5.459 10.794 -8.518 390 H PHE 48 H PHE 48 4.674 11.270 0.118 391 HA PHE 48 HA PHE 48 2.998 13.210 1.534 392 1HB PHE 48 2HB PHE 48 4.055 10.506 2.422 393 2HB PHE 48 1HB PHE 48 2.803 11.442 3.240 394 HD1 PHE 48 HD1 PHE 48 0.572 11.704 2.263 395 HD2 PHE 48 HD2 PHE 48 3.613 9.405 0.283 396 HE1 PHE 48 HE1 PHE 48 -1.144 10.722 0.768 397 HE2 PHE 48 HE2 PHE 48 1.895 8.422 -1.212 398 HZ PHE 48 HZ PHE 48 -0.484 9.080 -0.968 399 H LYS 49 H LYS 49 3.567 13.338 4.062 400 HA LYS 49 HA LYS 49 6.408 14.260 4.208 401 1HB LYS 49 2HB LYS 49 4.017 15.163 5.845 402 2HB LYS 49 1HB LYS 49 5.653 15.809 5.967 403 1HG LYS 49 2HG LYS 49 4.341 15.785 3.277 404 2HG LYS 49 1HG LYS 49 3.822 16.996 4.448 405 1HD LYS 49 2HD LYS 49 6.606 17.056 4.636 406 2HD LYS 49 1HD LYS 49 6.308 16.848 2.910 407 1HE LYS 49 2HE LYS 49 4.887 18.806 2.853 408 2HE LYS 49 1HE LYS 49 4.944 18.955 4.607 409 1HZ LYS 49 1HZ LYS 49 7.295 19.162 2.808 410 2HZ LYS 49 3HZ LYS 49 6.474 20.481 3.487 411 3HZ LYS 49 2HZ LYS 49 7.295 19.383 4.492 412 H HIS 50 H HIS 50 3.946 13.354 6.650 413 HA HIS 50 HA HIS 50 5.995 11.532 7.850 414 1HB HIS 50 2HB HIS 50 3.924 13.307 9.154 415 2HB HIS 50 1HB HIS 50 4.692 11.977 10.017 416 HD1 HIS 50 HD1 HIS 50 5.524 15.248 8.307 417 HD2 HIS 50 HD2 HIS 50 7.330 12.472 10.839 418 HE1 HIS 50 HE1 HIS 50 7.697 16.294 9.083 419 H SER 51 H SER 51 4.974 9.947 6.308 420 HA SER 51 HA SER 51 2.694 8.602 7.655 421 1HB SER 51 2HB SER 51 2.760 9.589 4.819 422 2HB SER 51 1HB SER 51 1.862 8.126 5.206 423 HG SER 51 HG SER 51 1.558 10.706 6.359 424 H ASN 52 H ASN 52 2.803 6.355 7.499 425 HA ASN 52 HA ASN 52 5.296 5.291 6.260 426 1HB ASN 52 2HB ASN 52 3.560 4.438 8.550 427 2HB ASN 52 1HB ASN 52 4.491 3.212 7.689 428 1HD2 ASN 52 2HD2 ASN 52 6.737 6.236 9.347 429 2HD2 ASN 52 1HD2 ASN 52 5.304 6.625 8.524 430 H PHE 53 H PHE 53 4.955 2.896 5.498 431 HA PHE 53 HA PHE 53 3.256 2.895 3.233 432 1HB PHE 53 2HB PHE 53 3.639 0.397 3.240 433 2HB PHE 53 1HB PHE 53 5.109 1.364 3.316 434 HD1 PHE 53 HD2 PHE 53 2.708 -0.608 5.371 435 HD2 PHE 53 HD1 PHE 53 6.580 1.239 5.174 436 HE1 PHE 53 HE2 PHE 53 3.354 -1.736 7.483 437 HE2 PHE 53 HE1 PHE 53 7.228 0.111 7.283 438 HZ PHE 53 HZ PHE 53 5.615 -1.376 8.440 439 H ALA 54 H ALA 54 2.659 1.856 6.539 440 HA ALA 54 HA ALA 54 0.242 0.401 6.056 441 1HB ALA 54 3HB ALA 54 1.636 0.482 8.209 442 2HB ALA 54 2HB ALA 54 0.825 2.010 8.550 443 3HB ALA 54 1HB ALA 54 -0.115 0.523 8.411 444 H SER 55 H SER 55 0.873 3.838 6.702 445 HA SER 55 HA SER 55 -1.881 4.635 6.874 446 1HB SER 55 2HB SER 55 0.212 6.490 5.796 447 2HB SER 55 1HB SER 55 -1.080 6.814 6.948 448 HG SER 55 HG SER 55 0.899 6.710 8.023 449 H PHE 56 H PHE 56 0.385 4.344 4.161 450 HA PHE 56 HA PHE 56 -1.228 5.594 2.165 451 1HB PHE 56 2HB PHE 56 1.168 4.991 1.861 452 2HB PHE 56 1HB PHE 56 0.721 3.288 1.842 453 HD1 PHE 56 HD2 PHE 56 -0.788 6.347 0.263 454 HD2 PHE 56 HD1 PHE 56 0.899 2.440 -0.323 455 HE1 PHE 56 HE2 PHE 56 -1.279 6.498 -2.163 456 HE2 PHE 56 HE1 PHE 56 0.409 2.593 -2.748 457 HZ PHE 56 HZ PHE 56 -0.680 4.622 -3.668 458 H VAL 57 H VAL 57 -0.900 2.128 2.974 459 HA VAL 57 HA VAL 57 -2.912 1.189 1.193 460 HB VAL 57 HB VAL 57 -2.110 -0.004 3.864 461 1HG1 VAL 57 2HG1 VAL 57 -3.703 -0.928 1.521 462 2HG1 VAL 57 1HG1 VAL 57 -2.611 -2.100 2.258 463 3HG1 VAL 57 3HG1 VAL 57 -3.872 -1.339 3.228 464 1HG2 VAL 57 3HG2 VAL 57 -0.378 0.576 1.840 465 2HG2 VAL 57 2HG2 VAL 57 -0.192 -0.811 2.912 466 3HG2 VAL 57 1HG2 VAL 57 -0.942 -1.014 1.329 467 H ARG 58 H ARG 58 -3.130 2.681 4.356 468 HA ARG 58 HA ARG 58 -5.790 1.828 5.015 469 1HB ARG 58 2HB ARG 58 -3.932 3.979 5.913 470 2HB ARG 58 1HB ARG 58 -5.644 4.197 6.277 471 1HG ARG 58 2HG ARG 58 -5.439 1.650 7.039 472 2HG ARG 58 1HG ARG 58 -3.750 2.101 7.259 473 1HD ARG 58 2HD ARG 58 -5.260 4.221 8.366 474 2HD ARG 58 1HD ARG 58 -6.024 2.735 8.927 475 HE ARG 58 HE ARG 58 -3.338 3.665 9.641 476 1HH1 ARG 58 1HH2 ARG 58 -2.385 1.141 9.116 477 2HH1 ARG 58 2HH2 ARG 58 -2.955 0.109 10.385 478 1HH2 ARG 58 2HH1 ARG 58 -5.443 2.294 11.408 479 2HH2 ARG 58 1HH1 ARG 58 -4.686 0.761 11.681 480 H GLN 59 H GLN 59 -4.591 4.838 3.492 481 HA GLN 59 HA GLN 59 -7.143 6.013 3.027 482 1HB GLN 59 2HB GLN 59 -4.456 6.297 1.690 483 2HB GLN 59 1HB GLN 59 -5.863 7.159 1.074 484 1HG GLN 59 2HG GLN 59 -4.832 7.324 3.921 485 2HG GLN 59 1HG GLN 59 -4.565 8.541 2.673 486 1HE2 GLN 59 2HE2 GLN 59 -8.051 9.572 2.668 487 2HE2 GLN 59 1HE2 GLN 59 -6.765 9.306 1.592 488 H LEU 60 H LEU 60 -5.216 3.771 1.070 489 HA LEU 60 HA LEU 60 -6.934 3.812 -1.231 490 1HB LEU 60 2HB LEU 60 -4.900 1.836 -0.192 491 2HB LEU 60 1HB LEU 60 -5.805 1.541 -1.670 492 HG LEU 60 HG LEU 60 -4.349 4.144 -1.251 493 1HD1 LEU 60 2HD1 LEU 60 -3.241 1.461 -1.995 494 2HD1 LEU 60 1HD1 LEU 60 -2.600 2.892 -2.799 495 3HD1 LEU 60 3HD1 LEU 60 -2.504 2.750 -1.043 496 1HD2 LEU 60 3HD2 LEU 60 -6.105 3.342 -3.170 497 2HD2 LEU 60 2HD2 LEU 60 -4.814 4.507 -3.463 498 3HD2 LEU 60 1HD2 LEU 60 -4.586 2.812 -3.893 499 H ASN 61 H ASN 61 -7.046 2.061 1.812 500 HA ASN 61 HA ASN 61 -8.995 0.095 0.925 501 1HB ASN 61 2HB ASN 61 -7.381 0.010 2.979 502 2HB ASN 61 1HB ASN 61 -8.652 0.920 3.798 503 1HD2 ASN 61 2HD2 ASN 61 -9.512 -2.909 2.546 504 2HD2 ASN 61 1HD2 ASN 61 -8.330 -2.018 1.716 505 H MET 62 H MET 62 -9.176 3.322 2.331 506 HA MET 62 HA MET 62 -12.035 3.113 2.915 507 1HB MET 62 2HB MET 62 -10.196 4.663 4.001 508 2HB MET 62 1HB MET 62 -10.616 5.742 2.669 509 1HG MET 62 2HG MET 62 -12.055 6.347 4.483 510 2HG MET 62 1HG MET 62 -13.053 5.429 3.355 511 1HE MET 62 3HE MET 62 -11.378 5.987 6.342 512 2HE MET 62 2HE MET 62 -12.703 5.455 7.376 513 3HE MET 62 1HE MET 62 -11.225 4.499 7.287 514 H TYR 63 H TYR 63 -10.107 4.042 0.156 515 HA TYR 63 HA TYR 63 -12.328 5.499 -1.112 516 1HB TYR 63 2HB TYR 63 -9.520 4.788 -1.963 517 2HB TYR 63 1HB TYR 63 -10.680 5.483 -3.097 518 HD1 TYR 63 HD2 TYR 63 -12.115 7.515 -1.901 519 HD2 TYR 63 HD1 TYR 63 -8.088 6.333 -0.977 520 HE1 TYR 63 HE2 TYR 63 -11.664 9.772 -0.978 521 HE2 TYR 63 HE1 TYR 63 -7.640 8.591 -0.052 522 HH TYR 63 HH TYR 63 -9.523 10.550 1.008 523 H GLY 64 H GLY 64 -10.628 2.392 -1.563 524 1HA GLY 64 2HA GLY 64 -12.540 0.639 -2.137 525 2HA GLY 64 1HA GLY 64 -12.639 1.613 -3.604 526 H TRP 65 H TRP 65 -9.949 0.269 -1.647 527 HA TRP 65 HA TRP 65 -8.985 -1.167 -4.066 528 1HB TRP 65 2HB TRP 65 -7.453 0.897 -2.481 529 2HB TRP 65 1HB TRP 65 -6.621 -0.362 -3.388 530 HD1 TRP 65 HD1 TRP 65 -8.344 2.929 -3.780 531 HE1 TRP 65 HE1 TRP 65 -8.380 3.610 -6.266 532 HE3 TRP 65 HE3 TRP 65 -6.832 -1.454 -5.928 533 HZ2 TRP 65 HZ2 TRP 65 -7.845 2.456 -8.822 534 HZ3 TRP 65 HZ3 TRP 65 -6.603 -1.632 -8.389 535 HH2 TRP 65 HH2 TRP 65 -7.107 0.316 -9.838 536 H HIS 66 H HIS 66 -7.839 -3.076 -3.548 537 HA HIS 66 HA HIS 66 -7.192 -3.618 -0.708 538 1HB HIS 66 2HB HIS 66 -9.035 -5.419 -2.309 539 2HB HIS 66 1HB HIS 66 -8.474 -5.704 -0.663 540 HD1 HIS 66 HD1 HIS 66 -10.612 -3.281 -2.651 541 HD2 HIS 66 HD2 HIS 66 -9.964 -4.401 1.311 542 HE1 HIS 66 HE1 HIS 66 -12.393 -2.117 -1.276 543 H LYS 67 H LYS 67 -6.298 -6.056 -0.674 544 HA LYS 67 HA LYS 67 -4.622 -6.439 -3.124 545 1HB LYS 67 2HB LYS 67 -2.806 -7.236 -1.598 546 2HB LYS 67 1HB LYS 67 -3.208 -5.537 -1.347 547 1HG LYS 67 2HG LYS 67 -4.751 -7.489 0.274 548 2HG LYS 67 1HG LYS 67 -3.042 -7.329 0.679 549 1HD LYS 67 2HD LYS 67 -3.257 -4.992 1.106 550 2HD LYS 67 1HD LYS 67 -4.853 -4.928 0.356 551 1HE LYS 67 2HE LYS 67 -5.521 -5.040 2.554 552 2HE LYS 67 1HE LYS 67 -5.365 -6.769 2.243 553 1HZ LYS 67 3HZ LYS 67 -2.915 -6.335 2.944 554 2HZ LYS 67 2HZ LYS 67 -3.571 -4.973 3.719 555 3HZ LYS 67 1HZ LYS 67 -4.115 -6.530 4.127 556 H VAL 68 H VAL 68 -7.047 -7.691 -2.829 557 HA VAL 68 HA VAL 68 -8.148 -9.734 -2.629 558 HB VAL 68 HB VAL 68 -6.674 -10.043 -4.621 559 1HG1 VAL 68 3HG1 VAL 68 -4.850 -11.274 -2.546 560 2HG1 VAL 68 2HG1 VAL 68 -4.743 -11.686 -4.257 561 3HG1 VAL 68 1HG1 VAL 68 -4.465 -10.026 -3.731 562 1HG2 VAL 68 2HG2 VAL 68 -8.280 -11.823 -3.392 563 2HG2 VAL 68 1HG2 VAL 68 -7.413 -12.196 -4.882 564 3HG2 VAL 68 3HG2 VAL 68 -6.762 -12.719 -3.328 565 H GLN 69 H GLN 69 -6.726 -8.865 -0.181 566 HA GLN 69 HA GLN 69 -6.229 -9.706 1.945 567 1HB GLN 69 2HB GLN 69 -7.885 -11.981 0.827 568 2HB GLN 69 1HB GLN 69 -7.414 -11.842 2.520 569 1HG GLN 69 2HG GLN 69 -8.441 -9.362 2.111 570 2HG GLN 69 1HG GLN 69 -9.426 -10.296 0.984 571 1HE2 GLN 69 2HE2 GLN 69 -10.573 -10.381 4.724 572 2HE2 GLN 69 1HE2 GLN 69 -9.788 -9.105 3.925 573 H ASP 70 H ASP 70 -4.046 -10.084 2.108 574 HA ASP 70 HA ASP 70 -2.657 -12.185 0.687 575 1HB ASP 70 2HB ASP 70 -1.991 -10.297 2.921 576 2HB ASP 70 1HB ASP 70 -0.939 -11.687 2.652 577 H VAL 71 H VAL 71 -3.561 -14.221 1.104 578 HA VAL 71 HA VAL 71 -3.902 -15.031 3.947 579 HB VAL 71 HB VAL 71 -4.775 -16.437 1.402 580 1HG1 VAL 71 1HG1 VAL 71 -5.039 -17.038 4.332 581 2HG1 VAL 71 3HG1 VAL 71 -6.344 -17.505 3.242 582 3HG1 VAL 71 2HG1 VAL 71 -4.718 -18.138 2.992 583 1HG2 VAL 71 1HG2 VAL 71 -5.886 -14.223 1.877 584 2HG2 VAL 71 3HG2 VAL 71 -6.990 -15.596 1.897 585 3HG2 VAL 71 2HG2 VAL 71 -6.434 -14.889 3.414 586 H LYS 72 H LYS 72 -3.057 -17.077 4.655 587 HA LYS 72 HA LYS 72 -0.695 -18.050 3.103 588 1HB LYS 72 2HB LYS 72 -0.454 -16.707 5.426 589 2HB LYS 72 1HB LYS 72 -0.768 -18.309 6.085 590 1HG LYS 72 2HG LYS 72 1.655 -17.905 5.841 591 2HG LYS 72 1HG LYS 72 1.136 -19.217 4.794 592 1HD LYS 72 2HD LYS 72 1.230 -17.844 2.852 593 2HD LYS 72 1HD LYS 72 1.316 -16.366 3.811 594 1HE LYS 72 2HE LYS 72 3.547 -16.791 4.474 595 2HE LYS 72 1HE LYS 72 3.448 -18.492 4.016 596 1HZ LYS 72 1HZ LYS 72 3.062 -17.618 1.679 597 2HZ LYS 72 3HZ LYS 72 3.618 -16.123 2.256 598 3HZ LYS 72 2HZ LYS 72 4.637 -17.482 2.304 599 H SER 73 H SER 73 -0.136 -20.404 4.028 600 HA SER 73 HA SER 73 -2.198 -22.175 3.380 601 1HB SER 73 2HB SER 73 -0.185 -22.924 5.483 602 2HB SER 73 1HB SER 73 -0.817 -23.897 4.159 603 HG SER 73 HG SER 73 1.373 -22.400 4.213 604 H GLY 74 H GLY 74 -1.159 -21.388 6.726 605 1HA GLY 74 2HA GLY 74 -3.734 -22.467 7.732 606 2HA GLY 74 1HA GLY 74 -2.351 -22.007 8.727 607 H SER 75 H SER 75 -1.884 -19.664 8.893 608 HA SER 75 HA SER 75 -3.842 -17.722 8.023 609 1HB SER 75 2HB SER 75 -3.933 -18.753 10.857 610 2HB SER 75 1HB SER 75 -4.449 -17.112 10.475 611 HG SER 75 HG SER 75 -6.120 -17.881 9.388 612 H MET 76 H MET 76 -2.563 -16.902 11.138 613 HA MET 76 HA MET 76 -0.892 -15.365 11.716 614 1HB MET 76 2HB MET 76 0.310 -17.518 10.153 615 2HB MET 76 1HB MET 76 1.233 -16.022 10.011 616 1HG MET 76 2HG MET 76 0.327 -17.161 12.667 617 2HG MET 76 1HG MET 76 1.904 -17.503 11.955 618 1HE MET 76 3HE MET 76 0.906 -16.431 14.553 619 2HE MET 76 2HE MET 76 1.806 -14.998 15.042 620 3HE MET 76 1HE MET 76 0.162 -14.831 14.429 621 H LEU 77 H LEU 77 -1.887 -13.454 10.892 622 HA LEU 77 HA LEU 77 -1.551 -12.668 8.102 623 1HB LEU 77 2HB LEU 77 -3.475 -11.945 9.579 624 2HB LEU 77 1HB LEU 77 -2.336 -10.917 10.449 625 HG LEU 77 HG LEU 77 -1.732 -10.047 8.036 626 1HD1 LEU 77 1HD1 LEU 77 -4.472 -11.287 7.711 627 2HD1 LEU 77 3HD1 LEU 77 -3.879 -10.005 6.655 628 3HD1 LEU 77 2HD1 LEU 77 -3.040 -11.555 6.718 629 1HD2 LEU 77 1HD2 LEU 77 -2.974 -8.913 10.043 630 2HD2 LEU 77 3HD2 LEU 77 -3.118 -8.194 8.440 631 3HD2 LEU 77 2HD2 LEU 77 -4.425 -9.192 9.080 632 H SER 78 H SER 78 0.652 -12.497 7.618 633 HA SER 78 HA SER 78 2.007 -10.091 8.468 634 1HB SER 78 2HB SER 78 4.008 -11.593 9.377 635 2HB SER 78 1HB SER 78 2.713 -11.056 10.445 636 HG SER 78 HG SER 78 3.404 -13.549 9.718 637 H ASN 79 H ASN 79 2.588 -13.398 7.224 638 HA ASN 79 HA ASN 79 3.714 -14.121 5.297 639 1HB ASN 79 2HB ASN 79 3.377 -11.263 4.339 640 2HB ASN 79 1HB ASN 79 3.623 -12.697 3.342 641 1HD2 ASN 79 2HD2 ASN 79 0.232 -13.910 4.439 642 2HD2 ASN 79 1HD2 ASN 79 1.813 -14.481 4.673 643 H ASN 80 H ASN 80 5.589 -12.764 3.662 644 HA ASN 80 HA ASN 80 7.604 -11.708 5.582 645 1HB ASN 80 2HB ASN 80 7.723 -14.304 4.882 646 2HB ASN 80 1HB ASN 80 8.579 -13.608 3.506 647 1HD2 ASN 80 2HD2 ASN 80 11.339 -14.050 5.795 648 2HD2 ASN 80 1HD2 ASN 80 10.454 -14.871 4.602 649 H ASP 81 H ASP 81 7.450 -12.620 2.115 650 HA ASP 81 HA ASP 81 8.812 -10.095 1.417 651 1HB ASP 81 2HB ASP 81 7.912 -12.460 -0.250 652 2HB ASP 81 1HB ASP 81 8.737 -11.048 -0.909 653 H SER 82 H SER 82 7.845 -9.039 -0.711 654 HA SER 82 HA SER 82 4.975 -8.507 -0.122 655 1HB SER 82 2HB SER 82 5.564 -6.501 -1.765 656 2HB SER 82 1HB SER 82 5.990 -6.433 -0.057 657 HG SER 82 HG SER 82 7.990 -6.359 -0.665 658 H ARG 83 H ARG 83 6.406 -7.749 -3.269 659 HA ARG 83 HA ARG 83 5.752 -8.427 -5.415 660 1HB ARG 83 2HB ARG 83 6.128 -10.896 -3.808 661 2HB ARG 83 1HB ARG 83 5.259 -11.090 -5.329 662 1HG ARG 83 2HG ARG 83 7.543 -9.369 -5.751 663 2HG ARG 83 1HG ARG 83 8.067 -10.851 -4.953 664 1HD ARG 83 2HD ARG 83 7.012 -12.211 -6.676 665 2HD ARG 83 1HD ARG 83 6.333 -10.773 -7.438 666 HE ARG 83 HE ARG 83 9.092 -10.333 -7.379 667 1HH1 ARG 83 2HH1 ARG 83 8.096 -13.429 -7.861 668 2HH1 ARG 83 1HH1 ARG 83 8.566 -13.544 -9.524 669 1HH2 ARG 83 1HH2 ARG 83 9.192 -10.148 -9.856 670 2HH2 ARG 83 2HH2 ARG 83 9.186 -11.685 -10.654 671 H TRP 84 H TRP 84 3.600 -7.649 -3.434 672 HA TRP 84 HA TRP 84 1.336 -9.320 -4.303 673 1HB TRP 84 2HB TRP 84 0.005 -8.103 -2.682 674 2HB TRP 84 1HB TRP 84 1.517 -8.582 -1.927 675 HD1 TRP 84 HD1 TRP 84 2.754 -5.937 -3.872 676 HE1 TRP 84 HE1 TRP 84 2.697 -3.652 -2.664 677 HE3 TRP 84 HE3 TRP 84 -0.540 -7.010 -0.130 678 HZ2 TRP 84 HZ2 TRP 84 1.415 -2.449 -0.405 679 HZ3 TRP 84 HZ3 TRP 84 -1.165 -5.283 1.533 680 HH2 TRP 84 HH2 TRP 84 -0.193 -3.007 1.402 681 H GLU 85 H GLU 85 -0.724 -7.460 -4.401 682 HA GLU 85 HA GLU 85 -0.031 -5.429 -6.426 683 1HB GLU 85 2HB GLU 85 -1.782 -6.318 -7.996 684 2HB GLU 85 1HB GLU 85 -0.389 -7.387 -7.831 685 1HG GLU 85 2HG GLU 85 -1.750 -8.554 -5.966 686 2HG GLU 85 1HG GLU 85 -3.141 -7.692 -6.626 687 H PHE 86 H PHE 86 -2.442 -4.533 -7.183 688 HA PHE 86 HA PHE 86 -4.066 -4.305 -4.689 689 1HB PHE 86 2HB PHE 86 -3.091 -2.097 -6.504 690 2HB PHE 86 1HB PHE 86 -4.509 -1.885 -5.488 691 HD1 PHE 86 HD1 PHE 86 -3.812 -3.308 -3.038 692 HD2 PHE 86 HD2 PHE 86 -1.353 -0.823 -5.519 693 HE1 PHE 86 HE1 PHE 86 -2.367 -2.804 -1.090 694 HE2 PHE 86 HE2 PHE 86 0.099 -0.320 -3.575 695 HZ PHE 86 HZ PHE 86 -0.409 -1.309 -1.359 696 H GLU 87 H GLU 87 -5.769 -5.580 -5.355 697 HA GLU 87 HA GLU 87 -7.031 -4.938 -7.980 698 1HB GLU 87 2HB GLU 87 -6.365 -7.381 -6.887 699 2HB GLU 87 1HB GLU 87 -8.070 -7.245 -6.458 700 1HG GLU 87 2HG GLU 87 -8.261 -6.442 -8.999 701 2HG GLU 87 1HG GLU 87 -6.799 -7.417 -9.156 702 H ASN 88 H ASN 88 -9.291 -4.483 -8.044 703 HA ASN 88 HA ASN 88 -10.493 -3.777 -5.392 704 1HB ASN 88 2HB ASN 88 -11.751 -2.006 -6.651 705 2HB ASN 88 1HB ASN 88 -10.005 -1.752 -6.650 706 1HD2 ASN 88 2HD2 ASN 88 -11.936 -2.453 -10.158 707 2HD2 ASN 88 1HD2 ASN 88 -12.775 -2.456 -8.683 708 H GLU 89 H GLU 89 -13.022 -3.615 -5.678 709 HA GLU 89 HA GLU 89 -14.042 -5.654 -7.577 710 1HB GLU 89 2HB GLU 89 -15.354 -6.706 -5.669 711 2HB GLU 89 1HB GLU 89 -13.619 -7.018 -5.648 712 1HG GLU 89 2HG GLU 89 -13.248 -5.601 -3.838 713 2HG GLU 89 1HG GLU 89 -14.687 -4.634 -4.166 714 H ARG 90 H ARG 90 -14.907 -3.584 -8.468 715 HA ARG 90 HA ARG 90 -17.440 -2.833 -7.068 716 1HB ARG 90 2HB ARG 90 -15.383 -1.113 -7.178 717 2HB ARG 90 1HB ARG 90 -16.078 -0.793 -8.767 718 1HG ARG 90 2HG ARG 90 -18.277 -0.914 -6.995 719 2HG ARG 90 1HG ARG 90 -17.044 0.018 -6.151 720 1HD ARG 90 2HD ARG 90 -17.278 0.766 -8.975 721 2HD ARG 90 1HD ARG 90 -18.776 1.006 -8.077 722 HE ARG 90 HE ARG 90 -17.342 2.340 -6.432 723 1HH1 ARG 90 2HH1 ARG 90 -14.820 2.769 -6.785 724 2HH1 ARG 90 1HH1 ARG 90 -14.554 3.768 -8.175 725 1HH2 ARG 90 1HH2 ARG 90 -17.715 3.219 -9.500 726 2HH2 ARG 90 2HH2 ARG 90 -16.195 4.023 -9.715 727 H HIS 91 H HIS 91 -16.917 -4.781 -9.204 728 HA HIS 91 HA HIS 91 -18.248 -3.476 -11.535 729 1HB HIS 91 2HB HIS 91 -17.599 -5.593 -12.739 730 2HB HIS 91 1HB HIS 91 -16.222 -4.666 -12.144 731 HD1 HIS 91 HD1 HIS 91 -18.285 -7.734 -11.320 732 HD2 HIS 91 HD2 HIS 91 -14.663 -5.987 -10.217 733 HE1 HIS 91 HE1 HIS 91 -17.093 -9.422 -9.858 734 H ALA 92 HN ALA 92 -20.181 -4.408 -12.384 735 HA ALA 92 HA ALA 92 -21.419 -6.629 -10.860 736 1HB ALA 92 2HB ALA 92 -22.596 -3.852 -11.130 737 2HB ALA 92 1HB ALA 92 -23.563 -5.267 -10.710 738 3HB ALA 92 3HB ALA 92 -22.261 -4.739 -9.643 No H/Q in entry = 738 Start of MODEL 27 Raw file had 756 H/Q atoms Start of MODEL 27 1 1H ALA 1 3H ALA 1 -16.474 11.399 -7.293 2 2H ALA 1 2H ALA 1 -17.989 11.465 -6.525 3 3H ALA 1 1H ALA 1 -17.403 12.817 -7.372 4 HA ALA 1 HA ALA 1 -17.134 13.218 -5.043 5 1HB ALA 1 3HB ALA 1 -16.007 10.444 -5.169 6 2HB ALA 1 2HB ALA 1 -15.379 11.556 -3.953 7 3HB ALA 1 1HB ALA 1 -17.095 11.153 -3.977 8 H ARG 2 H ARG 2 -14.513 11.570 -6.849 9 HA ARG 2 HA ARG 2 -12.396 12.335 -7.496 10 1HB ARG 2 2HB ARG 2 -13.869 14.983 -7.381 11 2HB ARG 2 1HB ARG 2 -12.257 14.774 -8.064 12 1HG ARG 2 2HG ARG 2 -13.044 13.425 -9.828 13 2HG ARG 2 1HG ARG 2 -14.559 13.067 -8.997 14 1HD ARG 2 2HD ARG 2 -15.116 14.659 -10.684 15 2HD ARG 2 1HD ARG 2 -15.082 15.563 -9.171 16 HE ARG 2 HE ARG 2 -12.498 15.636 -10.444 17 1HH1 ARG 2 1HH2 ARG 2 -14.913 16.301 -12.393 18 2HH1 ARG 2 2HH2 ARG 2 -14.819 18.030 -12.357 19 1HH2 ARG 2 2HH1 ARG 2 -12.705 18.123 -9.610 20 2HH2 ARG 2 1HH1 ARG 2 -13.568 19.061 -10.782 21 HA PRO 3 HA PRO 3 -11.572 13.684 -3.153 22 1HB PRO 3 2HB PRO 3 -10.260 11.444 -2.267 23 2HB PRO 3 1HB PRO 3 -12.006 11.694 -2.091 24 1HG PRO 3 2HG PRO 3 -10.543 9.912 -3.975 25 2HG PRO 3 1HG PRO 3 -12.184 9.756 -3.323 26 1HD PRO 3 2HD PRO 3 -11.514 10.678 -5.906 27 2HD PRO 3 1HD PRO 3 -13.096 10.832 -5.120 28 H ALA 4 H ALA 4 -9.562 14.491 -2.474 29 HA ALA 4 HA ALA 4 -7.531 14.837 -4.448 30 1HB ALA 4 1HB ALA 4 -7.464 15.250 -1.448 31 2HB ALA 4 3HB ALA 4 -6.194 15.783 -2.548 32 3HB ALA 4 2HB ALA 4 -7.816 16.466 -2.675 33 H PHE 5 H PHE 5 -8.095 12.218 -2.253 34 HA PHE 5 HA PHE 5 -5.344 11.350 -2.000 35 1HB PHE 5 2HB PHE 5 -7.230 10.659 -0.469 36 2HB PHE 5 1HB PHE 5 -7.829 9.636 -1.777 37 HD1 PHE 5 HD2 PHE 5 -4.900 10.270 0.431 38 HD2 PHE 5 HD1 PHE 5 -6.814 7.541 -2.278 39 HE1 PHE 5 HE2 PHE 5 -3.269 8.508 1.055 40 HE2 PHE 5 HE1 PHE 5 -5.184 5.780 -1.655 41 HZ PHE 5 HZ PHE 5 -3.412 6.263 0.010 42 H VAL 6 H VAL 6 -8.038 10.398 -4.145 43 HA VAL 6 HA VAL 6 -6.456 8.436 -5.577 44 HB VAL 6 HB VAL 6 -8.968 9.881 -6.477 45 1HG1 VAL 6 3HG1 VAL 6 -7.238 7.945 -7.749 46 2HG1 VAL 6 2HG1 VAL 6 -8.815 7.216 -7.451 47 3HG1 VAL 6 1HG1 VAL 6 -8.696 8.707 -8.383 48 1HG2 VAL 6 3HG2 VAL 6 -9.038 8.625 -4.238 49 2HG2 VAL 6 2HG2 VAL 6 -10.215 8.124 -5.451 50 3HG2 VAL 6 1HG2 VAL 6 -8.767 7.157 -5.177 51 H ASN 7 H ASN 7 -7.069 11.883 -5.909 52 HA ASN 7 HA ASN 7 -6.036 12.195 -8.571 53 1HB ASN 7 2HB ASN 7 -6.260 14.082 -6.217 54 2HB ASN 7 1HB ASN 7 -5.607 14.592 -7.773 55 1HD2 ASN 7 2HD2 ASN 7 -8.770 14.788 -9.329 56 2HD2 ASN 7 1HD2 ASN 7 -7.091 14.973 -9.490 57 H LYS 8 H LYS 8 -4.506 12.291 -5.362 58 HA LYS 8 HA LYS 8 -1.868 12.899 -6.437 59 1HB LYS 8 2HB LYS 8 -1.081 12.440 -4.126 60 2HB LYS 8 1HB LYS 8 -2.444 13.557 -4.143 61 1HG LYS 8 2HG LYS 8 -3.980 11.775 -3.540 62 2HG LYS 8 1HG LYS 8 -2.706 10.570 -3.687 63 1HD LYS 8 2HD LYS 8 -3.047 11.119 -1.328 64 2HD LYS 8 1HD LYS 8 -1.468 11.707 -1.846 