NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
9549 | 1o8r | 5603 | cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 3H VAL 1 -3.843 -13.081 0.366 2 H2 VAL 1 2H VAL 1 -3.318 -11.827 -0.652 3 H3 VAL 1 1H VAL 1 -2.729 -13.405 -0.870 4 HA VAL 1 HA VAL 1 -1.488 -13.331 1.146 5 HB VAL 1 HB VAL 1 -1.258 -10.687 -0.322 6 1HG1 VAL 1 1HG1 VAL 1 0.457 -12.278 1.494 7 2HG1 VAL 1 3HG1 VAL 1 1.264 -11.643 0.061 8 3HG1 VAL 1 2HG1 VAL 1 0.457 -10.543 1.178 9 1HG2 VAL 1 3HG2 VAL 1 -0.388 -13.479 -1.112 10 2HG2 VAL 1 2HG2 VAL 1 -1.475 -12.409 -1.996 11 3HG2 VAL 1 1HG2 VAL 1 0.240 -12.016 -1.871 12 H THR 2 HN THR 2 -2.329 -13.048 3.210 13 HA THR 2 HA THR 2 -3.133 -10.258 3.974 14 HB THR 2 HB THR 2 -4.972 -12.004 3.729 15 HG1 THR 2 1HG THR 2 -5.854 -11.450 5.808 16 1HG2 THR 2 1HG2 THR 2 -3.125 -13.496 5.294 17 2HG2 THR 2 3HG2 THR 2 -4.560 -13.231 6.284 18 3HG2 THR 2 2HG2 THR 2 -4.709 -14.007 4.707 19 H VAL 3 HN VAL 3 -2.829 -9.823 6.309 20 HA VAL 3 HA VAL 3 -0.259 -10.880 7.279 21 HB VAL 3 HB VAL 3 -2.246 -8.920 8.477 22 1HG1 VAL 3 2HG1 VAL 3 -0.162 -10.092 9.751 23 2HG1 VAL 3 1HG1 VAL 3 0.674 -8.740 8.987 24 3HG1 VAL 3 3HG1 VAL 3 -0.679 -8.438 10.077 25 1HG2 VAL 3 2HG2 VAL 3 0.029 -8.611 6.517 26 2HG2 VAL 3 1HG2 VAL 3 -1.623 -8.014 6.379 27 3HG2 VAL 3 3HG2 VAL 3 -0.506 -7.263 7.519 28 H GLN 4 HN GLN 4 -0.167 -12.683 8.568 29 HA GLN 4 HA GLN 4 -2.634 -13.456 10.085 30 1HB GLN 4 2HB GLN 4 -1.815 -14.962 8.282 31 2HB GLN 4 1HB GLN 4 -0.268 -15.097 9.119 32 1HG GLN 4 2HG GLN 4 -1.510 -15.973 11.121 33 2HG GLN 4 1HG GLN 4 -2.977 -15.991 10.144 34 1HE2 GLN 4 1HE2 GLN 4 -3.369 -18.011 9.243 35 2HE2 GLN 4 2HE2 GLN 4 -2.176 -19.129 8.788 36 H ASP 5 HN ASP 5 -2.481 -13.147 12.257 37 HA ASP 5 HA ASP 5 0.210 -12.931 13.526 38 1HB ASP 5 2HB ASP 5 -2.619 -12.245 14.385 39 2HB ASP 5 1HB ASP 5 -1.204 -12.017 15.414 40 H GLY 6 HN GLY 6 -1.663 -15.405 12.762 41 1HA GLY 6 1HA GLY 6 -2.322 -16.759 15.173 42 2HA GLY 6 2HA GLY 6 -0.672 -17.201 14.729 43 H ASN 7 HN ASN 7 -3.436 -18.627 14.626 44 HA ASN 7 HA ASN 7 -2.916 -19.971 12.045 45 1HB ASN 7 2HB ASN 7 -4.837 -20.463 14.344 46 2HB ASN 7 1HB ASN 7 -4.627 -21.550 12.970 47 1HD2 ASN 7 1HD2 ASN 7 -4.039 -22.528 15.539 48 2HD2 ASN 7 2HD2 ASN 7 -2.362 -22.719 15.708 49 H PHE 8 HN PHE 8 -4.369 -17.191 12.583 50 HA PHE 8 HA PHE 8 -6.717 -17.785 10.809 51 1HB PHE 8 2HB PHE 8 -6.364 -15.753 13.037 52 2HB PHE 8 1HB PHE 8 -7.803 -15.894 12.026 53 HD1 PHE 8 HD1 PHE 8 -9.260 -17.887 12.176 54 HD2 PHE 8 HD2 PHE 8 -5.860 -17.384 14.754 55 HE1 PHE 8 HE1 PHE 8 -10.124 -19.671 13.665 56 HE2 PHE 8 HE2 PHE 8 -6.725 -19.168 16.243 57 HZ PHE 8 HZ PHE 8 -8.857 -20.312 15.699 58 H SER 9 HN SER 9 -6.698 -16.654 8.894 59 HA SER 9 HA SER 9 -4.508 -14.784 8.330 60 1HB SER 9 2HB SER 9 -6.855 -15.941 6.810 61 2HB SER 9 1HB SER 9 -5.756 -14.771 6.080 62 HG SER 9 HG SER 9 -5.417 -17.354 6.272 63 H PHE 10 HN PHE 10 -4.672 -12.611 8.718 64 HA PHE 10 HA PHE 10 -7.415 -11.397 8.830 65 1HB PHE 10 2HB PHE 10 -4.846 -10.737 10.308 66 2HB PHE 10 1HB PHE 10 -6.354 -9.838 10.471 67 HD1 PHE 10 HD1 PHE 10 -8.180 -12.332 10.197 68 HD2 PHE 10 HD2 PHE 10 -4.730 -11.484 12.612 69 HE1 PHE 10 HE1 PHE 10 -8.966 -13.960 11.893 70 HE2 PHE 10 HE2 PHE 10 -5.517 -13.113 14.307 71 HZ PHE 10 HZ PHE 10 -7.634 -14.353 13.947 72 H SER 11 HN SER 11 -7.775 -9.811 7.325 73 HA SER 11 HA SER 11 -5.682 -8.993 5.470 74 1HB SER 11 2HB SER 11 -8.511 -7.996 5.958 75 2HB SER 11 1HB SER 11 -7.544 -7.659 4.522 76 HG SER 11 HG SER 11 -7.892 -9.606 3.810 77 H LEU 12 HN LEU 12 -5.429 -6.510 5.061 78 HA LEU 12 HA LEU 12 -4.923 -5.207 7.705 79 1HB LEU 12 2HB LEU 12 -3.799 -4.722 4.926 80 2HB LEU 12 1HB LEU 12 -3.272 -3.902 6.394 81 HG LEU 12 HG LEU 12 -3.167 -6.902 5.961 82 1HD1 LEU 12 3HD1 LEU 12 -1.500 -4.922 4.889 83 2HD1 LEU 12 2HD1 LEU 12 -0.629 -5.519 6.302 84 3HD1 LEU 12 1HD1 LEU 12 -1.126 -6.640 5.033 85 1HD2 LEU 12 3HD2 LEU 12 -3.171 -5.394 8.319 86 2HD2 LEU 12 2HD2 LEU 12 -2.628 -7.064 8.149 87 3HD2 LEU 12 1HD2 LEU 12 -1.467 -5.742 8.023 88 H GLU 13 HN GLU 13 -7.165 -5.118 5.201 89 HA GLU 13 HA GLU 13 -7.513 -2.290 4.801 90 1HB GLU 13 2HB GLU 13 -9.421 -4.646 4.635 91 2HB GLU 13 1HB GLU 13 -9.745 -3.048 3.966 92 1HG GLU 13 2HG GLU 13 -7.734 -3.247 2.536 93 2HG GLU 13 1HG GLU 13 -7.434 -4.857 3.195 94 H SER 14 HN SER 14 -9.865 -4.382 6.471 95 HA SER 14 HA SER 14 -11.222 -2.436 7.925 96 1HB SER 14 2HB SER 14 -10.459 -5.190 8.939 97 2HB SER 14 1HB SER 14 -11.928 -4.287 9.309 98 HG SER 14 HG SER 14 -12.744 -4.795 7.426 99 H VAL 15 HN VAL 15 -8.246 -4.162 8.934 100 HA VAL 15 HA VAL 15 -8.025 -2.991 11.527 101 HB VAL 15 HB VAL 15 -6.119 -4.172 9.506 102 1HG1 VAL 15 2HG1 VAL 15 -4.945 -2.415 10.888 103 2HG1 VAL 15 1HG1 VAL 15 -5.402 -3.324 12.328 104 3HG1 VAL 15 3HG1 VAL 15 -4.327 -4.049 11.133 105 1HG2 VAL 15 1HG2 VAL 15 -7.751 -5.070 11.766 106 2HG2 VAL 15 3HG2 VAL 15 -7.028 -6.014 10.463 107 3HG2 VAL 15 2HG2 VAL 15 -6.074 -5.601 11.887 108 H LYS 16 HN LYS 16 -6.511 -2.010 8.423 109 HA LYS 16 HA LYS 16 -5.169 0.305 9.346 110 1HB LYS 16 2HB LYS 16 -4.959 -0.743 7.106 111 2HB LYS 16 1HB LYS 16 -6.594 -0.213 6.712 112 1HG LYS 16 2HG LYS 16 -5.859 2.153 7.108 113 2HG LYS 16 1HG LYS 16 -4.213 1.561 7.326 114 1HD LYS 16 2HD LYS 16 -4.302 0.566 5.044 115 2HD LYS 16 1HD LYS 16 -5.911 1.256 4.831 116 1HE LYS 16 2HE LYS 16 -4.235 3.370 5.737 117 2HE LYS 16 1HE LYS 16 -3.366 2.537 4.434 118 1HZ LYS 16 2HZ LYS 16 -6.259 3.114 4.219 119 2HZ LYS 16 1HZ LYS 16 -5.113 4.291 3.789 120 3HZ LYS 16 3HZ LYS 16 -5.144 2.803 2.975 121 H LYS 17 HN LYS 17 -8.435 0.082 7.882 122 HA LYS 17 HA LYS 17 -9.112 2.827 8.646 123 1HB LYS 17 2HB LYS 17 -10.713 0.495 7.538 124 2HB LYS 17 1HB LYS 17 -11.291 2.158 7.631 125 1HG LYS 17 2HG LYS 17 -9.383 2.871 6.202 126 2HG LYS 17 1HG LYS 17 -8.883 1.186 6.061 127 1HD LYS 17 2HD LYS 17 -11.128 0.651 5.094 128 2HD LYS 17 1HD LYS 17 -11.516 2.372 5.131 129 1HE LYS 17 2HE LYS 17 -10.706 2.042 2.925 130 2HE LYS 17 1HE LYS 17 -9.277 2.643 3.786 131 1HZ LYS 17 3HZ LYS 17 -9.003 0.134 4.374 132 2HZ LYS 17 2HZ LYS 17 -9.952 -0.111 2.985 133 3HZ LYS 17 1HZ LYS 17 -8.466 0.705 2.869 134 H LEU 18 HN LEU 18 -8.690 0.225 10.542 135 HA LEU 18 HA LEU 18 -11.103 -0.159 11.998 136 1HB LEU 18 2HB LEU 18 -9.053 -1.552 12.072 137 2HB LEU 18 1HB LEU 18 -8.197 -0.236 12.875 138 HG LEU 18 HG LEU 18 -9.586 -0.397 14.818 139 1HD1 LEU 18 1HD1 LEU 18 -11.283 -2.225 13.100 140 2HD1 LEU 18 3HD1 LEU 18 -11.485 -2.082 14.847 141 3HD1 LEU 18 2HD1 LEU 18 -11.753 -0.680 13.809 142 1HD2 LEU 18 1HD2 LEU 18 -7.844 -2.277 14.269 143 2HD2 LEU 18 3HD2 LEU 18 -8.960 -2.512 15.616 144 3HD2 LEU 18 2HD2 LEU 18 -9.270 -3.295 14.065 145 H LYS 19 HN LYS 19 -8.404 2.135 12.555 146 HA LYS 19 HA LYS 19 -9.503 3.312 14.937 147 1HB LYS 19 2HB LYS 19 -7.589 4.351 12.823 148 2HB LYS 19 1HB LYS 19 -7.812 5.074 14.416 149 1HG LYS 19 2HG LYS 19 -7.142 2.924 15.464 150 2HG LYS 19 1HG LYS 19 -6.870 2.243 13.860 151 1HD LYS 19 2HD LYS 19 -5.179 4.003 13.415 152 2HD LYS 19 1HD LYS 19 -5.431 4.639 15.042 153 1HE LYS 19 2HE LYS 19 -4.947 2.072 15.689 154 2HE LYS 19 1HE LYS 19 -4.024 2.151 14.177 155 1HZ LYS 19 3HZ LYS 19 -3.736 4.513 15.773 156 2HZ LYS 19 2HZ LYS 19 -3.214 3.125 16.603 157 3HZ LYS 19 1HZ LYS 19 -2.539 3.522 15.096 158 H ASP 20 HN ASP 20 -9.888 4.033 11.489 159 HA ASP 20 HA ASP 20 -11.989 6.042 12.231 160 1HB ASP 20 2HB ASP 20 -9.830 7.018 11.409 161 2HB ASP 20 1HB ASP 20 -10.041 6.125 9.903 162 H LEU 21 HN LEU 21 -13.449 4.111 11.948 163 HA LEU 21 HA LEU 21 -13.838 3.390 9.064 164 1HB LEU 21 2HB LEU 21 -13.231 1.622 10.779 165 2HB LEU 21 1HB LEU 21 -14.783 1.941 11.552 166 HG LEU 21 HG LEU 21 -14.735 1.391 8.607 167 1HD1 LEU 21 1HD1 LEU 21 -14.533 -0.707 10.790 168 2HD1 LEU 21 3HD1 LEU 21 -14.940 -1.048 9.109 169 3HD1 LEU 21 2HD1 LEU 21 -13.349 -0.404 9.519 170 1HD2 LEU 21 3HD2 LEU 21 -16.719 1.961 10.372 171 2HD2 LEU 21 2HD2 LEU 21 -16.966 0.997 8.916 172 3HD2 LEU 21 1HD2 LEU 21 -16.713 0.200 10.469 173 H GLN 22 HN GLN 22 -15.656 4.222 8.138 174 HA GLN 22 HA GLN 22 -18.101 4.614 9.782 175 1HB GLN 22 2HB GLN 22 -16.608 6.754 8.233 176 2HB GLN 22 1HB GLN 22 -18.244 6.964 8.859 177 1HG GLN 22 2HG GLN 22 -17.423 6.516 11.146 178 2HG GLN 22 1HG GLN 22 -15.787 6.315 10.518 179 1HE2 GLN 22 1HE2 GLN 22 -16.317 8.346 12.428 180 2HE2 GLN 22 2HE2 GLN 22 -16.184 9.862 11.677 181 H GLU 23 HN GLU 23 -17.907 2.626 7.953 182 HA GLU 23 HA GLU 23 -19.940 3.269 5.998 183 1HB GLU 23 2HB GLU 23 -18.563 3.248 4.011 184 2HB GLU 23 1HB GLU 23 -17.839 4.404 5.129 185 1HG GLU 23 2HG GLU 23 -16.275 2.626 5.905 186 2HG GLU 23 1HG GLU 23 -16.965 1.530 4.708 187 HA PRO 24 HA PRO 24 -20.414 -1.094 5.946 188 1HB PRO 24 2HB PRO 24 -20.691 -1.316 3.092 189 2HB PRO 24 1HB PRO 24 -21.969 -1.283 4.310 190 1HG PRO 24 2HG PRO 24 -21.274 0.772 2.428 191 2HG PRO 24 1HG PRO 24 -22.547 0.808 3.650 192 1HD PRO 24 2HD PRO 24 -20.052 2.262 3.645 193 2HD PRO 24 1HD PRO 24 -21.338 2.304 4.873 194 H GLN 25 HN GLN 25 -19.409 -3.134 5.045 195 HA GLN 25 HA GLN 25 -16.640 -3.216 5.078 196 1HB GLN 25 2HB GLN 25 -18.601 -4.880 3.466 197 2HB GLN 25 1HB GLN 25 -16.941 -5.361 3.814 198 1HG GLN 25 2HG GLN 25 -17.417 -5.247 6.236 199 2HG GLN 25 1HG GLN 25 -19.078 -4.771 5.886 200 1HE2 GLN 25 1HE2 GLN 25 -18.614 -7.147 7.344 201 2HE2 GLN 25 2HE2 GLN 25 -19.011 -8.485 6.377 202 H GLU 26 HN GLU 26 -15.001 -2.739 3.631 203 HA GLU 26 HA GLU 26 -15.819 -1.813 0.896 204 1HB GLU 26 2HB GLU 26 -13.814 -0.315 1.133 205 2HB GLU 26 1HB GLU 26 -15.061 -0.007 2.342 206 1HG GLU 26 2HG GLU 26 -13.268 -2.065 3.286 207 2HG GLU 26 1HG GLU 26 -12.346 -0.639 2.810 208 HA PRO 27 HA PRO 27 -13.334 -5.393 -0.242 209 1HB PRO 27 2HB PRO 27 -13.621 -4.544 -2.976 210 2HB PRO 27 1HB PRO 27 -14.445 -5.873 -2.157 211 1HG PRO 27 2HG PRO 27 -15.549 -3.354 -2.987 212 2HG PRO 27 1HG PRO 27 -16.374 -4.682 -2.168 213 1HD PRO 27 2HD PRO 27 -15.628 -2.116 -1.074 214 2HD PRO 27 1HD PRO 27 -16.460 -3.455 -0.249 215 H ARG 28 HN ARG 28 -11.702 -5.199 -2.557 216 HA ARG 28 HA ARG 28 -9.355 -3.942 -1.603 217 1HB ARG 28 2HB ARG 28 -10.296 -4.614 -4.410 218 2HB ARG 28 1HB ARG 28 -8.627 -4.233 -3.992 219 1HG ARG 28 2HG ARG 28 -8.649 -6.126 -2.361 220 2HG ARG 28 1HG ARG 28 -10.274 -6.538 -2.908 221 1HD ARG 28 2HD ARG 28 -9.350 -6.775 -5.248 222 2HD ARG 28 1HD ARG 28 -7.726 -6.567 -4.563 223 HE ARG 28 HE ARG 28 -9.575 -8.705 -3.559 224 1HH1 ARG 28 1HH1 ARG 28 -7.350 -8.649 -5.918 225 2HH1 ARG 28 2HH1 ARG 28 -6.177 -9.671 -5.155 226 1HH2 ARG 28 1HH2 ARG 28 -7.715 -9.567 -2.049 227 2HH2 ARG 28 2HH2 ARG 28 -6.384 -10.191 -2.966 228 H VAL 29 HN VAL 29 -8.482 -1.873 -1.911 229 HA VAL 29 HA VAL 29 -10.267 0.129 -3.259 230 HB VAL 29 HB VAL 29 -8.318 0.470 -0.957 231 1HG1 VAL 29 3HG1 VAL 29 -10.066 2.298 -2.535 232 2HG1 VAL 29 2HG1 VAL 29 -9.991 2.568 -0.794 233 3HG1 VAL 29 1HG1 VAL 29 -8.516 2.620 -1.759 234 1HG2 VAL 29 2HG2 VAL 29 -11.181 -0.303 -1.108 235 2HG2 VAL 29 1HG2 VAL 29 -9.984 -0.658 0.137 236 3HG2 VAL 29 3HG2 VAL 29 -10.773 0.919 0.097 237 H GLY 30 HN GLY 30 -9.313 1.414 -4.830 238 1HA GLY 30 1HA GLY 30 -7.664 2.253 -6.274 239 2HA GLY 30 2HA GLY 30 -6.881 0.687 -6.064 240 H LYS 31 HN LYS 31 -7.489 2.774 -3.321 241 HA LYS 31 HA LYS 31 -4.909 4.103 -3.324 242 1HB LYS 31 2HB LYS 31 -7.006 3.582 -1.190 243 2HB LYS 31 1HB LYS 31 -5.650 4.694 -0.999 244 1HG LYS 31 2HG LYS 31 -6.448 5.946 -3.009 245 2HG LYS 31 1HG LYS 31 -7.849 4.878 -3.081 246 1HD LYS 31 2HD LYS 31 -8.449 5.579 -0.758 247 2HD LYS 31 1HD LYS 31 -7.108 6.725 -0.792 248 1HE LYS 31 2HE LYS 31 -8.119 7.962 -2.614 249 2HE LYS 31 1HE LYS 31 -9.373 6.724 -2.819 250 1HZ LYS 31 3HZ LYS 31 -8.906 8.129 -0.246 251 2HZ LYS 31 2HZ LYS 31 -10.005 8.706 -1.407 252 3HZ LYS 31 1HZ LYS 31 -10.245 7.185 -0.689 253 H LEU 32 HN LEU 32 -3.158 3.664 -1.798 254 HA LEU 32 HA LEU 32 -2.761 0.769 -1.332 255 1HB LEU 32 2HB LEU 32 -1.054 2.259 -2.385 256 2HB LEU 32 1HB LEU 32 -0.963 3.173 -0.878 257 HG LEU 32 HG LEU 32 -0.422 0.945 0.265 258 1HD1 LEU 32 3HD1 LEU 32 -0.559 0.154 -2.595 259 2HD1 LEU 32 2HD1 LEU 32 0.791 -0.507 -1.672 260 3HD1 LEU 32 1HD1 LEU 32 -0.866 -0.804 -1.146 261 1HD2 LEU 32 1HD2 LEU 32 1.200 2.836 -0.584 262 2HD2 LEU 32 3HD2 LEU 32 1.865 1.292 -0.051 263 3HD2 LEU 32 2HD2 LEU 32 1.678 1.624 -1.774 264 H ARG 33 HN ARG 33 -2.834 -0.163 0.696 265 HA ARG 33 HA ARG 33 -3.942 1.297 2.933 266 1HB ARG 33 2HB ARG 33 -3.608 -0.877 4.073 267 2HB ARG 33 1HB ARG 33 -4.298 -1.109 2.467 268 1HG ARG 33 2HG ARG 33 -1.927 -1.451 1.619 269 2HG ARG 33 1HG ARG 33 -1.412 -1.491 3.305 270 1HD ARG 33 2HD ARG 33 -3.113 -3.348 3.674 271 2HD ARG 33 1HD ARG 33 -3.315 -3.402 1.913 272 HE ARG 33 HE ARG 33 -0.645 -3.755 3.239 273 1HH1 ARG 33 1HH1 ARG 33 -2.373 -6.165 2.501 274 2HH1 ARG 33 2HH1 ARG 33 -1.690 -6.605 0.971 275 1HH2 ARG 33 1HH2 ARG 33 -0.030 -3.591 0.546 276 2HH2 ARG 33 2HH2 ARG 33 -0.363 -5.147 -0.136 277 H ASN 34 HN ASN 34 -1.931 2.933 2.553 278 HA ASN 34 HA ASN 34 0.119 2.178 4.606 279 1HB ASN 34 2HB ASN 34 1.839 3.009 3.177 280 2HB ASN 34 1HB ASN 34 0.810 2.033 2.130 281 1HD2 ASN 34 1HD2 ASN 34 2.405 4.108 1.017 282 2HD2 ASN 34 2HD2 ASN 34 1.387 5.355 0.476 283 H PHE 35 HN PHE 35 -2.410 4.107 4.123 284 HA PHE 35 HA PHE 35 -1.119 6.647 5.010 285 1HB PHE 35 2HB PHE 35 -3.930 5.950 4.100 286 2HB PHE 35 1HB PHE 35 -3.354 7.579 4.451 287 HD1 PHE 35 HD1 PHE 35 -1.427 8.521 3.094 288 HD2 PHE 35 HD2 PHE 35 -3.490 4.914 2.008 289 HE1 PHE 35 HE1 PHE 35 -0.523 8.699 0.791 290 HE2 PHE 35 HE2 PHE 35 -2.587 5.091 -0.295 291 HZ PHE 35 HZ PHE 35 -1.104 6.984 -0.903 292 H ALA 36 HN ALA 36 -2.123 3.947 6.510 293 HA ALA 36 HA ALA 36 -4.053 4.751 8.444 294 1HB ALA 36 1HB ALA 36 -3.744 2.550 8.841 295 2HB ALA 36 3HB ALA 36 -2.278 2.565 7.860 296 3HB ALA 36 2HB ALA 36 -2.189 2.924 9.584 297 HA PRO 37 HA PRO 37 -1.839 7.598 10.986 298 1HB PRO 37 2HB PRO 37 -3.198 6.679 13.349 299 2HB PRO 37 1HB PRO 37 -3.551 8.112 12.381 300 1HG PRO 37 2HG PRO 37 -5.090 5.703 12.570 301 2HG PRO 37 1HG PRO 37 -5.419 7.119 11.568 302 1HD PRO 37 2HD PRO 37 -4.491 4.504 10.725 303 2HD PRO 37 1HD PRO 37 -4.893 5.908 9.709 304 H ILE 38 HN ILE 38 -1.424 6.976 13.823 305 HA ILE 38 HA ILE 38 0.746 4.934 13.532 306 HB ILE 38 HB ILE 38 0.412 7.009 15.708 307 1HG1 ILE 38 2HG1 ILE 38 2.280 7.935 13.806 308 2HG1 ILE 38 1HG1 ILE 38 0.858 7.449 12.883 309 1HG2 ILE 38 1HG2 ILE 38 2.694 5.395 14.560 310 2HG2 ILE 38 3HG2 ILE 38 2.977 6.831 15.542 311 3HG2 ILE 38 2HG2 ILE 38 2.125 5.448 16.229 312 1HD1 ILE 38 3HD1 ILE 38 -0.311 8.743 14.982 313 2HD1 ILE 38 2HD1 ILE 38 1.187 9.659 14.823 314 3HD1 ILE 38 1HD1 ILE 38 0.089 9.521 13.450 315 HA PRO 39 HA PRO 39 -1.631 2.229 16.118 316 1HB PRO 39 2HB PRO 39 0.785 0.985 17.063 317 2HB PRO 39 1HB PRO 39 -0.341 0.389 15.842 318 1HG PRO 39 2HG PRO 39 2.306 1.431 15.442 319 2HG PRO 39 1HG PRO 39 1.180 0.835 14.221 320 1HD PRO 39 2HD PRO 39 1.967 3.567 14.718 321 2HD PRO 39 1HD PRO 39 0.829 2.966 13.490 322 H GLY 40 HN GLY 40 -2.176 2.159 18.336 323 1HA GLY 40 1HA GLY 40 -0.775 4.121 20.050 324 2HA GLY 40 2HA GLY 40 -0.853 2.464 20.643 325 H GLU 41 HN GLU 41 -3.481 1.887 19.600 326 HA GLU 41 HA GLU 41 -5.102 3.505 21.525 327 1HB GLU 41 2HB GLU 41 -5.123 3.768 18.746 328 2HB GLU 41 1HB GLU 41 -6.521 2.746 19.083 329 1HG GLU 41 2HG GLU 41 -7.290 4.396 20.777 330 2HG GLU 41 1HG GLU 41 -5.921 5.430 20.367 331 HA PRO 42 HA PRO 42 -5.579 -1.191 21.746 332 1HB PRO 42 2HB PRO 42 -5.269 -0.888 24.590 333 2HB PRO 42 1HB PRO 42 -4.189 -1.705 23.459 334 1HG PRO 42 2HG PRO 42 -3.763 0.793 24.810 335 2HG PRO 42 1HG PRO 42 -2.688 -0.020 23.671 336 1HD PRO 42 2HD PRO 42 -4.253 2.373 23.240 337 2HD PRO 42 1HD PRO 42 -3.155 1.565 22.098 338 H VAL 43 HN VAL 43 -7.824 -1.124 21.349 339 HA VAL 43 HA VAL 43 -9.545 -0.430 23.703 340 HB VAL 43 HB VAL 43 -9.484 1.380 21.986 341 1HG1 VAL 43 2HG1 VAL 43 -9.035 -0.176 20.064 342 2HG1 VAL 43 1HG1 VAL 43 -10.712 -0.710 20.164 343 3HG1 VAL 43 3HG1 VAL 43 -10.343 0.964 19.752 344 1HG2 VAL 43 1HG2 VAL 43 -11.881 -0.126 22.799 345 2HG2 VAL 43 3HG2 VAL 43 -11.552 1.603 22.901 346 3HG2 VAL 43 2HG2 VAL 43 -12.127 0.901 21.388 347 H VAL 44 HN VAL 44 -10.882 -2.133 24.201 348 HA VAL 44 HA VAL 44 -11.946 -3.865 22.052 349 HB VAL 44 HB VAL 44 -9.961 -4.700 24.174 350 1HG1 VAL 44 2HG1 VAL 44 -12.040 -6.334 22.729 351 2HG1 VAL 44 1HG1 VAL 44 -10.501 -7.060 23.198 352 3HG1 VAL 44 3HG1 VAL 44 -11.573 -6.392 24.429 353 1HG2 VAL 44 1HG2 VAL 44 -10.087 -4.565 21.205 354 2HG2 VAL 44 3HG2 VAL 44 -8.711 -4.334 22.284 355 3HG2 VAL 44 2HG2 VAL 44 -9.261 -5.963 21.893 356 HA PRO 45 HA PRO 45 -14.881 -3.045 25.542 357 1HB PRO 45 2HB PRO 45 -16.937 -3.334 23.548 358 2HB PRO 45 1HB PRO 45 -16.437 -1.864 24.386 359 1HG PRO 45 2HG PRO 45 -15.977 -2.575 21.641 360 2HG PRO 45 1HG PRO 45 -15.473 -1.105 22.480 361 1HD PRO 45 2HD PRO 45 -13.816 -3.303 21.603 362 2HD PRO 45 1HD PRO 45 -13.308 -1.819 22.442 363 H ILE 46 HN ILE 46 -17.413 -4.473 24.918 364 HA ILE 46 HA ILE 46 -16.902 -7.036 25.984 365 HB ILE 46 HB ILE 46 -19.074 -6.085 24.081 366 1HG1 ILE 46 2HG1 ILE 46 -18.991 -6.201 27.112 367 2HG1 ILE 46 1HG1 ILE 46 -18.814 -4.732 26.152 368 1HG2 ILE 46 3HG2 ILE 46 -18.796 -8.526 25.836 369 2HG2 ILE 46 2HG2 ILE 46 -20.381 -7.906 25.373 370 3HG2 ILE 46 1HG2 ILE 46 -19.249 -8.447 24.133 371 1HD1 ILE 46 2HD1 ILE 46 -21.194 -6.438 25.591 372 2HD1 ILE 46 1HD1 ILE 46 -21.194 -5.535 27.106 373 3HD1 ILE 46 3HD1 ILE 46 -21.041 -4.682 25.570 374 H LEU 47 HN LEU 47 -17.412 -6.134 22.565 375 HA LEU 47 HA LEU 47 -16.053 -8.679 21.754 376 1HB LEU 47 2HB LEU 47 -17.964 -6.836 20.273 377 2HB LEU 47 1HB LEU 47 -17.328 -8.361 19.654 378 HG LEU 47 HG LEU 47 -19.125 -7.979 22.066 379 1HD1 LEU 47 3HD1 LEU 47 -19.539 -8.622 19.261 380 2HD1 LEU 47 2HD1 LEU 47 -20.130 -9.916 20.303 381 3HD1 LEU 47 1HD1 LEU 47 -20.733 -8.271 20.511 382 1HD2 LEU 47 2HD2 LEU 47 -17.532 -10.346 21.085 383 2HD2 LEU 47 1HD2 LEU 47 -17.663 -9.711 22.726 384 3HD2 LEU 47 3HD2 LEU 47 -19.021 -10.573 22.003 385 H CYS 48 HN CYS 48 -16.608 -5.585 20.074 386 HA CYS 48 HA CYS 48 -13.684 -5.054 20.010 387 1HB CYS 48 2HB CYS 48 -15.460 -5.904 17.758 388 2HB CYS 48 1HB CYS 48 -14.221 -4.698 17.408 389 H SER 49 HN SER 49 -13.235 -2.824 19.615 390 HA SER 49 HA SER 49 -15.176 -0.915 20.429 391 1HB SER 49 2HB SER 49 -12.669 -0.731 20.457 392 2HB SER 49 1HB SER 49 -12.715 -0.501 18.710 393 HG SER 49 HG SER 49 -14.203 1.277 19.187 394 H ASN 50 HN ASN 50 -13.934 -1.587 17.146 395 HA ASN 50 HA ASN 50 -15.884 0.192 15.893 396 1HB ASN 50 2HB ASN 50 -13.677 -1.668 15.092 397 2HB ASN 50 1HB ASN 50 -14.828 -1.159 13.856 398 1HD2 ASN 50 1HD2 ASN 50 -15.097 1.271 13.596 399 2HD2 ASN 50 2HD2 ASN 50 -13.775 2.275 13.947 400 HA PRO 51 HA PRO 51 -19.098 -2.953 16.051 401 1HB PRO 51 2HB PRO 51 -20.630 -1.273 14.286 402 2HB PRO 51 1HB PRO 51 -20.853 -1.518 16.019 403 1HG PRO 51 2HG PRO 51 -19.827 0.810 14.677 404 2HG PRO 51 1HG PRO 51 -20.070 0.572 16.410 405 1HD PRO 51 2HD PRO 51 -17.570 0.686 14.982 406 2HD PRO 51 1HD PRO 51 -17.817 0.405 16.721 407 H ASN 52 HN ASN 52 -17.285 -1.759 13.413 408 HA ASN 52 HA ASN 52 -18.157 -4.073 11.734 409 1HB ASN 52 2HB ASN 52 -17.827 -1.166 10.926 410 2HB ASN 52 1HB ASN 52 -18.060 -2.486 9.780 411 1HD2 ASN 52 1HD2 ASN 52 -19.924 -0.218 10.295 412 2HD2 ASN 52 2HD2 ASN 52 -21.381 -0.917 10.813 413 H PHE 53 HN PHE 53 -15.853 -3.912 13.397 414 HA PHE 53 HA PHE 53 -13.530 -3.095 11.812 415 1HB PHE 53 2HB PHE 53 -12.420 -3.497 13.813 416 2HB PHE 53 1HB PHE 53 -14.058 -3.323 14.436 417 HD1 PHE 53 HD1 PHE 53 -15.490 -5.636 14.133 418 HD2 PHE 53 HD2 PHE 53 -11.234 -5.334 14.635 419 HE1 PHE 53 HE1 PHE 53 -15.424 -7.964 14.980 420 HE2 PHE 53 HE2 PHE 53 -11.168 -7.668 15.482 421 HZ PHE 53 HZ PHE 53 -13.265 -8.977 15.651 422 HA PRO 54 HA PRO 54 -12.383 -6.873 9.844 423 1HB PRO 54 2HB PRO 54 -10.219 -7.684 11.568 424 2HB PRO 54 1HB PRO 54 -10.113 -6.920 9.984 425 1HG PRO 54 2HG PRO 54 -9.564 -5.761 12.558 426 2HG PRO 54 1HG PRO 54 -9.447 -4.989 10.975 427 1HD PRO 54 2HD PRO 54 -11.399 -4.503 13.020 428 2HD PRO 54 1HD PRO 54 -11.328 -3.772 11.402 429 H GLU 55 HN GLU 55 -14.501 -7.581 10.986 430 HA GLU 55 HA GLU 55 -14.849 -8.993 13.309 431 1HB GLU 55 2HB GLU 55 -16.613 -10.157 12.131 432 2HB GLU 55 1HB GLU 55 -16.472 -8.543 11.428 433 1HG GLU 55 2HG GLU 55 -15.013 -9.503 9.638 434 2HG GLU 55 1HG GLU 55 -15.288 -11.109 10.313 435 H GLU 56 HN GLU 56 -13.196 -10.206 10.403 436 HA GLU 56 HA GLU 56 -12.877 -12.922 11.107 437 1HB GLU 56 2HB GLU 56 -10.979 -10.978 9.745 438 2HB GLU 56 1HB GLU 56 -10.849 -12.735 9.656 439 1HG GLU 56 2HG GLU 56 -13.131 -12.824 8.665 440 2HG GLU 56 1HG GLU 56 -13.193 -11.062 8.698 441 H LEU 57 HN LEU 57 -11.596 -10.088 12.585 442 HA LEU 57 HA LEU 57 -9.433 -11.557 14.002 443 1HB LEU 57 2HB LEU 57 -10.280 -8.675 13.647 444 2HB LEU 57 1HB LEU 57 -9.045 -9.133 14.820 445 HG LEU 57 HG LEU 57 -7.832 -10.306 12.954 446 1HD1 LEU 57 1HD1 LEU 57 -10.245 -9.465 11.539 447 2HD1 LEU 57 3HD1 LEU 57 -8.770 -8.985 10.704 448 3HD1 LEU 57 2HD1 LEU 57 -9.051 -10.681 11.092 449 1HD2 LEU 57 1HD2 LEU 57 -7.335 -7.949 13.752 450 2HD2 LEU 57 3HD2 LEU 57 -6.832 -8.289 12.096 451 3HD2 LEU 57 2HD2 LEU 57 -8.304 -7.368 12.397 452 H LYS 58 HN LYS 58 -12.624 -11.340 14.370 453 HA LYS 58 HA LYS 58 -13.430 -10.309 16.775 454 1HB LYS 58 2HB LYS 58 -14.201 -12.372 14.994 455 2HB LYS 58 1HB LYS 58 -14.282 -13.058 16.618 456 1HG LYS 58 2HG LYS 58 -15.987 -11.675 17.258 457 2HG LYS 58 1HG LYS 58 -15.358 -10.311 16.334 458 1HD LYS 58 2HD LYS 58 -16.052 -11.774 14.256 459 2HD LYS 58 1HD LYS 58 -17.113 -12.569 15.420 460 1HE LYS 58 2HE LYS 58 -17.651 -9.988 16.036 461 2HE LYS 58 1HE LYS 58 -17.252 -9.807 14.317 462 1HZ LYS 58 1HZ LYS 58 -18.681 -11.978 14.142 463 2HZ LYS 58 3HZ LYS 58 -19.370 -11.408 15.583 464 3HZ LYS 58 2HZ LYS 58 -19.437 -10.456 14.177 465 HA PRO 59 HA PRO 59 -11.637 -14.202 19.133 466 1HB PRO 59 2HB PRO 59 -9.292 -14.929 17.623 467 2HB PRO 59 1HB PRO 59 -10.702 -15.925 17.996 468 1HG PRO 59 2HG PRO 59 -9.979 -14.691 15.473 469 2HG PRO 59 1HG PRO 59 -11.308 -15.803 15.811 470 1HD PRO 59 2HD PRO 59 -11.521 -13.034 15.222 471 2HD PRO 59 1HD PRO 59 -12.827 -14.092 15.797 472 H LEU 60 HN LEU 60 -9.397 -12.178 17.182 473 HA LEU 60 HA LEU 60 -7.384 -11.814 19.139 474 1HB LEU 60 2HB LEU 60 -8.479 -9.944 17.011 475 2HB LEU 60 1HB LEU 60 -6.920 -9.750 17.811 476 HG LEU 60 HG LEU 60 -7.805 -11.958 15.945 477 1HD1 LEU 60 3HD1 LEU 60 -5.783 -9.759 15.967 478 2HD1 LEU 60 2HD1 LEU 60 -5.338 -11.266 15.164 479 3HD1 LEU 60 1HD1 LEU 60 -6.762 -10.371 14.633 480 1HD2 LEU 60 2HD2 LEU 60 -5.418 -11.919 17.818 481 2HD2 LEU 60 1HD2 LEU 60 -6.769 -13.051 17.871 482 3HD2 LEU 60 3HD2 LEU 60 -5.648 -13.080 16.510 483 H CYS 61 HN CYS 61 -10.429 -10.009 18.603 484 HA CYS 61 HA CYS 61 -9.945 -8.048 20.664 485 1HB CYS 61 2HB CYS 61 -12.599 -9.059 19.612 486 2HB CYS 61 1HB CYS 61 -12.225 -7.447 20.217 487 H LYS 62 HN LYS 62 -11.273 -11.310 20.660 488 HA LYS 62 HA LYS 62 -12.326 -11.055 23.408 489 1HB LYS 62 2HB LYS 62 -13.432 -12.361 21.582 490 2HB LYS 62 1HB LYS 62 -12.041 -13.446 21.558 491 1HG LYS 62 2HG LYS 62 -12.444 -14.033 23.913 492 2HG LYS 62 1HG LYS 62 -13.813 -12.923 23.967 493 1HD LYS 62 2HD LYS 62 -14.674 -15.159 23.601 494 2HD LYS 62 1HD LYS 62 -14.866 -14.248 22.104 495 1HE LYS 62 2HE LYS 62 -12.379 -15.285 21.710 496 2HE LYS 62 1HE LYS 62 -13.114 -16.573 22.680 497 1HZ LYS 62 3HZ LYS 62 -14.516 -15.279 20.407 498 2HZ LYS 62 2HZ LYS 62 -13.556 -16.666 20.205 499 3HZ LYS 62 1HZ LYS 62 -14.931 -16.717 21.202 500 H GLU 63 HN GLU 63 -9.291 -11.258 22.261 501 HA GLU 63 HA GLU 63 -8.393 -13.217 24.343 502 1HB GLU 63 2HB GLU 63 -6.744 -13.855 22.867 503 2HB GLU 63 1HB GLU 63 -7.914 -13.254 21.697 504 1HG GLU 63 2HG GLU 63 -6.784 -11.113 21.579 505 2HG GLU 63 1HG GLU 63 -5.701 -11.565 22.891 506 HA PRO 64 HA PRO 64 -6.797 -9.918 26.763 507 1HB PRO 64 2HB PRO 64 -4.518 -11.478 27.570 508 2HB PRO 64 1HB PRO 64 -6.001 -11.163 28.475 509 1HG PRO 64 2HG PRO 64 -5.175 -13.618 27.222 510 2HG PRO 64 1HG PRO 64 -6.647 -13.311 28.148 511 1HD PRO 64 2HD PRO 64 -6.405 -13.714 25.306 512 2HD PRO 64 1HD PRO 64 -7.883 -13.361 26.231 513 H ASN 65 HN ASN 65 -4.821 -11.547 24.366 514 HA ASN 65 HA ASN 65 -2.642 -9.583 24.489 515 1HB ASN 65 2HB ASN 65 -3.351 -11.769 22.509 516 2HB ASN 65 1HB ASN 65 -1.805 -10.927 22.587 517 1HD2 ASN 65 1HD2 ASN 65 -2.676 -13.863 23.195 518 2HD2 ASN 65 2HD2 ASN 65 -1.984 -14.169 24.714 519 H ALA 66 HN ALA 66 -5.761 -9.524 23.178 520 HA ALA 66 HA ALA 66 -5.517 -8.422 20.610 521 1HB ALA 66 2HB ALA 66 -7.511 -8.898 22.385 522 2HB ALA 66 3HB ALA 66 -7.735 -7.924 20.933 523 3HB ALA 66 1HB ALA 66 -7.434 -7.138 22.483 524 H GLN 67 HN GLN 67 -5.154 -6.798 23.761 525 HA GLN 67 HA GLN 67 -4.965 -4.115 22.916 526 1HB GLN 67 2HB GLN 67 -4.974 -5.108 25.256 527 2HB GLN 67 1HB GLN 67 -3.265 -5.477 25.025 528 1HG GLN 67 2HG GLN 67 -2.897 -3.032 24.502 529 2HG GLN 67 1HG GLN 67 -4.567 -2.741 24.991 530 1HE2 GLN 67 1HE2 GLN 67 -1.397 -2.839 26.169 531 2HE2 GLN 67 2HE2 GLN 67 -1.746 -3.006 27.822 532 H GLU 68 HN GLU 68 -2.399 -6.603 23.075 533 HA GLU 68 HA GLU 68 -0.368 -4.802 21.981 534 1HB GLU 68 2HB GLU 68 -0.493 -7.800 22.453 535 2HB GLU 68 1HB GLU 68 0.972 -6.913 22.034 536 1HG GLU 68 2HG GLU 68 0.691 -5.525 24.075 537 2HG GLU 68 1HG GLU 68 -0.738 -6.467 24.500 538 H ILE 69 HN ILE 69 -2.478 -7.380 20.754 539 HA ILE 69 HA ILE 69 -1.262 -7.613 18.151 540 HB ILE 69 HB ILE 69 -4.063 -8.153 19.191 541 1HG1 ILE 69 2HG1 ILE 69 -1.736 -10.036 18.706 542 2HG1 ILE 69 1HG1 ILE 69 -2.166 -9.382 20.287 543 1HG2 ILE 69 2HG2 ILE 69 -2.891 -8.332 16.517 544 2HG2 ILE 69 1HG2 ILE 69 -3.524 -9.881 17.077 545 3HG2 ILE 69 3HG2 ILE 69 -4.579 -8.469 17.011 546 1HD1 ILE 69 3HD1 ILE 69 -4.413 -10.594 18.796 547 2HD1 ILE 69 2HD1 ILE 69 -3.151 -11.728 19.279 548 3HD1 ILE 69 1HD1 ILE 69 -3.974 -10.752 20.496 549 H LEU 70 HN LEU 70 -4.223 -5.898 19.225 550 HA LEU 70 HA LEU 70 -5.051 -4.677 16.889 551 1HB LEU 70 2HB LEU 70 -6.152 -4.418 19.049 552 2HB LEU 70 1HB LEU 70 -4.774 -3.520 19.683 553 HG LEU 70 HG LEU 70 -6.925 -2.262 18.734 554 1HD1 LEU 70 1HD1 LEU 70 -4.663 -1.372 19.611 555 2HD1 LEU 70 3HD1 LEU 70 -4.203 -1.250 17.913 556 3HD1 LEU 70 2HD1 LEU 70 -5.578 -0.329 18.523 557 1HD2 LEU 70 2HD2 LEU 70 -6.534 -3.485 16.489 558 2HD2 LEU 70 1HD2 LEU 70 -6.834 -1.748 16.424 559 3HD2 LEU 70 3HD2 LEU 70 -5.190 -2.366 16.266 560 H GLN 71 HN GLN 71 -2.677 -3.165 19.137 561 HA GLN 71 HA GLN 71 -1.917 -0.991 17.527 562 1HB GLN 71 2HB GLN 71 -0.283 -2.752 19.385 563 2HB GLN 71 1HB GLN 71 0.214 -1.151 18.837 564 1HG GLN 71 2HG GLN 71 -1.910 -0.230 19.812 565 2HG GLN 71 1HG GLN 71 -2.242 -1.827 20.481 566 1HE2 GLN 71 1HE2 GLN 71 1.038 -1.710 20.603 567 2HE2 GLN 71 2HE2 GLN 71 1.259 -1.019 22.136 568 H ARG 72 HN ARG 72 -0.287 -4.184 17.693 569 HA ARG 72 HA ARG 72 1.622 -3.849 15.677 570 1HB ARG 72 2HB ARG 72 1.236 -5.810 17.222 571 2HB ARG 72 1HB ARG 72 -0.086 -6.310 16.167 572 1HG ARG 72 2HG ARG 72 1.497 -6.444 14.265 573 2HG ARG 72 1HG ARG 72 2.814 -5.976 15.339 574 1HD ARG 72 2HD ARG 72 1.082 -8.455 15.679 575 2HD ARG 72 1HD ARG 72 2.750 -8.438 15.072 576 HE ARG 72 HE ARG 72 2.088 -8.372 17.818 577 1HH1 ARG 72 1HH1 ARG 72 4.764 -8.048 16.044 578 2HH1 ARG 72 2HH1 ARG 72 5.509 -6.782 16.962 579 1HH2 ARG 72 1HH2 ARG 72 2.653 -6.069 18.796 580 2HH2 ARG 72 2HH2 ARG 72 4.314 -5.661 18.520 581 H LEU 73 HN LEU 73 -1.659 -5.225 15.218 582 HA LEU 73 HA LEU 73 -1.700 -5.482 12.441 583 1HB LEU 73 2HB LEU 73 -3.852 -4.491 14.340 584 2HB LEU 73 1HB LEU 73 -4.159 -5.118 12.720 585 HG LEU 73 HG LEU 73 -2.918 -6.626 15.041 586 1HD1 LEU 73 1HD1 LEU 73 -5.593 -6.577 13.696 587 2HD1 LEU 73 3HD1 LEU 73 -4.993 -8.117 14.311 588 3HD1 LEU 73 2HD1 LEU 73 -5.205 -6.752 15.408 589 1HD2 LEU 73 1HD2 LEU 73 -2.852 -7.056 12.127 590 2HD2 LEU 73 3HD2 LEU 73 -1.842 -7.758 13.391 591 3HD2 LEU 73 2HD2 LEU 73 -3.426 -8.450 13.044 592 H GLU 74 HN GLU 74 -2.492 -2.554 14.340 593 HA GLU 74 HA GLU 74 -3.155 -0.818 12.218 594 1HB GLU 74 2HB GLU 74 -1.707 -0.331 14.841 595 2HB GLU 74 1HB GLU 74 -2.428 0.941 13.855 596 1HG GLU 74 2HG GLU 74 -3.907 -1.408 15.080 597 2HG GLU 74 1HG GLU 74 -3.978 0.263 15.639 598 H GLU 75 HN GLU 75 0.076 -1.484 13.644 599 HA GLU 75 HA GLU 75 1.559 0.329 12.023 600 1HB GLU 75 2HB GLU 75 2.280 -0.864 14.108 601 2HB GLU 75 1HB GLU 75 2.375 -2.358 13.176 602 1HG GLU 75 2HG GLU 75 4.016 -1.261 11.651 603 2HG GLU 75 1HG GLU 75 3.966 0.176 12.673 604 H ILE 76 HN ILE 76 1.122 -3.217 11.602 605 HA ILE 76 HA ILE 76 2.418 -3.392 9.070 606 HB ILE 76 HB ILE 76 0.166 -4.999 10.322 607 1HG1 ILE 76 2HG1 ILE 76 3.185 -5.198 10.376 608 2HG1 ILE 76 1HG1 ILE 76 2.088 -5.038 11.747 609 1HG2 ILE 76 3HG2 ILE 76 0.406 -5.331 7.847 610 2HG2 ILE 76 2HG2 ILE 76 2.090 -5.786 8.112 611 3HG2 ILE 76 1HG2 ILE 76 0.793 -6.777 8.780 612 1HD1 ILE 76 2HD1 ILE 76 1.069 -7.281 10.850 613 2HD1 ILE 76 1HD1 ILE 76 2.613 -7.438 10.013 614 3HD1 ILE 76 3HD1 ILE 76 2.571 -7.330 11.773 615 H ALA 77 HN ALA 77 -0.870 -2.490 9.972 616 HA ALA 77 HA ALA 77 -2.080 -2.643 7.373 617 1HB ALA 77 1HB ALA 77 -3.433 -2.460 9.343 618 2HB ALA 77 3HB ALA 77 -2.572 -1.018 9.882 619 3HB ALA 77 2HB ALA 77 -3.644 -0.934 8.483 620 H GLU 78 HN GLU 78 -0.109 -0.211 8.991 621 HA GLU 78 HA GLU 78 -0.470 1.740 6.785 622 1HB GLU 78 2HB GLU 78 -0.455 2.317 9.245 623 2HB GLU 78 1HB GLU 78 1.240 1.829 9.290 624 1HG GLU 78 2HG GLU 78 1.696 3.506 7.469 625 2HG GLU 78 1HG GLU 78 0.033 4.066 7.637 626 H ASP 79 HN ASP 79 1.139 -0.991 6.856 627 HA ASP 79 HA ASP 79 3.165 -0.237 4.966 628 1HB ASP 79 2HB ASP 79 4.047 0.778 7.092 629 2HB ASP 79 1HB ASP 79 4.127 -0.845 7.777 630 HA PRO 80 HA PRO 80 2.408 -4.624 4.507 631 1HB PRO 80 2HB PRO 80 4.488 -4.685 2.524 632 2HB PRO 80 1HB PRO 80 2.741 -4.696 2.270 633 1HG PRO 80 2HG PRO 80 4.585 -2.555 1.752 634 2HG PRO 80 1HG PRO 80 2.838 -2.569 1.498 635 1HD PRO 80 2HD PRO 80 4.324 -1.148 3.525 636 2HD PRO 80 1HD PRO 80 2.564 -1.158 3.266 637 H GLY 81 HN GLY 81 5.855 -3.715 4.021 638 1HA GLY 81 1HA GLY 81 6.630 -5.223 6.418 639 2HA GLY 81 2HA GLY 81 7.721 -4.343 5.348 640 H THR 82 HN THR 82 7.590 -7.249 6.406 641 HA THR 82 HA THR 82 8.567 -8.485 3.940 642 HB THR 82 HB THR 82 9.050 -10.348 5.484 643 HG1 THR 82 1HG THR 82 8.407 -9.711 7.777 644 1HG2 THR 82 1HG2 THR 82 10.157 -7.851 5.561 645 2HG2 THR 82 3HG2 THR 82 9.686 -8.067 7.245 646 3HG2 THR 82 2HG2 THR 82 10.765 -9.231 6.476 647 H CYS 83 HN CYS 83 5.573 -8.393 5.714 648 HA CYS 83 HA CYS 83 4.360 -10.839 4.990 649 1HB CYS 83 2HB CYS 83 3.569 -8.865 6.471 650 2HB CYS 83 1HB CYS 83 2.941 -8.172 4.976 651 H GLU 84 HN GLU 84 4.178 -7.727 3.222 652 HA GLU 84 HA GLU 84 2.760 -8.656 0.956 653 1HB GLU 84 2HB GLU 84 3.274 -6.299 1.645 654 2HB GLU 84 1HB GLU 84 4.932 -6.544 1.098 655 1HG GLU 84 2HG GLU 84 4.072 -7.091 -1.173 656 2HG GLU 84 1HG GLU 84 2.433 -6.760 -0.611 657 H ILE 85 HN ILE 85 6.227 -8.882 1.720 658 HA ILE 85 HA ILE 85 6.752 -10.000 -0.991 659 HB ILE 85 HB ILE 85 9.063 -9.580 -0.435 660 1HG1 ILE 85 2HG1 ILE 85 8.006 -9.300 2.385 661 2HG1 ILE 85 1HG1 ILE 85 9.201 -10.453 1.793 662 1HG2 ILE 85 3HG2 ILE 85 7.035 -7.584 -0.242 663 2HG2 ILE 85 2HG2 ILE 85 8.278 -7.193 0.947 664 3HG2 ILE 85 1HG2 ILE 85 8.711 -7.379 -0.753 665 1HD1 ILE 85 2HD1 ILE 85 10.427 -8.159 1.083 666 2HD1 ILE 85 1HD1 ILE 85 9.512 -7.569 2.471 667 3HD1 ILE 85 3HD1 ILE 85 10.653 -8.899 2.669 668 H CYS 86 HN CYS 86 5.464 -11.298 1.616 669 HA CYS 86 HA CYS 86 5.509 -13.436 2.631 670 1HB CYS 86 2HB CYS 86 6.890 -14.109 0.017 671 2HB CYS 86 1HB CYS 86 5.916 -15.193 1.009 672 H ALA 87 HN ALA 87 8.031 -11.603 2.715 673 HA ALA 87 HA ALA 87 10.379 -13.216 2.738 674 1HB ALA 87 2HB ALA 87 10.713 -11.273 4.692 675 2HB ALA 87 3HB ALA 87 9.439 -10.599 3.676 676 3HB ALA 87 1HB ALA 87 10.993 -11.039 2.967 677 H TYR 88 HN TYR 88 7.648 -13.283 4.799 678 HA TYR 88 HA TYR 88 8.989 -15.226 6.582 679 1HB TYR 88 2HB TYR 88 7.939 -12.512 7.400 680 2HB TYR 88 1HB TYR 88 8.101 -13.827 8.564 681 HD1 TYR 88 HD1 TYR 88 10.439 -15.080 8.517 682 HD2 TYR 88 HD2 TYR 88 9.765 -11.106 7.037 683 HE1 TYR 88 HE1 TYR 88 12.861 -14.591 8.730 684 HE2 TYR 88 HE2 TYR 88 12.186 -10.615 7.250 685 HH TYR 88 HH TYR 88 14.211 -12.113 9.046 686 H ALA 89 HN ALA 89 7.156 -15.766 8.397 687 HA ALA 89 HA ALA 89 4.879 -16.803 6.909 688 1HB ALA 89 1HB ALA 89 6.222 -17.674 8.999 689 2HB ALA 89 3HB ALA 89 5.091 -16.669 9.906 690 3HB ALA 89 2HB ALA 89 4.489 -17.985 8.896 691 H ALA 90 HN ALA 90 5.492 -13.735 7.984 692 HA ALA 90 HA ALA 90 3.182 -12.906 9.398 693 1HB ALA 90 3HB ALA 90 4.277 -11.092 7.326 694 2HB ALA 90 1HB ALA 90 5.469 -11.783 8.427 695 3HB ALA 90 2HB ALA 90 4.120 -10.845 9.065 696 H CYS 91 HN CYS 91 3.687 -13.366 5.905 697 HA CYS 91 HA CYS 91 0.804 -12.670 5.463 698 1HB CYS 91 2HB CYS 91 3.309 -12.046 4.156 699 2HB CYS 91 1HB CYS 91 2.209 -12.829 3.023 700 H THR 92 HN THR 92 -0.527 -14.334 4.877 701 HA THR 92 HA THR 92 0.729 -16.933 4.082 702 HB THR 92 HB THR 92 -1.267 -17.921 5.008 703 HG1 THR 92 1HG THR 92 -2.262 -15.282 5.277 704 1HG2 THR 92 2HG2 THR 92 -0.293 -15.579 6.659 705 2HG2 THR 92 1HG2 THR 92 -1.323 -16.861 7.294 706 3HG2 THR 92 3HG2 THR 92 0.297 -17.240 6.712 707 H GLY 93 HN GLY 93 -0.317 -18.132 2.326 708 1HA GLY 93 1HA GLY 93 -2.118 -16.530 0.580 709 2HA GLY 93 2HA GLY 93 -1.884 -18.275 0.471 710 H CYS 94 HN CYS 94 1.115 -17.011 0.959 711 HA CYS 94 HA CYS 94 1.691 -16.137 -1.793 712 1HB CYS 94 2HB CYS 94 2.680 -15.364 0.500 713 2HB CYS 94 1HB CYS 94 3.698 -16.797 0.358 No H/Q in entry = 713 Start of MODEL 2 1 H1 VAL 1 3H VAL 1 -3.097 -11.115 -0.926 2 H2 VAL 1 2H VAL 1 -1.775 -10.051 -1.014 3 H3 VAL 1 1H VAL 1 -1.697 -11.571 -1.767 4 HA VAL 1 HA VAL 1 -1.510 -12.716 0.251 5 HB VAL 1 HB VAL 1 0.495 -11.723 1.090 6 1HG1 VAL 1 2HG1 VAL 1 0.222 -12.147 -1.495 7 2HG1 VAL 1 1HG1 VAL 1 0.348 -10.390 -1.597 8 3HG1 VAL 1 3HG1 VAL 1 1.664 -11.329 -0.890 9 1HG2 VAL 1 1HG2 VAL 1 -0.815 -9.124 0.272 10 2HG2 VAL 1 3HG2 VAL 1 -0.246 -9.603 1.871 11 3HG2 VAL 1 2HG2 VAL 1 0.915 -9.231 0.597 12 H THR 2 HN THR 2 -1.975 -12.854 2.503 13 HA THR 2 HA THR 2 -3.589 -10.574 3.606 14 HB THR 2 HB THR 2 -3.880 -13.562 4.049 15 HG1 THR 2 1HG THR 2 -5.169 -11.710 2.354 16 1HG2 THR 2 2HG2 THR 2 -5.524 -11.171 4.910 17 2HG2 THR 2 1HG2 THR 2 -6.104 -12.834 4.995 18 3HG2 THR 2 3HG2 THR 2 -4.708 -12.337 5.951 19 H VAL 3 HN VAL 3 -3.238 -10.056 5.796 20 HA VAL 3 HA VAL 3 -0.672 -10.958 6.944 21 HB VAL 3 HB VAL 3 -2.803 -8.934 7.694 22 1HG1 VAL 3 3HG1 VAL 3 -0.324 -9.833 9.145 23 2HG1 VAL 3 2HG1 VAL 3 -0.876 -8.163 9.287 24 3HG1 VAL 3 1HG1 VAL 3 -1.925 -9.486 9.798 25 1HG2 VAL 3 1HG2 VAL 3 -1.174 -8.620 5.708 26 2HG2 VAL 3 3HG2 VAL 3 -1.275 -7.316 6.892 27 3HG2 VAL 3 2HG2 VAL 3 0.078 -8.446 6.939 28 H GLN 4 HN GLN 4 -0.640 -12.758 8.246 29 HA GLN 4 HA GLN 4 -3.164 -13.514 9.668 30 1HB GLN 4 2HB GLN 4 -2.299 -15.115 8.033 31 2HB GLN 4 1HB GLN 4 -0.713 -15.082 8.804 32 1HG GLN 4 2HG GLN 4 -1.746 -15.956 10.893 33 2HG GLN 4 1HG GLN 4 -3.296 -16.059 10.060 34 1HE2 GLN 4 1HE2 GLN 4 -3.702 -18.111 9.239 35 2HE2 GLN 4 2HE2 GLN 4 -2.518 -19.215 8.729 36 H ASP 5 HN ASP 5 -3.124 -12.961 11.809 37 HA ASP 5 HA ASP 5 -0.531 -12.665 13.224 38 1HB ASP 5 2HB ASP 5 -2.376 -10.968 13.328 39 2HB ASP 5 1HB ASP 5 -3.393 -12.178 14.113 40 H GLY 6 HN GLY 6 -2.268 -15.246 12.453 41 1HA GLY 6 1HA GLY 6 -2.981 -16.538 14.885 42 2HA GLY 6 2HA GLY 6 -1.299 -16.928 14.528 43 H ASN 7 HN ASN 7 -4.081 -18.387 14.325 44 HA ASN 7 HA ASN 7 -3.348 -19.910 11.907 45 1HB ASN 7 2HB ASN 7 -5.532 -20.191 13.999 46 2HB ASN 7 1HB ASN 7 -5.183 -21.385 12.748 47 1HD2 ASN 7 1HD2 ASN 7 -4.875 -21.561 15.779 48 2HD2 ASN 7 2HD2 ASN 7 -3.257 -22.015 16.019 49 H PHE 8 HN PHE 8 -4.961 -17.097 12.295 50 HA PHE 8 HA PHE 8 -6.940 -17.735 10.129 51 1HB PHE 8 2HB PHE 8 -7.114 -15.710 12.383 52 2HB PHE 8 1HB PHE 8 -8.378 -16.050 11.202 53 HD1 PHE 8 HD1 PHE 8 -6.554 -17.318 14.141 54 HD2 PHE 8 HD2 PHE 8 -9.668 -18.124 11.294 55 HE1 PHE 8 HE1 PHE 8 -7.380 -19.171 15.568 56 HE2 PHE 8 HE2 PHE 8 -10.492 -19.978 12.720 57 HZ PHE 8 HZ PHE 8 -9.348 -20.502 14.857 58 H SER 9 HN SER 9 -6.846 -16.387 8.333 59 HA SER 9 HA SER 9 -4.590 -14.529 8.104 60 1HB SER 9 2HB SER 9 -5.116 -14.620 5.807 61 2HB SER 9 1HB SER 9 -5.654 -16.195 6.393 62 HG SER 9 HG SER 9 -7.740 -15.450 6.455 63 H PHE 10 HN PHE 10 -4.728 -12.389 8.621 64 HA PHE 10 HA PHE 10 -7.441 -11.112 8.723 65 1HB PHE 10 2HB PHE 10 -4.844 -10.472 10.162 66 2HB PHE 10 1HB PHE 10 -6.374 -9.631 10.402 67 HD1 PHE 10 HD1 PHE 10 -7.838 -12.499 9.896 68 HD2 PHE 10 HD2 PHE 10 -4.914 -10.961 12.642 69 HE1 PHE 10 HE1 PHE 10 -8.510 -14.202 11.570 70 HE2 PHE 10 HE2 PHE 10 -5.586 -12.663 14.313 71 HZ PHE 10 HZ PHE 10 -7.384 -14.284 13.777 72 H SER 11 HN SER 11 -7.782 -9.551 7.172 73 HA SER 11 HA SER 11 -5.665 -8.703 5.373 74 1HB SER 11 2HB SER 11 -7.465 -7.500 4.312 75 2HB SER 11 1HB SER 11 -8.152 -9.011 4.910 76 HG SER 11 HG SER 11 -9.149 -6.770 5.394 77 H LEU 12 HN LEU 12 -5.245 -6.287 5.025 78 HA LEU 12 HA LEU 12 -4.675 -5.020 7.647 79 1HB LEU 12 2HB LEU 12 -3.891 -4.372 4.787 80 2HB LEU 12 1HB LEU 12 -3.257 -3.556 6.216 81 HG LEU 12 HG LEU 12 -2.564 -5.904 7.029 82 1HD1 LEU 12 1HD1 LEU 12 -3.536 -6.435 4.261 83 2HD1 LEU 12 3HD1 LEU 12 -2.061 -7.261 4.765 84 3HD1 LEU 12 2HD1 LEU 12 -3.552 -7.484 5.680 85 1HD2 LEU 12 2HD2 LEU 12 -1.039 -4.116 6.097 86 2HD2 LEU 12 1HD2 LEU 12 -0.464 -5.764 5.844 87 3HD2 LEU 12 3HD2 LEU 12 -1.214 -4.879 4.517 88 H GLU 13 HN GLU 13 -6.848 -4.694 4.947 89 HA GLU 13 HA GLU 13 -7.466 -1.933 5.015 90 1HB GLU 13 2HB GLU 13 -8.207 -3.623 3.342 91 2HB GLU 13 1HB GLU 13 -9.301 -4.306 4.546 92 1HG GLU 13 2HG GLU 13 -10.462 -2.130 4.717 93 2HG GLU 13 1HG GLU 13 -9.370 -1.455 3.508 94 H SER 14 HN SER 14 -9.536 -4.465 6.501 95 HA SER 14 HA SER 14 -11.205 -2.922 8.055 96 1HB SER 14 2HB SER 14 -9.774 -5.391 9.065 97 2HB SER 14 1HB SER 14 -11.412 -4.873 9.455 98 HG SER 14 HG SER 14 -11.505 -4.988 6.935 99 H VAL 15 HN VAL 15 -7.918 -3.968 9.037 100 HA VAL 15 HA VAL 15 -7.925 -2.625 11.572 101 HB VAL 15 HB VAL 15 -5.714 -3.446 9.663 102 1HG1 VAL 15 2HG1 VAL 15 -5.227 -1.709 11.565 103 2HG1 VAL 15 1HG1 VAL 15 -5.401 -3.100 12.634 104 3HG1 VAL 15 3HG1 VAL 15 -4.160 -3.101 11.382 105 1HG2 VAL 15 1HG2 VAL 15 -7.426 -4.821 11.655 106 2HG2 VAL 15 3HG2 VAL 15 -6.596 -5.475 10.240 107 3HG2 VAL 15 2HG2 VAL 15 -5.706 -5.208 11.740 108 H LYS 16 HN LYS 16 -6.545 -1.653 8.399 109 HA LYS 16 HA LYS 16 -5.591 0.906 9.149 110 1HB LYS 16 2HB LYS 16 -5.071 -0.053 7.005 111 2HB LYS 16 1HB LYS 16 -6.780 -0.229 6.600 112 1HG LYS 16 2HG LYS 16 -6.071 1.701 5.406 113 2HG LYS 16 1HG LYS 16 -6.919 2.333 6.816 114 1HD LYS 16 2HD LYS 16 -4.765 2.632 7.983 115 2HD LYS 16 1HD LYS 16 -3.913 1.981 6.584 116 1HE LYS 16 2HE LYS 16 -3.782 4.152 5.887 117 2HE LYS 16 1HE LYS 16 -5.497 3.983 5.474 118 1HZ LYS 16 2HZ LYS 16 -5.465 4.325 8.190 119 2HZ LYS 16 1HZ LYS 16 -4.285 5.416 7.641 120 3HZ LYS 16 3HZ LYS 16 -5.869 5.512 7.046 121 H LYS 17 HN LYS 17 -8.793 -0.023 7.842 122 HA LYS 17 HA LYS 17 -9.917 2.642 8.291 123 1HB LYS 17 2HB LYS 17 -11.115 -0.052 7.567 124 2HB LYS 17 1HB LYS 17 -11.975 1.485 7.487 125 1HG LYS 17 2HG LYS 17 -10.262 2.320 5.880 126 2HG LYS 17 1HG LYS 17 -9.494 0.732 5.912 127 1HD LYS 17 2HD LYS 17 -11.650 -0.277 5.148 128 2HD LYS 17 1HD LYS 17 -12.324 1.346 5.010 129 1HE LYS 17 2HE LYS 17 -9.905 1.511 3.620 130 2HE LYS 17 1HE LYS 17 -10.566 -0.071 3.162 131 1HZ LYS 17 3HZ LYS 17 -12.780 1.239 3.039 132 2HZ LYS 17 2HZ LYS 17 -11.781 2.606 2.894 133 3HZ LYS 17 1HZ LYS 17 -11.688 1.356 1.746 134 H LEU 18 HN LEU 18 -9.049 0.289 10.428 135 HA LEU 18 HA LEU 18 -11.368 -0.128 12.045 136 1HB LEU 18 2HB LEU 18 -9.202 -1.390 12.026 137 2HB LEU 18 1HB LEU 18 -8.428 0.001 12.784 138 HG LEU 18 HG LEU 18 -9.684 -0.253 14.780 139 1HD1 LEU 18 3HD1 LEU 18 -11.433 -2.112 13.148 140 2HD1 LEU 18 2HD1 LEU 18 -11.548 -1.967 14.902 141 3HD1 LEU 18 1HD1 LEU 18 -11.895 -0.575 13.878 142 1HD2 LEU 18 2HD2 LEU 18 -7.904 -1.983 14.392 143 2HD2 LEU 18 1HD2 LEU 18 -9.189 -2.532 15.470 144 3HD2 LEU 18 3HD2 LEU 18 -9.156 -3.073 13.791 145 H LYS 19 HN LYS 19 -8.873 2.416 12.035 146 HA LYS 19 HA LYS 19 -9.520 3.702 14.478 147 1HB LYS 19 2HB LYS 19 -7.558 4.138 13.007 148 2HB LYS 19 1HB LYS 19 -8.631 4.900 11.833 149 1HG LYS 19 2HG LYS 19 -9.265 6.604 13.464 150 2HG LYS 19 1HG LYS 19 -8.303 5.809 14.709 151 1HD LYS 19 2HD LYS 19 -7.028 7.675 13.798 152 2HD LYS 19 1HD LYS 19 -6.269 6.165 13.295 153 1HE LYS 19 2HE LYS 19 -8.344 7.095 11.425 154 2HE LYS 19 1HE LYS 19 -6.968 8.205 11.573 155 1HZ LYS 19 1HZ LYS 19 -5.640 5.965 11.549 156 2HZ LYS 19 3HZ LYS 19 -7.011 5.387 10.735 157 3HZ LYS 19 2HZ LYS 19 -6.127 6.688 10.090 158 H ASP 20 HN ASP 20 -10.982 4.011 11.253 159 HA ASP 20 HA ASP 20 -13.229 5.541 12.513 160 1HB ASP 20 2HB ASP 20 -13.258 6.820 10.322 161 2HB ASP 20 1HB ASP 20 -11.824 7.096 11.309 162 H LEU 21 HN LEU 21 -15.156 4.517 12.147 163 HA LEU 21 HA LEU 21 -15.286 2.286 10.221 164 1HB LEU 21 2HB LEU 21 -16.874 3.398 12.495 165 2HB LEU 21 1HB LEU 21 -17.733 2.413 11.311 166 HG LEU 21 HG LEU 21 -15.271 1.602 12.888 167 1HD1 LEU 21 1HD1 LEU 21 -17.388 1.547 14.160 168 2HD1 LEU 21 3HD1 LEU 21 -18.123 0.568 12.892 169 3HD1 LEU 21 2HD1 LEU 21 -16.795 -0.086 13.851 170 1HD2 LEU 21 1HD2 LEU 21 -16.737 0.330 10.582 171 2HD2 LEU 21 3HD2 LEU 21 -15.001 0.544 10.800 172 3HD2 LEU 21 2HD2 LEU 21 -15.867 -0.662 11.752 173 H GLN 22 HN GLN 22 -16.030 2.592 8.155 174 HA GLN 22 HA GLN 22 -18.092 4.684 7.655 175 1HB GLN 22 2HB GLN 22 -15.411 4.424 6.252 176 2HB GLN 22 1HB GLN 22 -16.696 5.529 5.766 177 1HG GLN 22 2HG GLN 22 -16.589 6.632 7.968 178 2HG GLN 22 1HG GLN 22 -15.316 5.519 8.468 179 1HE2 GLN 22 1HE2 GLN 22 -14.652 8.205 8.517 180 2HE2 GLN 22 2HE2 GLN 22 -13.623 8.591 7.222 181 H GLU 23 HN GLU 23 -18.778 2.067 7.647 182 HA GLU 23 HA GLU 23 -19.681 0.350 6.294 183 1HB GLU 23 2HB GLU 23 -19.698 2.890 4.723 184 2HB GLU 23 1HB GLU 23 -20.085 1.401 3.859 185 1HG GLU 23 2HG GLU 23 -22.176 1.559 4.687 186 2HG GLU 23 1HG GLU 23 -21.501 1.239 6.285 187 HA PRO 24 HA PRO 24 -15.345 -0.213 4.480 188 1HB PRO 24 2HB PRO 24 -15.189 -2.596 6.085 189 2HB PRO 24 1HB PRO 24 -14.226 -1.123 6.229 190 1HG PRO 24 2HG PRO 24 -16.283 -2.058 7.996 191 2HG PRO 24 1HG PRO 24 -15.336 -0.575 8.128 192 1HD PRO 24 2HD PRO 24 -18.125 -0.850 7.405 193 2HD PRO 24 1HD PRO 24 -17.180 0.647 7.578 194 H GLN 25 HN GLN 25 -17.451 -0.698 2.922 195 HA GLN 25 HA GLN 25 -18.339 -3.402 2.615 196 1HB GLN 25 2HB GLN 25 -18.053 -1.087 0.673 197 2HB GLN 25 1HB GLN 25 -18.985 -2.549 0.344 198 1HG GLN 25 2HG GLN 25 -20.433 -2.092 2.263 199 2HG GLN 25 1HG GLN 25 -19.467 -0.678 2.685 200 1HE2 GLN 25 1HE2 GLN 25 -22.251 -0.416 2.094 201 2HE2 GLN 25 2HE2 GLN 25 -22.417 0.436 0.636 202 H GLU 26 HN GLU 26 -15.351 -1.846 1.784 203 HA GLU 26 HA GLU 26 -13.378 -2.758 0.845 204 1HB GLU 26 2HB GLU 26 -14.701 -4.793 2.121 205 2HB GLU 26 1HB GLU 26 -14.582 -5.432 0.482 206 1HG GLU 26 2HG GLU 26 -12.070 -4.443 0.799 207 2HG GLU 26 1HG GLU 26 -12.443 -4.892 2.463 208 HA PRO 27 HA PRO 27 -15.965 -2.708 -3.171 209 1HB PRO 27 2HB PRO 27 -14.721 -0.183 -3.761 210 2HB PRO 27 1HB PRO 27 -16.430 -0.508 -3.466 211 1HG PRO 27 2HG PRO 27 -14.566 0.844 -1.747 212 2HG PRO 27 1HG PRO 27 -16.277 0.528 -1.456 213 1HD PRO 27 2HD PRO 27 -14.009 -0.718 -0.181 214 2HD PRO 27 1HD PRO 27 -15.736 -1.044 0.099 215 H ARG 28 HN ARG 28 -14.962 -3.111 -5.237 216 HA ARG 28 HA ARG 28 -12.300 -4.160 -5.196 217 1HB ARG 28 2HB ARG 28 -14.161 -4.783 -6.743 218 2HB ARG 28 1HB ARG 28 -13.996 -3.213 -7.531 219 1HG ARG 28 2HG ARG 28 -11.629 -3.764 -8.068 220 2HG ARG 28 1HG ARG 28 -11.856 -5.356 -7.345 221 1HD ARG 28 2HD ARG 28 -13.689 -5.801 -8.993 222 2HD ARG 28 1HD ARG 28 -13.330 -4.242 -9.760 223 HE ARG 28 HE ARG 28 -11.419 -6.542 -9.598 224 1HH1 ARG 28 1HH1 ARG 28 -12.974 -4.514 -11.710 225 2HH1 ARG 28 2HH1 ARG 28 -11.561 -4.014 -12.579 226 1HH2 ARG 28 1HH2 ARG 28 -9.349 -5.464 -10.336 227 2HH2 ARG 28 2HH2 ARG 28 -9.508 -4.552 -11.800 228 H VAL 29 HN VAL 29 -10.687 -2.675 -4.628 229 HA VAL 29 HA VAL 29 -10.433 -0.252 -6.384 230 HB VAL 29 HB VAL 29 -11.066 0.177 -4.004 231 1HG1 VAL 29 1HG1 VAL 29 -9.679 -1.918 -3.275 232 2HG1 VAL 29 3HG1 VAL 29 -8.322 -0.792 -3.233 233 3HG1 VAL 29 2HG1 VAL 29 -9.728 -0.516 -2.205 234 1HG2 VAL 29 1HG2 VAL 29 -9.211 1.480 -5.524 235 2HG2 VAL 29 3HG2 VAL 29 -9.759 2.047 -3.946 236 3HG2 VAL 29 2HG2 VAL 29 -8.263 1.123 -4.079 237 H GLY 30 HN GLY 30 -8.391 0.086 -7.290 238 1HA GLY 30 1HA GLY 30 -6.428 -0.918 -8.259 239 2HA GLY 30 2HA GLY 30 -6.449 -2.133 -6.981 240 H LYS 31 HN LYS 31 -7.017 0.675 -5.403 241 HA LYS 31 HA LYS 31 -4.306 1.786 -5.328 242 1HB LYS 31 2HB LYS 31 -6.805 2.212 -3.657 243 2HB LYS 31 1HB LYS 31 -5.360 3.219 -3.573 244 1HG LYS 31 2HG LYS 31 -5.622 3.725 -6.005 245 2HG LYS 31 1HG LYS 31 -7.127 2.806 -6.003 246 1HD LYS 31 2HD LYS 31 -8.034 4.327 -4.266 247 2HD LYS 31 1HD LYS 31 -6.539 5.261 -4.318 248 1HE LYS 31 2HE LYS 31 -7.377 5.037 -7.008 249 2HE LYS 31 1HE LYS 31 -8.833 5.435 -6.076 250 1HZ LYS 31 2HZ LYS 31 -6.293 6.781 -5.444 251 2HZ LYS 31 1HZ LYS 31 -7.189 7.317 -6.784 252 3HZ LYS 31 3HZ LYS 31 -7.884 7.340 -5.237 253 H LEU 32 HN LEU 32 -2.830 1.563 -3.582 254 HA LEU 32 HA LEU 32 -3.272 -0.834 -1.869 255 1HB LEU 32 2HB LEU 32 -1.252 -0.538 -3.352 256 2HB LEU 32 1HB LEU 32 -0.788 0.838 -2.351 257 HG LEU 32 HG LEU 32 -0.876 -0.721 -0.351 258 1HD1 LEU 32 1HD1 LEU 32 -1.826 -2.495 -2.446 259 2HD1 LEU 32 3HD1 LEU 32 -0.414 -3.174 -1.636 260 3HD1 LEU 32 2HD1 LEU 32 -1.840 -2.731 -0.698 261 1HD2 LEU 32 3HD2 LEU 32 1.112 -0.401 -2.367 262 2HD2 LEU 32 2HD2 LEU 32 1.352 -0.785 -0.664 263 3HD2 LEU 32 1HD2 LEU 32 1.161 -2.083 -1.841 264 H ARG 33 HN ARG 33 -3.889 -0.497 0.229 265 HA ARG 33 HA ARG 33 -4.063 2.135 1.406 266 1HB ARG 33 2HB ARG 33 -4.230 -0.677 2.541 267 2HB ARG 33 1HB ARG 33 -4.709 0.777 3.415 268 1HG ARG 33 2HG ARG 33 -6.313 1.293 1.557 269 2HG ARG 33 1HG ARG 33 -5.902 -0.258 0.826 270 1HD ARG 33 2HD ARG 33 -6.619 -1.390 2.956 271 2HD ARG 33 1HD ARG 33 -7.175 0.187 3.550 272 HE ARG 33 HE ARG 33 -8.676 -1.407 1.781 273 1HH1 ARG 33 1HH1 ARG 33 -8.301 1.770 2.725 274 2HH1 ARG 33 2HH1 ARG 33 -9.050 2.469 1.329 275 1HH2 ARG 33 1HH2 ARG 33 -9.208 -0.524 -0.413 276 2HH2 ARG 33 2HH2 ARG 33 -9.564 1.171 -0.447 277 H ASN 34 HN ASN 34 -2.602 3.186 2.732 278 HA ASN 34 HA ASN 34 -0.521 1.827 4.218 279 1HB ASN 34 2HB ASN 34 0.200 1.638 1.793 280 2HB ASN 34 1HB ASN 34 0.340 3.395 1.772 281 1HD2 ASN 34 1HD2 ASN 34 2.640 1.725 1.381 282 2HD2 ASN 34 2HD2 ASN 34 3.670 1.913 2.716 283 H PHE 35 HN PHE 35 -2.572 3.977 4.506 284 HA PHE 35 HA PHE 35 -0.813 6.315 5.146 285 1HB PHE 35 2HB PHE 35 -2.692 6.633 3.551 286 2HB PHE 35 1HB PHE 35 -3.819 6.080 4.788 287 HD1 PHE 35 HD1 PHE 35 -1.561 8.798 3.746 288 HD2 PHE 35 HD2 PHE 35 -4.340 7.458 6.733 289 HE1 PHE 35 HE1 PHE 35 -1.667 11.094 4.677 290 HE2 PHE 35 HE2 PHE 35 -4.446 9.753 7.666 291 HZ PHE 35 HZ PHE 35 -3.110 11.571 6.637 292 H ALA 36 HN ALA 36 -1.916 3.658 6.660 293 HA ALA 36 HA ALA 36 -3.345 4.512 8.954 294 1HB ALA 36 1HB ALA 36 -3.230 2.246 8.982 295 2HB ALA 36 3HB ALA 36 -1.747 2.239 8.030 296 3HB ALA 36 2HB ALA 36 -1.671 2.453 9.779 297 HA PRO 37 HA PRO 37 -0.224 7.148 10.784 298 1HB PRO 37 2HB PRO 37 -1.781 7.126 13.205 299 2HB PRO 37 1HB PRO 37 -1.654 8.413 12.005 300 1HG PRO 37 2HG PRO 37 -3.889 6.684 12.509 301 2HG PRO 37 1HG PRO 37 -3.759 7.961 11.297 302 1HD PRO 37 2HD PRO 37 -3.759 5.102 10.873 303 2HD PRO 37 1HD PRO 37 -3.648 6.390 9.650 304 H ILE 38 HN ILE 38 -0.192 6.817 13.787 305 HA ILE 38 HA ILE 38 1.357 4.255 13.863 306 HB ILE 38 HB ILE 38 2.305 5.489 15.961 307 1HG1 ILE 38 2HG1 ILE 38 0.312 7.214 15.617 308 2HG1 ILE 38 1HG1 ILE 38 1.878 7.746 16.226 309 1HG2 ILE 38 1HG2 ILE 38 2.787 5.970 13.070 310 2HG2 ILE 38 3HG2 ILE 38 3.552 7.099 14.187 311 3HG2 ILE 38 2HG2 ILE 38 3.887 5.372 14.311 312 1HD1 ILE 38 1HD1 ILE 38 1.550 7.676 13.267 313 2HD1 ILE 38 3HD1 ILE 38 0.662 8.930 14.132 314 3HD1 ILE 38 2HD1 ILE 38 2.417 8.835 14.274 315 HA PRO 39 HA PRO 39 -1.288 2.397 16.819 316 1HB PRO 39 2HB PRO 39 0.732 1.949 18.820 317 2HB PRO 39 1HB PRO 39 0.088 0.798 17.645 318 1HG PRO 39 2HG PRO 39 2.678 2.055 17.662 319 2HG PRO 39 1HG PRO 39 2.046 0.882 16.504 320 1HD PRO 39 2HD PRO 39 2.519 3.689 16.081 321 2HD PRO 39 1HD PRO 39 1.833 2.518 14.930 322 H GLY 40 HN GLY 40 -2.301 2.779 18.929 323 1HA GLY 40 1HA GLY 40 -1.887 5.554 19.874 324 2HA GLY 40 2HA GLY 40 -1.721 4.271 21.073 325 H GLU 41 HN GLU 41 -3.864 2.729 19.482 326 HA GLU 41 HA GLU 41 -6.198 4.154 20.702 327 1HB GLU 41 2HB GLU 41 -6.094 4.559 18.270 328 2HB GLU 41 1HB GLU 41 -6.003 2.822 17.978 329 1HG GLU 41 2HG GLU 41 -8.247 2.668 18.066 330 2HG GLU 41 1HG GLU 41 -8.248 3.360 19.688 331 HA PRO 42 HA PRO 42 -5.892 -0.160 22.297 332 1HB PRO 42 2HB PRO 42 -7.503 0.796 24.481 333 2HB PRO 42 1HB PRO 42 -5.800 0.334 24.505 334 1HG PRO 42 2HG PRO 42 -6.921 2.977 24.679 335 2HG PRO 42 1HG PRO 42 -5.217 2.515 24.720 336 1HD PRO 42 2HD PRO 42 -6.635 3.847 22.591 337 2HD PRO 42 1HD PRO 42 -4.924 3.358 22.621 338 H VAL 43 HN VAL 43 -7.481 -1.735 22.003 339 HA VAL 43 HA VAL 43 -10.304 -0.797 21.626 340 HB VAL 43 HB VAL 43 -10.416 -2.272 19.674 341 1HG1 VAL 43 3HG1 VAL 43 -7.975 -0.472 19.695 342 2HG1 VAL 43 2HG1 VAL 43 -8.708 -1.134 18.233 343 3HG1 VAL 43 1HG1 VAL 43 -9.619 -0.013 19.246 344 1HG2 VAL 43 3HG2 VAL 43 -7.986 -3.333 20.884 345 2HG2 VAL 43 2HG2 VAL 43 -9.051 -4.071 19.689 346 3HG2 VAL 43 1HG2 VAL 43 -7.763 -2.986 19.170 347 H VAL 44 HN VAL 44 -11.846 -2.726 21.730 348 HA VAL 44 HA VAL 44 -12.666 -4.655 22.821 349 HB VAL 44 HB VAL 44 -9.743 -5.296 23.282 350 1HG1 VAL 44 3HG1 VAL 44 -11.725 -6.676 24.247 351 2HG1 VAL 44 2HG1 VAL 44 -11.980 -7.187 22.578 352 3HG1 VAL 44 1HG1 VAL 44 -10.451 -7.538 23.384 353 1HG2 VAL 44 1HG2 VAL 44 -10.375 -4.562 20.880 354 2HG2 VAL 44 3HG2 VAL 44 -9.564 -6.116 21.072 355 3HG2 VAL 44 2HG2 VAL 44 -11.308 -6.056 20.818 356 HA PRO 45 HA PRO 45 -11.396 -2.314 26.776 357 1HB PRO 45 2HB PRO 45 -14.152 -1.511 26.979 358 2HB PRO 45 1HB PRO 45 -12.738 -0.483 26.734 359 1HG PRO 45 2HG PRO 45 -14.786 -1.161 24.831 360 2HG PRO 45 1HG PRO 45 -13.386 -0.114 24.593 361 1HD PRO 45 2HD PRO 45 -13.822 -2.748 23.508 362 2HD PRO 45 1HD PRO 45 -12.395 -1.706 23.298 363 H ILE 46 HN ILE 46 -14.454 -3.946 25.921 364 HA ILE 46 HA ILE 46 -14.049 -5.863 28.159 365 HB ILE 46 HB ILE 46 -16.503 -4.124 27.725 366 1HG1 ILE 46 2HG1 ILE 46 -14.498 -4.241 29.999 367 2HG1 ILE 46 1HG1 ILE 46 -14.605 -2.955 28.797 368 1HG2 ILE 46 3HG2 ILE 46 -16.192 -6.700 28.955 369 2HG2 ILE 46 2HG2 ILE 46 -16.546 -5.512 30.209 370 3HG2 ILE 46 1HG2 ILE 46 -17.645 -5.708 28.845 371 1HD1 ILE 46 3HD1 ILE 46 -17.200 -3.107 29.702 372 2HD1 ILE 46 2HD1 ILE 46 -16.282 -3.455 31.166 373 3HD1 ILE 46 1HD1 ILE 46 -16.000 -1.953 30.285 374 H LEU 47 HN LEU 47 -15.979 -4.839 25.357 375 HA LEU 47 HA LEU 47 -16.193 -7.691 24.514 376 1HB LEU 47 2HB LEU 47 -18.504 -5.725 24.681 377 2HB LEU 47 1HB LEU 47 -18.604 -7.412 24.174 378 HG LEU 47 HG LEU 47 -17.711 -6.464 26.916 379 1HD1 LEU 47 1HD1 LEU 47 -20.310 -6.704 25.825 380 2HD1 LEU 47 3HD1 LEU 47 -20.080 -8.115 26.858 381 3HD1 LEU 47 2HD1 LEU 47 -19.880 -6.493 27.523 382 1HD2 LEU 47 3HD2 LEU 47 -17.178 -8.859 25.570 383 2HD2 LEU 47 2HD2 LEU 47 -17.052 -8.588 27.308 384 3HD2 LEU 47 1HD2 LEU 47 -18.539 -9.242 26.624 385 H CYS 48 HN CYS 48 -14.524 -6.776 22.985 386 HA CYS 48 HA CYS 48 -13.928 -5.941 20.859 387 1HB CYS 48 2HB CYS 48 -16.915 -6.396 20.627 388 2HB CYS 48 1HB CYS 48 -15.894 -6.000 19.245 389 H SER 49 HN SER 49 -13.691 -3.914 19.862 390 HA SER 49 HA SER 49 -15.124 -1.656 21.172 391 1HB SER 49 2HB SER 49 -12.488 -2.213 20.058 392 2HB SER 49 1HB SER 49 -13.147 -0.698 19.443 393 HG SER 49 HG SER 49 -12.463 0.040 21.286 394 H ASN 50 HN ASN 50 -13.833 -2.044 17.880 395 HA ASN 50 HA ASN 50 -16.014 -0.495 16.720 396 1HB ASN 50 2HB ASN 50 -13.475 -1.794 15.922 397 2HB ASN 50 1HB ASN 50 -14.684 -1.676 14.643 398 1HD2 ASN 50 1HD2 ASN 50 -15.925 0.784 15.357 399 2HD2 ASN 50 2HD2 ASN 50 -14.790 2.036 15.197 400 HA PRO 51 HA PRO 51 -18.654 -4.152 16.583 401 1HB PRO 51 2HB PRO 51 -20.549 -2.541 15.136 402 2HB PRO 51 1HB PRO 51 -20.624 -3.056 16.822 403 1HG PRO 51 2HG PRO 51 -20.102 -0.422 15.807 404 2HG PRO 51 1HG PRO 51 -20.167 -0.940 17.493 405 1HD PRO 51 2HD PRO 51 -17.837 -0.199 15.954 406 2HD PRO 51 1HD PRO 51 -17.905 -0.711 17.655 407 H ASN 52 HN ASN 52 -17.235 -2.307 14.065 408 HA ASN 52 HA ASN 52 -17.960 -4.429 12.077 409 1HB ASN 52 2HB ASN 52 -19.065 -2.075 11.967 410 2HB ASN 52 1HB ASN 52 -17.485 -1.529 11.411 411 1HD2 ASN 52 1HD2 ASN 52 -18.679 -1.057 9.342 412 2HD2 ASN 52 2HD2 ASN 52 -18.916 -2.317 8.227 413 H PHE 53 HN PHE 53 -15.561 -4.205 13.798 414 HA PHE 53 HA PHE 53 -13.375 -3.207 12.114 415 1HB PHE 53 2HB PHE 53 -12.105 -3.607 14.026 416 2HB PHE 53 1HB PHE 53 -13.705 -3.474 14.751 417 HD1 PHE 53 HD1 PHE 53 -15.060 -5.912 14.354 418 HD2 PHE 53 HD2 PHE 53 -10.848 -5.323 14.962 419 HE1 PHE 53 HE1 PHE 53 -14.859 -8.230 15.215 420 HE2 PHE 53 HE2 PHE 53 -10.647 -7.642 15.821 421 HZ PHE 53 HZ PHE 53 -12.651 -9.094 15.948 422 HA PRO 54 HA PRO 54 -12.123 -6.872 10.010 423 1HB PRO 54 2HB PRO 54 -9.871 -7.668 11.624 424 2HB PRO 54 1HB PRO 54 -9.851 -6.848 10.065 425 1HG PRO 54 2HG PRO 54 -9.235 -5.760 12.651 426 2HG PRO 54 1HG PRO 54 -9.219 -4.926 11.096 427 1HD PRO 54 2HD PRO 54 -11.098 -4.605 13.246 428 2HD PRO 54 1HD PRO 54 -11.115 -3.791 11.666 429 H GLU 55 HN GLU 55 -14.167 -7.739 11.143 430 HA GLU 55 HA GLU 55 -14.375 -9.236 13.440 431 1HB GLU 55 2HB GLU 55 -16.110 -8.789 11.694 432 2HB GLU 55 1HB GLU 55 -15.380 -10.051 10.696 433 1HG GLU 55 2HG GLU 55 -15.769 -11.695 12.512 434 2HG GLU 55 1HG GLU 55 -16.532 -10.432 13.478 435 H GLU 56 HN GLU 56 -12.782 -10.265 10.425 436 HA GLU 56 HA GLU 56 -12.336 -12.993 10.995 437 1HB GLU 56 2HB GLU 56 -10.551 -10.906 9.691 438 2HB GLU 56 1HB GLU 56 -10.327 -12.648 9.532 439 1HG GLU 56 2HG GLU 56 -12.630 -12.818 8.579 440 2HG GLU 56 1HG GLU 56 -12.762 -11.062 8.656 441 H LEU 57 HN LEU 57 -11.142 -10.175 12.551 442 HA LEU 57 HA LEU 57 -8.891 -11.575 13.892 443 1HB LEU 57 2HB LEU 57 -9.954 -8.747 13.728 444 2HB LEU 57 1HB LEU 57 -8.690 -9.189 14.879 445 HG LEU 57 HG LEU 57 -7.351 -10.100 12.988 446 1HD1 LEU 57 1HD1 LEU 57 -9.831 -9.419 11.544 447 2HD1 LEU 57 3HD1 LEU 57 -8.345 -8.934 10.729 448 3HD1 LEU 57 2HD1 LEU 57 -8.601 -10.623 11.164 449 1HD2 LEU 57 3HD2 LEU 57 -7.783 -7.420 13.704 450 2HD2 LEU 57 2HD2 LEU 57 -6.385 -8.064 12.840 451 3HD2 LEU 57 1HD2 LEU 57 -7.761 -7.422 11.941 452 H LYS 58 HN LYS 58 -11.998 -11.832 14.242 453 HA LYS 58 HA LYS 58 -13.040 -10.996 16.628 454 1HB LYS 58 2HB LYS 58 -13.212 -13.349 14.903 455 2HB LYS 58 1HB LYS 58 -13.629 -13.717 16.577 456 1HG LYS 58 2HG LYS 58 -14.761 -11.188 15.558 457 2HG LYS 58 1HG LYS 58 -15.372 -12.638 14.760 458 1HD LYS 58 2HD LYS 58 -16.758 -12.879 16.529 459 2HD LYS 58 1HD LYS 58 -15.330 -13.318 17.466 460 1HE LYS 58 2HE LYS 58 -15.959 -11.515 18.753 461 2HE LYS 58 1HE LYS 58 -15.144 -10.582 17.483 462 1HZ LYS 58 3HZ LYS 58 -17.480 -11.020 16.317 463 2HZ LYS 58 2HZ LYS 58 -17.998 -11.022 17.936 464 3HZ LYS 58 1HZ LYS 58 -17.201 -9.664 17.297 465 HA PRO 59 HA PRO 59 -10.715 -14.604 18.995 466 1HB PRO 59 2HB PRO 59 -8.217 -14.867 17.581 467 2HB PRO 59 1HB PRO 59 -9.444 -16.103 17.869 468 1HG PRO 59 2HG PRO 59 -8.849 -14.685 15.408 469 2HG PRO 59 1HG PRO 59 -9.965 -16.029 15.659 470 1HD PRO 59 2HD PRO 59 -10.661 -13.335 15.115 471 2HD PRO 59 1HD PRO 59 -11.772 -14.623 15.631 472 H LEU 60 HN LEU 60 -8.766 -12.182 17.198 473 HA LEU 60 HA LEU 60 -6.975 -11.517 19.304 474 1HB LEU 60 2HB LEU 60 -8.157 -9.960 16.986 475 2HB LEU 60 1HB LEU 60 -6.836 -9.350 17.982 476 HG LEU 60 HG LEU 60 -6.777 -11.986 16.479 477 1HD1 LEU 60 3HD1 LEU 60 -6.059 -9.206 15.720 478 2HD1 LEU 60 2HD1 LEU 60 -4.873 -10.448 15.316 479 3HD1 LEU 60 1HD1 LEU 60 -6.522 -10.567 14.699 480 1HD2 LEU 60 1HD2 LEU 60 -4.720 -10.427 18.063 481 2HD2 LEU 60 3HD2 LEU 60 -5.339 -12.042 18.412 482 3HD2 LEU 60 2HD2 LEU 60 -4.313 -11.777 17.002 483 H CYS 61 HN CYS 61 -10.256 -10.311 18.538 484 HA CYS 61 HA CYS 61 -10.269 -8.216 20.517 485 1HB CYS 61 2HB CYS 61 -11.818 -8.101 18.730 486 2HB CYS 61 1HB CYS 61 -12.314 -9.780 18.940 487 H LYS 62 HN LYS 62 -11.008 -11.670 20.596 488 HA LYS 62 HA LYS 62 -12.135 -11.487 23.328 489 1HB LYS 62 2HB LYS 62 -13.048 -12.991 21.550 490 2HB LYS 62 1HB LYS 62 -11.512 -13.858 21.535 491 1HG LYS 62 2HG LYS 62 -11.815 -14.385 23.947 492 2HG LYS 62 1HG LYS 62 -13.380 -13.574 23.909 493 1HD LYS 62 2HD LYS 62 -14.133 -15.165 22.150 494 2HD LYS 62 1HD LYS 62 -12.585 -16.001 22.272 495 1HE LYS 62 2HE LYS 62 -14.011 -15.588 24.847 496 2HE LYS 62 1HE LYS 62 -14.764 -16.734 23.722 497 1HZ LYS 62 2HZ LYS 62 -11.860 -16.737 24.342 498 2HZ LYS 62 1HZ LYS 62 -12.977 -17.690 25.195 499 3HZ LYS 62 3HZ LYS 62 -12.749 -17.936 23.532 500 H GLU 63 HN GLU 63 -9.089 -11.500 21.998 501 HA GLU 63 HA GLU 63 -7.826 -13.297 23.975 502 1HB GLU 63 2HB GLU 63 -7.264 -12.127 21.395 503 2HB GLU 63 1HB GLU 63 -5.938 -11.777 22.504 504 1HG GLU 63 2HG GLU 63 -5.731 -14.146 23.056 505 2HG GLU 63 1HG GLU 63 -7.127 -14.528 22.043 506 HA PRO 64 HA PRO 64 -7.253 -10.062 26.945 507 1HB PRO 64 2HB PRO 64 -4.851 -11.330 27.896 508 2HB PRO 64 1HB PRO 64 -6.459 -11.364 28.624 509 1HG PRO 64 2HG PRO 64 -5.087 -13.497 27.273 510 2HG PRO 64 1HG PRO 64 -6.694 -13.530 28.004 511 1HD PRO 64 2HD PRO 64 -6.027 -13.546 25.196 512 2HD PRO 64 1HD PRO 64 -7.647 -13.567 25.932 513 H ASN 65 HN ASN 65 -4.869 -11.091 24.619 514 HA ASN 65 HA ASN 65 -3.076 -8.798 25.159 515 1HB ASN 65 2HB ASN 65 -3.064 -11.010 23.078 516 2HB ASN 65 1HB ASN 65 -1.735 -9.892 23.386 517 1HD2 ASN 65 1HD2 ASN 65 -1.767 -12.874 23.760 518 2HD2 ASN 65 2HD2 ASN 65 -1.389 -13.131 25.395 519 H ALA 66 HN ALA 66 -5.947 -9.229 23.471 520 HA ALA 66 HA ALA 66 -5.676 -8.112 20.941 521 1HB ALA 66 2HB ALA 66 -7.719 -8.775 22.553 522 2HB ALA 66 3HB ALA 66 -7.952 -7.753 21.135 523 3HB ALA 66 1HB ALA 66 -7.802 -7.023 22.735 524 H GLN 67 HN GLN 67 -5.530 -6.446 24.072 525 HA GLN 67 HA GLN 67 -5.597 -3.755 23.172 526 1HB GLN 67 2HB GLN 67 -4.145 -5.123 25.460 527 2HB GLN 67 1HB GLN 67 -4.349 -3.376 25.329 528 1HG GLN 67 2HG GLN 67 -6.803 -3.667 25.297 529 2HG GLN 67 1HG GLN 67 -6.597 -5.413 25.432 530 1HE2 GLN 67 1HE2 GLN 67 -8.039 -4.121 27.450 531 2HE2 GLN 67 2HE2 GLN 67 -7.123 -4.075 28.878 532 H GLU 68 HN GLU 68 -2.801 -5.963 23.596 533 HA GLU 68 HA GLU 68 -0.908 -3.990 22.546 534 1HB GLU 68 2HB GLU 68 -0.738 -6.958 23.170 535 2HB GLU 68 1HB GLU 68 0.648 -5.933 22.794 536 1HG GLU 68 2HG GLU 68 0.090 -4.493 24.735 537 2HG GLU 68 1HG GLU 68 -1.261 -5.558 25.123 538 H ILE 69 HN ILE 69 -2.477 -6.969 21.360 539 HA ILE 69 HA ILE 69 -1.141 -7.214 18.872 540 HB ILE 69 HB ILE 69 -4.017 -7.792 19.659 541 1HG1 ILE 69 2HG1 ILE 69 -1.565 -9.579 19.661 542 2HG1 ILE 69 1HG1 ILE 69 -2.263 -8.835 21.100 543 1HG2 ILE 69 2HG2 ILE 69 -2.671 -8.015 17.140 544 2HG2 ILE 69 1HG2 ILE 69 -2.960 -9.641 17.761 545 3HG2 ILE 69 3HG2 ILE 69 -4.309 -8.524 17.553 546 1HD1 ILE 69 3HD1 ILE 69 -4.489 -9.972 20.163 547 2HD1 ILE 69 2HD1 ILE 69 -3.325 -11.062 19.408 548 3HD1 ILE 69 1HD1 ILE 69 -3.351 -10.877 21.162 549 H LEU 70 HN LEU 70 -4.107 -5.392 19.687 550 HA LEU 70 HA LEU 70 -4.898 -4.431 17.205 551 1HB LEU 70 2HB LEU 70 -6.120 -3.894 19.189 552 2HB LEU 70 1HB LEU 70 -4.718 -3.123 19.929 553 HG LEU 70 HG LEU 70 -6.574 -1.616 18.867 554 1HD1 LEU 70 2HD1 LEU 70 -4.001 -1.187 19.520 555 2HD1 LEU 70 1HD1 LEU 70 -3.897 -0.895 17.785 556 3HD1 LEU 70 3HD1 LEU 70 -5.002 0.057 18.774 557 1HD2 LEU 70 3HD2 LEU 70 -6.276 -3.100 16.689 558 2HD2 LEU 70 2HD2 LEU 70 -6.611 -1.374 16.558 559 3HD2 LEU 70 1HD2 LEU 70 -4.963 -1.968 16.368 560 H GLN 71 HN GLN 71 -2.574 -2.701 19.339 561 HA GLN 71 HA GLN 71 -1.776 -0.669 17.598 562 1HB GLN 71 2HB GLN 71 -0.102 -2.341 19.502 563 2HB GLN 71 1HB GLN 71 0.348 -0.749 18.893 564 1HG GLN 71 2HG GLN 71 -1.598 0.257 19.961 565 2HG GLN 71 1HG GLN 71 -2.174 -1.329 20.476 566 1HE2 GLN 71 1HE2 GLN 71 -1.887 0.186 22.623 567 2HE2 GLN 71 2HE2 GLN 71 -0.417 -0.059 23.436 568 H ARG 72 HN ARG 72 -0.137 -3.844 17.937 569 HA ARG 72 HA ARG 72 1.737 -3.643 15.878 570 1HB ARG 72 2HB ARG 72 0.014 -5.991 16.742 571 2HB ARG 72 1HB ARG 72 1.496 -6.138 15.797 572 1HG ARG 72 2HG ARG 72 2.723 -4.966 17.644 573 2HG ARG 72 1HG ARG 72 1.238 -5.000 18.597 574 1HD ARG 72 2HD ARG 72 1.222 -7.526 18.306 575 2HD ARG 72 1HD ARG 72 2.849 -7.378 17.613 576 HE ARG 72 HE ARG 72 2.240 -6.214 20.304 577 1HH1 ARG 72 1HH1 ARG 72 3.083 -9.215 19.494 578 2HH1 ARG 72 2HH1 ARG 72 4.712 -9.178 20.083 579 1HH2 ARG 72 1HH2 ARG 72 4.758 -5.738 20.513 580 2HH2 ARG 72 2HH2 ARG 72 5.661 -7.210 20.661 581 H LEU 73 HN LEU 73 -1.598 -4.930 15.560 582 HA LEU 73 HA LEU 73 -1.650 -5.398 12.795 583 1HB LEU 73 2HB LEU 73 -3.789 -4.261 14.626 584 2HB LEU 73 1HB LEU 73 -4.097 -5.027 13.068 585 HG LEU 73 HG LEU 73 -2.916 -6.307 15.545 586 1HD1 LEU 73 1HD1 LEU 73 -5.537 -6.012 14.706 587 2HD1 LEU 73 3HD1 LEU 73 -5.107 -7.610 14.096 588 3HD1 LEU 73 2HD1 LEU 73 -4.956 -7.253 15.816 589 1HD2 LEU 73 2HD2 LEU 73 -2.719 -7.029 12.675 590 2HD2 LEU 73 1HD2 LEU 73 -1.666 -7.465 14.021 591 3HD2 LEU 73 3HD2 LEU 73 -3.177 -8.340 13.763 592 H GLU 74 HN GLU 74 -2.506 -2.354 14.487 593 HA GLU 74 HA GLU 74 -3.141 -0.752 12.275 594 1HB GLU 74 2HB GLU 74 -1.612 -0.065 14.808 595 2HB GLU 74 1HB GLU 74 -2.432 1.104 13.774 596 1HG GLU 74 2HG GLU 74 -4.562 -0.226 14.139 597 2HG GLU 74 1HG GLU 74 -3.688 -1.148 15.362 598 H GLU 75 HN GLU 75 0.106 -1.064 13.796 599 HA GLU 75 HA GLU 75 1.559 0.505 11.959 600 1HB GLU 75 2HB GLU 75 2.312 -0.448 14.147 601 2HB GLU 75 1HB GLU 75 2.412 -2.035 13.384 602 1HG GLU 75 2HG GLU 75 4.033 -1.098 11.735 603 2HG GLU 75 1HG GLU 75 3.983 0.439 12.599 604 H ILE 76 HN ILE 76 1.222 -3.076 11.908 605 HA ILE 76 HA ILE 76 2.508 -3.501 9.410 606 HB ILE 76 HB ILE 76 0.243 -4.982 10.790 607 1HG1 ILE 76 2HG1 ILE 76 2.211 -4.742 12.210 608 2HG1 ILE 76 1HG1 ILE 76 2.121 -6.405 11.627 609 1HG2 ILE 76 1HG2 ILE 76 0.527 -5.602 8.391 610 2HG2 ILE 76 3HG2 ILE 76 2.225 -5.959 8.711 611 3HG2 ILE 76 2HG2 ILE 76 0.963 -6.920 9.480 612 1HD1 ILE 76 1HD1 ILE 76 3.581 -5.252 9.635 613 2HD1 ILE 76 3HD1 ILE 76 4.105 -4.292 11.019 614 3HD1 ILE 76 2HD1 ILE 76 4.298 -6.044 11.038 615 H ALA 77 HN ALA 77 -0.910 -2.854 10.171 616 HA ALA 77 HA ALA 77 -2.072 -3.194 7.628 617 1HB ALA 77 2HB ALA 77 -3.303 -2.726 9.697 618 2HB ALA 77 1HB ALA 77 -2.583 -1.118 9.785 619 3HB ALA 77 3HB ALA 77 -3.711 -1.509 8.488 620 H GLU 78 HN GLU 78 -0.230 -0.455 8.927 621 HA GLU 78 HA GLU 78 -0.676 1.388 6.785 622 1HB GLU 78 2HB GLU 78 0.276 1.851 9.058 623 2HB GLU 78 1HB GLU 78 1.755 1.024 8.568 624 1HG GLU 78 2HG GLU 78 1.990 2.644 6.683 625 2HG GLU 78 1HG GLU 78 0.571 3.504 7.284 626 H ASP 79 HN ASP 79 1.902 -1.045 7.308 627 HA ASP 79 HA ASP 79 2.476 -0.910 4.372 628 1HB ASP 79 2HB ASP 79 4.030 0.363 6.097 629 2HB ASP 79 1HB ASP 79 4.669 -1.254 6.394 630 HA PRO 80 HA PRO 80 2.090 -5.297 4.606 631 1HB PRO 80 2HB PRO 80 4.069 -5.656 2.549 632 2HB PRO 80 1HB PRO 80 2.313 -5.727 2.393 633 1HG PRO 80 2HG PRO 80 4.096 -3.664 1.467 634 2HG PRO 80 1HG PRO 80 2.344 -3.756 1.274 635 1HD PRO 80 2HD PRO 80 3.829 -1.976 2.976 636 2HD PRO 80 1HD PRO 80 2.061 -2.115 2.833 637 H GLY 81 HN GLY 81 5.447 -4.080 4.138 638 1HA GLY 81 1HA GLY 81 6.326 -5.493 6.542 639 2HA GLY 81 2HA GLY 81 7.346 -4.523 5.478 640 H THR 82 HN THR 82 7.440 -7.434 6.596 641 HA THR 82 HA THR 82 8.674 -8.599 4.222 642 HB THR 82 HB THR 82 9.180 -10.414 5.777 643 HG1 THR 82 1HG THR 82 8.164 -10.500 7.770 644 1HG2 THR 82 1HG2 THR 82 9.296 -7.633 6.943 645 2HG2 THR 82 3HG2 THR 82 10.029 -9.017 7.752 646 3HG2 THR 82 2HG2 THR 82 10.585 -8.537 6.149 647 H CYS 83 HN CYS 83 5.565 -8.721 5.783 648 HA CYS 83 HA CYS 83 4.449 -11.147 5.005 649 1HB CYS 83 2HB CYS 83 3.448 -9.197 6.292 650 2HB CYS 83 1HB CYS 83 3.137 -8.425 4.737 651 H GLU 84 HN GLU 84 4.418 -8.153 3.032 652 HA GLU 84 HA GLU 84 3.289 -9.286 0.691 653 1HB GLU 84 2HB GLU 84 3.521 -6.879 1.240 654 2HB GLU 84 1HB GLU 84 5.264 -7.008 1.004 655 1HG GLU 84 2HG GLU 84 4.854 -7.759 -1.341 656 2HG GLU 84 1HG GLU 84 3.126 -7.510 -1.089 657 H ILE 85 HN ILE 85 6.726 -9.097 1.695 658 HA ILE 85 HA ILE 85 7.594 -10.233 -0.884 659 HB ILE 85 HB ILE 85 9.825 -9.933 0.092 660 1HG1 ILE 85 2HG1 ILE 85 8.263 -9.420 2.632 661 2HG1 ILE 85 1HG1 ILE 85 9.460 -10.684 2.350 662 1HG2 ILE 85 3HG2 ILE 85 8.120 -7.945 -0.566 663 2HG2 ILE 85 2HG2 ILE 85 8.432 -7.512 1.115 664 3HG2 ILE 85 1HG2 ILE 85 9.772 -7.641 -0.025 665 1HD1 ILE 85 3HD1 ILE 85 10.915 -8.469 1.726 666 2HD1 ILE 85 2HD1 ILE 85 9.846 -7.813 2.966 667 3HD1 ILE 85 1HD1 ILE 85 10.882 -9.192 3.334 668 H CYS 86 HN CYS 86 6.012 -11.639 1.538 669 HA CYS 86 HA CYS 86 5.901 -13.840 2.390 670 1HB CYS 86 2HB CYS 86 7.405 -14.120 -0.223 671 2HB CYS 86 1HB CYS 86 6.836 -15.508 0.704 672 H ALA 87 HN ALA 87 8.441 -12.077 2.889 673 HA ALA 87 HA ALA 87 10.591 -14.027 3.242 674 1HB ALA 87 3HB ALA 87 10.122 -11.186 4.203 675 2HB ALA 87 2HB ALA 87 11.646 -12.053 4.392 676 3HB ALA 87 1HB ALA 87 11.040 -11.675 2.779 677 H TYR 88 HN TYR 88 7.734 -13.426 4.893 678 HA TYR 88 HA TYR 88 8.760 -14.820 7.315 679 1HB TYR 88 2HB TYR 88 8.901 -12.347 7.638 680 2HB TYR 88 1HB TYR 88 7.169 -12.235 7.323 681 HD1 TYR 88 HD1 TYR 88 9.212 -14.692 9.289 682 HD2 TYR 88 HD2 TYR 88 6.073 -11.760 9.330 683 HE1 TYR 88 HE1 TYR 88 8.745 -15.223 11.667 684 HE2 TYR 88 HE2 TYR 88 5.606 -12.291 11.707 685 HH TYR 88 HH TYR 88 7.722 -14.092 13.635 686 H ALA 89 HN ALA 89 6.887 -15.581 8.679 687 HA ALA 89 HA ALA 89 4.812 -16.766 7.017 688 1HB ALA 89 1HB ALA 89 5.430 -18.122 8.786 689 2HB ALA 89 2HB ALA 89 4.050 -17.314 9.529 690 3HB ALA 89 3HB ALA 89 5.687 -16.758 9.874 691 H ALA 90 HN ALA 90 5.097 -13.664 8.076 692 HA ALA 90 HA ALA 90 2.595 -13.049 9.305 693 1HB ALA 90 2HB ALA 90 4.817 -11.684 7.913 694 2HB ALA 90 3HB ALA 90 4.013 -11.262 9.425 695 3HB ALA 90 1HB ALA 90 3.285 -10.812 7.883 696 H CYS 91 HN CYS 91 3.499 -13.472 5.905 697 HA CYS 91 HA CYS 91 0.708 -12.754 5.095 698 1HB CYS 91 2HB CYS 91 3.352 -12.270 4.088 699 2HB CYS 91 1HB CYS 91 2.441 -13.170 2.879 700 H THR 92 HN THR 92 -0.618 -14.459 4.688 701 HA THR 92 HA THR 92 0.603 -17.109 4.041 702 HB THR 92 HB THR 92 -1.388 -18.014 5.009 703 HG1 THR 92 1HG THR 92 -2.819 -16.588 3.914 704 1HG2 THR 92 2HG2 THR 92 -0.515 -15.501 6.451 705 2HG2 THR 92 1HG2 THR 92 -1.594 -16.698 7.168 706 3HG2 THR 92 3HG2 THR 92 0.052 -17.148 6.723 707 H GLY 93 HN GLY 93 -0.200 -18.290 2.219 708 1HA GLY 93 1HA GLY 93 -2.077 -16.851 0.412 709 2HA GLY 93 2HA GLY 93 -1.683 -18.567 0.312 710 H CYS 94 HN CYS 94 1.107 -16.813 0.909 711 HA CYS 94 HA CYS 94 1.918 -15.612 -1.467 712 1HB CYS 94 2HB CYS 94 3.296 -17.300 0.614 713 2HB CYS 94 1HB CYS 94 4.212 -16.635 -0.738 No H/Q in entry = 713 Start of MODEL 3 1 H1 VAL 1 1H VAL 1 -2.620 -12.288 -0.148 2 H2 VAL 1 3H VAL 1 -1.291 -12.433 -1.191 3 H3 VAL 1 2H VAL 1 -1.524 -13.571 0.049 4 HA VAL 1 HA VAL 1 0.034 -12.293 1.086 5 HB VAL 1 HB VAL 1 0.062 -9.779 0.494 6 1HG1 VAL 1 2HG1 VAL 1 1.628 -11.428 -0.472 7 2HG1 VAL 1 1HG1 VAL 1 0.440 -11.831 -1.710 8 3HG1 VAL 1 3HG1 VAL 1 1.163 -10.223 -1.672 9 1HG2 VAL 1 3HG2 VAL 1 -2.404 -10.254 -0.509 10 2HG2 VAL 1 2HG2 VAL 1 -1.367 -8.957 -1.099 11 3HG2 VAL 1 1HG2 VAL 1 -1.444 -10.489 -1.969 12 H THR 2 HN THR 2 -1.454 -12.913 2.877 13 HA THR 2 HA THR 2 -3.073 -10.585 3.865 14 HB THR 2 HB THR 2 -3.490 -13.547 4.366 15 HG1 THR 2 1HG THR 2 -5.393 -12.825 2.908 16 1HG2 THR 2 1HG2 THR 2 -5.231 -11.110 4.833 17 2HG2 THR 2 3HG2 THR 2 -5.742 -12.780 5.081 18 3HG2 THR 2 2HG2 THR 2 -4.460 -12.093 6.076 19 H VAL 3 HN VAL 3 -2.806 -10.041 6.059 20 HA VAL 3 HA VAL 3 -0.369 -11.091 7.365 21 HB VAL 3 HB VAL 3 -2.360 -8.919 8.100 22 1HG1 VAL 3 3HG1 VAL 3 -0.689 -10.098 9.843 23 2HG1 VAL 3 2HG1 VAL 3 0.444 -8.962 9.111 24 3HG1 VAL 3 1HG1 VAL 3 -1.021 -8.367 9.891 25 1HG2 VAL 3 2HG2 VAL 3 -0.867 -8.811 5.934 26 2HG2 VAL 3 1HG2 VAL 3 -0.970 -7.404 6.992 27 3HG2 VAL 3 3HG2 VAL 3 0.430 -8.474 7.079 28 H GLN 4 HN GLN 4 -0.540 -12.822 8.735 29 HA GLN 4 HA GLN 4 -3.155 -13.253 10.138 30 1HB GLN 4 2HB GLN 4 -2.637 -15.605 10.000 31 2HB GLN 4 1HB GLN 4 -2.332 -14.915 8.407 32 1HG GLN 4 2HG GLN 4 0.044 -14.839 8.814 33 2HG GLN 4 1HG GLN 4 -0.180 -15.258 10.513 34 1HE2 GLN 4 1HE2 GLN 4 1.370 -17.109 9.822 35 2HE2 GLN 4 2HE2 GLN 4 0.661 -18.512 9.181 36 H ASP 5 HN ASP 5 -3.126 -13.500 12.344 37 HA ASP 5 HA ASP 5 -0.484 -13.153 13.724 38 1HB ASP 5 2HB ASP 5 -1.864 -12.171 15.529 39 2HB ASP 5 1HB ASP 5 -2.164 -11.356 13.994 40 H GLY 6 HN GLY 6 -2.251 -15.636 12.830 41 1HA GLY 6 1HA GLY 6 -3.049 -17.016 15.189 42 2HA GLY 6 2HA GLY 6 -1.368 -17.428 14.850 43 H ASN 7 HN ASN 7 -4.157 -18.830 14.538 44 HA ASN 7 HA ASN 7 -3.411 -20.305 12.112 45 1HB ASN 7 2HB ASN 7 -5.732 -20.472 14.061 46 2HB ASN 7 1HB ASN 7 -5.398 -21.663 12.804 47 1HD2 ASN 7 1HD2 ASN 7 -5.357 -22.426 15.550 48 2HD2 ASN 7 2HD2 ASN 7 -3.758 -22.788 15.993 49 H PHE 8 HN PHE 8 -4.914 -17.407 12.508 50 HA PHE 8 HA PHE 8 -6.757 -17.865 10.182 51 1HB PHE 8 2HB PHE 8 -6.966 -15.931 12.515 52 2HB PHE 8 1HB PHE 8 -8.149 -16.103 11.218 53 HD1 PHE 8 HD1 PHE 8 -6.649 -17.716 14.182 54 HD2 PHE 8 HD2 PHE 8 -9.623 -18.033 11.099 55 HE1 PHE 8 HE1 PHE 8 -7.724 -19.584 15.411 56 HE2 PHE 8 HE2 PHE 8 -10.696 -19.901 12.327 57 HZ PHE 8 HZ PHE 8 -9.747 -20.676 14.482 58 H SER 9 HN SER 9 -6.797 -16.158 8.601 59 HA SER 9 HA SER 9 -4.366 -14.421 8.639 60 1HB SER 9 2HB SER 9 -5.020 -16.169 6.812 61 2HB SER 9 1HB SER 9 -6.184 -14.951 6.292 62 HG SER 9 HG SER 9 -3.572 -14.125 6.779 63 H PHE 10 HN PHE 10 -4.605 -12.204 8.692 64 HA PHE 10 HA PHE 10 -7.392 -11.110 8.464 65 1HB PHE 10 2HB PHE 10 -5.052 -10.309 10.225 66 2HB PHE 10 1HB PHE 10 -6.599 -9.463 10.171 67 HD1 PHE 10 HD1 PHE 10 -8.494 -11.724 9.906 68 HD2 PHE 10 HD2 PHE 10 -5.000 -11.305 12.371 69 HE1 PHE 10 HE1 PHE 10 -9.442 -13.343 11.526 70 HE2 PHE 10 HE2 PHE 10 -5.954 -12.924 13.991 71 HZ PHE 10 HZ PHE 10 -8.173 -13.939 13.570 72 H SER 11 HN SER 11 -7.640 -9.457 6.992 73 HA SER 11 HA SER 11 -5.451 -8.704 5.242 74 1HB SER 11 2HB SER 11 -8.246 -7.580 5.640 75 2HB SER 11 1HB SER 11 -7.220 -7.290 4.236 76 HG SER 11 HG SER 11 -7.778 -9.916 5.047 77 H LEU 12 HN LEU 12 -4.912 -6.329 4.874 78 HA LEU 12 HA LEU 12 -4.404 -5.023 7.491 79 1HB LEU 12 2HB LEU 12 -3.420 -4.533 4.662 80 2HB LEU 12 1HB LEU 12 -2.838 -3.670 6.086 81 HG LEU 12 HG LEU 12 -2.318 -6.002 7.060 82 1HD1 LEU 12 3HD1 LEU 12 -3.084 -6.631 4.238 83 2HD1 LEU 12 2HD1 LEU 12 -1.751 -7.535 4.956 84 3HD1 LEU 12 1HD1 LEU 12 -3.347 -7.572 5.706 85 1HD2 LEU 12 3HD2 LEU 12 -0.818 -4.952 4.643 86 2HD2 LEU 12 2HD2 LEU 12 -0.551 -4.493 6.324 87 3HD2 LEU 12 1HD2 LEU 12 -0.170 -6.128 5.787 88 H GLU 13 HN GLU 13 -6.518 -4.742 4.779 89 HA GLU 13 HA GLU 13 -6.980 -1.905 4.771 90 1HB GLU 13 2HB GLU 13 -8.735 -4.279 4.064 91 2HB GLU 13 1HB GLU 13 -9.098 -2.609 3.630 92 1HG GLU 13 2HG GLU 13 -6.930 -2.490 2.409 93 2HG GLU 13 1HG GLU 13 -6.653 -4.191 2.782 94 H SER 14 HN SER 14 -9.269 -4.380 5.972 95 HA SER 14 HA SER 14 -11.001 -2.844 7.445 96 1HB SER 14 2HB SER 14 -9.767 -5.392 8.508 97 2HB SER 14 1HB SER 14 -11.428 -4.835 8.702 98 HG SER 14 HG SER 14 -10.915 -6.481 7.003 99 H VAL 15 HN VAL 15 -7.942 -4.170 8.805 100 HA VAL 15 HA VAL 15 -8.133 -2.888 11.327 101 HB VAL 15 HB VAL 15 -5.652 -3.242 11.336 102 1HG1 VAL 15 1HG1 VAL 15 -7.636 -5.057 11.451 103 2HG1 VAL 15 3HG1 VAL 15 -6.773 -5.678 10.042 104 3HG1 VAL 15 2HG1 VAL 15 -5.934 -5.508 11.585 105 1HG2 VAL 15 2HG2 VAL 15 -6.168 -3.976 8.440 106 2HG2 VAL 15 1HG2 VAL 15 -5.131 -2.678 9.032 107 3HG2 VAL 15 3HG2 VAL 15 -4.684 -4.361 9.312 108 H LYS 16 HN LYS 16 -6.618 -1.752 8.288 109 HA LYS 16 HA LYS 16 -5.601 0.723 9.201 110 1HB LYS 16 2HB LYS 16 -5.322 -0.347 6.942 111 2HB LYS 16 1HB LYS 16 -6.985 0.107 6.567 112 1HG LYS 16 2HG LYS 16 -6.390 2.494 6.974 113 2HG LYS 16 1HG LYS 16 -4.716 2.005 7.241 114 1HD LYS 16 2HD LYS 16 -4.687 1.013 4.947 115 2HD LYS 16 1HD LYS 16 -6.316 1.637 4.691 116 1HE LYS 16 2HE LYS 16 -4.104 3.498 5.562 117 2HE LYS 16 1HE LYS 16 -4.316 3.086 3.850 118 1HZ LYS 16 2HZ LYS 16 -6.774 3.569 4.295 119 2HZ LYS 16 1HZ LYS 16 -6.243 4.368 5.697 120 3HZ LYS 16 3HZ LYS 16 -5.730 4.903 4.172 121 H LYS 17 HN LYS 17 -8.787 0.139 7.653 122 HA LYS 17 HA LYS 17 -9.827 2.734 8.531 123 1HB LYS 17 2HB LYS 17 -11.078 0.284 7.241 124 2HB LYS 17 1HB LYS 17 -11.872 1.851 7.401 125 1HG LYS 17 2HG LYS 17 -10.036 2.888 6.080 126 2HG LYS 17 1HG LYS 17 -9.307 1.294 5.877 127 1HD LYS 17 2HD LYS 17 -11.413 0.513 4.789 128 2HD LYS 17 1HD LYS 17 -12.052 2.152 4.911 129 1HE LYS 17 2HE LYS 17 -9.403 2.203 3.729 130 2HE LYS 17 1HE LYS 17 -10.476 1.127 2.813 131 1HZ LYS 17 1HZ LYS 17 -11.470 3.722 3.801 132 2HZ LYS 17 3HZ LYS 17 -10.559 3.671 2.372 133 3HZ LYS 17 2HZ LYS 17 -12.013 2.801 2.482 134 H LEU 18 HN LEU 18 -9.090 0.206 10.367 135 HA LEU 18 HA LEU 18 -11.501 -0.589 11.690 136 1HB LEU 18 2HB LEU 18 -9.075 -1.520 11.638 137 2HB LEU 18 1HB LEU 18 -8.755 -0.360 12.926 138 HG LEU 18 HG LEU 18 -11.010 -2.375 13.042 139 1HD1 LEU 18 2HD1 LEU 18 -8.099 -2.610 13.667 140 2HD1 LEU 18 1HD1 LEU 18 -9.228 -3.315 14.827 141 3HD1 LEU 18 3HD1 LEU 18 -9.241 -3.852 13.147 142 1HD2 LEU 18 1HD2 LEU 18 -9.718 -0.445 14.969 143 2HD2 LEU 18 3HD2 LEU 18 -11.429 -0.631 14.583 144 3HD2 LEU 18 2HD2 LEU 18 -10.606 -1.853 15.553 145 H LYS 19 HN LYS 19 -9.219 2.087 12.239 146 HA LYS 19 HA LYS 19 -10.110 2.976 14.769 147 1HB LYS 19 2HB LYS 19 -8.125 3.752 13.458 148 2HB LYS 19 1HB LYS 19 -9.216 4.635 12.389 149 1HG LYS 19 2HG LYS 19 -10.042 5.947 14.308 150 2HG LYS 19 1HG LYS 19 -8.965 5.058 15.384 151 1HD LYS 19 2HD LYS 19 -7.022 5.872 14.024 152 2HD LYS 19 1HD LYS 19 -8.142 6.858 13.084 153 1HE LYS 19 2HE LYS 19 -8.216 8.447 14.709 154 2HE LYS 19 1HE LYS 19 -8.510 7.232 15.967 155 1HZ LYS 19 2HZ LYS 19 -5.867 7.277 14.712 156 2HZ LYS 19 1HZ LYS 19 -6.222 8.536 15.796 157 3HZ LYS 19 3HZ LYS 19 -6.295 6.924 16.318 158 H ASP 20 HN ASP 20 -11.287 3.989 11.533 159 HA ASP 20 HA ASP 20 -13.844 4.828 12.851 160 1HB ASP 20 2HB ASP 20 -12.158 6.284 10.792 161 2HB ASP 20 1HB ASP 20 -13.780 6.786 11.267 162 H LEU 21 HN LEU 21 -15.703 4.722 11.418 163 HA LEU 21 HA LEU 21 -15.273 2.924 9.055 164 1HB LEU 21 2HB LEU 21 -17.699 3.319 10.840 165 2HB LEU 21 1HB LEU 21 -17.534 2.109 9.568 166 HG LEU 21 HG LEU 21 -15.444 2.200 11.707 167 1HD1 LEU 21 1HD1 LEU 21 -17.777 2.319 12.777 168 2HD1 LEU 21 3HD1 LEU 21 -18.051 0.719 12.088 169 3HD1 LEU 21 2HD1 LEU 21 -16.758 0.963 13.262 170 1HD2 LEU 21 3HD2 LEU 21 -16.701 0.187 9.860 171 2HD2 LEU 21 2HD2 LEU 21 -14.996 0.580 10.077 172 3HD2 LEU 21 1HD2 LEU 21 -15.846 -0.361 11.303 173 H GLN 22 HN GLN 22 -15.630 3.948 7.125 174 HA GLN 22 HA GLN 22 -17.733 6.078 7.008 175 1HB GLN 22 2HB GLN 22 -14.914 6.150 5.881 176 2HB GLN 22 1HB GLN 22 -16.136 7.396 5.625 177 1HG GLN 22 2HG GLN 22 -16.271 7.718 8.095 178 2HG GLN 22 1HG GLN 22 -14.969 6.545 8.292 179 1HE2 GLN 22 1HE2 GLN 22 -12.832 7.312 8.041 180 2HE2 GLN 22 2HE2 GLN 22 -12.440 8.874 7.507 181 H GLU 23 HN GLU 23 -18.562 6.396 4.790 182 HA GLU 23 HA GLU 23 -19.394 5.521 2.754 183 1HB GLU 23 2HB GLU 23 -16.519 5.353 2.900 184 2HB GLU 23 1HB GLU 23 -17.134 3.999 1.952 185 1HG GLU 23 2HG GLU 23 -18.619 5.818 0.796 186 2HG GLU 23 1HG GLU 23 -17.439 6.952 1.454 187 HA PRO 24 HA PRO 24 -20.825 1.377 3.039 188 1HB PRO 24 2HB PRO 24 -19.608 0.278 0.673 189 2HB PRO 24 1HB PRO 24 -21.271 0.829 0.887 190 1HG PRO 24 2HG PRO 24 -19.148 2.103 -0.588 191 2HG PRO 24 1HG PRO 24 -20.825 2.625 -0.423 192 1HD PRO 24 2HD PRO 24 -18.502 3.834 0.744 193 2HD PRO 24 1HD PRO 24 -20.199 4.301 0.994 194 H GLN 25 HN GLN 25 -20.006 -1.042 2.991 195 HA GLN 25 HA GLN 25 -18.029 -1.528 4.838 196 1HB GLN 25 2HB GLN 25 -18.778 -3.080 2.346 197 2HB GLN 25 1HB GLN 25 -17.819 -3.758 3.662 198 1HG GLN 25 2HG GLN 25 -19.657 -3.281 5.244 199 2HG GLN 25 1HG GLN 25 -20.616 -2.606 3.926 200 1HE2 GLN 25 1HE2 GLN 25 -21.642 -4.812 5.346 201 2HE2 GLN 25 2HE2 GLN 25 -21.607 -6.188 4.353 202 H GLU 26 HN GLU 26 -17.128 -2.475 1.555 203 HA GLU 26 HA GLU 26 -14.572 -0.936 1.874 204 1HB GLU 26 2HB GLU 26 -15.090 -3.795 1.015 205 2HB GLU 26 1HB GLU 26 -13.544 -2.987 0.754 206 1HG GLU 26 2HG GLU 26 -12.979 -3.087 2.959 207 2HG GLU 26 1HG GLU 26 -14.624 -2.746 3.496 208 HA PRO 27 HA PRO 27 -16.686 0.108 -2.138 209 1HB PRO 27 2HB PRO 27 -15.556 2.729 -1.785 210 2HB PRO 27 1HB PRO 27 -17.256 2.258 -1.703 211 1HG PRO 27 2HG PRO 27 -15.549 3.045 0.460 212 2HG PRO 27 1HG PRO 27 -17.233 2.526 0.549 213 1HD PRO 27 2HD PRO 27 -14.866 1.077 1.386 214 2HD PRO 27 1HD PRO 27 -16.569 0.588 1.548 215 H ARG 28 HN ARG 28 -15.549 -0.157 -4.049 216 HA ARG 28 HA ARG 28 -13.644 -0.580 -5.410 217 1HB ARG 28 2HB ARG 28 -14.082 1.879 -5.463 218 2HB ARG 28 1HB ARG 28 -12.950 2.082 -4.126 219 1HG ARG 28 2HG ARG 28 -11.708 2.528 -6.126 220 2HG ARG 28 1HG ARG 28 -11.213 0.923 -5.589 221 1HD ARG 28 2HD ARG 28 -12.868 -0.081 -7.177 222 2HD ARG 28 1HD ARG 28 -13.241 1.550 -7.767 223 HE ARG 28 HE ARG 28 -10.422 1.267 -7.819 224 1HH1 ARG 28 1HH1 ARG 28 -11.959 -1.407 -8.729 225 2HH1 ARG 28 2HH1 ARG 28 -11.724 -1.256 -10.439 226 1HH2 ARG 28 1HH2 ARG 28 -10.655 2.038 -10.271 227 2HH2 ARG 28 2HH2 ARG 28 -10.986 0.693 -11.311 228 H VAL 29 HN VAL 29 -12.749 -2.380 -4.163 229 HA VAL 29 HA VAL 29 -11.210 -2.393 -1.869 230 HB VAL 29 HB VAL 29 -11.741 -4.374 -3.184 231 1HG1 VAL 29 3HG1 VAL 29 -11.306 -2.998 -5.381 232 2HG1 VAL 29 2HG1 VAL 29 -9.662 -3.618 -5.220 233 3HG1 VAL 29 1HG1 VAL 29 -11.015 -4.738 -5.377 234 1HG2 VAL 29 1HG2 VAL 29 -9.510 -4.127 -1.803 235 2HG2 VAL 29 3HG2 VAL 29 -9.762 -5.549 -2.814 236 3HG2 VAL 29 2HG2 VAL 29 -8.749 -4.225 -3.391 237 H GLY 30 HN GLY 30 -9.423 -1.245 -1.257 238 1HA GLY 30 1HA GLY 30 -7.649 0.315 -1.504 239 2HA GLY 30 2HA GLY 30 -7.886 0.263 -3.251 240 H LYS 31 HN LYS 31 -6.475 -0.965 -4.433 241 HA LYS 31 HA LYS 31 -5.251 -3.401 -3.604 242 1HB LYS 31 2HB LYS 31 -4.448 -1.282 -5.622 