65 1HE LYS 8 2HE LYS 8 -3.818 13.551 -2.076 66 2HE LYS 8 1HE LYS 8 -3.122 13.277 -0.480 67 1HZ LYS 8 3HZ LYS 8 -1.077 13.734 -2.407 68 2HZ LYS 8 2HZ LYS 8 -2.202 15.005 -2.421 69 3HZ LYS 8 1HZ LYS 8 -1.416 14.582 -0.977 70 H LEU 9 H LEU 9 -3.718 10.001 -5.888 71 HA LEU 9 HA LEU 9 -1.513 8.154 -5.738 72 1HB LEU 9 2HB LEU 9 -3.883 7.660 -5.039 73 2HB LEU 9 1HB LEU 9 -4.319 7.612 -6.747 74 HG LEU 9 HG LEU 9 -2.469 5.876 -7.030 75 1HD1 LEU 9 2HD1 LEU 9 -1.735 6.608 -4.523 76 2HD1 LEU 9 1HD1 LEU 9 -2.741 5.209 -4.152 77 3HD1 LEU 9 3HD1 LEU 9 -1.352 5.037 -5.225 78 1HD2 LEU 9 2HD2 LEU 9 -5.040 5.505 -6.714 79 2HD2 LEU 9 1HD2 LEU 9 -3.959 4.121 -6.563 80 3HD2 LEU 9 3HD2 LEU 9 -4.586 4.911 -5.117 81 H TRP 10 H TRP 10 -3.183 9.712 -8.399 82 HA TRP 10 HA TRP 10 -2.188 7.881 -10.431 83 1HB TRP 10 2HB TRP 10 -3.369 10.661 -10.655 84 2HB TRP 10 1HB TRP 10 -3.007 9.615 -12.027 85 HD1 TRP 10 HD1 TRP 10 -5.875 10.627 -10.299 86 HE1 TRP 10 HE1 TRP 10 -7.705 8.817 -10.187 87 HE3 TRP 10 HE3 TRP 10 -3.112 6.488 -11.478 88 HZ2 TRP 10 HZ2 TRP 10 -7.968 5.997 -10.547 89 HZ3 TRP 10 HZ3 TRP 10 -4.181 4.257 -11.582 90 HH2 TRP 10 HH2 TRP 10 -6.603 4.006 -11.120 91 H SER 11 H SER 11 -0.600 10.246 -8.613 92 HA SER 11 HA SER 11 1.232 10.957 -10.841 93 1HB SER 11 2HB SER 11 1.911 12.797 -9.579 94 2HB SER 11 1HB SER 11 0.230 12.636 -9.082 95 HG SER 11 HG SER 11 1.161 11.245 -7.343 96 H MET 12 H MET 12 1.068 9.046 -7.919 97 HA MET 12 HA MET 12 3.985 8.585 -7.899 98 1HB MET 12 2HB MET 12 3.539 7.172 -5.927 99 2HB MET 12 1HB MET 12 2.797 8.759 -5.739 100 1HG MET 12 2HG MET 12 0.625 7.804 -6.494 101 2HG MET 12 1HG MET 12 1.383 6.217 -6.604 102 1HE MET 12 3HE MET 12 2.408 4.945 -4.746 103 2HE MET 12 2HE MET 12 3.405 6.266 -4.144 104 3HE MET 12 1HE MET 12 2.388 5.359 -3.027 105 H VAL 13 H VAL 13 1.009 6.898 -8.809 106 HA VAL 13 HA VAL 13 2.544 4.464 -9.506 107 HB VAL 13 HB VAL 13 -0.387 4.912 -10.085 108 1HG1 VAL 13 2HG1 VAL 13 1.314 2.478 -9.463 109 2HG1 VAL 13 1HG1 VAL 13 -0.430 2.446 -9.726 110 3HG1 VAL 13 3HG1 VAL 13 0.652 2.909 -11.038 111 1HG2 VAL 13 2HG2 VAL 13 0.905 4.074 -7.468 112 2HG2 VAL 13 1HG2 VAL 13 -0.133 5.472 -7.733 113 3HG2 VAL 13 3HG2 VAL 13 -0.804 3.846 -7.837 114 H ASN 14 H ASN 14 2.259 7.353 -10.999 115 HA ASN 14 HA ASN 14 1.347 6.736 -13.634 116 1HB ASN 14 2HB ASN 14 1.746 9.045 -12.694 117 2HB ASN 14 1HB ASN 14 3.475 8.760 -12.893 118 1HD2 ASN 14 2HD2 ASN 14 1.145 9.183 -16.260 119 2HD2 ASN 14 1HD2 ASN 14 0.419 8.686 -14.809 120 H ASP 15 H ASP 15 4.229 5.780 -11.989 121 HA ASP 15 HA ASP 15 6.054 4.503 -12.710 122 1HB ASP 15 2HB ASP 15 4.172 3.320 -14.001 123 2HB ASP 15 1HB ASP 15 4.673 4.279 -15.393 124 H LYS 16 H LYS 16 5.966 7.414 -13.064 125 HA LYS 16 HA LYS 16 7.422 7.880 -15.594 126 1HB LYS 16 2HB LYS 16 5.841 9.477 -13.792 127 2HB LYS 16 1HB LYS 16 7.436 10.211 -13.942 128 1HG LYS 16 2HG LYS 16 6.356 9.289 -16.515 129 2HG LYS 16 1HG LYS 16 5.348 10.511 -15.745 130 1HD LYS 16 2HD LYS 16 6.831 11.893 -16.853 131 2HD LYS 16 1HD LYS 16 7.712 11.682 -15.339 132 1HE LYS 16 2HE LYS 16 9.357 11.189 -16.928 133 2HE LYS 16 1HE LYS 16 8.736 9.586 -16.533 134 1HZ LYS 16 3HZ LYS 16 7.099 10.081 -18.454 135 2HZ LYS 16 2HZ LYS 16 8.266 11.221 -18.931 136 3HZ LYS 16 1HZ LYS 16 8.678 9.577 -18.815 137 H SER 17 H SER 17 8.154 9.208 -12.370 138 HA SER 17 HA SER 17 11.021 8.947 -12.855 139 1HB SER 17 2HB SER 17 11.268 9.975 -10.660 140 2HB SER 17 1HB SER 17 10.004 10.827 -11.543 141 HG SER 17 HG SER 17 8.851 10.370 -9.842 142 H ASN 18 H ASN 18 8.551 7.207 -11.070 143 HA ASN 18 HA ASN 18 10.595 5.352 -9.953 144 1HB ASN 18 2HB ASN 18 8.589 4.383 -8.727 145 2HB ASN 18 1HB ASN 18 8.977 6.051 -8.307 146 1HD2 ASN 18 2HD2 ASN 18 5.862 7.284 -9.393 147 2HD2 ASN 18 1HD2 ASN 18 7.310 7.576 -8.561 148 H GLU 19 H GLU 19 10.124 5.362 -12.769 149 HA GLU 19 HA GLU 19 8.265 3.362 -13.601 150 1HB GLU 19 2HB GLU 19 9.556 3.328 -15.706 151 2HB GLU 19 1HB GLU 19 9.271 4.980 -15.166 152 1HG GLU 19 2HG GLU 19 11.554 4.914 -14.066 153 2HG GLU 19 1HG GLU 19 11.825 3.376 -14.885 154 H LYS 20 H LYS 20 11.452 3.135 -12.194 155 HA LYS 20 HA LYS 20 11.646 0.264 -12.917 156 1HB LYS 20 2HB LYS 20 13.547 2.287 -11.754 157 2HB LYS 20 1HB LYS 20 13.878 0.563 -11.586 158 1HG LYS 20 2HG LYS 20 13.089 1.111 -14.310 159 2HG LYS 20 1HG LYS 20 14.381 2.217 -13.848 160 1HD LYS 20 2HD LYS 20 14.808 -0.567 -12.964 161 2HD LYS 20 1HD LYS 20 14.772 -0.363 -14.715 162 1HE LYS 20 2HE LYS 20 17.050 -0.036 -14.067 163 2HE LYS 20 1HE LYS 20 16.406 1.573 -14.389 164 1HZ LYS 20 2HZ LYS 20 16.448 0.354 -11.687 165 2HZ LYS 20 1HZ LYS 20 17.695 1.345 -12.279 166 3HZ LYS 20 3HZ LYS 20 16.131 1.973 -12.090 167 H PHE 21 H PHE 21 9.620 1.305 -10.981 168 HA PHE 21 HA PHE 21 10.325 -0.522 -8.750 169 1HB PHE 21 2HB PHE 21 9.480 2.371 -8.436 170 2HB PHE 21 1HB PHE 21 9.405 1.193 -7.124 171 HD1 PHE 21 HD1 PHE 21 11.701 -0.344 -7.080 172 HD2 PHE 21 HD2 PHE 21 11.364 3.732 -8.391 173 HE1 PHE 21 HE1 PHE 21 14.114 0.001 -6.625 174 HE2 PHE 21 HE2 PHE 21 13.777 4.078 -7.934 175 HZ PHE 21 HZ PHE 21 15.152 2.213 -7.050 176 H ILE 22 H ILE 22 7.673 1.833 -9.149 177 HA ILE 22 HA ILE 22 5.759 -0.430 -8.930 178 HB ILE 22 HB ILE 22 5.465 1.470 -7.378 179 1HG1 ILE 22 2HG1 ILE 22 3.242 1.553 -9.429 180 2HG1 ILE 22 1HG1 ILE 22 3.495 0.165 -8.371 181 1HG2 ILE 22 1HG2 ILE 22 5.168 3.058 -9.939 182 2HG2 ILE 22 3HG2 ILE 22 4.687 3.660 -8.353 183 3HG2 ILE 22 2HG2 ILE 22 6.379 3.285 -8.678 184 1HD1 ILE 22 2HD1 ILE 22 3.536 2.015 -6.480 185 2HD1 ILE 22 1HD1 ILE 22 2.628 2.947 -7.671 186 3HD1 ILE 22 3HD1 ILE 22 2.000 1.404 -7.094 187 H HIS 23 H HIS 23 4.104 -0.727 -10.510 188 HA HIS 23 HA HIS 23 4.007 0.980 -12.882 189 1HB HIS 23 2HB HIS 23 4.599 -0.902 -14.446 190 2HB HIS 23 1HB HIS 23 5.959 -0.319 -13.487 191 HD1 HIS 23 HD1 HIS 23 4.106 -3.359 -14.292 192 HD2 HIS 23 HD2 HIS 23 6.458 -2.048 -11.109 193 HE1 HIS 23 HE1 HIS 23 4.749 -5.426 -12.976 194 H TRP 24 H TRP 24 2.302 0.292 -14.366 195 HA TRP 24 HA TRP 24 0.034 -0.883 -12.948 196 1HB TRP 24 2HB TRP 24 0.445 0.200 -15.741 197 2HB TRP 24 1HB TRP 24 -1.064 -0.567 -15.257 198 HD1 TRP 24 HD1 TRP 24 1.019 1.745 -12.984 199 HE1 TRP 24 HE1 TRP 24 -0.410 3.821 -12.424 200 HE3 TRP 24 HE3 TRP 24 -3.036 0.861 -15.958 201 HZ2 TRP 24 HZ2 TRP 24 -2.935 4.953 -13.139 202 HZ3 TRP 24 HZ3 TRP 24 -4.935 2.452 -16.002 203 HH2 TRP 24 HH2 TRP 24 -4.890 4.495 -14.598 204 H SER 25 H SER 25 -1.050 -2.832 -13.576 205 HA SER 25 HA SER 25 0.741 -4.880 -14.714 206 1HB SER 25 2HB SER 25 -0.649 -5.375 -12.706 207 2HB SER 25 1HB SER 25 -2.101 -5.112 -13.667 208 HG SER 25 HG SER 25 -1.507 -7.327 -13.547 209 H THR 26 H THR 26 -0.506 -6.480 -16.312 210 HA THR 26 HA THR 26 -1.042 -5.046 -18.719 211 HB THR 26 HB THR 26 -2.013 -7.846 -18.094 212 HG1 THR 26 HG1 THR 26 0.532 -6.998 -19.011 213 1HG2 THR 26 1HG2 THR 26 -1.187 -6.411 -20.631 214 2HG2 THR 26 3HG2 THR 26 -1.513 -8.142 -20.536 215 3HG2 THR 26 2HG2 THR 26 -2.803 -6.983 -20.214 216 H SER 27 H SER 27 -2.950 -4.382 -19.668 217 HA SER 27 HA SER 27 -5.263 -4.032 -19.979 218 1HB SER 27 2HB SER 27 -5.445 -6.325 -18.575 219 2HB SER 27 1HB SER 27 -6.084 -5.212 -17.370 220 HG SER 27 HG SER 27 -7.852 -5.419 -18.495 221 H GLY 28 H GLY 28 -4.453 -3.851 -16.479 222 1HA GLY 28 2HA GLY 28 -4.015 -1.518 -15.619 223 2HA GLY 28 1HA GLY 28 -5.430 -1.028 -16.552 224 H GLU 29 H GLU 29 -6.128 -0.258 -14.334 225 HA GLU 29 HA GLU 29 -7.522 -0.488 -12.464 226 1HB GLU 29 2HB GLU 29 -8.310 -2.717 -14.277 227 2HB GLU 29 1HB GLU 29 -8.866 -2.816 -12.606 228 1HG GLU 29 2HG GLU 29 -9.157 -0.169 -13.925 229 2HG GLU 29 1HG GLU 29 -10.213 -1.452 -14.515 230 H SER 30 H SER 30 -4.753 -1.557 -12.404 231 HA SER 30 HA SER 30 -4.889 -2.897 -9.851 232 1HB SER 30 2HB SER 30 -3.658 -4.993 -10.781 233 2HB SER 30 1HB SER 30 -5.410 -4.915 -10.934 234 HG SER 30 HG SER 30 -4.106 -5.469 -12.876 235 H ILE 31 H ILE 31 -2.930 -2.687 -8.809 236 HA ILE 31 HA ILE 31 -0.624 -1.709 -10.452 237 HB ILE 31 HB ILE 31 -1.200 -1.085 -7.540 238 1HG1 ILE 31 2HG1 ILE 31 -1.565 0.730 -9.942 239 2HG1 ILE 31 1HG1 ILE 31 -2.893 -0.146 -9.181 240 1HG2 ILE 31 1HG2 ILE 31 0.889 -0.265 -9.542 241 2HG2 ILE 31 3HG2 ILE 31 0.447 0.833 -8.234 242 3HG2 ILE 31 2HG2 ILE 31 1.095 -0.766 -7.864 243 1HD1 ILE 31 1HD1 ILE 31 -1.076 1.526 -7.474 244 2HD1 ILE 31 3HD1 ILE 31 -2.340 2.316 -8.418 245 3HD1 ILE 31 2HD1 ILE 31 -2.769 1.099 -7.215 246 H VAL 32 H VAL 32 1.444 -2.595 -9.950 247 HA VAL 32 HA VAL 32 1.378 -4.904 -8.042 248 HB VAL 32 HB VAL 32 3.014 -4.712 -10.590 249 1HG1 VAL 32 3HG1 VAL 32 3.647 -6.168 -8.447 250 2HG1 VAL 32 2HG1 VAL 32 2.429 -7.251 -9.118 251 3HG1 VAL 32 1HG1 VAL 32 3.843 -6.812 -10.076 252 1HG2 VAL 32 1HG2 VAL 32 0.323 -5.049 -10.544 253 2HG2 VAL 32 3HG2 VAL 32 1.366 -5.847 -11.720 254 3HG2 VAL 32 2HG2 VAL 32 0.833 -6.715 -10.280 255 H VAL 33 H VAL 33 2.933 -4.904 -6.497 256 HA VAL 33 HA VAL 33 5.091 -2.844 -6.696 257 HB VAL 33 HB VAL 33 4.005 -4.202 -4.208 258 1HG1 VAL 33 1HG1 VAL 33 6.137 -2.194 -4.786 259 2HG1 VAL 33 3HG1 VAL 33 5.156 -1.935 -3.344 260 3HG1 VAL 33 2HG1 VAL 33 6.069 -3.431 -3.531 261 1HG2 VAL 33 2HG2 VAL 33 2.309 -2.767 -5.318 262 2HG2 VAL 33 1HG2 VAL 33 2.846 -2.070 -3.789 263 3HG2 VAL 33 3HG2 VAL 33 3.456 -1.427 -5.315 264 HA PRO 34 HA PRO 34 7.154 -6.906 -7.181 265 1HB PRO 34 2HB PRO 34 9.428 -5.911 -8.350 266 2HB PRO 34 1HB PRO 34 7.977 -6.364 -9.259 267 1HG PRO 34 2HG PRO 34 9.009 -3.655 -8.607 268 2HG PRO 34 1HG PRO 34 7.973 -4.170 -9.948 269 1HD PRO 34 2HD PRO 34 7.119 -2.856 -7.589 270 2HD PRO 34 1HD PRO 34 6.078 -3.627 -8.800 271 H ASN 35 H ASN 35 8.252 -3.833 -5.882 272 HA ASN 35 HA ASN 35 9.716 -5.304 -3.763 273 1HB ASN 35 2HB ASN 35 11.548 -3.495 -3.942 274 2HB ASN 35 1HB ASN 35 11.564 -4.779 -5.147 275 1HD2 ASN 35 2HD2 ASN 35 11.137 -2.555 -7.838 276 2HD2 ASN 35 1HD2 ASN 35 11.513 -4.125 -7.312 277 H ARG 36 H ARG 36 8.077 -4.694 -2.316 278 HA ARG 36 HA ARG 36 7.133 -1.972 -2.060 279 1HB ARG 36 2HB ARG 36 5.858 -4.007 -1.323 280 2HB ARG 36 1HB ARG 36 7.015 -4.197 -0.005 281 1HG ARG 36 2HG ARG 36 5.757 -1.512 -0.333 282 2HG ARG 36 1HG ARG 36 4.739 -2.808 0.295 283 1HD ARG 36 2HD ARG 36 7.404 -2.739 1.528 284 2HD ARG 36 1HD ARG 36 6.470 -1.271 1.804 285 HE ARG 36 HE ARG 36 5.268 -3.937 2.392 286 1HH1 ARG 36 1HH2 ARG 36 7.084 -1.551 3.884 287 2HH1 ARG 36 2HH2 ARG 36 5.957 -1.238 5.162 288 1HH2 ARG 36 2HH1 ARG 36 3.452 -3.207 3.792 289 2HH2 ARG 36 1HH1 ARG 36 3.902 -2.175 5.109 290 H GLU 37 H GLU 37 9.992 -3.568 -0.980 291 HA GLU 37 HA GLU 37 10.416 -1.870 1.361 292 1HB GLU 37 2HB GLU 37 11.341 -4.258 0.933 293 2HB GLU 37 1HB GLU 37 12.557 -3.449 -0.057 294 1HG GLU 37 2HG GLU 37 13.697 -3.240 1.898 295 2HG GLU 37 1HG GLU 37 12.595 -1.897 2.200 296 H ARG 38 H ARG 38 12.069 -2.182 -1.806 297 HA ARG 38 HA ARG 38 13.623 0.217 -1.457 298 1HB ARG 38 2HB ARG 38 13.411 -1.886 -3.366 299 2HB ARG 38 1HB ARG 38 13.197 -0.377 -4.250 300 1HG ARG 38 2HG ARG 38 15.384 0.143 -4.050 301 2HG ARG 38 1HG ARG 38 15.361 -0.145 -2.312 302 1HD ARG 38 2HD ARG 38 16.752 -1.874 -2.862 303 2HD ARG 38 1HD ARG 38 15.235 -2.701 -3.210 304 HE ARG 38 HE ARG 38 15.603 -1.845 -5.619 305 1HH1 ARG 38 1HH2 ARG 38 18.249 -0.553 -4.617 306 2HH1 ARG 38 2HH2 ARG 38 19.396 -1.687 -5.253 307 1HH2 ARG 38 2HH1 ARG 38 17.017 -4.128 -5.898 308 2HH2 ARG 38 1HH1 ARG 38 18.697 -3.713 -5.979 309 H PHE 39 H PHE 39 10.441 -0.437 -2.775 310 HA PHE 39 HA PHE 39 10.044 2.017 -4.182 311 1HB PHE 39 2HB PHE 39 8.543 0.148 -4.529 312 2HB PHE 39 1HB PHE 39 8.099 0.122 -2.826 313 HD1 PHE 39 HD1 PHE 39 7.849 2.099 -5.967 314 HD2 PHE 39 HD2 PHE 39 6.424 1.577 -1.953 315 HE1 PHE 39 HE1 PHE 39 5.992 3.672 -6.429 316 HE2 PHE 39 HE2 PHE 39 4.563 3.156 -2.411 317 HZ PHE 39 HZ PHE 39 4.348 4.203 -4.649 318 H VAL 40 H VAL 40 8.635 1.131 -1.008 319 HA VAL 40 HA VAL 40 7.827 3.711 -0.238 320 HB VAL 40 HB VAL 40 8.860 1.481 1.549 321 1HG1 VAL 40 2HG1 VAL 40 7.511 4.086 2.071 322 2HG1 VAL 40 1HG1 VAL 40 6.952 2.698 3.004 323 3HG1 VAL 40 3HG1 VAL 40 8.644 3.187 3.076 324 1HG2 VAL 40 3HG2 VAL 40 6.115 2.106 0.428 325 2HG2 VAL 40 2HG2 VAL 40 7.075 0.655 0.145 326 3HG2 VAL 40 1HG2 VAL 40 6.396 0.964 1.743 327 H GLN 41 H GLN 41 10.976 2.147 0.184 328 HA GLN 41 HA GLN 41 12.219 4.061 1.851 329 1HB GLN 41 2HB GLN 41 13.096 1.774 1.011 330 2HB GLN 41 1HB GLN 41 13.707 2.685 -0.371 331 1HG GLN 41 2HG GLN 41 15.511 3.185 0.885 332 2HG GLN 41 1HG GLN 41 14.459 4.230 1.837 333 1HE2 GLN 41 2HE2 GLN 41 16.146 1.353 3.833 334 2HE2 GLN 41 1HE2 GLN 41 16.788 2.242 2.538 335 H GLU 42 H GLU 42 11.864 4.088 -1.704 336 HA GLU 42 HA GLU 42 12.874 6.906 -1.630 337 1HB GLU 42 2HB GLU 42 13.473 4.725 -3.635 338 2HB GLU 42 1HB GLU 42 13.761 6.432 -3.971 339 1HG GLU 42 2HG GLU 42 15.405 6.616 -2.302 340 2HG GLU 42 1HG GLU 42 14.844 5.170 -1.461 341 H VAL 43 H VAL 43 10.067 5.857 -1.625 342 HA VAL 43 HA VAL 43 9.165 7.454 -3.944 343 HB VAL 43 HB VAL 43 8.076 4.662 -3.470 344 1HG1 VAL 43 3HG1 VAL 43 7.390 6.965 -5.234 345 2HG1 VAL 43 2HG1 VAL 43 7.321 5.358 -5.957 346 3HG1 VAL 43 1HG1 VAL 43 6.341 5.731 -4.539 347 1HG2 VAL 43 2HG2 VAL 43 10.080 5.764 -5.456 348 2HG2 VAL 43 1HG2 VAL 43 10.284 4.397 -4.362 349 3HG2 VAL 43 3HG2 VAL 43 9.192 4.268 -5.740 350 H LEU 44 H LEU 44 8.332 5.898 -0.844 351 HA LEU 44 HA LEU 44 5.673 7.069 -0.784 352 1HB LEU 44 2HB LEU 44 6.539 5.005 0.523 353 2HB LEU 44 1HB LEU 44 7.165 6.183 1.674 354 HG LEU 44 HG LEU 44 4.815 7.204 1.677 355 1HD1 LEU 44 3HD1 LEU 44 4.326 4.588 0.236 356 2HD1 LEU 44 2HD1 LEU 44 3.047 5.457 1.085 357 3HD1 LEU 44 1HD1 LEU 44 3.870 6.210 -0.282 358 1HD2 LEU 44 3HD2 LEU 44 5.747 4.657 2.890 359 2HD2 LEU 44 2HD2 LEU 44 5.146 6.121 3.669 360 3HD2 LEU 44 1HD2 LEU 44 4.010 4.956 2.989 361 HA PRO 45 HA PRO 45 7.625 10.298 2.013 362 1HB PRO 45 2HB PRO 45 10.348 10.590 2.131 363 2HB PRO 45 1HB PRO 45 9.421 9.580 3.254 364 1HG PRO 45 2HG PRO 45 11.146 8.755 0.968 365 2HG PRO 45 1HG PRO 45 10.767 7.882 2.463 366 1HD PRO 45 2HD PRO 45 9.609 7.383 -0.047 367 2HD PRO 45 1HD PRO 45 8.982 6.828 1.514 368 H LYS 46 H LYS 46 8.478 9.644 -1.187 369 HA LYS 46 HA LYS 46 9.701 12.245 -1.770 370 1HB LYS 46 2HB LYS 46 9.690 9.760 -3.028 371 2HB LYS 46 1HB LYS 46 8.663 10.746 -4.068 372 1HG LYS 46 2HG LYS 46 10.730 11.276 -4.957 373 2HG LYS 46 1HG LYS 46 10.622 12.520 -3.710 374 1HD LYS 46 2HD LYS 46 12.079 11.384 -2.267 375 2HD LYS 46 1HD LYS 46 11.811 9.832 -3.062 376 1HE LYS 46 2HE LYS 46 14.013 10.654 -3.684 377 2HE LYS 46 1HE LYS 46 12.961 10.733 -5.096 378 1HZ LYS 46 2HZ LYS 46 12.515 13.090 -4.462 379 2HZ LYS 46 1HZ LYS 46 13.757 12.961 -3.310 380 3HZ LYS 46 3HZ LYS 46 14.110 12.780 -4.960 381 H TYR 47 H TYR 47 6.538 10.700 -2.073 382 HA TYR 47 HA TYR 47 5.428 13.175 -3.295 383 1HB TYR 47 2HB TYR 47 4.287 10.402 -2.868 384 2HB TYR 47 1HB TYR 47 3.332 11.754 -3.474 385 HD1 TYR 47 HD2 TYR 47 6.489 9.853 -4.132 386 HD2 TYR 47 HD1 TYR 47 3.341 12.277 -5.763 387 HE1 TYR 47 HE2 TYR 47 7.363 9.449 -6.417 388 HE2 TYR 47 HE1 TYR 47 4.212 11.871 -8.048 389 HH TYR 47 HH TYR 47 6.415 11.259 -9.093 390 H PHE 48 H PHE 48 5.019 11.055 -0.470 391 HA PHE 48 HA PHE 48 3.085 12.916 0.744 392 1HB PHE 48 2HB PHE 48 4.286 10.284 1.628 393 2HB PHE 48 1HB PHE 48 3.219 11.238 2.660 394 HD1 PHE 48 HD1 PHE 48 0.988 12.076 1.460 395 HD2 PHE 48 HD2 PHE 48 3.322 8.686 0.232 396 HE1 PHE 48 HE1 PHE 48 -0.988 11.142 0.286 397 HE2 PHE 48 HE2 PHE 48 1.348 7.752 -0.943 398 HZ PHE 48 HZ PHE 48 -0.807 8.980 -0.916 399 H LYS 49 H LYS 49 3.606 13.219 3.271 400 HA LYS 49 HA LYS 49 6.236 14.600 3.344 401 1HB LYS 49 2HB LYS 49 3.870 14.795 5.233 402 2HB LYS 49 1HB LYS 49 5.309 15.817 5.265 403 1HG LYS 49 2HG LYS 49 4.644 16.210 2.713 404 2HG LYS 49 1HG LYS 49 3.039 15.800 3.319 405 1HD LYS 49 2HD LYS 49 2.863 17.720 4.541 406 2HD LYS 49 1HD LYS 49 4.569 17.715 4.983 407 1HE LYS 49 2HE LYS 49 5.072 19.152 3.322 408 2HE LYS 49 1HE LYS 49 4.261 18.142 2.125 409 1HZ LYS 49 2HZ LYS 49 2.129 19.093 2.963 410 2HZ LYS 49 1HZ LYS 49 3.038 20.199 3.878 411 3HZ LYS 49 3HZ LYS 49 3.144 20.213 2.185 412 H HIS 50 H HIS 50 4.248 12.804 5.736 413 HA HIS 50 HA HIS 50 6.663 11.236 6.473 414 1HB HIS 50 2HB HIS 50 5.009 12.891 8.402 415 2HB HIS 50 1HB HIS 50 6.153 11.649 8.907 416 HD1 HIS 50 HD1 HIS 50 8.556 12.120 7.198 417 HD2 HIS 50 HD2 HIS 50 6.334 15.282 8.763 418 HE1 HIS 50 HE1 HIS 50 10.094 14.134 7.225 419 H SER 51 H SER 51 4.252 10.505 5.056 420 HA SER 51 HA SER 51 2.562 9.054 6.980 421 1HB SER 51 2HB SER 51 1.928 10.154 4.637 422 2HB SER 51 1HB SER 51 2.415 8.574 4.031 423 HG SER 51 HG SER 51 0.159 9.290 5.291 424 H ASN 52 H ASN 52 2.319 6.702 6.885 425 HA ASN 52 HA ASN 52 4.858 5.356 6.060 426 1HB ASN 52 2HB ASN 52 3.607 5.369 8.524 427 2HB ASN 52 1HB ASN 52 3.026 3.861 7.824 428 1HD2 ASN 52 2HD2 ASN 52 6.761 3.998 9.246 429 2HD2 ASN 52 1HD2 ASN 52 5.583 5.171 9.585 430 H PHE 53 H PHE 53 4.585 3.081 5.263 431 HA PHE 53 HA PHE 53 2.806 2.902 3.067 432 1HB PHE 53 2HB PHE 53 4.908 1.493 3.597 433 2HB PHE 53 1HB PHE 53 3.819 0.472 4.533 434 HD1 PHE 53 HD2 PHE 53 4.259 1.986 1.139 435 HD2 PHE 53 HD1 PHE 53 2.492 -1.157 3.472 436 HE1 PHE 53 HE2 PHE 53 3.508 0.863 -0.941 437 HE2 PHE 53 HE1 PHE 53 1.746 -2.283 1.393 438 HZ PHE 53 HZ PHE 53 2.253 -1.272 -0.815 439 H ALA 54 H ALA 54 2.436 1.806 6.406 440 HA ALA 54 HA ALA 54 0.082 0.234 6.061 441 1HB ALA 54 3HB ALA 54 1.369 1.661 8.350 442 2HB ALA 54 2HB ALA 54 -0.303 1.138 8.546 443 3HB ALA 54 1HB ALA 54 0.953 -0.044 8.182 444 H SER 55 H SER 55 0.517 3.715 6.625 445 HA SER 55 HA SER 55 -2.299 4.313 6.840 446 1HB SER 55 2HB SER 55 0.118 6.008 6.170 447 2HB SER 55 1HB SER 55 -1.507 6.674 6.291 448 HG SER 55 HG SER 55 -1.284 6.626 8.372 449 H PHE 56 H PHE 56 -0.060 3.952 4.163 450 HA PHE 56 HA PHE 56 -1.639 5.205 2.127 451 1HB PHE 56 2HB PHE 56 0.750 4.633 1.831 452 2HB PHE 56 1HB PHE 56 0.352 2.918 1.914 453 HD1 PHE 56 HD2 PHE 56 -1.106 5.886 0.128 454 HD2 PHE 56 HD1 PHE 56 0.441 1.892 -0.161 455 HE1 PHE 56 HE2 PHE 56 -1.584 5.875 -2.308 456 HE2 PHE 56 HE1 PHE 56 -0.038 1.877 -2.591 457 HZ PHE 56 HZ PHE 56 -1.049 3.864 -3.663 458 H VAL 57 H VAL 57 -1.314 1.749 3.003 459 HA VAL 57 HA VAL 57 -3.361 0.820 1.238 460 HB VAL 57 HB VAL 57 -2.459 -0.427 3.854 461 1HG1 VAL 57 2HG1 VAL 57 -4.548 -1.172 2.206 462 2HG1 VAL 57 1HG1 VAL 57 -3.216 -2.142 1.581 463 3HG1 VAL 57 3HG1 VAL 57 -3.672 -2.259 3.281 464 1HG2 VAL 57 2HG2 VAL 57 -1.385 -0.734 1.030 465 2HG2 VAL 57 1HG2 VAL 57 -0.547 0.037 2.376 466 3HG2 VAL 57 3HG2 VAL 57 -0.874 -1.695 2.417 467 H ARG 58 H ARG 58 -3.477 2.295 4.413 468 HA ARG 58 HA ARG 58 -6.100 1.428 5.180 469 1HB ARG 58 2HB ARG 58 -4.231 2.753 6.507 470 2HB ARG 58 1HB ARG 58 -5.092 4.162 5.896 471 1HG ARG 58 2HG ARG 58 -6.934 2.150 6.948 472 2HG ARG 58 1HG ARG 58 -5.768 2.665 8.164 473 1HD ARG 58 2HD ARG 58 -7.035 4.499 8.487 474 2HD ARG 58 1HD ARG 58 -6.567 5.036 6.874 475 HE ARG 58 HE ARG 58 -8.670 4.246 6.039 476 1HH1 ARG 58 1HH2 ARG 58 -8.880 4.970 9.227 477 2HH1 ARG 58 2HH2 ARG 58 -10.185 3.896 9.605 478 1HH2 ARG 58 2HH1 ARG 58 -10.039 2.217 6.578 479 2HH2 ARG 58 1HH1 ARG 58 -10.842 2.341 8.107 480 H GLN 59 H GLN 59 -5.001 4.413 3.538 481 HA GLN 59 HA GLN 59 -7.618 5.488 3.087 482 1HB GLN 59 2HB GLN 59 -4.918 5.916 1.824 483 2HB GLN 59 1HB GLN 59 -6.347 6.671 1.124 484 1HG GLN 59 2HG GLN 59 -5.578 8.306 2.618 485 2HG GLN 59 1HG GLN 59 -6.821 7.480 3.555 486 1HE2 GLN 59 2HE2 GLN 59 -2.968 7.370 4.795 487 2HE2 GLN 59 1HE2 GLN 59 -3.432 8.235 3.410 488 H LEU 60 H LEU 60 -5.564 3.328 1.189 489 HA LEU 60 HA LEU 60 -7.096 3.280 -1.203 490 1HB LEU 60 2HB LEU 60 -5.267 1.245 0.088 491 2HB LEU 60 1HB LEU 60 -5.962 1.018 -1.513 492 HG LEU 60 HG LEU 60 -4.464 3.536 -0.805 493 1HD1 LEU 60 1HD1 LEU 60 -3.411 0.817 -1.326 494 2HD1 LEU 60 3HD1 LEU 60 -2.679 2.101 -2.287 495 3HD1 LEU 60 2HD1 LEU 60 -2.643 2.188 -0.527 496 1HD2 LEU 60 2HD2 LEU 60 -6.002 3.130 -2.899 497 2HD2 LEU 60 1HD2 LEU 60 -4.434 3.906 -3.115 498 3HD2 LEU 60 3HD2 LEU 60 -4.630 2.194 -3.491 499 H ASN 61 H ASN 61 -7.448 1.467 1.814 500 HA ASN 61 HA ASN 61 -9.480 -0.324 0.731 501 1HB ASN 61 2HB ASN 61 -7.838 -0.439 2.904 502 2HB ASN 61 1HB ASN 61 -9.347 0.067 3.664 503 1HD2 ASN 61 2HD2 ASN 61 -9.252 -3.583 1.757 504 2HD2 ASN 61 1HD2 ASN 61 -8.178 -2.365 1.261 505 H MET 62 H MET 62 -9.452 2.749 2.436 506 HA MET 62 HA MET 62 -12.291 2.715 3.065 507 1HB MET 62 2HB MET 62 -10.448 4.081 4.230 508 2HB MET 62 1HB MET 62 -10.565 5.183 2.858 509 1HG MET 62 2HG MET 62 -12.125 6.148 4.270 510 2HG MET 62 1HG MET 62 -13.164 5.025 3.395 511 1HE MET 62 2HE MET 62 -11.885 6.418 6.272 512 2HE MET 62 1HE MET 62 -13.538 6.179 6.833 513 3HE MET 62 3HE MET 62 -12.192 5.396 7.673 514 H TYR 63 H TYR 63 -10.421 3.534 0.247 515 HA TYR 63 HA TYR 63 -12.619 5.139 -0.904 516 1HB TYR 63 2HB TYR 63 -9.811 4.476 -1.773 517 2HB TYR 63 1HB TYR 63 -10.969 5.173 -2.909 518 HD1 TYR 63 HD2 TYR 63 -12.443 7.163 -1.702 519 HD2 TYR 63 HD1 TYR 63 -8.415 6.026 -0.735 520 HE1 TYR 63 HE2 TYR 63 -12.039 9.412 -0.734 521 HE2 TYR 63 HE1 TYR 63 -8.014 8.271 0.237 522 HH TYR 63 HH TYR 63 -10.148 10.889 -0.245 523 H GLY 64 H GLY 64 -11.038 1.982 -1.399 524 1HA GLY 64 2HA GLY 64 -13.165 0.474 -2.175 525 2HA GLY 64 1HA GLY 64 -12.821 1.356 -3.659 526 H TRP 65 H TRP 65 -9.879 1.377 -2.985 527 HA TRP 65 HA TRP 65 -9.085 -0.921 -4.461 528 1HB TRP 65 2HB TRP 65 -7.559 0.875 -2.568 529 2HB TRP 65 1HB TRP 65 -6.783 -0.399 -3.504 530 HD1 TRP 65 HD1 TRP 65 -8.344 3.031 -3.805 531 HE1 TRP 65 HE1 TRP 65 -7.953 3.940 -6.185 532 HE3 TRP 65 HE3 TRP 65 -6.463 -1.153 -6.049 533 HZ2 TRP 65 HZ2 TRP 65 -6.973 3.016 -8.706 534 HZ3 TRP 65 HZ3 TRP 65 -5.809 -1.109 -8.439 535 HH2 TRP 65 HH2 TRP 65 -6.061 0.968 -9.769 536 H HIS 66 H HIS 66 -8.657 -3.008 -3.853 537 HA HIS 66 HA HIS 66 -8.638 -3.622 -0.922 538 1HB HIS 66 2HB HIS 66 -9.831 -5.306 -3.147 539 2HB HIS 66 1HB HIS 66 -9.822 -5.714 -1.430 540 HD1 HIS 66 HD1 HIS 66 -10.620 -3.029 -0.198 541 HD2 HIS 66 HD2 HIS 66 -12.495 -4.630 -3.559 542 HE1 HIS 66 HE1 HIS 66 -12.910 -1.953 -0.323 543 H LYS 67 H LYS 67 -7.397 -5.597 -0.374 544 HA LYS 67 HA LYS 67 -5.288 -6.190 -2.412 545 1HB LYS 67 2HB LYS 67 -4.108 -6.837 0.026 546 2HB LYS 67 1HB LYS 67 -3.784 -5.394 -0.922 547 1HG LYS 67 2HG LYS 67 -4.268 -4.580 1.246 548 2HG LYS 67 1HG LYS 67 -5.765 -4.327 0.355 549 1HD LYS 67 2HD LYS 67 -6.777 -5.466 2.033 550 2HD LYS 67 1HD LYS 67 -6.058 -6.911 1.328 551 1HE LYS 67 2HE LYS 67 -4.334 -6.981 2.884 552 2HE LYS 67 1HE LYS 67 -4.407 -5.246 3.194 553 1HZ LYS 67 3HZ LYS 67 -6.639 -7.038 3.925 554 2HZ LYS 67 2HZ LYS 67 -5.318 -6.801 4.968 555 3HZ LYS 67 1HZ LYS 67 -6.293 -5.485 4.513 556 H VAL 68 H VAL 68 -6.833 -7.918 -3.033 557 HA VAL 68 HA VAL 68 -7.426 -10.084 -1.211 558 HB VAL 68 HB VAL 68 -8.793 -9.632 -3.216 559 1HG1 VAL 68 2HG1 VAL 68 -6.184 -9.718 -4.505 560 2HG1 VAL 68 1HG1 VAL 68 -7.325 -10.795 -5.309 561 3HG1 VAL 68 3HG1 VAL 68 -7.711 -9.086 -5.116 562 1HG2 VAL 68 3HG2 VAL 68 -8.085 -12.095 -2.236 563 2HG2 VAL 68 2HG2 VAL 68 -9.334 -11.833 -3.453 564 3HG2 VAL 68 1HG2 VAL 68 -7.701 -12.280 -3.948 565 H GLN 69 H GLN 69 -6.434 -12.163 -1.130 566 HA GLN 69 HA GLN 69 -3.834 -12.475 -2.543 567 1HB GLN 69 2HB GLN 69 -4.304 -12.506 0.434 568 2HB GLN 69 1HB GLN 69 -2.990 -13.446 -0.275 569 1HG GLN 69 2HG GLN 69 -2.515 -11.140 -1.532 570 2HG GLN 69 1HG GLN 69 -3.332 -10.483 -0.113 571 1HE2 GLN 69 2HE2 GLN 69 -0.757 -11.556 2.163 572 2HE2 GLN 69 1HE2 GLN 69 -2.424 -11.255 2.064 573 H ASP 70 H ASP 70 -4.788 -14.119 -3.817 574 HA ASP 70 HA ASP 70 -6.281 -16.309 -2.631 575 1HB ASP 70 2HB ASP 70 -5.190 -15.689 -5.359 576 2HB ASP 70 1HB ASP 70 -5.743 -17.324 -5.001 577 H VAL 71 H VAL 71 -3.338 -16.671 -4.619 578 HA VAL 71 HA VAL 71 -2.361 -18.645 -2.588 579 HB VAL 71 HB VAL 71 -1.340 -18.721 -5.406 580 1HG1 VAL 71 3HG1 VAL 71 -1.669 -20.530 -3.068 581 2HG1 VAL 71 2HG1 VAL 71 -1.800 -21.271 -4.662 582 3HG1 VAL 71 1HG1 VAL 71 -0.335 -20.400 -4.212 583 1HG2 VAL 71 1HG2 VAL 71 -4.156 -19.291 -4.595 584 2HG2 VAL 71 3HG2 VAL 71 -3.517 -18.803 -6.165 585 3HG2 VAL 71 2HG2 VAL 71 -3.378 -20.480 -5.639 586 H LYS 72 H LYS 72 0.195 -18.919 -2.992 587 HA LYS 72 HA LYS 72 1.342 -16.158 -3.056 588 1HB LYS 72 2HB LYS 72 1.304 -17.530 -0.840 589 2HB LYS 72 1HB LYS 72 2.593 -18.472 -1.590 590 1HG LYS 72 2HG LYS 72 3.846 -16.342 -1.993 591 2HG LYS 72 1HG LYS 72 2.600 -15.483 -1.087 592 1HD LYS 72 2HD LYS 72 4.426 -15.980 0.429 593 2HD LYS 72 1HD LYS 72 3.057 -17.003 0.860 594 1HE LYS 72 2HE LYS 72 4.237 -18.878 0.446 595 2HE LYS 72 1HE LYS 72 4.710 -18.298 -1.151 596 1HZ LYS 72 1HZ LYS 72 5.993 -17.428 1.379 597 2HZ LYS 72 3HZ LYS 72 6.594 -18.668 0.390 598 3HZ LYS 72 2HZ LYS 72 6.504 -17.077 -0.202 599 H SER 73 H SER 73 2.391 -19.570 -3.386 600 HA SER 73 HA SER 73 4.442 -18.738 -5.342 601 1HB SER 73 2HB SER 73 4.626 -20.565 -3.426 602 2HB SER 73 1HB SER 73 3.899 -21.606 -4.647 603 HG SER 73 HG SER 73 6.420 -20.863 -4.433 604 H GLY 74 H GLY 74 2.356 -18.073 -6.663 605 1HA GLY 74 2HA GLY 74 1.096 -20.329 -8.080 606 2HA GLY 74 1HA GLY 74 0.734 -18.620 -8.325 607 H SER 75 H SER 75 2.640 -17.347 -9.310 608 HA SER 75 HA SER 75 3.408 -18.669 -11.785 609 1HB SER 75 2HB SER 75 2.843 -16.313 -11.836 610 2HB SER 75 1HB SER 75 4.081 -15.948 -10.637 611 HG SER 75 HG SER 75 4.322 -16.617 -13.345 612 H MET 76 H MET 76 4.818 -18.550 -8.684 613 HA MET 76 HA MET 76 6.781 -19.600 -7.936 614 1HB MET 76 2HB MET 76 6.747 -20.684 -10.379 615 2HB MET 76 1HB MET 76 8.110 -19.587 -10.610 616 1HG MET 76 2HG MET 76 7.933 -21.389 -8.197 617 2HG MET 76 1HG MET 76 8.641 -21.948 -9.712 618 1HE MET 76 2HE MET 76 10.299 -21.391 -10.766 619 2HE MET 76 1HE MET 76 11.244 -19.906 -10.695 620 3HE MET 76 3HE MET 76 11.782 -21.345 -9.816 621 H LEU 77 H LEU 77 7.330 -17.177 -10.534 622 HA LEU 77 HA LEU 77 9.746 -16.131 -9.432 623 1HB LEU 77 2HB LEU 77 7.684 -15.143 -11.363 624 2HB LEU 77 1HB LEU 77 8.823 -13.975 -10.699 625 HG LEU 77 HG LEU 77 10.330 -16.293 -11.423 626 1HD1 LEU 77 1HD1 LEU 77 8.129 -15.601 -13.309 627 2HD1 LEU 77 3HD1 LEU 77 9.721 -15.892 -14.011 628 3HD1 LEU 77 2HD1 LEU 77 8.941 -17.143 -13.045 629 1HD2 LEU 77 3HD2 LEU 77 10.864 -13.746 -11.414 630 2HD2 LEU 77 2HD2 LEU 77 11.591 -14.742 -12.675 631 3HD2 LEU 77 1HD2 LEU 77 10.179 -13.750 -13.040 632 H SER 78 H SER 78 9.730 -15.568 -7.287 633 HA SER 78 HA SER 78 8.152 -13.223 -6.498 634 1HB SER 78 2HB SER 78 7.337 -14.508 -4.404 635 2HB SER 78 1HB SER 78 6.480 -14.790 -5.917 636 HG SER 78 HG SER 78 6.929 -16.795 -5.305 637 H ASN 79 H ASN 79 10.209 -15.895 -5.306 638 HA ASN 79 HA ASN 79 12.101 -15.862 -3.924 639 1HB ASN 79 2HB ASN 79 12.455 -13.828 -5.723 640 2HB ASN 79 1HB ASN 79 12.553 -12.950 -4.197 641 1HD2 ASN 79 2HD2 ASN 79 15.933 -13.939 -3.983 642 2HD2 ASN 79 1HD2 ASN 79 14.820 -12.657 -4.015 643 H ASN 80 H ASN 80 10.928 -16.214 -1.980 644 HA ASN 80 HA ASN 80 10.174 -15.704 0.180 645 1HB ASN 80 2HB ASN 80 12.002 -13.366 -0.400 646 2HB ASN 80 1HB ASN 80 11.161 -13.529 1.141 647 1HD2 ASN 80 2HD2 ASN 80 13.478 -15.868 2.368 648 2HD2 ASN 80 1HD2 ASN 80 12.251 -14.742 2.697 649 H ASP 81 H ASP 81 8.898 -13.961 1.443 650 HA ASP 81 HA ASP 81 6.783 -12.963 -0.330 651 1HB ASP 81 2HB ASP 81 6.734 -13.959 2.196 652 2HB ASP 81 1HB ASP 81 6.772 -12.231 2.550 653 H SER 82 H SER 82 7.763 -11.251 -1.489 654 HA SER 82 HA SER 82 8.160 -8.772 0.099 655 1HB SER 82 2HB SER 82 10.099 -9.278 -2.113 656 2HB SER 82 1HB SER 82 10.305 -8.345 -0.634 657 HG SER 82 HG SER 82 10.874 -10.941 -1.141 658 H ARG 83 H ARG 83 6.090 -9.833 -1.779 659 HA ARG 83 HA ARG 83 6.155 -7.541 -3.680 660 1HB ARG 83 2HB ARG 83 5.246 -8.977 -5.466 661 2HB ARG 83 1HB ARG 83 6.822 -9.557 -4.936 662 1HG ARG 83 2HG ARG 83 5.923 -11.567 -4.467 663 2HG ARG 83 1HG ARG 83 4.864 -10.811 -3.276 664 1HD ARG 83 2HD ARG 83 3.487 -10.130 -5.450 665 2HD ARG 83 1HD ARG 83 4.302 -11.541 -6.123 666 HE ARG 83 HE ARG 83 2.847 -11.840 -3.546 667 1HH1 ARG 83 1HH2 ARG 83 4.053 -13.664 -5.953 668 2HH1 ARG 83 2HH2 ARG 83 2.577 -14.454 -6.403 669 1HH2 ARG 83 2HH1 ARG 83 0.565 -12.338 -4.534 670 2HH2 ARG 83 1HH1 ARG 83 0.604 -13.703 -5.599 671 H TRP 84 H TRP 84 4.139 -6.579 -4.001 672 HA TRP 84 HA TRP 84 1.868 -7.764 -2.447 673 1HB TRP 84 2HB TRP 84 2.630 -4.853 -2.824 674 2HB TRP 84 1HB TRP 84 1.124 -5.394 -2.084 675 HD1 TRP 84 HD1 TRP 84 4.866 -6.305 -1.610 676 HE1 TRP 84 HE1 TRP 84 5.348 -6.400 0.921 677 HE3 TRP 84 HE3 TRP 84 0.234 -5.160 0.214 678 HZ2 TRP 84 HZ2 TRP 84 3.951 -6.049 3.392 679 HZ3 TRP 84 HZ3 TRP 84 -0.161 -5.049 2.659 680 HH2 TRP 84 HH2 TRP 84 1.691 -5.491 4.248 681 H GLU 85 H GLU 85 -0.273 -7.263 -3.320 682 HA GLU 85 HA GLU 85 -0.267 -6.473 -6.201 683 1HB GLU 85 2HB GLU 85 -0.391 -8.985 -5.884 684 2HB GLU 85 1HB GLU 85 -1.928 -8.734 -5.054 685 1HG GLU 85 2HG GLU 85 -2.963 -7.862 -7.004 686 2HG GLU 85 1HG GLU 85 -1.416 -7.625 -7.817 687 H PHE 86 H PHE 86 -1.954 -5.115 -6.745 688 HA PHE 86 HA PHE 86 -4.026 -4.631 -4.640 689 1HB PHE 86 2HB PHE 86 -2.518 -2.666 -6.374 690 2HB PHE 86 1HB PHE 86 -4.022 -2.239 -5.557 691 HD1 PHE 86 HD2 PHE 86 -0.687 -3.811 -4.854 692 HD2 PHE 86 HD1 PHE 86 -3.932 -1.421 -3.368 693 HE1 PHE 86 HE2 PHE 86 0.566 -3.415 -2.751 694 HE2 PHE 86 HE1 PHE 86 -2.678 -1.025 -1.266 695 HZ PHE 86 HZ PHE 86 -0.428 -2.021 -0.957 696 H GLU 87 H GLU 87 -5.948 -5.325 -5.413 697 HA GLU 87 HA GLU 87 -6.511 -4.985 -8.331 698 1HB GLU 87 2HB GLU 87 -6.573 -7.318 -6.958 699 2HB GLU 87 1HB GLU 87 -8.228 -6.771 -6.685 700 1HG GLU 87 2HG GLU 87 -8.811 -6.991 -8.888 701 2HG GLU 87 1HG GLU 87 -7.215 -6.510 -9.465 702 H ASN 88 H ASN 88 -9.039 -4.805 -8.654 703 HA ASN 88 HA ASN 88 -10.250 -3.117 -6.521 704 1HB ASN 88 2HB ASN 88 -9.055 -1.854 -8.540 705 2HB ASN 88 1HB ASN 88 -10.563 -2.244 -9.366 706 1HD2 ASN 88 2HD2 ASN 88 -11.468 0.929 -7.890 707 2HD2 ASN 88 1HD2 ASN 88 -10.748 0.262 -9.274 708 H GLU 89 H GLU 89 -12.530 -3.193 -6.499 709 HA GLU 89 HA GLU 89 -13.688 -5.416 -8.095 710 1HB GLU 89 2HB GLU 89 -13.964 -4.608 -5.400 711 2HB GLU 89 1HB GLU 89 -15.509 -4.235 -6.161 712 1HG GLU 89 2HG GLU 89 -15.994 -6.424 -5.813 713 2HG GLU 89 1HG GLU 89 -14.950 -6.727 -7.201 714 H ARG 90 H ARG 90 -14.625 -2.118 -7.049 715 HA ARG 90 HA ARG 90 -15.868 -0.465 -8.154 716 1HB ARG 90 2HB ARG 90 -14.109 -1.210 -9.990 717 2HB ARG 90 1HB ARG 90 -15.536 -1.897 -10.768 718 1HG ARG 90 2HG ARG 90 -15.287 0.344 -11.611 719 2HG ARG 90 1HG ARG 90 -16.654 0.358 -10.498 720 1HD ARG 90 2HD ARG 90 -15.630 2.024 -9.378 721 2HD ARG 90 1HD ARG 90 -14.390 0.866 -8.894 722 HE ARG 90 HE ARG 90 -13.076 1.584 -10.867 723 1HH1 ARG 90 2HH1 ARG 90 -15.842 2.881 -11.853 724 2HH1 ARG 90 1HH1 ARG 90 -15.344 4.540 -11.876 725 1HH2 ARG 90 1HH2 ARG 90 -12.424 3.971 -10.100 726 2HH2 ARG 90 2HH2 ARG 90 -13.412 5.156 -10.885 727 H HIS 91 H HIS 91 -17.990 -0.135 -9.104 728 HA HIS 91 HA HIS 91 -19.598 -2.621 -9.477 729 1HB HIS 91 2HB HIS 91 -19.729 -1.262 -7.142 730 2HB HIS 91 1HB HIS 91 -20.909 -0.344 -8.078 731 HD1 HIS 91 HD1 HIS 91 -20.599 -3.349 -6.087 732 HD2 HIS 91 HD2 HIS 91 -22.924 -2.198 -9.350 733 HE1 HIS 91 HE1 HIS 91 -22.539 -4.975 -6.193 734 H ALA 92 HN ALA 92 -20.463 -2.482 -11.479 735 HA ALA 92 HA ALA 92 -21.439 -1.599 -13.416 736 1HB ALA 92 1HB ALA 92 -22.437 0.203 -11.238 737 2HB ALA 92 3HB ALA 92 -22.728 0.663 -12.915 738 3HB ALA 92 2HB ALA 92 -23.341 -0.873 -12.301 No H/Q in entry = 738 Start of MODEL 28 Raw file had 756 H/Q atoms Start of MODEL 28 1 1H ALA 1 3H ALA 1 -16.981 13.629 -8.156 2 2H ALA 1 2H ALA 1 -17.405 15.223 -8.566 3 3H ALA 1 1H ALA 1 -16.041 14.495 -9.271 4 HA ALA 1 HA ALA 1 -15.122 15.868 -7.662 5 1HB ALA 1 2HB ALA 1 -17.492 14.959 -6.026 6 2HB ALA 1 1HB ALA 1 -16.092 15.722 -5.270 7 3HB ALA 1 3HB ALA 1 -17.035 16.602 -6.473 8 H ARG 2 H ARG 2 -13.219 14.845 -7.286 9 HA ARG 2 HA ARG 2 -13.306 12.138 -6.013 10 1HB ARG 2 2HB ARG 2 -11.376 13.370 -7.984 11 2HB ARG 2 1HB ARG 2 -10.971 11.927 -7.053 12 1HG ARG 2 2HG ARG 2 -12.798 10.696 -7.996 13 2HG ARG 2 1HG ARG 2 -13.494 12.150 -8.708 14 1HD ARG 2 2HD ARG 2 -10.774 11.852 -9.624 15 2HD ARG 2 1HD ARG 2 -11.660 10.354 -9.906 16 HE ARG 2 HE ARG 2 -12.080 12.841 -11.312 17 1HH1 ARG 2 1HH2 ARG 2 -14.717 12.991 -10.546 18 2HH1 ARG 2 2HH2 ARG 2 -15.566 11.751 -11.407 19 1HH2 ARG 2 2HH1 ARG 2 -12.700 9.967 -12.195 20 2HH2 ARG 2 1HH1 ARG 2 -14.424 10.040 -12.338 21 HA PRO 3 HA PRO 3 -11.008 13.879 -2.732 22 1HB PRO 3 2HB PRO 3 -9.641 11.704 -1.765 23 2HB PRO 3 1HB PRO 3 -11.372 11.974 -1.491 24 1HG PRO 3 2HG PRO 3 -10.039 10.046 -3.325 25 2HG PRO 3 1HG PRO 3 -11.631 9.949 -2.557 26 1HD PRO 3 2HD PRO 3 -11.133 10.667 -5.240 27 2HD PRO 3 1HD PRO 3 -12.661 10.887 -4.366 28 H ALA 4 H ALA 4 -8.844 14.521 -2.098 29 HA ALA 4 HA ALA 4 -7.004 14.879 -4.256 30 1HB ALA 4 2HB ALA 4 -6.913 15.317 -1.291 31 2HB ALA 4 1HB ALA 4 -5.414 15.418 -2.214 32 3HB ALA 4 3HB ALA 4 -6.760 16.492 -2.597 33 H PHE 5 H PHE 5 -7.356 12.336 -1.877 34 HA PHE 5 HA PHE 5 -4.719 11.234 -2.033 35 1HB PHE 5 2HB PHE 5 -6.332 10.582 -0.285 36 2HB PHE 5 1HB PHE 5 -7.365 9.841 -1.505 37 HD1 PHE 5 HD2 PHE 5 -3.985 9.666 0.060 38 HD2 PHE 5 HD1 PHE 5 -6.945 7.651 -2.313 39 HE1 PHE 5 HE2 PHE 5 -2.677 7.562 0.212 40 HE2 PHE 5 HE1 PHE 5 -5.639 5.551 -2.163 41 HZ PHE 5 HZ PHE 5 -3.506 5.505 -0.900 42 H VAL 6 H VAL 6 -7.717 10.175 -3.699 43 HA VAL 6 HA VAL 6 -6.445 8.304 -5.422 44 HB VAL 6 HB VAL 6 -8.955 9.927 -5.961 45 1HG1 VAL 6 2HG1 VAL 6 -7.949 8.736 -7.934 46 2HG1 VAL 6 1HG1 VAL 6 -8.102 7.224 -7.042 47 3HG1 VAL 6 3HG1 VAL 6 -9.544 8.133 -7.490 48 1HG2 VAL 6 1HG2 VAL 6 -8.810 8.545 -3.791 49 2HG2 VAL 6 3HG2 VAL 6 -10.167 8.201 -4.861 50 3HG2 VAL 6 2HG2 VAL 6 -8.767 7.128 -4.836 51 H ASN 7 H ASN 7 -6.776 11.795 -5.623 52 HA ASN 7 HA ASN 7 -6.071 12.074 -8.403 53 1HB ASN 7 2HB ASN 7 -5.949 13.911 -6.012 54 2HB ASN 7 1HB ASN 7 -5.328 14.417 -7.584 55 1HD2 ASN 7 2HD2 ASN 7 -8.698 14.048 -9.084 56 2HD2 ASN 7 1HD2 ASN 7 -7.136 13.463 -9.402 57 H LYS 8 H LYS 8 -4.191 11.845 -5.416 58 HA LYS 8 HA LYS 8 -1.632 12.434 -6.645 59 1HB LYS 8 2HB LYS 8 -2.253 10.918 -4.089 60 2HB LYS 8 1HB LYS 8 -0.679 11.567 -4.545 61 1HG LYS 8 2HG LYS 8 -1.323 13.763 -4.176 62 2HG LYS 8 1HG LYS 8 -3.025 13.427 -4.491 63 1HD LYS 8 2HD LYS 8 -3.430 12.727 -2.339 64 2HD LYS 8 1HD LYS 8 -1.810 12.053 -2.144 65 1HE LYS 8 2HE LYS 8 -0.889 14.083 -1.521 66 2HE LYS 8 1HE LYS 8 -2.074 15.018 -2.431 67 1HZ LYS 8 3HZ LYS 8 -2.746 13.450 -0.007 68 2HZ LYS 8 2HZ LYS 8 -2.338 15.098 0.031 69 3HZ LYS 8 1HZ LYS 8 -3.723 14.583 -0.807 70 H LEU 9 H LEU 9 -3.587 9.555 -6.213 71 HA LEU 9 HA LEU 9 -1.541 7.602 -6.669 72 1HB LEU 9 2HB LEU 9 -3.902 7.211 -5.775 73 2HB LEU 9 1HB LEU 9 -4.448 7.311 -7.448 74 HG LEU 9 HG LEU 9 -2.732 5.521 -7.996 75 1HD1 LEU 9 2HD1 LEU 9 -1.817 6.050 -5.444 76 2HD1 LEU 9 1HD1 LEU 9 -2.730 4.560 -5.215 77 3HD1 LEU 9 3HD1 LEU 9 -1.414 4.615 -6.386 78 1HD2 LEU 9 2HD2 LEU 9 -4.984 4.894 -6.062 79 2HD2 LEU 9 1HD2 LEU 9 -5.095 4.962 -7.822 80 3HD2 LEU 9 3HD2 LEU 9 -4.156 3.685 -7.045 81 H TRP 10 H TRP 10 -3.658 9.396 -8.894 82 HA TRP 10 HA TRP 10 -2.938 7.934 -11.254 83 1HB TRP 10 2HB TRP 10 -3.743 10.850 -11.124 84 2HB TRP 10 1HB TRP 10 -3.913 9.759 -12.497 85 HD1 TRP 10 HD1 TRP 10 -6.096 11.305 -10.285 86 HE1 TRP 10 HE1 TRP 10 -8.135 9.866 -9.642 87 HE3 TRP 10 HE3 TRP 10 -4.403 6.688 -11.682 88 HZ2 TRP 10 HZ2 TRP 10 -8.941 7.123 -9.708 89 HZ3 TRP 10 HZ3 TRP 10 -5.825 4.686 -11.377 90 HH2 TRP 10 HH2 TRP 10 -8.090 4.895 -10.392 91 H SER 11 H SER 11 -1.068 10.110 -9.359 92 HA SER 11 HA SER 11 0.669 10.780 -11.679 93 1HB SER 11 2HB SER 11 0.117 12.710 -10.366 94 2HB SER 11 1HB SER 11 0.504 11.874 -8.864 95 HG SER 11 HG SER 11 2.115 13.255 -10.496 96 H MET 12 H MET 12 0.589 8.800 -8.798 97 HA MET 12 HA MET 12 3.515 8.398 -8.846 98 1HB MET 12 2HB MET 12 3.201 7.043 -6.877 99 2HB MET 12 1HB MET 12 2.262 8.517 -6.698 100 1HG MET 12 2HG MET 12 0.453 7.243 -6.276 101 2HG MET 12 1HG MET 12 0.521 6.681 -7.942 102 1HE MET 12 2HE MET 12 1.845 6.414 -4.458 103 2HE MET 12 1HE MET 12 2.329 4.742 -4.206 104 3HE MET 12 3HE MET 12 3.373 5.839 -5.121 105 H VAL 13 H VAL 13 0.613 6.715 -9.905 106 HA VAL 13 HA VAL 13 2.142 4.265 -10.489 107 HB VAL 13 HB VAL 13 -0.643 4.683 -11.528 108 1HG1 VAL 13 2HG1 VAL 13 0.917 2.372 -10.344 109 2HG1 VAL 13 1HG1 VAL 13 -0.752 2.266 -10.904 110 3HG1 VAL 13 3HG1 VAL 13 0.541 2.624 -12.048 111 1HG2 VAL 13 3HG2 VAL 13 0.120 4.855 -8.705 112 2HG2 VAL 13 2HG2 VAL 13 -1.448 5.131 -9.455 113 3HG2 VAL 13 1HG2 VAL 13 -0.965 3.499 -9.007 114 H ASN 14 H ASN 14 1.711 7.235 -12.035 115 HA ASN 14 HA ASN 14 1.367 6.493 -14.760 116 1HB ASN 14 2HB ASN 14 2.063 8.859 -13.271 117 2HB ASN 14 1HB ASN 14 3.172 8.702 -14.631 118 1HD2 ASN 14 2HD2 ASN 14 0.241 8.604 -16.956 119 2HD2 ASN 14 1HD2 ASN 14 1.510 7.540 -16.585 120 H ASP 15 H ASP 15 4.058 6.088 -12.605 121 HA ASP 15 HA ASP 15 6.143 5.088 -12.914 122 1HB ASP 15 2HB ASP 15 5.119 4.290 -15.652 123 2HB ASP 15 1HB ASP 15 6.401 3.518 -14.722 124 H LYS 16 H LYS 16 5.671 7.882 -13.733 125 HA LYS 16 HA LYS 16 7.419 8.198 -16.100 126 1HB LYS 16 2HB LYS 16 5.274 9.664 -15.177 127 2HB LYS 16 1HB LYS 16 6.643 10.631 -14.629 128 1HG LYS 16 2HG LYS 16 7.558 10.280 -17.046 129 2HG LYS 16 1HG LYS 16 5.892 9.852 -17.440 130 1HD LYS 16 2HD LYS 16 5.342 12.083 -16.132 131 2HD LYS 16 1HD LYS 16 7.009 12.484 -16.541 132 1HE LYS 16 2HE LYS 16 6.194 11.581 -18.942 133 2HE LYS 16 1HE LYS 16 4.648 12.162 -18.323 134 1HZ LYS 16 1HZ LYS 16 6.014 14.239 -17.688 135 2HZ LYS 16 3HZ LYS 16 7.121 13.671 -18.841 136 3HZ LYS 16 2HZ LYS 16 5.525 14.032 -19.303 137 H SER 17 H SER 17 7.357 9.642 -12.814 138 HA SER 17 HA SER 17 10.245 10.152 -12.952 139 1HB SER 17 2HB SER 17 8.273 11.474 -11.695 140 2HB SER 17 1HB SER 17 8.759 10.408 -10.380 141 HG SER 17 HG SER 17 9.918 12.617 -11.113 142 H ASN 18 H ASN 18 8.057 7.913 -11.320 143 HA ASN 18 HA ASN 18 10.402 6.557 -10.073 144 1HB ASN 18 2HB ASN 18 8.441 5.142 -9.001 145 2HB ASN 18 1HB ASN 18 8.837 6.730 -8.357 146 1HD2 ASN 18 2HD2 ASN 18 5.523 7.809 -8.844 147 2HD2 ASN 18 1HD2 ASN 18 6.910 7.818 -7.872 148 H GLU 19 H GLU 19 10.220 6.338 -12.818 149 HA GLU 19 HA GLU 19 8.802 3.989 -13.715 150 1HB GLU 19 2HB GLU 19 10.330 4.179 -15.703 151 2HB GLU 19 1HB GLU 19 9.491 5.678 -15.318 152 1HG GLU 19 2HG GLU 19 11.460 6.742 -15.103 153 2HG GLU 19 