243 2HB LYS 31 1HB LYS 31 -3.759 -2.904 -5.562 244 1HG LYS 31 2HG LYS 31 -6.057 -3.844 -5.847 245 2HG LYS 31 1HG LYS 31 -6.674 -2.201 -6.024 246 1HD LYS 31 2HD LYS 31 -5.109 -1.879 -7.954 247 2HD LYS 31 1HD LYS 31 -4.646 -3.574 -7.815 248 1HE LYS 31 2HE LYS 31 -6.846 -4.324 -8.391 249 2HE LYS 31 1HE LYS 31 -7.530 -2.702 -8.170 250 1HZ LYS 31 2HZ LYS 31 -5.274 -3.017 -10.016 251 2HZ LYS 31 1HZ LYS 31 -6.796 -3.561 -10.540 252 3HZ LYS 31 3HZ LYS 31 -6.585 -1.939 -10.088 253 H LEU 32 HN LEU 32 -4.303 -0.037 -3.125 254 HA LEU 32 HA LEU 32 -1.757 -0.965 -1.842 255 1HB LEU 32 2HB LEU 32 -2.590 1.748 -2.917 256 2HB LEU 32 1HB LEU 32 -0.982 1.314 -2.336 257 HG LEU 32 HG LEU 32 -2.422 0.110 -4.720 258 1HD1 LEU 32 2HD1 LEU 32 -1.166 2.471 -4.689 259 2HD1 LEU 32 1HD1 LEU 32 0.252 1.436 -4.854 260 3HD1 LEU 32 3HD1 LEU 32 -1.030 1.372 -6.062 261 1HD2 LEU 32 1HD2 LEU 32 -0.067 -0.742 -3.125 262 2HD2 LEU 32 3HD2 LEU 32 -1.173 -1.709 -4.101 263 3HD2 LEU 32 2HD2 LEU 32 0.125 -0.801 -4.876 264 H ARG 33 HN ARG 33 -1.475 -0.570 0.323 265 HA ARG 33 HA ARG 33 -3.504 1.146 1.721 266 1HB ARG 33 2HB ARG 33 -2.045 -1.257 2.854 267 2HB ARG 33 1HB ARG 33 -3.495 -0.478 3.488 268 1HG ARG 33 2HG ARG 33 -4.799 -1.235 1.584 269 2HG ARG 33 1HG ARG 33 -3.353 -1.871 0.796 270 1HD ARG 33 2HD ARG 33 -3.060 -3.371 2.858 271 2HD ARG 33 1HD ARG 33 -4.712 -2.900 3.303 272 HE ARG 33 HE ARG 33 -5.490 -3.889 1.188 273 1HH1 ARG 33 1HH1 ARG 33 -4.029 -6.160 2.461 274 2HH1 ARG 33 2HH1 ARG 33 -2.996 -6.700 1.180 275 1HH2 ARG 33 1HH2 ARG 33 -3.356 -3.804 -0.689 276 2HH2 ARG 33 2HH2 ARG 33 -2.616 -5.367 -0.601 277 H ASN 34 HN ASN 34 -2.601 2.748 3.053 278 HA ASN 34 HA ASN 34 0.174 2.465 4.011 279 1HB ASN 34 2HB ASN 34 0.137 3.271 1.577 280 2HB ASN 34 1HB ASN 34 -0.554 4.769 2.202 281 1HD2 ASN 34 1HD2 ASN 34 1.821 5.241 1.067 282 2HD2 ASN 34 2HD2 ASN 34 3.078 5.372 2.198 283 H PHE 35 HN PHE 35 -2.008 5.213 3.367 284 HA PHE 35 HA PHE 35 -1.426 6.645 5.738 285 1HB PHE 35 2HB PHE 35 -2.915 6.976 3.458 286 2HB PHE 35 1HB PHE 35 -4.173 6.860 4.689 287 HD1 PHE 35 HD1 PHE 35 -3.625 8.222 6.931 288 HD2 PHE 35 HD2 PHE 35 -1.985 9.073 3.053 289 HE1 PHE 35 HE1 PHE 35 -3.137 10.545 7.648 290 HE2 PHE 35 HE2 PHE 35 -1.497 11.397 3.771 291 HZ PHE 35 HZ PHE 35 -2.073 12.133 6.067 292 H ALA 36 HN ALA 36 -1.482 4.559 7.188 293 HA ALA 36 HA ALA 36 -4.139 3.635 8.018 294 1HB ALA 36 3HB ALA 36 -1.496 2.742 8.130 295 2HB ALA 36 2HB ALA 36 -1.887 3.114 9.809 296 3HB ALA 36 1HB ALA 36 -2.878 1.969 8.907 297 HA PRO 37 HA PRO 37 -4.991 6.552 11.193 298 1HB PRO 37 2HB PRO 37 -5.589 4.588 13.208 299 2HB PRO 37 1HB PRO 37 -6.720 5.488 12.195 300 1HG PRO 37 2HG PRO 37 -6.082 2.708 12.041 301 2HG PRO 37 1HG PRO 37 -7.148 3.627 10.978 302 1HD PRO 37 2HD PRO 37 -4.491 2.581 10.407 303 2HD PRO 37 1HD PRO 37 -5.623 3.388 9.296 304 H ILE 38 HN ILE 38 -2.417 4.385 11.433 305 HA ILE 38 HA ILE 38 -0.385 4.567 12.635 306 HB ILE 38 HB ILE 38 -1.689 6.899 14.053 307 1HG1 ILE 38 2HG1 ILE 38 -0.080 7.406 11.617 308 2HG1 ILE 38 1HG1 ILE 38 -1.677 6.714 11.336 309 1HG2 ILE 38 3HG2 ILE 38 1.070 5.871 13.599 310 2HG2 ILE 38 2HG2 ILE 38 0.855 7.621 13.595 311 3HG2 ILE 38 1HG2 ILE 38 0.390 6.678 15.012 312 1HD1 ILE 38 1HD1 ILE 38 -2.635 8.510 12.818 313 2HD1 ILE 38 3HD1 ILE 38 -1.034 9.247 12.870 314 3HD1 ILE 38 2HD1 ILE 38 -1.898 9.126 11.338 315 HA PRO 39 HA PRO 39 -1.861 2.068 16.038 316 1HB PRO 39 2HB PRO 39 0.881 1.688 16.820 317 2HB PRO 39 1HB PRO 39 -0.178 0.553 15.979 318 1HG PRO 39 2HG PRO 39 2.054 2.003 14.907 319 2HG PRO 39 1HG PRO 39 0.987 0.880 14.062 320 1HD PRO 39 2HD PRO 39 1.109 3.755 13.795 321 2HD PRO 39 1HD PRO 39 0.047 2.619 12.930 322 H GLY 40 HN GLY 40 -1.023 1.990 18.508 323 1HA GLY 40 1HA GLY 40 -0.261 4.734 19.383 324 2HA GLY 40 2HA GLY 40 -0.116 3.280 20.371 325 H GLU 41 HN GLU 41 -2.949 2.654 19.105 326 HA GLU 41 HA GLU 41 -4.448 4.182 21.204 327 1HB GLU 41 2HB GLU 41 -6.285 4.324 19.473 328 2HB GLU 41 1HB GLU 41 -4.834 5.234 19.053 329 1HG GLU 41 2HG GLU 41 -4.410 3.926 17.253 330 2HG GLU 41 1HG GLU 41 -4.738 2.444 18.152 331 HA PRO 42 HA PRO 42 -5.017 -0.496 21.297 332 1HB PRO 42 2HB PRO 42 -4.706 -0.266 24.148 333 2HB PRO 42 1HB PRO 42 -3.634 -1.068 22.998 334 1HG PRO 42 2HG PRO 42 -3.179 1.388 24.411 335 2HG PRO 42 1HG PRO 42 -2.115 0.594 23.247 336 1HD PRO 42 2HD PRO 42 -3.657 3.015 22.884 337 2HD PRO 42 1HD PRO 42 -2.565 2.228 21.721 338 H VAL 43 HN VAL 43 -7.096 -1.263 21.584 339 HA VAL 43 HA VAL 43 -8.865 -0.543 23.710 340 HB VAL 43 HB VAL 43 -8.833 1.659 22.716 341 1HG1 VAL 43 2HG1 VAL 43 -8.296 0.288 20.361 342 2HG1 VAL 43 1HG1 VAL 43 -9.917 0.931 20.095 343 3HG1 VAL 43 3HG1 VAL 43 -8.591 2.022 20.495 344 1HG2 VAL 43 2HG2 VAL 43 -11.249 -0.039 22.388 345 2HG2 VAL 43 1HG2 VAL 43 -11.035 1.446 23.314 346 3HG2 VAL 43 3HG2 VAL 43 -11.281 1.522 21.569 347 H VAL 44 HN VAL 44 -9.246 -2.840 23.517 348 HA VAL 44 HA VAL 44 -11.042 -3.563 21.230 349 HB VAL 44 HB VAL 44 -8.614 -4.366 21.094 350 1HG1 VAL 44 2HG1 VAL 44 -9.171 -5.130 23.748 351 2HG1 VAL 44 1HG1 VAL 44 -9.073 -6.636 22.832 352 3HG1 VAL 44 3HG1 VAL 44 -7.720 -5.504 22.820 353 1HG2 VAL 44 3HG2 VAL 44 -11.074 -6.047 20.955 354 2HG2 VAL 44 2HG2 VAL 44 -9.945 -5.599 19.676 355 3HG2 VAL 44 1HG2 VAL 44 -9.522 -6.874 20.819 356 HA PRO 45 HA PRO 45 -12.746 -4.405 25.561 357 1HB PRO 45 2HB PRO 45 -15.196 -3.261 24.576 358 2HB PRO 45 1HB PRO 45 -14.132 -2.634 25.838 359 1HG PRO 45 2HG PRO 45 -14.504 -1.626 23.166 360 2HG PRO 45 1HG PRO 45 -13.471 -0.976 24.440 361 1HD PRO 45 2HD PRO 45 -12.652 -2.332 22.039 362 2HD PRO 45 1HD PRO 45 -11.613 -1.734 23.354 363 H ILE 46 HN ILE 46 -14.504 -5.962 25.988 364 HA ILE 46 HA ILE 46 -14.683 -8.167 24.296 365 HB ILE 46 HB ILE 46 -16.735 -7.010 26.212 366 1HG1 ILE 46 2HG1 ILE 46 -14.558 -9.085 26.622 367 2HG1 ILE 46 1HG1 ILE 46 -14.462 -7.406 27.154 368 1HG2 ILE 46 2HG2 ILE 46 -16.449 -9.737 24.937 369 2HG2 ILE 46 1HG2 ILE 46 -17.362 -9.484 26.425 370 3HG2 ILE 46 3HG2 ILE 46 -17.861 -8.682 24.936 371 1HD1 ILE 46 2HD1 ILE 46 -16.519 -7.759 28.521 372 2HD1 ILE 46 1HD1 ILE 46 -16.513 -9.457 28.045 373 3HD1 ILE 46 3HD1 ILE 46 -15.192 -8.809 29.019 374 H LEU 47 HN LEU 47 -16.667 -5.226 24.251 375 HA LEU 47 HA LEU 47 -18.422 -6.272 22.126 376 1HB LEU 47 2HB LEU 47 -18.112 -3.602 23.538 377 2HB LEU 47 1HB LEU 47 -19.367 -3.937 22.346 378 HG LEU 47 HG LEU 47 -20.365 -4.347 24.482 379 1HD1 LEU 47 2HD1 LEU 47 -20.497 -6.165 22.606 380 2HD1 LEU 47 1HD1 LEU 47 -19.488 -7.117 23.695 381 3HD1 LEU 47 3HD1 LEU 47 -21.080 -6.568 24.221 382 1HD2 LEU 47 1HD2 LEU 47 -17.981 -4.575 25.538 383 2HD2 LEU 47 3HD2 LEU 47 -19.326 -5.448 26.272 384 3HD2 LEU 47 2HD2 LEU 47 -18.195 -6.297 25.219 385 H CYS 48 HN CYS 48 -15.312 -5.122 22.163 386 HA CYS 48 HA CYS 48 -13.894 -4.278 20.480 387 1HB CYS 48 2HB CYS 48 -16.323 -5.126 18.873 388 2HB CYS 48 1HB CYS 48 -14.772 -4.691 18.157 389 H SER 49 HN SER 49 -13.454 -2.168 19.987 390 HA SER 49 HA SER 49 -15.299 -0.055 20.456 391 1HB SER 49 2HB SER 49 -12.754 -0.153 18.813 392 2HB SER 49 1HB SER 49 -13.495 1.312 19.456 393 HG SER 49 HG SER 49 -13.088 0.623 21.507 394 H ASN 50 HN ASN 50 -13.930 -1.056 17.302 395 HA ASN 50 HA ASN 50 -15.949 0.464 15.837 396 1HB ASN 50 2HB ASN 50 -13.392 -0.672 15.425 397 2HB ASN 50 1HB ASN 50 -14.470 -1.472 14.281 398 1HD2 ASN 50 1HD2 ASN 50 -14.743 1.887 15.516 399 2HD2 ASN 50 2HD2 ASN 50 -14.560 2.625 13.999 400 HA PRO 51 HA PRO 51 -18.866 -2.967 16.199 401 1HB PRO 51 2HB PRO 51 -20.599 -1.458 14.468 402 2HB PRO 51 1HB PRO 51 -20.748 -1.702 16.210 403 1HG PRO 51 2HG PRO 51 -19.998 0.697 14.820 404 2HG PRO 51 1HG PRO 51 -20.144 0.453 16.562 405 1HD PRO 51 2HD PRO 51 -17.727 0.777 15.018 406 2HD PRO 51 1HD PRO 51 -17.877 0.528 16.772 407 H ASN 52 HN ASN 52 -17.174 -1.702 13.540 408 HA ASN 52 HA ASN 52 -18.022 -4.024 11.854 409 1HB ASN 52 2HB ASN 52 -17.655 -1.115 11.077 410 2HB ASN 52 1HB ASN 52 -17.878 -2.421 9.915 411 1HD2 ASN 52 1HD2 ASN 52 -19.786 -0.302 10.113 412 2HD2 ASN 52 2HD2 ASN 52 -21.235 -0.933 10.732 413 H PHE 53 HN PHE 53 -15.692 -3.858 13.546 414 HA PHE 53 HA PHE 53 -13.387 -3.118 11.884 415 1HB PHE 53 2HB PHE 53 -12.185 -3.542 13.846 416 2HB PHE 53 1HB PHE 53 -13.777 -3.191 14.513 417 HD1 PHE 53 HD1 PHE 53 -15.374 -5.501 14.212 418 HD2 PHE 53 HD2 PHE 53 -11.146 -5.308 14.962 419 HE1 PHE 53 HE1 PHE 53 -15.451 -7.756 15.236 420 HE2 PHE 53 HE2 PHE 53 -11.226 -7.573 15.988 421 HZ PHE 53 HZ PHE 53 -13.380 -8.789 16.120 422 HA PRO 54 HA PRO 54 -12.496 -6.928 9.897 423 1HB PRO 54 2HB PRO 54 -10.134 -7.689 11.362 424 2HB PRO 54 1HB PRO 54 -10.230 -6.939 9.767 425 1HG PRO 54 2HG PRO 54 -9.399 -5.735 12.249 426 2HG PRO 54 1HG PRO 54 -9.457 -4.997 10.646 427 1HD PRO 54 2HD PRO 54 -11.183 -4.467 12.879 428 2HD PRO 54 1HD PRO 54 -11.293 -3.778 11.243 429 H GLU 55 HN GLU 55 -14.451 -7.632 11.235 430 HA GLU 55 HA GLU 55 -14.593 -8.913 13.640 431 1HB GLU 55 2HB GLU 55 -16.400 -8.636 11.962 432 2HB GLU 55 1HB GLU 55 -15.700 -9.955 11.016 433 1HG GLU 55 2HG GLU 55 -15.975 -11.461 12.990 434 2HG GLU 55 1HG GLU 55 -16.779 -10.143 13.845 435 H GLU 56 HN GLU 56 -12.919 -10.147 10.785 436 HA GLU 56 HA GLU 56 -12.554 -12.854 11.485 437 1HB GLU 56 2HB GLU 56 -10.581 -10.861 10.305 438 2HB GLU 56 1HB GLU 56 -10.454 -12.615 10.171 439 1HG GLU 56 2HG GLU 56 -12.661 -12.658 9.018 440 2HG GLU 56 1HG GLU 56 -12.709 -10.896 9.091 441 H LEU 57 HN LEU 57 -11.402 -9.967 12.995 442 HA LEU 57 HA LEU 57 -9.276 -11.295 14.558 443 1HB LEU 57 2HB LEU 57 -10.501 -8.516 14.651 444 2HB LEU 57 1HB LEU 57 -9.020 -9.007 15.472 445 HG LEU 57 HG LEU 57 -9.488 -9.003 12.475 446 1HD1 LEU 57 3HD1 LEU 57 -9.047 -6.807 13.830 447 2HD1 LEU 57 2HD1 LEU 57 -7.403 -7.430 13.970 448 3HD1 LEU 57 1HD1 LEU 57 -8.096 -7.119 12.378 449 1HD2 LEU 57 1HD2 LEU 57 -7.185 -9.937 14.194 450 2HD2 LEU 57 3HD2 LEU 57 -8.049 -10.841 12.951 451 3HD2 LEU 57 2HD2 LEU 57 -6.977 -9.517 12.494 452 H LYS 58 HN LYS 58 -12.488 -11.574 14.700 453 HA LYS 58 HA LYS 58 -13.590 -10.831 17.091 454 1HB LYS 58 2HB LYS 58 -13.988 -12.788 15.135 455 2HB LYS 58 1HB LYS 58 -13.907 -13.698 16.644 456 1HG LYS 58 2HG LYS 58 -15.612 -12.210 17.634 457 2HG LYS 58 1HG LYS 58 -15.692 -11.299 16.126 458 1HD LYS 58 2HD LYS 58 -17.522 -12.918 16.193 459 2HD LYS 58 1HD LYS 58 -16.370 -13.389 14.943 460 1HE LYS 58 2HE LYS 58 -15.738 -14.511 17.594 461 2HE LYS 58 1HE LYS 58 -17.281 -15.074 16.926 462 1HZ LYS 58 2HZ LYS 58 -14.775 -14.927 15.337 463 2HZ LYS 58 1HZ LYS 58 -15.260 -16.334 16.157 464 3HZ LYS 58 3HZ LYS 58 -16.227 -15.703 14.915 465 HA PRO 59 HA PRO 59 -11.327 -14.545 19.343 466 1HB PRO 59 2HB PRO 59 -8.813 -14.789 17.954 467 2HB PRO 59 1HB PRO 59 -10.062 -16.018 18.174 468 1HG PRO 59 2HG PRO 59 -9.404 -14.525 15.780 469 2HG PRO 59 1HG PRO 59 -10.560 -15.846 15.965 470 1HD PRO 59 2HD PRO 59 -11.164 -13.104 15.525 471 2HD PRO 59 1HD PRO 59 -12.321 -14.387 15.938 472 H LEU 60 HN LEU 60 -9.321 -12.069 17.666 473 HA LEU 60 HA LEU 60 -7.518 -11.541 19.785 474 1HB LEU 60 2HB LEU 60 -8.670 -10.035 17.454 475 2HB LEU 60 1HB LEU 60 -7.617 -9.188 18.590 476 HG LEU 60 HG LEU 60 -6.015 -11.212 18.261 477 1HD1 LEU 60 1HD1 LEU 60 -7.798 -11.439 15.815 478 2HD1 LEU 60 3HD1 LEU 60 -6.258 -12.272 16.022 479 3HD1 LEU 60 2HD1 LEU 60 -7.615 -12.651 17.082 480 1HD2 LEU 60 1HD2 LEU 60 -6.549 -9.228 16.028 481 2HD2 LEU 60 3HD2 LEU 60 -5.529 -8.951 17.441 482 3HD2 LEU 60 2HD2 LEU 60 -5.055 -10.143 16.230 483 H CYS 61 HN CYS 61 -10.744 -10.126 19.108 484 HA CYS 61 HA CYS 61 -10.738 -8.222 21.239 485 1HB CYS 61 2HB CYS 61 -12.296 -8.676 19.160 486 2HB CYS 61 1HB CYS 61 -13.193 -9.683 20.298 487 H LYS 62 HN LYS 62 -11.347 -11.686 21.164 488 HA LYS 62 HA LYS 62 -12.484 -11.696 23.891 489 1HB LYS 62 2HB LYS 62 -11.823 -13.823 21.834 490 2HB LYS 62 1HB LYS 62 -12.588 -14.166 23.385 491 1HG LYS 62 2HG LYS 62 -14.399 -12.530 22.775 492 2HG LYS 62 1HG LYS 62 -13.672 -12.399 21.174 493 1HD LYS 62 2HD LYS 62 -13.925 -14.879 20.915 494 2HD LYS 62 1HD LYS 62 -14.785 -14.912 22.454 495 1HE LYS 62 2HE LYS 62 -16.007 -12.858 20.936 496 2HE LYS 62 1HE LYS 62 -15.816 -14.240 19.840 497 1HZ LYS 62 1HZ LYS 62 -16.658 -14.742 22.607 498 2HZ LYS 62 3HZ LYS 62 -17.814 -14.128 21.527 499 3HZ LYS 62 2HZ LYS 62 -17.038 -15.602 21.191 500 H GLU 63 HN GLU 63 -9.362 -11.627 22.598 501 HA GLU 63 HA GLU 63 -8.269 -13.194 24.907 502 1HB GLU 63 2HB GLU 63 -6.479 -13.775 23.491 503 2HB GLU 63 1HB GLU 63 -7.855 -13.761 22.387 504 1HG GLU 63 2HG GLU 63 -7.291 -11.480 21.681 505 2HG GLU 63 1HG GLU 63 -5.950 -11.440 22.824 506 HA PRO 64 HA PRO 64 -6.817 -9.397 26.626 507 1HB PRO 64 2HB PRO 64 -4.545 -10.720 27.790 508 2HB PRO 64 1HB PRO 64 -6.055 -10.256 28.577 509 1HG PRO 64 2HG PRO 64 -5.163 -12.896 27.915 510 2HG PRO 64 1HG PRO 64 -6.693 -12.430 28.661 511 1HD PRO 64 2HD PRO 64 -6.233 -13.382 25.960 512 2HD PRO 64 1HD PRO 64 -7.783 -12.981 26.736 513 H ASN 65 HN ASN 65 -4.978 -11.362 24.461 514 HA ASN 65 HA ASN 65 -2.616 -9.642 24.350 515 1HB ASN 65 2HB ASN 65 -3.691 -11.809 22.516 516 2HB ASN 65 1HB ASN 65 -2.055 -11.150 22.465 517 1HD2 ASN 65 1HD2 ASN 65 -2.588 -13.942 23.016 518 2HD2 ASN 65 2HD2 ASN 65 -2.104 -14.258 24.612 519 H ALA 66 HN ALA 66 -5.770 -9.589 22.915 520 HA ALA 66 HA ALA 66 -5.352 -8.397 20.407 521 1HB ALA 66 2HB ALA 66 -7.437 -8.691 22.381 522 2HB ALA 66 3HB ALA 66 -7.595 -8.510 20.634 523 3HB ALA 66 1HB ALA 66 -7.523 -7.082 21.664 524 H GLN 67 HN GLN 67 -5.257 -6.901 23.636 525 HA GLN 67 HA GLN 67 -5.150 -4.172 22.900 526 1HB GLN 67 2HB GLN 67 -3.765 -5.741 25.100 527 2HB GLN 67 1HB GLN 67 -3.889 -3.982 25.073 528 1HG GLN 67 2HG GLN 67 -6.351 -4.154 25.046 529 2HG GLN 67 1HG GLN 67 -6.230 -5.914 25.070 530 1HE2 GLN 67 1HE2 GLN 67 -7.596 -4.744 27.188 531 2HE2 GLN 67 2HE2 GLN 67 -6.660 -4.805 28.603 532 H GLU 68 HN GLU 68 -2.513 -6.569 23.162 533 HA GLU 68 HA GLU 68 -0.481 -4.669 22.247 534 1HB GLU 68 2HB GLU 68 -0.065 -6.525 23.846 535 2HB GLU 68 1HB GLU 68 -0.480 -7.688 22.586 536 1HG GLU 68 2HG GLU 68 1.365 -6.738 21.182 537 2HG GLU 68 1HG GLU 68 1.825 -5.718 22.545 538 H ILE 69 HN ILE 69 -2.387 -7.326 20.861 539 HA ILE 69 HA ILE 69 -1.041 -7.452 18.320 540 HB ILE 69 HB ILE 69 -3.894 -8.095 19.146 541 1HG1 ILE 69 2HG1 ILE 69 -1.460 -9.894 18.971 542 2HG1 ILE 69 1HG1 ILE 69 -2.095 -9.227 20.474 543 1HG2 ILE 69 1HG2 ILE 69 -2.257 -8.672 16.689 544 2HG2 ILE 69 3HG2 ILE 69 -3.498 -9.814 17.206 545 3HG2 ILE 69 2HG2 ILE 69 -3.939 -8.154 16.807 546 1HD1 ILE 69 1HD1 ILE 69 -4.246 -10.425 18.974 547 2HD1 ILE 69 3HD1 ILE 69 -2.932 -11.590 19.148 548 3HD1 ILE 69 2HD1 ILE 69 -3.652 -10.851 20.579 549 H LEU 70 HN LEU 70 -4.078 -5.834 19.314 550 HA LEU 70 HA LEU 70 -4.918 -4.624 16.987 551 1HB LEU 70 2HB LEU 70 -6.104 -4.327 19.036 552 2HB LEU 70 1HB LEU 70 -4.703 -3.616 19.831 553 HG LEU 70 HG LEU 70 -6.677 -2.089 18.918 554 1HD1 LEU 70 1HD1 LEU 70 -4.140 -1.649 19.787 555 2HD1 LEU 70 3HD1 LEU 70 -4.032 -0.995 18.152 556 3HD1 LEU 70 2HD1 LEU 70 -5.231 -0.360 19.279 557 1HD2 LEU 70 2HD2 LEU 70 -6.028 -3.205 16.556 558 2HD2 LEU 70 1HD2 LEU 70 -6.640 -1.555 16.684 559 3HD2 LEU 70 3HD2 LEU 70 -4.907 -1.842 16.539 560 H GLN 71 HN GLN 71 -2.680 -2.933 19.242 561 HA GLN 71 HA GLN 71 -1.940 -0.795 17.608 562 1HB GLN 71 2HB GLN 71 -0.233 -2.477 19.472 563 2HB GLN 71 1HB GLN 71 0.182 -0.854 18.924 564 1HG GLN 71 2HG GLN 71 -1.969 -0.032 19.924 565 2HG GLN 71 1HG GLN 71 -2.233 -1.647 20.581 566 1HE2 GLN 71 1HE2 GLN 71 -1.093 -2.214 22.491 567 2HE2 GLN 71 2HE2 GLN 71 0.025 -1.193 23.258 568 H ARG 72 HN ARG 72 -0.261 -3.967 17.771 569 HA ARG 72 HA ARG 72 1.654 -3.517 15.748 570 1HB ARG 72 2HB ARG 72 0.147 -5.997 16.628 571 2HB ARG 72 1HB ARG 72 1.566 -6.042 15.581 572 1HG ARG 72 2HG ARG 72 2.809 -4.756 17.366 573 2HG ARG 72 1HG ARG 72 1.415 -4.990 18.418 574 1HD ARG 72 2HD ARG 72 1.655 -7.475 18.082 575 2HD ARG 72 1HD ARG 72 3.159 -7.158 17.195 576 HE ARG 72 HE ARG 72 2.723 -6.264 20.028 577 1HH1 ARG 72 1HH1 ARG 72 5.044 -5.434 18.084 578 2HH1 ARG 72 2HH1 ARG 72 6.321 -6.409 18.732 579 1HH2 ARG 72 1HH2 ARG 72 4.200 -8.411 20.606 580 2HH2 ARG 72 2HH2 ARG 72 5.843 -8.094 20.159 581 H LEU 73 HN LEU 73 -1.546 -5.118 15.366 582 HA LEU 73 HA LEU 73 -1.556 -5.526 12.609 583 1HB LEU 73 2HB LEU 73 -3.591 -4.860 14.695 584 2HB LEU 73 1HB LEU 73 -4.110 -4.829 13.012 585 HG LEU 73 HG LEU 73 -4.486 -7.063 13.909 586 1HD1 LEU 73 3HD1 LEU 73 -3.401 -6.618 11.558 587 2HD1 LEU 73 2HD1 LEU 73 -1.975 -7.364 12.282 588 3HD1 LEU 73 1HD1 LEU 73 -3.484 -8.270 12.175 589 1HD2 LEU 73 1HD2 LEU 73 -1.532 -6.982 14.598 590 2HD2 LEU 73 3HD2 LEU 73 -2.870 -6.998 15.748 591 3HD2 LEU 73 2HD2 LEU 73 -2.562 -8.407 14.734 592 H GLU 74 HN GLU 74 -2.675 -2.542 14.272 593 HA GLU 74 HA GLU 74 -3.271 -0.989 12.005 594 1HB GLU 74 2HB GLU 74 -1.954 -0.141 14.607 595 2HB GLU 74 1HB GLU 74 -2.872 0.907 13.527 596 1HG GLU 74 2HG GLU 74 -4.819 -0.727 13.838 597 2HG GLU 74 1HG GLU 74 -3.889 -1.418 15.167 598 H GLU 75 HN GLU 75 -0.116 -1.216 13.728 599 HA GLU 75 HA GLU 75 1.395 0.496 12.085 600 1HB GLU 75 2HB GLU 75 2.071 -0.603 14.228 601 2HB GLU 75 1HB GLU 75 2.216 -2.134 13.365 602 1HG GLU 75 2HG GLU 75 3.894 -1.070 11.848 603 2HG GLU 75 1HG GLU 75 3.804 0.394 12.828 604 H ILE 76 HN ILE 76 1.075 -3.071 11.754 605 HA ILE 76 HA ILE 76 2.483 -3.336 9.309 606 HB ILE 76 HB ILE 76 0.070 -4.846 10.375 607 1HG1 ILE 76 2HG1 ILE 76 1.882 -4.787 12.003 608 2HG1 ILE 76 1HG1 ILE 76 1.831 -6.389 11.268 609 1HG2 ILE 76 1HG2 ILE 76 1.753 -5.162 7.997 610 2HG2 ILE 76 3HG2 ILE 76 1.722 -6.608 9.007 611 3HG2 ILE 76 2HG2 ILE 76 0.215 -5.930 8.391 612 1HD1 ILE 76 1HD1 ILE 76 3.614 -5.676 9.676 613 2HD1 ILE 76 3HD1 ILE 76 3.702 -4.124 10.511 614 3HD1 ILE 76 2HD1 ILE 76 4.147 -5.607 11.356 615 H ALA 77 HN ALA 77 -0.869 -2.423 9.973 616 HA ALA 77 HA ALA 77 -1.937 -2.542 7.342 617 1HB ALA 77 3HB ALA 77 -2.783 -1.838 9.851 618 2HB ALA 77 1HB ALA 77 -3.719 -1.546 8.385 619 3HB ALA 77 2HB ALA 77 -2.720 -0.261 9.064 620 H GLU 78 HN GLU 78 0.098 -0.139 8.946 621 HA GLU 78 HA GLU 78 -0.143 2.005 7.087 622 1HB GLU 78 2HB GLU 78 2.173 1.029 8.792 623 2HB GLU 78 1HB GLU 78 2.093 2.622 8.038 624 1HG GLU 78 2HG GLU 78 -0.022 3.065 9.280 625 2HG GLU 78 1HG GLU 78 0.152 1.507 10.086 626 H ASP 79 HN ASP 79 2.073 -0.806 7.137 627 HA ASP 79 HA ASP 79 2.476 -0.458 4.206 628 1HB ASP 79 2HB ASP 79 4.293 0.340 6.265 629 2HB ASP 79 1HB ASP 79 4.992 -1.054 5.442 630 HA PRO 80 HA PRO 80 2.229 -4.844 4.139 631 1HB PRO 80 2HB PRO 80 4.343 -5.101 2.206 632 2HB PRO 80 1HB PRO 80 2.601 -5.154 1.928 633 1HG PRO 80 2HG PRO 80 4.445 -3.057 1.230 634 2HG PRO 80 1HG PRO 80 2.707 -3.122 0.927 635 1HD PRO 80 2HD PRO 80 4.102 -1.459 2.819 636 2HD PRO 80 1HD PRO 80 2.347 -1.557 2.546 637 H GLY 81 HN GLY 81 5.638 -3.710 3.867 638 1HA GLY 81 1HA GLY 81 6.347 -5.186 6.296 639 2HA GLY 81 2HA GLY 81 7.445 -4.216 5.313 640 H THR 82 HN THR 82 7.468 -7.130 6.359 641 HA THR 82 HA THR 82 8.716 -8.266 3.966 642 HB THR 82 HB THR 82 9.286 -10.066 5.518 643 HG1 THR 82 1HG THR 82 8.347 -9.637 7.750 644 1HG2 THR 82 3HG2 THR 82 9.678 -7.246 6.122 645 2HG2 THR 82 2HG2 THR 82 9.749 -8.239 7.578 646 3HG2 THR 82 1HG2 THR 82 10.825 -8.582 6.224 647 H CYS 83 HN CYS 83 5.599 -8.353 5.472 648 HA CYS 83 HA CYS 83 4.591 -10.879 4.731 649 1HB CYS 83 2HB CYS 83 3.485 -9.107 6.113 650 2HB CYS 83 1HB CYS 83 3.189 -8.188 4.636 651 H GLU 84 HN GLU 84 4.398 -7.844 2.833 652 HA GLU 84 HA GLU 84 3.231 -8.938 0.498 653 1HB GLU 84 2HB GLU 84 3.475 -6.541 1.077 654 2HB GLU 84 1HB GLU 84 5.213 -6.664 0.808 655 1HG GLU 84 2HG GLU 84 4.743 -7.394 -1.542 656 2HG GLU 84 1HG GLU 84 3.029 -7.103 -1.249 657 H ILE 85 HN ILE 85 6.625 -8.936 1.547 658 HA ILE 85 HA ILE 85 7.470 -10.010 -1.091 659 HB ILE 85 HB ILE 85 9.718 -9.620 -0.186 660 1HG1 ILE 85 2HG1 ILE 85 8.218 -9.040 2.380 661 2HG1 ILE 85 1HG1 ILE 85 9.393 -10.325 2.110 662 1HG2 ILE 85 1HG2 ILE 85 7.647 -7.462 0.205 663 2HG2 ILE 85 3HG2 ILE 85 9.357 -7.139 0.488 664 3HG2 ILE 85 2HG2 ILE 85 8.808 -7.647 -1.110 665 1HD1 ILE 85 1HD1 ILE 85 10.822 -8.109 1.359 666 2HD1 ILE 85 3HD1 ILE 85 9.825 -7.459 2.659 667 3HD1 ILE 85 2HD1 ILE 85 10.886 -8.835 2.965 668 H CYS 86 HN CYS 86 5.958 -11.406 1.345 669 HA CYS 86 HA CYS 86 5.931 -13.576 2.281 670 1HB CYS 86 2HB CYS 86 6.065 -13.743 -0.346 671 2HB CYS 86 1HB CYS 86 7.680 -14.377 -0.026 672 H ALA 87 HN ALA 87 8.425 -11.729 2.708 673 HA ALA 87 HA ALA 87 10.638 -13.602 3.092 674 1HB ALA 87 2HB ALA 87 10.066 -10.752 3.964 675 2HB ALA 87 1HB ALA 87 11.611 -11.561 4.232 676 3HB ALA 87 3HB ALA 87 11.044 -11.263 2.589 677 H TYR 88 HN TYR 88 7.790 -12.920 4.790 678 HA TYR 88 HA TYR 88 8.880 -14.238 7.244 679 1HB TYR 88 2HB TYR 88 8.792 -11.745 7.459 680 2HB TYR 88 1HB TYR 88 7.061 -11.809 7.132 681 HD1 TYR 88 HD1 TYR 88 9.250 -14.049 9.188 682 HD2 TYR 88 HD2 TYR 88 5.965 -11.282 9.135 683 HE1 TYR 88 HE1 TYR 88 8.817 -14.516 11.585 684 HE2 TYR 88 HE2 TYR 88 5.532 -11.749 11.531 685 HH TYR 88 HH TYR 88 6.197 -12.843 13.337 686 H ALA 89 HN ALA 89 7.056 -15.152 8.587 687 HA ALA 89 HA ALA 89 5.121 -16.528 6.905 688 1HB ALA 89 3HB ALA 89 6.280 -17.423 8.950 689 2HB ALA 89 2HB ALA 89 5.320 -16.311 9.926 690 3HB ALA 89 1HB ALA 89 4.526 -17.594 9.013 691 H ALA 90 HN ALA 90 5.143 -13.406 7.982 692 HA ALA 90 HA ALA 90 2.557 -12.997 9.121 693 1HB ALA 90 3HB ALA 90 4.611 -11.389 7.643 694 2HB ALA 90 2HB ALA 90 3.036 -10.662 7.959 695 3HB ALA 90 1HB ALA 90 4.040 -11.211 9.301 696 H CYS 91 HN CYS 91 3.647 -13.129 5.732 697 HA CYS 91 HA CYS 91 0.867 -12.613 4.801 698 1HB CYS 91 2HB CYS 91 3.529 -12.083 3.901 699 2HB CYS 91 1HB CYS 91 2.733 -13.086 2.690 700 H THR 92 HN THR 92 -0.420 -14.368 4.455 701 HA THR 92 HA THR 92 0.862 -17.016 3.928 702 HB THR 92 HB THR 92 -1.255 -17.906 4.736 703 HG1 THR 92 1HG THR 92 -2.047 -15.241 4.357 704 1HG2 THR 92 3HG2 THR 92 0.177 -15.804 6.255 705 2HG2 THR 92 2HG2 THR 92 -1.396 -16.276 6.899 706 3HG2 THR 92 1HG2 THR 92 -0.133 -17.488 6.677 707 H GLY 93 HN GLY 93 0.018 -18.329 2.178 708 1HA GLY 93 1HA GLY 93 -1.765 -16.973 0.231 709 2HA GLY 93 2HA GLY 93 -1.336 -18.684 0.213 710 H CYS 94 HN CYS 94 1.358 -16.706 0.802 711 HA CYS 94 HA CYS 94 2.055 -15.976 -1.907 712 1HB CYS 94 2HB CYS 94 4.147 -15.356 -0.871 713 2HB CYS 94 1HB CYS 94 2.869 -14.994 0.287 No H/Q in entry = 713 Start of MODEL 4 1 H1 VAL 1 1H VAL 1 -2.143 -11.451 -0.436 2 H2 VAL 1 3H VAL 1 -0.731 -11.814 -1.303 3 H3 VAL 1 2H VAL 1 -1.394 -12.963 -0.242 4 HA VAL 1 HA VAL 1 0.282 -12.144 1.078 5 HB VAL 1 HB VAL 1 0.907 -9.706 0.862 6 1HG1 VAL 1 2HG1 VAL 1 1.594 -11.806 -0.713 7 2HG1 VAL 1 1HG1 VAL 1 0.926 -10.716 -1.929 8 3HG1 VAL 1 3HG1 VAL 1 2.268 -10.189 -0.913 9 1HG2 VAL 1 2HG2 VAL 1 -1.619 -9.639 -0.458 10 2HG2 VAL 1 1HG2 VAL 1 -0.514 -8.296 -0.166 11 3HG2 VAL 1 3HG2 VAL 1 -0.386 -9.234 -1.653 12 H THR 2 HN THR 2 -1.007 -12.538 2.917 13 HA THR 2 HA THR 2 -2.700 -10.234 3.835 14 HB THR 2 HB THR 2 -3.128 -13.206 4.272 15 HG1 THR 2 1HG THR 2 -5.046 -12.387 2.862 16 1HG2 THR 2 2HG2 THR 2 -4.662 -10.720 5.015 17 2HG2 THR 2 1HG2 THR 2 -5.465 -12.283 4.873 18 3HG2 THR 2 3HG2 THR 2 -4.174 -12.059 6.052 19 H VAL 3 HN VAL 3 -2.666 -9.847 6.116 20 HA VAL 3 HA VAL 3 -0.185 -10.730 7.462 21 HB VAL 3 HB VAL 3 -2.410 -8.796 8.189 22 1HG1 VAL 3 3HG1 VAL 3 -1.199 -9.719 10.167 23 2HG1 VAL 3 2HG1 VAL 3 0.320 -9.172 9.457 24 3HG1 VAL 3 1HG1 VAL 3 -0.902 -7.995 9.938 25 1HG2 VAL 3 3HG2 VAL 3 0.096 -8.624 6.620 26 2HG2 VAL 3 2HG2 VAL 3 -1.360 -7.635 6.526 27 3HG2 VAL 3 1HG2 VAL 3 -0.159 -7.318 7.778 28 H GLN 4 HN GLN 4 -0.303 -12.662 8.557 29 HA GLN 4 HA GLN 4 -2.896 -13.393 9.864 30 1HB GLN 4 2HB GLN 4 -1.930 -14.891 8.118 31 2HB GLN 4 1HB GLN 4 -0.480 -15.071 9.107 32 1HG GLN 4 2HG GLN 4 -1.961 -15.924 10.968 33 2HG GLN 4 1HG GLN 4 -3.301 -15.925 9.821 34 1HE2 GLN 4 1HE2 GLN 4 -3.581 -17.882 8.747 35 2HE2 GLN 4 2HE2 GLN 4 -2.365 -19.037 8.487 36 H ASP 5 HN ASP 5 -2.909 -13.006 12.030 37 HA ASP 5 HA ASP 5 -0.332 -12.949 13.528 38 1HB ASP 5 2HB ASP 5 -1.741 -11.826 15.235 39 2HB ASP 5 1HB ASP 5 -1.894 -11.037 13.665 40 H GLY 6 HN GLY 6 -2.464 -15.258 12.673 41 1HA GLY 6 1HA GLY 6 -3.368 -16.511 15.026 42 2HA GLY 6 2HA GLY 6 -1.715 -17.070 14.769 43 H ASN 7 HN ASN 7 -4.426 -18.436 14.498 44 HA ASN 7 HA ASN 7 -3.781 -19.938 12.072 45 1HB ASN 7 2HB ASN 7 -6.104 -20.053 14.023 46 2HB ASN 7 1HB ASN 7 -5.705 -21.296 12.837 47 1HD2 ASN 7 1HD2 ASN 7 -5.619 -21.249 15.942 48 2HD2 ASN 7 2HD2 ASN 7 -4.065 -21.825 16.307 49 H PHE 8 HN PHE 8 -5.260 -17.013 12.436 50 HA PHE 8 HA PHE 8 -7.185 -17.533 10.192 51 1HB PHE 8 2HB PHE 8 -7.244 -15.458 12.407 52 2HB PHE 8 1HB PHE 8 -8.490 -15.687 11.179 53 HD1 PHE 8 HD1 PHE 8 -6.917 -17.093 14.200 54 HD2 PHE 8 HD2 PHE 8 -9.969 -17.632 11.226 55 HE1 PHE 8 HE1 PHE 8 -7.971 -18.849 15.599 56 HE2 PHE 8 HE2 PHE 8 -11.021 -19.389 12.625 57 HZ PHE 8 HZ PHE 8 -10.022 -19.997 14.812 58 H SER 9 HN SER 9 -7.017 -16.182 8.394 59 HA SER 9 HA SER 9 -4.605 -14.496 8.188 60 1HB SER 9 2HB SER 9 -5.425 -16.127 6.448 61 2HB SER 9 1HB SER 9 -6.821 -15.079 6.197 62 HG SER 9 HG SER 9 -4.276 -14.821 5.302 63 H PHE 10 HN PHE 10 -4.664 -12.300 8.519 64 HA PHE 10 HA PHE 10 -7.345 -10.953 8.478 65 1HB PHE 10 2HB PHE 10 -4.811 -10.455 10.072 66 2HB PHE 10 1HB PHE 10 -6.227 -9.406 10.129 67 HD1 PHE 10 HD1 PHE 10 -8.122 -11.958 9.689 68 HD2 PHE 10 HD2 PHE 10 -5.060 -10.906 12.516 69 HE1 PHE 10 HE1 PHE 10 -9.164 -13.447 11.375 70 HE2 PHE 10 HE2 PHE 10 -6.106 -12.397 14.201 71 HZ PHE 10 HZ PHE 10 -8.156 -13.668 13.629 72 H SER 11 HN SER 11 -7.583 -9.333 6.987 73 HA SER 11 HA SER 11 -5.367 -8.618 5.211 74 1HB SER 11 2HB SER 11 -7.115 -7.444 4.018 75 2HB SER 11 1HB SER 11 -7.808 -8.955 4.604 76 HG SER 11 HG SER 11 -8.029 -6.404 5.821 77 H LEU 12 HN LEU 12 -5.136 -6.134 4.733 78 HA LEU 12 HA LEU 12 -4.608 -4.785 7.335 79 1HB LEU 12 2HB LEU 12 -3.719 -4.274 4.478 80 2HB LEU 12 1HB LEU 12 -3.167 -3.354 5.876 81 HG LEU 12 HG LEU 12 -1.488 -5.003 5.519 82 1HD1 LEU 12 2HD1 LEU 12 -2.814 -4.868 7.869 83 2HD1 LEU 12 1HD1 LEU 12 -3.060 -6.573 7.494 84 3HD1 LEU 12 3HD1 LEU 12 -1.424 -5.924 7.619 85 1HD2 LEU 12 3HD2 LEU 12 -3.289 -6.371 4.104 86 2HD2 LEU 12 2HD2 LEU 12 -1.860 -7.159 4.776 87 3HD2 LEU 12 1HD2 LEU 12 -3.411 -7.289 5.605 88 H GLU 13 HN GLU 13 -6.931 -4.763 4.860 89 HA GLU 13 HA GLU 13 -7.473 -1.946 4.626 90 1HB GLU 13 2HB GLU 13 -8.187 -3.757 3.069 91 2HB GLU 13 1HB GLU 13 -9.299 -4.348 4.304 92 1HG GLU 13 2HG GLU 13 -10.420 -2.120 4.307 93 2HG GLU 13 1HG GLU 13 -9.350 -1.608 3.001 94 H SER 14 HN SER 14 -9.648 -4.328 6.174 95 HA SER 14 HA SER 14 -11.187 -2.520 7.658 96 1HB SER 14 2HB SER 14 -10.338 -5.250 8.632 97 2HB SER 14 1HB SER 14 -11.899 -4.458 8.848 98 HG SER 14 HG SER 14 -11.006 -5.966 6.793 99 H VAL 15 HN VAL 15 -8.283 -4.289 8.848 100 HA VAL 15 HA VAL 15 -8.234 -3.184 11.447 101 HB VAL 15 HB VAL 15 -5.772 -3.745 11.265 102 1HG1 VAL 15 1HG1 VAL 15 -8.002 -5.351 11.381 103 2HG1 VAL 15 3HG1 VAL 15 -7.113 -6.061 10.030 104 3HG1 VAL 15 2HG1 VAL 15 -6.345 -5.917 11.612 105 1HG2 VAL 15 1HG2 VAL 15 -6.617 -4.230 8.396 106 2HG2 VAL 15 3HG2 VAL 15 -5.306 -3.204 8.976 107 3HG2 VAL 15 2HG2 VAL 15 -5.177 -4.957 9.104 108 H LYS 16 HN LYS 16 -6.599 -1.959 8.485 109 HA LYS 16 HA LYS 16 -5.402 0.337 9.648 110 1HB LYS 16 2HB LYS 16 -5.106 -0.600 7.321 111 2HB LYS 16 1HB LYS 16 -6.684 0.072 6.905 112 1HG LYS 16 2HG LYS 16 -5.892 2.329 7.426 113 2HG LYS 16 1HG LYS 16 -4.335 1.688 7.948 114 1HD LYS 16 2HD LYS 16 -3.959 2.410 5.720 115 2HD LYS 16 1HD LYS 16 -4.173 0.665 5.585 116 1HE LYS 16 2HE LYS 16 -5.647 1.363 3.922 117 2HE LYS 16 1HE LYS 16 -6.747 1.405 5.314 118 1HZ LYS 16 2HZ LYS 16 -5.006 3.711 4.703 119 2HZ LYS 16 1HZ LYS 16 -6.483 3.525 3.884 120 3HZ LYS 16 3HZ LYS 16 -6.466 3.678 5.573 121 H LYS 17 HN LYS 17 -8.579 0.032 8.025 122 HA LYS 17 HA LYS 17 -9.466 2.672 8.947 123 1HB LYS 17 2HB LYS 17 -10.970 0.358 7.679 124 2HB LYS 17 1HB LYS 17 -11.495 2.041 7.730 125 1HG LYS 17 2HG LYS 17 -8.911 1.148 6.427 126 2HG LYS 17 1HG LYS 17 -10.427 1.326 5.544 127 1HD LYS 17 2HD LYS 17 -10.524 3.707 6.478 128 2HD LYS 17 1HD LYS 17 -8.848 3.471 6.978 129 1HE LYS 17 2HE LYS 17 -8.177 3.045 4.661 130 2HE LYS 17 1HE LYS 17 -9.866 3.151 4.129 131 1HZ LYS 17 1HZ LYS 17 -8.749 5.333 5.748 132 2HZ LYS 17 3HZ LYS 17 -8.321 5.259 4.109 133 3HZ LYS 17 2HZ LYS 17 -9.956 5.387 4.553 134 H LEU 18 HN LEU 18 -8.878 0.071 10.733 135 HA LEU 18 HA LEU 18 -11.303 -0.664 12.031 136 1HB LEU 18 2HB LEU 18 -9.214 -1.894 12.210 137 2HB LEU 18 1HB LEU 18 -8.406 -0.496 12.920 138 HG LEU 18 HG LEU 18 -9.994 -0.615 14.848 139 1HD1 LEU 18 1HD1 LEU 18 -11.367 -2.362 13.096 140 2HD1 LEU 18 3HD1 LEU 18 -10.805 -3.355 14.441 141 3HD1 LEU 18 2HD1 LEU 18 -11.811 -1.940 14.750 142 1HD2 LEU 18 1HD2 LEU 18 -7.871 -2.473 14.155 143 2HD2 LEU 18 3HD2 LEU 18 -8.244 -1.748 15.719 144 3HD2 LEU 18 2HD2 LEU 18 -9.042 -3.241 15.228 145 H LYS 19 HN LYS 19 -8.843 1.781 12.973 146 HA LYS 19 HA LYS 19 -10.257 2.782 15.250 147 1HB LYS 19 2HB LYS 19 -8.255 4.036 13.343 148 2HB LYS 19 1HB LYS 19 -8.712 4.737 14.895 149 1HG LYS 19 2HG LYS 19 -7.986 2.599 15.999 150 2HG LYS 19 1HG LYS 19 -7.388 2.047 14.435 151 1HD LYS 19 2HD LYS 19 -5.881 3.998 14.319 152 2HD LYS 19 1HD LYS 19 -6.482 4.558 15.880 153 1HE LYS 19 2HE LYS 19 -4.428 3.365 16.324 154 2HE LYS 19 1HE LYS 19 -5.743 2.280 16.814 155 1HZ LYS 19 2HZ LYS 19 -4.915 2.237 14.008 156 2HZ LYS 19 1HZ LYS 19 -3.863 1.513 15.130 157 3HZ LYS 19 3HZ LYS 19 -5.462 0.965 14.993 158 H ASP 20 HN ASP 20 -10.404 3.582 11.807 159 HA ASP 20 HA ASP 20 -12.774 5.331 12.383 160 1HB ASP 20 2HB ASP 20 -10.676 6.594 11.860 161 2HB ASP 20 1HB ASP 20 -10.589 5.749 10.314 162 H LEU 21 HN LEU 21 -14.343 3.823 11.697 163 HA LEU 21 HA LEU 21 -13.948 2.417 9.113 164 1HB LEU 21 2HB LEU 21 -14.745 1.303 11.224 165 2HB LEU 21 1HB LEU 21 -16.205 2.289 11.135 166 HG LEU 21 HG LEU 21 -15.909 1.180 8.569 167 1HD1 LEU 21 2HD1 LEU 21 -15.104 -0.704 10.769 168 2HD1 LEU 21 1HD1 LEU 21 -15.998 -1.317 9.378 169 3HD1 LEU 21 3HD1 LEU 21 -14.432 -0.540 9.146 170 1HD2 LEU 21 1HD2 LEU 21 -17.705 0.848 10.929 171 2HD2 LEU 21 3HD2 LEU 21 -18.091 1.372 9.289 172 3HD2 LEU 21 2HD2 LEU 21 -17.842 -0.340 9.632 173 H GLN 22 HN GLN 22 -14.836 3.198 7.264 174 HA GLN 22 HA GLN 22 -17.235 4.987 7.446 175 1HB GLN 22 2HB GLN 22 -14.697 5.309 5.809 176 2HB GLN 22 1HB GLN 22 -16.130 6.318 5.618 177 1HG GLN 22 2HG GLN 22 -15.953 6.997 7.996 178 2HG GLN 22 1HG GLN 22 -14.495 6.017 8.156 179 1HE2 GLN 22 1HE2 GLN 22 -14.385 8.831 8.600 180 2HE2 GLN 22 2HE2 GLN 22 -13.487 9.547 7.351 181 H GLU 23 HN GLU 23 -18.668 4.769 5.611 182 HA GLU 23 HA GLU 23 -19.782 3.395 4.016 183 1HB GLU 23 2HB GLU 23 -17.225 4.394 3.142 184 2HB GLU 23 1HB GLU 23 -17.521 2.828 2.386 185 1HG GLU 23 2HG GLU 23 -19.736 3.613 1.627 186 2HG GLU 23 1HG GLU 23 -19.437 5.180 2.379 187 HA PRO 24 HA PRO 24 -18.468 -0.520 6.036 188 1HB PRO 24 2HB PRO 24 -21.134 -1.431 5.450 189 2HB PRO 24 1HB PRO 24 -20.445 -1.016 7.022 190 1HG PRO 24 2HG PRO 24 -22.369 0.470 5.473 191 2HG PRO 24 1HG PRO 24 -21.720 0.859 7.068 192 1HD PRO 24 2HD PRO 24 -21.163 2.187 4.583 193 2HD PRO 24 1HD PRO 24 -20.443 2.524 6.175 194 H GLN 25 HN GLN 25 -18.738 -2.837 5.125 195 HA GLN 25 HA GLN 25 -18.414 -4.343 3.335 196 1HB GLN 25 2HB GLN 25 -20.092 -2.253 1.910 197 2HB GLN 25 1HB GLN 25 -19.901 -3.938 1.429 198 1HG GLN 25 2HG GLN 25 -20.933 -4.673 3.536 199 2HG GLN 25 1HG GLN 25 -21.089 -2.996 4.058 200 1HE2 GLN 25 1HE2 GLN 25 -23.400 -4.647 3.784 201 2HE2 GLN 25 2HE2 GLN 25 -24.323 -4.076 2.479 202 H GLU 26 HN GLU 26 -16.224 -2.759 3.729 203 HA GLU 26 HA GLU 26 -14.334 -1.830 2.651 204 1HB GLU 26 2HB GLU 26 -15.650 -3.617 0.598 205 2HB GLU 26 1HB GLU 26 -14.096 -2.840 0.295 206 1HG GLU 26 2HG GLU 26 -13.157 -3.903 2.303 207 2HG GLU 26 1HG GLU 26 -14.716 -4.652 2.649 208 HA PRO 27 HA PRO 27 -16.594 1.729 0.916 209 1HB PRO 27 2HB PRO 27 -14.195 3.231 1.427 210 2HB PRO 27 1HB PRO 27 -15.727 3.301 2.301 211 1HG PRO 27 2HG PRO 27 -13.241 2.179 3.193 212 2HG PRO 27 1HG PRO 27 -14.775 2.235 4.061 213 1HD PRO 27 2HD PRO 27 -13.488 -0.064 2.874 214 2HD PRO 27 1HD PRO 27 -15.023 -0.012 3.772 215 H ARG 28 HN ARG 28 -13.523 0.275 0.148 216 HA ARG 28 HA ARG 28 -12.279 0.211 -1.859 217 1HB ARG 28 2HB ARG 28 -15.049 0.999 -2.813 218 2HB ARG 28 1HB ARG 28 -13.751 0.482 -3.890 219 1HG ARG 28 2HG ARG 28 -13.594 -1.655 -2.604 220 2HG ARG 28 1HG ARG 28 -14.977 -1.140 -1.638 221 1HD ARG 28 2HD ARG 28 -16.280 -0.914 -3.814 222 2HD ARG 28 1HD ARG 28 -14.920 -1.724 -4.616 223 HE ARG 28 HE ARG 28 -15.308 -3.663 -3.112 224 1HH1 ARG 28 1HH1 ARG 28 -17.316 -1.179 -2.071 225 2HH1 ARG 28 2HH1 ARG 28 -18.739 -2.155 -1.922 226 1HH2 ARG 28 1HH2 ARG 28 -17.304 -4.941 -3.407 227 2HH2 ARG 28 2HH2 ARG 28 -18.732 -4.285 -2.679 228 H VAL 29 HN VAL 29 -11.703 2.476 -0.483 229 HA VAL 29 HA VAL 29 -11.591 4.570 -2.621 230 HB VAL 29 HB VAL 29 -13.369 5.013 -0.915 231 1HG1 VAL 29 3HG1 VAL 29 -11.914 3.834 0.900 232 2HG1 VAL 29 2HG1 VAL 29 -11.144 5.411 1.079 233 3HG1 VAL 29 1HG1 VAL 29 -12.874 5.236 1.375 234 1HG2 VAL 29 2HG2 VAL 29 -11.020 6.750 -1.418 235 2HG2 VAL 29 1HG2 VAL 29 -12.735 7.069 -1.682 236 3HG2 VAL 29 3HG2 VAL 29 -12.046 7.236 -0.068 237 H GLY 30 HN GLY 30 -9.601 5.666 -2.703 238 1HA GLY 30 1HA GLY 30 -7.622 5.143 -0.552 239 2HA GLY 30 2HA GLY 30 -7.473 6.380 -1.800 240 H LYS 31 HN LYS 31 -5.996 5.897 -3.344 241 HA LYS 31 HA LYS 31 -5.882 3.464 -4.813 242 1HB LYS 31 2HB LYS 31 -4.995 5.691 -5.492 243 2HB LYS 31 1HB LYS 31 -3.719 5.528 -4.286 244 1HG LYS 31 2HG LYS 31 -2.956 3.445 -5.417 245 2HG LYS 31 1HG LYS 31 -4.190 3.689 -6.653 246 1HD LYS 31 2HD LYS 31 -3.165 5.923 -7.154 247 2HD LYS 31 1HD LYS 31 -1.872 5.539 -6.018 248 1HE LYS 31 2HE LYS 31 -0.978 4.876 -8.115 249 2HE LYS 31 1HE LYS 31 -1.603 3.356 -7.449 250 1HZ LYS 31 2HZ LYS 31 -3.556 5.001 -8.819 251 2HZ LYS 31 1HZ LYS 31 -2.342 4.371 -9.827 252 3HZ LYS 31 3HZ LYS 31 -3.304 3.323 -8.904 253 H LEU 32 HN LEU 32 -3.947 4.571 -2.019 254 HA LEU 32 HA LEU 32 -2.894 1.769 -1.767 255 1HB LEU 32 2HB LEU 32 -1.674 4.412 -0.905 256 2HB LEU 32 1HB LEU 32 -0.900 2.830 -0.802 257 HG LEU 32 HG LEU 32 -1.752 4.259 -3.339 258 1HD1 LEU 32 1HD1 LEU 32 0.423 4.860 -1.993 259 2HD1 LEU 32 3HD1 LEU 32 1.025 3.336 -2.646 260 3HD1 LEU 32 2HD1 LEU 32 0.524 4.627 -3.738 261 1HD2 LEU 32 3HD2 LEU 32 -0.561 1.509 -2.881 262 2HD2 LEU 32 2HD2 LEU 32 -2.128 1.877 -3.602 263 3HD2 LEU 32 1HD2 LEU 32 -0.643 2.297 -4.457 264 H ARG 33 HN ARG 33 -3.034 0.811 0.285 265 HA ARG 33 HA ARG 33 -4.843 2.125 2.221 266 1HB ARG 33 2HB ARG 33 -3.564 -0.622 2.023 267 2HB ARG 33 1HB ARG 33 -4.720 -0.159 3.273 268 1HG ARG 33 2HG ARG 33 -6.364 0.411 1.475 269 2HG ARG 33 1HG ARG 33 -5.218 -0.198 0.281 270 1HD ARG 33 2HD ARG 33 -5.244 -2.418 1.466 271 2HD ARG 33 1HD ARG 33 -6.524 -1.785 2.520 272 HE ARG 33 HE ARG 33 -7.817 -1.340 0.359 273 1HH1 ARG 33 1HH1 ARG 33 -5.359 -2.245 -1.292 274 2HH1 ARG 33 2HH1 ARG 33 -5.895 -3.807 -1.814 275 1HH2 ARG 33 1HH2 ARG 33 -8.490 -3.975 0.479 276 2HH2 ARG 33 2HH2 ARG 33 -7.668 -4.786 -0.812 277 H ASN 34 HN ASN 34 -2.551 3.582 2.210 278 HA ASN 34 HA ASN 34 -0.894 2.574 4.492 279 1HB ASN 34 2HB ASN 34 0.193 3.129 2.310 280 2HB ASN 34 1HB ASN 34 -0.400 4.783 2.465 281 1HD2 ASN 34 1HD2 ASN 34 0.903 6.217 3.649 282 2HD2 ASN 34 2HD2 ASN 34 2.214 5.747 4.617 283 H PHE 35 HN PHE 35 -1.498 3.446 6.436 284 HA PHE 35 HA PHE 35 -1.889 6.343 6.712 285 1HB PHE 35 2HB PHE 35 -4.064 5.485 5.847 286 2HB PHE 35 1HB PHE 35 -4.157 4.388 7.225 287 HD1 PHE 35 HD1 PHE 35 -4.196 7.940 6.181 288 HD2 PHE 35 HD2 PHE 35 -4.718 5.183 9.433 289 HE1 PHE 35 HE1 PHE 35 -5.192 9.749 7.555 290 HE2 PHE 35 HE2 PHE 35 -5.715 6.992 10.807 291 HZ PHE 35 HZ PHE 35 -5.952 9.275 9.868 292 H ALA 36 HN ALA 36 -0.254 6.245 8.324 293 HA ALA 36 HA ALA 36 0.286 4.443 10.319 294 1HB ALA 36 1HB ALA 36 0.029 7.275 11.192 295 2HB ALA 36 3HB ALA 36 1.431 6.206 11.253 296 3HB ALA 36 2HB ALA 36 0.986 6.993 9.738 297 HA PRO 37 HA PRO 37 -3.929 4.336 12.074 298 1HB PRO 37 2HB PRO 37 -3.102 1.908 13.372 299 2HB PRO 37 1HB PRO 37 -4.207 2.088 12.007 300 1HG PRO 37 2HG PRO 37 -1.570 0.996 11.969 301 2HG PRO 37 1HG PRO 37 -2.638 1.271 10.590 302 1HD PRO 37 2HD PRO 37 -0.243 2.749 11.353 303 2HD PRO 37 1HD PRO 37 -1.224 2.914 9.878 304 H ILE 38 HN ILE 38 -0.775 4.497 13.415 305 HA ILE 38 HA ILE 38 0.005 5.199 15.533 306 HB ILE 38 HB ILE 38 -2.878 6.152 15.612 307 1HG1 ILE 38 2HG1 ILE 38 -0.744 8.106 15.176 308 2HG1 ILE 38 1HG1 ILE 38 -0.806 6.881 13.908 309 1HG2 ILE 38 2HG2 ILE 38 -1.189 6.026 17.749 310 2HG2 ILE 38 1HG2 ILE 38 -0.759 7.602 17.084 311 3HG2 ILE 38 3HG2 ILE 38 -2.426 7.267 17.550 312 1HD1 ILE 38 3HD1 ILE 38 -3.317 7.306 13.796 313 2HD1 ILE 38 2HD1 ILE 38 -3.036 8.713 14.821 314 3HD1 ILE 38 1HD1 ILE 38 -2.298 8.626 13.221 315 HA PRO 39 HA PRO 39 -1.700 1.347 17.411 316 1HB PRO 39 2HB PRO 39 0.886 1.096 18.646 317 2HB PRO 39 1HB PRO 39 0.196 0.109 17.354 318 1HG PRO 39 2HG PRO 39 2.302 2.057 17.160 319 2HG PRO 39 1HG PRO 39 1.621 1.062 15.870 320 1HD PRO 39 2HD PRO 39 1.287 3.898 16.280 321 2HD PRO 39 1HD PRO 39 0.585 2.893 14.990 322 H GLY 40 HN GLY 40 -1.870 0.821 19.778 323 1HA GLY 40 1HA GLY 40 -1.326 3.160 21.550 324 2HA GLY 40 2HA GLY 40 -1.556 1.503 22.113 325 H GLU 41 HN GLU 41 -3.802 1.643 19.835 326 HA GLU 41 HA GLU 41 -5.880 2.820 21.654 327 1HB GLU 41 2HB GLU 41 -5.112 3.358 18.918 328 2HB GLU 41 1HB GLU 41 -6.782 2.793 18.970 329 1HG GLU 41 2HG GLU 41 -7.358 4.887 19.592 330 2HG GLU 41 1HG GLU 41 -6.573 4.555 21.136 331 HA PRO 42 HA PRO 42 -6.668 -1.722 21.107 332 1HB PRO 42 2HB PRO 42 -7.955 -1.559 23.675 333 2HB PRO 42 1HB PRO 42 -6.440 -2.366 23.268 334 1HG PRO 42 2HG PRO 42 -6.802 0.054 24.774 335 2HG PRO 42 1HG PRO 42 -5.286 -0.755 24.369 336 1HD PRO 42 2HD PRO 42 -6.320 1.716 23.290 337 2HD PRO 42 1HD PRO 42 -4.791 0.901 22.881 338 H VAL 43 HN VAL 43 -8.617 -2.476 20.259 339 HA VAL 43 HA VAL 43 -11.021 -0.722 20.629 340 HB VAL 43 HB VAL 43 -11.611 -1.392 18.347 341 1HG1 VAL 43 2HG1 VAL 43 -8.825 -0.381 18.868 342 2HG1 VAL 43 1HG1 VAL 43 -9.377 -0.622 17.210 343 3HG1 VAL 43 3HG1 VAL 43 -10.231 0.501 18.270 344 1HG2 VAL 43 3HG2 VAL 43 -9.108 -3.099 18.520 345 2HG2 VAL 43 2HG2 VAL 43 -10.766 -3.693 18.422 346 3HG2 VAL 43 1HG2 VAL 43 -10.053 -2.838 17.054 347 H VAL 44 HN VAL 44 -10.613 -2.652 22.549 348 HA VAL 44 HA VAL 44 -12.887 -4.482 22.037 349 HB VAL 44 HB VAL 44 -11.621 -6.465 22.381 350 1HG1 VAL 44 1HG1 VAL 44 -11.220 -5.446 20.161 351 2HG1 VAL 44 3HG1 VAL 44 -9.830 -4.580 20.817 352 3HG1 VAL 44 2HG1 VAL 44 -9.807 -6.341 20.722 353 1HG2 VAL 44 2HG2 VAL 44 -9.648 -4.572 23.602 354 2HG2 VAL 44 1HG2 VAL 44 -10.239 -6.120 24.209 355 3HG2 VAL 44 3HG2 VAL 44 -9.050 -6.079 22.908 356 HA PRO 45 HA PRO 45 -12.100 -2.584 26.371 357 1HB PRO 45 2HB PRO 45 -14.730 -1.438 26.141 358 2HB PRO 45 1HB PRO 45 -13.182 -0.598 26.261 359 1HG PRO 45 2HG PRO 45 -14.882 -0.895 23.945 360 2HG PRO 45 1HG PRO 45 -13.381 0.020 24.089 361 1HD PRO 45 2HD PRO 45 -13.787 -2.420 22.648 362 2HD PRO 45 1HD PRO 45 -12.245 -1.572 22.917 363 H ILE 46 HN ILE 46 -14.439 -4.475 24.669 