1HG GLU 19 11.914 5.645 -13.799 154 H LYS 20 H LYS 20 9.393 2.365 -12.125 155 HA LYS 20 HA LYS 20 11.231 0.440 -12.806 156 1HB LYS 20 2HB LYS 20 12.618 2.713 -11.535 157 2HB LYS 20 1HB LYS 20 12.949 1.169 -10.751 158 1HG LYS 20 2HG LYS 20 13.031 0.795 -13.608 159 2HG LYS 20 1HG LYS 20 14.050 2.167 -13.184 160 1HD LYS 20 2HD LYS 20 14.242 -0.317 -11.524 161 2HD LYS 20 1HD LYS 20 15.016 -0.299 -13.108 162 1HE LYS 20 2HE LYS 20 16.072 1.927 -12.397 163 2HE LYS 20 1HE LYS 20 15.540 1.531 -10.763 164 1HZ LYS 20 3HZ LYS 20 17.155 -0.321 -12.414 165 2HZ LYS 20 2HZ LYS 20 17.854 0.817 -11.364 166 3HZ LYS 20 1HZ LYS 20 16.850 -0.408 -10.748 167 H PHE 21 H PHE 21 9.690 2.210 -10.196 168 HA PHE 21 HA PHE 21 9.839 -0.167 -8.425 169 1HB PHE 21 2HB PHE 21 8.621 2.552 -7.870 170 2HB PHE 21 1HB PHE 21 8.967 1.290 -6.691 171 HD1 PHE 21 HD1 PHE 21 11.484 0.408 -6.731 172 HD2 PHE 21 HD2 PHE 21 10.193 4.247 -8.165 173 HE1 PHE 21 HE1 PHE 21 13.792 1.277 -6.479 174 HE2 PHE 21 HE2 PHE 21 12.502 5.116 -7.912 175 HZ PHE 21 HZ PHE 21 14.303 3.632 -7.068 176 H ILE 22 H ILE 22 7.177 2.121 -9.142 177 HA ILE 22 HA ILE 22 5.264 -0.101 -8.830 178 HB ILE 22 HB ILE 22 4.844 2.060 -7.716 179 1HG1 ILE 22 2HG1 ILE 22 2.790 1.797 -9.908 180 2HG1 ILE 22 1HG1 ILE 22 2.989 0.524 -8.704 181 1HG2 ILE 22 2HG2 ILE 22 5.516 3.081 -10.351 182 2HG2 ILE 22 1HG2 ILE 22 3.956 3.709 -9.819 183 3HG2 ILE 22 3HG2 ILE 22 5.390 3.946 -8.821 184 1HD1 ILE 22 2HD1 ILE 22 2.930 2.708 -7.087 185 2HD1 ILE 22 1HD1 ILE 22 1.884 3.256 -8.397 186 3HD1 ILE 22 3HD1 ILE 22 1.495 1.779 -7.516 187 H HIS 23 H HIS 23 3.534 -0.422 -10.422 188 HA HIS 23 HA HIS 23 3.722 0.661 -13.092 189 1HB HIS 23 2HB HIS 23 5.679 -1.016 -12.938 190 2HB HIS 23 1HB HIS 23 4.436 -2.268 -12.905 191 HD1 HIS 23 HD1 HIS 23 4.016 -3.166 -15.190 192 HD2 HIS 23 HD2 HIS 23 4.931 0.900 -15.298 193 HE1 HIS 23 HE1 HIS 23 3.891 -2.467 -17.621 194 H TRP 24 H TRP 24 2.083 -0.393 -14.532 195 HA TRP 24 HA TRP 24 -0.271 -1.180 -12.944 196 1HB TRP 24 2HB TRP 24 0.191 -0.461 -15.839 197 2HB TRP 24 1HB TRP 24 -1.338 -1.157 -15.305 198 HD1 TRP 24 HD1 TRP 24 0.935 1.879 -14.641 199 HE1 TRP 24 HE1 TRP 24 -0.525 3.808 -13.749 200 HE3 TRP 24 HE3 TRP 24 -3.554 -0.525 -14.240 201 HZ2 TRP 24 HZ2 TRP 24 -3.239 4.269 -12.968 202 HZ3 TRP 24 HZ3 TRP 24 -5.557 0.682 -13.421 203 HH2 TRP 24 HH2 TRP 24 -5.405 3.075 -12.786 204 H SER 25 H SER 25 -1.653 -3.019 -13.974 205 HA SER 25 HA SER 25 0.093 -5.391 -14.173 206 1HB SER 25 2HB SER 25 -1.892 -5.403 -12.678 207 2HB SER 25 1HB SER 25 -2.931 -5.191 -14.084 208 HG SER 25 HG SER 25 -2.792 -7.374 -13.630 209 H THR 26 H THR 26 -2.602 -3.957 -16.044 210 HA THR 26 HA THR 26 -1.325 -4.923 -18.534 211 HB THR 26 HB THR 26 -4.211 -5.576 -17.860 212 HG1 THR 26 HG1 THR 26 -3.392 -7.254 -16.942 213 1HG2 THR 26 3HG2 THR 26 -2.597 -5.618 -20.310 214 2HG2 THR 26 2HG2 THR 26 -3.365 -7.168 -19.960 215 3HG2 THR 26 1HG2 THR 26 -4.348 -5.713 -20.114 216 H SER 27 H SER 27 -1.461 -2.305 -17.662 217 HA SER 27 HA SER 27 -2.107 -0.170 -18.378 218 1HB SER 27 2HB SER 27 -1.708 -1.261 -20.630 219 2HB SER 27 1HB SER 27 -3.432 -1.616 -20.691 220 HG SER 27 HG SER 27 -3.709 0.362 -21.313 221 H GLY 28 H GLY 28 -3.597 -0.529 -16.402 222 1HA GLY 28 2HA GLY 28 -5.693 0.380 -15.644 223 2HA GLY 28 1HA GLY 28 -6.365 0.105 -17.253 224 H GLU 29 H GLU 29 -5.465 -1.478 -14.225 225 HA GLU 29 HA GLU 29 -7.658 -3.325 -14.375 226 1HB GLU 29 2HB GLU 29 -5.182 -4.122 -15.691 227 2HB GLU 29 1HB GLU 29 -5.589 -5.230 -14.382 228 1HG GLU 29 2HG GLU 29 -7.785 -4.384 -16.226 229 2HG GLU 29 1HG GLU 29 -6.605 -5.550 -16.824 230 H SER 30 H SER 30 -4.290 -3.185 -13.154 231 HA SER 30 HA SER 30 -5.198 -2.898 -10.412 232 1HB SER 30 2HB SER 30 -4.614 -5.025 -9.541 233 2HB SER 30 1HB SER 30 -5.529 -5.390 -10.997 234 HG SER 30 HG SER 30 -2.976 -5.975 -10.382 235 H ILE 31 H ILE 31 -3.390 -2.553 -8.954 236 HA ILE 31 HA ILE 31 -0.985 -1.597 -10.383 237 HB ILE 31 HB ILE 31 -1.602 -1.400 -7.419 238 1HG1 ILE 31 2HG1 ILE 31 -2.077 0.797 -9.430 239 2HG1 ILE 31 1HG1 ILE 31 -3.339 -0.383 -9.086 240 1HG2 ILE 31 2HG2 ILE 31 0.466 -0.336 -9.270 241 2HG2 ILE 31 1HG2 ILE 31 -0.148 0.781 -8.052 242 3HG2 ILE 31 3HG2 ILE 31 0.588 -0.743 -7.558 243 1HD1 ILE 31 1HD1 ILE 31 -2.434 0.369 -6.557 244 2HD1 ILE 31 3HD1 ILE 31 -2.434 1.876 -7.473 245 3HD1 ILE 31 2HD1 ILE 31 -3.912 0.927 -7.338 246 H VAL 32 H VAL 32 1.193 -2.205 -9.535 247 HA VAL 32 HA VAL 32 1.236 -4.820 -8.101 248 HB VAL 32 HB VAL 32 2.774 -4.264 -10.657 249 1HG1 VAL 32 1HG1 VAL 32 3.827 -5.819 -8.986 250 2HG1 VAL 32 3HG1 VAL 32 2.391 -6.837 -9.101 251 3HG1 VAL 32 2HG1 VAL 32 3.417 -6.597 -10.514 252 1HG2 VAL 32 2HG2 VAL 32 0.319 -4.521 -11.018 253 2HG2 VAL 32 1HG2 VAL 32 1.238 -5.861 -11.704 254 3HG2 VAL 32 3HG2 VAL 32 0.382 -6.072 -10.177 255 H VAL 33 H VAL 33 2.906 -4.987 -6.657 256 HA VAL 33 HA VAL 33 5.062 -2.913 -6.786 257 HB VAL 33 HB VAL 33 3.752 -4.044 -4.289 258 1HG1 VAL 33 1HG1 VAL 33 5.901 -1.929 -4.676 259 2HG1 VAL 33 3HG1 VAL 33 5.117 -2.296 -3.139 260 3HG1 VAL 33 2HG1 VAL 33 6.118 -3.513 -3.932 261 1HG2 VAL 33 2HG2 VAL 33 3.585 -1.308 -5.592 262 2HG2 VAL 33 1HG2 VAL 33 2.275 -2.481 -5.463 263 3HG2 VAL 33 3HG2 VAL 33 2.917 -1.713 -4.010 264 HA PRO 34 HA PRO 34 6.974 -7.038 -6.786 265 1HB PRO 34 2HB PRO 34 9.207 -6.335 -8.214 266 2HB PRO 34 1HB PRO 34 7.691 -6.857 -8.969 267 1HG PRO 34 2HG PRO 34 8.854 -4.124 -8.787 268 2HG PRO 34 1HG PRO 34 7.733 -4.793 -9.986 269 1HD PRO 34 2HD PRO 34 7.046 -3.100 -7.825 270 2HD PRO 34 1HD PRO 34 5.916 -4.015 -8.843 271 H ASN 35 H ASN 35 8.325 -3.841 -6.155 272 HA ASN 35 HA ASN 35 9.972 -5.036 -3.966 273 1HB ASN 35 2HB ASN 35 10.790 -3.208 -6.179 274 2HB ASN 35 1HB ASN 35 11.485 -2.913 -4.586 275 1HD2 ASN 35 2HD2 ASN 35 12.964 -6.296 -4.525 276 2HD2 ASN 35 1HD2 ASN 35 11.971 -5.357 -3.520 277 H ARG 36 H ARG 36 8.265 -4.400 -2.496 278 HA ARG 36 HA ARG 36 7.546 -1.551 -2.325 279 1HB ARG 36 2HB ARG 36 6.015 -3.594 -1.806 280 2HB ARG 36 1HB ARG 36 6.852 -3.622 -0.253 281 1HG ARG 36 2HG ARG 36 6.241 -1.256 0.120 282 2HG ARG 36 1HG ARG 36 5.388 -1.238 -1.422 283 1HD ARG 36 2HD ARG 36 3.555 -1.962 -0.340 284 2HD ARG 36 1HD ARG 36 4.390 -3.486 -0.036 285 HE ARG 36 HE ARG 36 4.113 -1.248 1.881 286 1HH1 ARG 36 1HH2 ARG 36 6.895 -2.488 1.891 287 2HH1 ARG 36 2HH2 ARG 36 6.715 -3.710 3.106 288 1HH2 ARG 36 2HH1 ARG 36 3.250 -3.604 3.074 289 2HH2 ARG 36 1HH1 ARG 36 4.652 -4.341 3.776 290 H GLU 37 H GLU 37 9.808 -3.753 -0.845 291 HA GLU 37 HA GLU 37 10.288 -2.298 1.585 292 1HB GLU 37 2HB GLU 37 11.040 -4.660 1.106 293 2HB GLU 37 1HB GLU 37 12.282 -3.988 0.049 294 1HG GLU 37 2HG GLU 37 13.571 -3.306 1.793 295 2HG GLU 37 1HG GLU 37 12.182 -2.733 2.716 296 H ARG 38 H ARG 38 11.411 -1.882 -1.711 297 HA ARG 38 HA ARG 38 13.342 0.215 -0.848 298 1HB ARG 38 2HB ARG 38 14.135 -1.460 -2.485 299 2HB ARG 38 1HB ARG 38 12.824 -1.019 -3.578 300 1HG ARG 38 2HG ARG 38 13.714 1.228 -3.831 301 2HG ARG 38 1HG ARG 38 14.947 0.920 -2.606 302 1HD ARG 38 2HD ARG 38 14.851 -0.988 -4.882 303 2HD ARG 38 1HD ARG 38 15.417 0.643 -5.251 304 HE ARG 38 HE ARG 38 17.106 0.285 -3.381 305 1HH1 ARG 38 1HH2 ARG 38 17.406 -1.811 -1.991 306 2HH1 ARG 38 2HH2 ARG 38 17.857 -3.172 -2.962 307 1HH2 ARG 38 2HH1 ARG 38 16.882 -1.698 -5.947 308 2HH2 ARG 38 1HH1 ARG 38 17.559 -3.109 -5.204 309 H PHE 39 H PHE 39 10.432 -0.254 -2.829 310 HA PHE 39 HA PHE 39 10.183 2.329 -3.938 311 1HB PHE 39 2HB PHE 39 8.661 0.729 -4.755 312 2HB PHE 39 1HB PHE 39 8.206 0.196 -3.141 313 HD1 PHE 39 HD2 PHE 39 6.677 1.545 -1.752 314 HD2 PHE 39 HD1 PHE 39 7.602 2.657 -5.795 315 HE1 PHE 39 HE2 PHE 39 4.740 3.092 -1.769 316 HE2 PHE 39 HE1 PHE 39 5.667 4.207 -5.812 317 HZ PHE 39 HZ PHE 39 4.241 4.425 -3.797 318 H VAL 40 H VAL 40 8.809 1.141 -0.851 319 HA VAL 40 HA VAL 40 7.612 3.545 0.005 320 HB VAL 40 HB VAL 40 8.982 1.452 1.728 321 1HG1 VAL 40 3HG1 VAL 40 7.883 3.931 2.467 322 2HG1 VAL 40 2HG1 VAL 40 6.633 2.751 2.859 323 3HG1 VAL 40 1HG1 VAL 40 8.250 2.581 3.539 324 1HG2 VAL 40 1HG2 VAL 40 7.087 0.787 0.042 325 2HG2 VAL 40 3HG2 VAL 40 6.976 0.233 1.711 326 3HG2 VAL 40 2HG2 VAL 40 6.026 1.618 1.177 327 H GLN 41 H GLN 41 10.791 2.332 1.078 328 HA GLN 41 HA GLN 41 11.589 4.749 2.319 329 1HB GLN 41 2HB GLN 41 13.853 3.791 2.327 330 2HB GLN 41 1HB GLN 41 12.639 2.612 2.829 331 1HG GLN 41 2HG GLN 41 12.568 1.739 0.522 332 2HG GLN 41 1HG GLN 41 13.829 2.879 0.073 333 1HE2 GLN 41 2HE2 GLN 41 16.015 0.153 0.828 334 2HE2 GLN 41 1HE2 GLN 41 15.283 1.029 -0.428 335 H GLU 42 H GLU 42 11.351 4.156 -1.044 336 HA GLU 42 HA GLU 42 13.231 6.432 -1.541 337 1HB GLU 42 2HB GLU 42 12.684 3.963 -3.192 338 2HB GLU 42 1HB GLU 42 13.466 5.393 -3.866 339 1HG GLU 42 2HG GLU 42 14.506 4.247 -1.298 340 2HG GLU 42 1HG GLU 42 14.925 3.457 -2.820 341 H VAL 43 H VAL 43 9.991 5.917 -1.405 342 HA VAL 43 HA VAL 43 9.519 8.030 -3.419 343 HB VAL 43 HB VAL 43 8.010 5.396 -3.571 344 1HG1 VAL 43 1HG1 VAL 43 7.882 8.008 -5.087 345 2HG1 VAL 43 3HG1 VAL 43 7.292 6.502 -5.791 346 3HG1 VAL 43 2HG1 VAL 43 6.565 7.128 -4.312 347 1HG2 VAL 43 1HG2 VAL 43 10.200 6.583 -5.304 348 2HG2 VAL 43 3HG2 VAL 43 10.256 5.062 -4.414 349 3HG2 VAL 43 2HG2 VAL 43 9.183 5.232 -5.804 350 H LEU 44 H LEU 44 8.076 5.927 -0.923 351 HA LEU 44 HA LEU 44 5.600 7.245 -0.646 352 1HB LEU 44 2HB LEU 44 6.140 5.137 0.501 353 2HB LEU 44 1HB LEU 44 7.289 5.971 1.540 354 HG LEU 44 HG LEU 44 5.436 7.391 2.410 355 1HD1 LEU 44 1HD1 LEU 44 3.896 5.752 0.422 356 2HD1 LEU 44 3HD1 LEU 44 3.090 6.318 1.886 357 3HD1 LEU 44 2HD1 LEU 44 3.793 7.479 0.760 358 1HD2 LEU 44 2HD2 LEU 44 6.136 5.142 3.419 359 2HD2 LEU 44 1HD2 LEU 44 4.531 5.724 3.858 360 3HD2 LEU 44 3HD2 LEU 44 4.708 4.464 2.638 361 HA PRO 45 HA PRO 45 7.536 10.177 2.618 362 1HB PRO 45 2HB PRO 45 10.237 10.639 2.526 363 2HB PRO 45 1HB PRO 45 9.476 9.459 3.607 364 1HG PRO 45 2HG PRO 45 10.993 8.991 1.080 365 2HG PRO 45 1HG PRO 45 10.847 7.959 2.514 366 1HD PRO 45 2HD PRO 45 9.463 7.563 0.130 367 2HD PRO 45 1HD PRO 45 8.994 6.901 1.705 368 H LYS 46 H LYS 46 9.051 9.961 -0.577 369 HA LYS 46 HA LYS 46 9.542 12.763 -0.948 370 1HB LYS 46 2HB LYS 46 9.820 10.397 -2.469 371 2HB LYS 46 1HB LYS 46 8.737 11.425 -3.404 372 1HG LYS 46 2HG LYS 46 10.362 13.279 -3.243 373 2HG LYS 46 1HG LYS 46 11.448 12.242 -2.318 374 1HD LYS 46 2HD LYS 46 11.774 10.767 -4.174 375 2HD LYS 46 1HD LYS 46 10.452 11.506 -5.079 376 1HE LYS 46 2HE LYS 46 12.176 12.648 -6.071 377 2HE LYS 46 1HE LYS 46 11.972 13.695 -4.667 378 1HZ LYS 46 3HZ LYS 46 13.793 11.359 -4.665 379 2HZ LYS 46 2HZ LYS 46 14.298 12.913 -5.131 380 3HZ LYS 46 1HZ LYS 46 13.734 12.639 -3.553 381 H TYR 47 H TYR 47 6.651 10.894 -0.823 382 HA TYR 47 HA TYR 47 5.019 12.811 -2.331 383 1HB TYR 47 2HB TYR 47 4.398 10.277 -0.797 384 2HB TYR 47 1HB TYR 47 3.178 11.238 -1.615 385 HD1 TYR 47 HD2 TYR 47 6.507 10.965 -3.260 386 HD2 TYR 47 HD1 TYR 47 2.581 9.247 -2.880 387 HE1 TYR 47 HE2 TYR 47 6.858 9.682 -5.348 388 HE2 TYR 47 HE1 TYR 47 2.960 7.965 -4.939 389 HH TYR 47 HH TYR 47 5.223 7.093 -6.193 390 H PHE 48 H PHE 48 4.609 11.312 0.889 391 HA PHE 48 HA PHE 48 3.266 13.784 1.828 392 1HB PHE 48 2HB PHE 48 3.537 11.091 3.188 393 2HB PHE 48 1HB PHE 48 2.460 12.400 3.665 394 HD1 PHE 48 HD1 PHE 48 1.030 13.339 1.511 395 HD2 PHE 48 HD2 PHE 48 2.527 9.348 2.039 396 HE1 PHE 48 HE1 PHE 48 -0.691 12.486 -0.059 397 HE2 PHE 48 HE2 PHE 48 0.807 8.494 0.470 398 HZ PHE 48 HZ PHE 48 -0.801 10.064 -0.580 399 H LYS 49 H LYS 49 6.179 11.930 2.354 400 HA LYS 49 HA LYS 49 8.177 12.584 3.415 401 1HB LYS 49 2HB LYS 49 6.691 14.888 4.715 402 2HB LYS 49 1HB LYS 49 8.430 14.668 4.583 403 1HG LYS 49 2HG LYS 49 8.366 14.953 2.187 404 2HG LYS 49 1HG LYS 49 6.605 14.955 2.180 405 1HD LYS 49 2HD LYS 49 8.157 16.981 3.787 406 2HD LYS 49 1HD LYS 49 7.800 17.246 2.080 407 1HE LYS 49 2HE LYS 49 5.536 16.395 3.822 408 2HE LYS 49 1HE LYS 49 6.126 18.044 4.019 409 1HZ LYS 49 1HZ LYS 49 5.913 18.302 1.581 410 2HZ LYS 49 3HZ LYS 49 5.176 16.776 1.511 411 3HZ LYS 49 2HZ LYS 49 4.430 18.040 2.367 412 H HIS 50 H HIS 50 5.481 13.343 5.675 413 HA HIS 50 HA HIS 50 6.768 11.486 7.612 414 1HB HIS 50 2HB HIS 50 4.766 13.732 7.970 415 2HB HIS 50 1HB HIS 50 5.228 12.632 9.269 416 HD1 HIS 50 HD1 HIS 50 6.174 15.777 7.792 417 HD2 HIS 50 HD2 HIS 50 8.248 12.654 9.613 418 HE1 HIS 50 HE1 HIS 50 8.440 16.704 8.442 419 H SER 51 H SER 51 5.676 9.893 5.898 420 HA SER 51 HA SER 51 3.057 9.104 7.091 421 1HB SER 51 2HB SER 51 2.804 10.268 4.831 422 2HB SER 51 1HB SER 51 3.641 8.885 4.131 423 HG SER 51 HG SER 51 1.611 8.207 4.062 424 H ASN 52 H ASN 52 2.547 6.740 6.268 425 HA ASN 52 HA ASN 52 5.058 5.165 5.999 426 1HB ASN 52 2HB ASN 52 3.091 5.080 8.252 427 2HB ASN 52 1HB ASN 52 3.823 3.563 7.727 428 1HD2 ASN 52 2HD2 ASN 52 5.970 5.681 10.221 429 2HD2 ASN 52 1HD2 ASN 52 4.277 5.573 10.165 430 H PHE 53 H PHE 53 4.627 2.918 5.319 431 HA PHE 53 HA PHE 53 2.886 2.687 3.126 432 1HB PHE 53 2HB PHE 53 3.225 0.233 3.338 433 2HB PHE 53 1HB PHE 53 4.736 1.125 3.499 434 HD1 PHE 53 HD2 PHE 53 2.170 -0.837 5.267 435 HD2 PHE 53 HD1 PHE 53 5.872 1.304 5.666 436 HE1 PHE 53 HE2 PHE 53 2.517 -1.853 7.502 437 HE2 PHE 53 HE1 PHE 53 6.219 0.288 7.902 438 HZ PHE 53 HZ PHE 53 4.540 -1.290 8.821 439 H ALA 54 H ALA 54 2.281 1.948 6.525 440 HA ALA 54 HA ALA 54 -0.208 0.588 6.210 441 1HB ALA 54 1HB ALA 54 1.363 1.102 8.329 442 2HB ALA 54 3HB ALA 54 0.165 2.375 8.565 443 3HB ALA 54 2HB ALA 54 -0.341 0.686 8.505 444 H SER 55 H SER 55 0.539 4.048 6.647 445 HA SER 55 HA SER 55 -2.141 4.998 6.772 446 1HB SER 55 2HB SER 55 0.525 6.150 6.245 447 2HB SER 55 1HB SER 55 -0.809 7.040 5.513 448 HG SER 55 HG SER 55 -0.940 7.833 7.469 449 H PHE 56 H PHE 56 0.001 4.419 3.999 450 HA PHE 56 HA PHE 56 -1.684 5.439 1.945 451 1HB PHE 56 2HB PHE 56 0.726 4.699 1.714 452 2HB PHE 56 1HB PHE 56 0.150 3.035 1.733 453 HD1 PHE 56 HD2 PHE 56 -1.176 6.149 0.117 454 HD2 PHE 56 HD1 PHE 56 0.289 2.150 -0.422 455 HE1 PHE 56 HE2 PHE 56 -1.656 6.304 -2.311 456 HE2 PHE 56 HE1 PHE 56 -0.190 2.302 -2.850 457 HZ PHE 56 HZ PHE 56 -1.163 4.379 -3.796 458 H VAL 57 H VAL 57 -1.368 2.101 3.141 459 HA VAL 57 HA VAL 57 -3.433 0.960 1.554 460 HB VAL 57 HB VAL 57 -2.568 0.104 4.334 461 1HG1 VAL 57 3HG1 VAL 57 -4.156 -1.141 2.117 462 2HG1 VAL 57 2HG1 VAL 57 -3.141 -2.179 3.117 463 3HG1 VAL 57 1HG1 VAL 57 -4.419 -1.218 3.859 464 1HG2 VAL 57 2HG2 VAL 57 -0.864 0.410 2.248 465 2HG2 VAL 57 1HG2 VAL 57 -0.698 -0.883 3.433 466 3HG2 VAL 57 3HG2 VAL 57 -1.484 -1.199 1.888 467 H ARG 58 H ARG 58 -3.574 2.965 4.402 468 HA ARG 58 HA ARG 58 -6.221 2.181 5.265 469 1HB ARG 58 2HB ARG 58 -4.248 3.678 6.379 470 2HB ARG 58 1HB ARG 58 -5.307 4.957 5.788 471 1HG ARG 58 2HG ARG 58 -7.090 4.293 7.139 472 2HG ARG 58 1HG ARG 58 -6.492 2.641 7.289 473 1HD ARG 58 2HD ARG 58 -4.514 3.619 8.579 474 2HD ARG 58 1HD ARG 58 -5.422 5.128 8.640 475 HE ARG 58 HE ARG 58 -6.208 2.593 9.984 476 1HH1 ARG 58 1HH2 ARG 58 -8.515 4.312 9.001 477 2HH1 ARG 58 2HH2 ARG 58 -8.839 5.277 10.402 478 1HH2 ARG 58 2HH1 ARG 58 -5.817 4.536 11.934 479 2HH2 ARG 58 1HH1 ARG 58 -7.309 5.405 12.064 480 H GLN 59 H GLN 59 -4.970 4.840 3.241 481 HA GLN 59 HA GLN 59 -7.527 6.046 2.723 482 1HB GLN 59 2HB GLN 59 -4.845 6.125 1.359 483 2HB GLN 59 1HB GLN 59 -6.238 6.914 0.624 484 1HG GLN 59 2HG GLN 59 -5.191 7.450 3.422 485 2HG GLN 59 1HG GLN 59 -4.933 8.488 2.020 486 1HE2 GLN 59 2HE2 GLN 59 -8.451 9.466 1.898 487 2HE2 GLN 59 1HE2 GLN 59 -7.207 8.996 0.842 488 H LEU 60 H LEU 60 -5.561 3.766 0.784 489 HA LEU 60 HA LEU 60 -7.414 3.506 -1.369 490 1HB LEU 60 2HB LEU 60 -5.302 1.615 -0.306 491 2HB LEU 60 1HB LEU 60 -6.203 1.323 -1.787 492 HG LEU 60 HG LEU 60 -4.737 3.919 -1.344 493 1HD1 LEU 60 1HD1 LEU 60 -3.676 1.274 -2.346 494 2HD1 LEU 60 3HD1 LEU 60 -2.950 2.806 -2.829 495 3HD1 LEU 60 2HD1 LEU 60 -2.976 2.339 -1.128 496 1HD2 LEU 60 3HD2 LEU 60 -6.458 3.703 -3.155 497 2HD2 LEU 60 2HD2 LEU 60 -4.840 4.029 -3.774 498 3HD2 LEU 60 1HD2 LEU 60 -5.502 2.397 -3.854 499 H ASN 61 H ASN 61 -7.225 1.898 1.756 500 HA ASN 61 HA ASN 61 -9.143 -0.178 1.109 501 1HB ASN 61 2HB ASN 61 -7.748 0.788 3.553 502 2HB ASN 61 1HB ASN 61 -9.265 -0.079 3.799 503 1HD2 ASN 61 2HD2 ASN 61 -7.908 -3.051 2.056 504 2HD2 ASN 61 1HD2 ASN 61 -9.277 -2.058 1.923 505 H MET 62 H MET 62 -9.359 3.104 2.345 506 HA MET 62 HA MET 62 -12.177 2.803 3.105 507 1HB MET 62 2HB MET 62 -10.160 5.012 3.165 508 2HB MET 62 1HB MET 62 -11.872 5.439 3.201 509 1HG MET 62 2HG MET 62 -10.816 3.301 5.034 510 2HG MET 62 1HG MET 62 -10.636 5.002 5.463 511 1HE MET 62 1HE MET 62 -12.261 2.069 5.852 512 2HE MET 62 3HE MET 62 -13.957 2.329 6.279 513 3HE MET 62 2HE MET 62 -13.485 2.162 4.590 514 H TYR 63 H TYR 63 -10.782 2.887 0.123 515 HA TYR 63 HA TYR 63 -12.976 4.566 -1.007 516 1HB TYR 63 2HB TYR 63 -10.183 3.989 -1.993 517 2HB TYR 63 1HB TYR 63 -11.436 4.610 -3.069 518 HD1 TYR 63 HD2 TYR 63 -12.941 6.522 -1.617 519 HD2 TYR 63 HD1 TYR 63 -8.742 5.676 -1.297 520 HE1 TYR 63 HE2 TYR 63 -12.549 8.809 -0.744 521 HE2 TYR 63 HE1 TYR 63 -8.349 7.967 -0.426 522 HH TYR 63 HH TYR 63 -10.787 9.946 0.709 523 H GLY 64 H GLY 64 -11.284 1.445 -1.269 524 1HA GLY 64 2HA GLY 64 -13.331 -0.207 -1.873 525 2HA GLY 64 1HA GLY 64 -13.119 0.594 -3.426 526 H TRP 65 H TRP 65 -10.080 0.711 -2.685 527 HA TRP 65 HA TRP 65 -9.385 -1.713 -4.120 528 1HB TRP 65 2HB TRP 65 -7.626 0.247 -2.608 529 2HB TRP 65 1HB TRP 65 -7.039 -1.018 -3.687 530 HD1 TRP 65 HD1 TRP 65 -9.034 2.253 -3.718 531 HE1 TRP 65 HE1 TRP 65 -9.010 3.204 -6.114 532 HE3 TRP 65 HE3 TRP 65 -6.735 -1.589 -6.171 533 HZ2 TRP 65 HZ2 TRP 65 -8.137 2.436 -8.727 534 HZ3 TRP 65 HZ3 TRP 65 -6.320 -1.454 -8.609 535 HH2 TRP 65 HH2 TRP 65 -7.016 0.551 -9.890 536 H HIS 66 H HIS 66 -8.114 -3.480 -3.293 537 HA HIS 66 HA HIS 66 -7.775 -3.762 -0.384 538 1HB HIS 66 2HB HIS 66 -9.614 -5.604 -1.949 539 2HB HIS 66 1HB HIS 66 -9.101 -5.856 -0.280 540 HD1 HIS 66 HD1 HIS 66 -11.493 -3.949 -2.368 541 HD2 HIS 66 HD2 HIS 66 -10.150 -3.874 1.577 542 HE1 HIS 66 HE1 HIS 66 -13.127 -2.501 -1.082 543 H LYS 67 H LYS 67 -6.749 -6.003 0.064 544 HA LYS 67 HA LYS 67 -4.600 -6.411 -1.876 545 1HB LYS 67 2HB LYS 67 -5.250 -7.386 0.862 546 2HB LYS 67 1HB LYS 67 -4.241 -8.437 -0.132 547 1HG LYS 67 2HG LYS 67 -2.675 -7.045 0.945 548 2HG LYS 67 1HG LYS 67 -2.873 -6.288 -0.636 549 1HD LYS 67 2HD LYS 67 -3.132 -4.439 0.739 550 2HD LYS 67 1HD LYS 67 -4.809 -4.968 0.602 551 1HE LYS 67 2HE LYS 67 -3.889 -6.489 2.715 552 2HE LYS 67 1HE LYS 67 -3.033 -4.965 2.945 553 1HZ LYS 67 1HZ LYS 67 -5.912 -4.956 2.336 554 2HZ LYS 67 3HZ LYS 67 -5.390 -5.261 3.921 555 3HZ LYS 67 2HZ LYS 67 -4.986 -3.796 3.159 556 H VAL 68 H VAL 68 -4.178 -8.431 -2.968 557 HA VAL 68 HA VAL 68 -6.467 -10.329 -3.120 558 HB VAL 68 HB VAL 68 -6.747 -8.700 -4.959 559 1HG1 VAL 68 1HG1 VAL 68 -4.145 -8.348 -5.018 560 2HG1 VAL 68 3HG1 VAL 68 -4.181 -9.673 -6.181 561 3HG1 VAL 68 2HG1 VAL 68 -5.077 -8.190 -6.506 562 1HG2 VAL 68 3HG2 VAL 68 -6.922 -11.389 -5.162 563 2HG2 VAL 68 2HG2 VAL 68 -7.295 -10.308 -6.504 564 3HG2 VAL 68 1HG2 VAL 68 -5.713 -11.084 -6.410 565 H GLN 69 H GLN 69 -5.832 -12.465 -3.625 566 HA GLN 69 HA GLN 69 -3.102 -13.083 -4.456 567 1HB GLN 69 2HB