364 HA ILE 46 HA ILE 46 -14.889 -6.277 26.853 365 HB ILE 46 HB ILE 46 -16.062 -4.133 27.597 366 1HG1 ILE 46 2HG1 ILE 46 -17.973 -6.443 27.213 367 2HG1 ILE 46 1HG1 ILE 46 -16.616 -6.530 28.337 368 1HG2 ILE 46 1HG2 ILE 46 -17.880 -4.934 25.306 369 2HG2 ILE 46 3HG2 ILE 46 -18.279 -3.729 26.529 370 3HG2 ILE 46 2HG2 ILE 46 -16.936 -3.450 25.422 371 1HD1 ILE 46 3HD1 ILE 46 -18.524 -4.201 28.426 372 2HD1 ILE 46 2HD1 ILE 46 -18.924 -5.715 29.238 373 3HD1 ILE 46 1HD1 ILE 46 -17.476 -4.820 29.702 374 H LEU 47 HN LEU 47 -16.009 -4.881 23.816 375 HA LEU 47 HA LEU 47 -16.507 -7.575 22.736 376 1HB LEU 47 2HB LEU 47 -18.576 -6.957 23.983 377 2HB LEU 47 1HB LEU 47 -18.716 -5.506 22.990 378 HG LEU 47 HG LEU 47 -18.683 -7.072 20.962 379 1HD1 LEU 47 1HD1 LEU 47 -18.025 -8.962 22.853 380 2HD1 LEU 47 3HD1 LEU 47 -19.748 -9.258 22.618 381 3HD1 LEU 47 2HD1 LEU 47 -18.647 -9.324 21.243 382 1HD2 LEU 47 1HD2 LEU 47 -20.742 -6.093 22.479 383 2HD2 LEU 47 3HD2 LEU 47 -20.958 -6.961 20.959 384 3HD2 LEU 47 2HD2 LEU 47 -21.096 -7.820 22.493 385 H CYS 48 HN CYS 48 -14.609 -6.363 21.571 386 HA CYS 48 HA CYS 48 -13.807 -5.142 19.704 387 1HB CYS 48 2HB CYS 48 -16.457 -6.333 18.847 388 2HB CYS 48 1HB CYS 48 -15.316 -5.613 17.709 389 H SER 49 HN SER 49 -13.794 -2.943 20.183 390 HA SER 49 HA SER 49 -15.946 -1.231 20.712 391 1HB SER 49 2HB SER 49 -13.459 -0.813 20.865 392 2HB SER 49 1HB SER 49 -13.459 -0.567 19.118 393 HG SER 49 HG SER 49 -14.836 0.919 21.092 394 H ASN 50 HN ASN 50 -14.440 -1.806 17.517 395 HA ASN 50 HA ASN 50 -16.488 -0.259 16.120 396 1HB ASN 50 2HB ASN 50 -14.087 -1.935 15.438 397 2HB ASN 50 1HB ASN 50 -15.179 -1.410 14.155 398 1HD2 ASN 50 1HD2 ASN 50 -14.534 0.539 13.241 399 2HD2 ASN 50 2HD2 ASN 50 -13.720 1.782 14.062 400 HA PRO 51 HA PRO 51 -19.248 -3.843 16.154 401 1HB PRO 51 2HB PRO 51 -21.088 -2.233 14.639 402 2HB PRO 51 1HB PRO 51 -21.184 -2.678 16.345 403 1HG PRO 51 2HG PRO 51 -20.601 -0.102 15.238 404 2HG PRO 51 1HG PRO 51 -20.645 -0.559 16.942 405 1HD PRO 51 2HD PRO 51 -18.326 0.044 15.307 406 2HD PRO 51 1HD PRO 51 -18.381 -0.337 17.042 407 H ASN 52 HN ASN 52 -17.829 -2.077 13.559 408 HA ASN 52 HA ASN 52 -18.645 -4.224 11.626 409 1HB ASN 52 2HB ASN 52 -18.160 -1.253 11.265 410 2HB ASN 52 1HB ASN 52 -18.388 -2.373 9.921 411 1HD2 ASN 52 1HD2 ASN 52 -20.236 -0.223 10.440 412 2HD2 ASN 52 2HD2 ASN 52 -21.719 -0.904 10.905 413 H PHE 53 HN PHE 53 -16.233 -4.049 13.426 414 HA PHE 53 HA PHE 53 -13.972 -3.424 11.662 415 1HB PHE 53 2HB PHE 53 -12.699 -3.824 13.595 416 2HB PHE 53 1HB PHE 53 -14.245 -3.335 14.286 417 HD1 PHE 53 HD1 PHE 53 -15.978 -5.582 14.150 418 HD2 PHE 53 HD2 PHE 53 -11.734 -5.555 14.825 419 HE1 PHE 53 HE1 PHE 53 -16.149 -7.762 15.313 420 HE2 PHE 53 HE2 PHE 53 -11.908 -7.743 15.991 421 HZ PHE 53 HZ PHE 53 -14.116 -8.843 16.231 422 HA PRO 54 HA PRO 54 -13.163 -7.357 9.875 423 1HB PRO 54 2HB PRO 54 -10.761 -8.033 11.320 424 2HB PRO 54 1HB PRO 54 -10.897 -7.382 9.685 425 1HG PRO 54 2HG PRO 54 -10.000 -6.030 12.065 426 2HG PRO 54 1HG PRO 54 -10.095 -5.393 10.425 427 1HD PRO 54 2HD PRO 54 -11.759 -4.720 12.663 428 2HD PRO 54 1HD PRO 54 -11.911 -4.132 10.992 429 H GLU 55 HN GLU 55 -15.081 -7.969 11.315 430 HA GLU 55 HA GLU 55 -15.148 -9.071 13.810 431 1HB GLU 55 2HB GLU 55 -17.011 -8.925 12.186 432 2HB GLU 55 1HB GLU 55 -16.330 -10.293 11.298 433 1HG GLU 55 2HG GLU 55 -16.529 -11.681 13.365 434 2HG GLU 55 1HG GLU 55 -17.308 -10.319 14.171 435 H GLU 56 HN GLU 56 -13.508 -10.471 11.026 436 HA GLU 56 HA GLU 56 -13.116 -13.130 11.907 437 1HB GLU 56 2HB GLU 56 -11.288 -11.175 10.467 438 2HB GLU 56 1HB GLU 56 -10.990 -12.910 10.560 439 1HG GLU 56 2HG GLU 56 -13.455 -11.603 9.366 440 2HG GLU 56 1HG GLU 56 -12.133 -12.328 8.451 441 H LEU 57 HN LEU 57 -12.038 -10.152 13.245 442 HA LEU 57 HA LEU 57 -9.830 -11.361 14.812 443 1HB LEU 57 2HB LEU 57 -11.022 -8.570 14.680 444 2HB LEU 57 1HB LEU 57 -9.550 -9.001 15.548 445 HG LEU 57 HG LEU 57 -9.982 -9.327 12.564 446 1HD1 LEU 57 2HD1 LEU 57 -9.706 -6.958 13.646 447 2HD1 LEU 57 1HD1 LEU 57 -8.028 -7.453 13.875 448 3HD1 LEU 57 3HD1 LEU 57 -8.714 -7.382 12.251 449 1HD2 LEU 57 1HD2 LEU 57 -8.431 -10.969 13.726 450 2HD2 LEU 57 3HD2 LEU 57 -7.674 -9.983 12.477 451 3HD2 LEU 57 2HD2 LEU 57 -7.434 -9.587 14.178 452 H LYS 58 HN LYS 58 -13.056 -11.547 15.062 453 HA LYS 58 HA LYS 58 -14.045 -10.581 17.422 454 1HB LYS 58 2HB LYS 58 -15.467 -11.987 16.245 455 2HB LYS 58 1HB LYS 58 -14.220 -13.202 15.983 456 1HG LYS 58 2HG LYS 58 -14.378 -13.952 18.278 457 2HG LYS 58 1HG LYS 58 -15.453 -12.615 18.689 458 1HD LYS 58 2HD LYS 58 -16.119 -14.719 16.613 459 2HD LYS 58 1HD LYS 58 -16.632 -14.818 18.297 460 1HE LYS 58 2HE LYS 58 -18.278 -13.270 17.985 461 2HE LYS 58 1HE LYS 58 -17.212 -12.212 17.042 462 1HZ LYS 58 3HZ LYS 58 -17.898 -14.772 15.834 463 2HZ LYS 58 2HZ LYS 58 -19.170 -13.651 15.945 464 3HZ LYS 58 1HZ LYS 58 -17.746 -13.245 15.113 465 HA PRO 59 HA PRO 59 -11.788 -14.147 19.902 466 1HB PRO 59 2HB PRO 59 -9.348 -14.605 18.441 467 2HB PRO 59 1HB PRO 59 -10.626 -15.763 18.819 468 1HG PRO 59 2HG PRO 59 -10.018 -14.522 16.276 469 2HG PRO 59 1HG PRO 59 -11.214 -15.772 16.629 470 1HD PRO 59 2HD PRO 59 -11.729 -13.054 15.965 471 2HD PRO 59 1HD PRO 59 -12.916 -14.254 16.521 472 H LEU 60 HN LEU 60 -9.732 -11.961 17.906 473 HA LEU 60 HA LEU 60 -7.815 -11.273 19.848 474 1HB LEU 60 2HB LEU 60 -8.500 -10.557 17.278 475 2HB LEU 60 1HB LEU 60 -8.816 -9.067 18.167 476 HG LEU 60 HG LEU 60 -6.409 -9.901 19.234 477 1HD1 LEU 60 3HD1 LEU 60 -6.763 -11.236 16.717 478 2HD1 LEU 60 2HD1 LEU 60 -5.482 -10.036 16.547 479 3HD1 LEU 60 1HD1 LEU 60 -5.366 -11.280 17.792 480 1HD2 LEU 60 3HD2 LEU 60 -7.223 -7.622 18.366 481 2HD2 LEU 60 2HD2 LEU 60 -5.510 -7.983 18.156 482 3HD2 LEU 60 1HD2 LEU 60 -6.616 -8.135 16.791 483 H CYS 61 HN CYS 61 -11.030 -9.795 19.268 484 HA CYS 61 HA CYS 61 -10.833 -7.773 21.286 485 1HB CYS 61 2HB CYS 61 -13.220 -9.259 20.134 486 2HB CYS 61 1HB CYS 61 -13.299 -7.723 20.997 487 H LYS 62 HN LYS 62 -11.628 -11.198 21.415 488 HA LYS 62 HA LYS 62 -12.619 -11.000 24.199 489 1HB LYS 62 2HB LYS 62 -12.231 -13.275 22.225 490 2HB LYS 62 1HB LYS 62 -12.957 -13.464 23.822 491 1HG LYS 62 2HG LYS 62 -14.661 -11.731 23.179 492 2HG LYS 62 1HG LYS 62 -13.986 -11.741 21.549 493 1HD LYS 62 2HD LYS 62 -14.436 -14.204 21.437 494 2HD LYS 62 1HD LYS 62 -15.236 -14.090 23.005 495 1HE LYS 62 2HE LYS 62 -16.357 -12.030 21.419 496 2HE LYS 62 1HE LYS 62 -16.310 -13.474 20.392 497 1HZ LYS 62 2HZ LYS 62 -17.177 -14.723 22.364 498 2HZ LYS 62 1HZ LYS 62 -17.444 -13.230 23.129 499 3HZ LYS 62 3HZ LYS 62 -18.277 -13.612 21.702 500 H GLU 63 HN GLU 63 -9.636 -10.929 22.845 501 HA GLU 63 HA GLU 63 -8.402 -12.698 24.920 502 1HB GLU 63 2HB GLU 63 -8.007 -12.207 22.092 503 2HB GLU 63 1HB GLU 63 -6.517 -11.888 22.981 504 1HG GLU 63 2HG GLU 63 -6.619 -14.089 24.019 505 2HG GLU 63 1HG GLU 63 -8.180 -14.407 23.254 506 HA PRO 64 HA PRO 64 -7.034 -8.983 26.920 507 1HB PRO 64 2HB PRO 64 -4.787 -10.399 28.027 508 2HB PRO 64 1HB PRO 64 -6.297 -9.961 28.830 509 1HG PRO 64 2HG PRO 64 -5.431 -12.572 28.007 510 2HG PRO 64 1HG PRO 64 -6.946 -12.133 28.799 511 1HD PRO 64 2HD PRO 64 -6.547 -12.946 26.053 512 2HD PRO 64 1HD PRO 64 -8.077 -12.520 26.857 513 H ASN 65 HN ASN 65 -5.092 -10.999 24.836 514 HA ASN 65 HA ASN 65 -2.806 -9.182 24.686 515 1HB ASN 65 2HB ASN 65 -3.724 -11.505 22.962 516 2HB ASN 65 1HB ASN 65 -2.115 -10.782 22.927 517 1HD2 ASN 65 1HD2 ASN 65 -2.466 -13.538 23.615 518 2HD2 ASN 65 2HD2 ASN 65 -2.073 -13.739 25.254 519 H ALA 66 HN ALA 66 -5.937 -9.178 23.283 520 HA ALA 66 HA ALA 66 -5.619 -8.294 20.659 521 1HB ALA 66 2HB ALA 66 -7.601 -8.362 22.628 522 2HB ALA 66 3HB ALA 66 -7.829 -7.876 20.949 523 3HB ALA 66 1HB ALA 66 -7.500 -6.660 22.182 524 H GLN 67 HN GLN 67 -5.093 -6.473 23.659 525 HA GLN 67 HA GLN 67 -4.775 -3.869 22.558 526 1HB GLN 67 2HB GLN 67 -4.973 -4.559 24.972 527 2HB GLN 67 1HB GLN 67 -3.312 -5.148 24.890 528 1HG GLN 67 2HG GLN 67 -2.573 -2.862 24.217 529 2HG GLN 67 1HG GLN 67 -4.231 -2.296 24.412 530 1HE2 GLN 67 1HE2 GLN 67 -4.626 -1.397 26.434 531 2HE2 GLN 67 2HE2 GLN 67 -3.810 -1.809 27.865 532 H GLU 68 HN GLU 68 -2.400 -6.492 23.058 533 HA GLU 68 HA GLU 68 -0.196 -4.928 21.927 534 1HB GLU 68 2HB GLU 68 -0.563 -7.852 22.661 535 2HB GLU 68 1HB GLU 68 0.981 -7.121 22.222 536 1HG GLU 68 2HG GLU 68 0.746 -5.530 24.111 537 2HG GLU 68 1HG GLU 68 -0.776 -6.301 24.557 538 H ILE 69 HN ILE 69 -2.349 -7.551 20.851 539 HA ILE 69 HA ILE 69 -1.091 -8.069 18.329 540 HB ILE 69 HB ILE 69 -3.988 -8.267 19.218 541 1HG1 ILE 69 2HG1 ILE 69 -1.819 -10.383 19.210 542 2HG1 ILE 69 1HG1 ILE 69 -2.292 -9.468 20.642 543 1HG2 ILE 69 1HG2 ILE 69 -2.506 -9.131 16.781 544 2HG2 ILE 69 3HG2 ILE 69 -3.672 -10.271 17.453 545 3HG2 ILE 69 2HG2 ILE 69 -4.196 -8.660 16.960 546 1HD1 ILE 69 1HD1 ILE 69 -4.641 -10.514 19.325 547 2HD1 ILE 69 3HD1 ILE 69 -3.499 -11.821 19.641 548 3HD1 ILE 69 2HD1 ILE 69 -4.071 -10.811 20.968 549 H LEU 70 HN LEU 70 -3.751 -5.875 19.253 550 HA LEU 70 HA LEU 70 -4.464 -4.866 16.733 551 1HB LEU 70 2HB LEU 70 -5.650 -4.339 18.785 552 2HB LEU 70 1HB LEU 70 -4.229 -3.536 19.450 553 HG LEU 70 HG LEU 70 -6.087 -2.052 18.406 554 1HD1 LEU 70 2HD1 LEU 70 -3.451 -1.654 18.831 555 2HD1 LEU 70 1HD1 LEU 70 -3.495 -1.442 17.081 556 3HD1 LEU 70 3HD1 LEU 70 -4.495 -0.424 18.117 557 1HD2 LEU 70 3HD2 LEU 70 -4.732 -3.176 15.937 558 2HD2 LEU 70 2HD2 LEU 70 -6.440 -3.303 16.356 559 3HD2 LEU 70 1HD2 LEU 70 -5.749 -1.736 15.933 560 H GLN 71 HN GLN 71 -2.009 -3.474 18.962 561 HA GLN 71 HA GLN 71 -1.041 -1.390 17.389 562 1HB GLN 71 2HB GLN 71 0.427 -3.385 19.143 563 2HB GLN 71 1HB GLN 71 1.105 -1.844 18.616 564 1HG GLN 71 2HG GLN 71 -0.737 -0.643 19.722 565 2HG GLN 71 1HG GLN 71 -1.444 -2.176 20.229 566 1HE2 GLN 71 1HE2 GLN 71 -0.653 -0.253 22.177 567 2HE2 GLN 71 2HE2 GLN 71 0.687 -0.854 23.026 568 H ARG 72 HN ARG 72 0.192 -4.757 17.361 569 HA ARG 72 HA ARG 72 2.057 -4.457 15.251 570 1HB ARG 72 2HB ARG 72 0.352 -6.816 16.114 571 2HB ARG 72 1HB ARG 72 1.795 -6.938 15.106 572 1HG ARG 72 2HG ARG 72 3.121 -5.879 16.930 573 2HG ARG 72 1HG ARG 72 1.675 -5.858 17.940 574 1HD ARG 72 2HD ARG 72 1.537 -8.371 17.649 575 2HD ARG 72 1HD ARG 72 3.123 -8.301 16.860 576 HE ARG 72 HE ARG 72 3.414 -6.837 19.231 577 1HH1 ARG 72 1HH1 ARG 72 2.182 -9.957 18.458 578 2HH1 ARG 72 2HH1 ARG 72 2.890 -10.728 19.837 579 1HH2 ARG 72 1HH2 ARG 72 4.470 -7.857 20.966 580 2HH2 ARG 72 2HH2 ARG 72 4.186 -9.540 21.256 581 H LEU 73 HN LEU 73 -1.189 -5.970 14.970 582 HA LEU 73 HA LEU 73 -1.382 -6.214 12.216 583 1HB LEU 73 2HB LEU 73 -3.492 -5.231 14.167 584 2HB LEU 73 1HB LEU 73 -3.821 -5.955 12.593 585 HG LEU 73 HG LEU 73 -2.479 -7.283 14.965 586 1HD1 LEU 73 3HD1 LEU 73 -5.147 -7.480 13.602 587 2HD1 LEU 73 2HD1 LEU 73 -4.467 -8.912 14.376 588 3HD1 LEU 73 1HD1 LEU 73 -4.775 -7.458 15.326 589 1HD2 LEU 73 3HD2 LEU 73 -2.311 -7.820 12.098 590 2HD2 LEU 73 2HD2 LEU 73 -1.383 -8.522 13.424 591 3HD2 LEU 73 1HD2 LEU 73 -2.956 -9.194 12.994 592 H GLU 74 HN GLU 74 -2.359 -3.301 14.068 593 HA GLU 74 HA GLU 74 -3.050 -1.639 11.900 594 1HB GLU 74 2HB GLU 74 -1.690 -0.970 14.529 595 2HB GLU 74 1HB GLU 74 -2.572 0.177 13.520 596 1HG GLU 74 2HG GLU 74 -3.782 -2.346 14.682 597 2HG GLU 74 1HG GLU 74 -3.941 -0.749 15.410 598 H GLU 75 HN GLU 75 0.167 -1.985 13.471 599 HA GLU 75 HA GLU 75 1.582 -0.098 11.924 600 1HB GLU 75 2HB GLU 75 2.322 -1.329 13.977 601 2HB GLU 75 1HB GLU 75 2.528 -2.776 12.990 602 1HG GLU 75 2HG GLU 75 4.687 -1.709 13.168 603 2HG GLU 75 1HG GLU 75 4.101 -1.445 11.526 604 H ILE 76 HN ILE 76 1.309 -3.631 11.331 605 HA ILE 76 HA ILE 76 2.708 -3.605 8.832 606 HB ILE 76 HB ILE 76 0.523 -5.447 9.858 607 1HG1 ILE 76 2HG1 ILE 76 2.224 -5.302 11.542 608 2HG1 ILE 76 1HG1 ILE 76 2.543 -6.786 10.646 609 1HG2 ILE 76 1HG2 ILE 76 2.760 -5.843 7.846 610 2HG2 ILE 76 3HG2 ILE 76 1.720 -7.131 8.452 611 3HG2 ILE 76 2HG2 ILE 76 1.032 -5.819 7.495 612 1HD1 ILE 76 2HD1 ILE 76 4.129 -5.405 9.193 613 2HD1 ILE 76 1HD1 ILE 76 3.964 -4.127 10.398 614 3HD1 ILE 76 3HD1 ILE 76 4.656 -5.684 10.854 615 H ALA 77 HN ALA 77 -0.706 -3.158 9.664 616 HA ALA 77 HA ALA 77 -1.837 -3.284 7.058 617 1HB ALA 77 1HB ALA 77 -2.680 -2.850 9.632 618 2HB ALA 77 2HB ALA 77 -3.705 -2.646 8.211 619 3HB ALA 77 3HB ALA 77 -2.898 -1.250 8.923 620 H GLU 78 HN GLU 78 -0.154 -0.679 8.753 621 HA GLU 78 HA GLU 78 -0.795 1.490 7.024 622 1HB GLU 78 2HB GLU 78 0.300 1.562 9.274 623 2HB GLU 78 1HB GLU 78 1.771 0.920 8.542 624 1HG GLU 78 2HG GLU 78 1.798 2.882 6.990 625 2HG GLU 78 1HG GLU 78 0.404 3.539 7.848 626 H ASP 79 HN ASP 79 1.769 -0.984 6.800 627 HA ASP 79 HA ASP 79 2.104 -0.292 3.929 628 1HB ASP 79 2HB ASP 79 4.670 -0.339 4.490 629 2HB ASP 79 1HB ASP 79 3.748 1.129 4.803 630 HA PRO 80 HA PRO 80 2.705 -4.598 3.367 631 1HB PRO 80 2HB PRO 80 4.977 -4.288 1.631 632 2HB PRO 80 1HB PRO 80 3.295 -4.576 1.179 633 1HG PRO 80 2HG PRO 80 4.814 -2.158 0.873 634 2HG PRO 80 1HG PRO 80 3.130 -2.446 0.425 635 1HD PRO 80 2HD PRO 80 4.136 -0.845 2.609 636 2HD PRO 80 1HD PRO 80 2.440 -1.130 2.153 637 H GLY 81 HN GLY 81 5.993 -3.126 3.285 638 1HA GLY 81 1HA GLY 81 6.749 -4.408 5.785 639 2HA GLY 81 2HA GLY 81 7.831 -3.529 4.705 640 H THR 82 HN THR 82 7.967 -6.298 6.029 641 HA THR 82 HA THR 82 9.149 -7.672 3.727 642 HB THR 82 HB THR 82 9.777 -9.301 5.464 643 HG1 THR 82 1HG THR 82 7.741 -9.161 6.571 644 1HG2 THR 82 2HG2 THR 82 10.264 -6.446 5.619 645 2HG2 THR 82 1HG2 THR 82 10.367 -7.190 7.215 646 3HG2 THR 82 3HG2 THR 82 11.380 -7.783 5.898 647 H CYS 83 HN CYS 83 6.122 -7.689 5.425 648 HA CYS 83 HA CYS 83 5.127 -10.283 4.976 649 1HB CYS 83 2HB CYS 83 4.084 -8.336 6.213 650 2HB CYS 83 1HB CYS 83 3.619 -7.672 4.648 651 H GLU 84 HN GLU 84 4.845 -7.453 2.796 652 HA GLU 84 HA GLU 84 3.553 -8.748 0.636 653 1HB GLU 84 2HB GLU 84 3.890 -6.304 0.996 654 2HB GLU 84 1HB GLU 84 5.595 -6.505 0.596 655 1HG GLU 84 2HG GLU 84 4.914 -7.431 -1.628 656 2HG GLU 84 1HG GLU 84 3.234 -7.077 -1.222 657 H ILE 85 HN ILE 85 7.016 -8.613 1.462 658 HA ILE 85 HA ILE 85 7.678 -10.066 -1.050 659 HB ILE 85 HB ILE 85 9.946 -9.446 -0.505 660 1HG1 ILE 85 2HG1 ILE 85 8.792 -8.847 2.225 661 2HG1 ILE 85 1HG1 ILE 85 10.070 -9.993 1.824 662 1HG2 ILE 85 3HG2 ILE 85 8.022 -7.236 0.281 663 2HG2 ILE 85 2HG2 ILE 85 9.706 -6.992 -0.179 664 3HG2 ILE 85 1HG2 ILE 85 8.552 -7.617 -1.357 665 1HD1 ILE 85 3HD1 ILE 85 11.174 -7.742 0.826 666 2HD1 ILE 85 2HD1 ILE 85 10.193 -7.033 2.109 667 3HD1 ILE 85 1HD1 ILE 85 11.407 -8.251 2.498 668 H CYS 86 HN CYS 86 6.401 -11.091 1.684 669 HA CYS 86 HA CYS 86 6.475 -13.126 2.885 670 1HB CYS 86 2HB CYS 86 7.319 -13.523 0.153 671 2HB CYS 86 1HB CYS 86 8.179 -14.645 1.208 672 H ALA 87 HN ALA 87 8.916 -11.070 2.841 673 HA ALA 87 HA ALA 87 11.266 -12.582 3.492 674 1HB ALA 87 2HB ALA 87 11.558 -10.219 4.807 675 2HB ALA 87 3HB ALA 87 10.235 -9.806 3.716 676 3HB ALA 87 1HB ALA 87 11.768 -10.383 3.065 677 H TYR 88 HN TYR 88 8.351 -12.020 5.223 678 HA TYR 88 HA TYR 88 9.573 -13.222 7.673 679 1HB TYR 88 2HB TYR 88 9.412 -10.710 7.788 680 2HB TYR 88 1HB TYR 88 7.666 -10.862 7.601 681 HD1 TYR 88 HD1 TYR 88 10.260 -12.719 9.590 682 HD2 TYR 88 HD2 TYR 88 6.558 -10.539 9.622 683 HE1 TYR 88 HE1 TYR 88 10.036 -13.134 12.023 684 HE2 TYR 88 HE2 TYR 88 6.335 -10.954 12.056 685 HH TYR 88 HH TYR 88 7.376 -12.978 13.675 686 H ALA 89 HN ALA 89 7.783 -14.023 9.170 687 HA ALA 89 HA ALA 89 5.859 -15.601 7.663 688 1HB ALA 89 3HB ALA 89 7.169 -16.004 9.914 689 2HB ALA 89 2HB ALA 89 5.796 -15.168 10.639 690 3HB ALA 89 1HB ALA 89 5.542 -16.658 9.730 691 H ALA 90 HN ALA 90 5.799 -12.390 8.414 692 HA ALA 90 HA ALA 90 3.227 -11.947 9.575 693 1HB ALA 90 2HB ALA 90 5.146 -10.419 7.832 694 2HB ALA 90 1HB ALA 90 3.579 -9.717 8.237 695 3HB ALA 90 3HB ALA 90 4.717 -10.133 9.518 696 H CYS 91 HN CYS 91 4.250 -12.404 6.196 697 HA CYS 91 HA CYS 91 1.410 -12.146 5.315 698 1HB CYS 91 2HB CYS 91 4.030 -11.516 4.269 699 2HB CYS 91 1HB CYS 91 3.156 -12.544 3.135 700 H THR 92 HN THR 92 0.293 -14.037 5.094 701 HA THR 92 HA THR 92 1.838 -16.552 4.575 702 HB THR 92 HB THR 92 0.078 -17.649 5.782 703 HG1 THR 92 1HG THR 92 -1.661 -16.013 6.506 704 1HG2 THR 92 1HG2 THR 92 1.689 -15.863 6.964 705 2HG2 THR 92 3HG2 THR 92 0.138 -15.112 7.343 706 3HG2 THR 92 2HG2 THR 92 0.470 -16.762 7.868 707 H GLY 93 HN GLY 93 0.605 -18.174 3.212 708 1HA GLY 93 1HA GLY 93 -1.378 -16.987 1.361 709 2HA GLY 93 2HA GLY 93 -0.970 -18.700 1.474 710 H CYS 94 HN CYS 94 1.562 -16.294 1.339 711 HA CYS 94 HA CYS 94 1.922 -16.422 -1.556 712 1HB CYS 94 2HB CYS 94 3.974 -15.121 -0.956 713 2HB CYS 94 1HB CYS 94 2.513 -14.454 -0.230 No H/Q in entry = 713 Start of MODEL 5 1 H1 VAL 1 2H VAL 1 -2.445 -12.367 0.520 2 H2 VAL 1 1H VAL 1 -2.486 -10.981 -0.461 3 H3 VAL 1 3H VAL 1 -1.262 -12.135 -0.678 4 HA VAL 1 HA VAL 1 -0.173 -11.550 1.300 5 HB VAL 1 HB VAL 1 -1.352 -9.208 -0.214 6 1HG1 VAL 1 2HG1 VAL 1 -0.031 -9.087 2.272 7 2HG1 VAL 1 1HG1 VAL 1 1.188 -8.664 1.070 8 3HG1 VAL 1 3HG1 VAL 1 -0.318 -7.750 1.159 9 1HG2 VAL 1 3HG2 VAL 1 0.602 -11.180 -0.800 10 2HG2 VAL 1 2HG2 VAL 1 0.195 -9.754 -1.754 11 3HG2 VAL 1 1HG2 VAL 1 1.470 -9.667 -0.539 12 H THR 2 HN THR 2 -1.661 -12.354 3.031 13 HA THR 2 HA THR 2 -3.216 -10.125 4.310 14 HB THR 2 HB THR 2 -3.611 -13.127 4.530 15 HG1 THR 2 1HG THR 2 -5.272 -11.352 3.121 16 1HG2 THR 2 3HG2 THR 2 -4.447 -11.635 6.400 17 2HG2 THR 2 2HG2 THR 2 -5.501 -10.863 5.214 18 3HG2 THR 2 1HG2 THR 2 -5.698 -12.576 5.587 19 H VAL 3 HN VAL 3 -2.917 -9.841 6.561 20 HA VAL 3 HA VAL 3 -0.406 -10.969 7.647 21 HB VAL 3 HB VAL 3 -2.138 -8.629 8.010 22 1HG1 VAL 3 3HG1 VAL 3 -1.151 -10.174 10.395 23 2HG1 VAL 3 2HG1 VAL 3 -1.206 -8.413 10.455 24 3HG1 VAL 3 1HG1 VAL 3 -2.685 -9.333 10.177 25 1HG2 VAL 3 1HG2 VAL 3 0.751 -9.387 8.246 26 2HG2 VAL 3 3HG2 VAL 3 0.002 -8.149 7.239 27 3HG2 VAL 3 2HG2 VAL 3 0.209 -7.872 8.970 28 H GLN 4 HN GLN 4 -0.501 -12.840 8.801 29 HA GLN 4 HA GLN 4 -3.055 -13.503 10.225 30 1HB GLN 4 2HB GLN 4 -2.312 -15.006 8.400 31 2HB GLN 4 1HB GLN 4 -0.777 -15.251 9.233 32 1HG GLN 4 2HG GLN 4 -1.978 -16.206 11.167 33 2HG GLN 4 1HG GLN 4 -3.514 -15.956 10.338 34 1HE2 GLN 4 1HE2 GLN 4 -3.133 -18.552 10.943 35 2HE2 GLN 4 2HE2 GLN 4 -2.609 -19.456 9.606 36 H ASP 5 HN ASP 5 -2.979 -13.554 12.418 37 HA ASP 5 HA ASP 5 -0.370 -13.212 13.789 38 1HB ASP 5 2HB ASP 5 -3.272 -13.091 14.664 39 2HB ASP 5 1HB ASP 5 -1.908 -12.767 15.734 40 H GLY 6 HN GLY 6 -3.199 -14.946 15.015 41 1HA GLY 6 1HA GLY 6 -3.078 -16.923 16.377 42 2HA GLY 6 2HA GLY 6 -1.422 -17.170 15.826 43 H ASN 7 HN ASN 7 -4.329 -18.578 15.662 44 HA ASN 7 HA ASN 7 -3.657 -20.049 13.204 45 1HB ASN 7 2HB ASN 7 -5.957 -20.256 15.174 46 2HB ASN 7 1HB ASN 7 -5.530 -21.468 13.966 47 1HD2 ASN 7 1HD2 ASN 7 -2.580 -20.960 14.409 48 2HD2 ASN 7 2HD2 ASN 7 -2.215 -21.720 15.882 49 H PHE 8 HN PHE 8 -5.045 -17.134 13.581 50 HA PHE 8 HA PHE 8 -7.115 -17.615 11.461 51 1HB PHE 8 2HB PHE 8 -6.945 -15.551 13.680 52 2HB PHE 8 1HB PHE 8 -8.242 -15.642 12.489 53 HD1 PHE 8 HD1 PHE 8 -9.744 -17.642 12.427 54 HD2 PHE 8 HD2 PHE 8 -6.840 -17.066 15.539 55 HE1 PHE 8 HE1 PHE 8 -10.901 -19.336 13.821 56 HE2 PHE 8 HE2 PHE 8 -7.997 -18.760 16.933 57 HZ PHE 8 HZ PHE 8 -10.028 -19.895 16.074 58 H SER 9 HN SER 9 -6.926 -16.376 9.602 59 HA SER 9 HA SER 9 -4.502 -14.715 9.290 60 1HB SER 9 2HB SER 9 -5.276 -16.438 7.641 61 2HB SER 9 1HB SER 9 -6.715 -15.460 7.349 62 HG SER 9 HG SER 9 -4.331 -15.220 6.244 63 H PHE 10 HN PHE 10 -4.550 -12.496 9.377 64 HA PHE 10 HA PHE 10 -7.236 -11.157 9.316 65 1HB PHE 10 2HB PHE 10 -4.674 -10.420 10.767 66 2HB PHE 10 1HB PHE 10 -6.211 -9.564 10.897 67 HD1 PHE 10 HD1 PHE 10 -7.915 -12.176 10.721 68 HD2 PHE 10 HD2 PHE 10 -4.561 -11.003 13.135 69 HE1 PHE 10 HE1 PHE 10 -8.640 -13.750 12.495 70 HE2 PHE 10 HE2 PHE 10 -5.286 -12.577 14.908 71 HZ PHE 10 HZ PHE 10 -7.327 -13.950 14.589 72 H SER 11 HN SER 11 -7.493 -9.721 7.637 73 HA SER 11 HA SER 11 -5.298 -9.108 5.825 74 1HB SER 11 2HB SER 11 -7.662 -9.435 5.153 75 2HB SER 11 1HB SER 11 -8.118 -8.007 6.083 76 HG SER 11 HG SER 11 -6.323 -8.095 3.889 77 H LEU 12 HN LEU 12 -4.861 -6.727 5.241 78 HA LEU 12 HA LEU 12 -4.469 -5.192 7.767 79 1HB LEU 12 2HB LEU 12 -3.255 -4.920 5.000 80 2HB LEU 12 1HB LEU 12 -2.731 -4.053 6.444 81 HG LEU 12 HG LEU 12 -2.662 -7.056 6.024 82 1HD1 LEU 12 2HD1 LEU 12 -0.907 -5.539 4.912 83 2HD1 LEU 12 1HD1 LEU 12 -0.359 -5.170 6.547 84 3HD1 LEU 12 3HD1 LEU 12 -0.295 -6.829 5.949 85 1HD2 LEU 12 2HD2 LEU 12 -2.408 -5.322 8.432 86 2HD2 LEU 12 1HD2 LEU 12 -2.985 -6.983 8.299 87 3HD2 LEU 12 3HD2 LEU 12 -1.255 -6.646 8.282 88 H GLU 13 HN GLU 13 -6.647 -5.270 5.213 89 HA GLU 13 HA GLU 13 -6.898 -2.430 4.651 90 1HB GLU 13 2HB GLU 13 -8.825 -4.753 4.325 91 2HB GLU 13 1HB GLU 13 -8.965 -3.186 3.528 92 1HG GLU 13 2HG GLU 13 -6.844 -3.552 2.366 93 2HG GLU 13 1HG GLU 13 -6.611 -5.075 3.225 94 H SER 14 HN SER 14 -9.418 -4.504 6.087 95 HA SER 14 HA SER 14 -10.999 -2.602 7.298 96 1HB SER 14 2HB SER 14 -10.166 -5.179 8.647 97 2HB SER 14 1HB SER 14 -11.743 -4.391 8.709 98 HG SER 14 HG SER 14 -11.547 -4.690 6.264 99 H VAL 15 HN VAL 15 -8.001 -3.974 8.699 100 HA VAL 15 HA VAL 15 -8.198 -2.558 11.190 101 HB VAL 15 HB VAL 15 -5.680 -3.067 11.198 102 1HG1 VAL 15 2HG1 VAL 15 -7.880 -4.603 11.714 103 2HG1 VAL 15 1HG1 VAL 15 -7.047 -5.602 10.521 104 3HG1 VAL 15 3HG1 VAL 15 -6.221 -5.130 12.006 105 1HG2 VAL 15 1HG2 VAL 15 -5.445 -3.037 8.706 106 2HG2 VAL 15 3HG2 VAL 15 -4.851 -4.525 9.437 107 3HG2 VAL 15 2HG2 VAL 15 -6.418 -4.505 8.631 108 H LYS 16 HN LYS 16 -6.483 -1.779 8.132 109 HA LYS 16 HA LYS 16 -5.265 0.638 8.929 110 1HB LYS 16 2HB LYS 16 -4.895 -0.420 6.763 111 2HB LYS 16 1HB LYS 16 -6.591 -0.207 6.330 112 1HG LYS 16 2HG LYS 16 -6.241 2.289 6.581 113 2HG LYS 16 1HG LYS 16 -4.515 1.961 6.738 114 1HD LYS 16 2HD LYS 16 -4.490 0.896 4.531 115 2HD LYS 16 1HD LYS 16 -6.231 1.130 4.378 116 1HE LYS 16 2HE LYS 16 -4.369 3.471 4.843 117 2HE LYS 16 1HE LYS 16 -4.737 2.881 3.211 118 1HZ LYS 16 3HZ LYS 16 -7.164 2.884 4.238 119 2HZ LYS 16 2HZ LYS 16 -6.500 4.125 5.188 120 3HZ LYS 16 1HZ LYS 16 -6.510 4.262 3.495 121 H LYS 17 HN LYS 17 -8.549 0.084 7.639 122 HA LYS 17 HA LYS 17 -9.360 2.869 8.045 123 1HB LYS 17 2HB LYS 17 -10.174 1.351 6.228 124 2HB LYS 17 1HB LYS 17 -10.956 0.353 7.455 125 1HG LYS 17 2HG LYS 17 -12.673 1.798 6.686 126 2HG LYS 17 1HG LYS 17 -12.137 2.521 8.202 127 1HD LYS 17 2HD LYS 17 -10.725 4.102 6.994 128 2HD LYS 17 1HD LYS 17 -11.129 3.333 5.460 129 1HE LYS 17 2HE LYS 17 -13.383 4.095 5.546 130 2HE LYS 17 1HE LYS 17 -13.264 4.488 7.273 131 1HZ LYS 17 1HZ LYS 17 -11.390 5.713 5.358 132 2HZ LYS 17 3HZ LYS 17 -12.952 6.357 5.505 133 3HZ LYS 17 2HZ LYS 17 -11.926 6.302 6.859 134 H LEU 18 HN LEU 18 -8.855 0.324 10.160 135 HA LEU 18 HA LEU 18 -11.176 0.402 11.848 136 1HB LEU 18 2HB LEU 18 -9.432 -1.362 11.775 137 2HB LEU 18 1HB LEU 18 -8.256 -0.214 12.412 138 HG LEU 18 HG LEU 18 -9.691 0.058 14.441 139 1HD1 LEU 18 2HD1 LEU 18 -11.804 -0.674 13.259 140 2HD1 LEU 18 1HD1 LEU 18 -11.196 -2.329 13.333 141 3HD1 LEU 18 3HD1 LEU 18 -11.541 -1.448 14.822 142 1HD2 LEU 18 1HD2 LEU 18 -7.810 -1.764 14.008 143 2HD2 LEU 18 3HD2 LEU 18 -8.779 -1.813 15.481 144 3HD2 LEU 18 2HD2 LEU 18 -9.169 -2.882 14.133 145 H LYS 19 HN LYS 19 -8.095 2.206 11.875 146 HA LYS 19 HA LYS 19 -8.392 3.590 14.327 147 1HB LYS 19 2HB LYS 19 -6.387 3.506 12.840 148 2HB LYS 19 1HB LYS 19 -7.222 4.561 11.698 149 1HG LYS 19 2HG LYS 19 -7.432 6.280 13.494 150 2HG LYS 19 1HG LYS 19 -6.500 5.235 14.567 151 1HD LYS 19 2HD LYS 19 -4.617 5.287 12.945 152 2HD LYS 19 1HD LYS 19 -5.546 6.387 11.927 153 1HE LYS 19 2HE LYS 19 -4.520 8.039 13.135 154 2HE LYS 19 1HE LYS 19 -5.676 7.613 14.412 155 1HZ LYS 19 3HZ LYS 19 -3.217 6.025 14.039 156 2HZ LYS 19 2HZ LYS 19 -3.149 7.483 14.909 157 3HZ LYS 19 1HZ LYS 19 -4.157 6.220 15.437 158 H ASP 20 HN ASP 20 -9.518 4.513 11.059 159 HA ASP 20 HA ASP 20 -11.280 6.574 12.346 160 1HB ASP 20 2HB ASP 20 -9.450 7.390 10.858 161 2HB ASP 20 1HB ASP 20 -10.126 6.432 9.540 162 H LEU 21 HN LEU 21 -12.673 4.470 12.580 163 HA LEU 21 HA LEU 21 -13.804 3.072 10.415 164 1HB LEU 21 2HB LEU 21 -14.031 2.715 12.923 165 2HB LEU 21 1HB LEU 21 -15.247 3.993 12.915 166 HG LEU 21 HG LEU 21 -16.464 2.665 11.120 167 1HD1 LEU 21 1HD1 LEU 21 -14.188 1.267 10.867 168 2HD1 LEU 21 3HD1 LEU 21 -14.993 0.245 12.058 169 3HD1 LEU 21 2HD1 LEU 21 -15.761 0.559 10.502 170 1HD2 LEU 21 3HD2 LEU 21 -16.790 2.624 13.748 171 2HD2 LEU 21 2HD2 LEU 21 -17.667 1.488 12.724 172 3HD2 LEU 21 1HD2 LEU 21 -16.214 0.966 13.578 173 H GLN 22 HN GLN 22 -15.004 6.091 11.940 174 HA GLN 22 HA GLN 22 -16.609 7.646 11.145 175 1HB GLN 22 2HB GLN 22 -14.441 7.415 9.496 176 2HB GLN 22 1HB GLN 22 -15.752 7.093 8.362 177 1HG GLN 22 2HG GLN 22 -16.882 9.191 9.263 178 2HG GLN 22 1HG GLN 22 -15.369 9.543 10.099 179 1HE2 GLN 22 1HE2 GLN 22 -14.235 11.074 8.898 180 2HE2 GLN 22 2HE2 GLN 22 -14.081 11.070 7.208 181 H GLU 23 HN GLU 23 -18.221 7.827 9.003 182 HA GLU 23 HA GLU 23 -20.286 5.970 9.354 183 1HB GLU 23 2HB GLU 23 -21.081 6.830 7.178 184 2HB GLU 23 1HB GLU 23 -20.408 8.138 8.151 185 1HG GLU 23 2HG GLU 23 -18.230 7.837 6.943 186 2HG GLU 23 1HG GLU 23 -19.022 6.658 5.897 187 HA PRO 24 HA PRO 24 -18.888 2.183 7.588 188 1HB PRO 24 2HB PRO 24 -21.490 1.592 6.512 189 2HB PRO 24 1HB PRO 24 -20.752 0.960 7.987 190 1HG PRO 24 2HG PRO 24 -22.899 2.861 7.753 191 2HG PRO 24 1HG PRO 24 -22.176 2.213 9.228 192 1HD PRO 24 2HD PRO 24 -21.910 4.876 8.157 193 2HD PRO 24 1HD PRO 24 -21.154 4.213 9.625 194 H GLN 25 HN GLN 25 -17.922 1.778 5.613 195 HA GLN 25 HA GLN 25 -19.218 2.358 3.073 196 1HB GLN 25 2HB GLN 25 -18.558 4.616 3.987 197 2HB GLN 25 1HB GLN 25 -16.876 4.089 3.922 198 1HG GLN 25 2HG GLN 25 -17.176 3.632 1.473 199 2HG GLN 25 1HG GLN 25 -18.790 4.330 1.583 200 1HE2 GLN 25 1HE2 GLN 25 -17.291 6.158 3.789 201 2HE2 GLN 25 2HE2 GLN 25 -16.651 7.392 2.815 202 H GLU 26 HN GLU 26 -18.076 -0.008 3.980 203 HA GLU 26 HA GLU 26 -15.606 -0.191 2.288 204 1HB GLU 26 2HB GLU 26 -15.727 -0.343 5.035 205 2HB GLU 26 1HB GLU 26 -15.831 -2.040 4.570 206 1HG GLU 26 2HG GLU 26 -13.649 -0.055 3.909 207 2HG GLU 26 1HG GLU 26 -13.500 -1.592 4.761 208 HA PRO 27 HA PRO 27 -19.107 -3.359 1.435 209 1HB PRO 27 2HB PRO 27 -19.209 -2.327 -1.248 210 2HB PRO 27 1HB PRO 27 -20.480 -2.292 -0.022 211 1HG PRO 27 2HG PRO 27 -18.886 -0.098 -0.991 212 2HG PRO 27 1HG PRO 27 -20.185 -0.057 0.203 213 1HD PRO 27 2HD PRO 27 -17.363 0.262 0.669 214 2HD PRO 27 1HD PRO 27 -18.670 0.240 1.876 215 H ARG 28 HN ARG 28 -16.323 -2.086 -0.317 216 HA ARG 28 HA ARG 28 -15.538 -4.884 -1.023 217 1HB ARG 28 2HB ARG 28 -15.601 -2.445 -2.831 218 2HB ARG 28 1HB ARG 28 -14.913 -4.006 -3.279 219 1HG ARG 28 2HG ARG 28 -17.128 -5.068 -2.879 220 2HG ARG 28 1HG ARG 28 -17.801 -3.479 -2.512 221 1HD ARG 28 2HD ARG 28 -16.533 -4.290 -5.156 222 2HD ARG 28 1HD ARG 28 -18.267 -4.052 -4.863 223 HE ARG 28 HE ARG 28 -16.199 -1.910 -4.865 224 1HH1 ARG 28 1HH1 ARG 28 -18.922 -2.245 -6.403 225 2HH1 ARG 28 2HH1 ARG 28 -19.831 -0.977 -5.650 226 1HH2 ARG 28 1HH2 ARG 28 -17.592 -0.571 -3.032 227 2HH2 ARG 28 2HH2 ARG 28 -19.077 -0.029 -3.741 228 H VAL 29 HN VAL 29 -13.142 -4.790 -1.864 229 HA VAL 29 HA VAL 29 -11.625 -2.769 -0.243 230 HB VAL 29 HB VAL 29 -10.037 -4.610 0.202 231 1HG1 VAL 29 2HG1 VAL 29 -12.957 -4.950 0.825 232 2HG1 VAL 29 1HG1 VAL 29 -11.810 -6.184 1.348 233 3HG1 VAL 29 3HG1 VAL 29 -11.631 -4.520 1.906 234 1HG2 VAL 29 2HG2 VAL 29 -10.656 -5.747 -2.040 235 2HG2 VAL 29 1HG2 VAL 29 -10.332 -6.794 -0.657 236 3HG2 VAL 29 3HG2 VAL 29 -11.995 -6.469 -1.147 237 H GLY 30 HN GLY 30 -9.506 -2.207 -1.144 238 1HA GLY 30 1HA GLY 30 -8.416 -1.306 -3.066 239 2HA GLY 30 2HA GLY 30 -9.520 -2.222 -4.091 240 H LYS 31 HN LYS 31 -7.087 -2.463 -4.997 241 HA LYS 31 HA LYS 31 -6.391 -5.232 -4.724 242 1HB LYS 31 2HB LYS 31 -4.906 -2.820 -5.819 243 2HB LYS 31 1HB LYS 31 -4.424 -4.493 -6.098 244 1HG LYS 31 2HG LYS 31 -6.589 -4.952 -7.175 245 2HG LYS 31 1HG LYS 31 -7.103 -3.293 -6.867 246 1HD LYS 31 2HD LYS 31 -6.311 -3.394 -9.146 247 2HD LYS 31 1HD LYS 31 -5.100 -2.523 -8.205 248 1HE LYS 31 2HE LYS 31 -3.691 -4.494 -8.070 249 2HE LYS 31 1HE LYS 31 -4.952 -5.497 -8.812 250 1HZ LYS 31 2HZ LYS 31 -4.188 -3.053 -10.217 251 2HZ LYS 31 1HZ LYS 31 -3.059 -4.323 -10.241 252 3HZ LYS 31 3HZ LYS 31 -4.624 -4.571 -10.845 253 H LEU 32 HN LEU 32 -4.997 -2.263 -3.333 254 HA LEU 32 HA LEU 32 -3.842 -3.801 -1.114 255 1HB LEU 32 2HB LEU 32 -2.255 -4.108 -3.014 256 2HB LEU 32 1HB LEU 32 -2.079 -2.356 -3.120 257 HG LEU 32 HG LEU 32 -1.363 -2.396 -0.680 258 1HD1 LEU 32 2HD1 LEU 32 -2.015 -5.199 -1.096 259 2HD1 LEU 32 1HD1 LEU 32 -0.357 -5.010 -0.527 260 3HD1 LEU 32 3HD1 LEU 32 -1.693 -4.343 0.412 261 1HD2 LEU 32 2HD2 LEU 32 0.180 -2.329 -2.721 262 2HD2 LEU 32 1HD2 LEU 32 0.905 -2.910 -1.222 263 3HD2 LEU 32 3HD2 LEU 32 0.422 -4.058 -2.470 264 H ARG 33 HN ARG 33 -3.723 -2.466 0.673 265 HA ARG 33 HA ARG 33 -3.839 0.495 0.206 266 1HB ARG 33 2HB ARG 33 -5.375 -1.322 2.077 267 2HB ARG 33 1HB ARG 33 -5.308 0.425 2.313 268 1HG ARG 33 2HG ARG 33 -6.094 0.647 -0.108 269 2HG ARG 33 1HG ARG 33 -6.431 -1.083 -0.060 270 1HD ARG 33 2HD ARG 33 -7.916 -0.703 1.920 271 2HD ARG 33 1HD ARG 33 -7.641 1.041 1.748 272 HE ARG 33 HE ARG 33 -8.784 -0.623 -0.473 273 1HH1 ARG 33 1HH1 ARG 33 -10.336 1.025 1.737 274 2HH1 ARG 33 2HH1 ARG 33 -10.826 2.379 0.774 275 1HH2 ARG 33 1HH2 ARG 33 -8.678 1.633 -1.843 276 2HH2 ARG 33 2HH2 ARG 33 -9.887 2.723 -1.253 277 H ASN 34 HN ASN 34 -2.326 1.637 1.369 278 HA ASN 34 HA ASN 34 -1.164 0.470 3.840 279 1HB ASN 34 2HB ASN 34 0.413 1.216 1.355 280 2HB ASN 34 1HB ASN 34 1.119 0.717 2.892 281 1HD2 ASN 34 1HD2 ASN 34 -0.213 -1.476 3.694 282 2HD2 ASN 34 2HD2 ASN 34 -0.243 -2.689 2.508 283 H PHE 35 HN PHE 35 -2.826 2.734 3.634 284 HA PHE 35 HA PHE 35 -0.937 5.050 3.816 285 1HB PHE 35 2HB PHE 35 -3.959 4.953 3.541 286 2HB PHE 35 1HB PHE 35 -2.939 6.384 3.379 287 HD1 PHE 35 HD1 PHE 35 -0.637 4.857 1.939 288 HD2 PHE 35 HD2 PHE 35 -4.877 5.074 1.288 289 HE1 PHE 35 HE1 PHE 35 -0.296 4.337 -0.463 290 HE2 PHE 35 HE2 PHE 35 -4.536 4.555 -1.113 291 HZ PHE 35 HZ PHE 35 -2.245 4.187 -1.988 292 H ALA 36 HN ALA 36 -2.141 2.821 5.845 293 HA ALA 36 HA ALA 36 -3.534 4.162 7.908 294 1HB ALA 36 1HB ALA 36 -3.234 2.151 8.950 295 2HB ALA 36 3HB ALA 36 -2.545 1.659 7.403 296 3HB ALA 36 2HB ALA 36 -1.486 2.186 8.712 297 HA PRO 37 HA PRO 37 -0.401 7.102 9.136 298 1HB PRO 37 2HB PRO 37 -1.892 7.566 11.550 299 2HB PRO 37 1HB PRO 37 -1.813 8.580 10.108 300 1HG PRO 37 2HG PRO 37 -4.014 6.979 11.014 301 2HG PRO 37 1HG PRO 37 -3.929 7.981 9.565 302 1HD PRO 37 2HD PRO 37 -3.905 5.094 9.738 303 2HD PRO 37 1HD PRO 37 -3.849 6.103 8.273 304 H ILE 38 HN ILE 38 -1.732 5.876 12.181 305 HA ILE 38 HA ILE 38 0.511 4.067 12.697 306 HB ILE 38 HB ILE 38 0.484 6.929 13.493 307 1HG1 ILE 38 2HG1 ILE 38 3.015 5.631 13.738 308 2HG1 ILE 38 1HG1 ILE 38 2.230 5.016 12.283 309 1HG2 ILE 38 2HG2 ILE 38 0.097 5.686 15.661 310 2HG2 ILE 38 1HG2 ILE 38 1.619 4.843 15.377 311 3HG2 ILE 38 3HG2 ILE 38 1.609 6.591 15.602 312 1HD1 ILE 38 1HD1 ILE 38 1.808 7.340 11.538 313 2HD1 ILE 38 3HD1 ILE 38 2.617 7.944 12.984 314 3HD1 ILE 38 2HD1 ILE 38 3.531 7.046 11.772 315 HA PRO 39 HA PRO 39 -2.425 2.324 15.471 316 1HB PRO 39 2HB PRO 39 -0.411 1.675 17.423 317 2HB PRO 39 1HB PRO 39 -1.167 0.604 16.241 318 1HG PRO 39 2HG PRO 39 1.513 1.682 16.223 319 2HG PRO 39 1HG PRO 39 0.784 0.546 15.085 320 1HD PRO 39 2HD PRO 39 1.455 3.286 14.604 321 2HD PRO 39 1HD PRO 39 0.591 2.184 13.507 322 H GLY 40 HN GLY 40 -3.650 3.129 17.177 323 1HA GLY 40 1HA GLY 40 -4.295 5.050 18.488 324 2HA GLY 40 2HA GLY 40 -2.603 5.536 18.558 325 H GLU 41 HN GLU 41 -4.891 3.105 19.757 326 HA GLU 41 HA GLU 41 -3.000 2.335 21.913 327 1HB GLU 41 2HB GLU 41 -5.353 4.123 22.127 328 2HB GLU 41 1HB GLU 41 -5.245 2.875 23.369 329 1HG GLU 41 2HG GLU 41 -2.631 3.952 23.016 330 2HG GLU 41 1HG GLU 41 -3.745 5.312 23.160 331 HA PRO 42 HA PRO 42 -4.931 -1.587 21.481 332 1HB PRO 42 2HB PRO 42 -4.884 -2.109 24.310 333 2HB PRO 42 1HB PRO 42 -3.761 -2.691 23.078 334 1HG PRO 42 2HG PRO 42 -3.285 -0.713 25.106 335 2HG PRO 42 1HG PRO 42 -2.164 -1.293 23.872 336 1HD PRO 42 2HD PRO 42 -3.478 1.276 24.009 337 2HD PRO 42 1HD PRO 42 -2.344 0.694 22.768 338 H VAL 43 HN VAL 43 -7.065 -2.323 21.508 339 HA VAL 43 HA VAL 43 -8.956 -1.797 23.612 340 HB VAL 43 HB VAL 43 -8.610 0.502 22.735 341 1HG1 VAL 43 2HG1 VAL 43 -8.681 -0.882 20.239 342 2HG1 VAL 43 1HG1 VAL 43 -10.022 0.264 20.256 343 3HG1 VAL 43 3HG1 VAL 43 -8.373 0.830 20.523 344 1HG2 VAL 43 3HG2 VAL 43 -11.275 -0.848 22.294 345 2HG2 VAL 43 2HG2 VAL 43 -10.769 0.154 23.654 346 3HG2 VAL 43 1HG2 VAL 43 -11.077 0.890 22.081 347 H VAL 44 HN VAL 44 -8.869 -4.169 22.767 348 HA VAL 44 HA VAL 44 -10.927 -4.485 20.606 349 HB VAL 44 HB VAL 44 -8.761 -5.061 19.714 350 1HG1 VAL 44 1HG1 VAL 44 -7.588 -5.251 21.881 351 2HG1 VAL 44 3HG1 VAL 44 -8.422 -6.772 22.197 352 3HG1 VAL 44 2HG1 VAL 44 -7.271 -6.658 20.866 353 1HG2 VAL 44 2HG2 VAL 44 -10.819 -7.015 20.138 354 2HG2 VAL 44 1HG2 VAL 44 -9.709 -6.873 18.775 355 3HG2 VAL 44 3HG2 VAL 44 -9.253 -7.825 20.188 356 HA PRO 45 HA PRO 45 -12.047 -6.522 24.712 357 1HB PRO 45 2HB PRO 45 -14.673 -5.423 24.298 358 2HB PRO 45 1HB PRO 45 -13.511 -5.015 25.562 359 1HG PRO 45 2HG PRO 45 -14.287 -3.427 23.298 360 2HG PRO 45 1HG PRO 45 -13.125 -3.017 24.562 361 1HD PRO 45 2HD PRO 45 -12.581 -3.697 21.809 362 2HD PRO 45 1HD PRO 45 -11.410 -3.286 23.084 363 H ILE 46 HN ILE 46 -13.782 -8.212 24.939 364 HA ILE 46 HA ILE 46 -13.956 -10.031 22.832 365 HB ILE 46 HB ILE 46 -15.932 -9.410 25.053 366 1HG1 ILE 46 2HG1 ILE 46 -13.686 -11.442 24.896 367 2HG1 ILE 46 1HG1 ILE 46 -13.572 -9.895 25.736 368 1HG2 ILE 46 2HG2 ILE 46 -15.650 -11.756 23.172 369 2HG2 ILE 46 1HG2 ILE 46 -16.418 -11.926 24.751 370 3HG2 ILE 46 3HG2 ILE 46 -17.100 -10.828 23.552 371 1HD1 ILE 46 2HD1 ILE 46 -15.763 -11.886 26.344 372 2HD1 ILE 46 1HD1 ILE 46 -14.203 -11.938 27.164 373 3HD1 ILE 46 3HD1 ILE 46 -15.234 -10.517 27.322 374 H LEU 47 HN LEU 47 -16.243 -7.401 23.614 375 HA LEU 47 HA LEU 47 -17.959 -8.029 21.313 376 1HB LEU 47 2HB LEU 47 -17.865 -5.639 23.186 377 2HB LEU 47 1HB LEU 47 -19.219 -6.100 22.153 378 HG LEU 47 HG LEU 47 -18.085 -7.709 24.461 379 1HD1 LEU 47 1HD1 LEU 47 -20.205 -5.733 24.197 380 2HD1 LEU 47 3HD1 LEU 47 -20.835 -7.278 24.766 381 3HD1 LEU 47 2HD1 LEU 47 -19.544 -6.470 25.656 382 1HD2 LEU 47 3HD2 LEU 47 -20.226 -8.327 22.411 383 2HD2 LEU 47 2HD2 LEU 47 -18.774 -9.264 22.768 384 3HD2 LEU 47 1HD2 LEU 47 -20.088 -9.191 23.942 385 H CYS 48 HN CYS 48 -14.990 -6.512 21.648 386 HA CYS 48 HA CYS 48 -13.744 -5.123 20.205 387 1HB CYS 48 2HB CYS 48 -15.947 -6.325 18.591 388 2HB CYS 48 1HB CYS 48 -15.037 -5.007 17.854 389 H SER 49 HN SER 49 -13.632 -2.917 20.305 390 HA SER 49 HA SER 49 -15.801 -1.271 21.133 391 1HB SER 49 2HB SER 49 -13.336 -0.850 21.353 392 2HB SER 49 1HB SER 49 -13.286 -0.504 19.625 393 HG SER 49 HG SER 49 -13.717 1.232 21.409 394 H ASN 50 HN ASN 50 -14.385 -1.757 17.891 395 HA ASN 50 HA ASN 50 -16.319 0.023 16.607 396 1HB ASN 50 2HB ASN 50 -14.104 -1.842 15.779 397 2HB ASN 50 1HB ASN 50 -15.160 -1.126 14.563 398 1HD2 ASN 50 1HD2 ASN 50 -14.209 0.727 13.709 399 2HD2 ASN 50 2HD2 ASN 50 -13.297 1.854 14.593 400 HA PRO 51 HA PRO 51 -19.411 -3.274 16.653 401 1HB PRO 51 2HB PRO 51 -21.055 -1.525 15.065 402 2HB PRO 51 1HB PRO 51 -21.224 -1.921 16.777 403 1HG PRO 51 2HG PRO 51 -20.324 0.550 15.606 404 2HG PRO 51 1HG PRO 51 -20.527 0.167 17.317 405 1HD PRO 51 2HD PRO 51 -18.060 0.507 15.878 406 2HD PRO 51 1HD PRO 51 -18.267 0.060 17.586 407 H ASN 52 HN ASN 52 -17.703 -1.811 14.075 408 HA ASN 52 HA ASN 52 -18.589 -3.996 12.234 409 1HB ASN 52 2HB ASN 52 -18.792 -2.383 10.446 410 2HB ASN 52 1HB ASN 52 -19.704 -1.757 11.819 411 1HD2 ASN 52 1HD2 ASN 52 -18.915 0.164 10.037 412 2HD2 ASN 52 2HD2 ASN 52 -17.598 1.054 10.632 413 H PHE 53 HN PHE 53 -16.203 -3.965 13.835 414 HA PHE 53 HA PHE 53 -13.964 -3.037 12.174 415 1HB PHE 53 2HB PHE 53 -12.678 -3.669 14.031 416 2HB PHE 53 1HB PHE 53 -14.238 -3.355 14.788 417 HD1 PHE 53 HD1 PHE 53 -15.883 -5.622 14.298 418 HD2 PHE 53 HD2 PHE 53 -11.643 -5.530 14.995 419 HE1 PHE 53 HE1 PHE 53 -15.966 -7.957 15.120 420 HE2 PHE 53 HE2 PHE 53 -11.729 -7.873 15.818 421 HZ PHE 53 HZ PHE 53 -13.893 -9.082 15.878 422 HA PRO 54 HA PRO 54 -13.099 -6.640 9.817 423 1HB PRO 54 2HB PRO 54 -10.663 -7.465 11.122 424 2HB PRO 54 1HB PRO 54 -10.839 -6.592 9.598 425 1HG PRO 54 2HG PRO 54 -9.923 -5.569 12.126 426 2HG PRO 54 1HG PRO 54 -10.083 -4.702 10.599 427 1HD PRO 54 2HD PRO 54 -11.709 -4.428 12.954 428 2HD PRO 54 1HD PRO 54 -11.905 -3.587 11.399 429 H GLU 55 HN GLU 55 -14.979 -7.502 11.152 430 HA GLU 55 HA GLU 55 -15.014 -8.974 13.448 431 1HB GLU 55 2HB GLU 55 -16.875 -8.612 11.845 432 2HB GLU 55 1HB GLU 55 -16.177 -9.841 10.784 433 1HG GLU 55 2HG GLU 55 -16.371 -11.500 12.637 434 2HG GLU 55 1HG GLU 55 -17.157 -10.268 13.625 435 H GLU 56 HN GLU 56 -13.390 -9.918 10.463 436 HA GLU 56 HA GLU 56 -12.924 -12.661 10.923 437 1HB GLU 56 2HB GLU 56 -11.109 -10.480 9.831 438 2HB GLU 56 1HB GLU 56 -10.823 -12.208 9.618 439 1HG GLU 56 2HG GLU 56 -13.048 -12.403 8.508 440 2HG GLU 56 1HG GLU 56 -13.243 -10.656 8.649 441 H LEU 57 HN LEU 57 -11.858 -9.894 12.688 442 HA LEU 57 HA LEU 57 -9.642 -11.303 14.057 443 1HB LEU 57 2HB LEU 57 -10.886 -8.553 14.407 444 2HB LEU 57 1HB LEU 57 -9.376 -9.091 15.139 445 HG LEU 57 HG LEU 57 -9.906 -8.929 12.156 446 1HD1 LEU 57 3HD1 LEU 57 -9.687 -6.748 13.548 447 2HD1 LEU 57 2HD1 LEU 57 -7.999 -7.219 13.749 448 3HD1 LEU 57 1HD1 LEU 57 -8.648 -6.931 12.134 449 1HD2 LEU 57 3HD2 LEU 57 -8.042 -10.448 13.584 450 2HD2 LEU 57 2HD2 LEU 57 -7.968 -10.040 11.870 451 3HD2 LEU 57 1HD2 LEU 57 -7.142 -9.026 13.053 452 H LYS 58 HN LYS 58 -12.859 -11.606 14.276 453 HA LYS 58 HA LYS 58 -13.881 -11.036 16.746 454 1HB LYS 58 2HB LYS 58 -14.344 -12.857 14.675 455 2HB LYS 58 1HB LYS 58 -14.229 -13.863 16.118 456 1HG LYS 58 2HG LYS 58 -15.826 -11.358 16.350 457 2HG LYS 58 1HG LYS 58 -16.523 -12.659 15.386 458 1HD LYS 58 2HD LYS 58 -16.550 -14.156 17.208 459 2HD LYS 58 1HD LYS 58 -15.379 -13.206 18.121 460 1HE LYS 58 2HE LYS 58 -17.095 -11.369 18.295 461 2HE LYS 58 1HE LYS 58 -18.268 -12.463 17.536 462 1HZ LYS 58 2HZ LYS 58 -17.616 -14.123 19.278 463 2HZ LYS 58 1HZ LYS 58 -16.767 -12.881 20.067 464 3HZ LYS 58 3HZ LYS 58 -18.448 -12.768 19.876 465 HA PRO 59 HA PRO 59 -11.573 -14.884 18.689 466 1HB PRO 59 2HB PRO 59 -9.115 -15.082 17.199 467 2HB PRO 59 1HB PRO 59 -10.375 -16.304 17.391 468 1HG PRO 59 2HG PRO 59 -9.773 -14.694 15.063 469 2HG PRO 59 1HG PRO 59 -10.954 -15.996 15.219 470 1HD PRO 59 2HD PRO 59 -11.500 -13.214 14.961 471 2HD PRO 59 1HD PRO 59 -12.676 -14.499 15.318 472 H LEU 60 HN LEU 60 -9.585 -12.363 17.071 473 HA LEU 60 HA LEU 60 -7.681 -11.936 19.106 474 1HB LEU 60 2HB LEU 60 -8.297 -10.907 16.661 475 2HB LEU 60 1HB LEU 60 -8.795 -9.572 17.701 476 HG LEU 60 HG LEU 60 -6.396 -10.266 18.824 477 1HD1 LEU 60 1HD1 LEU 60 -6.440 -11.145 15.989 478 2HD1 LEU 60 3HD1 LEU 60 -5.033 -10.204 16.479 479 3HD1 LEU 60 2HD1 LEU 60 -5.429 -11.699 17.323 480 1HD2 LEU 60 2HD2 LEU 60 -7.447 -8.031 17.870 481 2HD2 LEU 60 1HD2 LEU 60 -5.704 -8.168 18.095 482 3HD2 LEU 60 3HD2 LEU 60 -6.404 -8.380 16.492 483 H CYS 61 HN CYS 61 -10.967 -10.576 18.743 484 HA CYS 61 HA CYS 61 -10.911 -8.729 20.893 485 1HB CYS 61 2HB CYS 61 -13.155 -10.479 19.833 486 2HB CYS 61 1HB CYS 61 -13.374 -9.013 20.789 487 H LYS 62 HN LYS 62 -11.072 -12.223 20.902 488 HA LYS 62 HA LYS 62 -11.621 -12.189 23.851 489 1HB LYS 62 2HB LYS 62 -11.960 -14.340 21.733 490 2HB LYS 62 1HB LYS 62 -12.370 -14.528 23.437 491 1HG LYS 62 2HG LYS 62 -13.923 -12.546 23.187 492 2HG LYS 62 1HG LYS 62 -13.622 -12.611 21.451 493 1HD LYS 62 2HD LYS 62 -14.746 -14.881 23.122 494 2HD LYS 62 1HD LYS 62 -15.684 -13.842 22.051 495 1HE LYS 62 2HE LYS 62 -14.694 -14.745 20.108 496 2HE LYS 62 1HE LYS 62 -13.298 -15.374 21.004 497 1HZ LYS 62 1HZ LYS 62 -16.077 -16.249 21.560 498 2HZ LYS 62 3HZ LYS 62 -15.099 -17.041 20.424 499 3HZ LYS 62 2HZ LYS 62 -14.628 -16.988 22.055 500 H GLU 63 HN GLU 63 -8.989 -11.657 22.689 501 HA GLU 63 HA GLU 63 -7.522 -14.062 23.708 502 1HB GLU 63 2HB GLU 63 -7.611 -12.820 21.087 503 2HB GLU 63 1HB GLU 63 -5.974 -12.766 21.734 504 1HG GLU 63 2HG GLU 63 -6.784 -14.873 20.387 505 2HG GLU 63 1HG GLU 63 -5.790 -15.083 21.830 506 HA PRO 64 HA PRO 64 -5.529 -11.088 26.309 507 1HB PRO 64 2HB PRO 64 -3.149 -12.704 26.401 508 2HB PRO 64 1HB PRO 64 -4.420 -12.573 27.619 509 1HG PRO 64 2HG PRO 64 -3.867 -14.794 25.893 510 2HG PRO 64 1HG PRO 64 -5.159 -14.648 27.086 511 1HD PRO 64 2HD PRO 64 -5.378 -14.581 24.197 512 2HD PRO 64 1HD PRO 64 -6.686 -14.491 25.400 513 H ASN 65 HN ASN 65 -4.058 -12.400 23.394 514 HA ASN 65 HA ASN 65 -1.889 -10.435 23.286 515 1HB ASN 65 2HB ASN 65 -3.060 -12.300 21.195 516 2HB ASN 65 1HB ASN 65 -1.481 -11.518 21.116 517 1HD2 ASN 65 1HD2 ASN 65 -2.399 -14.492 21.426 518 2HD2 ASN 65 2HD2 ASN 65 -1.461 -15.053 22.724 519 H ALA 66 HN ALA 66 -5.225 -10.515 22.342 520 HA ALA 66 HA ALA 66 -5.437 -8.907 20.094 521 1HB ALA 66 2HB ALA 66 -7.100 -9.879 22.010 522 2HB ALA 66 3HB ALA 66 -7.614 -8.707 20.797 523 3HB ALA 66 1HB ALA 66 -7.145 -8.162 22.408 524 H GLN 67 HN GLN 67 -4.988 -7.743 23.452 525 HA GLN 67 HA GLN 67 -4.995 -4.966 22.974 526 1HB GLN 67 2HB GLN 67 -4.910 -6.230 25.159 527 2HB GLN 67 1HB GLN 67 -3.192 -6.507 24.866 528 1HG GLN 67 2HG GLN 67 -2.821 -4.064 24.764 529 2HG GLN 67 1HG GLN 67 -4.536 -3.793 25.070 530 1HE2 GLN 67 1HE2 GLN 67 -2.811 -2.697 26.928 531 2HE2 GLN 67 2HE2 GLN 67 -2.828 -3.596 28.368 532 H GLU 68 HN GLU 68 -2.253 -7.258 22.758 533 HA GLU 68 HA GLU 68 -0.372 -5.172 21.940 534 1HB GLU 68 2HB GLU 68 -0.291 -8.203 22.009 535 2HB GLU 68 1HB GLU 68 1.105 -7.187 21.655 536 1HG GLU 68 2HG GLU 68 0.834 -6.074 23.854 537 2HG GLU 68 1HG GLU 68 -0.533 -7.131 24.209 538 H ILE 69 HN ILE 69 -2.345 -7.637 20.331 539 HA ILE 69 HA ILE 69 -1.118 -7.532 17.749 540 HB ILE 69 HB ILE 69 -3.954 -8.089 18.671 541 1HG1 ILE 69 2HG1 ILE 69 -1.711 -9.987 17.919 542 2HG1 ILE 69 1HG1 ILE 69 -2.115 -9.545 19.579 543 1HG2 ILE 69 1HG2 ILE 69 -2.835 -7.843 16.015 544 2HG2 ILE 69 3HG2 ILE 69 -3.361 -9.501 16.303 545 3HG2 ILE 69 2HG2 ILE 69 -4.502 -8.169 16.488 546 1HD1 ILE 69 1HD1 ILE 69 -4.566 -10.256 18.754 547 2HD1 ILE 69 3HD1 ILE 69 -3.622 -11.253 17.647 548 3HD1 ILE 69 2HD1 ILE 69 -3.422 -11.438 19.389 549 H LEU 70 HN LEU 70 -3.869 -5.700 19.114 550 HA LEU 70 HA LEU 70 -4.771 -4.243 16.951 551 1HB LEU 70 2HB LEU 70 -5.602 -4.079 19.260 552 2HB LEU 70 1HB LEU 70 -4.126 -3.249 19.745 553 HG LEU 70 HG LEU 70 -6.337 -1.901 19.075 554 1HD1 LEU 70 1HD1 LEU 70 -3.780 -1.239 19.595 555 2HD1 LEU 70 3HD1 LEU 70 -3.853 -0.755 17.901 556 3HD1 LEU 70 2HD1 LEU 70 -4.973 -0.053 19.068 557 1HD2 LEU 70 3HD2 LEU 70 -6.337 -2.992 16.792 558 2HD2 LEU 70 2HD2 LEU 70 -6.348 -1.229 16.759 559 3HD2 LEU 70 1HD2 LEU 70 -4.852 -2.108 16.442 560 H GLN 71 HN GLN 71 -2.245 -2.861 19.100 561 HA GLN 71 HA GLN 71 -1.405 -0.759 17.478 562 1HB GLN 71 2HB GLN 71 0.222 -2.642 19.216 563 2HB GLN 71 1HB GLN 71 0.783 -1.065 18.662 564 1HG GLN 71 2HG GLN 71 -1.069 0.035 19.825 565 2HG GLN 71 1HG GLN 71 -1.714 -1.530 20.321 566 1HE2 GLN 71 1HE2 GLN 71 -0.605 0.756 22.008 567 2HE2 GLN 71 2HE2 GLN 71 0.611 0.041 22.951 568 H ARG 72 HN ARG 72 0.055 -4.038 17.493 569 HA ARG 72 HA ARG 72 1.869 -3.747 15.382 570 1HB ARG 72 2HB ARG 72 0.086 -6.071 16.178 571 2HB ARG 72 1HB ARG 72 1.485 -6.222 15.115 572 1HG ARG 72 2HG ARG 72 2.904 -5.245 16.937 573 2HG ARG 72 1HG ARG 72 1.494 -5.274 17.997 574 1HD ARG 72 2HD ARG 72 2.713 -7.303 18.453 575 2HD ARG 72 1HD ARG 72 1.335 -7.789 17.445 576 HE ARG 72 HE ARG 72 2.971 -7.520 15.473 577 1HH1 ARG 72 1HH1 ARG 72 5.063 -6.689 17.697 578 2HH1 ARG 72 2HH1 ARG 72 6.065 -8.101 17.668 579 1HH2 ARG 72 1HH2 ARG 72 3.799 -10.000 15.857 580 2HH2 ARG 72 2HH2 ARG 72 5.350 -9.976 16.627 581 H LEU 73 HN LEU 73 -1.462 -5.055 15.043 582 HA LEU 73 HA LEU 73 -1.659 -5.253 12.285 583 1HB LEU 73 2HB LEU 73 -3.659 -4.198 14.306 584 2HB LEU 73 1HB LEU 73 -4.087 -4.737 12.682 585 HG LEU 73 HG LEU 73 -2.843 -6.398 14.889 586 1HD1 LEU 73 2HD1 LEU 73 -5.528 -6.288 13.531 587 2HD1 LEU 73 1HD1 LEU 73 -4.966 -7.781 14.281 588 3HD1 LEU 73 3HD1 LEU 73 -5.165 -6.326 15.256 589 1HD2 LEU 73 1HD2 LEU 73 -3.030 -6.795 11.937 590 2HD2 LEU 73 3HD2 LEU 73 -1.799 -7.356 13.070 591 3HD2 LEU 73 2HD2 LEU 73 -3.348 -8.193 12.965 592 H GLU 74 HN GLU 74 -2.383 -2.295 14.180 593 HA GLU 74 HA GLU 74 -2.988 -0.533 12.084 594 1HB GLU 74 2HB GLU 74 -1.398 -0.058 14.625 595 2HB GLU 74 1HB GLU 74 -2.202 1.197 13.686 596 1HG GLU 74 2HG GLU 74 -3.552 -1.155 15.047 597 2HG GLU 74 1HG GLU 74 -3.626 0.528 15.566 598 H GLU 75 HN GLU 75 0.262 -0.924 13.582 599 HA GLU 75 HA GLU 75 1.744 0.671 11.822 600 1HB GLU 75 2HB GLU 75 2.482 -0.446 13.939 601 2HB GLU 75 1HB GLU 75 2.544 -1.978 13.068 602 1HG GLU 75 2HG GLU 75 4.182 -0.975 11.482 603 2HG GLU 75 1HG GLU 75 4.161 0.510 12.434 604 H ILE 76 HN ILE 76 1.332 -2.888 11.552 605 HA ILE 76 HA ILE 76 2.590 -3.214 9.041 606 HB ILE 76 HB ILE 76 0.204 -4.665 10.234 607 1HG1 ILE 76 2HG1 ILE 76 1.959 -4.647 11.860 608 2HG1 ILE 76 1HG1 ILE 76 2.062 -6.214 11.056 609 1HG2 ILE 76 1HG2 ILE 76 1.957 -5.130 7.891 610 2HG2 ILE 76 3HG2 ILE 76 1.694 -6.533 8.926 611 3HG2 ILE 76 2HG2 ILE 76 0.319 -5.703 8.201 612 1HD1 ILE 76 2HD1 ILE 76 3.790 -5.215 9.512 613 2HD1 ILE 76 1HD1 ILE 76 3.773 -3.770 10.523 614 3HD1 ILE 76 3HD1 ILE 76 4.301 -5.312 11.197 615 H ALA 77 HN ALA 77 -0.761 -2.334 9.825 616 HA ALA 77 HA ALA 77 -1.900 -2.466 7.226 617 1HB ALA 77 1HB ALA 77 -2.384 -1.102 9.815 618 2HB ALA 77 2HB ALA 77 -3.492 -2.051 8.825 619 3HB ALA 77 3HB ALA 77 -3.168 -0.366 8.418 620 H GLU 78 HN GLU 78 0.129 -0.021 8.763 621 HA GLU 78 HA GLU 78 -0.229 2.129 6.937 622 1HB GLU 78 2HB GLU 78 0.919 2.292 9.094 623 2HB GLU 78 1HB GLU 78 2.177 1.191 8.533 624 1HG GLU 78 2HG GLU 78 2.771 2.819 6.748 625 2HG GLU 78 1HG GLU 78 1.557 3.929 7.385 626 H ASP 79 HN ASP 79 2.061 -0.621 6.862 627 HA ASP 79 HA ASP 79 2.328 -0.241 3.922 628 1HB ASP 79 2HB ASP 79 4.265 0.459 5.974 629 2HB ASP 79 1HB ASP 79 4.925 -0.748 4.870 630 HA PRO 80 HA PRO 80 2.279 -4.627 3.798 631 1HB PRO 80 2HB PRO 80 4.397 -4.804 1.861 632 2HB PRO 80 1HB PRO 80 2.657 -4.899 1.581 633 1HG PRO 80 2HG PRO 80 4.440 -2.755 0.894 634 2HG PRO 80 1HG PRO 80 2.700 -2.851 0.614 635 1HD PRO 80 2HD PRO 80 4.101 -1.197 2.524 636 2HD PRO 80 1HD PRO 80 2.348 -1.291 2.240 637 H GLY 81 HN GLY 81 5.616 -3.300 3.629 638 1HA GLY 81 1HA GLY 81 6.401 -4.767 6.014 639 2HA GLY 81 2HA GLY 81 7.470 -3.805 4.993 640 H THR 82 HN THR 82 7.570 -6.685 6.109 641 HA THR 82 HA THR 82 8.733 -7.866 3.680 642 HB THR 82 HB THR 82 9.558 -9.515 5.255 643 HG1 THR 82 1HG THR 82 7.458 -8.492 6.807 644 1HG2 THR 82 1HG2 THR 82 10.395 -7.065 5.324 645 2HG2 THR 82 3HG2 THR 82 9.504 -6.956 6.842 646 3HG2 THR 82 2HG2 THR 82 10.819 -8.119 6.672 647 H CYS 83 HN CYS 83 5.723 -7.961 5.352 648 HA CYS 83 HA CYS 83 4.810 -10.598 4.853 649 1HB CYS 83 2HB CYS 83 3.656 -8.942 6.248 650 2HB CYS 83 1HB CYS 83 3.358 -7.930 4.835 651 H GLU 84 HN GLU 84 4.491 -7.681 2.797 652 HA GLU 84 HA GLU 84 3.148 -8.923 0.617 653 1HB GLU 84 2HB GLU 84 3.395 -6.490 1.068 654 2HB GLU 84 1HB GLU 84 5.104 -6.605 0.648 655 1HG GLU 84 2HG GLU 84 4.435 -7.466 -1.608 656 2HG GLU 84 1HG GLU 84 2.749 -7.179 -1.176 657 H ILE 85 HN ILE 85 6.585 -8.866 1.470 658 HA ILE 85 HA ILE 85 7.286 -10.041 -1.174 659 HB ILE 85 HB ILE 85 9.550 -9.516 -0.523 660 1HG1 ILE 85 2HG1 ILE 85 8.364 -9.124 2.233 661 2HG1 ILE 85 1HG1 ILE 85 9.567 -10.318 1.753 662 1HG2 ILE 85 3HG2 ILE 85 7.939 -7.621 -1.110 663 2HG2 ILE 85 2HG2 ILE 85 7.843 -7.294 0.620 664 3HG2 ILE 85 1HG2 ILE 85 9.387 -7.149 -0.222 665 1HD1 ILE 85 3HD1 ILE 85 10.845 -8.081 0.968 666 2HD1 ILE 85 2HD1 ILE 85 9.884 -7.407 2.285 667 3HD1 ILE 85 1HD1 ILE 85 11.001 -8.735 2.599 668 H CYS 86 HN CYS 86 6.044 -11.253 1.568 669 HA CYS 86 HA CYS 86 6.025 -13.422 2.503 670 1HB CYS 86 2HB CYS 86 7.766 -14.071 0.109 671 2HB CYS 86 1HB CYS 86 6.699 -15.170 0.982 672 H ALA 87 HN ALA 87 8.494 -11.438 2.714 673 HA ALA 87 HA ALA 87 10.807 -13.085 3.199 674 1HB ALA 87 1HB ALA 87 11.109 -10.841 4.754 675 2HB ALA 87 2HB ALA 87 9.884 -10.308 3.603 676 3HB ALA 87 3HB ALA 87 11.442 -10.899 3.023 677 H TYR 88 HN TYR 88 7.908 -12.544 4.982 678 HA TYR 88 HA TYR 88 9.057 -14.051 7.296 679 1HB TYR 88 2HB TYR 88 7.619 -11.401 7.227 680 2HB TYR 88 1HB TYR 88 7.552 -12.413 8.669 681 HD1 TYR 88 HD1 TYR 88 9.992 -10.948 6.235 682 HD2 TYR 88 HD2 TYR 88 9.288 -12.316 10.244 683 HE1 TYR 88 HE1 TYR 88 12.239 -10.142 6.902 684 HE2 TYR 88 HE2 TYR 88 11.536 -11.510 10.913 685 HH TYR 88 HH TYR 88 13.274 -10.170 10.270 686 H ALA 89 HN ALA 89 7.240 -14.965 8.671 687 HA ALA 89 HA ALA 89 5.240 -16.243 6.989 688 1HB ALA 89 3HB ALA 89 6.367 -17.305 8.917 689 2HB ALA 89 1HB ALA 89 4.618 -17.294 9.142 690 3HB ALA 89 2HB ALA 89 5.623 -16.126 9.999 691 H ALA 90 HN ALA 90 5.336 -13.157 8.166 692 HA ALA 90 HA ALA 90 2.790 -12.747 9.390 693 1HB ALA 90 3HB ALA 90 5.020 -11.279 8.762 694 2HB ALA 90 1HB ALA 90 3.512 -10.584 9.357 695 3HB ALA 90 2HB ALA 90 3.841 -10.626 7.624 696 H CYS 91 HN CYS 91 3.752 -12.951 5.982 697 HA CYS 91 HA CYS 91 0.955 -12.317 5.147 698 1HB CYS 91 2HB CYS 91 3.550 -11.710 4.210 699 2HB CYS 91 1HB CYS 91 2.845 -12.795 3.014 700 H THR 92 HN THR 92 -0.342 -14.089 4.913 701 HA THR 92 HA THR 92 0.904 -16.698 4.150 702 HB THR 92 HB THR 92 -1.004 -17.665 5.232 703 HG1 THR 92 1HG THR 92 -2.853 -16.685 5.233 704 1HG2 THR 92 3HG2 THR 92 0.569 -15.626 6.517 705 2HG2 THR 92 2HG2 THR 92 -1.047 -15.652 7.223 706 3HG2 THR 92 1HG2 THR 92 -0.070 -17.121 7.201 707 H GLY 93 HN GLY 93 -0.213 -17.986 2.498 708 1HA GLY 93 1HA GLY 93 -2.114 -16.499 0.767 709 2HA GLY 93 2HA GLY 93 -1.807 -18.235 0.696 710 H CYS 94 HN CYS 94 0.856 -15.993 0.929 711 HA CYS 94 HA CYS 94 1.452 -15.334 -1.710 712 1HB CYS 94 2HB CYS 94 2.665 -14.878 0.529 713 2HB CYS 94 1HB CYS 94 3.504 -16.401 0.237 No H/Q in entry = 713 Start of MODEL 6 1 H1 VAL 1 3H VAL 1 -2.152 -14.120 1.308 2 H2 VAL 1 2H VAL 1 -2.327 -13.400 -0.221 3 H3 VAL 1 1H VAL 1 -0.993 -14.401 0.102 4 HA VAL 1 HA VAL 1 0.100 -12.816 1.339 5 HB VAL 1 HB VAL 1 -1.657 -11.166 -0.497 6 1HG1 VAL 1 3HG1 VAL 1 1.073 -10.923 0.708 7 2HG1 VAL 1 2HG1 VAL 1 0.801 -10.239 -0.895 8 3HG1 VAL 1 1HG1 VAL 1 -0.161 -9.685 0.476 9 1HG2 VAL 1 2HG2 VAL 1 0.451 -13.225 -1.098 10 2HG2 VAL 1 1HG2 VAL 1 -1.097 -12.956 -1.899 11 3HG2 VAL 1 3HG2 VAL 1 0.243 -11.841 -2.171 12 H THR 2 HN THR 2 -1.652 -13.365 3.252 13 HA THR 2 HA THR 2 -2.950 -10.755 3.973 14 HB THR 2 HB THR 2 -3.685 -13.581 4.802 15 HG1 THR 2 1HG THR 2 -4.129 -13.374 2.656 16 1HG2 THR 2 1HG2 THR 2 -4.342 -11.714 6.346 17 2HG2 THR 2 3HG2 THR 2 -5.251 -10.998 5.014 18 3HG2 THR 2 2HG2 THR 2 -5.716 -12.576 5.651 19 H VAL 3 HN VAL 3 -2.676 -10.052 6.153 20 HA VAL 3 HA VAL 3 -0.259 -11.061 7.496 21 HB VAL 3 HB VAL 3 -2.258 -8.861 8.115 22 1HG1 VAL 3 2HG1 VAL 3 0.244 -9.801 9.469 23 2HG1 VAL 3 1HG1 VAL 3 -0.105 -8.072 9.443 24 3HG1 VAL 3 3HG1 VAL 3 -1.249 -9.193 10.182 25 1HG2 VAL 3 3HG2 VAL 3 -0.867 -8.700 5.988 26 2HG2 VAL 3 2HG2 VAL 3 -0.657 -7.370 7.128 27 3HG2 VAL 3 1HG2 VAL 3 0.558 -8.646 7.025 28 H GLN 4 HN GLN 4 -0.439 -12.785 8.888 29 HA GLN 4 HA GLN 4 -3.036 -13.154 10.338 30 1HB GLN 4 2HB GLN 4 -2.410 -15.512 10.377 31 2HB GLN 4 1HB GLN 4 -2.256 -14.906 8.728 32 1HG GLN 4 2HG GLN 4 0.144 -14.666 8.979 33 2HG GLN 4 1HG GLN 4 0.047 -15.068 10.693 34 1HE2 GLN 4 1HE2 GLN 4 1.720 -16.740 9.457 35 2HE2 GLN 4 2HE2 GLN 4 1.005 -18.232 9.079 36 H ASP 5 HN ASP 5 -2.994 -13.477 12.581 37 HA ASP 5 HA ASP 5 -0.421 -12.785 13.944 38 1HB ASP 5 2HB ASP 5 -3.350 -12.599 14.709 39 2HB ASP 5 1HB ASP 5 -2.036 -12.232 15.826 40 H GLY 6 HN GLY 6 -1.779 -15.499 12.990 41 1HA GLY 6 1HA GLY 6 -2.197 -17.019 15.403 42 2HA GLY 6 2HA GLY 6 -0.553 -17.246 14.804 43 H ASN 7 HN ASN 7 -3.424 -18.729 14.746 44 HA ASN 7 HA ASN 7 -2.800 -20.166 12.253 45 1HB ASN 7 2HB ASN 7 -3.551 -21.115 14.529 46 2HB ASN 7 1HB ASN 7 -5.164 -20.543 14.101 47 1HD2 ASN 7 1HD2 ASN 7 -5.909 -22.820 13.954 48 2HD2 ASN 7 2HD2 ASN 7 -5.493 -23.773 12.613 49 H PHE 8 HN PHE 8 -4.307 -17.314 12.770 50 HA PHE 8 HA PHE 8 -6.328 -17.802 10.606 51 1HB PHE 8 2HB PHE 8 -6.419 -15.919 12.987 52 2HB PHE 8 1HB PHE 8 -7.686 -16.087 11.771 53 HD1 PHE 8 HD1 PHE 8 -9.050 -18.125 11.639 54 HD2 PHE 8 HD2 PHE 8 -6.017 -17.660 14.645 55 HE1 PHE 8 HE1 PHE 8 -9.995 -20.047 12.891 56 HE2 PHE 8 HE2 PHE 8 -6.961 -19.582 15.896 57 HZ PHE 8 HZ PHE 8 -8.950 -20.774 15.019 58 H SER 9 HN SER 9 -6.239 -16.362 8.882 59 HA SER 9 HA SER 9 -4.019 -14.383 8.891 60 1HB SER 9 2HB SER 9 -4.433 -14.441 6.438 61 2HB SER 9 1HB SER 9 -4.188 -16.058 7.095 62 HG SER 9 HG SER 9 -6.239 -16.527 6.791 63 H PHE 10 HN PHE 10 -4.409 -12.176 8.768 64 HA PHE 10 HA PHE 10 -7.271 -11.304 8.528 65 1HB PHE 10 2HB PHE 10 -5.023 -10.265 10.285 66 2HB PHE 10 1HB PHE 10 -6.634 -9.552 10.191 67 HD1 PHE 10 HD1 PHE 10 -8.332 -11.977 9.992 68 HD2 PHE 10 HD2 PHE 10 -4.912 -11.171 12.463 69 HE1 PHE 10 HE1 PHE 10 -9.153 -13.616 11.665 70 HE2 PHE 10 HE2 PHE 10 -5.732 -12.810 14.134 71 HZ PHE 10 HZ PHE 10 -7.853 -14.032 13.734 72 H SER 11 HN SER 11 -7.628 -9.612 7.098 73 HA SER 11 HA SER 11 -5.565 -8.860 5.223 74 1HB SER 11 2HB SER 11 -8.027 -9.015 4.795 75 2HB SER 11 1HB SER 11 -8.262 -7.600 5.821 76 HG SER 11 HG SER 11 -7.087 -7.809 3.294 77 H LEU 12 HN LEU 12 -4.952 -6.526 4.838 78 HA LEU 12 HA LEU 12 -4.285 -5.219 7.427 79 1HB LEU 12 2HB LEU 12 -3.355 -4.775 4.569 80 2HB LEU 12 1HB LEU 12 -2.665 -4.001 5.995 81 HG LEU 12 HG LEU 12 -2.277 -6.391 6.883 82 1HD1 LEU 12 2HD1 LEU 12 -3.257 -6.881 4.115 83 2HD1 LEU 12 1HD1 LEU 12 -1.884 -7.851 4.652 84 3HD1 LEU 12 3HD1 LEU 12 -3.399 -7.891 5.554 85 1HD2 LEU 12 2HD2 LEU 12 -0.819 -5.214 4.511 86 2HD2 LEU 12 1HD2 LEU 12 -0.380 -5.113 6.216 87 3HD2 LEU 12 3HD2 LEU 12 -0.229 -6.645 5.356 88 H GLU 13 HN GLU 13 -6.491 -4.914 4.817 89 HA GLU 13 HA GLU 13 -6.776 -2.048 4.718 90 1HB GLU 13 2HB GLU 13 -8.663 -4.341 4.095 91 2HB GLU 13 1HB GLU 13 -8.933 -2.668 3.608 92 1HG GLU 13 2HG GLU 13 -6.616 -4.442 2.787 93 2HG GLU 13 1HG GLU 13 -7.916 -3.858 1.749 94 H SER 14 HN SER 14 -9.276 -4.289 5.930 95 HA SER 14 HA SER 14 -10.805 -2.556 7.432 96 1HB SER 14 2HB SER 14 -9.957 -5.271 8.455 97 2HB SER 14 1HB SER 14 -11.535 -4.498 8.601 98 HG SER 14 HG SER 14 -11.926 -4.855 6.489 99 H VAL 15 HN VAL 15 -7.892 -4.253 8.644 100 HA VAL 15 HA VAL 15 -7.890 -3.159 11.260 101 HB VAL 15 HB VAL 15 -5.767 -4.158 9.357 102 1HG1 VAL 15 2HG1 VAL 15 -4.891 -2.460 11.080 103 2HG1 VAL 15 1HG1 VAL 15 -5.343 -3.644 12.307 104 3HG1 VAL 15 3HG1 VAL 15 -4.134 -4.053 11.090 105 1HG2 VAL 15 1HG2 VAL 15 -7.584 -5.250 11.403 106 2HG2 VAL 15 3HG2 VAL 15 -6.799 -6.064 10.047 107 3HG2 VAL 15 2HG2 VAL 15 -5.917 -5.809 11.553 108 H LYS 16 HN LYS 16 -6.334 -1.942 8.270 109 HA LYS 16 HA LYS 16 -5.062 0.342 9.378 110 1HB LYS 16 2HB LYS 16 -4.753 -0.535 7.084 111 2HB LYS 16 1HB LYS 16 -6.407 -0.073 6.684 112 1HG LYS 16 2HG LYS 16 -5.374 1.831 5.931 113 2HG LYS 16 1HG LYS 16 -5.501 2.291 7.628 114 1HD LYS 16 2HD LYS 16 -3.256 2.430 7.723 115 2HD LYS 16 1HD LYS 16 -3.162 0.702 7.390 116 1HE LYS 16 2HE LYS 16 -3.357 2.870 5.264 117 2HE LYS 16 1HE LYS 16 -1.874 2.006 5.710 118 1HZ LYS 16 2HZ LYS 16 -4.051 0.210 5.318 119 2HZ LYS 16 1HZ LYS 16 -3.800 1.152 3.927 120 3HZ LYS 16 3HZ LYS 16 -2.529 0.225 4.561 121 H LYS 17 HN LYS 17 -8.255 0.160 7.754 122 HA LYS 17 HA LYS 17 -9.053 2.795 8.756 123 1HB LYS 17 2HB LYS 17 -10.507 0.561 7.301 124 2HB LYS 17 1HB LYS 17 -11.152 2.184 7.548 125 1HG LYS 17 2HG LYS 17 -9.195 3.118 6.329 126 2HG LYS 17 1HG LYS 17 -8.623 1.477 6.028 127 1HD LYS 17 2HD LYS 17 -10.788 0.990 4.870 128 2HD LYS 17 1HD LYS 17 -11.239 2.682 5.077 129 1HE LYS 17 2HE LYS 17 -10.185 3.048 3.089 130 2HE LYS 17 1HE LYS 17 -8.668 2.796 3.973 131 1HZ LYS 17 2HZ LYS 17 -9.106 0.347 3.670 132 2HZ LYS 17 1HZ LYS 17 -10.315 0.773 2.555 133 3HZ LYS 17 3HZ LYS 17 -8.699 1.189 2.252 134 H LEU 18 HN LEU 18 -8.615 0.092 10.445 135 HA LEU 18 HA LEU 18 -11.104 -0.553 11.677 136 1HB LEU 18 2HB LEU 18 -8.757 -1.660 11.698 137 2HB LEU 18 1HB LEU 18 -8.397 -0.551 13.020 138 HG LEU 18 HG LEU 18 -10.640 -2.591 12.943 139 1HD1 LEU 18 2HD1 LEU 18 -7.886 -2.560 13.963 140 2HD1 LEU 18 1HD1 LEU 18 -9.076 -3.010 15.185 141 3HD1 LEU 18 3HD1 LEU 18 -8.964 -3.928 13.684 142 1HD2 LEU 18 2HD2 LEU 18 -9.995 -0.314 14.790 143 2HD2 LEU 18 1HD2 LEU 18 -11.566 -0.868 14.209 144 3HD2 LEU 18 3HD2 LEU 18 -10.713 -1.784 15.450 145 H LYS 19 HN LYS 19 -8.609 1.866 12.517 146 HA LYS 19 HA LYS 19 -9.972 2.784 14.914 147 1HB LYS 19 2HB LYS 19 -7.524 2.952 14.435 148 2HB LYS 19 1HB LYS 19 -7.882 4.112 13.156 149 1HG LYS 19 2HG LYS 19 -8.963 5.595 14.834 150 2HG LYS 19 1HG LYS 19 -8.529 4.447 16.102 151 1HD LYS 19 2HD LYS 19 -6.123 4.724 15.453 152 2HD LYS 19 1HD LYS 19 -6.615 5.974 14.311 153 1HE LYS 19 2HE LYS 19 -5.876 6.967 16.472 154 2HE LYS 19 1HE LYS 19 -7.599 7.282 16.189 155 1HZ LYS 19 2HZ LYS 19 -6.974 4.743 17.453 156 2HZ LYS 19 1HZ LYS 19 -6.648 6.111 18.405 157 3HZ LYS 19 3HZ LYS 19 -8.212 5.851 17.805 158 H ASP 20 HN ASP 20 -9.327 4.538 11.852 159 HA ASP 20 HA ASP 20 -11.219 6.611 12.266 160 1HB ASP 20 2HB ASP 20 -10.105 5.306 9.764 161 2HB ASP 20 1HB ASP 20 -10.996 6.828 9.757 162 H LEU 21 HN LEU 21 -11.589 3.413 10.756 163 HA LEU 21 HA LEU 21 -13.531 2.248 10.078 164 1HB LEU 21 2HB LEU 21 -13.783 2.698 12.582 165 2HB LEU 21 1HB LEU 21 -14.842 4.036 12.139 166 HG LEU 21 HG LEU 21 -16.173 2.344 10.761 167 1HD1 LEU 21 1HD1 LEU 21 -14.001 0.693 11.604 168 2HD1 LEU 21 3HD1 LEU 21 -15.472 0.070 12.353 169 3HD1 LEU 21 2HD1 LEU 21 -15.381 0.245 10.600 170 1HD2 LEU 21 3HD2 LEU 21 -15.975 2.148 13.776 171 2HD2 LEU 21 2HD2 LEU 21 -17.098 3.125 12.831 172 3HD2 LEU 21 1HD2 LEU 21 -17.257 1.369 12.848 173 H GLN 22 HN GLN 22 -12.884 4.884 8.751 174 HA GLN 22 HA GLN 22 -15.580 5.960 8.117 175 1HB GLN 22 2HB GLN 22 -12.790 6.763 7.229 176 2HB GLN 22 1HB GLN 22 -14.260 7.707 6.994 177 1HG GLN 22 2HG GLN 22 -13.039 6.933 9.661 178 2HG GLN 22 1HG GLN 22 -13.044 8.547 8.948 179 1HE2 GLN 22 1HE2 GLN 22 -14.569 6.891 11.318 180 2HE2 GLN 22 2HE2 GLN 22 -16.120 7.577 11.229 181 H GLU 23 HN GLU 23 -16.446 5.853 5.991 182 HA GLU 23 HA GLU 23 -16.876 4.765 3.931 183 1HB GLU 23 2HB GLU 23 -14.771 6.315 3.694 184 2HB GLU 23 1HB GLU 23 -13.883 4.795 3.593 185 1HG GLU 23 2HG GLU 23 -16.105 4.464 1.901 186 2HG GLU 23 1HG GLU 23 -15.515 6.094 1.577 187 HA PRO 24 HA PRO 24 -15.570 0.695 5.832 188 1HB PRO 24 2HB PRO 24 -18.271 -0.150 5.318 189 2HB PRO 24 1HB PRO 24 -17.493 0.118 6.880 190 1HG PRO 24 2HG PRO 24 -19.509 1.725 5.621 191 2HG PRO 24 1HG PRO 24 -18.715 2.004 7.173 192 1HD PRO 24 2HD PRO 24 -18.354 3.459 4.698 193 2HD PRO 24 1HD PRO 24 -17.579 3.764 6.270 194 H GLN 25 HN GLN 25 -14.624 1.170 3.405 195 HA GLN 25 HA GLN 25 -15.667 -1.068 1.735 196 1HB GLN 25 2HB GLN 25 -16.723 1.100 1.054 197 2HB GLN 25 1HB GLN 25 -15.112 1.749 0.747 198 1HG GLN 25 2HG GLN 25 -14.716 -0.046 -0.913 199 2HG GLN 25 1HG GLN 25 -16.340 -0.666 -0.619 200 1HE2 GLN 25 1HE2 GLN 25 -14.506 1.705 -2.369 201 2HE2 GLN 25 2HE2 GLN 25 -15.823 2.508 -3.079 202 H GLU 26 HN GLU 26 -14.040 -1.538 -0.080 203 HA GLU 26 HA GLU 26 -11.253 -0.867 0.818 204 1HB GLU 26 2HB GLU 26 -12.597 -3.425 -0.033 205 2HB GLU 26 1HB GLU 26 -10.851 -3.244 -0.208 206 1HG GLU 26 2HG GLU 26 -10.623 -3.762 1.971 207 2HG GLU 26 1HG GLU 26 -11.500 -2.287 2.378 208 HA PRO 27 HA PRO 27 -12.080 0.430 -3.631 209 1HB PRO 27 2HB PRO 27 -10.547 2.779 -2.998 210 2HB PRO 27 1HB PRO 27 -12.266 2.676 -3.385 211 1HG PRO 27 2HG PRO 27 -11.055 3.206 -0.830 212 2HG PRO 27 1HG PRO 27 -12.775 3.117 -1.221 213 1HD PRO 27 2HD PRO 27 -11.208 1.222 0.285 214 2HD PRO 27 1HD PRO 27 -12.936 1.122 -0.130 215 H ARG 28 HN ARG 28 -10.480 0.203 -5.257 216 HA ARG 28 HA ARG 28 -7.708 -0.377 -4.267 217 1HB ARG 28 2HB ARG 28 -9.324 -1.410 -6.619 218 2HB ARG 28 1HB ARG 28 -7.637 -1.830 -6.322 219 1HG ARG 28 2HG ARG 28 -8.290 -2.708 -4.080 220 2HG ARG 28 1HG ARG 28 -9.976 -2.373 -4.470 221 1HD ARG 28 2HD ARG 28 -8.151 -4.238 -6.031 222 2HD ARG 28 1HD ARG 28 -9.458 -4.739 -4.943 223 HE ARG 28 HE ARG 28 -11.061 -3.769 -6.501 224 1HH1 ARG 28 1HH1 ARG 28 -8.710 -5.221 -8.100 225 2HH1 ARG 28 2HH1 ARG 28 -8.648 -4.172 -9.477 226 1HH2 ARG 28 1HH2 ARG 28 -10.583 -1.697 -8.010 227 2HH2 ARG 28 2HH2 ARG 28 -9.709 -2.177 -9.426 228 H VAL 29 HN VAL 29 -6.786 1.699 -4.567 229 HA VAL 29 HA VAL 29 -6.766 2.701 -7.398 230 HB VAL 29 HB VAL 29 -6.686 4.244 -4.783 231 1HG1 VAL 29 1HG1 VAL 29 -6.265 4.959 -7.627 232 2HG1 VAL 29 3HG1 VAL 29 -7.340 6.030 -6.729 233 3HG1 VAL 29 2HG1 VAL 29 -5.690 5.764 -6.167 234 1HG2 VAL 29 1HG2 VAL 29 -8.873 3.039 -5.681 235 2HG2 VAL 29 3HG2 VAL 29 -8.952 4.681 -5.043 236 3HG2 VAL 29 2HG2 VAL 29 -8.908 4.413 -6.787 237 H GLY 30 HN GLY 30 -4.725 2.434 -8.216 238 1HA GLY 30 1HA GLY 30 -2.402 3.480 -6.864 239 2HA GLY 30 2HA GLY 30 -2.382 2.541 -8.357 240 H LYS 31 HN LYS 31 -4.107 0.588 -6.491 241 HA LYS 31 HA LYS 31 -3.624 -1.325 -5.184 242 1HB LYS 31 2HB LYS 31 -1.068 -0.980 -6.786 243 2HB LYS 31 1HB LYS 31 -1.561 -2.468 -5.978 244 1HG LYS 31 2HG LYS 31 -3.641 -2.484 -7.352 245 2HG LYS 31 1HG LYS 31 -3.061 -1.052 -8.204 246 1HD LYS 31 2HD LYS 31 -1.023 -2.332 -8.878 247 2HD LYS 31 1HD LYS 31 -1.711 -3.767 -8.118 248 1HE LYS 31 2HE LYS 31 -2.796 -4.188 -10.066 249 2HE LYS 31 1HE LYS 31 -3.739 -2.708 -9.803 250 1HZ LYS 31 3HZ LYS 31 -1.784 -1.467 -10.699 251 2HZ LYS 31 2HZ LYS 31 -1.095 -2.955 -11.143 252 3HZ LYS 31 1HZ LYS 31 -2.557 -2.448 -11.846 253 H LEU 32 HN LEU 32 -3.141 1.142 -3.818 254 HA LEU 32 HA LEU 32 -0.638 0.528 -2.281 255 1HB LEU 32 2HB LEU 32 -0.757 2.690 -3.532 256 2HB LEU 32 1HB LEU 32 -2.184 3.124 -2.592 257 HG LEU 32 HG LEU 32 -0.758 2.769 -0.506 258 1HD1 LEU 32 3HD1 LEU 32 1.162 2.132 -2.636 259 2HD1 LEU 32 2HD1 LEU 32 1.774 3.305 -1.470 260 3HD1 LEU 32 1HD1 LEU 32 1.213 1.726 -0.921 261 1HD2 LEU 32 2HD2 LEU 32 -1.120 4.980 -2.122 262 2HD2 LEU 32 1HD2 LEU 32 -0.405 5.009 -0.510 263 3HD2 LEU 32 3HD2 LEU 32 0.633 4.927 -1.933 264 H ARG 33 HN ARG 33 -1.008 -0.237 -0.241 265 HA ARG 33 HA ARG 33 -3.667 0.335 1.024 266 1HB ARG 33 2HB ARG 33 -1.699 -1.955 1.366 267 2HB ARG 33 1HB ARG 33 -3.236 -1.809 2.220 268 1HG ARG 33 2HG ARG 33 -4.422 -1.795 0.035 269 2HG ARG 33 1HG ARG 33 -2.877 -2.009 -0.787 270 1HD ARG 33 2HD ARG 33 -2.542 -4.143 0.487 271 2HD ARG 33 1HD ARG 33 -4.165 -3.942 1.175 272 HE ARG 33 HE ARG 33 -5.087 -4.160 -1.084 273 1HH1 ARG 33 1HH1 ARG 33 -3.428 -6.620 -0.930 274 2HH1 ARG 33 2HH1 ARG 33 -2.491 -6.535 -2.385 275 1HH2 ARG 33 1HH2 ARG 33 -3.125 -3.166 -2.911 276 2HH2 ARG 33 2HH2 ARG 33 -2.319 -4.579 -3.506 277 H ASN 34 HN ASN 34 -1.926 2.373 1.384 278 HA ASN 34 HA ASN 34 -0.888 1.945 4.166 279 1HB ASN 34 2HB ASN 34 0.320 3.487 1.847 280 2HB ASN 34 1HB ASN 34 0.969 3.483 3.487 281 1HD2 ASN 34 1HD2 ASN 34 2.688 2.520 1.572 282 2HD2 ASN 34 2HD2 ASN 34 2.795 0.828 1.644 283 H PHE 35 HN PHE 35 -1.180 3.731 5.575 284 HA PHE 35 HA PHE 35 -2.096 6.331 4.707 285 1HB PHE 35 2HB PHE 35 -4.048 4.816 4.187 286 2HB PHE 35 1HB PHE 35 -4.166 4.469 5.911 287 HD1 PHE 35 HD1 PHE 35 -4.222 7.248 3.418 288 HD2 PHE 35 HD2 PHE 35 -5.273 5.959 7.380 289 HE1 PHE 35 HE1 PHE 35 -5.530 9.328 3.748 290 HE2 PHE 35 HE2 PHE 35 -6.582 8.040 7.708 291 HZ PHE 35 HZ PHE 35 -6.712 9.725 5.893 292 H ALA 36 HN ALA 36 -3.149 4.307 7.442 293 HA ALA 36 HA ALA 36 -2.700 6.234 9.467 294 1HB ALA 36 1HB ALA 36 -3.863 3.856 9.357 295 2HB ALA 36 3HB ALA 36 -2.297 3.298 9.945 296 3HB ALA 36 2HB ALA 36 -3.230 4.460 10.888 297 HA PRO 37 HA PRO 37 1.794 6.271 9.127 298 1HB PRO 37 2HB PRO 37 1.810 8.033 11.396 299 2HB PRO 37 1HB PRO 37 2.081 8.439 9.701 300 1HG PRO 37 2HG PRO 37 -0.217 9.047 11.317 301 2HG PRO 37 1HG PRO 37 0.061 9.463 9.623 302 1HD PRO 37 2HD PRO 37 -1.771 7.502 10.685 303 2HD PRO 37 1HD PRO 37 -1.482 7.912 8.978 304 H ILE 38 HN ILE 38 -0.155 5.680 11.992 305 HA ILE 38 HA ILE 38 1.652 3.557 12.875 306 HB ILE 38 HB ILE 38 1.467 5.240 15.159 307 1HG1 ILE 38 2HG1 ILE 38 2.564 7.288 14.438 308 2HG1 ILE 38 1HG1 ILE 38 2.593 6.733 12.769 309 1HG2 ILE 38 1HG2 ILE 38 3.263 3.571 14.187 310 2HG2 ILE 38 3HG2 ILE 38 3.948 5.038 13.489 311 3HG2 ILE 38 2HG2 ILE 38 3.763 4.897 15.237 312 1HD1 ILE 38 3HD1 ILE 38 -0.095 6.646 13.923 313 2HD1 ILE 38 2HD1 ILE 38 0.591 8.271 13.943 314 3HD1 ILE 38 1HD1 ILE 38 0.454 7.389 12.419 315 HA PRO 39 HA PRO 39 -1.893 1.985 14.915 316 1HB PRO 39 2HB PRO 39 -0.705 1.670 17.516 317 2HB PRO 39 1HB PRO 39 -0.938 0.441 16.271 318 1HG PRO 39 2HG PRO 39 1.525 1.649 17.112 319 2HG PRO 39 1HG PRO 39 1.290 0.433 15.855 320 1HD PRO 39 2HD PRO 39 1.950 3.229 15.525 321 2HD PRO 39 1HD PRO 39 1.742 1.997 14.260 322 H GLY 40 HN GLY 40 -3.640 2.698 16.235 323 1HA GLY 40 1HA GLY 40 -4.868 4.600 17.032 324 2HA GLY 40 2HA GLY 40 -3.343 5.439 17.305 325 H GLU 41 HN GLU 41 -5.292 2.727 18.524 326 HA GLU 41 HA GLU 41 -3.818 2.554 21.035 327 1HB GLU 41 2HB GLU 41 -6.112 4.387 20.650 328 2HB GLU 41 1HB GLU 41 -6.187 3.394 22.105 329 1HG GLU 41 2HG GLU 41 -3.532 4.259 22.000 330 2HG GLU 41 1HG GLU 41 -4.469 5.672 21.515 331 HA PRO 42 HA PRO 42 -5.846 -1.366 20.930 332 1HB PRO 42 2HB PRO 42 -5.707 -1.604 23.794 333 2HB PRO 42 1HB PRO 42 -4.651 -2.344 22.588 334 1HG PRO 42 2HG PRO 42 -4.027 -0.205 24.393 335 2HG PRO 42 1HG PRO 42 -2.982 -0.926 23.168 336 1HD PRO 42 2HD PRO 42 -4.240 1.682 23.126 337 2HD PRO 42 1HD PRO 42 -3.149 0.971 21.914 338 H VAL 43 HN VAL 43 -8.008 -1.984 21.075 339 HA VAL 43 HA VAL 43 -9.763 -0.620 23.069 340 HB VAL 43 HB VAL 43 -11.366 -0.211 21.158 341 1HG1 VAL 43 2HG1 VAL 43 -9.494 1.401 22.091 342 2HG1 VAL 43 1HG1 VAL 43 -8.788 1.159 20.493 343 3HG1 VAL 43 3HG1 VAL 43 -10.408 1.839 20.648 344 1HG2 VAL 43 1HG2 VAL 43 -10.412 -1.900 19.622 345 2HG2 VAL 43 3HG2 VAL 43 -10.454 -0.304 18.874 346 3HG2 VAL 43 2HG2 VAL 43 -8.935 -0.944 19.501 347 H VAL 44 HN VAL 44 -11.060 -2.162 24.026 348 HA VAL 44 HA VAL 44 -12.127 -4.397 22.420 349 HB VAL 44 HB VAL 44 -10.158 -4.735 24.700 350 1HG1 VAL 44 3HG1 VAL 44 -12.236 -6.530 23.575 351 2HG1 VAL 44 2HG1 VAL 44 -10.637 -7.247 23.783 352 3HG1 VAL 44 1HG1 VAL 44 -11.476 -6.546 25.167 353 1HG2 VAL 44 2HG2 VAL 44 -10.134 -5.279 21.736 354 2HG2 VAL 44 1HG2 VAL 44 -8.931 -4.433 22.712 355 3HG2 VAL 44 3HG2 VAL 44 -9.086 -6.186 22.826 356 HA PRO 45 HA PRO 45 -14.779 -2.756 25.937 357 1HB PRO 45 2HB PRO 45 -16.941 -2.865 24.036 358 2HB PRO 45 1HB PRO 45 -16.219 -1.436 24.777 359 1HG PRO 45 2HG PRO 45 -15.971 -2.338 22.058 360 2HG PRO 45 1HG PRO 45 -15.255 -0.903 22.795 361 1HD PRO 45 2HD PRO 45 -13.917 -3.326 21.979 362 2HD PRO 45 1HD PRO 45 -13.198 -1.883 22.734 363 H ILE 46 HN ILE 46 -17.522 -3.924 25.309 364 HA ILE 46 HA ILE 46 -17.358 -6.418 26.590 365 HB ILE 46 HB ILE 46 -19.261 -5.627 24.355 366 1HG1 ILE 46 2HG1 ILE 46 -19.257 -3.780 25.859 367 2HG1 ILE 46 1HG1 ILE 46 -20.641 -4.760 26.340 368 1HG2 ILE 46 3HG2 ILE 46 -19.076 -7.940 25.945 369 2HG2 ILE 46 2HG2 ILE 46 -20.388 -6.996 26.648 370 3HG2 ILE 46 1HG2 ILE 46 -20.445 -7.452 24.946 371 1HD1 ILE 46 1HD1 ILE 46 -19.063 -5.904 28.005 372 2HD1 ILE 46 3HD1 ILE 46 -17.928 -4.596 27.666 373 3HD1 ILE 46 2HD1 ILE 46 -19.505 -4.236 28.369 374 H LEU 47 HN LEU 47 -16.872 -5.555 23.224 375 HA LEU 47 HA LEU 47 -15.696 -8.243 22.697 376 1HB LEU 47 2HB LEU 47 -17.941 -6.827 21.238 377 2HB LEU 47 1HB LEU 47 -16.967 -8.066 20.445 378 HG LEU 47 HG LEU 47 -17.521 -9.514 22.539 379 1HD1 LEU 47 1HD1 LEU 47 -18.935 -7.094 23.129 380 2HD1 LEU 47 3HD1 LEU 47 -20.118 -8.377 22.874 381 3HD1 LEU 47 2HD1 LEU 47 -18.853 -8.572 24.088 382 1HD2 LEU 47 2HD2 LEU 47 -18.386 -9.901 20.235 383 2HD2 LEU 47 1HD2 LEU 47 -19.579 -10.306 21.467 384 3HD2 LEU 47 3HD2 LEU 47 -19.716 -8.794 20.570 385 H CYS 48 HN CYS 48 -16.540 -5.487 20.611 386 HA CYS 48 HA CYS 48 -13.646 -4.789 20.360 387 1HB CYS 48 2HB CYS 48 -15.601 -5.247 18.079 388 2HB CYS 48 1HB CYS 48 -13.894 -4.833 17.919 389 H SER 49 HN SER 49 -13.348 -2.560 20.218 390 HA SER 49 HA SER 49 -15.514 -0.783 20.821 391 1HB SER 49 2HB SER 49 -13.778 0.938 20.467 392 2HB SER 49 1HB SER 49 -13.136 -0.425 21.384 393 HG SER 49 HG SER 49 -12.476 -1.247 19.238 394 H ASN 50 HN ASN 50 -13.804 -1.480 17.773 395 HA ASN 50 HA ASN 50 -15.408 0.431 16.243 396 1HB ASN 50 2HB ASN 50 -13.270 -1.617 15.758 397 2HB ASN 50 1HB ASN 50 -14.172 -0.990 14.378 398 1HD2 ASN 50 1HD2 ASN 50 -14.314 1.541 14.355 399 2HD2 ASN 50 2HD2 ASN 50 -12.915 2.380 14.827 400 HA PRO 51 HA PRO 51 -18.786 -2.573 16.090 401 1HB PRO 51 2HB PRO 51 -20.146 -0.706 14.376 402 2HB PRO 51 1HB PRO 51 -20.473 -1.063 16.073 403 1HG PRO 51 2HG PRO 51 -19.281 1.306 14.960 404 2HG PRO 51 1HG PRO 51 -19.629 0.957 16.655 405 1HD PRO 51 2HD PRO 51 -17.052 1.058 15.370 406 2HD PRO 51 1HD PRO 51 -17.408 0.673 17.069 407 H ASN 52 HN ASN 52 -16.936 -1.121 13.531 408 HA ASN 52 HA ASN 52 -17.871 -3.282 11.670 409 1HB ASN 52 2HB ASN 52 -17.117 -0.395 11.151 410 2HB ASN 52 1HB ASN 52 -17.433 -1.569 9.877 411 1HD2 ASN 52 1HD2 ASN 52 -19.607 -2.942 11.269 412 2HD2 ASN 52 2HD2 ASN 52 -20.930 -1.880 11.306 413 H PHE 53 HN PHE 53 -15.570 -3.415 13.506 414 HA PHE 53 HA PHE 53 -13.166 -2.923 11.892 415 1HB PHE 53 2HB PHE 53 -12.044 -3.519 13.861 416 2HB PHE 53 1HB PHE 53 -13.583 -2.955 14.508 417 HD1 PHE 53 HD1 PHE 53 -15.480 -5.006 14.243 418 HD2 PHE 53 HD2 PHE 53 -11.261 -5.431 14.940 419 HE1 PHE 53 HE1 PHE 53 -15.872 -7.228 15.267 420 HE2 PHE 53 HE2 PHE 53 -11.656 -7.661 15.967 421 HZ PHE 53 HZ PHE 53 -13.963 -8.554 16.127 422 HA PRO 54 HA PRO 54 -12.739 -6.784 9.850 423 1HB PRO 54 2HB PRO 54 -10.379 -7.727 11.207 424 2HB PRO 54 1HB PRO 54 -10.487 -6.972 9.615 425 1HG PRO 54 2HG PRO 54 -9.455 -5.836 12.056 426 2HG PRO 54 1HG PRO 54 -9.516 -5.101 10.452 427 1HD PRO 54 2HD PRO 54 -11.098 -4.416 12.748 428 2HD PRO 54 1HD PRO 54 -11.226 -3.736 11.109 429 H GLU 55 HN GLU 55 -14.680 -7.343 11.267 430 HA GLU 55 HA GLU 55 -14.814 -8.579 13.696 431 1HB GLU 55 2HB GLU 55 -16.663 -8.190 12.094 432 2HB GLU 55 1HB GLU 55 -16.094 -9.555 11.126 433 1HG GLU 55 2HG GLU 55 -16.396 -11.038 13.115 434 2HG GLU 55 1HG GLU 55 -17.072 -9.668 13.996 435 H GLU 56 HN GLU 56 -13.314 -9.939 10.809 436 HA GLU 56 HA GLU 56 -13.118 -12.665 11.517 437 1HB GLU 56 2HB GLU 56 -11.119 -10.778 10.216 438 2HB GLU 56 1HB GLU 56 -10.997 -12.537 10.169 439 1HG GLU 56 2HG GLU 56 -13.249 -12.624 9.092 440 2HG GLU 56 1HG GLU 56 -13.268 -10.861 9.055 441 H LEU 57 HN LEU 57 -11.821 -9.879 13.046 442 HA LEU 57 HA LEU 57 -9.691 -11.331 14.502 443 1HB LEU 57 2HB LEU 57 -10.739 -8.483 14.662 444 2HB LEU 57 1HB LEU 57 -9.255 -9.072 15.408 445 HG LEU 57 HG LEU 57 -9.867 -8.972 12.440 446 1HD1 LEU 57 1HD1 LEU 57 -9.208 -6.840 13.720 447 2HD1 LEU 57 3HD1 LEU 57 -7.637 -7.605 13.955 448 3HD1 LEU 57 2HD1 LEU 57 -8.217 -7.263 12.324 449 1HD2 LEU 57 2HD2 LEU 57 -7.651 -10.240 14.032 450 2HD2 LEU 57 1HD2 LEU 57 -8.558 -10.905 12.674 451 3HD2 LEU 57 3HD2 LEU 57 -7.349 -9.652 12.398 452 H LYS 58 HN LYS 58 -12.916 -11.398 14.752 453 HA LYS 58 HA LYS 58 -13.879 -10.610 17.187 454 1HB LYS 58 2HB LYS 58 -14.204 -12.924 15.390 455 2HB LYS 58 1HB LYS 58 -14.748 -13.218 17.041 456 1HG LYS 58 2HG LYS 58 -16.170 -11.224 16.957 457 2HG LYS 58 1HG LYS 58 -15.578 -10.846 15.340 458 1HD LYS 58 2HD LYS 58 -16.916 -12.402 14.359 459 2HD LYS 58 1HD LYS 58 -16.629 -13.586 15.634 460 1HE LYS 58 2HE LYS 58 -18.311 -12.638 17.036 461 2HE LYS 58 1HE LYS 58 -18.382 -11.151 16.072 462 1HZ LYS 58 3HZ LYS 58 -19.024 -13.871 15.049 463 2HZ LYS 58 2HZ LYS 58 -20.187 -12.727 15.524 464 3HZ LYS 58 1HZ LYS 58 -19.175 -12.413 14.195 465 HA PRO 59 HA PRO 59 -11.790 -14.492 19.321 466 1HB PRO 59 2HB PRO 59 -9.351 -14.882 17.836 467 2HB PRO 59 1HB PRO 59 -10.668 -16.030 18.091 468 1HG PRO 59 2HG PRO 59 -10.003 -14.556 15.687 469 2HG PRO 59 1HG PRO 59 -11.236 -15.801 15.906 470 1HD PRO 59 2HD PRO 59 -11.672 -13.020 15.514 471 2HD PRO 59 1HD PRO 59 -12.898 -14.228 15.957 472 H LEU 60 HN LEU 60 -9.703 -12.125 17.591 473 HA LEU 60 HA LEU 60 -7.788 -11.727 19.638 474 1HB LEU 60 2HB LEU 60 -8.945 -10.121 17.379 475 2HB LEU 60 1HB LEU 60 -7.813 -9.349 18.487 476 HG LEU 60 HG LEU 60 -6.289 -11.383 18.074 477 1HD1 LEU 60 1HD1 LEU 60 -8.196 -11.649 15.727 478 2HD1 LEU 60 3HD1 LEU 60 -6.680 -12.530 15.913 479 3HD1 LEU 60 2HD1 LEU 60 -8.008 -12.813 17.038 480 1HD2 LEU 60 2HD2 LEU 60 -6.920 -9.476 15.800 481 2HD2 LEU 60 1HD2 LEU 60 -5.837 -9.148 17.151 482 3HD2 LEU 60 3HD2 LEU 60 -5.424 -10.393 15.972 483 H CYS 61 HN CYS 61 -10.991 -10.228 19.149 484 HA CYS 61 HA CYS 61 -10.789 -8.312 21.278 485 1HB CYS 61 2HB CYS 61 -12.961 -9.648 19.686 486 2HB CYS 61 1HB CYS 61 -13.395 -8.612 21.045 487 H LYS 62 HN LYS 62 -11.641 -11.734 21.202 488 HA LYS 62 HA LYS 62 -12.658 -11.684 23.972 489 1HB LYS 62 2HB LYS 62 -12.209 -13.868 21.915 490 2HB LYS 62 1HB LYS 62 -13.000 -14.115 23.472 491 1HG LYS 62 2HG LYS 62 -14.684 -12.383 22.853 492 2HG LYS 62 1HG LYS 62 -13.923 -12.246 21.268 493 1HD LYS 62 2HD LYS 62 -15.699 -13.767 20.915 494 2HD LYS 62 1HD LYS 62 -14.284 -14.803 21.094 495 1HE LYS 62 2HE LYS 62 -14.925 -14.828 23.635 496 2HE LYS 62 1HE LYS 62 -16.518 -14.304 23.056 497 1HZ LYS 62 1HZ LYS 62 -15.026 -16.586 21.877 498 2HZ LYS 62 3HZ LYS 62 -16.164 -16.782 23.120 499 3HZ LYS 62 2HZ LYS 62 -16.650 -16.162 21.614 500 H GLU 63 HN GLU 63 -9.588 -11.540 22.788 501 HA GLU 63 HA GLU 63 -8.537 -13.328 24.956 502 1HB GLU 63 2HB GLU 63 -6.576 -13.629 23.460 503 2HB GLU 63 1HB GLU 63 -8.072 -14.146 22.683 504 1HG GLU 63 2HG GLU 63 -8.212 -12.073 21.440 505 2HG GLU 63 1HG GLU 63 -6.844 -11.398 22.325 506 HA PRO 64 HA PRO 64 -6.748 -9.765 26.797 507 1HB PRO 64 2HB PRO 64 -4.403 -11.214 27.612 508 2HB PRO 64 1HB PRO 64 -5.821 -10.802 28.579 509 1HG PRO 64 2HG PRO 64 -5.053 -13.385 27.610 510 2HG PRO 64 1HG PRO 64 -6.499 -12.964 28.532 511 1HD PRO 64 2HD PRO 64 -6.303 -13.677 25.726 512 2HD PRO 64 1HD PRO 64 -7.768 -13.337 26.677 513 H ASN 65 HN ASN 65 -4.996 -11.619 24.400 514 HA ASN 65 HA ASN 65 -2.738 -9.767 24.206 515 1HB ASN 65 2HB ASN 65 -3.798 -11.994 22.440 516 2HB ASN 65 1HB ASN 65 -2.239 -11.201 22.216 517 1HD2 ASN 65 1HD2 ASN 65 -2.304 -13.978 22.751 518 2HD2 ASN 65 2HD2 ASN 65 -1.701 -14.263 24.311 519 H ALA 66 HN ALA 66 -5.966 -9.700 23.114 520 HA ALA 66 HA ALA 66 -5.956 -8.620 20.552 521 1HB ALA 66 3HB ALA 66 -7.719 -8.933 22.638 522 2HB ALA 66 1HB ALA 66 -8.114 -8.146 21.110 523 3HB ALA 66 2HB ALA 66 -7.630 -7.178 22.503 524 H GLN 67 HN GLN 67 -5.399 -6.831 23.605 525 HA GLN 67 HA GLN 67 -5.119 -4.234 22.497 526 1HB GLN 67 2HB GLN 67 -3.837 -5.586 24.891 527 2HB GLN 67 1HB GLN 67 -3.828 -3.844 24.620 528 1HG GLN 67 2HG GLN 67 -6.303 -3.841 24.598 529 2HG GLN 67 1HG GLN 67 -6.302 -5.581 24.889 530 1HE2 GLN 67 1HE2 GLN 67 -7.561 -3.954 26.788 531 2HE2 GLN 67 2HE2 GLN 67 -6.628 -3.892 28.205 532 H GLU 68 HN GLU 68 -2.650 -6.774 23.024 533 HA GLU 68 HA GLU 68 -0.479 -5.125 21.988 534 1HB GLU 68 2HB GLU 68 -0.830 -8.078 22.588 535 2HB GLU 68 1HB GLU 68 0.710 -7.355 22.121 536 1HG GLU 68 2HG GLU 68 -0.956 -6.535 24.522 537 2HG GLU 68 1HG GLU 68 0.503 -7.524 24.584 538 H ILE 69 HN ILE 69 -2.705 -7.526 20.659 539 HA ILE 69 HA ILE 69 -1.292 -7.859 18.137 540 HB ILE 69 HB ILE 69 -4.153 -8.385 19.007 541 1HG1 ILE 69 2HG1 ILE 69 -1.807 -10.287 18.742 542 2HG1 ILE 69 1HG1 ILE 69 -2.328 -9.575 20.270 543 1HG2 ILE 69 2HG2 ILE 69 -2.592 -9.085 16.522 544 2HG2 ILE 69 1HG2 ILE 69 -3.940 -10.086 17.059 545 3HG2 ILE 69 3HG2 ILE 69 -4.210 -8.394 16.646 546 1HD1 ILE 69 3HD1 ILE 69 -4.465 -10.851 18.655 547 2HD1 ILE 69 2HD1 ILE 69 -3.262 -11.950 19.332 548 3HD1 ILE 69 1HD1 ILE 69 -4.191 -10.895 20.398 549 H LEU 70 HN LEU 70 -4.173 -5.994 19.152 550 HA LEU 70 HA LEU 70 -4.965 -4.872 16.728 551 1HB LEU 70 2HB LEU 70 -6.107 -4.568 18.872 552 2HB LEU 70 1HB LEU 70 -4.753 -3.621 19.486 553 HG LEU 70 HG LEU 70 -6.894 -2.425 18.467 554 1HD1 LEU 70 2HD1 LEU 70 -4.570 -1.517 19.248 555 2HD1 LEU 70 1HD1 LEU 70 -4.225 -1.408 17.522 556 3HD1 LEU 70 3HD1 LEU 70 -5.574 -0.505 18.210 557 1HD2 LEU 70 1HD2 LEU 70 -6.508 -3.778 16.296 558 2HD2 LEU 70 3HD2 LEU 70 -6.827 -2.052 16.132 559 3HD2 LEU 70 2HD2 LEU 70 -5.178 -2.662 15.996 560 H GLN 71 HN GLN 71 -2.672 -3.282 19.005 561 HA GLN 71 HA GLN 71 -1.867 -1.142 17.395 562 1HB GLN 71 2HB GLN 71 -0.300 -2.903 19.305 563 2HB GLN 71 1HB GLN 71 0.271 -1.339 18.722 564 1HG GLN 71 2HG GLN 71 -1.712 -0.244 19.683 565 2HG GLN 71 1HG GLN 71 -2.318 -1.807 20.237 566 1HE2 GLN 71 1HE2 GLN 71 -1.283 0.710 21.740 567 2HE2 GLN 71 2HE2 GLN 71 -0.156 0.077 22.840 568 H ARG 72 HN ARG 72 -0.292 -4.359 17.556 569 HA ARG 72 HA ARG 72 1.671 -4.018 15.579 570 1HB ARG 72 2HB ARG 72 1.250 -5.975 17.123 571 2HB ARG 72 1HB ARG 72 -0.051 -6.474 16.042 572 1HG ARG 72 2HG ARG 72 1.579 -6.594 14.170 573 2HG ARG 72 1HG ARG 72 2.871 -6.157 15.288 574 1HD ARG 72 2HD ARG 72 1.098 -8.617 15.544 575 2HD ARG 72 1HD ARG 72 2.783 -8.613 14.991 576 HE ARG 72 HE ARG 72 1.866 -7.968 17.752 577 1HH1 ARG 72 1HH1 ARG 72 4.237 -6.359 16.556 578 2HH1 ARG 72 2HH1 ARG 72 5.571 -7.254 17.204 579 1HH2 ARG 72 1HH2 ARG 72 3.638 -9.989 18.104 580 2HH2 ARG 72 2HH2 ARG 72 5.231 -9.310 18.081 581 H LEU 73 HN LEU 73 -1.630 -5.332 15.081 582 HA LEU 73 HA LEU 73 -1.601 -5.604 12.291 583 1HB LEU 73 2HB LEU 73 -3.794 -4.677 14.175 584 2HB LEU 73 1HB LEU 73 -4.074 -5.262 12.535 585 HG LEU 73 HG LEU 73 -2.815 -6.823 14.811 586 1HD1 LEU 73 3HD1 LEU 73 -5.377 -6.432 14.673 587 2HD1 LEU 73 2HD1 LEU 73 -5.316 -7.502 13.272 588 3HD1 LEU 73 1HD1 LEU 73 -4.804 -8.090 14.853 589 1HD2 LEU 73 2HD2 LEU 73 -2.685 -7.130 11.914 590 2HD2 LEU 73 1HD2 LEU 73 -1.800 -7.996 13.169 591 3HD2 LEU 73 3HD2 LEU 73 -3.408 -8.540 12.690 592 H GLU 74 HN GLU 74 -2.539 -2.695 14.173 593 HA GLU 74 HA GLU 74 -3.172 -0.968 12.049 594 1HB GLU 74 2HB GLU 74 -1.721 -0.408 14.658 595 2HB GLU 74 1HB GLU 74 -2.546 0.804 13.677 596 1HG GLU 74 2HG GLU 74 -4.667 -0.485 13.937 597 2HG GLU 74 1HG GLU 74 -3.823 -1.607 