GLN 69 -3.853 -13.053 -1.606 568 2HB GLN 69 1HB GLN 69 -3.144 -14.580 -2.131 569 1HG GLN 69 2HG GLN 69 -1.087 -13.660 -2.458 570 2HG GLN 69 1HG GLN 69 -1.752 -12.175 -3.138 571 1HE2 GLN 69 2HE2 GLN 69 -0.969 -12.397 0.869 572 2HE2 GLN 69 1HE2 GLN 69 -0.895 -13.792 -0.095 573 H ASP 70 H ASP 70 -5.368 -14.889 -2.374 574 HA ASP 70 HA ASP 70 -6.678 -16.348 -4.436 575 1HB ASP 70 2HB ASP 70 -4.016 -17.121 -4.235 576 2HB ASP 70 1HB ASP 70 -4.848 -18.317 -3.241 577 H VAL 71 H VAL 71 -7.039 -18.820 -3.194 578 HA VAL 71 HA VAL 71 -8.307 -17.976 -0.629 579 HB VAL 71 HB VAL 71 -9.704 -20.026 -0.915 580 1HG1 VAL 71 1HG1 VAL 71 -10.337 -17.753 -1.834 581 2HG1 VAL 71 3HG1 VAL 71 -9.726 -18.293 -3.398 582 3HG1 VAL 71 2HG1 VAL 71 -11.096 -19.117 -2.653 583 1HG2 VAL 71 3HG2 VAL 71 -7.964 -21.244 -2.293 584 2HG2 VAL 71 2HG2 VAL 71 -9.594 -21.302 -2.963 585 3HG2 VAL 71 1HG2 VAL 71 -8.400 -20.200 -3.647 586 H LYS 72 H LYS 72 -5.450 -18.708 -0.944 587 HA LYS 72 HA LYS 72 -5.396 -20.845 1.121 588 1HB LYS 72 2HB LYS 72 -3.641 -20.848 -1.356 589 2HB LYS 72 1HB LYS 72 -3.575 -22.015 -0.033 590 1HG LYS 72 2HG LYS 72 -6.087 -22.426 -0.555 591 2HG LYS 72 1HG LYS 72 -5.744 -21.628 -2.092 592 1HD LYS 72 2HD LYS 72 -3.672 -23.321 -2.069 593 2HD LYS 72 1HD LYS 72 -4.779 -24.260 -1.066 594 1HE LYS 72 2HE LYS 72 -6.499 -23.597 -3.002 595 2HE LYS 72 1HE LYS 72 -5.011 -23.492 -3.944 596 1HZ LYS 72 2HZ LYS 72 -5.437 -25.836 -2.229 597 2HZ LYS 72 1HZ LYS 72 -6.277 -25.743 -3.703 598 3HZ LYS 72 3HZ LYS 72 -4.582 -25.707 -3.691 599 H SER 73 H SER 73 -4.511 -19.683 2.780 600 HA SER 73 HA SER 73 -2.564 -17.557 2.320 601 1HB SER 73 2HB SER 73 -4.036 -18.684 4.627 602 2HB SER 73 1HB SER 73 -2.453 -18.009 5.005 603 HG SER 73 HG SER 73 -3.114 -16.087 3.979 604 H GLY 74 H GLY 74 -2.243 -20.321 4.557 605 1HA GLY 74 2HA GLY 74 -0.421 -21.740 4.976 606 2HA GLY 74 1HA GLY 74 0.057 -21.474 3.298 607 H SER 75 H SER 75 -0.304 -18.997 5.804 608 HA SER 75 HA SER 75 1.197 -17.337 6.505 609 1HB SER 75 2HB SER 75 3.528 -18.398 7.101 610 2HB SER 75 1HB SER 75 2.099 -18.844 8.024 611 HG SER 75 HG SER 75 2.596 -20.797 7.436 612 H MET 76 H MET 76 1.395 -16.044 4.640 613 HA MET 76 HA MET 76 3.729 -16.664 2.879 614 1HB MET 76 2HB MET 76 1.033 -15.562 2.369 615 2HB MET 76 1HB MET 76 2.343 -14.711 1.548 616 1HG MET 76 2HG MET 76 3.065 -16.678 0.428 617 2HG MET 76 1HG MET 76 2.113 -17.722 1.485 618 1HE MET 76 1HE MET 76 1.859 -18.467 -1.251 619 2HE MET 76 3HE MET 76 0.804 -17.589 -2.365 620 3HE MET 76 2HE MET 76 2.364 -16.912 -1.906 621 H LEU 77 H LEU 77 3.795 -15.302 5.521 622 HA LEU 77 HA LEU 77 4.316 -12.474 4.885 623 1HB LEU 77 2HB LEU 77 4.352 -14.150 7.382 624 2HB LEU 77 1HB LEU 77 5.185 -12.596 7.369 625 HG LEU 77 HG LEU 77 2.983 -11.645 6.399 626 1HD1 LEU 77 1HD1 LEU 77 2.081 -14.331 7.474 627 2HD1 LEU 77 3HD1 LEU 77 0.981 -12.980 7.197 628 3HD1 LEU 77 2HD1 LEU 77 1.853 -13.699 5.843 629 1HD2 LEU 77 3HD2 LEU 77 3.160 -12.695 9.242 630 2HD2 LEU 77 2HD2 LEU 77 3.738 -11.134 8.661 631 3HD2 LEU 77 1HD2 LEU 77 2.007 -11.474 8.702 632 H SER 78 H SER 78 6.188 -15.304 5.987 633 HA SER 78 HA SER 78 8.472 -15.789 5.816 634 1HB SER 78 2HB SER 78 8.018 -15.619 3.414 635 2HB SER 78 1HB SER 78 8.232 -13.873 3.479 636 HG SER 78 HG SER 78 10.090 -15.342 2.859 637 H ASN 79 H ASN 79 7.484 -13.276 7.311 638 HA ASN 79 HA ASN 79 8.438 -11.518 8.507 639 1HB ASN 79 2HB ASN 79 9.932 -13.281 9.306 640 2HB ASN 79 1HB ASN 79 10.959 -13.092 7.892 641 1HD2 ASN 79 2HD2 ASN 79 12.672 -11.104 10.447 642 2HD2 ASN 79 1HD2 ASN 79 12.452 -12.733 10.024 643 H ASN 80 H ASN 80 11.360 -11.773 6.500 644 HA ASN 80 HA ASN 80 10.848 -9.032 5.539 645 1HB ASN 80 2HB ASN 80 13.243 -10.848 5.127 646 2HB ASN 80 1HB ASN 80 13.162 -9.133 4.716 647 1HD2 ASN 80 2HD2 ASN 80 14.288 -10.080 8.391 648 2HD2 ASN 80 1HD2 ASN 80 14.385 -11.110 7.045 649 H ASP 81 H ASP 81 9.542 -8.931 3.766 650 HA ASP 81 HA ASP 81 10.384 -10.101 1.272 651 1HB ASP 81 2HB ASP 81 9.023 -11.915 2.811 652 2HB ASP 81 1HB ASP 81 7.702 -11.186 1.897 653 H SER 82 H SER 82 9.003 -9.409 -0.501 654 HA SER 82 HA SER 82 6.784 -7.569 0.141 655 1HB SER 82 2HB SER 82 9.010 -6.560 -1.623 656 2HB SER 82 1HB SER 82 7.733 -5.643 -0.826 657 HG SER 82 HG SER 82 9.008 -5.460 0.824 658 H ARG 83 H ARG 83 5.380 -8.859 -1.056 659 HA ARG 83 HA ARG 83 5.638 -8.682 -3.976 660 1HB ARG 83 2HB ARG 83 6.514 -11.023 -2.606 661 2HB ARG 83 1HB ARG 83 4.997 -11.437 -3.401 662 1HG ARG 83 2HG ARG 83 7.237 -9.996 -4.838 663 2HG ARG 83 1HG ARG 83 7.113 -11.757 -4.797 664 1HD ARG 83 2HD ARG 83 4.787 -11.555 -5.716 665 2HD ARG 83 1HD ARG 83 5.055 -9.821 -5.895 666 HE ARG 83 HE ARG 83 7.043 -10.553 -7.396 667 1HH1 ARG 83 2HH1 ARG 83 5.313 -13.268 -6.648 668 2HH1 ARG 83 1HH1 ARG 83 4.872 -13.681 -8.271 669 1HH2 ARG 83 1HH2 ARG 83 5.984 -10.685 -9.617 670 2HH2 ARG 83 2HH2 ARG 83 5.252 -12.219 -9.952 671 H TRP 84 H TRP 84 3.674 -7.582 -4.037 672 HA TRP 84 HA TRP 84 1.291 -9.208 -3.807 673 1HB TRP 84 2HB TRP 84 0.104 -7.977 -2.111 674 2HB TRP 84 1HB TRP 84 1.641 -8.488 -1.429 675 HD1 TRP 84 HD1 TRP 84 3.010 -5.952 -3.284 676 HE1 TRP 84 HE1 TRP 84 2.989 -3.635 -2.144 677 HE3 TRP 84 HE3 TRP 84 -0.542 -6.770 0.278 678 HZ2 TRP 84 HZ2 TRP 84 1.633 -2.312 0.001 679 HZ3 TRP 84 HZ3 TRP 84 -1.180 -4.969 1.858 680 HH2 TRP 84 HH2 TRP 84 -0.097 -2.743 1.722 681 H GLU 85 H GLU 85 -0.689 -7.977 -4.520 682 HA GLU 85 HA GLU 85 0.018 -5.592 -6.172 683 1HB GLU 85 2HB GLU 85 -1.669 -7.933 -7.113 684 2HB GLU 85 1HB GLU 85 -1.267 -6.495 -8.048 685 1HG GLU 85 2HG GLU 85 0.550 -7.602 -8.797 686 2HG GLU 85 1HG GLU 85 1.216 -7.463 -7.171 687 H PHE 86 H PHE 86 -1.590 -4.032 -6.255 688 HA PHE 86 HA PHE 86 -3.831 -4.339 -4.366 689 1HB PHE 86 2HB PHE 86 -2.784 -2.038 -6.023 690 2HB PHE 86 1HB PHE 86 -4.274 -1.919 -5.094 691 HD1 PHE 86 HD2 PHE 86 -0.782 -3.229 -4.549 692 HD2 PHE 86 HD1 PHE 86 -4.072 -0.935 -3.024 693 HE1 PHE 86 HE2 PHE 86 0.517 -2.734 -2.498 694 HE2 PHE 86 HE1 PHE 86 -2.771 -0.434 -0.970 695 HZ PHE 86 HZ PHE 86 -0.475 -1.335 -0.708 696 H GLU 87 H GLU 87 -5.993 -4.513 -4.985 697 HA GLU 87 HA GLU 87 -6.808 -4.023 -7.756 698 1HB GLU 87 2HB GLU 87 -5.784 -6.323 -7.817 699 2HB GLU 87 1HB GLU 87 -7.016 -6.843 -6.665 700 1HG GLU 87 2HG GLU 87 -8.782 -6.127 -8.257 701 2HG GLU 87 1HG GLU 87 -7.532 -5.681 -9.419 702 H ASN 88 H ASN 88 -9.061 -3.832 -7.944 703 HA ASN 88 HA ASN 88 -10.596 -4.135 -5.392 704 1HB ASN 88 2HB ASN 88 -12.022 -2.263 -6.219 705 2HB ASN 88 1HB ASN 88 -10.344 -1.771 -5.987 706 1HD2 ASN 88 2HD2 ASN 88 -11.991 -1.454 -9.642 707 2HD2 ASN 88 1HD2 ASN 88 -12.899 -1.822 -8.256 708 H GLU 89 H GLU 89 -11.997 -5.802 -5.568 709 HA GLU 89 HA GLU 89 -13.135 -6.410 -8.269 710 1HB GLU 89 2HB GLU 89 -11.692 -8.112 -6.789 711 2HB GLU 89 1HB GLU 89 -13.266 -8.407 -6.053 712 1HG GLU 89 2HG GLU 89 -13.909 -9.647 -7.819 713 2HG GLU 89 1HG GLU 89 -13.574 -8.313 -8.922 714 H ARG 90 H ARG 90 -13.976 -6.572 -4.790 715 HA ARG 90 HA ARG 90 -16.796 -6.839 -5.217 716 1HB ARG 90 2HB ARG 90 -16.986 -6.094 -2.840 717 2HB ARG 90 1HB ARG 90 -15.796 -7.377 -3.057 718 1HG ARG 90 2HG ARG 90 -14.261 -5.129 -3.448 719 2HG ARG 90 1HG ARG 90 -15.407 -4.571 -2.229 720 1HD ARG 90 2HD ARG 90 -13.668 -7.048 -2.043 721 2HD ARG 90 1HD ARG 90 -13.450 -5.552 -1.135 722 HE ARG 90 HE ARG 90 -16.008 -7.035 -0.822 723 1HH1 ARG 90 1HH2 ARG 90 -15.642 -4.904 1.062 724 2HH1 ARG 90 2HH2 ARG 90 -14.859 -5.647 2.416 725 1HH2 ARG 90 2HH1 ARG 90 -13.843 -8.442 0.630 726 2HH2 ARG 90 1HH1 ARG 90 -13.841 -7.652 2.172 727 H HIS 91 H HIS 91 -18.120 -4.870 -3.920 728 HA HIS 91 HA HIS 91 -17.964 -2.652 -5.822 729 1HB HIS 91 2HB HIS 91 -19.965 -3.799 -4.174 730 2HB HIS 91 1HB HIS 91 -19.749 -2.150 -3.589 731 HD1 HIS 91 HD1 HIS 91 -19.540 -3.471 -7.162 732 HD2 HIS 91 HD2 HIS 91 -21.755 -0.759 -4.901 733 HE1 HIS 91 HE1 HIS 91 -21.079 -2.278 -8.781 734 H ALA 92 HN ALA 92 -18.000 -2.729 -2.234 735 HA ALA 92 HA ALA 92 -15.616 -1.189 -1.911 736 1HB ALA 92 2HB ALA 92 -18.211 0.352 -2.032 737 2HB ALA 92 1HB ALA 92 -16.829 0.945 -1.109 738 3HB ALA 92 3HB ALA 92 -16.690 0.703 -2.850 No H/Q in entry = 738 Start of MODEL 29 Raw file had 756 H/Q atoms Start of MODEL 29 1 1H ALA 1 3H ALA 1 -17.918 13.267 -8.466 2 2H ALA 1 2H ALA 1 -18.968 12.347 -7.498 3 3H ALA 1 1H ALA 1 -17.895 13.453 -6.780 4 HA ALA 1 HA ALA 1 -16.957 11.328 -6.443 5 1HB ALA 1 1HB ALA 1 -18.387 10.310 -8.298 6 2HB ALA 1 3HB ALA 1 -17.157 10.877 -9.427 7 3HB ALA 1 2HB ALA 1 -16.735 9.701 -8.183 8 H ARG 2 H ARG 2 -15.264 12.860 -5.966 9 HA ARG 2 HA ARG 2 -13.093 12.815 -7.953 10 1HB ARG 2 2HB ARG 2 -14.797 15.072 -7.758 11 2HB ARG 2 1HB ARG 2 -13.294 15.531 -6.963 12 1HG ARG 2 2HG ARG 2 -12.533 15.967 -9.055 13 2HG ARG 2 1HG ARG 2 -12.377 14.217 -9.210 14 1HD ARG 2 2HD ARG 2 -13.675 14.765 -11.083 15 2HD ARG 2 1HD ARG 2 -14.902 14.313 -9.900 16 HE ARG 2 HE ARG 2 -15.545 16.605 -9.744 17 1HH1 ARG 2 1HH2 ARG 2 -13.235 18.211 -9.497 18 2HH1 ARG 2 2HH2 ARG 2 -12.981 18.899 -11.066 19 1HH2 ARG 2 2HH1 ARG 2 -14.993 16.592 -12.694 20 2HH2 ARG 2 1HH1 ARG 2 -13.976 17.982 -12.876 21 HA PRO 3 HA PRO 3 -11.575 12.717 -3.688 22 1HB PRO 3 2HB PRO 3 -10.025 10.464 -3.882 23 2HB PRO 3 1HB PRO 3 -11.748 10.428 -3.470 24 1HG PRO 3 2HG PRO 3 -10.414 9.703 -6.034 25 2HG PRO 3 1HG PRO 3 -11.936 9.104 -5.350 26 1HD PRO 3 2HD PRO 3 -11.698 11.021 -7.400 27 2HD PRO 3 1HD PRO 3 -13.162 10.683 -6.457 28 H ALA 4 H ALA 4 -9.883 14.116 -3.366 29 HA ALA 4 HA ALA 4 -7.922 14.727 -5.353 30 1HB ALA 4 1HB ALA 4 -7.938 15.223 -2.362 31 2HB ALA 4 3HB ALA 4 -6.731 15.890 -3.461 32 3HB ALA 4 2HB ALA 4 -8.426 16.348 -3.630 33 H PHE 5 H PHE 5 -8.022 12.301 -2.827 34 HA PHE 5 HA PHE 5 -5.215 11.720 -2.696 35 1HB PHE 5 2HB PHE 5 -6.948 10.879 -1.074 36 2HB PHE 5 1HB PHE 5 -7.508 9.770 -2.325 37 HD1 PHE 5 HD2 PHE 5 -4.463 10.778 -0.411 38 HD2 PHE 5 HD1 PHE 5 -6.432 7.698 -2.665 39 HE1 PHE 5 HE2 PHE 5 -2.658 9.188 0.188 40 HE2 PHE 5 HE1 PHE 5 -4.624 6.106 -2.068 41 HZ PHE 5 HZ PHE 5 -2.737 6.852 -0.641 42 H VAL 6 H VAL 6 -7.827 10.050 -4.527 43 HA VAL 6 HA VAL 6 -6.044 8.371 -6.001 44 HB VAL 6 HB VAL 6 -8.706 9.391 -7.018 45 1HG1 VAL 6 1HG1 VAL 6 -7.079 8.005 -8.467 46 2HG1 VAL 6 3HG1 VAL 6 -7.437 6.670 -7.371 47 3HG1 VAL 6 2HG1 VAL 6 -8.730 7.403 -8.316 48 1HG2 VAL 6 1HG2 VAL 6 -8.031 7.331 -4.915 49 2HG2 VAL 6 3HG2 VAL 6 -9.252 8.601 -4.857 50 3HG2 VAL 6 2HG2 VAL 6 -9.502 7.186 -5.879 51 H ASN 7 H ASN 7 -6.893 11.742 -6.376 52 HA ASN 7 HA ASN 7 -6.169 12.042 -9.140 53 1HB ASN 7 2HB ASN 7 -6.265 13.944 -6.797 54 2HB ASN 7 1HB ASN 7 -5.665 14.469 -8.368 55 1HD2 ASN 7 2HD2 ASN 7 -8.954 15.076 -9.448 56 2HD2 ASN 7 1HD2 ASN 7 -7.334 15.578 -9.402 57 H LYS 8 H LYS 8 -4.301 12.369 -6.110 58 HA LYS 8 HA LYS 8 -1.808 12.918 -7.485 59 1HB LYS 8 2HB LYS 8 -0.870 13.116 -5.374 60 2HB LYS 8 1HB LYS 8 -2.560 13.343 -4.952 61 1HG LYS 8 2HG LYS 8 -2.669 10.861 -4.444 62 2HG LYS 8 1HG LYS 8 -0.924 10.804 -4.665 63 1HD LYS 8 2HD LYS 8 -2.257 12.708 -2.726 64 2HD LYS 8 1HD LYS 8 -1.719 11.094 -2.257 65 1HE LYS 8 2HE LYS 8 0.543 11.602 -2.616 66 2HE LYS 8 1HE LYS 8 0.169 12.963 -3.673 67 1HZ LYS 8 1HZ LYS 8 -0.603 12.956 -0.820 68 2HZ LYS 8 3HZ LYS 8 0.930 13.481 -1.321 69 3HZ LYS 8 2HZ LYS 8 -0.463 14.280 -1.877 70 H LEU 9 H LEU 9 -3.570 10.049 -6.647 71 HA LEU 9 HA LEU 9 -1.487 8.111 -6.668 72 1HB LEU 9 2HB LEU 9 -3.790 7.677 -5.886 73 2HB LEU 9 1HB LEU 9 -4.385 7.868 -7.530 74 HG LEU 9 HG LEU 9 -2.698 5.974 -8.118 75 1HD1 LEU 9 3HD1 LEU 9 -1.660 6.134 -5.779 76 2HD1 LEU 9 2HD1 LEU 9 -3.120 5.339 -5.191 77 3HD1 LEU 9 1HD1 LEU 9 -2.068 4.513 -6.341 78 1HD2 LEU 9 1HD2 LEU 9 -5.264 5.934 -7.977 79 2HD2 LEU 9 3HD2 LEU 9 -4.444 4.382 -7.810 80 3HD2 LEU 9 2HD2 LEU 9 -5.054 5.216 -6.382 81 H TRP 10 H TRP 10 -3.625 9.212 -9.326 82 HA TRP 10 HA TRP 10 -2.576 7.550 -11.355 83 1HB TRP 10 2HB TRP 10 -3.952 10.216 -11.368 84 2HB TRP 10 1HB TRP 10 -3.314 9.552 -12.874 85 HD1 TRP 10 HD1 TRP 10 -4.050 6.793 -13.190 86 HE1 TRP 10 HE1 TRP 10 -6.422 5.819 -12.916 87 HE3 TRP 10 HE3 TRP 10 -6.184 10.445 -10.340 88 HZ2 TRP 10 HZ2 TRP 10 -8.898 6.500 -11.667 89 HZ3 TRP 10 HZ3 TRP 10 -8.540 10.252 -9.613 90 HH2 TRP 10 HH2 TRP 10 -9.904 8.292 -10.275 91 H SER 11 H SER 11 -1.186 10.433 -9.940 92 HA SER 11 HA SER 11 0.807 10.634 -12.131 93 1HB SER 11 2HB SER 11 0.942 12.345 -9.684 94 2HB SER 11 1HB SER 11 1.287 12.758 -11.361 95 HG SER 11 HG SER 11 -0.699 13.396 -11.528 96 H MET 12 H MET 12 0.486 9.318 -8.939 97 HA MET 12 HA MET 12 3.355 9.271 -8.379 98 1HB MET 12 2HB MET 12 1.018 9.011 -6.859 99 2HB MET 12 1HB MET 12 1.733 7.401 -6.822 100 1HG MET 12 2HG MET 12 3.596 9.687 -6.421 101 2HG MET 12 1HG MET 12 2.461 9.362 -5.113 102 1HE MET 12 3HE MET 12 1.856 7.291 -4.372 103 2HE MET 12 2HE MET 12 2.380 5.796 -5.142 104 3HE MET 12 1HE MET 12 3.085 6.280 -3.601 105 H VAL 13 H VAL 13 1.037 7.192 -9.965 106 HA VAL 13 HA VAL 13 2.790 4.831 -9.784 107 HB VAL 13 HB VAL 13 0.414 4.993 -11.625 108 1HG1 VAL 13 3HG1 VAL 13 1.971 2.912 -10.133 109 2HG1 VAL 13 2HG1 VAL 13 0.279 2.591 -10.516 110 3HG1 VAL 13 1HG1 VAL 13 1.431 2.915 -11.812 111 1HG2 VAL 13 3HG2 VAL 13 0.364 5.353 -8.713 112 2HG2 VAL 13 2HG2 VAL 13 -0.937 5.545 -9.886 113 3HG2 VAL 13 1HG2 VAL 13 -0.574 3.951 -9.228 114 H ASN 14 H ASN 14 1.526 6.932 -12.398 115 HA ASN 14 HA ASN 14 3.528 5.807 -14.256 116 1HB ASN 14 2HB ASN 14 2.415 7.275 -15.936 117 2HB ASN 14 1HB ASN 14 1.280 6.196 -15.128 118 1HD2 ASN 14 2HD2 ASN 14 -0.586 9.245 -14.783 119 2HD2 ASN 14 1HD2 ASN 14 -0.393 7.875 -15.768 120 H ASP 15 H ASP 15 4.929 6.984 -12.303 121 HA ASP 15 HA ASP 15 5.662 9.693 -13.334 122 1HB ASP 15 2HB ASP 15 4.957 9.138 -10.809 123 2HB ASP 15 1HB ASP 15 6.665 8.711 -10.699 124 H LYS 16 H LYS 16 7.908 10.133 -13.659 125 HA LYS 16 HA LYS 16 9.452 7.917 -14.648 126 1HB LYS 16 2HB LYS 16 9.691 10.814 -14.528 127 2HB LYS 16 1HB LYS 16 11.236 10.049 -14.157 128 1HG LYS 16 2HG LYS 16 10.705 8.554 -16.240 129 2HG LYS 16 1HG LYS 16 9.585 9.850 -16.664 130 1HD LYS 16 2HD LYS 16 11.765 11.326 -16.044 131 2HD LYS 16 1HD LYS 16 12.556 9.857 -16.616 132 1HE LYS 16 2HE LYS 16 10.352 11.215 -18.178 133 2HE LYS 16 1HE LYS 16 12.053 11.626 -18.395 134 1HZ LYS 16 1HZ LYS 16 12.349 9.104 -18.672 135 2HZ LYS 16 3HZ LYS 16 10.678 9.082 -18.964 136 3HZ LYS 16 2HZ LYS 16 11.704 9.993 -19.967 137 H SER 17 H SER 17 9.370 9.650 -11.581 138 HA SER 17 HA SER 17 11.796 8.590 -10.484 139 1HB SER 17 2HB SER 17 10.301 10.507 -9.591 140 2HB SER 17 1HB SER 17 9.347 9.231 -8.842 141 HG SER 17 HG SER 17 10.805 9.308 -7.334 142 H ASN 18 H ASN 18 8.562 7.276 -10.832 143 HA ASN 18 HA ASN 18 9.283 4.924 -9.160 144 1HB ASN 18 2HB ASN 18 6.669 5.808 -10.410 145 2HB ASN 18 1HB ASN 18 6.876 4.278 -9.560 146 1HD2 ASN 18 2HD2 ASN 18 6.302 7.639 -7.426 147 2HD2 ASN 18 1HD2 ASN 18 6.126 7.585 -9.113 148 H GLU 19 H GLU 19 10.644 5.330 -11.649 149 HA GLU 19 HA GLU 19 9.465 3.654 -13.696 150 1HB GLU 19 2HB GLU 19 11.314 5.474 -13.935 151 2HB GLU 19 1HB GLU 19 12.419 4.193 -13.433 152 1HG GLU 19 2HG GLU 19 12.158 3.014 -15.381 153 2HG GLU 19 1HG GLU 19 10.466 3.482 -15.558 154 H LYS 20 H LYS 20 9.034 1.603 -13.045 155 HA LYS 20 HA LYS 20 9.531 -0.669 -12.699 156 1HB LYS 20 2HB LYS 20 11.925 0.099 -13.568 157 2HB LYS 20 1HB LYS 20 12.356 -0.139 -11.875 158 1HG LYS 20 2HG LYS 20 12.157 -2.401 -12.012 159 2HG LYS 20 1HG LYS 20 10.707 -2.306 -13.012 160 1HD LYS 20 2HD LYS 20 13.388 -1.566 -14.162 161 2HD LYS 20 1HD LYS 20 12.897 -3.258 -14.068 162 1HE LYS 20 2HE LYS 20 10.726 -2.542 -15.221 163 2HE LYS 20 1HE LYS 20 11.529 -1.007 -15.554 164 1HZ LYS 20 3HZ LYS 20 12.558 -3.679 -16.344 165 2HZ LYS 20 2HZ LYS 20 11.766 -2.592 -17.381 166 3HZ LYS 20 1HZ LYS 20 13.272 -2.184 -16.708 167 H PHE 21 H PHE 21 9.038 1.561 -10.581 168 HA PHE 21 HA PHE 21 9.833 -0.064 -8.199 169 1HB PHE 21 2HB PHE 21 9.246 2.879 -8.556 170 2HB PHE 21 1HB PHE 21 9.177 2.119 -6.965 171 HD1 PHE 21 HD1 PHE 21 11.276 0.403 -6.580 172 HD2 PHE 21 HD2 PHE 21 11.268 3.891 -9.088 173 HE1 PHE 21 HE1 PHE 21 13.748 0.526 -6.417 174 HE2 PHE 21 HE2 PHE 21 13.741 4.015 -8.923 175 HZ PHE 21 HZ PHE 21 14.980 2.332 -7.588 176 H ILE 22 H ILE 22 7.208 1.586 -9.859 177 HA ILE 22 HA ILE 22 5.261 -0.278 -8.747 178 HB ILE 22 HB ILE 22 5.344 1.402 -6.941 179 1HG1 ILE 22 2HG1 ILE 22 2.841 1.800 -8.605 180 2HG1 ILE 22 1HG1 ILE 22 3.166 0.342 -7.667 181 1HG2 ILE 22 2HG2 ILE 22 4.903 3.319 -9.230 182 2HG2 ILE 22 1HG2 ILE 22 4.454 3.740 -7.581 183 3HG2 ILE 22 3HG2 ILE 22 6.133 3.376 -7.969 184 1HD1 ILE 22 1HD1 ILE 22 3.305 3.059 -6.373 185 2HD1 ILE 22 3HD1 ILE 22 1.761 2.226 -6.556 186 3HD1 ILE 22 2HD1 ILE 22 3.055 1.487 -5.614 187 H HIS 23 H HIS 23 3.547 -0.495 -10.199 188 HA HIS 23 HA HIS 23 2.972 1.591 -12.167 189 1HB HIS 23 2HB HIS 23 3.505 0.138 -14.131 190 2HB HIS 23 1HB HIS 23 4.937 0.613 -13.218 191 HD1 HIS 23 HD1 HIS 23 3.859 -2.216 -14.873 192 HD2 HIS 23 HD2 HIS 23 5.125 -1.648 -10.941 193 HE1 HIS 23 HE1 HIS 23 4.601 -4.483 -14.023 194 H TRP 24 H TRP 24 1.369 0.627 -13.855 195 HA TRP 24 HA TRP 24 -0.811 -0.583 -12.352 196 1HB TRP 24 2HB TRP 24 -0.658 -0.115 -15.345 197 2HB TRP 24 1HB TRP 24 -2.114 -0.280 -14.363 198 HD1 TRP 24 HD1 TRP 24 0.652 2.172 -15.255 199 HE1 TRP 24 HE1 TRP 24 0.027 4.514 -14.374 200 HE3 TRP 24 HE3 TRP 24 -3.488 0.996 -12.505 201 HZ2 TRP 24 HZ2 TRP 24 -1.971 5.724 -12.722 202 HZ3 TRP 24 HZ3 TRP 24 -4.733 2.762 -11.291 203 HH2 TRP 24 HH2 TRP 24 -3.980 5.121 -11.395 204 H SER 25 H SER 25 -1.995 -2.528 -13.373 205 HA SER 25 HA SER 25 -0.044 -4.699 -13.656 206 1HB SER 25 2HB SER 25 -2.820 -4.446 -12.889 207 2HB SER 25 1HB SER 25 -2.650 -5.701 -14.112 208 HG SER 25 HG SER 25 -2.286 -6.243 -11.777 209 H THR 26 H THR 26 0.870 -4.010 -15.721 210 HA THR 26 HA THR 26 1.076 -4.159 -18.048 211 HB THR 26 HB THR 26 -1.331 -5.992 -17.921 212 HG1 THR 26 HG1 THR 26 -0.095 -7.464 -17.061 213 1HG2 THR 26 1HG2 THR 26 1.011 -5.630 -19.792 214 2HG2 THR 26 3HG2 THR 26 0.020 -7.090 -19.796 215 3HG2 THR 26 2HG2 THR 26 -0.709 -5.527 -20.170 216 H SER 27 H SER 27 -0.227 -1.905 -17.215 217 HA SER 27 HA SER 27 -1.628 -0.192 -17.983 218 1HB SER 27 2HB SER 27 -1.195 -1.934 -20.354 219 2HB SER 27 1HB SER 27 -2.551 -0.813 -20.446 220 HG SER 27 HG SER 27 -0.032 -0.270 -20.838 221 H GLY 28 H GLY 28 -3.031 -1.298 -16.217 222 1HA GLY 28 2HA GLY 28 -5.691 -1.837 -17.428 223 2HA GLY 28 1HA GLY 28 -5.059 -3.004 -16.267 224 H GLU 29 H GLU 29 -5.411 -2.606 -14.123 225 HA GLU 29 HA GLU 29 -5.960 0.166 -13.222 226 1HB GLU 29 2HB GLU 29 -8.022 -0.587 -12.029 227 2HB GLU 29 1HB GLU 29 -8.179 -0.685 -13.783 228 1HG GLU 29 2HG GLU 29 -7.368 -3.134 -13.509 229 2HG GLU 29 1HG GLU 29 -7.776 -2.925 -11.805 230 H SER 30 H SER 30 -5.654 -3.267 -12.280 231 HA SER 30 HA SER 30 -5.189 -2.841 -9.506 232 1HB SER 30 2HB SER 30 -3.791 -5.027 -11.019 233 2HB SER 30 1HB SER 30 -4.535 -5.083 -9.424 234 HG SER 30 HG SER 30 -5.609 -5.571 -11.861 235 H ILE 31 H ILE 31 -3.035 -3.203 -8.407 236 HA ILE 31 HA ILE 31 -0.858 -1.820 -9.928 237 HB ILE 31 HB ILE 31 -1.269 -1.835 -6.922 238 1HG1 ILE 31 2HG1 ILE 31 -1.879 0.404 -8.875 239 2HG1 ILE 31 1HG1 ILE 31 -3.109 -0.679 -8.225 240 1HG2 ILE 31 1HG2 ILE 31 0.621 -0.466 -8.830 241 2HG2 ILE 31 3HG2 ILE 31 0.253 0.251 -7.261 242 3HG2 ILE 31 2HG2 ILE 31 0.994 -1.347 -7.348 243 1HD1 ILE 31 3HD1 ILE 31 -1.287 0.601 -6.252 244 2HD1 ILE 31 2HD1 ILE 31 -2.469 1.650 -7.036 245 3HD1 ILE 31 1HD1 ILE 31 -3.008 0.240 -6.124 246 H VAL 32 H VAL 32 1.300 -2.606 -9.582 247 HA VAL 32 HA VAL 32 1.468 -5.270 -8.231 248 HB VAL 32 HB VAL 32 2.816 -4.514 -10.842 249 1HG1 VAL 32 2HG1 VAL 32 2.941 -6.845 -8.989 250 2HG1 VAL 32 1HG1 VAL 32 2.933 -7.198 -10.716 251 3HG1 VAL 32 3HG1 VAL 32 4.192 -6.171 -10.032 252 1HG2 VAL 32 2HG2 VAL 32 0.292 -4.812 -10.928 253 2HG2 VAL 32 1HG2 VAL 32 1.208 -5.933 -11.935 254 3HG2 VAL 32 3HG2 VAL 32 0.549 -6.473 -10.392 255 H VAL 33 H VAL 33 2.916 -5.114 -6.594 256 HA VAL 33 HA VAL 33 5.124 -3.114 -6.832 257 HB VAL 33 HB VAL 33 4.089 -4.568 -4.381 258 1HG1 VAL 33 3HG1 VAL 33 6.358 -2.714 -4.893 259 2HG1 VAL 33 2HG1 VAL 33 5.412 -2.410 -3.436 260 3HG1 VAL 33 1HG1 VAL 33 6.189 -3.976 -3.672 261 1HG2 VAL 33 2HG2 VAL 33 2.721 -2.669 -5.699 262 2HG2 VAL 33 1HG2 VAL 33 2.730 -2.759 -3.937 263 3HG2 VAL 33 3HG2 VAL 33 3.796 -1.625 -4.767 264 HA PRO 34 HA PRO 34 7.463 -6.916 -7.206 265 1HB PRO 34 2HB PRO 34 9.654 -5.873 -8.483 266 2HB PRO 34 1HB PRO 34 8.175 -6.362 -9.329 267 1HG PRO 34 2HG PRO 34 9.173 -3.629 -8.733 268 2HG PRO 34 1HG PRO 34 8.083 -4.174 -10.020 269 1HD PRO 34 2HD PRO 34 7.324 -2.874 -7.615 270 2HD PRO 34 1HD PRO 34 6.240 -3.655 -8.782 271 H ASN 35 H ASN 35 8.669 -3.756 -6.158 272 HA ASN 35 HA ASN 35 10.362 -5.158 -4.130 273 1HB ASN 35 2HB ASN 35 10.959 -2.636 -5.699 274 2HB ASN 35 1HB ASN 35 11.865 -3.120 -4.264 275 1HD2 ASN 35 2HD2 ASN 35 12.563 -4.985 -7.802 276 2HD2 ASN 35 1HD2 ASN 35 11.409 -3.749 -7.672 277 H ARG 36 H ARG 36 8.525 -4.979 -2.694 278 HA ARG 36 HA ARG 36 7.158 -2.578 -2.044 279 1HB ARG 36 2HB ARG 36 6.596 -3.732 0.088 280 2HB ARG 36 1HB ARG 36 6.356 -4.769 -1.317 281 1HG ARG 36 2HG ARG 36 8.827 -5.527 -0.845 282 2HG ARG 36 1HG ARG 36 8.527 -4.874 0.762 283 1HD ARG 36 2HD ARG 36 6.266 -6.467 -0.007 284 2HD ARG 36 1HD ARG 36 7.734 -7.406 -0.266 285 HE ARG 36 HE ARG 36 7.401 -6.021 2.341 286 1HH1 ARG 36 2HH1 ARG 36 9.557 -7.874 2.337 287 2HH1 ARG 36 1HH1 ARG 36 8.861 -9.378 2.840 288 1HH2 ARG 36 1HH2 ARG 36 5.601 -8.397 2.169 289 2HH2 ARG 36 2HH2 ARG 36 6.618 -9.675 2.743 290 H GLU 37 H GLU 37 10.335 -3.681 -1.112 291 HA GLU 37 HA GLU 37 10.539 -1.828 1.155 292 1HB GLU 37 2HB GLU 37 11.718 -4.071 1.017 293 2HB GLU 37 1HB GLU 37 12.788 -3.346 -0.184 294 1HG GLU 37 2HG GLU 37 13.786 -1.930 1.357 295 2HG GLU 37 1HG GLU 37 12.367 -1.901 2.405 296 H ARG 38 H ARG 38 11.960 -2.027 -2.122 297 HA ARG 38 HA ARG 38 13.525 0.360 -1.874 298 1HB ARG 38 2HB ARG 38 12.504 -1.248 -4.200 299 2HB ARG 38 1HB ARG 38 13.330 0.286 -4.475 300 1HG ARG 38 2HG ARG 38 15.250 -0.536 -3.122 301 2HG ARG 38 1HG ARG 38 14.435 -2.090 -2.945 302 1HD ARG 38 2HD ARG 38 14.996 -2.748 -5.043 303 2HD ARG 38 1HD ARG 38 14.623 -1.170 -5.735 304 HE ARG 38 HE ARG 38 16.960 -0.676 -4.394 305 1HH1 ARG 38 1HH2 ARG 38 18.273 -3.076 -4.397 306 2HH1 ARG 38 2HH2 ARG 38 18.818 -3.363 -6.015 307 1HH2 ARG 38 2HH1 ARG 38 16.653 -1.061 -7.440 308 2HH2 ARG 38 1HH1 ARG 38 17.902 -2.224 -7.736 309 H PHE 39 H PHE 39 10.363 -0.127 -3.500 310 HA PHE 39 HA PHE 39 9.904 2.535 -4.272 311 1HB PHE 39 2HB PHE 39 8.417 0.887 -5.110 312 2HB PHE 39 1HB PHE 39 8.028 0.294 -3.499 313 HD1 PHE 39 HD2 PHE 39 6.556 1.583 -2.001 314 HD2 PHE 39 HD1 PHE 39 7.305 2.854 -6.039 315 HE1 PHE 39 HE2 PHE 39 4.606 3.113 -1.883 316 HE2 PHE 39 HE1 PHE 39 5.361 4.385 -5.917 317 HZ PHE 39 HZ PHE 39 4.010 4.516 -3.839 318 H VAL 40 H VAL 40 8.781 1.011 -1.209 319 HA VAL 40 HA VAL 40 7.597 3.311 -0.087 320 HB VAL 40 HB VAL 40 9.029 1.025 1.313 321 1HG1 VAL 40 1HG1 VAL 40 7.374 3.317 2.345 322 2HG1 VAL 40 3HG1 VAL 40 7.305 1.755 3.162 323 3HG1 VAL 40 2HG1 VAL 40 8.840 2.611 3.023 324 1HG2 VAL 40 3HG2 VAL 40 6.934 0.693 -0.245 325 2HG2 VAL 40 2HG2 VAL 40 6.974 -0.088 1.337 326 3HG2 VAL 40 1HG2 VAL 40 6.053 1.398 1.110 327 H GLN 41 H GLN 41 10.916 2.114 0.507 328 HA GLN 41 HA GLN 41 11.655 4.521 1.952 329 1HB GLN 41 2HB GLN 41 12.714 1.908 1.583 330 2HB GLN 41 1HB GLN 41 13.967 3.039 1.079 331 1HG GLN 41 2HG GLN 41 14.452 3.393 3.251 332 2HG GLN 41 1HG GLN 41 12.864 4.131 3.448 333 1HE2 GLN 41 2HE2 GLN 41 13.440 0.253 4.663 334 2HE2 GLN 41 1HE2 GLN 41 14.547 0.970 3.594 335 H GLU 42 H GLU 42 11.216 4.200 -1.321 336 HA GLU 42 HA GLU 42 13.277 6.304 -1.819 337 1HB GLU 42 2HB GLU 42 12.591 3.979 -3.635 338 2HB GLU 42 1HB GLU 42 13.617 5.337 -4.096 339 1HG GLU 42 2HG GLU 42 14.915 4.725 -1.886 340 2HG GLU 42 1HG GLU 42 14.155 3.150 -2.113 341 H VAL 43 H VAL 43 10.056 5.861 -1.653 342 HA VAL 43 HA VAL 43 9.553 8.051 -3.558 343 HB VAL 43 HB VAL 43 7.883 5.540 -3.812 344 1HG1 VAL 43 1HG1 VAL 43 7.520 8.184 -4.670 345 2HG1 VAL 43 3HG1 VAL 43 8.087 7.333 -6.106 346 3HG1 VAL 43 2HG1 VAL 43 6.652 6.766 -5.253 347 1HG2 VAL 43 2HG2 VAL 43 10.218 6.422 -5.547 348 2HG2 VAL 43 1HG2 VAL 43 10.185 4.992 -4.515 349 3HG2 VAL 43 3HG2 VAL 43 9.121 5.092 -5.913 350 H LEU 44 H LEU 44 8.296 5.894 -1.019 351 HA LEU 44 HA LEU 44 5.749 7.003 -0.648 352 1HB LEU 44 2HB LEU 44 6.904 5.037 0.589 353 2HB LEU 44 1HB LEU 44 7.465 6.273 1.713 354 HG LEU 44 HG LEU 44 5.080 7.031 1.961 355 1HD1 LEU 44 3HD1 LEU 44 4.678 4.608 0.204 356 2HD1 LEU 44 2HD1 LEU 44 3.403 5.188 1.278 357 3HD1 LEU 44 1HD1 LEU 44 4.023 6.233 0.000 358 1HD2 LEU 44 1HD2 LEU 44 6.321 5.311 3.452 359 2HD2 LEU 44 3HD2 LEU 44 4.565 5.385 3.577 360 3HD2 LEU 44 2HD2 LEU 44 5.328 4.101 2.641 361 HA PRO 45 HA PRO 45 7.502 10.330 2.209 362 1HB PRO 45 2HB PRO 45 10.173 10.936 2.124 363 2HB PRO 45 1HB PRO 45 9.462 9.796 3.280 364 1HG PRO 45 2HG PRO 45 11.110 9.239 0.869 365 2HG PRO 45 1HG PRO 45 10.899 8.268 2.335 366 1HD PRO 45 2HD PRO 45 9.646 7.810 -0.162 367 2HD PRO 45 1HD PRO 45 9.231 7.041 1.380 368 H LYS 46 H LYS 46 8.722 9.855 -1.023 369 HA LYS 46 HA LYS 46 9.472 12.504 -1.716 370 1HB LYS 46 2HB LYS 46 9.471 10.176 -3.057 371 2HB LYS 46 1HB LYS 46 8.008 10.883 -3.742 372 1HG LYS 46 2HG LYS 46 9.163 12.471 -4.889 373 2HG LYS 46 1HG LYS 46 10.277 12.762 -3.554 374 1HD LYS 46 2HD LYS 46 11.188 10.367 -4.205 375 2HD LYS 46 1HD LYS 46 10.456 10.743 -5.764 376 1HE LYS 46 2HE LYS 46 12.472 11.748 -6.163 377 2HE LYS 46 1HE LYS 46 11.746 13.083 -5.267 378 1HZ LYS 46 3HZ LYS 46 12.656 11.787 -3.230 379 2HZ LYS 46 2HZ LYS 46 13.706 11.087 -4.367 380 3HZ LYS 46 1HZ LYS 46 13.698 12.771 -4.137 381 H TYR 47 H TYR 47 6.289 10.985 -1.504 382 HA TYR 47 HA TYR 47 5.053 13.570 -2.346 383 1HB TYR 47 2HB TYR 47 3.906 10.769 -2.190 384 2HB TYR 47 1HB TYR 47 2.973 12.203 -2.623 385 HD1 TYR 47 HD2 TYR 47 6.054 10.299 -3.566 386 HD2 TYR 47 HD1 TYR 47 2.934 12.957 -4.854 387 HE1 TYR 47 HE2 TYR 47 6.867 10.120 -5.904 388 HE2 TYR 47 HE1 TYR 47 3.747 12.780 -7.191 389 HH TYR 47 HH TYR 47 6.090 12.214 -8.284 390 H PHE 48 H PHE 48 4.573 10.952 0.061 391 HA PHE 48 HA PHE 48 3.071 12.831 1.781 392 1HB PHE 48 2HB PHE 48 3.826 9.953 2.362 393 2HB PHE 48 1HB PHE 48 2.584 10.912 3.164 394 HD1 PHE 48 HD1 PHE 48 0.657 11.837 1.672 395 HD2 PHE 48 HD2 PHE 48 3.286 8.647 0.499 396 HE1 PHE 48 HE1 PHE 48 -0.996 11.101 -0.029 397 HE2 PHE 48 HE2 PHE 48 1.636 7.911 -1.199 398 HZ PHE 48 HZ PHE 48 -0.504 9.137 -1.462 399 H LYS 49 H LYS 49 3.725 12.823 4.182 400 HA LYS 49 HA LYS 49 6.709 12.914 4.384 401 1HB LYS 49 2HB LYS 49 4.582 14.793 5.364 402 2HB LYS 49 1HB LYS 49 6.103 14.669 6.249 403 1HG LYS 49 2HG LYS 49 7.376 15.266 4.285 404 2HG LYS 49 1HG LYS 49 5.938 15.177 3.266 405 1HD LYS 49 2HD LYS 49 4.982 16.977 4.915 406 2HD LYS 49 1HD LYS 49 6.677 17.252 5.313 407 1HE LYS 49 2HE LYS 49 5.801 17.166 2.437 408 2HE LYS 49 1HE LYS 49 5.594 18.641 3.381 409 1HZ LYS 49 1HZ LYS 49 8.158 17.176 3.058 410 2HZ LYS 49 3HZ LYS 49 7.723 18.570 2.194 411 3HZ LYS 49 2HZ LYS 49 7.933 18.647 3.878 412 H HIS 50 H HIS 50 4.125 13.186 6.831 413 HA HIS 50 HA HIS 50 5.558 11.197 8.479 414 1HB HIS 50 2HB HIS 50 3.027 12.719 9.163 415 2HB HIS 50 1HB HIS 50 4.112 11.896 10.283 416 HD1 HIS 50 HD1 HIS 50 6.833 12.903 9.410 417 HD2 HIS 50 HD2 HIS 50 3.502 15.399 9.660 418 HE1 HIS 50 HE1 HIS 50 7.720 15.263 9.651 419 H SER 51 H SER 51 4.915 9.550 6.718 420 HA SER 51 HA SER 51 2.620 8.033 7.718 421 1HB SER 51 2HB SER 51 2.617 9.220 4.934 422 2HB SER 51 1HB SER 51 1.591 7.868 5.405 423 HG SER 51 HG SER 51 1.486 10.553 6.124 424 H ASN 52 H ASN 52 2.795 5.838 7.181 425 HA ASN 52 HA ASN 52 5.129 5.081 5.464 426 1HB ASN 52 2HB ASN 52 4.185 3.719 8.009 427 2HB ASN 52 1HB ASN 52 5.519 3.179 6.991 428 1HD2 ASN 52 2HD2 ASN 52 7.788 5.244 8.697 429 2HD2 ASN 52 1HD2 ASN 52 7.496 3.795 7.863 430 H PHE 53 H PHE 53 4.759 2.380 5.340 431 HA PHE 53 HA PHE 53 2.823 1.941 3.380 432 1HB PHE 53 2HB PHE 53 4.716 0.402 4.679 433 2HB PHE 53 1HB PHE 53 3.210 -0.378 5.154 434 HD1 PHE 53 HD1 PHE 53 1.449 -0.196 2.916 435 HD2 PHE 53 HD2 PHE 53 5.709 -0.727 2.907 436 HE1 PHE 53 HE1 PHE 53 1.306 -1.268 0.689 437 HE2 PHE 53 HE2 PHE 53 5.568 -1.801 0.677 438 HZ PHE 53 HZ PHE 53 3.367 -2.072 -0.432 439 H ALA 54 H ALA 54 2.335 2.105 6.847 440 HA ALA 54 HA ALA 54 -0.189 0.724 6.941 441 1HB ALA 54 3HB ALA 54 0.996 2.848 8.751 442 2HB ALA 54 2HB ALA 54 -0.480 1.951 9.111 443 3HB ALA 54 1HB ALA 54 1.062 1.100 8.988 444 H SER 55 H SER 55 0.600 4.216 6.808 445 HA SER 55 HA SER 55 -2.133 5.082 6.615 446 1HB SER 55 2HB SER 55 0.544 6.313 6.154 447 2HB SER 55 1HB SER 55 -0.850 7.119 5.444 448 HG SER 55 HG SER 55 -1.756 7.285 7.469 449 H PHE 56 H PHE 56 0.169 3.907 4.262 450 HA PHE 56 HA PHE 56 -1.129 4.918 1.902 451 1HB PHE 56 2HB PHE 56 1.242 3.892 2.173 452 2HB PHE 56 1HB PHE 56 0.430 2.335 2.021 453 HD1 PHE 56 HD2 PHE 56 -0.114 5.644 0.363 454 HD2 PHE 56 HD1 PHE 56 0.796 1.481 -0.125 455 HE1 PHE 56 HE2 PHE 56 -0.153 5.928 -2.104 456 HE2 PHE 56 HE1 PHE 56 0.757 1.758 -2.590 457 HZ PHE 56 HZ PHE 56 0.282 3.984 -3.579 458 H VAL 57 H VAL 57 -1.269 1.792 3.558 459 HA VAL 57 HA VAL 57 -3.240 0.648 1.802 460 HB VAL 57 HB VAL 57 -2.612 -0.117 4.671 461 1HG1 VAL 57 2HG1 VAL 57 -3.952 -1.541 2.361 462 2HG1 VAL 57 1HG1 VAL 57 -3.332 -2.393 3.774 463 3HG1 VAL 57 3HG1 VAL 57 -4.621 -1.205 3.957 464 1HG2 VAL 57 2HG2 VAL 57 -0.680 -0.001 2.917 465 2HG2 VAL 57 1HG2 VAL 57 -0.865 -1.471 3.872 466 3HG2 VAL 57 3HG2 VAL 57 -1.455 -1.419 2.212 467 H ARG 58 H ARG 58 -3.466 2.792 4.559 468 HA ARG 58 HA ARG 58 -6.251 2.174 5.139 469 1HB ARG 58 2HB ARG 58 -4.373 3.416 6.592 470 2HB ARG 58 1HB ARG 58 -5.124 4.838 5.863 471 1HG ARG 58 2HG ARG 58 -7.247 4.332 6.780 472 2HG ARG 58 1HG ARG 58 -6.787 2.671 7.148 473 1HD ARG 58 2HD ARG 58 -5.443 3.322 8.976 474 2HD ARG 58 1HD ARG 58 -5.366 4.999 8.435 475 HE ARG 58 HE ARG 58 -8.092 4.218 9.000 476 1HH1 ARG 58 1HH2 ARG 58 -6.302 6.713 9.727 477 2HH1 ARG 58 2HH2 ARG 58 -6.469 6.681 11.451 478 1HH2 ARG 58 2HH1 ARG 58 -7.797 3.480 11.529 479 2HH2 ARG 58 1HH1 ARG 58 -7.316 4.851 12.470 480 H GLN 59 H GLN 59 -4.572 4.631 3.187 481 HA GLN 59 HA GLN 59 -6.979 6.103 2.534 482 1HB GLN 59 2HB GLN 59 -4.230 5.967 1.274 483 2HB GLN 59 1HB GLN 59 -5.519 6.961 0.601 484 1HG GLN 59 2HG GLN 59 -4.414 7.171 3.418 485 2HG GLN 59 1HG GLN 59 -4.081 8.288 2.096 486 1HE2 GLN 59 2HE2 GLN 59 -7.268 9.894 2.296 487 2HE2 GLN 59 1HE2 GLN 59 -5.932 9.608 1.289 488 H LEU 60 H LEU 60 -5.018 3.737 0.715 489 HA LEU 60 HA LEU 60 -6.703 3.593 -1.574 490 1HB LEU 60 2HB LEU 60 -4.914 1.464 -0.362 491 2HB LEU 60 1HB LEU 60 -5.573 1.428 -1.996 492 HG LEU 60 HG LEU 60 -3.972 3.793 -1.042 493 1HD1 LEU 60 2HD1 LEU 60 -3.018 1.059 -1.595 494 2HD1 LEU 60 1HD1 LEU 60 -2.210 2.300 -2.554 495 3HD1 LEU 60 3HD1 LEU 60 -2.196 2.398 -0.795 496 1HD2 LEU 60 3HD2 LEU 60 -4.500 2.536 -3.755 497 2HD2 LEU 60 2HD2 LEU 60 -5.241 4.012 -3.135 498 3HD2 LEU 60 1HD2 LEU 60 -3.512 3.970 -3.480 499 H ASN 61 H ASN 61 -6.789 1.813 1.491 500 HA ASN 61 HA ASN 61 -8.837 -0.050 0.685 501 1HB ASN 61 2HB ASN 61 -7.684 0.831 3.314 502 2HB ASN 61 1HB ASN 61 -9.145 -0.157 3.289 503 1HD2 ASN 61 2HD2 ASN 61 -7.329 -3.106 2.722 504 2HD2 ASN 61 1HD2 ASN 61 -8.737 -2.363 3.313 505 H MET 62 H MET 62 -8.905 3.195 2.057 506 HA MET 62 HA MET 62 -11.769 3.085 2.637 507 1HB MET 62 2HB MET 62 -9.723 4.647 3.553 508 2HB MET 62 1HB MET 62 -10.478 5.734 2.388 509 1HG MET 62 2HG MET 62 -11.825 6.217 4.183 510 2HG MET 62 1HG MET 62 -12.700 4.805 3.594 511 1HE MET 62 3HE MET 62 -13.601 5.283 5.881 512 2HE MET 62 2HE MET 62 -13.679 3.524 5.903 513 3HE MET 62 1HE MET 62 -13.076 4.389 7.315 514 H TYR 63 H TYR 63 -10.174 3.192 -0.273 515 HA TYR 63 HA TYR 63 -12.229 4.988 -1.484 516 1HB TYR 63 2HB TYR 63 -9.400 4.321 -2.269 517 2HB TYR 63 1HB TYR 63 -10.548 4.913 -3.471 518 HD1 TYR 63 HD2 TYR 63 -12.111 6.924 -2.358 519 HD2 TYR 63 HD1 TYR 63 -8.031 5.989 -1.396 520 HE1 TYR 63 HE2 TYR 63 -11.769 9.245 -1.552 521 HE2 TYR 63 HE1 TYR 63 -7.688 8.311 -0.592 522 HH TYR 63 HH TYR 63 -10.234 10.433 0.026 523 H GLY 64 H GLY 64 -10.743 1.780 -1.628 524 1HA GLY 64 2HA GLY 64 -12.814 0.255 -2.437 525 2HA GLY 64 1HA GLY 64 -12.408 1.044 -3.958 526 H TRP 65 H TRP 65 -9.481 1.063 -3.128 527 HA TRP 65 HA TRP 65 -8.812 -1.514 -4.309 528 1HB TRP 65 2HB TRP 65 -6.985 0.533 -3.021 529 2HB TRP 65 1HB TRP 65 -6.495 -0.769 -4.103 530 HD1 TRP 65 HD1 TRP 65 -7.480 2.768 -4.120 531 HE1 TRP 65 HE1 TRP 65 -7.968 3.575 -6.520 532 HE3 TRP 65 HE3 TRP 65 -7.696 -1.726 -6.533 533 HZ2 TRP 65 HZ2 TRP 65 -8.394 2.459 -9.120 534 HZ3 TRP 65 HZ3 TRP 65 -8.143 -1.825 -8.969 535 HH2 TRP 65 HH2 TRP 65 -8.493 0.258 -10.264 536 H HIS 66 H HIS 66 -8.454 -3.380 -3.218 537 HA HIS 66 HA HIS 66 -7.585 -3.247 -0.374 538 1HB HIS 66 2HB HIS 66 -9.830 -5.027 -1.374 539 2HB HIS 66 1HB HIS 66 -9.225 -4.936 0.279 540 HD1 HIS 66 HD1 HIS 66 -11.523 -3.287 -2.101 541 HD2 HIS 66 HD2 HIS 66 -9.821 -2.396 1.597 542 HE1 HIS 66 HE1 HIS 66 -12.830 -1.330 -1.166 543 H LYS 67 H LYS 67 -6.313 -5.045 0.262 544 HA LYS 67 HA LYS 67 -4.851 -6.365 -1.839 545 1HB LYS 67 2HB LYS 67 -4.845 -6.330 1.117 546 2HB LYS 67 1HB LYS 67 -4.313 -7.855 0.409 547 1HG LYS 67 2HG LYS 67 -2.559 -6.806 -0.803 548 2HG LYS 67 1HG LYS 67 -3.237 -5.198 -0.544 549 1HD LYS 67 2HD LYS 67 -1.364 -5.457 0.961 550 2HD LYS 67 1HD LYS 67 -2.839 -5.512 1.926 551 1HE LYS 67 2HE LYS 67 -1.885 -7.406 2.777 552 2HE LYS 67 1HE LYS 67 -2.564 -8.148 1.329 553 1HZ LYS 67 3HZ LYS 67 -0.345 -7.363 0.274 554 2HZ LYS 67 2HZ LYS 67 0.209 -7.341 1.880 555 3HZ LYS 67 1HZ LYS 67 -0.380 -8.783 1.199 556 H VAL 68 H VAL 68 -4.624 -8.897 -1.684 557 HA VAL 68 HA VAL 68 -7.386 -10.040 -1.636 558 HB VAL 68 HB VAL 68 -6.429 -9.919 -3.905 559 1HG1 VAL 68 1HG1 VAL 68 -4.018 -10.533 -2.630 560 2HG1 VAL 68 3HG1 VAL 68 -4.394 -11.979 -3.566 561 3HG1 VAL 68 2HG1 VAL 68 -4.281 -10.415 -4.369 562 1HG2 VAL 68 1HG2 VAL 68 -7.594 -12.133 -2.704 563 2HG2 VAL 68 3HG2 VAL 68 -7.373 -11.908 -4.439 564 3HG2 VAL 68 2HG2 VAL 68 -6.183 -12.819 -3.510 565 H GLN 69 H GLN 69 -7.377 -10.863 0.437 566 HA GLN 69 HA GLN 69 -6.714 -12.123 2.308 567 1HB GLN 69 2HB GLN 69 -6.387 -14.534 1.732 568 2HB GLN 69 1HB GLN 69 -7.801 -13.813 0.970 569 1HG GLN 69 2HG GLN 69 -6.644 -13.594 -1.135 570 2HG GLN 69 1HG GLN 69 -5.112 -14.065 -0.399 571 1HE2 GLN 69 2HE2 GLN 69 -7.920 -16.956 -1.189 572 2HE2 GLN 69 1HE2 GLN 69 -8.399 -15.331 -1.105 573 H ASP 70 H ASP 70 -4.589 -10.475 1.654 574 HA ASP 70 HA ASP 70 -2.291 -10.227 2.026 575 1HB ASP 70 2HB ASP 70 -3.232 -12.126 3.872 576 2HB ASP 70 1HB ASP 70 -1.771 -12.847 3.199 577 H VAL 71 H VAL 71 -0.109 -11.698 1.769 578 HA VAL 71 HA VAL 71 -0.425 -13.138 -0.836 579 HB VAL 71 HB VAL 71 1.901 -12.350 -1.339 580 1HG1 VAL 71 2HG1 VAL 71 -0.312 -11.118 -1.936 581 2HG1 VAL 71 1HG1 VAL 71 0.173 -9.966 -0.691 582 3HG1 VAL 71 3HG1 VAL 71 1.206 -10.232 -2.097 583 1HG2 VAL 71 3HG2 VAL 71 2.272 -11.956 1.238 584 2HG2 VAL 71 2HG2 VAL 71 3.048 -10.880 0.076 585 3HG2 VAL 71 1HG2 VAL 71 1.577 -10.370 0.904 586 H LYS 72 H LYS 72 -0.462 -14.247 1.915 587 HA LYS 72 HA LYS 72 0.294 -16.227 2.902 588 1HB LYS 72 2HB LYS 72 0.746 -16.939 0.482 589 2HB LYS 72 1HB LYS 72 2.417 -16.459 0.755 590 1HG LYS 72 2HG LYS 72 2.472 -17.978 2.749 591 2HG LYS 72 1HG LYS 72 0.855 -18.534 2.316 592 1HD LYS 72 2HD LYS 72 1.607 -19.514 0.294 593 2HD LYS 72 1HD LYS 72 3.133 -18.628 0.336 594 1HE LYS 72 2HE LYS 72 3.973 -19.947 2.127 595 2HE LYS 72 1HE LYS 72 2.378 -20.608 2.490 596 1HZ LYS 72 1HZ LYS 72 2.439 -21.603 0.208 597 2HZ LYS 72 3HZ LYS 72 4.075 -21.165 0.126 598 3HZ LYS 72 2HZ LYS 72 3.551 -22.261 1.313 599 H SER 73 H SER 73 3.434 -15.071 1.602 600 HA SER 73 HA SER 73 4.455 -14.963 4.364 601 1HB SER 73 2HB SER 73 5.701 -14.851 1.626 602 2HB SER 73 1HB SER 73 6.612 -14.315 3.034 603 HG SER 73 HG SER 73 6.225 -16.364 3.959 604 H GLY 74 H GLY 74 2.954 -13.105 4.780 605 1HA GLY 74 2HA GLY 74 3.019 -10.601 3.531 606 2HA GLY 74 1HA GLY 74 2.698 -10.822 5.248 607 H SER 75 H SER 75 5.438 -12.015 5.668 608 HA SER 75 HA SER 75 7.097 -9.586 5.228 609 1HB SER 75 2HB SER 75 7.866 -9.694 7.555 610 2HB SER 75 1HB SER 75 6.111 -9.559 7.522 611 HG SER 75 HG SER 75 6.313 -11.257 8.788 612 H MET 76 H MET 76 8.950 -11.443 7.176 613 HA MET 76 HA MET 76 10.778 -12.842 6.762 614 1HB MET 76 2HB MET 76 8.492 -14.234 6.201 615 2HB MET 76 1HB MET 76 9.358 -14.382 4.674 616 1HG MET 76 2HG MET 76 10.085 -16.232 5.986 617 2HG MET 76 1HG MET 76 11.399 -15.058 6.069 618 1HE MET 76 3HE MET 76 8.170 -16.280 7.525 619 2HE MET 76 2HE MET 76 9.319 -17.434 8.200 620 3HE MET 76 1HE MET 76 8.435 -16.350 9.272 621 H LEU 77 H LEU 77 12.038 -11.186 5.698 622 HA LEU 77 HA LEU 77 11.853 -10.610 2.892 623 1HB LEU 77 2HB LEU 77 13.163 -9.416 4.890 624 2HB LEU 77 1HB LEU 77 14.489 -10.415 4.291 625 HG LEU 77 HG LEU 77 13.929 -9.523 1.963 626 1HD1 LEU 77 2HD1 LEU 77 11.660 -8.611 3.069 627 2HD1 LEU 77 1HD1 LEU 77 12.663 -7.180 3.307 628 3HD1 LEU 77 3HD1 LEU 77 12.407 -7.818 1.682 629 1HD2 LEU 77 2HD2 LEU 77 15.755 -8.699 3.649 630 2HD2 LEU 77 1HD2 LEU 77 15.376 -7.691 2.252 631 3HD2 LEU 77 3HD2 LEU 77 14.707 -7.291 3.833 632 H SER 78 H SER 78 13.145 -11.402 1.158 633 HA SER 78 HA SER 78 14.242 -13.062 -0.080 634 1HB SER 78 2HB SER 78 15.918 -12.442 1.975 635 2HB SER 78 1HB SER 78 15.671 -14.160 2.276 636 HG SER 78 HG SER 78 17.318 -14.057 0.839 637 H ASN 79 H ASN 79 11.706 -13.745 0.815 638 HA ASN 79 HA ASN 79 11.997 -16.686 1.143 639 1HB ASN 79 2HB ASN 79 11.264 -15.043 3.273 640 2HB ASN 79 1HB ASN 79 9.718 -15.614 2.653 641 1HD2 ASN 79 2HD2 ASN 79 10.124 -18.728 4.223 642 2HD2 ASN 79 1HD2 ASN 79 9.079 -17.506 3.679 643 H ASN 80 H ASN 80 11.405 -15.229 -1.214 644 HA ASN 80 HA ASN 80 9.860 -15.220 -2.981 645 1HB ASN 80 2HB ASN 80 9.644 -17.667 -1.986 646 2HB ASN 80 1HB ASN 80 8.065 -17.083 -1.460 647 1HD2 ASN 80 2HD2 ASN 80 7.725 -18.504 -4.919 648 2HD2 ASN 80 1HD2 ASN 80 8.251 -19.127 -3.430 649 H ASP 81 H ASP 81 9.523 -12.991 -1.846 650 HA ASP 81 HA ASP 81 6.605 -12.709 -1.310 651 1HB ASP 81 2HB ASP 81 7.086 -11.111 0.511 652 2HB ASP 81 1HB ASP 81 7.810 -12.676 0.860 653 H SER 82 H SER 82 6.885 -9.805 -0.897 654 HA SER 82 HA SER 82 7.028 -7.826 -2.135 