15.003 598 H GLU 75 HN GLU 75 0.042 -1.501 13.557 599 HA GLU 75 HA GLU 75 1.538 0.280 11.941 600 1HB GLU 75 2HB GLU 75 2.270 -0.922 14.006 601 2HB GLU 75 1HB GLU 75 2.330 -2.422 13.080 602 1HG GLU 75 2HG GLU 75 3.975 -1.349 11.533 603 2HG GLU 75 1HG GLU 75 3.972 0.077 12.571 604 H ILE 76 HN ILE 76 0.938 -3.226 11.449 605 HA ILE 76 HA ILE 76 2.290 -3.422 8.934 606 HB ILE 76 HB ILE 76 -0.083 -4.977 10.021 607 1HG1 ILE 76 2HG1 ILE 76 1.642 -4.970 11.696 608 2HG1 ILE 76 1HG1 ILE 76 1.765 -6.514 10.853 609 1HG2 ILE 76 3HG2 ILE 76 1.815 -5.341 7.754 610 2HG2 ILE 76 2HG2 ILE 76 1.409 -6.779 8.690 611 3HG2 ILE 76 1HG2 ILE 76 0.133 -5.849 7.904 612 1HD1 ILE 76 1HD1 ILE 76 3.563 -5.589 9.431 613 2HD1 ILE 76 3HD1 ILE 76 3.442 -4.050 10.281 614 3HD1 ILE 76 2HD1 ILE 76 3.992 -5.490 11.138 615 H ALA 77 HN ALA 77 -1.057 -2.600 9.792 616 HA ALA 77 HA ALA 77 -2.235 -2.635 7.211 617 1HB ALA 77 3HB ALA 77 -2.994 -2.040 9.762 618 2HB ALA 77 1HB ALA 77 -3.979 -1.666 8.348 619 3HB ALA 77 2HB ALA 77 -2.950 -0.422 9.059 620 H GLU 78 HN GLU 78 -0.189 -0.233 8.799 621 HA GLU 78 HA GLU 78 -0.540 1.936 6.978 622 1HB GLU 78 2HB GLU 78 0.511 2.067 9.203 623 2HB GLU 78 1HB GLU 78 1.845 1.062 8.639 624 1HG GLU 78 2HG GLU 78 2.390 2.783 6.932 625 2HG GLU 78 1HG GLU 78 1.090 3.796 7.561 626 H ASP 79 HN ASP 79 1.770 -0.797 6.954 627 HA ASP 79 HA ASP 79 2.185 -0.344 4.042 628 1HB ASP 79 2HB ASP 79 4.030 0.261 6.233 629 2HB ASP 79 1HB ASP 79 4.739 -0.825 5.039 630 HA PRO 80 HA PRO 80 2.410 -4.708 3.677 631 1HB PRO 80 2HB PRO 80 5.006 -4.823 2.438 632 2HB PRO 80 1HB PRO 80 3.423 -4.918 1.662 633 1HG PRO 80 2HG PRO 80 5.301 -2.731 1.613 634 2HG PRO 80 1HG PRO 80 3.743 -2.849 0.792 635 1HD PRO 80 2HD PRO 80 4.408 -1.198 3.045 636 2HD PRO 80 1HD PRO 80 2.814 -1.386 2.276 637 H GLY 81 HN GLY 81 5.743 -3.546 4.353 638 1HA GLY 81 1HA GLY 81 5.813 -4.826 6.950 639 2HA GLY 81 2HA GLY 81 7.192 -4.102 6.123 640 H THR 82 HN THR 82 7.312 -5.572 3.798 641 HA THR 82 HA THR 82 8.372 -7.550 3.048 642 HB THR 82 HB THR 82 9.520 -8.785 4.642 643 HG1 THR 82 1HG THR 82 8.400 -8.693 6.908 644 1HG2 THR 82 3HG2 THR 82 9.387 -6.092 5.096 645 2HG2 THR 82 2HG2 THR 82 8.953 -6.732 6.681 646 3HG2 THR 82 1HG2 THR 82 10.484 -7.190 5.935 647 H CYS 83 HN CYS 83 5.722 -8.038 5.407 648 HA CYS 83 HA CYS 83 4.817 -10.574 4.856 649 1HB CYS 83 2HB CYS 83 3.788 -8.793 6.322 650 2HB CYS 83 1HB CYS 83 3.087 -8.080 4.869 651 H GLU 84 HN GLU 84 4.151 -7.699 2.825 652 HA GLU 84 HA GLU 84 2.650 -9.050 0.808 653 1HB GLU 84 2HB GLU 84 2.780 -6.598 1.213 654 2HB GLU 84 1HB GLU 84 4.441 -6.608 0.621 655 1HG GLU 84 2HG GLU 84 3.636 -7.497 -1.555 656 2HG GLU 84 1HG GLU 84 1.978 -7.415 -0.959 657 H ILE 85 HN ILE 85 6.163 -8.347 1.021 658 HA ILE 85 HA ILE 85 6.666 -9.697 -1.544 659 HB ILE 85 HB ILE 85 8.878 -8.886 -1.238 660 1HG1 ILE 85 2HG1 ILE 85 8.178 -8.882 1.701 661 2HG1 ILE 85 1HG1 ILE 85 9.466 -9.774 0.894 662 1HG2 ILE 85 2HG2 ILE 85 6.665 -7.208 -0.826 663 2HG2 ILE 85 1HG2 ILE 85 7.846 -6.712 0.386 664 3HG2 ILE 85 3HG2 ILE 85 8.283 -6.713 -1.323 665 1HD1 ILE 85 2HD1 ILE 85 10.413 -7.477 0.233 666 2HD1 ILE 85 1HD1 ILE 85 9.294 -6.801 1.417 667 3HD1 ILE 85 3HD1 ILE 85 10.550 -7.925 1.934 668 H CYS 86 HN CYS 86 5.641 -11.102 1.060 669 HA CYS 86 HA CYS 86 5.982 -13.191 2.107 670 1HB CYS 86 2HB CYS 86 6.527 -13.303 -0.690 671 2HB CYS 86 1HB CYS 86 7.697 -14.346 0.119 672 H ALA 87 HN ALA 87 8.219 -10.956 2.171 673 HA ALA 87 HA ALA 87 10.729 -12.337 2.490 674 1HB ALA 87 1HB ALA 87 10.928 -10.072 4.001 675 2HB ALA 87 2HB ALA 87 9.527 -9.676 3.006 676 3HB ALA 87 3HB ALA 87 11.063 -10.083 2.243 677 H TYR 88 HN TYR 88 7.941 -11.921 4.530 678 HA TYR 88 HA TYR 88 9.381 -13.332 6.749 679 1HB TYR 88 2HB TYR 88 7.551 -10.923 6.779 680 2HB TYR 88 1HB TYR 88 7.837 -11.885 8.228 681 HD1 TYR 88 HD1 TYR 88 9.773 -10.271 5.448 682 HD2 TYR 88 HD2 TYR 88 9.603 -11.267 9.619 683 HE1 TYR 88 HE1 TYR 88 11.908 -9.067 5.818 684 HE2 TYR 88 HE2 TYR 88 11.739 -10.062 9.993 685 HH TYR 88 HH TYR 88 13.012 -8.181 8.845 686 H ALA 89 HN ALA 89 7.691 -14.361 8.279 687 HA ALA 89 HA ALA 89 5.778 -15.891 6.670 688 1HB ALA 89 1HB ALA 89 6.462 -17.306 8.302 689 2HB ALA 89 2HB ALA 89 5.397 -16.420 9.393 690 3HB ALA 89 3HB ALA 89 7.100 -15.976 9.269 691 H ALA 90 HN ALA 90 5.641 -12.853 7.998 692 HA ALA 90 HA ALA 90 3.169 -12.722 9.387 693 1HB ALA 90 3HB ALA 90 5.174 -11.018 8.481 694 2HB ALA 90 1HB ALA 90 3.739 -10.528 9.382 695 3HB ALA 90 2HB ALA 90 3.740 -10.461 7.619 696 H CYS 91 HN CYS 91 3.853 -13.036 5.957 697 HA CYS 91 HA CYS 91 0.948 -12.638 5.343 698 1HB CYS 91 2HB CYS 91 3.474 -11.883 4.132 699 2HB CYS 91 1HB CYS 91 2.463 -12.760 2.983 700 H THR 92 HN THR 92 -0.202 -14.448 4.794 701 HA THR 92 HA THR 92 1.327 -16.915 4.026 702 HB THR 92 HB THR 92 -0.439 -18.130 5.126 703 HG1 THR 92 1HG THR 92 -1.814 -15.756 5.698 704 1HG2 THR 92 2HG2 THR 92 1.145 -16.242 6.444 705 2HG2 THR 92 1HG2 THR 92 -0.466 -16.017 7.125 706 3HG2 THR 92 3HG2 THR 92 0.304 -17.603 7.186 707 H GLY 93 HN GLY 93 0.116 -18.356 2.474 708 1HA GLY 93 1HA GLY 93 -1.990 -17.052 0.875 709 2HA GLY 93 2HA GLY 93 -1.426 -18.711 0.687 710 H CYS 94 HN CYS 94 0.917 -16.140 0.887 711 HA CYS 94 HA CYS 94 2.191 -15.064 -0.819 712 1HB CYS 94 2HB CYS 94 2.373 -17.977 -0.757 713 2HB CYS 94 1HB CYS 94 2.836 -17.325 -2.329 No H/Q in entry = 713 Start of MODEL 7 1 H1 VAL 1 2H VAL 1 -1.670 -12.696 0.527 2 H2 VAL 1 1H VAL 1 -1.745 -11.530 -0.706 3 H3 VAL 1 3H VAL 1 -0.413 -12.576 -0.609 4 HA VAL 1 HA VAL 1 0.488 -11.502 1.231 5 HB VAL 1 HB VAL 1 -0.954 -9.505 -0.544 6 1HG1 VAL 1 3HG1 VAL 1 0.051 -8.635 1.652 7 2HG1 VAL 1 2HG1 VAL 1 1.621 -9.077 0.981 8 3HG1 VAL 1 1HG1 VAL 1 0.624 -7.869 0.170 9 1HG2 VAL 1 3HG2 VAL 1 0.546 -11.284 -1.605 10 2HG2 VAL 1 2HG2 VAL 1 0.976 -9.608 -1.949 11 3HG2 VAL 1 1HG2 VAL 1 1.887 -10.524 -0.748 12 H THR 2 HN THR 2 -1.113 -12.312 2.944 13 HA THR 2 HA THR 2 -2.789 -10.024 3.930 14 HB THR 2 HB THR 2 -3.290 -13.010 4.161 15 HG1 THR 2 1HG THR 2 -3.931 -12.692 2.187 16 1HG2 THR 2 1HG2 THR 2 -4.809 -10.555 5.045 17 2HG2 THR 2 3HG2 THR 2 -5.613 -12.105 4.805 18 3HG2 THR 2 2HG2 THR 2 -4.336 -11.953 6.010 19 H VAL 3 HN VAL 3 -2.768 -9.699 6.196 20 HA VAL 3 HA VAL 3 -0.372 -10.674 7.598 21 HB VAL 3 HB VAL 3 -2.697 -8.888 8.398 22 1HG1 VAL 3 1HG1 VAL 3 -1.220 -10.071 10.215 23 2HG1 VAL 3 3HG1 VAL 3 0.010 -8.913 9.708 24 3HG1 VAL 3 2HG1 VAL 3 -1.528 -8.340 10.351 25 1HG2 VAL 3 2HG2 VAL 3 -0.431 -8.496 6.681 26 2HG2 VAL 3 1HG2 VAL 3 -1.678 -7.333 7.132 27 3HG2 VAL 3 3HG2 VAL 3 -0.228 -7.500 8.122 28 H GLN 4 HN GLN 4 -0.516 -12.747 8.435 29 HA GLN 4 HA GLN 4 -3.118 -13.563 9.680 30 1HB GLN 4 2HB GLN 4 -2.282 -14.851 7.719 31 2HB GLN 4 1HB GLN 4 -0.810 -15.220 8.616 32 1HG GLN 4 2HG GLN 4 -2.264 -16.253 10.405 33 2HG GLN 4 1HG GLN 4 -3.637 -16.049 9.320 34 1HE2 GLN 4 1HE2 GLN 4 -1.361 -18.305 10.259 35 2HE2 GLN 4 2HE2 GLN 4 -1.332 -19.266 8.860 36 H ASP 5 HN ASP 5 -3.120 -13.998 11.844 37 HA ASP 5 HA ASP 5 -0.556 -13.776 13.338 38 1HB ASP 5 2HB ASP 5 -2.591 -12.420 13.908 39 2HB ASP 5 1HB ASP 5 -3.438 -13.921 14.281 40 H GLY 6 HN GLY 6 -3.477 -15.728 13.900 41 1HA GLY 6 1HA GLY 6 -3.395 -17.858 15.078 42 2HA GLY 6 2HA GLY 6 -1.714 -18.033 14.568 43 H ASN 7 HN ASN 7 -4.534 -19.460 14.081 44 HA ASN 7 HA ASN 7 -3.772 -20.518 11.462 45 1HB ASN 7 2HB ASN 7 -6.195 -20.952 13.237 46 2HB ASN 7 1HB ASN 7 -5.724 -21.978 11.883 47 1HD2 ASN 7 1HD2 ASN 7 -2.797 -21.638 12.551 48 2HD2 ASN 7 2HD2 ASN 7 -2.532 -22.621 13.909 49 H PHE 8 HN PHE 8 -5.259 -17.680 12.239 50 HA PHE 8 HA PHE 8 -7.095 -17.811 9.868 51 1HB PHE 8 2HB PHE 8 -7.197 -16.177 12.422 52 2HB PHE 8 1HB PHE 8 -8.351 -16.030 11.096 53 HD1 PHE 8 HD1 PHE 8 -9.828 -17.946 10.498 54 HD2 PHE 8 HD2 PHE 8 -7.262 -18.043 13.942 55 HE1 PHE 8 HE1 PHE 8 -11.109 -19.869 11.398 56 HE2 PHE 8 HE2 PHE 8 -8.544 -19.965 14.843 57 HZ PHE 8 HZ PHE 8 -10.467 -20.879 13.570 58 H SER 9 HN SER 9 -6.694 -16.353 8.235 59 HA SER 9 HA SER 9 -4.350 -14.575 8.463 60 1HB SER 9 2HB SER 9 -4.845 -16.050 6.500 61 2HB SER 9 1HB SER 9 -6.295 -15.095 6.190 62 HG SER 9 HG SER 9 -4.365 -14.471 4.994 63 H PHE 10 HN PHE 10 -4.492 -12.349 8.692 64 HA PHE 10 HA PHE 10 -7.246 -11.163 8.731 65 1HB PHE 10 2HB PHE 10 -4.692 -10.474 10.216 66 2HB PHE 10 1HB PHE 10 -6.201 -9.573 10.360 67 HD1 PHE 10 HD1 PHE 10 -8.339 -11.091 10.854 68 HD2 PHE 10 HD2 PHE 10 -4.282 -12.174 11.756 69 HE1 PHE 10 HE1 PHE 10 -9.145 -12.704 12.551 70 HE2 PHE 10 HE2 PHE 10 -5.092 -13.789 13.455 71 HZ PHE 10 HZ PHE 10 -7.525 -14.054 13.854 72 H SER 11 HN SER 11 -7.631 -9.656 7.157 73 HA SER 11 HA SER 11 -5.513 -8.731 5.380 74 1HB SER 11 2HB SER 11 -7.910 -9.230 4.780 75 2HB SER 11 1HB SER 11 -8.386 -7.804 5.703 76 HG SER 11 HG SER 11 -7.805 -7.771 3.247 77 H LEU 12 HN LEU 12 -5.419 -6.236 4.954 78 HA LEU 12 HA LEU 12 -5.054 -4.892 7.596 79 1HB LEU 12 2HB LEU 12 -4.019 -4.284 4.807 80 2HB LEU 12 1HB LEU 12 -3.549 -3.430 6.276 81 HG LEU 12 HG LEU 12 -2.855 -5.736 7.190 82 1HD1 LEU 12 2HD1 LEU 12 -3.569 -6.355 4.362 83 2HD1 LEU 12 1HD1 LEU 12 -2.117 -7.122 5.008 84 3HD1 LEU 12 3HD1 LEU 12 -3.674 -7.375 5.797 85 1HD2 LEU 12 1HD2 LEU 12 -1.519 -3.827 5.576 86 2HD2 LEU 12 3HD2 LEU 12 -0.796 -4.962 6.715 87 3HD2 LEU 12 2HD2 LEU 12 -0.986 -5.413 5.021 88 H GLU 13 HN GLU 13 -7.444 -5.075 5.347 89 HA GLU 13 HA GLU 13 -8.024 -2.290 4.813 90 1HB GLU 13 2HB GLU 13 -8.801 -4.250 3.486 91 2HB GLU 13 1HB GLU 13 -9.820 -4.734 4.842 92 1HG GLU 13 2HG GLU 13 -10.992 -2.542 4.707 93 2HG GLU 13 1HG GLU 13 -10.009 -2.124 3.304 94 H SER 14 HN SER 14 -10.104 -4.512 6.698 95 HA SER 14 HA SER 14 -11.558 -2.593 8.107 96 1HB SER 14 2HB SER 14 -10.554 -5.196 9.280 97 2HB SER 14 1HB SER 14 -12.098 -4.399 9.588 98 HG SER 14 HG SER 14 -12.470 -6.008 8.118 99 H VAL 15 HN VAL 15 -8.443 -4.072 9.122 100 HA VAL 15 HA VAL 15 -8.221 -2.743 11.619 101 HB VAL 15 HB VAL 15 -6.280 -3.848 9.590 102 1HG1 VAL 15 2HG1 VAL 15 -5.282 -1.920 10.954 103 2HG1 VAL 15 1HG1 VAL 15 -5.528 -2.936 12.375 104 3HG1 VAL 15 3HG1 VAL 15 -4.453 -3.471 11.084 105 1HG2 VAL 15 2HG2 VAL 15 -7.841 -4.811 11.848 106 2HG2 VAL 15 1HG2 VAL 15 -6.939 -5.737 10.646 107 3HG2 VAL 15 3HG2 VAL 15 -6.122 -5.131 12.087 108 H LYS 16 HN LYS 16 -6.894 -1.755 8.416 109 HA LYS 16 HA LYS 16 -5.782 0.724 9.221 110 1HB LYS 16 2HB LYS 16 -5.520 -0.332 6.994 111 2HB LYS 16 1HB LYS 16 -7.227 -0.040 6.655 112 1HG LYS 16 2HG LYS 16 -6.783 2.425 7.011 113 2HG LYS 16 1HG LYS 16 -5.064 2.039 7.087 114 1HD LYS 16 2HD LYS 16 -5.204 1.034 4.824 115 2HD LYS 16 1HD LYS 16 -6.913 1.464 4.749 116 1HE LYS 16 2HE LYS 16 -4.801 3.565 5.286 117 2HE LYS 16 1HE LYS 16 -5.253 3.107 3.634 118 1HZ LYS 16 3HZ LYS 16 -7.649 3.303 4.784 119 2HZ LYS 16 2HZ LYS 16 -6.810 4.484 5.671 120 3HZ LYS 16 1HZ LYS 16 -6.903 4.596 3.979 121 H LYS 17 HN LYS 17 -9.042 0.092 7.876 122 HA LYS 17 HA LYS 17 -10.019 2.748 8.636 123 1HB LYS 17 2HB LYS 17 -11.418 0.241 7.639 124 2HB LYS 17 1HB LYS 17 -12.108 1.864 7.660 125 1HG LYS 17 2HG LYS 17 -9.563 1.153 6.180 126 2HG LYS 17 1HG LYS 17 -11.157 1.159 5.425 127 1HD LYS 17 2HD LYS 17 -11.390 3.561 6.280 128 2HD LYS 17 1HD LYS 17 -9.664 3.494 6.634 129 1HE LYS 17 2HE LYS 17 -9.311 4.087 4.468 130 2HE LYS 17 1HE LYS 17 -9.922 2.486 4.011 131 1HZ LYS 17 1HZ LYS 17 -11.720 4.748 4.677 132 2HZ LYS 17 3HZ LYS 17 -11.184 4.469 3.093 133 3HZ LYS 17 2HZ LYS 17 -12.115 3.294 3.892 134 H LEU 18 HN LEU 18 -9.136 0.400 10.608 135 HA LEU 18 HA LEU 18 -11.398 -0.401 12.131 136 1HB LEU 18 2HB LEU 18 -9.112 -1.348 12.177 137 2HB LEU 18 1HB LEU 18 -8.507 0.145 12.887 138 HG LEU 18 HG LEU 18 -9.851 -0.205 14.883 139 1HD1 LEU 18 3HD1 LEU 18 -10.946 -2.535 13.296 140 2HD1 LEU 18 2HD1 LEU 18 -11.114 -2.427 15.048 141 3HD1 LEU 18 1HD1 LEU 18 -11.843 -1.197 14.016 142 1HD2 LEU 18 2HD2 LEU 18 -7.643 -1.641 14.228 143 2HD2 LEU 18 1HD2 LEU 18 -8.457 -1.793 15.785 144 3HD2 LEU 18 3HD2 LEU 18 -8.786 -2.958 14.502 145 H LYS 19 HN LYS 19 -9.276 2.466 12.370 146 HA LYS 19 HA LYS 19 -10.348 3.547 14.787 147 1HB LYS 19 2HB LYS 19 -9.150 4.834 12.311 148 2HB LYS 19 1HB LYS 19 -9.394 5.676 13.841 149 1HG LYS 19 2HG LYS 19 -7.933 4.057 14.981 150 2HG LYS 19 1HG LYS 19 -7.709 3.179 13.468 151 1HD LYS 19 2HD LYS 19 -5.794 4.613 13.734 152 2HD LYS 19 1HD LYS 19 -6.801 5.332 12.477 153 1HE LYS 19 2HE LYS 19 -7.880 6.625 14.534 154 2HE LYS 19 1HE LYS 19 -6.311 6.276 15.282 155 1HZ LYS 19 3HZ LYS 19 -5.261 7.109 13.211 156 2HZ LYS 19 2HZ LYS 19 -6.792 7.594 12.659 157 3HZ LYS 19 1HZ LYS 19 -6.120 8.308 14.046 158 H ASP 20 HN ASP 20 -11.275 4.073 11.377 159 HA ASP 20 HA ASP 20 -13.774 5.430 12.330 160 1HB ASP 20 2HB ASP 20 -12.171 6.701 10.887 161 2HB ASP 20 1HB ASP 20 -12.381 5.482 9.631 162 H LEU 21 HN LEU 21 -15.478 3.993 12.307 163 HA LEU 21 HA LEU 21 -15.430 1.720 10.394 164 1HB LEU 21 2HB LEU 21 -15.934 1.715 12.967 165 2HB LEU 21 1HB LEU 21 -17.536 2.265 12.473 166 HG LEU 21 HG LEU 21 -17.699 -0.107 12.538 167 1HD1 LEU 21 1HD1 LEU 21 -17.070 0.704 9.683 168 2HD1 LEU 21 3HD1 LEU 21 -17.959 -0.743 10.154 169 3HD1 LEU 21 2HD1 LEU 21 -18.637 0.852 10.479 170 1HD2 LEU 21 3HD2 LEU 21 -14.903 0.047 11.945 171 2HD2 LEU 21 2HD2 LEU 21 -15.833 -1.362 12.457 172 3HD2 LEU 21 1HD2 LEU 21 -15.667 -0.992 10.741 173 H GLN 22 HN GLN 22 -16.222 2.335 8.409 174 HA GLN 22 HA GLN 22 -18.999 2.894 8.038 175 1HB GLN 22 2HB GLN 22 -18.247 5.044 9.088 176 2HB GLN 22 1HB GLN 22 -17.143 5.279 7.732 177 1HG GLN 22 2HG GLN 22 -19.019 5.297 6.165 178 2HG GLN 22 1HG GLN 22 -20.149 4.942 7.472 179 1HE2 GLN 22 1HE2 GLN 22 -20.675 7.252 6.075 180 2HE2 GLN 22 2HE2 GLN 22 -20.244 8.620 6.981 181 H GLU 23 HN GLU 23 -17.473 1.078 6.759 182 HA GLU 23 HA GLU 23 -17.389 2.112 3.976 183 1HB GLU 23 2HB GLU 23 -15.102 1.470 3.668 184 2HB GLU 23 1HB GLU 23 -15.141 2.365 5.187 185 1HG GLU 23 2HG GLU 23 -15.324 -0.655 4.999 186 2HG GLU 23 1HG GLU 23 -13.826 0.222 5.308 187 HA PRO 24 HA PRO 24 -18.961 -1.829 2.870 188 1HB PRO 24 2HB PRO 24 -17.051 -2.327 0.775 189 2HB PRO 24 1HB PRO 24 -18.702 -1.722 0.621 190 1HG PRO 24 2HG PRO 24 -16.250 -0.271 0.259 191 2HG PRO 24 1HG PRO 24 -17.901 0.333 0.102 192 1HD PRO 24 2HD PRO 24 -15.997 0.902 2.195 193 2HD PRO 24 1HD PRO 24 -17.662 1.509 2.041 194 H GLN 25 HN GLN 25 -18.504 -4.097 3.136 195 HA GLN 25 HA GLN 25 -16.454 -4.816 4.965 196 1HB GLN 25 2HB GLN 25 -18.634 -5.984 4.411 197 2HB GLN 25 1HB GLN 25 -17.859 -6.593 2.949 198 1HG GLN 25 2HG GLN 25 -17.606 -8.307 4.606 199 2HG GLN 25 1HG GLN 25 -16.031 -7.527 4.461 200 1HE2 GLN 25 1HE2 GLN 25 -15.118 -6.958 6.437 201 2HE2 GLN 25 2HE2 GLN 25 -15.987 -6.632 7.857 202 H GLU 26 HN GLU 26 -16.121 -7.159 2.635 203 HA GLU 26 HA GLU 26 -13.651 -5.901 1.491 204 1HB GLU 26 2HB GLU 26 -13.896 -7.977 3.385 205 2HB GLU 26 1HB GLU 26 -13.465 -8.769 1.869 206 1HG GLU 26 2HG GLU 26 -11.719 -6.775 1.714 207 2HG GLU 26 1HG GLU 26 -11.926 -6.751 3.465 208 HA PRO 27 HA PRO 27 -16.598 -7.765 -1.697 209 1HB PRO 27 2HB PRO 27 -16.197 -5.344 -3.194 210 2HB PRO 27 1HB PRO 27 -17.685 -5.922 -2.440 211 1HG PRO 27 2HG PRO 27 -16.018 -3.734 -1.608 212 2HG PRO 27 1HG PRO 27 -17.505 -4.311 -0.855 213 1HD PRO 27 2HD PRO 27 -14.802 -4.580 0.126 214 2HD PRO 27 1HD PRO 27 -16.302 -5.159 0.886 215 H ARG 28 HN ARG 28 -13.614 -5.863 -1.963 216 HA ARG 28 HA ARG 28 -12.573 -7.876 -3.912 217 1HB ARG 28 2HB ARG 28 -12.565 -4.851 -4.181 218 2HB ARG 28 1HB ARG 28 -11.706 -5.951 -5.259 219 1HG ARG 28 2HG ARG 28 -14.695 -6.043 -4.757 220 2HG ARG 28 1HG ARG 28 -13.945 -5.254 -6.145 221 1HD ARG 28 2HD ARG 28 -12.934 -7.413 -6.825 222 2HD ARG 28 1HD ARG 28 -13.704 -8.203 -5.437 223 HE ARG 28 HE ARG 28 -15.635 -8.265 -6.801 224 1HH1 ARG 28 1HH1 ARG 28 -15.974 -5.287 -6.248 225 2HH1 ARG 28 2HH1 ARG 28 -16.142 -4.666 -7.856 226 1HH2 ARG 28 1HH2 ARG 28 -14.907 -7.529 -9.375 227 2HH2 ARG 28 2HH2 ARG 28 -15.537 -5.935 -9.626 228 H VAL 29 HN VAL 29 -10.260 -8.072 -3.848 229 HA VAL 29 HA VAL 29 -8.938 -6.631 -1.569 230 HB VAL 29 HB VAL 29 -8.545 -9.476 -2.559 231 1HG1 VAL 29 3HG1 VAL 29 -6.622 -8.141 -1.402 232 2HG1 VAL 29 2HG1 VAL 29 -7.591 -8.335 0.060 233 3HG1 VAL 29 1HG1 VAL 29 -7.007 -9.756 -0.806 234 1HG2 VAL 29 2HG2 VAL 29 -10.754 -8.795 -1.351 235 2HG2 VAL 29 1HG2 VAL 29 -9.875 -10.205 -0.761 236 3HG2 VAL 29 3HG2 VAL 29 -9.739 -8.664 0.085 237 H GLY 30 HN GLY 30 -6.855 -5.845 -1.993 238 1HA GLY 30 1HA GLY 30 -5.932 -6.100 -4.821 239 2HA GLY 30 2HA GLY 30 -4.793 -6.320 -3.494 240 H LYS 31 HN LYS 31 -6.348 -4.161 -1.966 241 HA LYS 31 HA LYS 31 -5.509 -1.760 -3.537 242 1HB LYS 31 2HB LYS 31 -7.303 -2.196 -1.127 243 2HB LYS 31 1HB LYS 31 -6.950 -0.610 -1.813 244 1HG LYS 31 2HG LYS 31 -7.868 -1.366 -3.990 245 2HG LYS 31 1HG LYS 31 -8.257 -2.929 -3.270 246 1HD LYS 31 2HD LYS 31 -10.272 -1.630 -3.184 247 2HD LYS 31 1HD LYS 31 -9.627 -1.653 -1.543 248 1HE LYS 31 2HE LYS 31 -8.438 0.558 -2.934 249 2HE LYS 31 1HE LYS 31 -10.197 0.634 -3.151 250 1HZ LYS 31 2HZ LYS 31 -8.787 0.195 -0.565 251 2HZ LYS 31 1HZ LYS 31 -9.510 1.655 -1.048 252 3HZ LYS 31 3HZ LYS 31 -10.471 0.284 -0.775 253 H LEU 32 HN LEU 32 -4.172 -0.157 -2.484 254 HA LEU 32 HA LEU 32 -2.217 -1.279 -0.607 255 1HB LEU 32 2HB LEU 32 -1.713 0.231 -2.554 256 2HB LEU 32 1HB LEU 32 -2.553 1.531 -1.707 257 HG LEU 32 HG LEU 32 -0.967 1.142 0.238 258 1HD1 LEU 32 2HD1 LEU 32 -0.351 -1.188 -0.706 259 2HD1 LEU 32 1HD1 LEU 32 0.729 -0.313 -1.791 260 3HD1 LEU 32 3HD1 LEU 32 0.957 -0.206 -0.046 261 1HD2 LEU 32 3HD2 LEU 32 -0.732 2.783 -1.869 262 2HD2 LEU 32 2HD2 LEU 32 0.514 2.685 -0.624 263 3HD2 LEU 32 1HD2 LEU 32 0.710 1.805 -2.140 264 H ARG 33 HN ARG 33 -2.109 -0.834 1.590 265 HA ARG 33 HA ARG 33 -4.108 1.115 2.694 266 1HB ARG 33 2HB ARG 33 -3.253 -1.638 3.637 267 2HB ARG 33 1HB ARG 33 -4.236 -0.542 4.608 268 1HG ARG 33 2HG ARG 33 -5.914 -0.466 2.774 269 2HG ARG 33 1HG ARG 33 -4.944 -1.626 1.865 270 1HD ARG 33 2HD ARG 33 -5.174 -3.248 3.754 271 2HD ARG 33 1HD ARG 33 -6.236 -2.091 4.575 272 HE ARG 33 HE ARG 33 -7.918 -2.545 2.945 273 1HH1 ARG 33 1HH1 ARG 33 -5.455 -4.791 2.753 274 2HH1 ARG 33 2HH1 ARG 33 -5.788 -5.293 1.130 275 1HH2 ARG 33 1HH2 ARG 33 -8.104 -2.779 0.546 276 2HH2 ARG 33 2HH2 ARG 33 -7.288 -4.155 -0.119 277 H ASN 34 HN ASN 34 -3.320 2.475 4.318 278 HA ASN 34 HA ASN 34 -0.510 2.013 5.252 279 1HB ASN 34 2HB ASN 34 0.007 4.296 4.758 280 2HB ASN 34 1HB ASN 34 -0.855 3.696 3.341 281 1HD2 ASN 34 1HD2 ASN 34 -0.863 6.464 3.824 282 2HD2 ASN 34 2HD2 ASN 34 -2.409 6.951 4.325 283 H PHE 35 HN PHE 35 -0.083 3.652 7.164 284 HA PHE 35 HA PHE 35 -2.401 4.474 8.737 285 1HB PHE 35 2HB PHE 35 -2.406 1.993 8.953 286 2HB PHE 35 1HB PHE 35 -0.763 2.064 9.590 287 HD1 PHE 35 HD1 PHE 35 -4.302 2.900 10.247 288 HD2 PHE 35 HD2 PHE 35 -0.310 2.871 11.831 289 HE1 PHE 35 HE1 PHE 35 -5.200 3.333 12.519 290 HE2 PHE 35 HE2 PHE 35 -1.207 3.304 14.102 291 HZ PHE 35 HZ PHE 35 -3.653 3.535 14.446 292 H ALA 36 HN ALA 36 -1.585 5.138 11.029 293 HA ALA 36 HA ALA 36 0.599 6.949 10.799 294 1HB ALA 36 3HB ALA 36 -1.447 6.459 12.535 295 2HB ALA 36 1HB ALA 36 -0.099 7.535 12.901 296 3HB ALA 36 2HB ALA 36 -0.078 5.868 13.475 297 HA PRO 37 HA PRO 37 4.174 4.425 11.286 298 1HB PRO 37 2HB PRO 37 5.492 6.392 12.919 299 2HB PRO 37 1HB PRO 37 5.719 6.080 11.196 300 1HG PRO 37 2HG PRO 37 4.426 8.331 12.424 301 2HG PRO 37 1HG PRO 37 4.646 8.015 10.701 302 1HD PRO 37 2HD PRO 37 2.200 7.875 12.234 303 2HD PRO 37 1HD PRO 37 2.420 7.570 10.495 304 H ILE 38 HN ILE 38 2.612 5.903 14.067 305 HA ILE 38 HA ILE 38 3.605 3.639 15.767 306 HB ILE 38 HB ILE 38 2.965 6.426 16.746 307 1HG1 ILE 38 2HG1 ILE 38 4.659 6.752 15.053 308 2HG1 ILE 38 1HG1 ILE 38 5.457 6.819 16.623 309 1HG2 ILE 38 1HG2 ILE 38 3.155 4.589 18.399 310 2HG2 ILE 38 3HG2 ILE 38 4.770 4.223 17.791 311 3HG2 ILE 38 2HG2 ILE 38 4.456 5.765 18.586 312 1HD1 ILE 38 1HD1 ILE 38 5.407 4.088 15.826 313 2HD1 ILE 38 3HD1 ILE 38 5.964 5.024 14.439 314 3HD1 ILE 38 2HD1 ILE 38 6.813 5.141 15.980 315 HA PRO 39 HA PRO 39 -0.817 2.935 15.964 316 1HB PRO 39 2HB PRO 39 -0.315 1.057 18.086 317 2HB PRO 39 1HB PRO 39 -0.697 0.714 16.396 318 1HG PRO 39 2HG PRO 39 1.822 0.385 17.737 319 2HG PRO 39 1HG PRO 39 1.440 0.045 16.049 320 1HD PRO 39 2HD PRO 39 3.040 2.206 17.101 321 2HD PRO 39 1HD PRO 39 2.657 1.861 15.399 322 H GLY 40 HN GLY 40 -2.365 3.879 17.301 323 1HA GLY 40 1HA GLY 40 -1.951 5.812 19.152 324 2HA GLY 40 2HA GLY 40 -1.773 4.366 20.145 325 H GLU 41 HN GLU 41 -3.801 3.068 18.189 326 HA GLU 41 HA GLU 41 -6.242 4.265 19.462 327 1HB GLU 41 2HB GLU 41 -5.500 4.161 16.767 328 2HB GLU 41 1HB GLU 41 -6.663 2.846 16.946 329 1HG GLU 41 2HG GLU 41 -7.364 5.416 18.268 330 2HG GLU 41 1HG GLU 41 -7.411 5.405 16.505 331 HA PRO 42 HA PRO 42 -5.682 -0.219 20.666 332 1HB PRO 42 2HB PRO 42 -6.802 0.565 23.197 333 2HB PRO 42 1HB PRO 42 -5.154 0.035 22.855 334 1HG PRO 42 2HG PRO 42 -6.056 2.683 23.503 335 2HG PRO 42 1HG PRO 42 -4.409 2.155 23.154 336 1HD PRO 42 2HD PRO 42 -6.150 3.755 21.493 337 2HD PRO 42 1HD PRO 42 -4.485 3.232 21.146 338 H VAL 43 HN VAL 43 -7.418 -1.718 20.742 339 HA VAL 43 HA VAL 43 -10.173 -0.530 20.669 340 HB VAL 43 HB VAL 43 -10.672 -2.182 18.953 341 1HG1 VAL 43 1HG1 VAL 43 -8.616 -0.187 18.706 342 2HG1 VAL 43 3HG1 VAL 43 -8.229 -1.544 17.650 343 3HG1 VAL 43 2HG1 VAL 43 -9.780 -0.719 17.493 344 1HG2 VAL 43 2HG2 VAL 43 -8.507 -3.564 20.161 345 2HG2 VAL 43 1HG2 VAL 43 -9.540 -4.124 18.846 346 3HG2 VAL 43 3HG2 VAL 43 -8.046 -3.259 18.486 347 H VAL 44 HN VAL 44 -11.860 -2.311 21.138 348 HA VAL 44 HA VAL 44 -12.721 -3.994 22.556 349 HB VAL 44 HB VAL 44 -9.845 -4.805 22.996 350 1HG1 VAL 44 2HG1 VAL 44 -12.509 -6.232 22.849 351 2HG1 VAL 44 1HG1 VAL 44 -10.967 -7.086 22.828 352 3HG1 VAL 44 3HG1 VAL 44 -11.420 -6.120 24.232 353 1HG2 VAL 44 1HG2 VAL 44 -11.267 -4.553 20.475 354 2HG2 VAL 44 3HG2 VAL 44 -9.584 -4.996 20.763 355 3HG2 VAL 44 2HG2 VAL 44 -10.840 -6.234 20.796 356 HA PRO 45 HA PRO 45 -10.871 -1.268 26.046 357 1HB PRO 45 2HB PRO 45 -13.408 0.078 26.182 358 2HB PRO 45 1HB PRO 45 -11.839 0.764 25.757 359 1HG PRO 45 2HG PRO 45 -14.072 0.242 24.022 360 2HG PRO 45 1HG PRO 45 -12.507 0.942 23.598 361 1HD PRO 45 2HD PRO 45 -13.503 -1.684 22.941 362 2HD PRO 45 1HD PRO 45 -11.920 -0.982 22.533 363 H ILE 46 HN ILE 46 -14.299 -2.210 25.596 364 HA ILE 46 HA ILE 46 -14.189 -3.596 28.258 365 HB ILE 46 HB ILE 46 -16.486 -2.190 26.849 366 1HG1 ILE 46 2HG1 ILE 46 -14.943 -1.403 29.339 367 2HG1 ILE 46 1HG1 ILE 46 -14.706 -0.681 27.748 368 1HG2 ILE 46 2HG2 ILE 46 -16.341 -4.056 29.099 369 2HG2 ILE 46 1HG2 ILE 46 -17.114 -2.531 29.534 370 3HG2 ILE 46 3HG2 ILE 46 -17.749 -3.493 28.199 371 1HD1 ILE 46 1HD1 ILE 46 -17.274 -0.248 27.818 372 2HD1 ILE 46 3HD1 ILE 46 -17.111 -0.512 29.554 373 3HD1 ILE 46 2HD1 ILE 46 -16.222 0.796 28.774 374 H LEU 47 HN LEU 47 -15.361 -3.641 24.925 375 HA LEU 47 HA LEU 47 -15.278 -6.508 24.717 376 1HB LEU 47 2HB LEU 47 -17.206 -6.141 26.301 377 2HB LEU 47 1HB LEU 47 -18.031 -5.264 25.013 378 HG LEU 47 HG LEU 47 -17.755 -7.330 23.569 379 1HD1 LEU 47 2HD1 LEU 47 -16.862 -8.451 26.239 380 2HD1 LEU 47 1HD1 LEU 47 -17.387 -9.459 24.891 381 3HD1 LEU 47 3HD1 LEU 47 -15.955 -8.443 24.726 382 1HD2 LEU 47 2HD2 LEU 47 -19.499 -6.960 25.910 383 2HD2 LEU 47 1HD2 LEU 47 -19.921 -7.372 24.248 384 3HD2 LEU 47 3HD2 LEU 47 -19.393 -8.633 25.362 385 H CYS 48 HN CYS 48 -14.363 -6.080 22.659 386 HA CYS 48 HA CYS 48 -14.316 -5.444 20.380 387 1HB CYS 48 2HB CYS 48 -17.192 -6.216 20.935 388 2HB CYS 48 1HB CYS 48 -16.568 -5.950 19.306 389 H SER 49 HN SER 49 -13.846 -3.216 20.387 390 HA SER 49 HA SER 49 -15.718 -1.157 21.127 391 1HB SER 49 2HB SER 49 -13.210 -1.030 21.074 392 2HB SER 49 1HB SER 49 -13.293 -1.030 19.312 393 HG SER 49 HG SER 49 -13.615 1.021 19.463 394 H ASN 50 HN ASN 50 -14.392 -1.852 17.881 395 HA ASN 50 HA ASN 50 -16.589 -0.442 16.569 396 1HB ASN 50 2HB ASN 50 -14.036 -1.799 15.896 397 2HB ASN 50 1HB ASN 50 -15.241 -1.758 14.609 398 1HD2 ASN 50 1HD2 ASN 50 -16.462 0.744 15.100 399 2HD2 ASN 50 2HD2 ASN 50 -15.317 1.979 14.886 400 HA PRO 51 HA PRO 51 -19.120 -4.186 16.759 401 1HB PRO 51 2HB PRO 51 -21.133 -2.701 15.339 402 2HB PRO 51 1HB PRO 51 -21.110 -3.139 17.050 403 1HG PRO 51 2HG PRO 51 -20.752 -0.541 15.906 404 2HG PRO 51 1HG PRO 51 -20.667 -0.988 17.612 405 1HD PRO 51 2HD PRO 51 -18.489 -0.260 15.833 406 2HD PRO 51 1HD PRO 51 -18.420 -0.615 17.574 407 H ASN 52 HN ASN 52 -17.824 -2.430 14.144 408 HA ASN 52 HA ASN 52 -18.596 -4.608 12.241 409 1HB ASN 52 2HB ASN 52 -19.830 -2.429 11.978 410 2HB ASN 52 1HB ASN 52 -18.281 -1.651 11.665 411 1HD2 ASN 52 1HD2 ASN 52 -19.638 -1.258 9.537 412 2HD2 ASN 52 2HD2 ASN 52 -19.422 -2.407 8.305 413 H PHE 53 HN PHE 53 -16.148 -4.193 13.910 414 HA PHE 53 HA PHE 53 -14.023 -3.276 12.115 415 1HB PHE 53 2HB PHE 53 -12.667 -3.628 13.990 416 2HB PHE 53 1HB PHE 53 -14.239 -3.424 14.762 417 HD1 PHE 53 HD1 PHE 53 -15.660 -5.841 14.535 418 HD2 PHE 53 HD2 PHE 53 -11.415 -5.337 14.969 419 HE1 PHE 53 HE1 PHE 53 -15.488 -8.116 15.504 420 HE2 PHE 53 HE2 PHE 53 -11.244 -7.619 15.940 421 HZ PHE 53 HZ PHE 53 -13.282 -9.003 16.205 422 HA PRO 54 HA PRO 54 -12.841 -7.019 10.119 423 1HB PRO 54 2HB PRO 54 -10.493 -7.728 11.635 424 2HB PRO 54 1HB PRO 54 -10.571 -6.951 10.051 425 1HG PRO 54 2HG PRO 54 -9.833 -5.763 12.563 426 2HG PRO 54 1HG PRO 54 -9.913 -4.988 10.981 427 1HD PRO 54 2HD PRO 54 -11.685 -4.630 13.220 428 2HD PRO 54 1HD PRO 54 -11.786 -3.854 11.622 429 H GLU 55 HN GLU 55 -14.809 -7.799 11.404 430 HA GLU 55 HA GLU 55 -14.975 -9.140 13.775 431 1HB GLU 55 2HB GLU 55 -16.750 -8.866 12.062 432 2HB GLU 55 1HB GLU 55 -15.996 -10.139 11.099 433 1HG GLU 55 2HG GLU 55 -16.288 -11.712 13.012 434 2HG GLU 55 1HG GLU 55 -17.127 -10.438 13.898 435 H GLU 56 HN GLU 56 -13.269 -10.325 10.899 436 HA GLU 56 HA GLU 56 -12.859 -13.025 11.607 437 1HB GLU 56 2HB GLU 56 -12.152 -11.832 9.507 438 2HB GLU 56 1HB GLU 56 -10.856 -11.067 10.427 439 1HG GLU 56 2HG GLU 56 -9.903 -12.995 9.342 440 2HG GLU 56 1HG GLU 56 -10.065 -13.394 11.052 441 H LEU 57 HN LEU 57 -11.608 -10.092 12.985 442 HA LEU 57 HA LEU 57 -9.479 -11.394 14.547 443 1HB LEU 57 2HB LEU 57 -10.705 -8.618 14.492 444 2HB LEU 57 1HB LEU 57 -9.322 -9.055 15.493 445 HG LEU 57 HG LEU 57 -9.377 -9.433 12.487 446 1HD1 LEU 57 1HD1 LEU 57 -9.350 -6.994 13.841 447 2HD1 LEU 57 3HD1 LEU 57 -7.647 -7.322 13.521 448 3HD1 LEU 57 2HD1 LEU 57 -8.800 -7.268 12.188 449 1HD2 LEU 57 3HD2 LEU 57 -7.772 -10.781 13.913 450 2HD2 LEU 57 2HD2 LEU 57 -6.999 -9.734 12.722 451 3HD2 LEU 57 1HD2 LEU 57 -7.050 -9.253 14.417 452 H LYS 58 HN LYS 58 -12.659 -11.763 14.797 453 HA LYS 58 HA LYS 58 -13.732 -10.946 17.171 454 1HB LYS 58 2HB LYS 58 -13.804 -13.349 15.489 455 2HB LYS 58 1HB LYS 58 -14.260 -13.670 17.163 456 1HG LYS 58 2HG LYS 58 -15.472 -11.204 16.288 457 2HG LYS 58 1HG LYS 58 -15.857 -12.488 15.143 458 1HD LYS 58 2HD LYS 58 -16.101 -13.650 17.701 459 2HD LYS 58 1HD LYS 58 -16.880 -12.071 17.819 460 1HE LYS 58 2HE LYS 58 -18.487 -12.600 16.205 461 2HE LYS 58 1HE LYS 58 -17.454 -13.816 15.432 462 1HZ LYS 58 2HZ LYS 58 -17.573 -14.936 17.750 463 2HZ LYS 58 1HZ LYS 58 -18.975 -13.997 17.955 464 3HZ LYS 58 3HZ LYS 58 -18.883 -15.116 16.684 465 HA PRO 59 HA PRO 59 -11.278 -14.409 19.591 466 1HB PRO 59 2HB PRO 59 -8.811 -14.718 18.135 467 2HB PRO 59 1HB PRO 59 -10.029 -15.946 18.489 468 1HG PRO 59 2HG PRO 59 -9.474 -14.650 15.967 469 2HG PRO 59 1HG PRO 59 -10.627 -15.943 16.301 470 1HD PRO 59 2HD PRO 59 -11.222 -13.221 15.683 471 2HD PRO 59 1HD PRO 59 -12.376 -14.478 16.179 472 H LEU 60 HN LEU 60 -9.324 -12.082 17.662 473 HA LEU 60 HA LEU 60 -7.455 -11.328 19.620 474 1HB LEU 60 2HB LEU 60 -8.845 -9.969 17.319 475 2HB LEU 60 1HB LEU 60 -7.696 -9.067 18.306 476 HG LEU 60 HG LEU 60 -6.768 -10.257 16.216 477 1HD1 LEU 60 3HD1 LEU 60 -5.523 -9.428 18.342 478 2HD1 LEU 60 2HD1 LEU 60 -5.431 -11.137 18.766 479 3HD1 LEU 60 1HD1 LEU 60 -4.689 -10.558 17.275 480 1HD2 LEU 60 2HD2 LEU 60 -7.199 -12.622 18.065 481 2HD2 LEU 60 1HD2 LEU 60 -7.932 -12.384 16.479 482 3HD2 LEU 60 3HD2 LEU 60 -6.196 -12.656 16.616 483 H CYS 61 HN CYS 61 -10.753 -10.031 19.063 484 HA CYS 61 HA CYS 61 -10.637 -8.065 21.167 485 1HB CYS 61 2HB CYS 61 -12.231 -7.778 19.445 486 2HB CYS 61 1HB CYS 61 -12.774 -9.452 19.550 487 H LYS 62 HN LYS 62 -11.467 -11.494 21.080 488 HA LYS 62 HA LYS 62 -12.708 -11.508 23.727 489 1HB LYS 62 2HB LYS 62 -11.711 -13.640 21.816 490 2HB LYS 62 1HB LYS 62 -12.582 -13.997 23.307 491 1HG LYS 62 2HG LYS 62 -14.453 -12.534 22.488 492 2HG LYS 62 1HG LYS 62 -13.596 -12.374 20.954 493 1HD LYS 62 2HD LYS 62 -13.628 -14.868 20.734 494 2HD LYS 62 1HD LYS 62 -14.609 -14.948 22.198 495 1HE LYS 62 2HE LYS 62 -16.476 -13.997 21.154 496 2HE LYS 62 1HE LYS 62 -15.492 -13.182 19.922 497 1HZ LYS 62 1HZ LYS 62 -15.248 -16.077 20.051 498 2HZ LYS 62 3HZ LYS 62 -16.745 -15.503 19.498 499 3HZ LYS 62 2HZ LYS 62 -15.316 -15.055 18.695 500 H GLU 63 HN GLU 63 -9.556 -11.030 22.858 501 HA GLU 63 HA GLU 63 -8.562 -12.437 25.316 502 1HB GLU 63 2HB GLU 63 -6.399 -12.614 23.988 503 2HB GLU 63 1HB GLU 63 -7.736 -13.574 23.358 504 1HG GLU 63 2HG GLU 63 -8.258 -11.743 21.756 505 2HG GLU 63 1HG GLU 63 -6.864 -10.845 22.356 506 HA PRO 64 HA PRO 64 -7.386 -8.411 26.688 507 1HB PRO 64 2HB PRO 64 -5.145 -9.495 28.132 508 2HB PRO 64 1HB PRO 64 -6.718 -9.009 28.768 509 1HG PRO 64 2HG PRO 64 -5.692 -11.671 28.450 510 2HG PRO 64 1HG PRO 64 -7.268 -11.185 29.081 511 1HD PRO 64 2HD PRO 64 -6.682 -12.433 26.542 512 2HD PRO 64 1HD PRO 64 -8.270 -11.947 27.180 513 H ASN 65 HN ASN 65 -5.426 -10.490 24.795 514 HA ASN 65 HA ASN 65 -3.079 -8.749 24.630 515 1HB ASN 65 2HB ASN 65 -4.086 -11.101 22.994 516 2HB ASN 65 1HB ASN 65 -2.480 -10.388 22.833 517 1HD2 ASN 65 1HD2 ASN 65 -2.819 -13.121 23.647 518 2HD2 ASN 65 2HD2 ASN 65 -2.313 -13.263 25.260 519 H ALA 66 HN ALA 66 -6.197 -8.833 23.166 520 HA ALA 66 HA ALA 66 -5.842 -7.899 20.562 521 1HB ALA 66 2HB ALA 66 -7.869 -8.049 22.531 522 2HB ALA 66 3HB ALA 66 -8.082 -7.730 20.809 523 3HB ALA 66 1HB ALA 66 -7.889 -6.389 21.937 524 H GLN 67 HN GLN 67 -5.541 -6.076 23.599 525 HA GLN 67 HA GLN 67 -5.328 -3.456 22.479 526 1HB GLN 67 2HB GLN 67 -5.672 -4.084 24.877 527 2HB GLN 67 1HB GLN 67 -3.997 -4.637 24.940 528 1HG GLN 67 2HG GLN 67 -3.235 -2.365 24.316 529 2HG GLN 67 1HG GLN 67 -4.912 -1.817 24.290 530 1HE2 GLN 67 1HE2 GLN 67 -3.214 -0.531 26.079 531 2HE2 GLN 67 2HE2 GLN 67 -3.557 -1.016 27.668 532 H GLU 68 HN GLU 68 -2.855 -5.945 23.152 533 HA GLU 68 HA GLU 68 -0.660 -4.257 22.192 534 1HB GLU 68 2HB GLU 68 -0.460 -5.981 23.977 535 2HB GLU 68 1HB GLU 68 -0.851 -7.228 22.793 536 1HG GLU 68 2HG GLU 68 1.551 -7.160 22.993 537 2HG GLU 68 1HG GLU 68 1.136 -6.434 21.441 538 H ILE 69 HN ILE 69 -2.543 -7.023 20.966 539 HA ILE 69 HA ILE 69 -1.084 -7.400 18.526 540 HB ILE 69 HB ILE 69 -3.999 -7.892 19.221 541 1HG1 ILE 69 2HG1 ILE 69 -1.632 -9.777 19.389 542 2HG1 ILE 69 1HG1 ILE 69 -2.289 -8.906 20.774 543 1HG2 ILE 69 1HG2 ILE 69 -2.494 -8.269 16.801 544 2HG2 ILE 69 3HG2 ILE 69 -2.927 -9.845 17.461 545 3HG2 ILE 69 2HG2 ILE 69 -4.185 -8.659 17.115 546 1HD1 ILE 69 2HD1 ILE 69 -4.571 -9.937 20.034 547 2HD1 ILE 69 1HD1 ILE 69 -3.576 -11.075 19.126 548 3HD1 ILE 69 3HD1 ILE 69 -3.416 -10.967 20.879 549 H LEU 70 HN LEU 70 -3.930 -5.408 19.327 550 HA LEU 70 HA LEU 70 -4.649 -4.497 16.770 551 1HB LEU 70 2HB LEU 70 -5.955 -4.013 18.734 552 2HB LEU 70 1HB LEU 70 -4.606 -3.169 19.493 553 HG LEU 70 HG LEU 70 -6.503 -1.775 18.332 554 1HD1 LEU 70 1HD1 LEU 70 -3.794 -1.341 18.897 555 2HD1 LEU 70 3HD1 LEU 70 -4.010 -0.733 17.256 556 3HD1 LEU 70 2HD1 LEU 70 -5.007 -0.104 18.567 557 1HD2 LEU 70 3HD2 LEU 70 -6.101 -3.255 16.203 558 2HD2 LEU 70 2HD2 LEU 70 -6.389 -1.526 16.006 559 3HD2 LEU 70 1HD2 LEU 70 -4.747 -2.164 15.924 560 H GLN 71 HN GLN 71 -2.378 -2.859 19.034 561 HA GLN 71 HA GLN 71 -1.530 -0.764 17.380 562 1HB GLN 71 2HB GLN 71 0.027 -2.498 19.322 563 2HB GLN 71 1HB GLN 71 0.567 -0.923 18.741 564 1HG GLN 71 2HG GLN 71 -1.437 0.132 19.698 565 2HG GLN 71 1HG GLN 71 -2.019 -1.442 20.244 566 1HE2 GLN 71 1HE2 GLN 71 -1.491 0.678 22.107 567 2HE2 GLN 71 2HE2 GLN 71 -0.160 0.231 23.060 568 H ARG 72 HN ARG 72 0.069 -3.963 17.675 569 HA ARG 72 HA ARG 72 2.009 -3.663 15.667 570 1HB ARG 72 2HB ARG 72 0.363 -6.049 16.561 571 2HB ARG 72 1HB ARG 72 1.802 -6.182 15.549 572 1HG ARG 72 2HG ARG 72 3.028 -4.867 17.371 573 2HG ARG 72 1HG ARG 72 1.615 -5.152 18.388 574 1HD ARG 72 2HD ARG 72 3.287 -7.322 17.063 575 2HD ARG 72 1HD ARG 72 3.315 -6.900 18.786 576 HE ARG 72 HE ARG 72 0.612 -7.393 17.858 577 1HH1 ARG 72 1HH1 ARG 72 2.598 -9.709 17.091 578 2HH1 ARG 72 2HH1 ARG 72 2.274 -10.802 18.395 579 1HH2 ARG 72 1HH2 ARG 72 0.599 -8.445 20.308 580 2HH2 ARG 72 2HH2 ARG 72 1.143 -10.087 20.216 581 H LEU 73 HN LEU 73 -1.213 -5.195 15.255 582 HA LEU 73 HA LEU 73 -1.213 -5.621 12.507 583 1HB LEU 73 2HB LEU 73 -3.398 -4.599 14.350 584 2HB LEU 73 1HB LEU 73 -3.698 -5.240 12.734 585 HG LEU 73 HG LEU 73 -2.475 -6.712 15.084 586 1HD1 LEU 73 2HD1 LEU 73 -5.021 -7.060 13.476 587 2HD1 LEU 73 1HD1 LEU 73 -4.435 -8.228 14.660 588 3HD1 LEU 73 3HD1 LEU 73 -4.898 -6.606 15.175 589 1HD2 LEU 73 1HD2 LEU 73 -2.716 -7.454 12.161 590 2HD2 LEU 73 3HD2 LEU 73 -1.259 -7.432 13.155 591 3HD2 LEU 73 2HD2 LEU 73 -2.496 -8.657 13.432 592 H GLU 74 HN GLU 74 -2.197 -2.589 14.159 593 HA GLU 74 HA GLU 74 -2.817 -1.043 11.888 594 1HB GLU 74 2HB GLU 74 -1.462 -0.260 14.490 595 2HB GLU 74 1HB GLU 74 -2.273 0.861 13.396 596 1HG GLU 74 2HG GLU 74 -3.604 -1.518 14.720 597 2HG GLU 74 1HG GLU 74 -3.735 0.144 15.289 598 H GLU 75 HN GLU 75 0.368 -1.346 13.538 599 HA GLU 75 HA GLU 75 1.869 0.353 11.863 600 1HB GLU 75 2HB GLU 75 2.529 -0.721 14.029 601 2HB GLU 75 1HB GLU 75 2.712 -2.251 13.172 602 1HG GLU 75 2HG GLU 75 4.395 -1.185 11.683 603 2HG GLU 75 1HG GLU 75 4.245 0.306 12.611 604 H ILE 76 HN ILE 76 1.597 -3.226 11.586 605 HA ILE 76 HA ILE 76 3.012 -3.487 9.141 606 HB ILE 76 HB ILE 76 0.655 -5.056 10.243 607 1HG1 ILE 76 2HG1 ILE 76 2.418 -4.950 11.885 608 2HG1 ILE 76 1HG1 ILE 76 2.522 -6.532 11.113 609 1HG2 ILE 76 3HG2 ILE 76 2.574 -5.496 7.991 610 2HG2 ILE 76 2HG2 ILE 76 2.094 -6.894 8.954 611 3HG2 ILE 76 1HG2 ILE 76 0.871 -5.940 8.115 612 1HD1 ILE 76 2HD1 ILE 76 4.130 -5.150 9.455 613 2HD1 ILE 76 1HD1 ILE 76 4.369 -4.202 10.923 614 3HD1 ILE 76 3HD1 ILE 76 4.732 -5.928 10.919 615 H ALA 77 HN ALA 77 -0.373 -2.711 9.794 616 HA ALA 77 HA ALA 77 -1.411 -2.888 7.141 617 1HB ALA 77 3HB ALA 77 -2.692 -2.611 9.274 618 2HB ALA 77 2HB ALA 77 -2.108 -0.950 9.374 619 3HB ALA 77 1HB ALA 77 -3.167 -1.433 8.049 620 H GLU 78 HN GLU 78 0.512 -0.437 8.770 621 HA GLU 78 HA GLU 78 0.127 1.745 6.969 622 1HB GLU 78 2HB GLU 78 1.168 1.884 9.197 623 2HB GLU 78 1HB GLU 78 2.517 0.894 8.638 624 1HG GLU 78 2HG GLU 78 3.048 2.629 6.934 625 2HG GLU 78 1HG GLU 78 1.742 3.627 7.572 626 H ASP 79 HN ASP 79 2.489 -0.946 6.933 627 HA ASP 79 HA ASP 79 2.903 -0.442 4.026 628 1HB ASP 79 2HB ASP 79 5.417 -0.651 4.542 629 2HB ASP 79 1HB ASP 79 4.641 0.861 5.009 630 HA PRO 80 HA PRO 80 2.978 -4.813 3.704 631 1HB PRO 80 2HB PRO 80 5.200 -4.851 1.880 632 2HB PRO 80 1HB PRO 80 3.480 -4.967 1.501 633 1HG PRO 80 2HG PRO 80 5.242 -2.759 1.004 634 2HG PRO 80 1HG PRO 80 3.518 -2.869 0.647 635 1HD PRO 80 2HD PRO 80 4.815 -1.304 2.707 636 2HD PRO 80 1HD PRO 80 3.081 -1.384 2.319 637 H GLY 81 HN GLY 81 6.375 -3.616 3.545 638 1HA GLY 81 1HA GLY 81 7.057 -4.999 6.021 639 2HA GLY 81 2HA GLY 81 8.183 -4.132 4.974 640 H THR 82 HN THR 82 8.153 -6.959 6.202 641 HA THR 82 HA THR 82 9.333 -8.301 3.888 642 HB THR 82 HB THR 82 9.774 -10.050 5.573 643 HG1 THR 82 1HG THR 82 7.737 -8.670 6.852 644 1HG2 THR 82 1HG2 THR 82 10.123 -7.235 6.642 645 2HG2 THR 82 3HG2 THR 82 11.000 -8.655 7.214 646 3HG2 THR 82 2HG2 THR 82 11.233 -8.081 5.563 647 H CYS 83 HN CYS 83 6.236 -8.222 5.461 648 HA CYS 83 HA CYS 83 5.113 -10.723 4.848 649 1HB CYS 83 2HB CYS 83 4.057 -8.895 6.146 650 2HB CYS 83 1HB CYS 83 3.875 -7.955 4.665 651 H GLU 84 HN GLU 84 5.056 -7.792 2.788 652 HA GLU 84 HA GLU 84 3.814 -8.923 0.517 653 1HB GLU 84 2HB GLU 84 4.253 -6.520 0.995 654 2HB GLU 84 1HB GLU 84 5.965 -6.791 0.677 655 1HG GLU 84 2HG GLU 84 5.368 -7.580 -1.619 656 2HG GLU 84 1HG GLU 84 3.685 -7.169 -1.289 657 H ILE 85 HN ILE 85 7.246 -8.994 1.484 658 HA ILE 85 HA ILE 85 7.951 -10.351 -1.062 659 HB ILE 85 HB ILE 85 10.226 -9.942 -0.329 660 1HG1 ILE 85 2HG1 ILE 85 8.916 -9.342 2.329 661 2HG1 ILE 85 1HG1 ILE 85 10.122 -10.579 1.982 662 1HG2 ILE 85 1HG2 ILE 85 8.429 -7.618 0.432 663 2HG2 ILE 85 3HG2 ILE 85 10.144 -7.498 0.035 664 3HG2 ILE 85 2HG2 ILE 85 8.986 -7.993 -1.199 665 1HD1 ILE 85 3HD1 ILE 85 11.433 -8.344 1.135 666 2HD1 ILE 85 2HD1 ILE 85 10.466 -7.675 2.450 667 3HD1 ILE 85 1HD1 ILE 85 11.581 -9.004 2.764 668 H CYS 86 HN CYS 86 6.463 -11.447 1.542 669 HA CYS 86 HA CYS 86 6.335 -13.549 2.611 670 1HB CYS 86 2HB CYS 86 8.134 -14.382 0.318 671 2HB CYS 86 1HB CYS 86 6.971 -15.386 1.184 672 H ALA 87 HN ALA 87 8.892 -11.680 2.842 673 HA ALA 87 HA ALA 87 11.107 -13.404 3.470 674 1HB ALA 87 2HB ALA 87 11.511 -11.160 4.949 675 2HB ALA 87 3HB ALA 87 10.268 -10.579 3.839 676 3HB ALA 87 1HB ALA 87 11.783 -11.226 3.208 677 H TYR 88 HN TYR 88 8.140 -12.897 5.058 678 HA TYR 88 HA TYR 88 9.164 -14.299 7.479 679 1HB TYR 88 2HB TYR 88 9.222 -11.778 7.743 680 2HB TYR 88 1HB TYR 88 7.468 -11.787 7.561 681 HD1 TYR 88 HD1 TYR 88 9.762 -14.164 9.330 682 HD2 TYR 88 HD2 TYR 88 6.558 -11.325 9.673 683 HE1 TYR 88 HE1 TYR 88 9.517 -14.732 11.731 684 HE2 TYR 88 HE2 TYR 88 6.312 -11.891 12.074 685 HH TYR 88 HH TYR 88 7.055 -14.307 13.476 686 H ALA 89 HN ALA 89 7.267 -15.032 8.856 687 HA ALA 89 HA ALA 89 5.247 -16.297 7.185 688 1HB ALA 89 2HB ALA 89 5.786 -17.623 8.982 689 2HB ALA 89 3HB ALA 89 4.462 -16.738 9.741 690 3HB ALA 89 1HB ALA 89 6.130 -16.242 10.023 691 H ALA 90 HN ALA 90 5.446 -13.160 8.134 692 HA ALA 90 HA ALA 90 2.891 -12.589 9.303 693 1HB ALA 90 3HB ALA 90 5.223 -11.245 8.314 694 2HB ALA 90 1HB ALA 90 3.980 -10.615 9.395 695 3HB ALA 90 2HB ALA 90 3.798 -10.446 7.649 696 H CYS 91 HN CYS 91 3.972 -12.821 5.916 697 HA CYS 91 HA CYS 91 1.214 -12.194 4.981 698 1HB CYS 91 2HB CYS 91 3.874 -11.726 4.089 699 2HB CYS 91 1HB CYS 91 3.107 -12.771 2.896 700 H THR 92 HN THR 92 -0.139 -13.892 4.593 701 HA THR 92 HA THR 92 1.069 -16.573 4.013 702 HB THR 92 HB THR 92 -0.929 -17.463 5.026 703 HG1 THR 92 1HG THR 92 -1.841 -14.846 4.598 704 1HG2 THR 92 3HG2 THR 92 0.880 -16.086 6.426 705 2HG2 THR 92 2HG2 THR 92 -0.526 -15.081 6.778 706 3HG2 THR 92 1HG2 THR 92 -0.539 -16.795 7.195 707 H GLY 93 HN GLY 93 0.113 -17.824 2.292 708 1HA GLY 93 1HA GLY 93 -1.789 -16.387 0.512 709 2HA GLY 93 2HA GLY 93 -1.455 -18.118 0.460 710 H CYS 94 HN CYS 94 1.262 -16.016 0.803 711 HA CYS 94 HA CYS 94 1.842 -15.401 -1.920 712 1HB CYS 94 2HB CYS 94 2.889 -14.497 0.199 713 2HB CYS 94 1HB CYS 94 3.779 -16.013 0.332 No H/Q in entry = 713 Start of MODEL 8 1 H1 VAL 1 3H VAL 1 -2.460 -12.349 -0.218 2 H2 VAL 1 2H VAL 1 -1.080 -12.727 -1.136 3 H3 VAL 1 1H VAL 1 -1.512 -13.696 0.191 4 HA VAL 1 HA VAL 1 0.108 -12.454 1.195 5 HB VAL 1 HB VAL 1 0.529 -11.330 -0.987 6 1HG1 VAL 1 3HG1 VAL 1 -2.087 -10.421 -0.653 