655 1HB SER 82 2HB SER 82 8.827 -8.972 -4.202 656 2HB SER 82 1HB SER 82 8.956 -7.458 -3.311 657 HG SER 82 HG SER 82 10.371 -9.514 -2.866 658 H ARG 83 H ARG 83 4.914 -9.549 -2.669 659 HA ARG 83 HA ARG 83 4.490 -9.049 -5.582 660 1HB ARG 83 2HB ARG 83 3.841 -11.550 -4.003 661 2HB ARG 83 1HB ARG 83 3.068 -11.180 -5.544 662 1HG ARG 83 2HG ARG 83 6.063 -11.084 -5.337 663 2HG ARG 83 1HG ARG 83 5.255 -12.642 -5.508 664 1HD ARG 83 2HD ARG 83 4.307 -12.047 -7.599 665 2HD ARG 83 1HD ARG 83 4.641 -10.333 -7.355 666 HE ARG 83 HE ARG 83 7.157 -11.365 -7.363 667 1HH1 ARG 83 1HH2 ARG 83 6.193 -13.779 -8.809 668 2HH1 ARG 83 2HH2 ARG 83 6.329 -13.303 -10.469 669 1HH2 ARG 83 2HH1 ARG 83 6.564 -9.917 -9.753 670 2HH2 ARG 83 1HH1 ARG 83 6.540 -11.116 -11.004 671 H TRP 84 H TRP 84 3.678 -7.139 -3.940 672 HA TRP 84 HA TRP 84 1.014 -7.631 -2.833 673 1HB TRP 84 2HB TRP 84 2.631 -5.101 -3.219 674 2HB TRP 84 1HB TRP 84 1.046 -5.136 -2.459 675 HD1 TRP 84 HD1 TRP 84 4.201 -7.357 -2.032 676 HE1 TRP 84 HE1 TRP 84 4.688 -7.559 0.489 677 HE3 TRP 84 HE3 TRP 84 0.459 -4.422 -0.177 678 HZ2 TRP 84 HZ2 TRP 84 3.632 -6.600 2.968 679 HZ3 TRP 84 HZ3 TRP 84 0.224 -4.080 2.266 680 HH2 TRP 84 HH2 TRP 84 1.805 -5.164 3.839 681 H GLU 85 H GLU 85 -0.494 -8.077 -4.392 682 HA GLU 85 HA GLU 85 -0.634 -6.293 -6.776 683 1HB GLU 85 2HB GLU 85 -0.679 -8.947 -6.798 684 2HB GLU 85 1HB GLU 85 -2.384 -8.702 -6.421 685 1HG GLU 85 2HG GLU 85 -2.198 -6.940 -8.409 686 2HG GLU 85 1HG GLU 85 -0.869 -7.995 -8.895 687 H PHE 86 H PHE 86 -1.877 -4.525 -6.268 688 HA PHE 86 HA PHE 86 -4.081 -4.707 -4.349 689 1HB PHE 86 2HB PHE 86 -2.966 -2.476 -6.056 690 2HB PHE 86 1HB PHE 86 -4.413 -2.268 -5.071 691 HD1 PHE 86 HD2 PHE 86 -0.907 -3.580 -4.792 692 HD2 PHE 86 HD1 PHE 86 -4.166 -1.553 -2.861 693 HE1 PHE 86 HE2 PHE 86 0.510 -3.204 -2.790 694 HE2 PHE 86 HE1 PHE 86 -2.750 -1.181 -0.860 695 HZ PHE 86 HZ PHE 86 -0.411 -2.006 -0.825 696 H GLU 87 H GLU 87 -6.061 -5.414 -4.925 697 HA GLU 87 HA GLU 87 -7.100 -4.702 -7.632 698 1HB GLU 87 2HB GLU 87 -6.647 -7.380 -6.505 699 2HB GLU 87 1HB GLU 87 -8.297 -7.144 -7.077 700 1HG GLU 87 2HG GLU 87 -5.976 -6.292 -8.789 701 2HG GLU 87 1HG GLU 87 -6.484 -7.980 -8.764 702 H ASN 88 H ASN 88 -9.420 -4.471 -7.693 703 HA ASN 88 HA ASN 88 -10.584 -3.905 -5.008 704 1HB ASN 88 2HB ASN 88 -10.504 -2.134 -6.861 705 2HB ASN 88 1HB ASN 88 -11.728 -3.098 -7.690 706 1HD2 ASN 88 2HD2 ASN 88 -13.336 -0.530 -5.391 707 2HD2 ASN 88 1HD2 ASN 88 -12.131 -0.389 -6.579 708 H GLU 89 H GLU 89 -12.031 -5.345 -4.211 709 HA GLU 89 HA GLU 89 -14.150 -6.509 -5.737 710 1HB GLU 89 2HB GLU 89 -11.981 -7.778 -6.500 711 2HB GLU 89 1HB GLU 89 -12.143 -8.603 -4.949 712 1HG GLU 89 2HG GLU 89 -14.628 -8.950 -5.667 713 2HG GLU 89 1HG GLU 89 -14.032 -8.603 -7.292 714 H ARG 90 H ARG 90 -11.956 -7.300 -3.016 715 HA ARG 90 HA ARG 90 -14.114 -8.371 -1.392 716 1HB ARG 90 2HB ARG 90 -11.359 -8.520 -1.306 717 2HB ARG 90 1HB ARG 90 -11.711 -7.433 0.036 718 1HG ARG 90 2HG ARG 90 -13.497 -9.163 0.731 719 2HG ARG 90 1HG ARG 90 -12.687 -10.261 -0.389 720 1HD ARG 90 2HD ARG 90 -10.588 -10.023 0.814 721 2HD ARG 90 1HD ARG 90 -11.288 -8.794 1.866 722 HE ARG 90 HE ARG 90 -12.845 -11.192 2.046 723 1HH1 ARG 90 1HH2 ARG 90 -11.359 -9.305 4.115 724 2HH1 ARG 90 2HH2 ARG 90 -10.461 -10.508 4.980 725 1HH2 ARG 90 2HH1 ARG 90 -11.014 -12.992 2.625 726 2HH2 ARG 90 1HH1 ARG 90 -10.266 -12.596 4.136 727 H HIS 91 H HIS 91 -14.751 -7.382 0.721 728 HA HIS 91 HA HIS 91 -14.753 -4.392 0.557 729 1HB HIS 91 2HB HIS 91 -16.926 -6.347 0.934 730 2HB HIS 91 1HB HIS 91 -16.942 -5.037 2.114 731 HD1 HIS 91 HD1 HIS 91 -16.089 -5.024 -1.613 732 HD2 HIS 91 HD2 HIS 91 -18.663 -3.144 1.075 733 HE1 HIS 91 HE1 HIS 91 -17.352 -3.271 -2.936 734 H ALA 92 HN ALA 92 -14.459 -3.258 2.499 735 HA ALA 92 HA ALA 92 -12.891 -4.606 4.528 736 1HB ALA 92 2HB ALA 92 -13.068 -2.028 3.689 737 2HB ALA 92 1HB ALA 92 -14.052 -1.948 5.151 738 3HB ALA 92 3HB ALA 92 -12.379 -2.496 5.243 No H/Q in entry = 738 Start of MODEL 30 Raw file had 756 H/Q atoms Start of MODEL 30 1 1H ALA 1 3H ALA 1 -15.220 15.192 -5.443 2 2H ALA 1 2H ALA 1 -15.642 15.745 -6.992 3 3H ALA 1 1H ALA 1 -16.852 15.411 -5.846 4 HA ALA 1 HA ALA 1 -16.614 13.135 -6.027 5 1HB ALA 1 2HB ALA 1 -16.213 14.533 -8.665 6 2HB ALA 1 1HB ALA 1 -16.303 12.772 -8.595 7 3HB ALA 1 3HB ALA 1 -17.662 13.747 -8.038 8 H ARG 2 H ARG 2 -13.798 14.817 -7.384 9 HA ARG 2 HA ARG 2 -12.214 12.305 -7.199 10 1HB ARG 2 2HB ARG 2 -11.621 14.995 -8.459 11 2HB ARG 2 1HB ARG 2 -10.467 13.664 -8.396 12 1HG ARG 2 2HG ARG 2 -11.375 12.946 -10.338 13 2HG ARG 2 1HG ARG 2 -12.782 12.467 -9.391 14 1HD ARG 2 2HD ARG 2 -13.400 13.922 -11.311 15 2HD ARG 2 1HD ARG 2 -13.812 14.661 -9.763 16 HE ARG 2 HE ARG 2 -11.175 15.472 -10.610 17 1HH1 ARG 2 2HH1 ARG 2 -13.040 17.386 -9.379 18 2HH1 ARG 2 1HH1 ARG 2 -13.536 18.367 -10.717 19 1HH2 ARG 2 1HH2 ARG 2 -12.456 16.108 -13.116 20 2HH2 ARG 2 2HH2 ARG 2 -13.204 17.644 -12.833 21 HA PRO 3 HA PRO 3 -10.934 14.311 -3.369 22 1HB PRO 3 2HB PRO 3 -9.843 12.091 -2.182 23 2HB PRO 3 1HB PRO 3 -11.568 12.493 -2.104 24 1HG PRO 3 2HG PRO 3 -10.205 10.387 -3.694 25 2HG PRO 3 1HG PRO 3 -11.880 10.458 -3.123 26 1HD PRO 3 2HD PRO 3 -10.983 11.016 -5.752 27 2HD PRO 3 1HD PRO 3 -12.598 11.348 -5.098 28 H ALA 4 H ALA 4 -8.788 14.784 -2.512 29 HA ALA 4 HA ALA 4 -6.730 14.902 -4.508 30 1HB ALA 4 1HB ALA 4 -6.993 16.504 -2.590 31 2HB ALA 4 3HB ALA 4 -6.410 15.233 -1.514 32 3HB ALA 4 2HB ALA 4 -5.353 15.878 -2.770 33 H PHE 5 H PHE 5 -7.550 12.480 -2.134 34 HA PHE 5 HA PHE 5 -4.961 11.261 -1.903 35 1HB PHE 5 2HB PHE 5 -6.828 10.801 -0.333 36 2HB PHE 5 1HB PHE 5 -7.696 9.976 -1.627 37 HD1 PHE 5 HD2 PHE 5 -4.424 9.941 0.201 38 HD2 PHE 5 HD1 PHE 5 -7.343 7.689 -2.005 39 HE1 PHE 5 HE2 PHE 5 -3.180 7.850 0.686 40 HE2 PHE 5 HE1 PHE 5 -6.100 5.600 -1.519 41 HZ PHE 5 HZ PHE 5 -4.018 5.680 -0.174 42 H VAL 6 H VAL 6 -7.815 10.155 -3.779 43 HA VAL 6 HA VAL 6 -6.424 8.190 -5.298 44 HB VAL 6 HB VAL 6 -8.856 9.802 -6.137 45 1HG1 VAL 6 1HG1 VAL 6 -7.400 8.068 -7.663 46 2HG1 VAL 6 3HG1 VAL 6 -8.539 6.958 -6.902 47 3HG1 VAL 6 2HG1 VAL 6 -9.134 8.320 -7.851 48 1HG2 VAL 6 2HG2 VAL 6 -8.646 8.320 -3.852 49 2HG2 VAL 6 1HG2 VAL 6 -10.147 8.517 -4.755 50 3HG2 VAL 6 3HG2 VAL 6 -9.152 7.081 -4.998 51 H ASN 7 H ASN 7 -6.842 11.654 -5.786 52 HA ASN 7 HA ASN 7 -5.872 11.758 -8.486 53 1HB ASN 7 2HB ASN 7 -6.083 13.765 -6.245 54 2HB ASN 7 1HB ASN 7 -5.302 14.193 -7.767 55 1HD2 ASN 7 2HD2 ASN 7 -8.831 15.109 -8.270 56 2HD2 ASN 7 1HD2 ASN 7 -7.490 15.678 -7.399 57 H LYS 8 H LYS 8 -4.271 11.702 -5.344 58 HA LYS 8 HA LYS 8 -1.654 12.387 -6.386 59 1HB LYS 8 2HB LYS 8 -0.973 12.345 -4.199 60 2HB LYS 8 1HB LYS 8 -2.699 12.376 -3.883 61 1HG LYS 8 2HG LYS 8 -2.467 9.741 -4.018 62 2HG LYS 8 1HG LYS 8 -0.774 10.077 -3.664 63 1HD LYS 8 2HD LYS 8 -1.831 11.617 -1.769 64 2HD LYS 8 1HD LYS 8 -3.187 10.509 -1.956 65 1HE LYS 8 2HE LYS 8 -0.331 9.776 -1.279 66 2HE LYS 8 1HE LYS 8 -1.746 9.606 -0.244 67 1HZ LYS 8 1HZ LYS 8 -2.515 8.215 -2.390 68 2HZ LYS 8 3HZ LYS 8 -0.841 7.938 -2.438 69 3HZ LYS 8 2HZ LYS 8 -1.729 7.526 -1.051 70 H LEU 9 H LEU 9 -3.487 9.431 -6.021 71 HA LEU 9 HA LEU 9 -1.321 7.566 -6.246 72 1HB LEU 9 2HB LEU 9 -3.800 7.155 -5.605 73 2HB LEU 9 1HB LEU 9 -4.083 7.057 -7.343 74 HG LEU 9 HG LEU 9 -2.169 5.355 -7.407 75 1HD1 LEU 9 3HD1 LEU 9 -1.689 6.141 -4.869 76 2HD1 LEU 9 2HD1 LEU 9 -2.749 4.770 -4.548 77 3HD1 LEU 9 1HD1 LEU 9 -1.260 4.538 -5.463 78 1HD2 LEU 9 1HD2 LEU 9 -4.893 4.989 -6.236 79 2HD2 LEU 9 3HD2 LEU 9 -4.217 4.334 -7.727 80 3HD2 LEU 9 2HD2 LEU 9 -3.790 3.614 -6.174 81 H TRP 10 H TRP 10 -3.254 9.271 -8.687 82 HA TRP 10 HA TRP 10 -2.080 7.778 -10.909 83 1HB TRP 10 2HB TRP 10 -3.493 10.439 -11.121 84 2HB TRP 10 1HB TRP 10 -3.361 9.180 -12.344 85 HD1 TRP 10 HD1 TRP 10 -6.010 10.523 -10.706 86 HE1 TRP 10 HE1 TRP 10 -7.780 8.836 -9.894 87 HE3 TRP 10 HE3 TRP 10 -3.260 6.208 -10.828 88 HZ2 TRP 10 HZ2 TRP 10 -8.005 6.040 -9.366 89 HZ3 TRP 10 HZ3 TRP 10 -4.283 4.054 -10.163 90 HH2 TRP 10 HH2 TRP 10 -6.649 3.963 -9.434 91 H SER 11 H SER 11 -0.710 10.049 -8.906 92 HA SER 11 HA SER 11 0.841 11.346 -11.091 93 1HB SER 11 2HB SER 11 1.184 12.127 -8.229 94 2HB SER 11 1HB SER 11 1.208 13.131 -9.675 95 HG SER 11 HG SER 11 -0.904 13.318 -9.582 96 H MET 12 H MET 12 1.230 9.466 -8.102 97 HA MET 12 HA MET 12 4.151 9.306 -8.480 98 1HB MET 12 2HB MET 12 4.101 7.937 -6.422 99 2HB MET 12 1HB MET 12 3.244 9.459 -6.202 100 1HG MET 12 2HG MET 12 1.506 8.213 -5.457 101 2HG MET 12 1HG MET 12 1.252 7.763 -7.140 102 1HE MET 12 1HE MET 12 0.988 6.711 -4.077 103 2HE MET 12 3HE MET 12 1.606 5.068 -3.855 104 3HE MET 12 2HE MET 12 2.659 6.454 -3.582 105 H VAL 13 H VAL 13 1.306 7.348 -9.119 106 HA VAL 13 HA VAL 13 2.923 4.953 -9.684 107 HB VAL 13 HB VAL 13 -0.013 5.351 -10.308 108 1HG1 VAL 13 3HG1 VAL 13 1.717 2.920 -9.751 109 2HG1 VAL 13 2HG1 VAL 13 -0.027 2.877 -10.006 110 3HG1 VAL 13 1HG1 VAL 13 1.043 3.373 -11.314 111 1HG2 VAL 13 3HG2 VAL 13 0.572 5.862 -7.894 112 2HG2 VAL 13 2HG2 VAL 13 -0.518 4.493 -8.106 113 3HG2 VAL 13 1HG2 VAL 13 1.190 4.217 -7.765 114 H ASN 14 H ASN 14 2.273 7.781 -11.394 115 HA ASN 14 HA ASN 14 1.761 6.734 -14.018 116 1HB ASN 14 2HB ASN 14 2.564 8.939 -14.820 117 2HB ASN 14 1HB ASN 14 1.408 9.104 -13.502 118 1HD2 ASN 14 2HD2 ASN 14 4.079 11.377 -12.494 119 2HD2 ASN 14 1HD2 ASN 14 2.762 11.323 -13.562 120 H ASP 15 H ASP 15 4.562 6.583 -12.041 121 HA ASP 15 HA ASP 15 6.687 5.731 -12.439 122 1HB ASP 15 2HB ASP 15 5.624 4.987 -15.182 123 2HB ASP 15 1HB ASP 15 7.031 4.306 -14.370 124 H LYS 16 H LYS 16 6.491 8.431 -12.701 125 HA LYS 16 HA LYS 16 7.787 9.158 -15.267 126 1HB LYS 16 2HB LYS 16 5.953 10.596 -14.281 127 2HB LYS 16 1HB LYS 16 7.049 10.986 -12.957 128 1HG LYS 16 2HG LYS 16 7.617 12.729 -14.330 129 2HG LYS 16 1HG LYS 16 8.674 11.515 -15.052 130 1HD LYS 16 2HD LYS 16 6.619 10.933 -16.537 131 2HD LYS 16 1HD LYS 16 6.002 12.505 -16.034 132 1HE LYS 16 2HE LYS 16 7.223 13.378 -17.722 133 2HE LYS 16 1HE LYS 16 8.645 13.040 -16.737 134 1HZ LYS 16 1HZ LYS 16 7.418 11.122 -18.643 135 2HZ LYS 16 3HZ LYS 16 8.773 12.082 -18.983 136 3HZ LYS 16 2HZ LYS 16 8.855 10.898 -17.766 137 H SER 17 H SER 17 8.445 10.114 -11.877 138 HA SER 17 HA SER 17 11.338 10.160 -12.471 139 1HB SER 17 2HB SER 17 11.472 11.006 -10.087 140 2HB SER 17 1HB SER 17 10.518 12.015 -11.169 141 HG SER 17 HG SER 17 9.286 11.714 -9.373 142 H ASN 18 H ASN 18 8.974 8.237 -10.748 143 HA ASN 18 HA ASN 18 11.112 6.505 -9.610 144 1HB ASN 18 2HB ASN 18 9.155 5.369 -8.465 145 2HB ASN 18 1HB ASN 18 9.368 7.062 -8.017 146 1HD2 ASN 18 2HD2 ASN 18 6.220 8.034 -9.277 147 2HD2 ASN 18 1HD2 ASN 18 7.608 8.470 -8.409 148 H GLU 19 H GLU 19 10.628 6.603 -12.462 149 HA GLU 19 HA GLU 19 8.994 4.413 -13.350 150 1HB GLU 19 2HB GLU 19 10.306 4.710 -15.495 151 2HB GLU 19 1HB GLU 19 9.562 6.178 -14.890 152 1HG GLU 19 2HG GLU 19 11.567 7.137 -14.291 153 2HG GLU 19 1HG GLU 19 12.350 5.588 -13.999 154 H LYS 20 H LYS 20 9.697 2.678 -11.897 155 HA LYS 20 HA LYS 20 11.323 0.712 -12.968 156 1HB LYS 20 2HB LYS 20 13.371 0.869 -11.437 157 2HB LYS 20 1HB LYS 20 13.335 2.011 -12.775 158 1HG LYS 20 2HG LYS 20 12.562 3.789 -11.317 159 2HG LYS 20 1HG LYS 20 12.358 2.661 -9.979 160 1HD LYS 20 2HD LYS 20 14.504 2.946 -9.371 161 2HD LYS 20 1HD LYS 20 15.050 2.423 -10.964 162 1HE LYS 20 2HE LYS 20 14.189 5.242 -10.241 163 2HE LYS 20 1HE LYS 20 15.855 4.704 -10.446 164 1HZ LYS 20 2HZ LYS 20 15.007 3.916 -12.737 165 2HZ LYS 20 1HZ LYS 20 13.745 5.022 -12.472 166 3HZ LYS 20 3HZ LYS 20 15.353 5.563 -12.505 167 H PHE 21 H PHE 21 10.254 2.338 -10.030 168 HA PHE 21 HA PHE 21 10.409 -0.135 -8.446 169 1HB PHE 21 2HB PHE 21 9.299 2.613 -7.807 170 2HB PHE 21 1HB PHE 21 9.368 1.280 -6.660 171 HD1 PHE 21 HD1 PHE 21 11.873 0.025 -6.908 172 HD2 PHE 21 HD2 PHE 21 10.952 4.185 -7.445 173 HE1 PHE 21 HE1 PHE 21 14.224 0.614 -6.378 174 HE2 PHE 21 HE2 PHE 21 13.300 4.775 -6.917 175 HZ PHE 21 HZ PHE 21 14.937 2.989 -6.383 176 H ILE 22 H ILE 22 7.567 2.016 -8.488 177 HA ILE 22 HA ILE 22 5.796 -0.297 -8.489 178 HB ILE 22 HB ILE 22 5.264 1.779 -7.229 179 1HG1 ILE 22 2HG1 ILE 22 3.196 1.464 -9.400 180 2HG1 ILE 22 1HG1 ILE 22 3.514 0.156 -8.261 181 1HG2 ILE 22 1HG2 ILE 22 6.198 3.256 -9.164 182 2HG2 ILE 22 3HG2 ILE 22 4.586 3.091 -9.857 183 3HG2 ILE 22 2HG2 ILE 22 4.794 3.836 -8.272 184 1HD1 ILE 22 2HD1 ILE 22 3.229 2.751 -6.930 185 2HD1 ILE 22 1HD1 ILE 22 1.786 2.287 -7.832 186 3HD1 ILE 22 3HD1 ILE 22 2.428 1.218 -6.586 187 H HIS 23 H HIS 23 4.020 -0.513 -10.144 188 HA HIS 23 HA HIS 23 4.392 0.744 -12.743 189 1HB HIS 23 2HB HIS 23 6.224 -1.041 -12.573 190 2HB HIS 23 1HB HIS 23 4.921 -2.228 -12.626 191 HD1 HIS 23 HD1 HIS 23 5.961 0.847 -14.653 192 HD2 HIS 23 HD2 HIS 23 4.306 -2.938 -15.207 193 HE1 HIS 23 HE1 HIS 23 5.639 0.566 -17.150 194 H TRP 24 H TRP 24 2.670 0.289 -14.165 195 HA TRP 24 HA TRP 24 0.188 -0.525 -12.908 196 1HB TRP 24 2HB TRP 24 0.975 0.181 -15.744 197 2HB TRP 24 1HB TRP 24 -0.652 -0.352 -15.343 198 HD1 TRP 24 HD1 TRP 24 0.671 1.653 -12.522 199 HE1 TRP 24 HE1 TRP 24 -0.260 4.058 -12.617 200 HE3 TRP 24 HE3 TRP 24 -1.274 1.675 -17.249 201 HZ2 TRP 24 HZ2 TRP 24 -1.637 5.764 -14.447 202 HZ3 TRP 24 HZ3 TRP 24 -2.387 3.702 -18.139 203 HH2 TRP 24 HH2 TRP 24 -2.569 5.745 -16.746 204 H SER 25 H SER 25 -1.138 -2.345 -13.622 205 HA SER 25 HA SER 25 0.487 -4.735 -14.210 206 1HB SER 25 2HB SER 25 -1.577 -4.435 -12.542 207 2HB SER 25 1HB SER 25 -2.493 -4.844 -13.990 208 HG SER 25 HG SER 25 -2.008 -6.792 -13.247 209 H THR 26 H THR 26 -1.378 -6.259 -15.666 210 HA THR 26 HA THR 26 -0.912 -5.273 -18.341 211 HB THR 26 HB THR 26 -2.798 -7.479 -17.464 212 HG1 THR 26 HG1 THR 26 -0.677 -7.805 -16.714 213 1HG2 THR 26 2HG2 THR 26 -2.689 -6.400 -19.902 214 2HG2 THR 26 1HG2 THR 26 -1.287 -7.461 -20.040 215 3HG2 THR 26 3HG2 THR 26 -2.873 -8.139 -19.674 216 H SER 27 H SER 27 -3.601 -5.085 -16.092 217 HA SER 27 HA SER 27 -5.469 -4.116 -18.141 218 1HB SER 27 2HB SER 27 -7.072 -3.966 -16.353 219 2HB SER 27 1HB SER 27 -6.166 -5.455 -16.104 220 HG SER 27 HG SER 27 -5.886 -4.598 -14.189 221 H GLY 28 H GLY 28 -3.854 -2.722 -15.265 222 1HA GLY 28 2HA GLY 28 -2.767 -0.463 -15.729 223 2HA GLY 28 1HA GLY 28 -4.305 -0.020 -16.472 224 H GLU 29 H GLU 29 -6.077 -1.166 -14.610 225 HA GLU 29 HA GLU 29 -6.037 0.851 -12.526 226 1HB GLU 29 2HB GLU 29 -7.842 -1.350 -13.380 227 2HB GLU 29 1HB GLU 29 -7.943 -0.880 -11.683 228 1HG GLU 29 2HG GLU 29 -8.762 1.213 -12.166 229 2HG GLU 29 1HG GLU 29 -7.869 1.324 -13.684 230 H SER 30 H SER 30 -4.971 -2.474 -12.763 231 HA SER 30 HA SER 30 -4.750 -2.828 -9.860 232 1HB SER 30 2HB SER 30 -5.176 -4.676 -11.602 233 2HB SER 30 1HB SER 30 -3.461 -4.553 -11.973 234 HG SER 30 HG SER 30 -4.208 -6.102 -10.268 235 H ILE 31 H ILE 31 -2.815 -2.820 -8.677 236 HA ILE 31 HA ILE 31 -0.445 -1.644 -10.088 237 HB ILE 31 HB ILE 31 -1.263 -1.268 -7.186 238 1HG1 ILE 31 2HG1 ILE 31 -1.360 0.808 -9.382 239 2HG1 ILE 31 1HG1 ILE 31 -2.750 -0.216 -9.017 240 1HG2 ILE 31 1HG2 ILE 31 1.023 -0.337 -8.897 241 2HG2 ILE 31 3HG2 ILE 31 0.428 0.719 -7.616 242 3HG2 ILE 31 2HG2 ILE 31 1.035 -0.890 -7.221 243 1HD1 ILE 31 1HD1 ILE 31 -1.313 1.537 -7.002 244 2HD1 ILE 31 3HD1 ILE 31 -2.839 1.942 -7.787 245 3HD1 ILE 31 2HD1 ILE 31 -2.749 0.561 -6.694 246 H VAL 32 H VAL 32 1.522 -2.707 -9.782 247 HA VAL 32 HA VAL 32 1.473 -5.021 -7.874 248 HB VAL 32 HB VAL 32 3.044 -4.803 -10.460 249 1HG1 VAL 32 2HG1 VAL 32 2.787 -6.889 -8.301 250 2HG1 VAL 32 1HG1 VAL 32 3.171 -7.368 -9.953 251 3HG1 VAL 32 3HG1 VAL 32 4.247 -6.278 -9.079 252 1HG2 VAL 32 1HG2 VAL 32 0.589 -5.006 -10.816 253 2HG2 VAL 32 3HG2 VAL 32 1.450 -6.457 -11.328 254 3HG2 VAL 32 2HG2 VAL 32 0.578 -6.443 -9.794 255 H VAL 33 H VAL 33 3.217 -5.250 -6.495 256 HA VAL 33 HA VAL 33 5.305 -3.109 -6.636 257 HB VAL 33 HB VAL 33 4.289 -4.573 -4.179 258 1HG1 VAL 33 1HG1 VAL 33 6.414 -2.512 -4.687 259 2HG1 VAL 33 3HG1 VAL 33 5.533 -2.473 -3.159 260 3HG1 VAL 33 2HG1 VAL 33 6.449 -3.910 -3.612 261 1HG2 VAL 33 2HG2 VAL 33 3.010 -2.546 -5.613 262 2HG2 VAL 33 1HG2 VAL 33 2.711 -2.967 -3.928 263 3HG2 VAL 33 3HG2 VAL 33 3.848 -1.680 -4.325 264 HA PRO 34 HA PRO 34 7.496 -7.037 -7.256 265 1HB PRO 34 2HB PRO 34 9.687 -5.959 -8.505 266 2HB PRO 34 1HB PRO 34 8.211 -6.433 -9.362 267 1HG PRO 34 2HG PRO 34 9.198 -3.710 -8.698 268 2HG PRO 34 1HG PRO 34 8.119 -4.227 -10.004 269 1HD PRO 34 2HD PRO 34 7.336 -2.984 -7.582 270 2HD PRO 34 1HD PRO 34 6.262 -3.759 -8.762 271 H ASN 35 H ASN 35 8.556 -3.941 -5.974 272 HA ASN 35 HA ASN 35 10.271 -5.394 -4.010 273 1HB ASN 35 2HB ASN 35 10.974 -2.998 -5.702 274 2HB ASN 35 1HB ASN 35 11.754 -3.259 -4.144 275 1HD2 ASN 35 2HD2 ASN 35 14.076 -5.077 -6.191 276 2HD2 ASN 35 1HD2 ASN 35 13.783 -3.557 -5.495 277 H ARG 36 H ARG 36 8.573 -5.140 -2.451 278 HA ARG 36 HA ARG 36 7.327 -2.592 -1.920 279 1HB ARG 36 2HB ARG 36 6.568 -3.685 0.201 280 2HB ARG 36 1HB ARG 36 6.210 -4.637 -1.237 281 1HG ARG 36 2HG ARG 36 7.403 -6.365 -0.431 282 2HG ARG 36 1HG ARG 36 8.836 -5.351 -0.302 283 1HD ARG 36 2HD ARG 36 6.660 -5.715 1.774 284 2HD ARG 36 1HD ARG 36 8.349 -6.203 1.903 285 HE ARG 36 HE ARG 36 8.853 -3.683 1.783 286 1HH1 ARG 36 2HH1 ARG 36 5.553 -4.045 1.880 287 2HH1 ARG 36 1HH1 ARG 36 5.298 -3.112 3.317 288 1HH2 ARG 36 1HH2 ARG 36 8.672 -2.886 4.083 289 2HH2 ARG 36 2HH2 ARG 36 7.065 -2.454 4.564 290 H GLU 37 H GLU 37 10.273 -4.134 -0.821 291 HA GLU 37 HA GLU 37 10.668 -2.089 1.281 292 1HB GLU 37 2HB GLU 37 11.287 -4.463 1.727 293 2HB GLU 37 1HB GLU 37 12.482 -4.372 0.432 294 1HG GLU 37 2HG GLU 37 13.898 -3.012 1.638 295 2HG GLU 37 1HG GLU 37 12.581 -2.261 2.538 296 H ARG 38 H ARG 38 10.542 -0.920 -1.209 297 HA ARG 38 HA ARG 38 13.169 0.328 -1.389 298 1HB ARG 38 2HB ARG 38 13.053 -1.878 -2.900 299 2HB ARG 38 1HB ARG 38 12.229 -0.778 -4.005 300 1HG ARG 38 2HG ARG 38 14.508 -0.561 -4.591 301 2HG ARG 38 1HG ARG 38 14.200 0.836 -3.562 302 1HD ARG 38 2HD ARG 38 15.998 0.125 -2.378 303 2HD ARG 38 1HD ARG 38 14.903 -1.090 -1.718 304 HE ARG 38 HE ARG 38 15.747 -2.386 -3.917 305 1HH1 ARG 38 1HH2 ARG 38 18.085 -1.218 -4.713 306 2HH1 ARG 38 2HH2 ARG 38 19.312 -1.688 -3.585 307 1HH2 ARG 38 1HH1 ARG 38 18.729 -2.503 -1.556 308 2HH2 ARG 38 2HH1 ARG 38 17.057 -2.655 -1.132 309 H PHE 39 H PHE 39 10.062 -0.188 -3.049 310 HA PHE 39 HA PHE 39 9.876 2.388 -4.265 311 1HB PHE 39 2HB PHE 39 8.367 0.730 -5.058 312 2HB PHE 39 1HB PHE 39 7.856 0.294 -3.435 313 HD1 PHE 39 HD2 PHE 39 6.352 1.771 -2.145 314 HD2 PHE 39 HD1 PHE 39 7.360 2.603 -6.239 315 HE1 PHE 39 HE2 PHE 39 4.437 3.343 -2.300 316 HE2 PHE 39 HE1 PHE 39 5.448 4.173 -6.393 317 HZ PHE 39 HZ PHE 39 3.989 4.543 -4.421 318 H VAL 40 H VAL 40 8.653 1.171 -1.135 319 HA VAL 40 HA VAL 40 7.413 3.572 -0.255 320 HB VAL 40 HB VAL 40 8.833 1.498 1.449 321 1HG1 VAL 40 2HG1 VAL 40 7.079 3.830 2.018 322 2HG1 VAL 40 1HG1 VAL 40 6.724 2.356 2.918 323 3HG1 VAL 40 3HG1 VAL 40 8.325 3.087 3.019 324 1HG2 VAL 40 2HG2 VAL 40 6.983 0.736 -0.225 325 2HG2 VAL 40 1HG2 VAL 40 6.856 0.229 1.459 326 3HG2 VAL 40 3HG2 VAL 40 5.879 1.572 0.866 327 H GLN 41 H GLN 41 10.665 2.336 0.498 328 HA GLN 41 HA GLN 41 11.506 4.733 1.848 329 1HB GLN 