7 2HG1 VAL 1 2HG1 VAL 1 -1.103 -8.980 -0.401 8 3HG1 VAL 1 1HG1 VAL 1 -0.959 -9.896 -1.903 9 1HG2 VAL 1 1HG2 VAL 1 1.621 -10.555 1.143 10 2HG2 VAL 1 3HG2 VAL 1 1.460 -9.285 -0.070 11 3HG2 VAL 1 2HG2 VAL 1 0.348 -9.344 1.297 12 H THR 2 HN THR 2 -1.510 -12.778 2.947 13 HA THR 2 HA THR 2 -2.984 -10.248 3.613 14 HB THR 2 HB THR 2 -3.680 -13.131 4.265 15 HG1 THR 2 1HG THR 2 -4.847 -11.332 2.410 16 1HG2 THR 2 3HG2 THR 2 -4.474 -11.349 5.866 17 2HG2 THR 2 2HG2 THR 2 -5.362 -10.627 4.523 18 3HG2 THR 2 1HG2 THR 2 -5.771 -12.249 5.079 19 H VAL 3 HN VAL 3 -3.000 -9.675 5.870 20 HA VAL 3 HA VAL 3 -0.608 -10.524 7.351 21 HB VAL 3 HB VAL 3 -2.885 -8.577 7.812 22 1HG1 VAL 3 3HG1 VAL 3 -1.057 -9.718 9.732 23 2HG1 VAL 3 2HG1 VAL 3 -0.716 -7.999 9.534 24 3HG1 VAL 3 1HG1 VAL 3 -2.333 -8.531 9.995 25 1HG2 VAL 3 3HG2 VAL 3 0.062 -8.247 7.172 26 2HG2 VAL 3 2HG2 VAL 3 -1.284 -7.939 6.077 27 3HG2 VAL 3 1HG2 VAL 3 -1.051 -6.918 7.496 28 H GLN 4 HN GLN 4 -0.749 -12.466 8.448 29 HA GLN 4 HA GLN 4 -3.357 -13.148 9.753 30 1HB GLN 4 2HB GLN 4 -2.476 -14.669 7.997 31 2HB GLN 4 1HB GLN 4 -0.998 -14.876 8.937 32 1HG GLN 4 2HG GLN 4 -2.468 -15.681 10.851 33 2HG GLN 4 1HG GLN 4 -3.804 -15.714 9.701 34 1HE2 GLN 4 1HE2 GLN 4 -3.994 -17.577 8.422 35 2HE2 GLN 4 2HE2 GLN 4 -2.798 -18.776 8.287 36 H ASP 5 HN ASP 5 -3.375 -12.960 11.941 37 HA ASP 5 HA ASP 5 -0.903 -12.531 13.457 38 1HB ASP 5 2HB ASP 5 -3.536 -11.778 13.673 39 2HB ASP 5 1HB ASP 5 -3.439 -13.060 14.879 40 H GLY 6 HN GLY 6 -3.563 -14.717 14.332 41 1HA GLY 6 1HA GLY 6 -3.184 -16.703 15.688 42 2HA GLY 6 2HA GLY 6 -1.528 -16.757 15.080 43 H ASN 7 HN ASN 7 -4.335 -18.387 14.878 44 HA ASN 7 HA ASN 7 -3.577 -19.696 12.364 45 1HB ASN 7 2HB ASN 7 -5.876 -20.069 14.312 46 2HB ASN 7 1HB ASN 7 -5.463 -21.188 13.013 47 1HD2 ASN 7 1HD2 ASN 7 -5.388 -21.828 15.887 48 2HD2 ASN 7 2HD2 ASN 7 -3.777 -22.207 16.262 49 H PHE 8 HN PHE 8 -5.211 -16.890 12.928 50 HA PHE 8 HA PHE 8 -7.173 -17.353 10.707 51 1HB PHE 8 2HB PHE 8 -7.102 -15.403 13.028 52 2HB PHE 8 1HB PHE 8 -8.347 -15.405 11.778 53 HD1 PHE 8 HD1 PHE 8 -9.966 -17.238 11.611 54 HD2 PHE 8 HD2 PHE 8 -6.961 -17.194 14.680 55 HE1 PHE 8 HE1 PHE 8 -11.183 -19.023 12.828 56 HE2 PHE 8 HE2 PHE 8 -8.178 -18.980 15.897 57 HZ PHE 8 HZ PHE 8 -10.289 -19.894 14.971 58 H SER 9 HN SER 9 -6.876 -16.163 8.847 59 HA SER 9 HA SER 9 -4.558 -14.353 8.665 60 1HB SER 9 2HB SER 9 -4.945 -14.561 6.312 61 2HB SER 9 1HB SER 9 -5.334 -16.142 6.992 62 HG SER 9 HG SER 9 -6.881 -14.739 5.515 63 H PHE 10 HN PHE 10 -4.715 -12.140 8.781 64 HA PHE 10 HA PHE 10 -7.455 -10.923 8.623 65 1HB PHE 10 2HB PHE 10 -4.992 -10.057 10.171 66 2HB PHE 10 1HB PHE 10 -6.586 -9.307 10.260 67 HD1 PHE 10 HD1 PHE 10 -8.235 -11.868 10.109 68 HD2 PHE 10 HD2 PHE 10 -4.781 -10.813 12.435 69 HE1 PHE 10 HE1 PHE 10 -8.902 -13.508 11.846 70 HE2 PHE 10 HE2 PHE 10 -5.449 -12.453 14.171 71 HZ PHE 10 HZ PHE 10 -7.509 -13.800 13.877 72 H SER 11 HN SER 11 -7.717 -9.401 7.021 73 HA SER 11 HA SER 11 -5.525 -8.736 5.224 74 1HB SER 11 2HB SER 11 -7.273 -7.595 4.014 75 2HB SER 11 1HB SER 11 -7.992 -9.056 4.692 76 HG SER 11 HG SER 11 -8.386 -6.390 5.358 77 H LEU 12 HN LEU 12 -5.129 -6.332 4.682 78 HA LEU 12 HA LEU 12 -4.608 -4.874 7.218 79 1HB LEU 12 2HB LEU 12 -3.727 -4.422 4.348 80 2HB LEU 12 1HB LEU 12 -3.102 -3.563 5.756 81 HG LEU 12 HG LEU 12 -2.538 -5.919 6.684 82 1HD1 LEU 12 3HD1 LEU 12 -3.427 -6.489 3.909 83 2HD1 LEU 12 2HD1 LEU 12 -1.950 -7.301 4.429 84 3HD1 LEU 12 1HD1 LEU 12 -3.447 -7.529 5.333 85 1HD2 LEU 12 1HD2 LEU 12 -1.060 -4.059 5.391 86 2HD2 LEU 12 3HD2 LEU 12 -0.386 -5.583 5.969 87 3HD2 LEU 12 2HD2 LEU 12 -0.864 -5.414 4.280 88 H GLU 13 HN GLU 13 -6.968 -4.928 4.803 89 HA GLU 13 HA GLU 13 -7.485 -2.101 4.475 90 1HB GLU 13 2HB GLU 13 -9.234 -4.564 4.177 91 2HB GLU 13 1HB GLU 13 -9.634 -2.964 3.553 92 1HG GLU 13 2HG GLU 13 -7.567 -2.999 2.182 93 2HG GLU 13 1HG GLU 13 -7.216 -4.622 2.775 94 H SER 14 HN SER 14 -9.663 -4.450 6.062 95 HA SER 14 HA SER 14 -11.275 -2.736 7.505 96 1HB SER 14 2HB SER 14 -10.083 -5.251 8.687 97 2HB SER 14 1HB SER 14 -11.718 -4.625 8.892 98 HG SER 14 HG SER 14 -11.475 -6.384 7.350 99 H VAL 15 HN VAL 15 -8.179 -4.084 8.743 100 HA VAL 15 HA VAL 15 -8.146 -2.692 11.206 101 HB VAL 15 HB VAL 15 -5.643 -3.056 10.959 102 1HG1 VAL 15 2HG1 VAL 15 -7.703 -4.806 11.427 103 2HG1 VAL 15 1HG1 VAL 15 -6.849 -5.611 10.108 104 3HG1 VAL 15 3HG1 VAL 15 -5.993 -5.211 11.597 105 1HG2 VAL 15 2HG2 VAL 15 -6.572 -3.558 8.183 106 2HG2 VAL 15 1HG2 VAL 15 -5.006 -2.993 8.762 107 3HG2 VAL 15 3HG2 VAL 15 -5.401 -4.710 8.822 108 H LYS 16 HN LYS 16 -6.701 -1.708 8.060 109 HA LYS 16 HA LYS 16 -5.676 0.805 8.884 110 1HB LYS 16 2HB LYS 16 -5.200 -0.141 6.704 111 2HB LYS 16 1HB LYS 16 -6.914 -0.167 6.288 112 1HG LYS 16 2HG LYS 16 -6.937 2.338 6.508 113 2HG LYS 16 1HG LYS 16 -5.189 2.288 6.732 114 1HD LYS 16 2HD LYS 16 -4.836 1.418 4.537 115 2HD LYS 16 1HD LYS 16 -6.549 1.050 4.332 116 1HE LYS 16 2HE LYS 16 -6.774 3.090 3.356 117 2HE LYS 16 1HE LYS 16 -6.426 3.813 4.939 118 1HZ LYS 16 1HZ LYS 16 -4.289 2.792 3.152 119 2HZ LYS 16 3HZ LYS 16 -4.840 4.393 3.059 120 3HZ LYS 16 2HZ LYS 16 -4.130 3.822 4.493 121 H LYS 17 HN LYS 17 -8.874 0.028 7.468 122 HA LYS 17 HA LYS 17 -9.946 2.690 8.055 123 1HB LYS 17 2HB LYS 17 -11.173 0.071 7.126 124 2HB LYS 17 1HB LYS 17 -12.012 1.623 7.137 125 1HG LYS 17 2HG LYS 17 -10.244 2.542 5.630 126 2HG LYS 17 1HG LYS 17 -9.513 0.938 5.558 127 1HD LYS 17 2HD LYS 17 -11.731 0.061 4.725 128 2HD LYS 17 1HD LYS 17 -12.280 1.732 4.611 129 1HE LYS 17 2HE LYS 17 -11.244 1.946 2.607 130 2HE LYS 17 1HE LYS 17 -9.695 1.491 3.343 131 1HZ LYS 17 3HZ LYS 17 -11.776 -0.539 2.812 132 2HZ LYS 17 2HZ LYS 17 -10.713 -0.065 1.574 133 3HZ LYS 17 1HZ LYS 17 -10.105 -0.758 3.001 134 H LEU 18 HN LEU 18 -9.083 0.386 10.143 135 HA LEU 18 HA LEU 18 -11.424 -0.255 11.653 136 1HB LEU 18 2HB LEU 18 -9.189 -1.356 11.730 137 2HB LEU 18 1HB LEU 18 -8.518 0.095 12.472 138 HG LEU 18 HG LEU 18 -9.928 -0.177 14.423 139 1HD1 LEU 18 1HD1 LEU 18 -11.296 -2.142 12.640 140 2HD1 LEU 18 3HD1 LEU 18 -11.256 -2.502 14.365 141 3HD1 LEU 18 2HD1 LEU 18 -11.990 -1.003 13.794 142 1HD2 LEU 18 1HD2 LEU 18 -7.810 -1.631 14.073 143 2HD2 LEU 18 3HD2 LEU 18 -8.931 -2.119 15.344 144 3HD2 LEU 18 2HD2 LEU 18 -8.935 -2.961 13.794 145 H LYS 19 HN LYS 19 -9.223 2.526 11.667 146 HA LYS 19 HA LYS 19 -10.075 3.734 14.116 147 1HB LYS 19 2HB LYS 19 -8.064 4.315 12.747 148 2HB LYS 19 1HB LYS 19 -9.129 5.006 11.523 149 1HG LYS 19 2HG LYS 19 -10.028 6.573 13.253 150 2HG LYS 19 1HG LYS 19 -8.852 5.930 14.400 151 1HD LYS 19 2HD LYS 19 -7.040 6.560 12.742 152 2HD LYS 19 1HD LYS 19 -8.281 7.407 11.817 153 1HE LYS 19 2HE LYS 19 -8.387 9.132 13.321 154 2HE LYS 19 1HE LYS 19 -8.218 8.048 14.716 155 1HZ LYS 19 3HZ LYS 19 -5.961 8.324 12.857 156 2HZ LYS 19 2HZ LYS 19 -6.240 9.583 13.965 157 3HZ LYS 19 1HZ LYS 19 -5.947 8.004 14.523 158 H ASP 20 HN ASP 20 -11.267 4.058 10.771 159 HA ASP 20 HA ASP 20 -13.578 5.666 11.778 160 1HB ASP 20 2HB ASP 20 -12.380 5.181 9.031 161 2HB ASP 20 1HB ASP 20 -13.818 6.161 9.316 162 H LEU 21 HN LEU 21 -15.497 4.575 12.002 163 HA LEU 21 HA LEU 21 -15.755 1.861 10.839 164 1HB LEU 21 2HB LEU 21 -16.249 2.589 13.259 165 2HB LEU 21 1HB LEU 21 -17.699 3.353 12.608 166 HG LEU 21 HG LEU 21 -18.281 1.117 11.563 167 1HD1 LEU 21 1HD1 LEU 21 -15.685 0.501 12.762 168 2HD1 LEU 21 3HD1 LEU 21 -16.939 -0.638 13.253 169 3HD1 LEU 21 2HD1 LEU 21 -16.593 -0.390 11.541 170 1HD2 LEU 21 1HD2 LEU 21 -18.034 1.350 14.574 171 2HD2 LEU 21 3HD2 LEU 21 -19.414 1.821 13.582 172 3HD2 LEU 21 2HD2 LEU 21 -18.998 0.116 13.762 173 H GLN 22 HN GLN 22 -16.988 1.475 9.043 174 HA GLN 22 HA GLN 22 -19.023 3.526 8.243 175 1HB GLN 22 2HB GLN 22 -16.961 2.095 6.532 176 2HB GLN 22 1HB GLN 22 -18.224 3.154 5.903 177 1HG GLN 22 2HG GLN 22 -17.315 4.989 7.361 178 2HG GLN 22 1HG GLN 22 -15.979 3.922 7.790 179 1HE2 GLN 22 1HE2 GLN 22 -16.641 3.033 4.686 180 2HE2 GLN 22 2HE2 GLN 22 -15.618 4.096 3.848 181 H GLU 23 HN GLU 23 -20.532 2.513 6.507 182 HA GLU 23 HA GLU 23 -22.010 0.378 7.437 183 1HB GLU 23 2HB GLU 23 -21.395 1.522 4.741 184 2HB GLU 23 1HB GLU 23 -22.332 0.029 4.805 185 1HG GLU 23 2HG GLU 23 -24.091 1.476 5.030 186 2HG GLU 23 1HG GLU 23 -23.603 1.464 6.725 187 HA PRO 24 HA PRO 24 -19.687 -3.334 7.098 188 1HB PRO 24 2HB PRO 24 -21.864 -4.829 5.959 189 2HB PRO 24 1HB PRO 24 -21.330 -4.797 7.641 190 1HG PRO 24 2HG PRO 24 -23.714 -3.650 6.532 191 2HG PRO 24 1HG PRO 24 -23.168 -3.597 8.209 192 1HD PRO 24 2HD PRO 24 -23.214 -1.438 6.283 193 2HD PRO 24 1HD PRO 24 -22.698 -1.378 7.984 194 H GLN 25 HN GLN 25 -18.883 -1.838 5.036 195 HA GLN 25 HA GLN 25 -19.256 -3.540 2.591 196 1HB GLN 25 2HB GLN 25 -18.760 -0.562 2.917 197 2HB GLN 25 1HB GLN 25 -18.831 -1.396 1.365 198 1HG GLN 25 2HG GLN 25 -21.137 -2.113 1.847 199 2HG GLN 25 1HG GLN 25 -21.069 -1.305 3.412 200 1HE2 GLN 25 1HE2 GLN 25 -23.038 -0.491 1.576 201 2HE2 GLN 25 2HE2 GLN 25 -22.654 1.051 0.976 202 H GLU 26 HN GLU 26 -17.368 -4.357 1.710 203 HA GLU 26 HA GLU 26 -14.770 -3.189 2.636 204 1HB GLU 26 2HB GLU 26 -15.917 -5.922 2.903 205 2HB GLU 26 1HB GLU 26 -14.205 -5.829 2.490 206 1HG GLU 26 2HG GLU 26 -15.558 -4.506 4.862 207 2HG GLU 26 1HG GLU 26 -14.452 -5.878 4.922 208 HA PRO 27 HA PRO 27 -15.159 -3.819 -2.023 209 1HB PRO 27 2HB PRO 27 -14.055 -1.174 -2.267 210 2HB PRO 27 1HB PRO 27 -15.672 -1.721 -2.714 211 1HG PRO 27 2HG PRO 27 -14.927 -0.040 -0.509 212 2HG PRO 27 1HG PRO 27 -16.544 -0.597 -0.948 213 1HD PRO 27 2HD PRO 27 -14.919 -1.440 1.291 214 2HD PRO 27 1HD PRO 27 -16.557 -1.986 0.860 215 H ARG 28 HN ARG 28 -13.304 -4.185 -3.389 216 HA ARG 28 HA ARG 28 -10.686 -4.093 -1.936 217 1HB ARG 28 2HB ARG 28 -11.742 -5.803 -4.212 218 2HB ARG 28 1HB ARG 28 -10.116 -5.935 -3.539 219 1HG ARG 28 2HG ARG 28 -11.140 -6.373 -1.295 220 2HG ARG 28 1HG ARG 28 -12.728 -6.384 -2.063 221 1HD ARG 28 2HD ARG 28 -11.854 -8.217 -3.600 222 2HD ARG 28 1HD ARG 28 -10.431 -8.308 -2.544 223 HE ARG 28 HE ARG 28 -13.245 -8.836 -1.664 224 1HH1 ARG 28 1HH1 ARG 28 -10.109 -10.002 -1.796 225 2HH1 ARG 28 2HH1 ARG 28 -10.049 -10.545 -0.152 226 1HH2 ARG 28 1HH2 ARG 28 -13.064 -9.072 0.722 227 2HH2 ARG 28 2HH2 ARG 28 -11.722 -10.018 1.273 228 H VAL 29 HN VAL 29 -8.938 -3.054 -2.912 229 HA VAL 29 HA VAL 29 -9.447 -1.765 -5.576 230 HB VAL 29 HB VAL 29 -7.896 -0.729 -3.179 231 1HG1 VAL 29 1HG1 VAL 29 -7.975 0.034 -5.959 232 2HG1 VAL 29 3HG1 VAL 29 -8.664 1.325 -4.974 233 3HG1 VAL 29 2HG1 VAL 29 -7.032 0.743 -4.647 234 1HG2 VAL 29 1HG2 VAL 29 -10.393 -0.882 -2.873 235 2HG2 VAL 29 3HG2 VAL 29 -9.767 0.766 -2.814 236 3HG2 VAL 29 2HG2 VAL 29 -10.575 0.181 -4.268 237 H GLY 30 HN GLY 30 -7.827 -2.063 -7.091 238 1HA GLY 30 1HA GLY 30 -5.802 -2.791 -8.028 239 2HA GLY 30 2HA GLY 30 -5.850 -4.054 -6.797 240 H LYS 31 HN LYS 31 -5.729 -0.608 -6.062 241 HA LYS 31 HA LYS 31 -2.864 -0.456 -5.675 242 1HB LYS 31 2HB LYS 31 -4.498 1.423 -6.109 243 2HB LYS 31 1HB LYS 31 -5.086 1.214 -4.460 244 1HG LYS 31 2HG LYS 31 -2.789 1.627 -3.609 245 2HG LYS 31 1HG LYS 31 -2.240 1.893 -5.264 246 1HD LYS 31 2HD LYS 31 -3.958 3.727 -5.456 247 2HD LYS 31 1HD LYS 31 -4.284 3.528 -3.734 248 1HE LYS 31 2HE LYS 31 -2.339 4.577 -3.130 249 2HE LYS 31 1HE LYS 31 -1.417 3.821 -4.443 250 1HZ LYS 31 2HZ LYS 31 -2.877 5.261 -5.955 251 2HZ LYS 31 1HZ LYS 31 -3.217 6.168 -4.558 252 3HZ LYS 31 3HZ LYS 31 -1.620 6.034 -5.114 253 H LEU 32 HN LEU 32 -1.682 -0.718 -3.754 254 HA LEU 32 HA LEU 32 -2.962 -2.315 -1.634 255 1HB LEU 32 2HB LEU 32 -0.722 -2.805 -2.629 256 2HB LEU 32 1HB LEU 32 -0.128 -1.279 -1.974 257 HG LEU 32 HG LEU 32 -0.884 -2.121 0.315 258 1HD1 LEU 32 1HD1 LEU 32 -2.377 -3.903 -0.625 259 2HD1 LEU 32 3HD1 LEU 32 -0.937 -4.771 -1.157 260 3HD1 LEU 32 2HD1 LEU 32 -1.227 -4.515 0.564 261 1HD2 LEU 32 3HD2 LEU 32 1.269 -3.650 -1.179 262 2HD2 LEU 32 2HD2 LEU 32 1.477 -2.108 -0.349 263 3HD2 LEU 32 1HD2 LEU 32 1.123 -3.566 0.576 264 H ARG 33 HN ARG 33 -3.715 -1.431 0.251 265 HA ARG 33 HA ARG 33 -3.577 1.426 0.745 266 1HB ARG 33 2HB ARG 33 -4.485 -0.969 2.376 267 2HB ARG 33 1HB ARG 33 -4.765 0.707 2.848 268 1HG ARG 33 2HG ARG 33 -5.960 1.075 0.687 269 2HG ARG 33 1HG ARG 33 -5.756 -0.638 0.317 270 1HD ARG 33 2HD ARG 33 -6.974 -1.173 2.465 271 2HD ARG 33 1HD ARG 33 -7.319 0.559 2.631 272 HE ARG 33 HE ARG 33 -8.487 -1.248 0.626 273 1HH1 ARG 33 1HH1 ARG 33 -7.583 1.978 1.441 274 2HH1 ARG 33 2HH1 ARG 33 -8.816 2.710 0.471 275 1HH2 ARG 33 1HH2 ARG 33 -10.145 -0.310 -0.594 276 2HH2 ARG 33 2HH2 ARG 33 -10.267 1.416 -0.681 277 H ASN 34 HN ASN 34 -2.163 2.526 2.106 278 HA ASN 34 HA ASN 34 -0.492 1.044 4.039 279 1HB ASN 34 2HB ASN 34 1.576 1.542 2.947 280 2HB ASN 34 1HB ASN 34 0.517 0.917 1.683 281 1HD2 ASN 34 1HD2 ASN 34 2.711 2.644 1.044 282 2HD2 ASN 34 2HD2 ASN 34 2.087 4.122 0.488 283 H PHE 35 HN PHE 35 -2.452 3.472 3.711 284 HA PHE 35 HA PHE 35 -0.720 5.634 4.797 285 1HB PHE 35 2HB PHE 35 -3.608 5.507 3.871 286 2HB PHE 35 1HB PHE 35 -2.777 6.976 4.372 287 HD1 PHE 35 HD1 PHE 35 -0.853 7.849 3.050 288 HD2 PHE 35 HD2 PHE 35 -3.186 4.495 1.729 289 HE1 PHE 35 HE1 PHE 35 0.084 8.098 0.767 290 HE2 PHE 35 HE2 PHE 35 -2.250 4.743 -0.554 291 HZ PHE 35 HZ PHE 35 -0.616 6.545 -1.035 292 H ALA 36 HN ALA 36 -1.853 3.071 6.217 293 HA ALA 36 HA ALA 36 -3.798 3.759 8.139 294 1HB ALA 36 3HB ALA 36 -2.468 1.559 7.519 295 2HB ALA 36 1HB ALA 36 -3.122 1.764 9.144 296 3HB ALA 36 2HB ALA 36 -1.413 2.074 8.834 297 HA PRO 37 HA PRO 37 -1.763 6.895 10.527 298 1HB PRO 37 2HB PRO 37 -3.402 6.232 12.796 299 2HB PRO 37 1HB PRO 37 -3.596 7.577 11.670 300 1HG PRO 37 2HG PRO 37 -5.224 5.228 11.898 301 2HG PRO 37 1HG PRO 37 -5.400 6.559 10.751 302 1HD PRO 37 2HD PRO 37 -4.481 3.862 10.232 303 2HD PRO 37 1HD PRO 37 -4.708 5.188 9.067 304 H ILE 38 HN ILE 38 -1.696 6.518 13.445 305 HA ILE 38 HA ILE 38 0.491 4.487 13.571 306 HB ILE 38 HB ILE 38 -0.260 6.981 15.098 307 1HG1 ILE 38 2HG1 ILE 38 2.391 7.118 14.552 308 2HG1 ILE 38 1HG1 ILE 38 1.860 6.087 13.223 309 1HG2 ILE 38 1HG2 ILE 38 0.974 4.615 16.179 310 2HG2 ILE 38 3HG2 ILE 38 2.160 5.917 16.127 311 3HG2 ILE 38 2HG2 ILE 38 0.638 6.145 16.986 312 1HD1 ILE 38 1HD1 ILE 38 0.511 8.702 13.940 313 2HD1 ILE 38 3HD1 ILE 38 1.786 8.572 12.729 314 3HD1 ILE 38 2HD1 ILE 38 0.256 7.729 12.492 315 HA PRO 39 HA PRO 39 -2.124 1.816 15.941 316 1HB PRO 39 2HB PRO 39 0.162 0.738 17.312 317 2HB PRO 39 1HB PRO 39 -0.732 0.028 15.967 318 1HG PRO 39 2HG PRO 39 1.901 1.162 15.921 319 2HG PRO 39 1HG PRO 39 0.994 0.480 14.569 320 1HD PRO 39 2HD PRO 39 1.598 3.263 15.089 321 2HD PRO 39 1HD PRO 39 0.725 2.571 13.703 322 H GLY 40 HN GLY 40 -2.225 1.140 18.418 323 1HA GLY 40 1HA GLY 40 -1.363 3.441 20.116 324 2HA GLY 40 2HA GLY 40 -1.700 1.821 20.726 325 H GLU 41 HN GLU 41 -4.050 2.167 18.548 326 HA GLU 41 HA GLU 41 -5.854 3.991 19.973 327 1HB GLU 41 2HB GLU 41 -6.191 2.029 17.681 328 2HB GLU 41 1HB GLU 41 -7.432 3.170 18.200 329 1HG GLU 41 2HG GLU 41 -5.837 5.041 17.785 330 2HG GLU 41 1HG GLU 41 -4.664 3.873 17.176 331 HA PRO 42 HA PRO 42 -7.465 1.065 22.856 332 1HB PRO 42 2HB PRO 42 -10.098 2.212 22.679 333 2HB PRO 42 1HB PRO 42 -8.880 2.473 23.929 334 1HG PRO 42 2HG PRO 42 -9.741 4.309 21.895 335 2HG PRO 42 1HG PRO 42 -8.519 4.569 23.142 336 1HD PRO 42 2HD PRO 42 -8.111 4.194 20.306 337 2HD PRO 42 1HD PRO 42 -6.879 4.466 21.561 338 H VAL 43 HN VAL 43 -8.018 -1.017 22.281 339 HA VAL 43 HA VAL 43 -10.306 -1.418 20.404 340 HB VAL 43 HB VAL 43 -7.520 -2.608 20.198 341 1HG1 VAL 43 3HG1 VAL 43 -9.516 -4.132 19.641 342 2HG1 VAL 43 2HG1 VAL 43 -9.833 -3.034 18.298 343 3HG1 VAL 43 1HG1 VAL 43 -8.308 -3.917 18.374 344 1HG2 VAL 43 3HG2 VAL 43 -9.092 -0.623 18.540 345 2HG2 VAL 43 2HG2 VAL 43 -7.520 -0.388 19.304 346 3HG2 VAL 43 1HG2 VAL 43 -7.673 -1.465 17.916 347 H VAL 44 HN VAL 44 -11.224 -3.588 20.568 348 HA VAL 44 HA VAL 44 -11.915 -5.507 21.749 349 HB VAL 44 HB VAL 44 -9.138 -5.252 22.939 350 1HG1 VAL 44 2HG1 VAL 44 -11.276 -7.292 22.995 351 2HG1 VAL 44 1HG1 VAL 44 -9.670 -7.911 22.609 352 3HG1 VAL 44 3HG1 VAL 44 -9.938 -7.033 24.114 353 1HG2 VAL 44 2HG2 VAL 44 -10.116 -5.964 20.240 354 2HG2 VAL 44 1HG2 VAL 44 -8.523 -5.403 20.748 355 3HG2 VAL 44 3HG2 VAL 44 -8.961 -7.100 20.937 356 HA PRO 45 HA PRO 45 -12.334 -2.618 25.533 357 1HB PRO 45 2HB PRO 45 -15.082 -2.220 24.777 358 2HB PRO 45 1HB PRO 45 -13.795 -1.015 24.857 359 1HG PRO 45 2HG PRO 45 -15.039 -2.108 22.516 360 2HG PRO 45 1HG PRO 45 -13.734 -0.922 22.594 361 1HD PRO 45 2HD PRO 45 -13.574 -3.701 21.794 362 2HD PRO 45 1HD PRO 45 -12.274 -2.489 21.825 363 H ILE 46 HN ILE 46 -15.200 -2.936 26.378 364 HA ILE 46 HA ILE 46 -15.012 -5.466 27.734 365 HB ILE 46 HB ILE 46 -17.410 -3.693 27.149 366 1HG1 ILE 46 2HG1 ILE 46 -15.704 -2.325 28.137 367 2HG1 ILE 46 1HG1 ILE 46 -16.813 -2.754 29.441 368 1HG2 ILE 46 3HG2 ILE 46 -16.980 -6.106 28.765 369 2HG2 ILE 46 2HG2 ILE 46 -17.664 -4.767 29.687 370 3HG2 ILE 46 1HG2 ILE 46 -18.490 -5.357 28.246 371 1HD1 ILE 46 2HD1 ILE 46 -15.119 -4.835 29.631 372 2HD1 ILE 46 1HD1 ILE 46 -14.008 -3.638 28.966 373 3HD1 ILE 46 3HD1 ILE 46 -14.844 -3.319 30.486 374 H LEU 47 HN LEU 47 -16.489 -4.424 24.712 375 HA LEU 47 HA LEU 47 -16.911 -7.257 23.939 376 1HB LEU 47 2HB LEU 47 -19.275 -6.777 23.372 377 2HB LEU 47 1HB LEU 47 -18.977 -6.511 25.089 378 HG LEU 47 HG LEU 47 -18.369 -4.074 23.775 379 1HD1 LEU 47 2HD1 LEU 47 -20.207 -5.532 22.225 380 2HD1 LEU 47 1HD1 LEU 47 -21.182 -4.375 23.131 381 3HD1 LEU 47 3HD1 LEU 47 -19.862 -3.807 22.107 382 1HD2 LEU 47 3HD2 LEU 47 -20.467 -5.112 25.651 383 2HD2 LEU 47 2HD2 LEU 47 -19.203 -3.917 25.942 384 3HD2 LEU 47 1HD2 LEU 47 -20.632 -3.480 25.003 385 H CYS 48 HN CYS 48 -15.020 -6.274 22.621 386 HA CYS 48 HA CYS 48 -14.208 -5.459 20.555 387 1HB CYS 48 2HB CYS 48 -17.109 -6.083 19.922 388 2HB CYS 48 1HB CYS 48 -15.865 -5.801 18.703 389 H SER 49 HN SER 49 -13.798 -3.367 19.935 390 HA SER 49 HA SER 49 -15.524 -1.195 20.835 391 1HB SER 49 2HB SER 49 -13.058 -1.095 20.810 392 2HB SER 49 1HB SER 49 -13.068 -1.282 19.055 393 HG SER 49 HG SER 49 -14.307 0.662 18.968 394 H ASN 50 HN ASN 50 -14.198 -1.734 17.577 395 HA ASN 50 HA ASN 50 -16.421 -0.345 16.307 396 1HB ASN 50 2HB ASN 50 -13.842 -1.623 15.612 397 2HB ASN 50 1HB ASN 50 -15.043 -1.624 14.323 398 1HD2 ASN 50 1HD2 ASN 50 -15.158 0.958 16.701 399 2HD2 ASN 50 2HD2 ASN 50 -14.556 2.177 15.686 400 HA PRO 51 HA PRO 51 -18.903 -4.128 16.386 401 1HB PRO 51 2HB PRO 51 -20.928 -2.632 14.994 402 2HB PRO 51 1HB PRO 51 -20.910 -3.117 16.691 403 1HG PRO 51 2HG PRO 51 -20.577 -0.483 15.621 404 2HG PRO 51 1HG PRO 51 -20.502 -0.976 17.313 405 1HD PRO 51 2HD PRO 51 -18.317 -0.168 15.586 406 2HD PRO 51 1HD PRO 51 -18.260 -0.583 17.313 407 H ASN 52 HN ASN 52 -17.644 -2.270 13.811 408 HA ASN 52 HA ASN 52 -18.408 -4.409 11.851 409 1HB ASN 52 2HB ASN 52 -18.163 -1.404 11.531 410 2HB ASN 52 1HB ASN 52 -18.367 -2.516 10.178 411 1HD2 ASN 52 1HD2 ASN 52 -20.357 -0.549 10.739 412 2HD2 ASN 52 2HD2 ASN 52 -21.758 -1.334 11.287 413 H PHE 53 HN PHE 53 -15.987 -4.147 13.563 414 HA PHE 53 HA PHE 53 -13.804 -3.280 11.800 415 1HB PHE 53 2HB PHE 53 -12.476 -3.690 13.694 416 2HB PHE 53 1HB PHE 53 -14.039 -3.345 14.430 417 HD1 PHE 53 HD1 PHE 53 -15.600 -5.738 14.116 418 HD2 PHE 53 HD2 PHE 53 -11.393 -5.368 14.909 419 HE1 PHE 53 HE1 PHE 53 -15.603 -7.979 15.174 420 HE2 PHE 53 HE2 PHE 53 -11.396 -7.615 15.971 421 HZ PHE 53 HZ PHE 53 -13.503 -8.916 16.100 422 HA PRO 54 HA PRO 54 -12.755 -7.062 9.825 423 1HB PRO 54 2HB PRO 54 -10.343 -7.727 11.257 424 2HB PRO 54 1HB PRO 54 -10.491 -6.986 9.662 425 1HG PRO 54 2HG PRO 54 -9.654 -5.741 12.112 426 2HG PRO 54 1HG PRO 54 -9.807 -5.001 10.519 427 1HD PRO 54 2HD PRO 54 -11.488 -4.603 12.824 428 2HD PRO 54 1HD PRO 54 -11.656 -3.860 11.217 429 H GLU 55 HN GLU 55 -14.661 -7.847 11.180 430 HA GLU 55 HA GLU 55 -14.728 -9.124 13.590 431 1HB GLU 55 2HB GLU 55 -16.559 -8.931 11.927 432 2HB GLU 55 1HB GLU 55 -15.810 -10.219 10.977 433 1HG GLU 55 2HG GLU 55 -16.006 -11.735 12.953 434 2HG GLU 55 1HG GLU 55 -16.858 -10.452 13.816 435 H GLU 56 HN GLU 56 -12.986 -10.257 10.747 436 HA GLU 56 HA GLU 56 -12.507 -12.956 11.443 437 1HB GLU 56 2HB GLU 56 -10.731 -10.837 10.180 438 2HB GLU 56 1HB GLU 56 -10.374 -12.564 10.150 439 1HG GLU 56 2HG GLU 56 -12.855 -11.245 9.003 440 2HG GLU 56 1HG GLU 56 -11.500 -11.882 8.070 441 H LEU 57 HN LEU 57 -11.547 -10.036 12.990 442 HA LEU 57 HA LEU 57 -9.323 -11.268 14.512 443 1HB LEU 57 2HB LEU 57 -10.630 -8.525 14.589 444 2HB LEU 57 1HB LEU 57 -9.130 -8.964 15.405 445 HG LEU 57 HG LEU 57 -9.591 -9.055 12.408 446 1HD1 LEU 57 1HD1 LEU 57 -9.365 -6.778 13.667 447 2HD1 LEU 57 3HD1 LEU 57 -7.678 -7.249 13.876 448 3HD1 LEU 57 2HD1 LEU 57 -8.348 -7.065 12.255 449 1HD2 LEU 57 3HD2 LEU 57 -7.253 -9.743 14.191 450 2HD2 LEU 57 2HD2 LEU 57 -7.992 -10.729 12.929 451 3HD2 LEU 57 1HD2 LEU 57 -7.027 -9.317 12.494 452 H LYS 58 HN LYS 58 -12.538 -11.622 14.695 453 HA LYS 58 HA LYS 58 -13.626 -10.865 17.082 454 1HB LYS 58 2HB LYS 58 -13.801 -13.102 15.252 455 2HB LYS 58 1HB LYS 58 -14.110 -13.639 16.904 456 1HG LYS 58 2HG LYS 58 -15.421 -11.101 16.381 457 2HG LYS 58 1HG LYS 58 -15.916 -12.316 15.202 458 1HD LYS 58 2HD LYS 58 -15.778 -13.329 17.961 459 2HD LYS 58 1HD LYS 58 -16.975 -12.055 17.733 460 1HE LYS 58 2HE LYS 58 -18.228 -13.943 17.139 461 2HE LYS 58 1HE LYS 58 -17.567 -13.488 15.557 462 1HZ LYS 58 2HZ LYS 58 -15.980 -15.178 17.375 463 2HZ LYS 58 1HZ LYS 58 -17.214 -15.894 16.453 464 3HZ LYS 58 3HZ LYS 58 -15.935 -15.092 15.679 465 HA PRO 59 HA PRO 59 -11.276 -14.477 19.405 466 1HB PRO 59 2HB PRO 59 -8.764 -14.695 18.006 467 2HB PRO 59 1HB PRO 59 -9.981 -15.948 18.262 468 1HG PRO 59 2HG PRO 59 -9.375 -14.494 15.828 469 2HG PRO 59 1HG PRO 59 -10.493 -15.843 16.054 470 1HD PRO 59 2HD PRO 59 -11.180 -13.135 15.547 471 2HD PRO 59 1HD PRO 59 -12.297 -14.437 16.009 472 H LEU 60 HN LEU 60 -9.359 -12.006 17.645 473 HA LEU 60 HA LEU 60 -7.551 -11.328 19.717 474 1HB LEU 60 2HB LEU 60 -7.590 -10.610 17.286 475 2HB LEU 60 1HB LEU 60 -8.874 -9.479 17.711 476 HG LEU 60 HG LEU 60 -6.572 -9.310 19.514 477 1HD1 LEU 60 2HD1 LEU 60 -5.396 -9.894 17.404 478 2HD1 LEU 60 1HD1 LEU 60 -6.217 -8.561 16.594 479 3HD1 LEU 60 3HD1 LEU 60 -5.073 -8.233 17.895 480 1HD2 LEU 60 3HD2 LEU 60 -8.639 -7.742 19.042 481 2HD2 LEU 60 2HD2 LEU 60 -7.070 -7.032 19.419 482 3HD2 LEU 60 1HD2 LEU 60 -7.619 -7.120 17.746 483 H CYS 61 HN CYS 61 -10.886 -10.204 19.087 484 HA CYS 61 HA CYS 61 -10.967 -8.155 21.078 485 1HB CYS 61 2HB CYS 61 -12.557 -8.548 19.182 486 2HB CYS 61 1HB CYS 61 -13.171 -9.964 20.036 487 H LYS 62 HN LYS 62 -11.351 -11.661 21.266 488 HA LYS 62 HA LYS 62 -12.138 -11.430 24.142 489 1HB LYS 62 2HB LYS 62 -12.140 -13.722 22.146 490 2HB LYS 62 1HB LYS 62 -12.715 -13.841 23.810 491 1HG LYS 62 2HG LYS 62 -14.346 -11.999 23.313 492 2HG LYS 62 1HG LYS 62 -13.833 -12.056 21.626 493 1HD LYS 62 2HD LYS 62 -14.459 -14.491 21.589 494 2HD LYS 62 1HD LYS 62 -15.121 -14.296 23.212 495 1HE LYS 62 2HE LYS 62 -16.844 -14.069 21.362 496 2HE LYS 62 1HE LYS 62 -16.728 -12.639 22.405 497 1HZ LYS 62 3HZ LYS 62 -15.001 -12.912 20.025 498 2HZ LYS 62 2HZ LYS 62 -16.585 -12.322 19.860 499 3HZ LYS 62 1HZ LYS 62 -15.468 -11.501 20.842 500 H GLU 63 HN GLU 63 -9.375 -10.955 23.072 501 HA GLU 63 HA GLU 63 -7.967 -13.147 24.552 502 1HB GLU 63 2HB GLU 63 -7.812 -12.177 21.814 503 2HB GLU 63 1HB GLU 63 -6.251 -12.045 22.617 504 1HG GLU 63 2HG GLU 63 -6.985 -14.285 21.401 505 2HG GLU 63 1HG GLU 63 -6.039 -14.326 22.892 506 HA PRO 64 HA PRO 64 -6.401 -9.745 26.941 507 1HB PRO 64 2HB PRO 64 -4.143 -11.347 27.726 508 2HB PRO 64 1HB PRO 64 -5.595 -10.987 28.662 509 1HG PRO 64 2HG PRO 64 -4.850 -13.486 27.482 510 2HG PRO 64 1HG PRO 64 -6.330 -13.112 28.369 511 1HD PRO 64 2HD PRO 64 -6.006 -13.549 25.516 512 2HD PRO 64 1HD PRO 64 -7.510 -13.266 26.423 513 H ASN 65 HN ASN 65 -4.502 -11.593 24.616 514 HA ASN 65 HA ASN 65 -2.281 -9.684 24.541 515 1HB ASN 65 2HB ASN 65 -3.109 -11.942 22.691 516 2HB ASN 65 1HB ASN 65 -1.521 -11.177 22.735 517 1HD2 ASN 65 1HD2 ASN 65 -0.941 -11.005 25.426 518 2HD2 ASN 65 2HD2 ASN 65 -0.939 -12.543 26.143 519 H ALA 66 HN ALA 66 -5.421 -9.756 23.171 520 HA ALA 66 HA ALA 66 -5.169 -8.740 20.587 521 1HB ALA 66 3HB ALA 66 -7.155 -9.072 22.459 522 2HB ALA 66 1HB ALA 66 -7.392 -8.331 20.878 523 3HB ALA 66 2HB ALA 66 -7.110 -7.317 22.293 524 H GLN 67 HN GLN 67 -4.774 -6.982 23.659 525 HA GLN 67 HA GLN 67 -4.575 -4.340 22.642 526 1HB GLN 67 2HB GLN 67 -3.241 -5.776 24.959 527 2HB GLN 67 1HB GLN 67 -3.192 -4.026 24.745 528 1HG GLN 67 2HG GLN 67 -5.667 -3.962 24.775 529 2HG GLN 67 1HG GLN 67 -5.703 -5.708 25.016 530 1HE2 GLN 67 1HE2 GLN 67 -6.859 -4.019 26.970 531 2HE2 GLN 67 2HE2 GLN 67 -5.907 -4.058 28.375 532 H GLU 68 HN GLU 68 -2.096 -6.886 22.975 533 HA GLU 68 HA GLU 68 0.037 -5.186 21.903 534 1HB GLU 68 2HB GLU 68 0.355 -7.007 23.575 535 2HB GLU 68 1HB GLU 68 -0.156 -8.182 22.364 536 1HG GLU 68 2HG GLU 68 1.720 -7.414 20.898 537 2HG GLU 68 1HG GLU 68 2.261 -6.356 22.201 538 H ILE 69 HN ILE 69 -2.043 -7.821 20.716 539 HA ILE 69 HA ILE 69 -0.819 -8.126 18.138 540 HB ILE 69 HB ILE 69 -3.678 -8.540 19.077 541 1HG1 ILE 69 2HG1 ILE 69 -1.367 -10.498 18.927 542 2HG1 ILE 69 1HG1 ILE 69 -1.927 -9.731 20.414 543 1HG2 ILE 69 1HG2 ILE 69 -2.133 -9.480 16.654 544 2HG2 ILE 69 3HG2 ILE 69 -3.586 -10.305 17.219 545 3HG2 ILE 69 2HG2 ILE 69 -3.674 -8.623 16.697 546 1HD1 ILE 69 2HD1 ILE 69 -4.192 -10.833 19.031 547 2HD1 ILE 69 1HD1 ILE 69 -2.952 -12.079 19.173 548 3HD1 ILE 69 3HD1 ILE 69 -3.558 -11.270 20.617 549 H LEU 70 HN LEU 70 -3.729 -6.290 19.141 550 HA LEU 70 HA LEU 70 -4.489 -5.134 16.731 551 1HB LEU 70 2HB LEU 70 -5.661 -4.835 18.855 552 2HB LEU 70 1HB LEU 70 -4.305 -3.915 19.506 553 HG LEU 70 HG LEU 70 -6.339 -2.598 18.560 554 1HD1 LEU 70 2HD1 LEU 70 -3.771 -1.923 18.971 555 2HD1 LEU 70 1HD1 LEU 70 -3.829 -1.702 17.222 556 3HD1 LEU 70 3HD1 LEU 70 -4.931 -0.800 18.262 557 1HD2 LEU 70 1HD2 LEU 70 -6.387 -3.998 16.452 558 2HD2 LEU 70 3HD2 LEU 70 -6.355 -2.258 16.170 559 3HD2 LEU 70 2HD2 LEU 70 -4.884 -3.210 15.973 560 H GLN 71 HN GLN 71 -2.214 -3.598 19.049 561 HA GLN 71 HA GLN 71 -1.371 -1.405 17.580 562 1HB GLN 71 2HB GLN 71 -0.689 -2.240 19.889 563 2HB GLN 71 1HB GLN 71 0.466 -3.294 19.075 564 1HG GLN 71 2HG GLN 71 1.508 -1.316 18.012 565 2HG GLN 71 1HG GLN 71 0.369 -0.270 18.859 566 1HE2 GLN 71 1HE2 GLN 71 3.033 0.195 19.411 567 2HE2 GLN 71 2HE2 GLN 71 3.442 -0.395 20.949 568 H ARG 72 HN ARG 72 0.073 -4.682 17.386 569 HA ARG 72 HA ARG 72 1.939 -4.150 15.316 570 1HB ARG 72 2HB ARG 72 0.374 -6.668 15.977 571 2HB ARG 72 1HB ARG 72 1.879 -6.614 15.060 572 1HG ARG 72 2HG ARG 72 1.652 -5.486 17.857 573 2HG ARG 72 1HG ARG 72 2.096 -7.165 17.552 574 1HD ARG 72 2HD ARG 72 3.561 -4.822 16.293 575 2HD ARG 72 1HD ARG 72 4.079 -5.599 17.802 576 HE ARG 72 HE ARG 72 3.591 -7.645 15.885 577 1HH1 ARG 72 1HH1 ARG 72 5.981 -5.678 17.233 578 2HH1 ARG 72 2HH1 ARG 72 7.202 -6.082 16.074 579 1HH2 ARG 72 1HH2 ARG 72 5.049 -7.888 14.042 580 2HH2 ARG 72 2HH2 ARG 72 6.675 -7.334 14.267 581 H LEU 73 HN LEU 73 -1.297 -5.682 14.988 582 HA LEU 73 HA LEU 73 -1.465 -5.893 12.220 583 1HB LEU 73 2HB LEU 73 -3.606 -4.962 14.166 584 2HB LEU 73 1HB LEU 73 -3.903 -5.687 12.587 585 HG LEU 73 HG LEU 73 -2.554 -7.003 14.962 586 1HD1 LEU 73 1HD1 LEU 73 -5.174 -7.396 13.504 587 2HD1 LEU 73 3HD1 LEU 73 -4.484 -8.637 14.549 588 3HD1 LEU 73 2HD1 LEU 73 -4.925 -7.067 15.219 589 1HD2 LEU 73 3HD2 LEU 73 -2.854 -7.857 12.076 590 2HD2 LEU 73 2HD2 LEU 73 -1.376 -7.774 13.035 591 3HD2 LEU 73 1HD2 LEU 73 -2.580 -9.018 13.376 592 H GLU 74 HN GLU 74 -2.488 -3.029 14.126 593 HA GLU 74 HA GLU 74 -3.150 -1.354 11.945 594 1HB GLU 74 2HB GLU 74 -1.910 -0.622 14.617 595 2HB GLU 74 1HB GLU 74 -2.902 0.429 13.607 596 1HG GLU 74 2HG GLU 74 -4.706 -1.412 13.795 597 2HG GLU 74 1HG GLU 74 -3.738 -2.044 15.125 598 H GLU 75 HN GLU 75 0.009 -1.704 13.637 599 HA GLU 75 HA GLU 75 1.452 0.239 12.169 600 1HB GLU 75 2HB GLU 75 2.139 -0.994 14.239 601 2HB GLU 75 1HB GLU 75 2.387 -2.437 13.256 602 1HG GLU 75 2HG GLU 75 4.035 -1.174 11.877 603 2HG GLU 75 1HG GLU 75 3.830 0.213 12.947 604 H ILE 76 HN ILE 76 1.257 -3.299 11.561 605 HA ILE 76 HA ILE 76 2.707 -3.272 9.100 606 HB ILE 76 HB ILE 76 0.484 -5.077 10.115 607 1HG1 ILE 76 2HG1 ILE 76 3.504 -5.236 10.359 608 2HG1 ILE 76 1HG1 ILE 76 2.376 -4.901 11.671 609 1HG2 ILE 76 3HG2 ILE 76 1.680 -5.015 7.586 610 2HG2 ILE 76 2HG2 ILE 76 2.541 -6.290 8.448 611 3HG2 ILE 76 1HG2 ILE 76 0.787 -6.366 8.286 612 1HD1 ILE 76 3HD1 ILE 76 1.272 -7.166 10.935 613 2HD1 ILE 76 2HD1 ILE 76 2.835 -7.471 10.180 614 3HD1 ILE 76 1HD1 ILE 76 2.735 -7.200 11.919 615 H ALA 77 HN ALA 77 -0.693 -2.699 9.865 616 HA ALA 77 HA ALA 77 -1.812 -2.792 7.252 617 1HB ALA 77 1HB ALA 77 -2.823 -2.472 9.652 618 2HB ALA 77 3HB ALA 77 -2.583 -0.753 9.336 619 3HB ALA 77 2HB ALA 77 -3.631 -1.706 8.285 620 H GLU 78 HN GLU 78 0.026 -0.280 8.931 621 HA GLU 78 HA GLU 78 -0.436 1.892 7.140 622 1HB GLU 78 2HB GLU 78 0.612 1.961 9.410 623 2HB GLU 78 1HB GLU 78 2.044 1.179 8.739 624 1HG GLU 78 2HG GLU 78 2.276 3.075 7.131 625 2HG GLU 78 1HG GLU 78 0.908 3.868 7.913 626 H ASP 79 HN ASP 79 2.023 -0.708 7.096 627 HA ASP 79 HA ASP 79 2.445 -0.171 4.198 628 1HB ASP 79 2HB ASP 79 4.180 0.607 6.358 629 2HB ASP 79 1HB ASP 79 4.990 -0.624 5.390 630 HA PRO 80 HA PRO 80 2.582 -4.545 3.851 631 1HB PRO 80 2HB PRO 80 4.835 -4.528 2.061 632 2HB PRO 80 1HB PRO 80 3.124 -4.694 1.656 633 1HG PRO 80 2HG PRO 80 4.843 -2.422 1.221 634 2HG PRO 80 1HG PRO 80 3.147 -2.606 0.772 635 1HD PRO 80 2HD PRO 80 4.236 -0.942 2.845 636 2HD PRO 80 1HD PRO 80 2.520 -1.189 2.447 637 H GLY 81 HN GLY 81 5.980 -3.383 3.631 638 1HA GLY 81 1HA GLY 81 6.665 -4.637 6.179 639 2HA GLY 81 2HA GLY 81 7.790 -3.831 5.085 640 H THR 82 HN THR 82 7.694 -6.608 6.456 641 HA THR 82 HA THR 82 8.869 -8.061 4.198 642 HB THR 82 HB THR 82 9.410 -9.679 5.944 643 HG1 THR 82 1HG THR 82 8.515 -9.405 8.013 644 1HG2 THR 82 3HG2 THR 82 10.453 -7.265 5.839 645 2HG2 THR 82 2HG2 THR 82 9.610 -7.051 7.373 646 3HG2 THR 82 1HG2 THR 82 10.821 -8.322 7.201 647 H CYS 83 HN CYS 83 5.780 -7.901 5.788 648 HA CYS 83 HA CYS 83 4.694 -10.460 5.329 649 1HB CYS 83 2HB CYS 83 3.746 -8.356 6.481 650 2HB CYS 83 1HB CYS 83 3.233 -7.851 4.872 651 H GLU 84 HN GLU 84 4.522 -7.626 3.139 652 HA GLU 84 HA GLU 84 3.285 -8.912 0.945 653 1HB GLU 84 2HB GLU 84 3.627 -6.470 1.299 654 2HB GLU 84 1HB GLU 84 5.346 -6.685 0.969 655 1HG GLU 84 2HG GLU 84 4.735 -7.630 -1.275 656 2HG GLU 84 1HG GLU 84 3.051 -7.229 -0.939 657 H ILE 85 HN ILE 85 6.699 -8.882 1.921 658 HA ILE 85 HA ILE 85 7.453 -10.277 -0.597 659 HB ILE 85 HB ILE 85 9.709 -9.751 0.099 660 1HG1 ILE 85 2HG1 ILE 85 8.417 -9.142 2.765 661 2HG1 ILE 85 1HG1 ILE 85 9.642 -10.362 2.424 662 1HG2 ILE 85 1HG2 ILE 85 7.748 -7.532 0.744 663 2HG2 ILE 85 3HG2 ILE 85 9.484 -7.279 0.564 664 3HG2 ILE 85 2HG2 ILE 85 8.529 -7.844 -0.806 665 1HD1 ILE 85 1HD1 ILE 85 10.934 -8.165 1.525 666 2HD1 ILE 85 3HD1 ILE 85 9.931 -7.424 2.773 667 3HD1 ILE 85 2HD1 ILE 85 11.049 -8.720 3.196 668 H CYS 86 HN CYS 86 6.013 -11.315 2.067 669 HA CYS 86 HA CYS 86 5.974 -13.363 3.243 670 1HB CYS 86 2HB CYS 86 7.355 -13.937 0.624 671 2HB CYS 86 1HB CYS 86 7.073 -15.225 1.796 672 H ALA 87 HN ALA 87 8.471 -11.460 3.373 673 HA ALA 87 HA ALA 87 10.766 -13.119 3.898 674 1HB ALA 87 3HB ALA 87 11.122 -10.840 5.374 675 2HB ALA 87 1HB ALA 87 9.870 -10.321 4.246 676 3HB ALA 87 2HB ALA 87 11.405 -10.940 3.637 677 H TYR 88 HN TYR 88 7.865 -12.635 5.638 678 HA TYR 88 HA TYR 88 9.006 -14.073 7.980 679 1HB TYR 88 2HB TYR 88 7.795 -11.321 7.889 680 2HB TYR 88 1HB TYR 88 7.606 -12.302 9.342 681 HD1 TYR 88 HD1 TYR 88 10.162 -10.957 6.976 682 HD2 TYR 88 HD2 TYR 88 9.373 -12.512 10.900 683 HE1 TYR 88 HE1 TYR 88 12.465 -10.361 7.673 684 HE2 TYR 88 HE2 TYR 88 11.677 -11.917 11.598 685 HH TYR 88 HH TYR 88 13.903 -11.545 10.464 686 H ALA 89 HN ALA 89 7.061 -14.581 9.534 687 HA ALA 89 HA ALA 89 5.020 -15.960 7.977 688 1HB ALA 89 2HB ALA 89 5.827 -16.987 9.967 689 2HB ALA 89 3HB ALA 89 4.208 -16.427 10.383 690 3HB ALA 89 1HB ALA 89 5.620 -15.508 10.905 691 H ALA 90 HN ALA 90 5.306 -12.756 8.690 692 HA ALA 90 HA ALA 90 2.782 -11.994 9.782 693 1HB ALA 90 3HB ALA 90 4.873 -10.726 8.023 694 2HB ALA 90 2HB ALA 90 3.400 -9.846 8.427 695 3HB ALA 90 1HB ALA 90 4.491 -10.376 9.708 696 H CYS 91 HN CYS 91 3.763 -12.787 6.468 697 HA CYS 91 HA CYS 91 0.948 -12.266 5.574 698 1HB CYS 91 2HB CYS 91 3.595 -11.664 4.542 699 2HB CYS 91 1HB CYS 91 2.647 -12.564 3.357 700 H THR 92 HN THR 92 -0.217 -14.097 5.178 701 HA THR 92 HA THR 92 1.276 -16.609 4.486 702 HB THR 92 HB THR 92 -0.466 -17.770 5.692 703 HG1 THR 92 1HG THR 92 -1.758 -15.329 6.211 704 1HG2 THR 92 2HG2 THR 92 1.324 -16.319 6.944 705 2HG2 THR 92 1HG2 THR 92 -0.064 -15.327 7.392 706 3HG2 THR 92 3HG2 THR 92 -0.009 -17.028 7.857 707 H GLY 93 HN GLY 93 0.088 -18.076 2.998 708 1HA GLY 93 1HA GLY 93 -2.071 -16.804 1.410 709 2HA GLY 93 2HA GLY 93 -1.608 -18.504 1.338 710 H CYS 94 HN CYS 94 0.693 -15.837 1.213 711 HA CYS 94 HA CYS 94 0.926 -15.653 -1.644 712 1HB CYS 94 2HB CYS 94 3.002 -14.458 -1.067 713 2HB CYS 94 1HB CYS 94 1.703 -13.984 0.026 No H/Q in entry = 713 Start of MODEL 9 1 H1 VAL 1 3H VAL 1 -2.763 -12.047 -0.081 2 H2 VAL 1 2H VAL 1 -1.581 -11.080 -0.826 3 H3 VAL 1 1H VAL 1 -1.514 -12.771 -0.973 4 HA VAL 1 HA VAL 1 -0.724 -13.084 1.154 5 HB VAL 1 HB VAL 1 1.140 -11.582 1.262 6 1HG1 VAL 1 1HG1 VAL 1 0.049 -11.740 -1.562 7 2HG1 VAL 1 3HG1 VAL 1 1.694 -11.237 -1.175 8 3HG1 VAL 1 2HG1 VAL 1 1.157 -12.871 -0.785 9 1HG2 VAL 1 2HG2 VAL 1 -0.863 -9.638 0.189 10 2HG2 VAL 1 1HG2 VAL 1 0.342 -9.421 1.459 11 3HG2 VAL 1 3HG2 VAL 1 0.831 -9.394 -0.236 12 H THR 2 HN THR 2 -1.524 -12.933 3.220 13 HA THR 2 HA THR 2 -2.641 -10.293 4.107 14 HB THR 2 HB THR 2 -4.310 -12.120 3.480 15 HG1 THR 2 1HG THR 2 -5.126 -11.915 5.902 16 1HG2 THR 2 3HG2 THR 2 -2.570 -13.647 5.104 17 2HG2 THR 2 2HG2 THR 2 -4.091 -13.518 5.988 18 3HG2 THR 2 1HG2 THR 2 -4.075 -14.178 4.352 19 H VAL 3 HN VAL 3 -2.667 -10.069 6.482 20 HA VAL 3 HA VAL 3 -0.185 -11.101 7.701 21 HB VAL 3 HB VAL 3 -2.392 -9.294 8.749 22 1HG1 VAL 3 3HG1 VAL 3 -0.294 -10.526 10.114 23 2HG1 VAL 3 2HG1 VAL 3 0.313 -8.907 9.770 24 3HG1 VAL 3 1HG1 VAL 3 -1.197 -9.112 10.658 25 1HG2 VAL 3 1HG2 VAL 3 -1.227 -8.506 6.655 26 2HG2 VAL 3 3HG2 VAL 3 -0.998 -7.445 8.045 27 3HG2 VAL 3 2HG2 VAL 3 0.290 -8.545 7.551 28 H GLN 4 HN GLN 4 -0.267 -13.101 8.687 29 HA GLN 4 HA GLN 4 -2.875 -13.974 9.864 30 1HB GLN 4 2HB GLN 4 -1.928 -15.350 8.070 31 2HB GLN 4 1HB GLN 4 -0.411 -15.495 8.958 32 1HG GLN 4 2HG GLN 4 -1.623 -16.617 10.811 33 2HG GLN 4 1HG GLN 4 -3.120 -16.505 9.884 34 1HE2 GLN 4 1HE2 GLN 4 -1.067 -18.815 10.720 35 2HE2 GLN 4 2HE2 GLN 4 -0.964 -19.721 9.288 36 H ASP 5 HN ASP 5 -2.916 -13.554 12.032 37 HA ASP 5 HA ASP 5 -0.414 -13.708 13.629 38 1HB ASP 5 2HB ASP 5 -3.264 -12.823 14.193 39 2HB ASP 5 1HB ASP 5 -1.963 -12.757 15.382 40 H GLY 6 HN GLY 6 -2.601 -15.866 12.520 41 1HA GLY 6 1HA GLY 6 -3.637 -17.318 14.667 42 2HA GLY 6 2HA GLY 6 -1.968 -17.865 14.505 43 H ASN 7 HN ASN 7 -4.530 -19.306 13.933 44 HA ASN 7 HA ASN 7 -3.718 -20.480 11.378 45 1HB ASN 7 2HB ASN 7 -6.041 -20.957 13.272 46 2HB ASN 7 1HB ASN 7 -5.628 -22.002 11.912 47 1HD2 ASN 7 1HD2 ASN 7 -5.572 -23.008 14.584 48 2HD2 ASN 7 2HD2 ASN 7 -3.960 -23.328 15.010 49 H PHE 8 HN PHE 8 -5.267 -17.669 11.896 50 HA PHE 8 HA PHE 8 -7.216 -18.095 9.651 51 1HB PHE 8 2HB PHE 8 -7.245 -16.176 12.005 52 2HB PHE 8 1HB PHE 8 -8.477 -16.243 10.745 53 HD1 PHE 8 HD1 PHE 8 -9.985 -18.178 10.552 54 HD2 PHE 8 HD2 PHE 8 -7.062 -17.923 13.689 55 HE1 PHE 8 HE1 PHE 8 -11.133 -20.008 11.770 56 HE2 PHE 8 HE2 PHE 8 -8.211 -19.752 14.908 57 HZ PHE 8 HZ PHE 8 -10.246 -20.795 13.947 58 H SER 9 HN SER 9 -7.242 -16.498 8.003 59 HA SER 9 HA SER 9 -4.769 -14.894 7.748 60 1HB SER 9 2HB SER 9 -5.321 -16.009 5.770 61 2HB SER 9 1HB SER 9 -7.054 -15.798 6.022 62 HG SER 9 HG SER 9 -6.641 -14.313 4.534 63 H PHE 10 HN PHE 10 -4.762 -12.794 8.473 64 HA PHE 10 HA PHE 10 -7.383 -11.375 8.729 65 1HB PHE 10 2HB PHE 10 -4.663 -10.959 10.011 66 2HB PHE 10 1HB PHE 10 -6.085 -9.975 10.345 67 HD1 PHE 10 HD1 PHE 10 -4.616 -13.363 10.654 68 HD2 PHE 10 HD2 PHE 10 -7.880 -10.786 11.728 69 HE1 PHE 10 HE1 PHE 10 -5.355 -15.009 12.357 70 HE2 PHE 10 HE2 PHE 10 -8.618 -12.432 13.428 71 HZ PHE 10 HZ PHE 10 -7.358 -14.541 13.745 72 H SER 11 HN SER 11 -7.761 -9.927 7.082 73 HA SER 11 HA SER 11 -5.673 -8.952 5.319 74 1HB SER 11 2HB SER 11 -7.510 -7.778 4.291 75 2HB SER 11 1HB SER 11 -8.157 -9.319 4.851 76 HG SER 11 HG SER 11 -9.085 -8.316 6.567 77 H LEU 12 HN LEU 12 -5.374 -6.482 5.047 78 HA LEU 12 HA LEU 12 -4.988 -5.280 7.754 79 1HB LEU 12 2HB LEU 12 -3.795 -4.701 5.025 80 2HB LEU 12 1HB LEU 12 -3.332 -3.882 6.517 81 HG LEU 12 HG LEU 12 -2.863 -6.249 7.445 82 1HD1 LEU 12 2HD1 LEU 12 -3.472 -6.775 4.582 83 2HD1 LEU 12 1HD1 LEU 12 -2.085 -7.629 5.259 84 3HD1 LEU 12 3HD1 LEU 12 -3.680 -7.821 5.987 85 1HD2 LEU 12 1HD2 LEU 12 -1.264 -4.783 5.367 86 2HD2 LEU 12 3HD2 LEU 12 -0.952 -4.954 7.093 87 3HD2 LEU 12 2HD2 LEU 12 -0.659 -6.311 6.007 88 H GLU 13 HN GLU 13 -7.195 -5.138 5.256 89 HA GLU 13 HA GLU 13 -7.573 -2.309 4.886 90 1HB GLU 13 2HB GLU 13 -9.470 -4.673 4.694 91 2HB GLU 13 1HB GLU 13 -9.794 -3.069 4.036 92 1HG GLU 13 2HG GLU 13 -7.753 -3.262 2.629 93 2HG GLU 13 1HG GLU 13 -7.506 -4.897 3.245 94 H SER 14 HN SER 14 -9.823 -4.490 6.601 95 HA SER 14 HA SER 14 -11.364 -2.684 7.992 96 1HB SER 14 2HB SER 14 -10.184 -5.160 9.260 97 2HB SER 14 1HB SER 14 -11.796 -4.488 9.498 98 HG SER 14 HG SER 14 -12.093 -4.883 7.187 99 H VAL 15 HN VAL 15 -8.259 -4.003 9.236 100 HA VAL 15 HA VAL 15 -8.194 -2.507 11.641 101 HB VAL 15 HB VAL 15 -5.730 -2.973 11.458 102 1HG1 VAL 15 3HG1 VAL 15 -7.851 -4.686 11.817 103 2HG1 VAL 15 2HG1 VAL 15 -6.944 -5.497 10.535 104 3HG1 VAL 15 1HG1 VAL 15 -6.158 -5.123 12.070 105 1HG2 VAL 15 1HG2 VAL 15 -6.597 -3.823 8.683 106 2HG2 VAL 15 3HG2 VAL 15 -5.323 -2.684 9.118 107 3HG2 VAL 15 2HG2 VAL 15 -5.109 -4.406 9.430 108 H LYS 16 HN LYS 16 -6.795 -1.709 8.434 109 HA LYS 16 HA LYS 16 -5.679 0.808 9.088 110 1HB LYS 16 2HB LYS 16 -6.920 -0.444 6.641 111 2HB LYS 16 1HB LYS 16 -6.336 1.219 6.581 112 1HG LYS 16 2HG LYS 16 -4.111 0.481 7.313 113 2HG LYS 16 1HG LYS 16 -4.689 -1.181 7.440 114 1HD LYS 16 2HD LYS 16 -5.329 -0.987 4.969 115 2HD LYS 16 1HD LYS 16 -4.372 0.495 4.942 116 1HE LYS 16 2HE LYS 16 -2.474 -0.728 4.750 117 2HE LYS 16 1HE LYS 16 -2.861 -1.588 6.251 118 1HZ LYS 16 2HZ LYS 16 -4.510 -2.883 4.892 119 2HZ LYS 16 1HZ LYS 16 -3.799 -2.210 3.503 120 3HZ LYS 16 3HZ LYS 16 -2.881 -3.199 4.530 121 H LYS 17 HN LYS 17 -8.925 0.106 7.743 122 HA LYS 17 HA LYS 17 -9.901 2.811 8.306 123 1HB LYS 17 2HB LYS 17 -10.584 1.451 6.351 124 2HB LYS 17 1HB LYS 17 -11.252 0.232 7.435 125 1HG LYS 17 2HG LYS 17 -12.732 2.089 8.385 126 2HG LYS 17 1HG LYS 17 -12.216 3.068 7.014 127 1HD LYS 17 2HD LYS 17 -13.161 1.528 5.445 128 2HD LYS 17 1HD LYS 17 -13.402 0.304 6.690 129 1HE LYS 17 2HE LYS 17 -14.893 2.172 7.823 130 2HE LYS 17 1HE LYS 17 -14.976 2.811 6.170 131 1HZ LYS 