41 2HB GLN 41 13.054 2.410 0.685 330 2HB GLN 41 1HB GLN 41 13.799 3.704 1.627 331 1HG GLN 41 2HG GLN 41 12.509 3.159 3.567 332 2HG GLN 41 1HG GLN 41 11.455 2.087 2.645 333 1HE2 GLN 41 2HE2 GLN 41 14.142 0.112 4.460 334 2HE2 GLN 41 1HE2 GLN 41 13.047 1.297 4.989 335 H GLU 42 H GLU 42 11.062 4.229 -1.486 336 HA GLU 42 HA GLU 42 12.871 6.544 -2.029 337 1HB GLU 42 2HB GLU 42 12.687 3.945 -3.551 338 2HB GLU 42 1HB GLU 42 13.319 5.413 -4.292 339 1HG GLU 42 2HG GLU 42 14.875 5.568 -2.245 340 2HG GLU 42 1HG GLU 42 14.419 3.893 -1.928 341 H VAL 43 H VAL 43 9.783 5.980 -1.815 342 HA VAL 43 HA VAL 43 9.137 7.672 -4.149 343 HB VAL 43 HB VAL 43 7.632 5.078 -3.721 344 1HG1 VAL 43 3HG1 VAL 43 7.417 7.431 -5.540 345 2HG1 VAL 43 2HG1 VAL 43 7.081 5.841 -6.226 346 3HG1 VAL 43 1HG1 VAL 43 6.146 6.423 -4.848 347 1HG2 VAL 43 2HG2 VAL 43 9.796 5.804 -5.722 348 2HG2 VAL 43 1HG2 VAL 43 9.868 4.528 -4.505 349 3HG2 VAL 43 3HG2 VAL 43 8.752 4.388 -5.864 350 H LEU 44 H LEU 44 7.958 6.094 -1.162 351 HA LEU 44 HA LEU 44 5.493 7.578 -1.121 352 1HB LEU 44 2HB LEU 44 5.980 5.441 0.166 353 2HB LEU 44 1HB LEU 44 6.867 6.440 1.313 354 HG LEU 44 HG LEU 44 4.842 7.835 1.645 355 1HD1 LEU 44 1HD1 LEU 44 3.791 5.954 -0.439 356 2HD1 LEU 44 3HD1 LEU 44 2.683 6.552 0.796 357 3HD1 LEU 44 2HD1 LEU 44 3.521 7.688 -0.261 358 1HD2 LEU 44 2HD2 LEU 44 5.404 5.699 2.972 359 2HD2 LEU 44 1HD2 LEU 44 3.752 6.308 3.081 360 3HD2 LEU 44 3HD2 LEU 44 4.117 4.933 2.040 361 HA PRO 45 HA PRO 45 7.619 10.538 1.871 362 1HB PRO 45 2HB PRO 45 10.356 10.619 1.988 363 2HB PRO 45 1HB PRO 45 9.357 9.667 3.100 364 1HG PRO 45 2HG PRO 45 11.005 8.745 0.793 365 2HG PRO 45 1HG PRO 45 10.572 7.886 2.281 366 1HD PRO 45 2HD PRO 45 9.366 7.493 -0.221 367 2HD PRO 45 1HD PRO 45 8.700 6.991 1.343 368 H LYS 46 H LYS 46 8.732 9.769 -1.295 369 HA LYS 46 HA LYS 46 10.081 12.240 -1.917 370 1HB LYS 46 2HB LYS 46 9.840 9.856 -3.189 371 2HB LYS 46 1HB LYS 46 8.663 10.805 -4.095 372 1HG LYS 46 2HG LYS 46 10.297 12.424 -4.721 373 2HG LYS 46 1HG LYS 46 11.460 11.810 -3.544 374 1HD LYS 46 2HD LYS 46 11.650 9.706 -4.791 375 2HD LYS 46 1HD LYS 46 10.439 10.263 -5.946 376 1HE LYS 46 2HE LYS 46 11.901 11.670 -7.005 377 2HE LYS 46 1HE LYS 46 12.745 12.083 -5.512 378 1HZ LYS 46 2HZ LYS 46 12.969 9.375 -6.652 379 2HZ LYS 46 1HZ LYS 46 13.932 10.636 -7.254 380 3HZ LYS 46 3HZ LYS 46 14.042 10.194 -5.620 381 H TYR 47 H TYR 47 6.708 11.197 -2.023 382 HA TYR 47 HA TYR 47 5.933 13.843 -3.158 383 1HB TYR 47 2HB TYR 47 4.430 11.236 -2.837 384 2HB TYR 47 1HB TYR 47 3.650 12.736 -3.338 385 HD1 TYR 47 HD2 TYR 47 6.557 10.528 -4.190 386 HD2 TYR 47 HD1 TYR 47 3.616 13.323 -5.604 387 HE1 TYR 47 HE2 TYR 47 7.303 10.135 -6.522 388 HE2 TYR 47 HE1 TYR 47 4.363 12.930 -7.936 389 HH TYR 47 HH TYR 47 5.778 10.568 -9.039 390 H PHE 48 H PHE 48 5.757 11.902 -0.255 391 HA PHE 48 HA PHE 48 4.328 14.149 1.093 392 1HB PHE 48 2HB PHE 48 3.903 11.211 1.725 393 2HB PHE 48 1HB PHE 48 3.027 12.581 2.405 394 HD1 PHE 48 HD2 PHE 48 3.756 10.844 -0.829 395 HD2 PHE 48 HD1 PHE 48 1.082 13.399 1.358 396 HE1 PHE 48 HE2 PHE 48 2.124 10.732 -2.692 397 HE2 PHE 48 HE1 PHE 48 -0.555 13.280 -0.506 398 HZ PHE 48 HZ PHE 48 -0.026 11.950 -2.527 399 H LYS 49 H LYS 49 4.461 13.088 3.696 400 HA LYS 49 HA LYS 49 7.320 12.447 4.171 401 1HB LYS 49 2HB LYS 49 5.935 14.987 4.913 402 2HB LYS 49 1HB LYS 49 7.046 14.291 6.093 403 1HG LYS 49 2HG LYS 49 8.642 15.404 4.916 404 2HG LYS 49 1HG LYS 49 8.509 14.053 3.791 405 1HD LYS 49 2HD LYS 49 6.951 15.265 2.406 406 2HD LYS 49 1HD LYS 49 6.819 16.560 3.598 407 1HE LYS 49 2HE LYS 49 8.338 17.432 2.024 408 2HE LYS 49 1HE LYS 49 9.386 16.802 3.294 409 1HZ LYS 49 3HZ LYS 49 8.595 15.114 1.007 410 2HZ LYS 49 2HZ LYS 49 9.904 16.188 0.879 411 3HZ LYS 49 1HZ LYS 49 9.930 14.947 2.039 412 H HIS 50 H HIS 50 4.482 13.481 6.095 413 HA HIS 50 HA HIS 50 5.031 11.586 8.202 414 1HB HIS 50 2HB HIS 50 2.589 13.243 7.530 415 2HB HIS 50 1HB HIS 50 2.713 12.242 8.977 416 HD1 HIS 50 HD1 HIS 50 4.633 12.890 10.700 417 HD2 HIS 50 HD2 HIS 50 3.980 15.675 7.666 418 HE1 HIS 50 HE1 HIS 50 5.793 15.023 11.423 419 H SER 51 H SER 51 3.490 11.242 5.136 420 HA SER 51 HA SER 51 1.725 9.053 5.947 421 1HB SER 51 2HB SER 51 1.679 10.769 3.851 422 2HB SER 51 1HB SER 51 2.450 9.383 3.088 423 HG SER 51 HG SER 51 0.695 8.161 3.524 424 H ASN 52 H ASN 52 2.429 7.017 6.278 425 HA ASN 52 HA ASN 52 4.902 6.117 4.851 426 1HB ASN 52 2HB ASN 52 4.448 6.246 7.603 427 2HB ASN 52 1HB ASN 52 4.177 4.548 7.214 428 1HD2 ASN 52 2HD2 ASN 52 7.671 4.039 7.245 429 2HD2 ASN 52 1HD2 ASN 52 6.144 3.525 7.779 430 H PHE 53 H PHE 53 4.839 3.498 4.896 431 HA PHE 53 HA PHE 53 2.870 2.637 3.092 432 1HB PHE 53 2HB PHE 53 3.429 0.299 3.929 433 2HB PHE 53 1HB PHE 53 4.801 1.260 3.385 434 HD1 PHE 53 HD1 PHE 53 2.893 0.235 6.428 435 HD2 PHE 53 HD2 PHE 53 6.589 1.753 4.854 436 HE1 PHE 53 HE1 PHE 53 3.951 -0.024 8.658 437 HE2 PHE 53 HE2 PHE 53 7.645 1.497 7.081 438 HZ PHE 53 HZ PHE 53 6.326 0.608 8.984 439 H ALA 54 H ALA 54 2.684 2.862 6.578 440 HA ALA 54 HA ALA 54 0.367 1.194 6.941 441 1HB ALA 54 2HB ALA 54 2.080 2.421 8.650 442 2HB ALA 54 1HB ALA 54 0.716 3.536 8.737 443 3HB ALA 54 3HB ALA 54 0.491 1.834 9.138 444 H SER 55 H SER 55 0.751 4.720 6.483 445 HA SER 55 HA SER 55 -2.087 5.262 6.537 446 1HB SER 55 2HB SER 55 -0.622 7.094 6.992 447 2HB SER 55 1HB SER 55 0.299 6.816 5.518 448 HG SER 55 HG SER 55 -2.459 7.493 5.578 449 H PHE 56 H PHE 56 0.060 4.050 4.090 450 HA PHE 56 HA PHE 56 -1.530 4.869 1.801 451 1HB PHE 56 2HB PHE 56 0.891 4.333 1.646 452 2HB PHE 56 1HB PHE 56 0.537 2.660 2.068 453 HD1 PHE 56 HD2 PHE 56 -1.198 5.071 -0.231 454 HD2 PHE 56 HD1 PHE 56 0.886 1.338 0.174 455 HE1 PHE 56 HE2 PHE 56 -1.642 4.565 -2.619 456 HE2 PHE 56 HE1 PHE 56 0.442 0.832 -2.212 457 HZ PHE 56 HZ PHE 56 -0.821 2.444 -3.610 458 H VAL 57 H VAL 57 -1.168 1.829 3.624 459 HA VAL 57 HA VAL 57 -3.140 0.399 2.057 460 HB VAL 57 HB VAL 57 -2.088 -0.214 4.839 461 1HG1 VAL 57 3HG1 VAL 57 -3.780 -1.658 2.850 462 2HG1 VAL 57 2HG1 VAL 57 -2.567 -2.607 3.709 463 3HG1 VAL 57 1HG1 VAL 57 -3.806 -1.734 4.611 464 1HG2 VAL 57 1HG2 VAL 57 -0.554 0.039 2.593 465 2HG2 VAL 57 3HG2 VAL 57 -0.192 -1.081 3.905 466 3HG2 VAL 57 2HG2 VAL 57 -1.038 -1.650 2.466 467 H ARG 58 H ARG 58 -3.239 2.373 4.963 468 HA ARG 58 HA ARG 58 -5.878 1.558 5.817 469 1HB ARG 58 2HB ARG 58 -3.815 3.219 6.802 470 2HB ARG 58 1HB ARG 58 -5.212 4.275 6.602 471 1HG ARG 58 2HG ARG 58 -6.478 3.126 8.163 472 2HG ARG 58 1HG ARG 58 -5.644 1.599 7.871 473 1HD ARG 58 2HD ARG 58 -4.893 2.320 10.015 474 2HD ARG 58 1HD ARG 58 -3.576 2.703 8.907 475 HE ARG 58 HE ARG 58 -4.572 5.069 8.883 476 1HH1 ARG 58 1HH2 ARG 58 -6.744 3.875 10.847 477 2HH1 ARG 58 2HH2 ARG 58 -6.233 4.635 12.316 478 1HH2 ARG 58 2HH1 ARG 58 -3.160 5.616 11.047 479 2HH2 ARG 58 1HH1 ARG 58 -4.203 5.622 12.428 480 H GLN 59 H GLN 59 -4.684 4.372 3.956 481 HA GLN 59 HA GLN 59 -7.266 5.561 3.565 482 1HB GLN 59 2HB GLN 59 -4.715 5.761 1.948 483 2HB GLN 59 1HB GLN 59 -6.140 6.760 1.664 484 1HG GLN 59 2HG GLN 59 -4.603 6.610 4.275 485 2HG GLN 59 1HG GLN 59 -4.478 7.916 3.098 486 1HE2 GLN 59 2HE2 GLN 59 -7.986 8.916 3.773 487 2HE2 GLN 59 1HE2 GLN 59 -7.068 8.494 2.409 488 H LEU 60 H LEU 60 -5.421 3.189 1.652 489 HA LEU 60 HA LEU 60 -7.160 3.158 -0.617 490 1HB LEU 60 2HB LEU 60 -5.479 0.920 0.552 491 2HB LEU 60 1HB LEU 60 -6.238 0.883 -1.036 492 HG LEU 60 HG LEU 60 -4.428 3.163 -0.273 493 1HD1 LEU 60 2HD1 LEU 60 -3.272 0.931 0.097 494 2HD1 LEU 60 1HD1 LEU 60 -3.524 0.603 -1.617 495 3HD1 LEU 60 3HD1 LEU 60 -2.521 1.965 -1.118 496 1HD2 LEU 60 3HD2 LEU 60 -5.497 1.910 -2.798 497 2HD2 LEU 60 2HD2 LEU 60 -5.575 3.595 -2.284 498 3HD2 LEU 60 1HD2 LEU 60 -4.047 2.913 -2.841 499 H ASN 61 H ASN 61 -7.217 1.318 2.428 500 HA ASN 61 HA ASN 61 -9.549 -0.242 1.682 501 1HB ASN 61 2HB ASN 61 -7.803 0.066 4.034 502 2HB ASN 61 1HB ASN 61 -9.486 -0.269 4.443 503 1HD2 ASN 61 2HD2 ASN 61 -7.557 -3.063 2.105 504 2HD2 ASN 61 1HD2 ASN 61 -7.189 -1.420 1.893 505 H MET 62 H MET 62 -9.079 2.960 2.954 506 HA MET 62 HA MET 62 -11.602 3.264 4.285 507 1HB MET 62 2HB MET 62 -9.388 4.799 4.127 508 2HB MET 62 1HB MET 62 -10.399 5.628 2.943 509 1HG MET 62 2HG MET 62 -12.227 5.736 4.645 510 2HG MET 62 1HG MET 62 -11.122 5.033 5.826 511 1HE MET 62 2HE MET 62 -10.931 6.484 7.487 512 2HE MET 62 1HE MET 62 -9.217 6.408 7.092 513 3HE MET 62 3HE MET 62 -9.967 7.957 7.503 514 H TYR 63 H TYR 63 -10.565 4.263 1.003 515 HA TYR 63 HA TYR 63 -13.309 4.962 0.260 516 1HB TYR 63 2HB TYR 63 -10.933 4.591 -1.585 517 2HB TYR 63 1HB TYR 63 -12.391 5.530 -1.894 518 HD1 TYR 63 HD2 TYR 63 -12.860 7.576 -0.449 519 HD2 TYR 63 HD1 TYR 63 -9.077 5.542 -0.458 520 HE1 TYR 63 HE2 TYR 63 -11.783 9.576 0.545 521 HE2 TYR 63 HE1 TYR 63 -8.000 7.542 0.533 522 HH TYR 63 HH TYR 63 -9.602 9.948 2.023 523 H GLY 64 H GLY 64 -10.999 2.412 -0.652 524 1HA GLY 64 2HA GLY 64 -12.975 0.353 -0.802 525 2HA GLY 64 1HA GLY 64 -12.660 0.966 -2.426 526 H TRP 65 H TRP 65 -11.006 0.025 -3.498 527 HA TRP 65 HA TRP 65 -9.154 -1.334 -3.941 528 1HB TRP 65 2HB TRP 65 -8.309 0.130 -1.444 529 2HB TRP 65 1HB TRP 65 -7.248 -1.043 -2.221 530 HD1 TRP 65 HD1 TRP 65 -8.471 2.473 -2.502 531 HE1 TRP 65 HE1 TRP 65 -7.490 3.580 -4.615 532 HE3 TRP 65 HE3 TRP 65 -6.512 -1.633 -4.822 533 HZ2 TRP 65 HZ2 TRP 65 -6.063 2.824 -6.974 534 HZ3 TRP 65 HZ3 TRP 65 -5.351 -1.413 -6.999 535 HH2 TRP 65 HH2 TRP 65 -5.123 0.809 -8.078 536 H HIS 66 H HIS 66 -9.735 -3.454 -3.826 537 HA HIS 66 HA HIS 66 -9.623 -4.755 -1.130 538 1HB HIS 66 2HB HIS 66 -11.353 -5.482 -3.514 539 2HB HIS 66 1HB HIS 66 -11.257 -6.408 -2.016 540 HD1 HIS 66 HD1 HIS 66 -11.299 -4.152 0.055 541 HD2 HIS 66 HD2 HIS 66 -13.826 -4.250 -3.259 542 HE1 HIS 66 HE1 HIS 66 -13.299 -2.709 0.635 543 H LYS 67 H LYS 67 -8.045 -6.267 -0.959 544 HA LYS 67 HA LYS 67 -6.229 -6.869 -3.075 545 1HB LYS 67 2HB LYS 67 -6.815 -8.359 -0.496 546 2HB LYS 67 1HB LYS 67 -5.448 -8.708 -1.553 547 1HG LYS 67 2HG LYS 67 -4.263 -6.964 -0.747 548 2HG LYS 67 1HG LYS 67 -5.621 -5.857 -0.954 549 1HD LYS 67 2HD LYS 67 -6.510 -6.366 1.178 550 2HD LYS 67 1HD LYS 67 -5.553 -7.840 1.320 551 1HE LYS 67 2HE LYS 67 -3.514 -6.181 1.134 552 2HE LYS 67 1HE LYS 67 -4.696 -4.986 1.668 553 1HZ LYS 67 2HZ LYS 67 -5.244 -6.688 3.471 554 2HZ LYS 67 1HZ LYS 67 -3.758 -7.408 3.072 555 3HZ LYS 67 3HZ LYS 67 -3.800 -5.807 3.629 556 H VAL 68 H VAL 68 -5.854 -9.144 -3.926 557 HA VAL 68 HA VAL 68 -8.283 -10.122 -5.166 558 HB VAL 68 HB VAL 68 -6.763 -11.920 -6.071 559 1HG1 VAL 68 3HG1 VAL 68 -6.230 -8.982 -6.326 560 2HG1 VAL 68 2HG1 VAL 68 -5.168 -10.115 -7.161 561 3HG1 VAL 68 1HG1 VAL 68 -6.896 -10.104 -7.512 562 1HG2 VAL 68 3HG2 VAL 68 -5.251 -11.785 -3.981 563 2HG2 VAL 68 2HG2 VAL 68 -4.449 -11.938 -5.543 564 3HG2 VAL 68 1HG2 VAL 68 -4.533 -10.368 -4.745 565 H GLN 69 H GLN 69 -9.521 -11.881 -4.615 566 HA GLN 69 HA GLN 69 -8.826 -13.246 -2.053 567 1HB GLN 69 2HB GLN 69 -11.146 -11.977 -2.741 568 2HB GLN 69 1HB GLN 69 -11.526 -13.633 -3.213 569 1HG GLN 69 2HG GLN 69 -12.130 -13.771 -0.997 570 2HG GLN 69 1HG GLN 69 -10.413 -14.136 -0.817 571 1HE2 GLN 69 2HE2 GLN 69 -9.726 -11.199 1.005 572 2HE2 GLN 69 1HE2 GLN 69 -9.146 -12.671 0.392 573 H ASP 70 H ASP 70 -9.444 -13.759 -5.455 574 HA ASP 70 HA ASP 70 -9.412 -16.708 -5.086 575 1HB ASP 70 2HB ASP 70 -9.931 -16.734 -7.548 576 2HB ASP 70 1HB ASP 70 -11.141 -15.888 -6.584 577 H VAL 71 H VAL 71 -7.344 -17.458 -4.921 578 HA VAL 71 HA VAL 71 -5.478 -16.945 -7.135 579 HB VAL 71 HB VAL 71 -3.617 -16.333 -5.512 580 1HG1 VAL 71 1HG1 VAL 71 -4.953 -14.734 -7.012 581 2HG1 VAL 71 3HG1 VAL 71 -5.846 -14.293 -5.556 582 3HG1 VAL 71 2HG1 VAL 71 -4.108 -14.011 -5.643 583 1HG2 VAL 71 3HG2 VAL 71 -6.017 -15.888 -3.705 584 2HG2 VAL 71 2HG2 VAL 71 -4.685 -17.011 -3.426 585 3HG2 VAL 71 1HG2 VAL 71 -4.397 -15.272 -3.378 586 H LYS 72 H LYS 72 -5.968 -18.451 -3.939 587 HA LYS 72 HA LYS 72 -5.471 -20.613 -3.193 588 1HB LYS 72 2HB LYS 72 -6.496 -21.187 -5.469 589 2HB LYS 72 1HB LYS 72 -4.843 -21.311 -6.070 590 1HG LYS 72 2HG LYS 72 -4.621 -23.370 -5.184 591 2HG LYS 72 1HG LYS 72 -5.063 -22.771 -3.585 592 1HD LYS 72 2HD LYS 72 -7.495 -22.860 -4.395 593 2HD LYS 72 1HD LYS 72 -6.894 -23.806 -5.758 594 1HE LYS 72 2HE LYS 72 -7.575 -25.377 -4.068 595 2HE LYS 72 1HE LYS 72 -5.812 -25.358 -4.067 596 1HZ LYS 72 3HZ LYS 72 -7.420 -23.646 -2.266 597 2HZ LYS 72 2HZ LYS 72 -6.927 -25.213 -1.831 598 3HZ LYS 72 1HZ LYS 72 -5.767 -24.014 -2.159 599 H SER 73 H SER 73 -3.456 -18.748 -2.935 600 HA SER 73 HA SER 73 -0.946 -19.676 -4.069 601 1HB SER 73 2HB SER 73 -0.051 -18.182 -2.098 602 2HB SER 73 1HB SER 73 -0.855 -17.422 -3.467 603 HG SER 73 HG SER 73 -2.480 -16.910 -2.219 604 H GLY 74 H GLY 74 -2.168 -19.677 -0.699 605 1HA GLY 74 2HA GLY 74 -2.084 -21.526 0.821 606 2HA GLY 74 1HA GLY 74 -1.033 -22.379 -0.311 607 H SER 75 H SER 75 -0.688 -19.103 1.054 608 HA SER 75 HA SER 75 1.314 -19.765 2.982 609 1HB SER 75 2HB SER 75 2.328 -20.081 0.461 610 2HB SER 75 1HB SER 75 2.726 -18.394 0.770 611 HG SER 75 HG SER 75 3.976 -20.519 1.655 612 H MET 76 H MET 76 0.277 -18.169 4.215 613 HA MET 76 HA MET 76 0.068 -15.439 3.106 614 1HB MET 76 2HB MET 76 -1.828 -16.387 4.396 615 2HB MET 76 1HB MET 76 -0.789 -16.522 5.813 616 1HG MET 76 2HG MET 76 -0.377 -14.019 5.602 617 2HG MET 76 1HG MET 76 -1.657 -13.992 4.395 618 1HE MET 76 2HE MET 76 -3.632 -13.357 4.764 619 2HE MET 76 1HE MET 76 -4.594 -13.298 6.239 620 3HE MET 76 3HE MET 76 -3.207 -12.217 6.039 621 H LEU 77 H LEU 77 0.722 -15.482 6.526 622 HA LEU 77 HA LEU 77 3.307 -14.163 5.990 623 1HB LEU 77 2HB LEU 77 1.497 -14.387 8.389 624 2HB LEU 77 1HB LEU 77 3.166 -13.848 8.573 625 HG LEU 77 HG LEU 77 1.639 -12.558 6.379 626 1HD1 LEU 77 1HD1 LEU 77 -0.028 -12.738 8.257 627 2HD1 LEU 77 3HD1 LEU 77 1.099 -11.839 9.274 628 3HD1 LEU 77 2HD1 LEU 77 0.404 -11.078 7.843 629 1HD2 LEU 77 3HD2 LEU 77 4.028 -12.066 7.241 630 2HD2 LEU 77 2HD2 LEU 77 2.963 -10.685 6.975 631 3HD2 LEU 77 1HD2 LEU 77 3.232 -11.289 8.610 632 H SER 78 H SER 78 4.348 -16.212 5.317 633 HA SER 78 HA SER 78 5.078 -17.918 7.665 634 1HB SER 78 2HB SER 78 3.807 -18.824 5.463 635 2HB SER 78 1HB SER 78 5.472 -18.966 4.909 636 HG SER 78 HG SER 78 4.402 -20.007 7.328 637 H ASN 79 H ASN 79 6.396 -17.251 4.399 638 HA ASN 79 HA ASN 79 8.867 -16.182 5.572 639 1HB ASN 79 2HB ASN 79 8.824 -18.871 5.338 640 2HB ASN 79 1HB ASN 79 9.348 -18.449 3.708 641 1HD2 ASN 79 2HD2 ASN 79 11.784 -17.421 6.866 642 2HD2 ASN 79 1HD2 ASN 79 10.116 -17.588 7.132 643 H ASN 80 H ASN 80 6.865 -15.088 3.836 644 HA ASN 80 HA ASN 80 8.595 -14.236 1.629 645 1HB ASN 80 2HB ASN 80 6.896 -14.809 -0.120 646 2HB ASN 80 1HB ASN 80 7.628 -16.230 0.622 647 1HD2 ASN 80 2HD2 ASN 80 3.680 -15.391 1.365 648 2HD2 ASN 80 1HD2 ASN 80 4.686 -14.184 0.721 649 H ASP 81 H ASP 81 8.067 -12.160 0.997 650 HA ASP 81 HA ASP 81 5.459 -10.997 1.184 651 1HB ASP 81 2HB ASP 81 5.923 -9.444 3.111 652 2HB ASP 81 1HB ASP 81 5.746 -11.133 3.586 653 H SER 82 H SER 82 7.281 -10.945 -0.838 654 HA SER 82 HA SER 82 8.283 -8.126 -0.779 655 1HB SER 82 2HB SER 82 9.512 -10.490 -2.217 656 2HB SER 82 1HB SER 82 10.107 -8.833 -2.269 657 HG SER 82 HG SER 82 10.221 -10.733 -0.239 658 H ARG 83 H ARG 83 5.742 -9.604 -1.881 659 HA ARG 83 HA ARG 83 5.717 -8.094 -4.417 660 1HB ARG 83 2HB ARG 83 6.206 -10.865 -4.423 661 2HB ARG 83 1HB ARG 83 4.501 -10.712 -4.840 662 1HG ARG 83 2HG ARG 83 5.200 -8.942 -6.536 663 2HG ARG 83 1HG ARG 83 6.866 -9.440 -6.239 664 1HD ARG 83 2HD ARG 83 6.451 -10.919 -7.927 665 2HD ARG 83 1HD ARG 83 5.695 -11.862 -6.646 666 HE ARG 83 HE ARG 83 3.614 -10.315 -7.465 667 1HH1 ARG 83 2HH1 ARG 83 5.129 -13.072 -8.541 668 2HH1 ARG 83 1HH1 ARG 83 4.491 -13.027 -10.151 669 1HH2 ARG 83 1HH2 ARG 83 3.149 -9.847 -9.816 670 2HH2 ARG 83 2HH2 ARG 83 3.370 -11.201 -10.872 671 H TRP 84 H TRP 84 4.175 -6.776 -3.348 672 HA TRP 84 HA TRP 84 1.695 -8.034 -2.345 673 1HB TRP 84 2HB TRP 84 2.610 -5.141 -2.436 674 2HB TRP 84 1HB TRP 84 1.105 -5.692 -1.702 675 HD1 TRP 84 HD1 TRP 84 4.801 -6.872 -1.450 676 HE1 TRP 84 HE1 TRP 84 5.357 -7.231 1.034 677 HE3 TRP 84 HE3 TRP 84 0.335 -5.545 0.650 678 HZ2 TRP 84 HZ2 TRP 84 4.081 -6.981 3.584 679 HZ3 TRP 84 HZ3 TRP 84 0.037 -5.611 3.110 680 HH2 TRP 84 HH2 TRP 84 1.903 -6.327 4.578 681 H GLU 85 H GLU 85 -0.367 -7.599 -3.282 682 HA GLU 85 HA GLU 85 -0.274 -6.401 -6.022 683 1HB GLU 85 2HB GLU 85 -2.050 -8.073 -6.642 684 2HB GLU 85 1HB GLU 85 -0.484 -8.798 -6.284 685 1HG GLU 85 2HG GLU 85 -2.468 -8.469 -4.060 686 2HG GLU 85 1HG GLU 85 -2.680 -9.793 -5.206 687 H PHE 86 H PHE 86 -2.018 -5.108 -6.591 688 HA PHE 86 HA PHE 86 -4.143 -4.702 -4.528 689 1HB PHE 86 2HB PHE 86 -2.393 -2.667 -5.893 690 2HB PHE 86 1HB PHE 86 -4.006 -2.223 -5.334 691 HD1 PHE 86 HD2 PHE 86 -0.928 -3.998 -4.122 692 HD2 PHE 86 HD1 PHE 86 -4.273 -1.493 -3.150 693 HE1 PHE 86 HE2 PHE 86 -0.071 -3.760 -1.807 694 HE2 PHE 86 HE1 PHE 86 -3.422 -1.253 -0.832 695 HZ PHE 86 HZ PHE 86 -1.320 -2.385 -0.160 696 H GLU 87 H GLU 87 -6.202 -4.282 -5.380 697 HA GLU 87 HA GLU 87 -6.496 -3.891 -8.294 698 1HB GLU 87 2HB GLU 87 -6.432 -6.443 -7.516 699 2HB GLU 87 1HB GLU 87 -8.118 -6.106 -7.120 700 1HG GLU 87 2HG GLU 87 -8.723 -5.829 -9.316 701 2HG GLU 87 1HG GLU 87 -7.159 -5.149 -9.769 702 H ASN 88 H ASN 88 -8.574 -3.084 -8.865 703 HA ASN 88 HA ASN 88 -10.232 -2.216 -6.530 704 1HB ASN 88 2HB ASN 88 -9.068 -0.730 -8.700 705 2HB ASN 88 1HB ASN 88 -10.822 -0.649 -8.852 706 1HD2 ASN 88 2HD2 ASN 88 -9.529 2.020 -6.473 707 2HD2 ASN 88 1HD2 ASN 88 -9.051 1.575 -8.040 708 H GLU 89 H GLU 89 -12.568 -1.579 -7.564 709 HA GLU 89 HA GLU 89 -13.583 -4.128 -8.651 710 1HB GLU 89 2HB GLU 89 -14.883 -1.640 -7.534 711 2HB GLU 89 1HB GLU 89 -15.827 -2.885 -8.351 712 1HG GLU 89 2HG GLU 89 -15.948 -3.800 -6.261 713 2HG GLU 89 1HG GLU 89 -14.349 -4.425 -6.662 714 H ARG 90 H ARG 90 -14.376 -0.727 -9.437 715 HA ARG 90 HA ARG 90 -13.859 -1.268 -12.301 716 1HB ARG 90 2HB ARG 90 -16.118 -0.407 -12.934 717 2HB ARG 90 1HB ARG 90 -16.201 -1.923 -12.039 718 1HG ARG 90 2HG ARG 90 -16.495 -0.506 -9.932 719 2HG ARG 90 1HG ARG 90 -16.748 0.867 -11.010 720 1HD ARG 90 2HD ARG 90 -18.692 -0.112 -11.971 721 2HD ARG 90 1HD ARG 90 -18.327 -1.695 -11.284 722 HE ARG 90 HE ARG 90 -19.169 0.652 -9.629 723 1HH1 ARG 90 1HH2 ARG 90 -18.699 -0.712 -7.495 724 2HH1 ARG 90 2HH2 ARG 90 -19.762 -2.074 -7.383 725 1HH2 ARG 90 2HH1 ARG 90 -20.676 -1.971 -10.726 726 2HH2 ARG 90 1HH1 ARG 90 -20.881 -2.787 -9.214 727 H HIS 91 H HIS 91 -14.864 1.048 -13.390 728 HA HIS 91 HA HIS 91 -14.005 3.316 -11.700 729 1HB HIS 91 2HB HIS 91 -12.128 2.107 -13.303 730 2HB HIS 91 1HB HIS 91 -12.757 3.353 -14.380 731 HD1 HIS 91 HD1 HIS 91 -10.085 2.990 -12.196 732 HD2 HIS 91 HD2 HIS 91 -13.032 5.921 -12.511 733 HE1 HIS 91 HE1 HIS 91 -9.167 5.055 -11.052 734 H ALA 92 HN ALA 92 -16.080 4.211 -11.911 735 HA ALA 92 HA ALA 92 -16.616 5.738 -14.289 736 1HB ALA 92 2HB ALA 92 -17.424 3.088 -14.516 737 2HB ALA 92 1HB ALA 92 -18.899 3.919 -14.024 738 3HB ALA 92 3HB ALA 92 -18.037 4.436 -15.473 No H/Q in entry = 738
Contact the webmaster for help, if required. Friday, May 17, 2024 8:43:37 PM GMT (wattos1)