17 3HZ LYS 17 -15.218 0.048 5.990 132 2HZ LYS 17 2HZ LYS 17 -16.253 0.523 7.251 133 3HZ LYS 17 1HZ LYS 17 -16.427 1.203 5.704 134 H LEU 18 HN LEU 18 -9.102 0.493 10.407 135 HA LEU 18 HA LEU 18 -11.401 -0.134 11.945 136 1HB LEU 18 2HB LEU 18 -9.097 -1.107 12.047 137 2HB LEU 18 1HB LEU 18 -8.533 0.383 12.803 138 HG LEU 18 HG LEU 18 -9.904 0.016 14.738 139 1HD1 LEU 18 1HD1 LEU 18 -11.343 -1.765 12.875 140 2HD1 LEU 18 3HD1 LEU 18 -11.171 -2.405 14.510 141 3HD1 LEU 18 2HD1 LEU 18 -11.955 -0.846 14.251 142 1HD2 LEU 18 2HD2 LEU 18 -7.787 -1.499 14.230 143 2HD2 LEU 18 1HD2 LEU 18 -8.801 -1.832 15.636 144 3HD2 LEU 18 3HD2 LEU 18 -8.991 -2.789 14.166 145 H LYS 19 HN LYS 19 -9.333 2.744 11.876 146 HA LYS 19 HA LYS 19 -10.344 3.981 14.274 147 1HB LYS 19 2HB LYS 19 -8.232 4.541 13.063 148 2HB LYS 19 1HB LYS 19 -9.195 5.190 11.735 149 1HG LYS 19 2HG LYS 19 -10.227 6.816 13.304 150 2HG LYS 19 1HG LYS 19 -9.205 6.191 14.600 151 1HD LYS 19 2HD LYS 19 -7.192 6.806 13.283 152 2HD LYS 19 1HD LYS 19 -8.234 7.474 12.026 153 1HE LYS 19 2HE LYS 19 -8.999 9.228 13.443 154 2HE LYS 19 1HE LYS 19 -8.406 8.414 14.902 155 1HZ LYS 19 2HZ LYS 19 -6.541 9.032 12.704 156 2HZ LYS 19 1HZ LYS 19 -6.968 10.261 13.797 157 3HZ LYS 19 3HZ LYS 19 -6.219 8.847 14.362 158 H ASP 20 HN ASP 20 -11.305 4.120 10.854 159 HA ASP 20 HA ASP 20 -13.771 5.627 11.670 160 1HB ASP 20 2HB ASP 20 -12.084 6.781 10.190 161 2HB ASP 20 1HB ASP 20 -12.365 5.529 8.980 162 H LEU 21 HN LEU 21 -14.904 3.602 12.083 163 HA LEU 21 HA LEU 21 -15.045 1.392 10.301 164 1HB LEU 21 2HB LEU 21 -15.767 1.574 12.713 165 2HB LEU 21 1HB LEU 21 -17.187 2.460 12.160 166 HG LEU 21 HG LEU 21 -18.081 0.586 11.055 167 1HD1 LEU 21 1HD1 LEU 21 -15.230 -0.366 11.036 168 2HD1 LEU 21 3HD1 LEU 21 -16.539 -1.534 10.863 169 3HD1 LEU 21 2HD1 LEU 21 -16.362 -0.226 9.692 170 1HD2 LEU 21 1HD2 LEU 21 -17.391 0.370 13.722 171 2HD2 LEU 21 3HD2 LEU 21 -18.485 -0.717 12.866 172 3HD2 LEU 21 2HD2 LEU 21 -16.782 -1.140 13.044 173 H GLN 22 HN GLN 22 -16.876 4.432 10.362 174 HA GLN 22 HA GLN 22 -18.803 3.555 8.348 175 1HB GLN 22 2HB GLN 22 -18.038 6.261 9.488 176 2HB GLN 22 1HB GLN 22 -19.447 5.969 8.468 177 1HG GLN 22 2HG GLN 22 -20.238 4.280 10.148 178 2HG GLN 22 1HG GLN 22 -18.895 4.747 11.188 179 1HE2 GLN 22 1HE2 GLN 22 -19.647 7.573 9.665 180 2HE2 GLN 22 2HE2 GLN 22 -20.793 8.198 10.749 181 H GLU 23 HN GLU 23 -18.969 4.656 6.209 182 HA GLU 23 HA GLU 23 -18.037 5.255 4.123 183 1HB GLU 23 2HB GLU 23 -16.294 6.661 6.158 184 2HB GLU 23 1HB GLU 23 -16.087 6.905 4.424 185 1HG GLU 23 2HG GLU 23 -18.800 7.197 4.692 186 2HG GLU 23 1HG GLU 23 -18.224 7.867 6.219 187 HA PRO 24 HA PRO 24 -15.036 1.757 4.446 188 1HB PRO 24 2HB PRO 24 -16.028 0.985 1.857 189 2HB PRO 24 1HB PRO 24 -16.274 0.169 3.403 190 1HG PRO 24 2HG PRO 24 -18.201 1.635 1.868 191 2HG PRO 24 1HG PRO 24 -18.435 0.854 3.434 192 1HD PRO 24 2HD PRO 24 -18.264 3.689 2.856 193 2HD PRO 24 1HD PRO 24 -18.569 2.904 4.423 194 H GLN 25 HN GLN 25 -13.123 2.946 4.049 195 HA GLN 25 HA GLN 25 -12.638 4.584 1.749 196 1HB GLN 25 2HB GLN 25 -11.451 4.564 3.982 197 2HB GLN 25 1HB GLN 25 -10.647 3.081 3.471 198 1HG GLN 25 2HG GLN 25 -9.673 4.246 1.544 199 2HG GLN 25 1HG GLN 25 -10.523 5.726 1.989 200 1HE2 GLN 25 1HE2 GLN 25 -7.782 5.951 1.863 201 2HE2 GLN 25 2HE2 GLN 25 -7.105 6.011 3.418 202 H GLU 26 HN GLU 26 -12.042 1.156 2.406 203 HA GLU 26 HA GLU 26 -11.318 0.809 -0.484 204 1HB GLU 26 2HB GLU 26 -9.777 -1.007 0.405 205 2HB GLU 26 1HB GLU 26 -9.316 0.636 0.854 206 1HG GLU 26 2HG GLU 26 -11.171 -0.788 2.700 207 2HG GLU 26 1HG GLU 26 -9.499 -1.351 2.662 208 HA PRO 27 HA PRO 27 -15.003 -1.778 0.820 209 1HB PRO 27 2HB PRO 27 -16.047 -1.191 -1.796 210 2HB PRO 27 1HB PRO 27 -16.667 -0.655 -0.233 211 1HG PRO 27 2HG PRO 27 -15.319 0.912 -2.226 212 2HG PRO 27 1HG PRO 27 -15.930 1.446 -0.659 213 1HD PRO 27 2HD PRO 27 -13.178 1.080 -1.460 214 2HD PRO 27 1HD PRO 27 -13.794 1.630 0.115 215 H ARG 28 HN ARG 28 -12.820 -1.632 -1.907 216 HA ARG 28 HA ARG 28 -13.378 -4.526 -2.487 217 1HB ARG 28 2HB ARG 28 -12.413 -2.261 -4.265 218 2HB ARG 28 1HB ARG 28 -12.579 -3.937 -4.786 219 1HG ARG 28 2HG ARG 28 -15.001 -3.834 -4.127 220 2HG ARG 28 1HG ARG 28 -14.792 -2.114 -3.801 221 1HD ARG 28 2HD ARG 28 -15.663 -2.344 -6.064 222 2HD ARG 28 1HD ARG 28 -13.959 -1.871 -6.197 223 HE ARG 28 HE ARG 28 -14.356 -4.768 -6.074 224 1HH1 ARG 28 1HH1 ARG 28 -15.970 -4.056 -8.429 225 2HH1 ARG 28 2HH1 ARG 28 -14.800 -3.999 -9.705 226 1HH2 ARG 28 1HH2 ARG 28 -12.082 -3.788 -7.563 227 2HH2 ARG 28 2HH2 ARG 28 -12.599 -3.846 -9.214 228 H VAL 29 HN VAL 29 -11.237 -5.373 -3.757 229 HA VAL 29 HA VAL 29 -8.918 -4.702 -1.974 230 HB VAL 29 HB VAL 29 -9.974 -6.975 -1.812 231 1HG1 VAL 29 3HG1 VAL 29 -10.313 -6.826 -4.472 232 2HG1 VAL 29 2HG1 VAL 29 -8.782 -7.701 -4.448 233 3HG1 VAL 29 1HG1 VAL 29 -10.194 -8.371 -3.632 234 1HG2 VAL 29 3HG2 VAL 29 -7.135 -6.582 -2.718 235 2HG2 VAL 29 2HG2 VAL 29 -7.742 -7.001 -1.116 236 3HG2 VAL 29 1HG2 VAL 29 -7.730 -8.211 -2.400 237 H GLY 30 HN GLY 30 -6.836 -4.525 -2.980 238 1HA GLY 30 1HA GLY 30 -6.845 -4.470 -5.967 239 2HA GLY 30 2HA GLY 30 -5.407 -4.726 -4.977 240 H LYS 31 HN LYS 31 -7.409 -2.367 -3.619 241 HA LYS 31 HA LYS 31 -6.324 -0.096 -5.161 242 1HB LYS 31 2HB LYS 31 -8.102 -0.355 -2.713 243 2HB LYS 31 1HB LYS 31 -7.743 1.172 -3.520 244 1HG LYS 31 2HG LYS 31 -8.686 0.238 -5.632 245 2HG LYS 31 1HG LYS 31 -9.115 -1.235 -4.761 246 1HD LYS 31 2HD LYS 31 -10.508 0.123 -3.210 247 2HD LYS 31 1HD LYS 31 -10.125 1.561 -4.155 248 1HE LYS 31 2HE LYS 31 -11.189 -0.779 -5.672 249 2HE LYS 31 1HE LYS 31 -12.335 0.098 -4.641 250 1HZ LYS 31 3HZ LYS 31 -11.398 2.184 -5.628 251 2HZ LYS 31 2HZ LYS 31 -10.570 1.219 -6.755 252 3HZ LYS 31 1HZ LYS 31 -12.269 1.224 -6.722 253 H LEU 32 HN LEU 32 -5.393 1.770 -3.756 254 HA LEU 32 HA LEU 32 -2.967 0.922 -2.498 255 1HB LEU 32 2HB LEU 32 -3.737 3.167 -3.602 256 2HB LEU 32 1HB LEU 32 -4.331 3.562 -1.988 257 HG LEU 32 HG LEU 32 -2.097 4.422 -2.108 258 1HD1 LEU 32 2HD1 LEU 32 -2.781 2.993 -0.078 259 2HD1 LEU 32 1HD1 LEU 32 -1.754 1.735 -0.768 260 3HD1 LEU 32 3HD1 LEU 32 -1.055 3.285 -0.299 261 1HD2 LEU 32 2HD2 LEU 32 -1.682 2.558 -4.043 262 2HD2 LEU 32 1HD2 LEU 32 -0.377 3.437 -3.247 263 3HD2 LEU 32 3HD2 LEU 32 -0.811 1.816 -2.701 264 H ARG 33 HN ARG 33 -2.816 -0.045 -0.516 265 HA ARG 33 HA ARG 33 -4.594 0.938 1.679 266 1HB ARG 33 2HB ARG 33 -4.950 -1.414 2.325 267 2HB ARG 33 1HB ARG 33 -5.475 -1.148 0.663 268 1HG ARG 33 2HG ARG 33 -3.144 -1.920 -0.049 269 2HG ARG 33 1HG ARG 33 -2.919 -2.461 1.614 270 1HD ARG 33 2HD ARG 33 -5.035 -3.826 1.375 271 2HD ARG 33 1HD ARG 33 -5.031 -3.411 -0.350 272 HE ARG 33 HE ARG 33 -2.445 -4.400 0.561 273 1HH1 ARG 33 1HH1 ARG 33 -3.344 -5.018 -2.143 274 2HH1 ARG 33 2HH1 ARG 33 -3.865 -6.665 -2.033 275 1HH2 ARG 33 1HH2 ARG 33 -4.094 -6.641 1.426 276 2HH2 ARG 33 2HH2 ARG 33 -4.290 -7.585 -0.012 277 H ASN 34 HN ASN 34 -2.281 2.062 1.864 278 HA ASN 34 HA ASN 34 -0.676 0.381 3.752 279 1HB ASN 34 2HB ASN 34 0.284 2.089 1.433 280 2HB ASN 34 1HB ASN 34 1.355 1.393 2.650 281 1HD2 ASN 34 1HD2 ASN 34 1.551 0.657 -0.121 282 2HD2 ASN 34 2HD2 ASN 34 1.094 -0.971 -0.272 283 H PHE 35 HN PHE 35 -2.128 1.841 5.194 284 HA PHE 35 HA PHE 35 -0.544 3.979 6.286 285 1HB PHE 35 2HB PHE 35 -1.259 5.022 4.154 286 2HB PHE 35 1HB PHE 35 -2.945 4.750 4.594 287 HD1 PHE 35 HD1 PHE 35 0.167 6.535 5.580 288 HD2 PHE 35 HD2 PHE 35 -4.082 6.202 6.104 289 HE1 PHE 35 HE1 PHE 35 0.160 8.659 6.860 290 HE2 PHE 35 HE2 PHE 35 -4.091 8.327 7.385 291 HZ PHE 35 HZ PHE 35 -1.969 9.555 7.763 292 H ALA 36 HN ALA 36 -1.242 2.572 8.119 293 HA ALA 36 HA ALA 36 -4.058 2.443 8.865 294 1HB ALA 36 3HB ALA 36 -2.113 1.995 10.988 295 2HB ALA 36 2HB ALA 36 -3.212 0.844 10.228 296 3HB ALA 36 1HB ALA 36 -1.640 1.173 9.501 297 HA PRO 37 HA PRO 37 -4.472 6.280 10.969 298 1HB PRO 37 2HB PRO 37 -5.975 5.114 13.127 299 2HB PRO 37 1HB PRO 37 -6.588 5.984 11.719 300 1HG PRO 37 2HG PRO 37 -6.789 3.182 12.270 301 2HG PRO 37 1HG PRO 37 -7.357 4.042 10.837 302 1HD PRO 37 2HD PRO 37 -5.088 2.246 11.070 303 2HD PRO 37 1HD PRO 37 -5.712 3.046 9.609 304 H ILE 38 HN ILE 38 -1.976 5.218 11.538 305 HA ILE 38 HA ILE 38 -0.280 5.198 13.180 306 HB ILE 38 HB ILE 38 -2.342 6.888 14.628 307 1HG1 ILE 38 2HG1 ILE 38 -0.213 8.070 12.902 308 2HG1 ILE 38 1HG1 ILE 38 -1.611 7.363 12.095 309 1HG2 ILE 38 3HG2 ILE 38 0.207 6.045 15.394 310 2HG2 ILE 38 2HG2 ILE 38 0.465 7.672 14.763 311 3HG2 ILE 38 1HG2 ILE 38 -0.684 7.407 16.073 312 1HD1 ILE 38 2HD1 ILE 38 -1.845 9.358 14.361 313 2HD1 ILE 38 1HD1 ILE 38 -1.835 9.828 12.661 314 3HD1 ILE 38 3HD1 ILE 38 -3.126 8.801 13.285 315 HA PRO 39 HA PRO 39 -1.851 1.708 15.569 316 1HB PRO 39 2HB PRO 39 0.848 1.331 16.492 317 2HB PRO 39 1HB PRO 39 -0.036 0.379 15.297 318 1HG PRO 39 2HG PRO 39 2.123 2.220 14.843 319 2HG PRO 39 1HG PRO 39 1.246 1.262 13.650 320 1HD PRO 39 2HD PRO 39 1.102 4.110 14.083 321 2HD PRO 39 1HD PRO 39 0.207 3.142 12.888 322 H GLY 40 HN GLY 40 -1.839 1.221 17.934 323 1HA GLY 40 1HA GLY 40 -0.895 3.488 19.627 324 2HA GLY 40 2HA GLY 40 -1.228 1.861 20.219 325 H GLU 41 HN GLU 41 -3.727 1.913 18.420 326 HA GLU 41 HA GLU 41 -5.417 3.597 20.243 327 1HB GLU 41 2HB GLU 41 -5.363 3.118 17.284 328 2HB GLU 41 1HB GLU 41 -6.918 3.445 18.048 329 1HG GLU 41 2HG GLU 41 -5.925 5.500 19.076 330 2HG GLU 41 1HG GLU 41 -4.442 5.193 18.173 331 HA PRO 42 HA PRO 42 -6.462 -0.946 20.669 332 1HB PRO 42 2HB PRO 42 -6.962 -0.332 23.434 333 2HB PRO 42 1HB PRO 42 -5.674 -1.330 22.758 334 1HG PRO 42 2HG PRO 42 -5.452 1.288 23.921 335 2HG PRO 42 1HG PRO 42 -4.163 0.286 23.250 336 1HD PRO 42 2HD PRO 42 -5.300 2.689 22.129 337 2HD PRO 42 1HD PRO 42 -4.009 1.672 21.447 338 H VAL 43 HN VAL 43 -8.611 -1.692 20.694 339 HA VAL 43 HA VAL 43 -10.740 0.199 21.600 340 HB VAL 43 HB VAL 43 -11.918 -0.480 19.411 341 1HG1 VAL 43 2HG1 VAL 43 -10.231 1.613 20.044 342 2HG1 VAL 43 1HG1 VAL 43 -9.533 1.002 18.545 343 3HG1 VAL 43 3HG1 VAL 43 -11.220 1.515 18.587 344 1HG2 VAL 43 1HG2 VAL 43 -9.705 -2.169 19.229 345 2HG2 VAL 43 3HG2 VAL 43 -10.848 -1.812 17.934 346 3HG2 VAL 43 2HG2 VAL 43 -9.356 -0.882 18.075 347 H VAL 44 HN VAL 44 -10.093 -1.916 23.168 348 HA VAL 44 HA VAL 44 -12.321 -3.848 22.653 349 HB VAL 44 HB VAL 44 -9.433 -4.378 23.404 350 1HG1 VAL 44 1HG1 VAL 44 -11.808 -5.801 24.201 351 2HG1 VAL 44 3HG1 VAL 44 -10.872 -6.801 23.092 352 3HG1 VAL 44 2HG1 VAL 44 -10.124 -6.181 24.564 353 1HG2 VAL 44 1HG2 VAL 44 -11.201 -4.889 21.043 354 2HG2 VAL 44 3HG2 VAL 44 -9.510 -4.390 21.087 355 3HG2 VAL 44 2HG2 VAL 44 -9.945 -6.068 21.415 356 HA PRO 45 HA PRO 45 -12.005 -1.879 26.993 357 1HB PRO 45 2HB PRO 45 -14.710 -0.982 26.602 358 2HB PRO 45 1HB PRO 45 -13.257 0.001 26.797 359 1HG PRO 45 2HG PRO 45 -14.796 -0.435 24.404 360 2HG PRO 45 1HG PRO 45 -13.363 0.574 24.606 361 1HD PRO 45 2HD PRO 45 -13.562 -1.937 23.210 362 2HD PRO 45 1HD PRO 45 -12.109 -0.942 23.459 363 H ILE 46 HN ILE 46 -14.564 -3.569 25.200 364 HA ILE 46 HA ILE 46 -14.926 -5.405 27.521 365 HB ILE 46 HB ILE 46 -17.122 -3.890 26.069 366 1HG1 ILE 46 2HG1 ILE 46 -16.190 -3.730 28.951 367 2HG1 ILE 46 1HG1 ILE 46 -15.800 -2.544 27.705 368 1HG2 ILE 46 1HG2 ILE 46 -17.169 -6.011 28.228 369 2HG2 ILE 46 3HG2 ILE 46 -18.543 -4.957 27.894 370 3HG2 ILE 46 2HG2 ILE 46 -17.956 -6.062 26.650 371 1HD1 ILE 46 1HD1 ILE 46 -18.656 -3.302 28.328 372 2HD1 ILE 46 3HD1 ILE 46 -17.823 -2.030 29.220 373 3HD1 ILE 46 2HD1 ILE 46 -18.064 -1.873 27.480 374 H LEU 47 HN LEU 47 -15.592 -4.654 24.108 375 HA LEU 47 HA LEU 47 -14.970 -7.319 23.211 376 1HB LEU 47 2HB LEU 47 -17.094 -7.729 24.446 377 2HB LEU 47 1HB LEU 47 -17.907 -6.565 23.401 378 HG LEU 47 HG LEU 47 -17.080 -8.005 21.437 379 1HD1 LEU 47 2HD1 LEU 47 -15.600 -9.266 23.324 380 2HD1 LEU 47 1HD1 LEU 47 -17.019 -10.313 23.303 381 3HD1 LEU 47 3HD1 LEU 47 -16.104 -10.039 21.821 382 1HD2 LEU 47 1HD2 LEU 47 -19.426 -7.946 22.614 383 2HD2 LEU 47 3HD2 LEU 47 -19.064 -9.247 21.481 384 3HD2 LEU 47 2HD2 LEU 47 -18.959 -9.536 23.217 385 H CYS 48 HN CYS 48 -13.915 -6.337 21.456 386 HA CYS 48 HA CYS 48 -13.663 -4.922 19.544 387 1HB CYS 48 2HB CYS 48 -16.134 -6.634 19.182 388 2HB CYS 48 1HB CYS 48 -15.390 -5.742 17.854 389 H SER 49 HN SER 49 -14.025 -2.758 20.232 390 HA SER 49 HA SER 49 -16.540 -1.599 20.877 391 1HB SER 49 2HB SER 49 -15.332 0.471 20.677 392 2HB SER 49 1HB SER 49 -14.178 -0.735 21.248 393 HG SER 49 HG SER 49 -13.682 -1.040 18.947 394 H ASN 50 HN ASN 50 -14.874 -1.894 17.733 395 HA ASN 50 HA ASN 50 -16.935 -0.376 16.319 396 1HB ASN 50 2HB ASN 50 -14.406 -1.858 15.733 397 2HB ASN 50 1HB ASN 50 -15.512 -1.566 14.390 398 1HD2 ASN 50 1HD2 ASN 50 -13.588 -0.112 13.682 399 2HD2 ASN 50 2HD2 ASN 50 -13.573 1.482 14.266 400 HA PRO 51 HA PRO 51 -19.602 -4.017 16.232 401 1HB PRO 51 2HB PRO 51 -21.358 -2.496 14.537 402 2HB PRO 51 1HB PRO 51 -21.568 -2.894 16.243 403 1HG PRO 51 2HG PRO 51 -20.937 -0.340 15.093 404 2HG PRO 51 1HG PRO 51 -21.140 -0.740 16.800 405 1HD PRO 51 2HD PRO 51 -18.690 -0.121 15.402 406 2HD PRO 51 1HD PRO 51 -18.896 -0.516 17.124 407 H ASN 52 HN ASN 52 -17.887 -2.439 13.746 408 HA ASN 52 HA ASN 52 -18.486 -4.695 11.878 409 1HB ASN 52 2HB ASN 52 -18.402 -1.719 11.301 410 2HB ASN 52 1HB ASN 52 -18.458 -2.959 10.049 411 1HD2 ASN 52 1HD2 ASN 52 -20.583 -1.032 10.406 412 2HD2 ASN 52 2HD2 ASN 52 -21.970 -1.872 10.907 413 H PHE 53 HN PHE 53 -16.174 -4.124 13.698 414 HA PHE 53 HA PHE 53 -13.952 -3.192 12.058 415 1HB PHE 53 2HB PHE 53 -12.704 -3.599 14.006 416 2HB PHE 53 1HB PHE 53 -14.322 -3.376 14.676 417 HD1 PHE 53 HD1 PHE 53 -15.788 -5.710 14.453 418 HD2 PHE 53 HD2 PHE 53 -11.528 -5.397 14.918 419 HE1 PHE 53 HE1 PHE 53 -15.722 -8.002 15.392 420 HE2 PHE 53 HE2 PHE 53 -11.463 -7.698 15.861 421 HZ PHE 53 HZ PHE 53 -13.562 -8.994 16.094 422 HA PRO 54 HA PRO 54 -12.597 -6.902 10.096 423 1HB PRO 54 2HB PRO 54 -10.299 -7.550 11.713 424 2HB PRO 54 1HB PRO 54 -10.328 -6.767 10.131 425 1HG PRO 54 2HG PRO 54 -9.721 -5.573 12.667 426 2HG PRO 54 1HG PRO 54 -9.789 -4.783 11.091 427 1HD PRO 54 2HD PRO 54 -11.647 -4.542 13.287 428 2HD PRO 54 1HD PRO 54 -11.703 -3.713 11.715 429 H GLU 55 HN GLU 55 -14.593 -7.728 11.308 430 HA GLU 55 HA GLU 55 -14.812 -9.085 13.665 431 1HB GLU 55 2HB GLU 55 -16.526 -8.852 11.883 432 2HB GLU 55 1HB GLU 55 -15.706 -10.112 10.953 433 1HG GLU 55 2HG GLU 55 -16.033 -11.683 12.864 434 2HG GLU 55 1HG GLU 55 -16.938 -10.425 13.709 435 H GLU 56 HN GLU 56 -12.948 -10.192 10.864 436 HA GLU 56 HA GLU 56 -12.482 -12.886 11.590 437 1HB GLU 56 2HB GLU 56 -10.628 -10.797 10.391 438 2HB GLU 56 1HB GLU 56 -10.352 -12.538 10.325 439 1HG GLU 56 2HG GLU 56 -12.500 -12.819 9.121 440 2HG GLU 56 1HG GLU 56 -12.739 -11.071 9.160 441 H LEU 57 HN LEU 57 -11.321 -9.895 12.964 442 HA LEU 57 HA LEU 57 -9.232 -11.156 14.615 443 1HB LEU 57 2HB LEU 57 -10.466 -8.384 14.472 444 2HB LEU 57 1HB LEU 57 -9.098 -8.799 15.504 445 HG LEU 57 HG LEU 57 -9.109 -9.220 12.503 446 1HD1 LEU 57 2HD1 LEU 57 -9.015 -6.772 13.899 447 2HD1 LEU 57 1HD1 LEU 57 -7.347 -7.130 13.452 448 3HD1 LEU 57 3HD1 LEU 57 -8.595 -7.046 12.208 449 1HD2 LEU 57 3HD2 LEU 57 -7.543 -10.555 14.018 450 2HD2 LEU 57 2HD2 LEU 57 -6.763 -9.600 12.757 451 3HD2 LEU 57 1HD2 LEU 57 -6.780 -9.016 14.421 452 H LYS 58 HN LYS 58 -12.481 -11.362 14.747 453 HA LYS 58 HA LYS 58 -13.546 -10.546 17.129 454 1HB LYS 58 2HB LYS 58 -13.778 -12.843 15.336 455 2HB LYS 58 1HB LYS 58 -14.237 -13.246 16.990 456 1HG LYS 58 2HG LYS 58 -15.284 -10.817 15.508 457 2HG LYS 58 1HG LYS 58 -16.133 -12.362 15.568 458 1HD LYS 58 2HD LYS 58 -15.883 -12.162 18.142 459 2HD LYS 58 1HD LYS 58 -15.519 -10.465 17.832 460 1HE LYS 58 2HE LYS 58 -17.670 -10.047 16.929 461 2HE LYS 58 1HE LYS 58 -17.985 -11.772 16.662 462 1HZ LYS 58 1HZ LYS 58 -17.532 -11.884 19.218 463 2HZ LYS 58 3HZ LYS 58 -17.970 -10.246 19.180 464 3HZ LYS 58 2HZ LYS 58 -19.068 -11.429 18.649 465 HA PRO 59 HA PRO 59 -11.381 -14.265 19.451 466 1HB PRO 59 2HB PRO 59 -8.911 -14.671 18.021 467 2HB PRO 59 1HB PRO 59 -10.211 -15.833 18.304 468 1HG PRO 59 2HG PRO 59 -9.530 -14.465 15.847 469 2HG PRO 59 1HG PRO 59 -10.759 -15.706 16.106 470 1HD PRO 59 2HD PRO 59 -11.196 -12.938 15.590 471 2HD PRO 59 1HD PRO 59 -12.424 -14.144 16.033 472 H LEU 60 HN LEU 60 -9.262 -11.993 17.634 473 HA LEU 60 HA LEU 60 -7.372 -11.417 19.622 474 1HB LEU 60 2HB LEU 60 -7.975 -10.559 17.117 475 2HB LEU 60 1HB LEU 60 -8.488 -9.153 18.051 476 HG LEU 60 HG LEU 60 -6.090 -9.741 19.234 477 1HD1 LEU 60 2HD1 LEU 60 -6.118 -11.229 16.835 478 2HD1 LEU 60 1HD1 LEU 60 -5.083 -9.835 16.525 479 3HD1 LEU 60 3HD1 LEU 60 -4.729 -10.915 17.873 480 1HD2 LEU 60 1HD2 LEU 60 -7.219 -7.651 17.854 481 2HD2 LEU 60 3HD2 LEU 60 -5.589 -7.639 18.528 482 3HD2 LEU 60 2HD2 LEU 60 -5.840 -8.052 16.832 483 H CYS 61 HN CYS 61 -10.606 -9.962 19.146 484 HA CYS 61 HA CYS 61 -10.431 -8.102 21.333 485 1HB CYS 61 2HB CYS 61 -12.790 -9.451 19.978 486 2HB CYS 61 1HB CYS 61 -12.894 -8.014 20.993 487 H LYS 62 HN LYS 62 -11.266 -11.514 21.143 488 HA LYS 62 HA LYS 62 -12.471 -11.605 23.816 489 1HB LYS 62 2HB LYS 62 -11.575 -13.703 21.816 490 2HB LYS 62 1HB LYS 62 -12.489 -14.056 23.283 491 1HG LYS 62 2HG LYS 62 -14.271 -12.482 22.485 492 2HG LYS 62 1HG LYS 62 -13.378 -12.301 20.974 493 1HD LYS 62 2HD LYS 62 -13.520 -14.790 20.667 494 2HD LYS 62 1HD LYS 62 -14.556 -14.862 22.092 495 1HE LYS 62 2HE LYS 62 -16.313 -13.706 21.024 496 2HE LYS 62 1HE LYS 62 -15.233 -13.017 19.796 497 1HZ LYS 62 1HZ LYS 62 -15.346 -15.932 20.032 498 2HZ LYS 62 3HZ LYS 62 -16.686 -15.169 19.325 499 3HZ LYS 62 2HZ LYS 62 -15.140 -14.966 18.649 500 H GLU 63 HN GLU 63 -9.340 -11.142 22.917 501 HA GLU 63 HA GLU 63 -8.314 -12.722 25.253 502 1HB GLU 63 2HB GLU 63 -6.203 -12.896 23.847 503 2HB GLU 63 1HB GLU 63 -7.592 -13.772 23.205 504 1HG GLU 63 2HG GLU 63 -8.082 -11.937 21.667 505 2HG GLU 63 1HG GLU 63 -6.774 -10.977 22.356 506 HA PRO 64 HA PRO 64 -6.907 -8.843 26.802 507 1HB PRO 64 2HB PRO 64 -4.609 -10.073 28.020 508 2HB PRO 64 1HB PRO 64 -6.125 -9.598 28.789 509 1HG PRO 64 2HG PRO 64 -5.190 -12.253 28.233 510 2HG PRO 64 1HG PRO 64 -6.716 -11.778 28.982 511 1HD PRO 64 2HD PRO 64 -6.294 -12.853 26.329 512 2HD PRO 64 1HD PRO 64 -7.836 -12.404 27.097 513 H ASN 65 HN ASN 65 -5.085 -10.852 24.684 514 HA ASN 65 HA ASN 65 -2.732 -9.124 24.478 515 1HB ASN 65 2HB ASN 65 -3.846 -11.390 22.794 516 2HB ASN 65 1HB ASN 65 -2.246 -10.682 22.577 517 1HD2 ASN 65 1HD2 ASN 65 -2.579 -13.449 23.288 518 2HD2 ASN 65 2HD2 ASN 65 -1.982 -13.667 24.862 519 H ALA 66 HN ALA 66 -5.912 -9.185 23.101 520 HA ALA 66 HA ALA 66 -5.657 -8.100 20.554 521 1HB ALA 66 1HB ALA 66 -7.614 -8.379 22.569 522 2HB ALA 66 2HB ALA 66 -7.889 -7.946 20.882 523 3HB ALA 66 3HB ALA 66 -7.662 -6.683 22.092 524 H GLN 67 HN GLN 67 -5.360 -6.385 23.664 525 HA GLN 67 HA GLN 67 -5.192 -3.727 22.694 526 1HB GLN 67 2HB GLN 67 -5.383 -4.549 25.066 527 2HB GLN 67 1HB GLN 67 -3.678 -4.993 24.998 528 1HG GLN 67 2HG GLN 67 -3.077 -2.655 24.516 529 2HG GLN 67 1HG GLN 67 -4.782 -2.203 24.549 530 1HE2 GLN 67 1HE2 GLN 67 -3.201 -0.883 26.374 531 2HE2 GLN 67 2HE2 GLN 67 -3.451 -1.485 27.941 532 H GLU 68 HN GLU 68 -2.594 -6.152 23.163 533 HA GLU 68 HA GLU 68 -0.528 -4.354 22.126 534 1HB GLU 68 2HB GLU 68 -0.189 -6.116 23.864 535 2HB GLU 68 1HB GLU 68 -0.544 -7.345 22.651 536 1HG GLU 68 2HG GLU 68 1.356 -6.475 21.279 537 2HG GLU 68 1HG GLU 68 1.741 -5.350 22.582 538 H ILE 69 HN ILE 69 -2.386 -7.140 20.912 539 HA ILE 69 HA ILE 69 -1.007 -7.445 18.418 540 HB ILE 69 HB ILE 69 -3.882 -8.000 19.220 541 1HG1 ILE 69 2HG1 ILE 69 -1.441 -9.802 19.240 542 2HG1 ILE 69 1HG1 ILE 69 -2.155 -9.059 20.673 543 1HG2 ILE 69 3HG2 ILE 69 -2.275 -8.557 16.786 544 2HG2 ILE 69 2HG2 ILE 69 -3.241 -9.900 17.398 545 3HG2 ILE 69 1HG2 ILE 69 -4.020 -8.378 16.966 546 1HD1 ILE 69 3HD1 ILE 69 -4.359 -10.211 19.544 547 2HD1 ILE 69 2HD1 ILE 69 -3.106 -11.355 19.063 548 3HD1 ILE 69 1HD1 ILE 69 -3.362 -10.995 20.770 549 H LEU 70 HN LEU 70 -3.991 -5.649 19.251 550 HA LEU 70 HA LEU 70 -4.715 -4.659 16.746 551 1HB LEU 70 2HB LEU 70 -5.962 -4.323 18.835 552 2HB LEU 70 1HB LEU 70 -4.687 -3.269 19.446 553 HG LEU 70 HG LEU 70 -6.845 -2.252 18.275 554 1HD1 LEU 70 1HD1 LEU 70 -4.377 -1.305 18.957 555 2HD1 LEU 70 3HD1 LEU 70 -4.391 -0.978 17.225 556 3HD1 LEU 70 2HD1 LEU 70 -5.653 -0.308 18.259 557 1HD2 LEU 70 2HD2 LEU 70 -6.335 -3.685 16.204 558 2HD2 LEU 70 1HD2 LEU 70 -6.657 -1.975 15.918 559 3HD2 LEU 70 3HD2 LEU 70 -4.999 -2.574 15.903 560 H GLN 71 HN GLN 71 -2.553 -2.947 19.060 561 HA GLN 71 HA GLN 71 -1.769 -0.810 17.436 562 1HB GLN 71 2HB GLN 71 -1.199 -1.255 19.838 563 2HB GLN 71 1HB GLN 71 -0.025 -2.456 19.298 564 1HG GLN 71 2HG GLN 71 1.099 -0.657 17.950 565 2HG GLN 71 1HG GLN 71 -0.003 0.513 18.676 566 1HE2 GLN 71 1HE2 GLN 71 1.104 1.609 20.304 567 2HE2 GLN 71 2HE2 GLN 71 2.146 0.885 21.431 568 H ARG 72 HN ARG 72 -0.103 -3.985 17.686 569 HA ARG 72 HA ARG 72 1.861 -3.564 15.700 570 1HB ARG 72 2HB ARG 72 0.316 -6.048 16.517 571 2HB ARG 72 1HB ARG 72 1.804 -6.073 15.572 572 1HG ARG 72 2HG ARG 72 2.941 -4.835 17.432 573 2HG ARG 72 1HG ARG 72 1.462 -4.983 18.382 574 1HD ARG 72 2HD ARG 72 1.628 -7.494 18.105 575 2HD ARG 72 1HD ARG 72 3.223 -7.243 17.371 576 HE ARG 72 HE ARG 72 2.672 -6.012 20.030 577 1HH1 ARG 72 1HH1 ARG 72 3.151 -9.065 19.923 578 2HH1 ARG 72 2HH1 ARG 72 4.846 -9.127 20.278 579 1HH2 ARG 72 1HH2 ARG 72 5.364 -5.751 19.686 580 2HH2 ARG 72 2HH2 ARG 72 6.097 -7.252 20.144 581 H LEU 73 HN LEU 73 -1.397 -5.023 15.310 582 HA LEU 73 HA LEU 73 -1.366 -5.506 12.546 583 1HB LEU 73 2HB LEU 73 -3.566 -4.464 14.363 584 2HB LEU 73 1HB LEU 73 -3.846 -5.157 12.765 585 HG LEU 73 HG LEU 73 -2.450 -6.602 15.038 586 1HD1 LEU 73 2HD1 LEU 73 -5.283 -6.231 14.366 587 2HD1 LEU 73 1HD1 LEU 73 -4.812 -7.926 14.486 588 3HD1 LEU 73 3HD1 LEU 73 -4.552 -6.841 15.851 589 1HD2 LEU 73 2HD2 LEU 73 -2.709 -7.082 12.199 590 2HD2 LEU 73 1HD2 LEU 73 -1.814 -8.013 13.401 591 3HD2 LEU 73 3HD2 LEU 73 -3.518 -8.362 13.104 592 H GLU 74 HN GLU 74 -2.368 -2.494 14.212 593 HA GLU 74 HA GLU 74 -2.969 -0.916 11.962 594 1HB GLU 74 2HB GLU 74 -1.631 -0.179 14.585 595 2HB GLU 74 1HB GLU 74 -2.437 0.961 13.508 596 1HG GLU 74 2HG GLU 74 -3.712 -1.386 14.944 597 2HG GLU 74 1HG GLU 74 -3.989 0.324 15.270 598 H GLU 75 HN GLU 75 0.199 -1.143 13.662 599 HA GLU 75 HA GLU 75 1.710 0.542 12.007 600 1HB GLU 75 2HB GLU 75 2.382 -0.555 14.150 601 2HB GLU 75 1HB GLU 75 2.537 -2.084 13.286 602 1HG GLU 75 2HG GLU 75 4.216 -1.017 11.779 603 2HG GLU 75 1HG GLU 75 4.111 0.453 12.749 604 H ILE 76 HN ILE 76 1.400 -3.025 11.663 605 HA ILE 76 HA ILE 76 2.824 -3.265 9.222 606 HB ILE 76 HB ILE 76 0.423 -4.816 10.254 607 1HG1 ILE 76 2HG1 ILE 76 2.115 -4.753 11.964 608 2HG1 ILE 76 1HG1 ILE 76 2.253 -6.321 11.168 609 1HG2 ILE 76 2HG2 ILE 76 2.537 -5.374 8.174 610 2HG2 ILE 76 1HG2 ILE 76 1.699 -6.689 8.997 611 3HG2 ILE 76 3HG2 ILE 76 0.786 -5.531 8.029 612 1HD1 ILE 76 3HD1 ILE 76 4.012 -5.242 9.657 613 2HD1 ILE 76 2HD1 ILE 76 4.000 -3.882 10.781 614 3HD1 ILE 76 1HD1 ILE 76 4.484 -5.483 11.339 615 H ALA 77 HN ALA 77 -0.530 -2.380 9.881 616 HA ALA 77 HA ALA 77 -1.592 -2.530 7.242 617 1HB ALA 77 3HB ALA 77 -2.250 -1.458 9.846 618 2HB ALA 77 1HB ALA 77 -3.343 -1.951 8.553 619 3HB ALA 77 2HB ALA 77 -2.711 -0.305 8.593 620 H GLU 78 HN GLU 78 0.382 -0.077 8.853 621 HA GLU 78 HA GLU 78 0.078 2.066 7.007 622 1HB GLU 78 2HB GLU 78 2.388 1.120 8.730 623 2HB GLU 78 1HB GLU 78 2.357 2.686 7.919 624 1HG GLU 78 2HG GLU 78 0.217 3.205 9.104 625 2HG GLU 78 1HG GLU 78 0.374 1.685 9.984 626 H ASP 79 HN ASP 79 2.317 -0.718 6.985 627 HA ASP 79 HA ASP 79 2.689 -0.329 4.060 628 1HB ASP 79 2HB ASP 79 4.475 0.630 6.011 629 2HB ASP 79 1HB ASP 79 5.218 -0.847 5.397 630 HA PRO 80 HA PRO 80 2.607 -4.717 3.957 631 1HB PRO 80 2HB PRO 80 4.748 -4.901 2.047 632 2HB PRO 80 1HB PRO 80 3.011 -4.996 1.749 633 1HG PRO 80 2HG PRO 80 4.806 -2.847 1.087 634 2HG PRO 80 1HG PRO 80 3.075 -2.960 0.762 635 1HD PRO 80 2HD PRO 80 4.398 -1.270 2.682 636 2HD PRO 80 1HD PRO 80 2.650 -1.415 2.384 637 H GLY 81 HN GLY 81 6.021 -3.604 3.612 638 1HA GLY 81 1HA GLY 81 6.741 -4.938 6.119 639 2HA GLY 81 2HA GLY 81 7.842 -4.057 5.057 640 H THR 82 HN THR 82 7.808 -6.901 6.292 641 HA THR 82 HA THR 82 8.986 -8.218 3.951 642 HB THR 82 HB THR 82 9.585 -9.905 5.608 643 HG1 THR 82 1HG THR 82 8.718 -9.517 7.789 644 1HG2 THR 82 2HG2 THR 82 10.190 -7.156 5.823 645 2HG2 THR 82 1HG2 THR 82 9.926 -7.730 7.471 646 3HG2 THR 82 3HG2 THR 82 11.132 -8.510 6.447 647 H CYS 83 HN CYS 83 5.922 -8.171 5.579 648 HA CYS 83 HA CYS 83 4.865 -10.725 5.004 649 1HB CYS 83 2HB CYS 83 3.889 -8.798 6.344 650 2HB CYS 83 1HB CYS 83 3.416 -8.069 4.808 651 H GLU 84 HN GLU 84 4.624 -7.769 2.986 652 HA GLU 84 HA GLU 84 3.349 -9.003 0.759 653 1HB GLU 84 2HB GLU 84 3.490 -6.585 1.221 654 2HB GLU 84 1HB GLU 84 5.225 -6.627 0.913 655 1HG GLU 84 2HG GLU 84 4.735 -7.472 -1.398 656 2HG GLU 84 1HG GLU 84 3.017 -7.251 -1.071 657 H ILE 85 HN ILE 85 6.770 -8.911 1.685 658 HA ILE 85 HA ILE 85 7.538 -9.985 -0.982 659 HB ILE 85 HB ILE 85 9.766 -9.406 -0.295 660 1HG1 ILE 85 2HG1 ILE 85 8.570 -9.244 2.480 661 2HG1 ILE 85 1HG1 ILE 85 9.817 -10.356 1.921 662 1HG2 ILE 85 2HG2 ILE 85 7.926 -7.547 -0.633 663 2HG2 ILE 85 1HG2 ILE 85 8.181 -7.264 1.089 664 3HG2 ILE 85 3HG2 ILE 85 9.527 -7.100 -0.041 665 1HD1 ILE 85 2HD1 ILE 85 11.113 -8.141 1.328 666 2HD1 ILE 85 1HD1 ILE 85 10.017 -7.417 2.506 667 3HD1 ILE 85 3HD1 ILE 85 11.097 -8.723 2.992 668 H CYS 86 HN CYS 86 6.156 -11.390 1.510 669 HA CYS 86 HA CYS 86 6.242 -13.538 2.496 670 1HB CYS 86 2HB CYS 86 6.843 -13.591 -0.290 671 2HB CYS 86 1HB CYS 86 7.873 -14.790 0.492 672 H ALA 87 HN ALA 87 8.674 -11.583 2.796 673 HA ALA 87 HA ALA 87 11.029 -13.231 3.060 674 1HB ALA 87 1HB ALA 87 10.080 -10.520 3.912 675 2HB ALA 87 3HB ALA 87 11.543 -11.161 4.661 676 3HB ALA 87 2HB ALA 87 11.467 -10.953 2.912 677 H TYR 88 HN TYR 88 8.173 -13.001 4.915 678 HA TYR 88 HA TYR 88 9.398 -14.652 7.064 679 1HB TYR 88 2HB TYR 88 9.531 -12.184 7.618 680 2HB TYR 88 1HB TYR 88 7.768 -12.148 7.586 681 HD1 TYR 88 HD1 TYR 88 10.587 -14.103 9.114 682 HD2 TYR 88 HD2 TYR 88 6.603 -12.560 9.565 683 HE1 TYR 88 HE1 TYR 88 10.529 -14.934 11.450 684 HE2 TYR 88 HE2 TYR 88 6.546 -13.391 11.901 685 HH TYR 88 HH TYR 88 9.069 -15.449 13.181 686 H ALA 89 HN ALA 89 7.503 -15.329 8.626 687 HA ALA 89 HA ALA 89 5.398 -16.513 6.992 688 1HB ALA 89 2HB ALA 89 6.665 -17.334 9.142 689 2HB ALA 89 1HB ALA 89 5.437 -16.402 9.999 690 3HB ALA 89 3HB ALA 89 4.958 -17.734 8.948 691 H ALA 90 HN ALA 90 5.758 -13.429 8.120 692 HA ALA 90 HA ALA 90 3.329 -12.735 9.398 693 1HB ALA 90 2HB ALA 90 5.497 -11.464 7.866 694 2HB ALA 90 3HB ALA 90 4.716 -10.931 9.354 695 3HB ALA 90 1HB ALA 90 3.972 -10.582 7.793 696 H CYS 91 HN CYS 91 4.076 -13.043 5.924 697 HA CYS 91 HA CYS 91 1.199 -12.538 5.292 698 1HB CYS 91 2HB CYS 91 3.752 -11.863 4.147 699 2HB CYS 91 1HB CYS 91 2.813 -12.777 2.970 700 H THR 92 HN THR 92 -0.048 -14.272 4.721 701 HA THR 92 HA THR 92 1.342 -16.835 4.024 702 HB THR 92 HB THR 92 -0.629 -17.896 4.966 703 HG1 THR 92 1HG THR 92 -1.783 -15.456 5.633 704 1HG2 THR 92 3HG2 THR 92 1.115 -16.277 6.402 705 2HG2 THR 92 2HG2 THR 92 -0.475 -15.812 7.003 706 3HG2 THR 92 1HG2 THR 92 0.039 -17.497 7.084 707 H GLY 93 HN GLY 93 0.385 -18.110 2.280 708 1HA GLY 93 1HA GLY 93 -1.622 -16.747 0.582 709 2HA GLY 93 2HA GLY 93 -1.083 -18.416 0.402 710 H CYS 94 HN CYS 94 1.384 -16.046 0.873 711 HA CYS 94 HA CYS 94 2.884 -15.011 -0.657 712 1HB CYS 94 2HB CYS 94 2.677 -17.917 -0.950 713 2HB CYS 94 1HB CYS 94 3.322 -17.140 -2.397 No H/Q in entry = 713 Start of MODEL 10 1 H1 VAL 1 3H VAL 1 -1.550 -13.575 1.480 2 H2 VAL 1 2H VAL 1 -1.593 -12.922 -0.088 3 H3 VAL 1 1H VAL 1 -0.215 -13.756 0.448 4 HA VAL 1 HA VAL 1 0.551 -12.017 1.699 5 HB VAL 1 HB VAL 1 -1.241 -10.701 -0.368 6 1HG1 VAL 1 2HG1 VAL 1 0.526 -9.595 1.484 7 2HG1 VAL 1 1HG1 VAL 1 1.472 -9.686 -0.002 8 3HG1 VAL 1 3HG1 VAL 1 -0.060 -8.812 0.016 9 1HG2 VAL 1 1HG2 VAL 1 1.367 -12.203 -0.599 10 2HG2 VAL 1 3HG2 VAL 1 -0.104 -12.408 -1.550 11 3HG2 VAL 1 2HG2 VAL 1 0.906 -10.981 -1.783 12 H THR 2 HN THR 2 -1.306 -12.798 3.443 13 HA THR 2 HA THR 2 -2.917 -10.338 4.050 14 HB THR 2 HB THR 2 -3.520 -13.253 4.647 15 HG1 THR 2 1HG THR 2 -4.962 -13.085 2.976 16 1HG2 THR 2 3HG2 THR 2 -5.047 -10.682 5.098 17 2HG2 THR 2 2HG2 THR 2 -5.817 -12.270 5.123 18 3HG2 THR 2 1HG2 THR 2 -4.566 -11.878 6.302 19 H VAL 3 HN VAL 3 -2.948 -9.690 6.251 20 HA VAL 3 HA VAL 3 -0.637 -10.512 7.854 21 HB VAL 3 HB VAL 3 -2.979 -8.664 8.432 22 1HG1 VAL 3 2HG1 VAL 3 -0.218 -8.885 9.672 23 2HG1 VAL 3 1HG1 VAL 3 -1.403 -7.634 10.049 24 3HG1 VAL 3 3HG1 VAL 3 -1.739 -9.318 10.452 25 1HG2 VAL 3 3HG2 VAL 3 -0.280 -8.212 7.136 26 2HG2 VAL 3 2HG2 VAL 3 -1.871 -7.888 6.448 27 3HG2 VAL 3 1HG2 VAL 3 -1.267 -6.898 7.777 28 H GLN 4 HN GLN 4 -0.812 -12.466 8.915 29 HA GLN 4 HA GLN 4 -3.445 -13.166 10.158 30 1HB GLN 4 2HB GLN 4 -2.574 -14.711 8.469 31 2HB GLN 4 1HB GLN 4 -1.037 -14.820 9.330 32 1HG GLN 4 2HG GLN 4 -2.257 -15.743 11.303 33 2HG GLN 4 1HG GLN 4 -3.745 -15.726 10.357 34 1HE2 GLN 4 1HE2 GLN 4 -4.125 -17.516 9.005 35 2HE2 GLN 4 2HE2 GLN 4 -2.982 -18.730 8.684 36 H ASP 5 HN ASP 5 -3.519 -12.882 12.338 37 HA ASP 5 HA ASP 5 -0.987 -12.734 13.899 38 1HB ASP 5 2HB ASP 5 -3.898 -12.077 14.446 39 2HB ASP 5 1HB ASP 5 -2.628 -11.918 15.660 40 H GLY 6 HN GLY 6 -2.920 -15.148 12.889 41 1HA GLY 6 1HA GLY 6 -3.745 -16.597 15.167 42 2HA GLY 6 2HA GLY 6 -2.060 -17.027 14.870 43 H ASN 7 HN ASN 7 -4.762 -18.478 14.472 44 HA ASN 7 HA ASN 7 -3.989 -19.832 11.994 45 1HB ASN 7 2HB ASN 7 -6.361 -20.101 13.868 46 2HB ASN 7 1HB ASN 7 -5.935 -21.258 12.607 47 1HD2 ASN 7 1HD2 ASN 7 -2.974 -20.787 13.154 48 2HD2 ASN 7 2HD2 ASN 7 -2.657 -21.648 14.581 49 H PHE 8 HN PHE 8 -5.562 -16.970 12.467 50 HA PHE 8 HA PHE 8 -7.366 -17.398 10.105 51 1HB PHE 8 2HB PHE 8 -7.610 -15.503 12.463 52 2HB PHE 8 1HB PHE 8 -8.781 -15.664 11.155 53 HD1 PHE 8 HD1 PHE 8 -10.188 -17.657 10.957 54 HD2 PHE 8 HD2 PHE 8 -7.341 -17.252 14.148 55 HE1 PHE 8 HE1 PHE 8 -11.261 -19.546 12.155 56 HE2 PHE 8 HE2 PHE 8 -8.414 -19.140 15.346 57 HZ PHE 8 HZ PHE 8 -10.374 -20.286 14.349 58 H SER 9 HN SER 9 -6.903 -16.120 8.350 59 HA SER 9 HA SER 9 -4.665 -14.236 8.455 60 1HB SER 9 2HB SER 9 -6.655 -15.014 6.298 61 2HB SER 9 1HB SER 9 -5.192 -14.069 6.022 62 HG SER 9 HG SER 9 -4.938 -16.485 7.379 63 H PHE 10 HN PHE 10 -4.839 -12.029 8.690 64 HA PHE 10 HA PHE 10 -7.593 -10.838 8.623 65 1HB PHE 10 2HB PHE 10 -5.105 -10.064 10.180 66 2HB PHE 10 1HB PHE 10 -6.686 -9.294 10.324 67 HD1 PHE 10 HD1 PHE 10 -8.454 -11.694 10.107 68 HD2 PHE 10 HD2 PHE 10 -4.818 -11.080 12.311 69 HE1 PHE 10 HE1 PHE 10 -9.147 -13.431 11.734 70 HE2 PHE 10 HE2 PHE 10 -5.513 -12.818 13.939 71 HZ PHE 10 HZ PHE 10 -7.677 -13.993 13.651 72 H SER 11 HN SER 11 -7.908 -9.272 7.089 73 HA SER 11 HA SER 11 -5.836 -8.505 5.234 74 1HB SER 11 2HB SER 11 -8.541 -7.256 5.820 75 2HB SER 11 1HB SER 11 -7.623 -7.098 4.322 76 HG SER 11 HG SER 11 -7.806 -9.361 4.068 77 H LEU 12 HN LEU 12 -5.131 -6.228 4.881 78 HA LEU 12 HA LEU 12 -4.398 -4.939 7.431 79 1HB LEU 12 2HB LEU 12 -3.767 -4.342 4.520 80 2HB LEU 12 1HB LEU 12 -2.982 -3.581 5.904 81 HG LEU 12 HG LEU 12 -2.493 -6.049 6.645 82 1HD1 LEU 12 1HD1 LEU 12 -3.326 -6.302 3.772 83 2HD1 LEU 12 3HD1 LEU 12 -2.046 -7.345 4.392 84 3HD1 LEU 12 2HD1 LEU 12 -3.648 -7.385 5.126 85 1HD2 LEU 12 2HD2 LEU 12 -1.114 -4.147 4.967 86 2HD2 LEU 12 1HD2 LEU 12 -0.442 -5.258 6.159 87 3HD2 LEU 12 3HD2 LEU 12 -0.676 -5.788 4.494 88 H GLU 13 HN GLU 13 -6.607 -4.439 4.764 89 HA GLU 13 HA GLU 13 -7.119 -1.648 5.047 90 1HB GLU 13 2HB GLU 13 -7.830 -3.071 3.159 91 2HB GLU 13 1HB GLU 13 -8.938 -3.935 4.225 92 1HG GLU 13 2HG GLU 13 -10.137 -1.813 4.676 93 2HG GLU 13 1HG GLU 13 -9.047 -0.973 3.574 94 H SER 14 HN SER 14 -9.273 -4.289 6.189 95 HA SER 14 HA SER 14 -10.987 -2.854 7.813 96 1HB SER 14 2HB SER 14 -9.705 -5.451 8.678 97 2HB SER 14 1HB SER 14 -11.368 -4.925 8.932 98 HG SER 14 HG SER 14 -10.743 -6.457 7.090 99 H VAL 15 HN VAL 15 -7.891 -4.278 8.972 100 HA VAL 15 HA VAL 15 -7.984 -3.104 11.569 101 HB VAL 15 HB VAL 15 -5.580 -3.692 11.570 102 1HG1 VAL 15 1HG1 VAL 15 -7.666 -5.382 11.407 103 2HG1 VAL 15 3HG1 VAL 15 -6.797 -5.874 9.951 104 3HG1 VAL 15 2HG1 VAL 15 -5.999 -5.949 11.525 105 1HG2 VAL 15 3HG2 VAL 15 -6.050 -4.013 8.593 106 2HG2 VAL 15 2HG2 VAL 15 -4.921 -2.908 9.377 107 3HG2 VAL 15 1HG2 VAL 15 -4.636 -4.647 9.434 108 H LYS 16 HN LYS 16 -6.313 -1.981 8.599 109 HA LYS 16 HA LYS 16 -5.204 0.398 9.700 110 1HB LYS 16 2HB LYS 16 -4.708 -0.687 7.489 111 2HB LYS 16 1HB LYS 16 -6.270 -0.115 6.903 112 1HG LYS 16 2HG LYS 16 -5.517 2.231 7.532 113 2HG LYS 16 1HG LYS 16 -3.908 1.556 7.794 114 1HD LYS 16 2HD LYS 16 -5.442 1.200 5.209 115 2HD LYS 16 1HD LYS 16 -4.307 2.524 5.477 116 1HE LYS 16 2HE LYS 16 -3.159 -0.052 6.247 117 2HE LYS 16 1HE LYS 16 -3.633 -0.012 4.537 118 1HZ LYS 16 3HZ LYS 16 -2.404 2.404 5.601 119 2HZ LYS 16 2HZ LYS 16 -1.370 1.065 5.445 120 3HZ LYS 16 1HZ LYS 16 -2.199 1.664 4.088 121 H LYS 17 HN LYS 17 -8.222 0.005 7.794 122 HA LYS 17 HA LYS 17 -9.156 2.683 8.519 123 1HB LYS 17 2HB LYS 17 -10.532 0.334 7.172 124 2HB LYS 17 1HB LYS 17 -11.071 2.013 7.132 125 1HG LYS 17 2HG LYS 17 -8.393 1.053 6.079 126 2HG LYS 17 1HG LYS 17 -9.815 1.331 5.072 127 1HD LYS 17 2HD LYS 17 -9.874 3.694 5.953 128 2HD LYS 17 1HD LYS 17 -8.329 3.378 6.742 129 1HE LYS 17 2HE LYS 17 -7.660 4.324 4.684 130 2HE LYS 17 1HE LYS 17 -7.587 2.586 4.331 131 1HZ LYS 17 3HZ LYS 17 -10.163 3.063 3.900 132 2HZ LYS 17 2HZ LYS 17 -9.536 4.582 3.472 133 3HZ LYS 17 1HZ LYS 17 -8.997 3.183 2.674 134 H LEU 18 HN LEU 18 -8.900 -0.009 10.372 135 HA LEU 18 HA LEU 18 -11.587 -0.262 11.445 136 1HB LEU 18 2HB LEU 18 -10.544 -2.121 12.189 137 2HB LEU 18 1HB LEU 18 -8.988 -1.476 11.680 138 HG LEU 18 HG LEU 18 -9.012 -0.119 13.863 139 1HD1 LEU 18 3HD1 LEU 18 -11.596 -1.302 13.994 140 2HD1 LEU 18 2HD1 LEU 18 -10.634 -2.022 15.284 141 3HD1 LEU 18 1HD1 LEU 18 -10.821 -0.270 15.197 142 1HD2 LEU 18 2HD2 LEU 18 -8.689 -3.080 13.582 143 2HD2 LEU 18 1HD2 LEU 18 -7.478 -1.850 13.945 144 3HD2 LEU 18 3HD2 LEU 18 -8.594 -2.387 15.201 145 H LYS 19 HN LYS 19 -8.769 1.732 12.192 146 HA LYS 19 HA LYS 19 -9.444 2.637 14.790 147 1HB LYS 19 2HB LYS 19 -7.325 3.102 13.645 148 2HB LYS 19 1HB LYS 19 -8.168 4.066 12.433 149 1HG LYS 19 2HG LYS 19 -7.356 5.688 13.936 150 2HG LYS 19 1HG LYS 19 -9.024 5.455 14.461 151 1HD LYS 19 2HD LYS 19 -8.186 3.770 16.133 152 2HD LYS 19 1HD LYS 19 -6.541 4.213 15.681 153 1HE LYS 19 2HE LYS 19 -8.647 5.990 16.955 154 2HE LYS 19 1HE LYS 19 -7.051 5.558 17.600 155 1HZ LYS 19 1HZ LYS 19 -6.306 6.509 15.276 156 2HZ LYS 19 3HZ LYS 19 -7.747 7.391 15.417 157 3HZ LYS 19 2HZ LYS 19 -6.542 7.538 16.607 158 H ASP 20 HN ASP 20 -10.565 3.750 11.603 159 HA ASP 20 HA ASP 20 -12.528 5.552 12.979 160 1HB ASP 20 2HB ASP 20 -12.576 6.621 10.669 161 2HB ASP 20 1HB ASP 20 -11.022 6.721 11.497 162 H LEU 21 HN LEU 21 -14.255 4.074 13.292 163 HA LEU 21 HA LEU 21 -15.104 2.259 11.159 164 1HB LEU 21 2HB LEU 21 -15.241 2.169 13.814 165 2HB LEU 21 1HB LEU 21 -16.784 2.976 13.533 166 HG LEU 21 HG LEU 21 -17.204 0.598 13.544 167 1HD1 LEU 21 1HD1 LEU 21 -18.262 2.053 11.738 168 2HD1 LEU 21 3HD1 LEU 21 -17.045 1.416 10.633 169 3HD1 LEU 21 2HD1 LEU 21 -18.211 0.328 11.383 170 1HD2 LEU 21 3HD2 LEU 21 -14.594 0.501 12.397 171 2HD2 LEU 21 2HD2 LEU 21 -15.597 -0.851 12.922 172 3HD2 LEU 21 1HD2 LEU 21 -15.702 -0.270 11.260 173 H GLN 22 HN GLN 22 -16.148 3.110 9.401 174 HA GLN 22 HA GLN 22 -18.410 4.993 9.893 175 1HB GLN 22 2HB GLN 22 -16.115 5.336 7.934 176 2HB GLN 22 1HB GLN 22 -17.547 6.365 7.980 177 1HG GLN 22 2HG GLN 22 -17.023 6.979 10.319 178 2HG GLN 22 1HG GLN 22 -15.584 5.961 10.259 179 1HE2 GLN 22 1HE2 GLN 22 -15.253 8.706 10.777 180 2HE2 GLN 22 2HE2 GLN 22 -14.545 9.457 9.430 181 H GLU 23 HN GLU 23 -20.175 4.434 8.657 182 HA GLU 23 HA GLU 23 -21.486 3.280 7.071 183 1HB GLU 23 2HB GLU 23 -18.802 3.492 5.679 184 2HB GLU 23 1HB GLU 23 -20.256 2.895 4.879 185 1HG GLU 23 2HG GLU 23 -21.236 5.176 5.950 186 2HG GLU 23 1HG GLU 23 -19.555 5.657 5.726 187 HA PRO 24 HA PRO 24 -20.750 -0.923 8.277 188 1HB PRO 24 2HB PRO 24 -22.613 -1.831 6.282 189 2HB PRO 24 1HB PRO 24 -22.879 -1.653 8.019 190 1HG PRO 24 2HG PRO 24 -23.937 -0.031 5.898 191 2HG PRO 24 1HG PRO 24 -24.196 0.151 7.634 192 1HD PRO 24 2HD PRO 24 -22.611 1.824 5.891 193 2HD PRO 24 1HD PRO 24 -22.880 2.013 7.640 194 H GLN 25 HN GLN 25 -19.740 -2.832 7.346 195 HA GLN 25 HA GLN 25 -18.277 -3.936 5.853 196 1HB GLN 25 2HB GLN 25 -20.056 -2.420 3.914 197 2HB GLN 25 1HB GLN 25 -19.024 -3.785 3.486 198 1HG GLN 25 2HG GLN 25 -20.266 -5.238 5.016 199 2HG GLN 25 1HG GLN 25 -21.258 -3.877 5.539 200 1HE2 GLN 25 1HE2 GLN 25 -22.461 -6.180 4.351 201 2HE2 GLN 25 2HE2 GLN 25 -23.088 -5.742 2.836 202 H GLU 26 HN GLU 26 -17.242 -3.020 3.371 203 HA GLU 26 HA GLU 26 -15.562 -0.728 4.306 204 1HB GLU 26 2HB GLU 26 -15.108 -2.834 2.168 205 2HB GLU 26 1HB GLU 26 -13.919 -1.659 2.730 206 1HG GLU 26 2HG GLU 26 -13.872 -2.640 4.927 207 2HG GLU 26 1HG GLU 26 -15.263 -3.661 4.564 208 HA PRO 27 HA PRO 27 -18.008 1.507 1.227 209 1HB PRO 27 2HB PRO 27 -16.387 3.799 1.860 210 2HB PRO 27 1HB PRO 27 -18.061 3.487 2.328 211 1HG PRO 27 2HG PRO 27 -15.722 3.433 3.996 212 2HG PRO 27 1HG PRO 27 -17.395 3.119 4.463 213 1HD PRO 27 2HD PRO 27 -15.237 1.217 4.216 214 2HD PRO 27 1HD PRO 27 -16.922 0.901 4.689 215 H ARG 28 HN ARG 28 -14.528 1.218 1.551 216 HA ARG 28 HA ARG 28 -14.246 1.792 -1.383 217 1HB ARG 28 2HB ARG 28 -12.420 2.401 0.965 218 2HB ARG 28 1HB ARG 28 -11.952 2.615 -0.723 219 1HG ARG 28 2HG ARG 28 -13.889 4.152 -1.031 220 2HG ARG 28 1HG ARG 28 -14.263 3.987 0.684 221 1HD ARG 28 2HD ARG 28 -12.944 6.022 0.373 222 2HD ARG 28 1HD ARG 28 -11.921 4.822 1.186 223 HE ARG 28 HE ARG 28 -10.739 4.481 -0.890 224 1HH1 ARG 28 1HH1 ARG 28 -11.529 7.546 -0.800 225 2HH1 ARG 28 2HH1 ARG 28 -11.879 7.787 -2.480 226 1HH2 ARG 28 1HH2 ARG 28 -11.993 4.398 -3.212 227 2HH2 ARG 28 2HH2 ARG 28 -12.142 6.004 -3.844 228 H VAL 29 HN VAL 29 -12.898 0.344 -2.533 229 HA VAL 29 HA VAL 29 -12.006 -2.076 -0.996 230 HB VAL 29 HB VAL 29 -12.874 -1.795 -3.891 231 1HG1 VAL 29 1HG1 VAL 29 -11.548 -3.880 -2.408 232 2HG1 VAL 29 3HG1 VAL 29 -13.152 -4.432 -2.892 233 3HG1 VAL 29 2HG1 VAL 29 -12.010 -3.863 -4.110 234 1HG2 VAL 29 3HG2 VAL 29 -14.374 -2.070 -1.391 235 2HG2 VAL 29 2HG2 VAL 29 -14.955 -1.677 -3.010 236 3HG2 VAL 29 1HG2 VAL 29 -14.727 -3.361 -2.539 237 H GLY 30 HN GLY 30 -9.849 -2.617 -1.180 238 1HA GLY 30 1HA GLY 30 -7.987 -0.805 -2.396 239 2HA GLY 30 2HA GLY 30 -8.192 -2.221 -3.428 240 H LYS 31 HN LYS 31 -7.074 -4.061 -2.888 241 HA LYS 31 HA LYS 31 -6.378 -4.908 -0.260 242 1HB LYS 31 2HB LYS 31 -5.158 -5.433 -2.988 243 2HB LYS 31 1HB LYS 31 -4.776 -6.370 -1.543 244 1HG LYS 31 2HG LYS 31 -7.207 -6.909 -1.310 245 2HG LYS 31 1HG LYS 31 -7.505 -6.073 -2.834 246 1HD LYS 31 2HD LYS 31 -5.922 -7.625 -3.965 247 2HD LYS 31 1HD LYS 31 -5.707 -8.487 -2.441 248 1HE LYS 31 2HE LYS 31 -8.513 -8.082 -3.398 249 2HE LYS 31 1HE LYS 31 -7.523 -9.295 -4.232 250 1HZ LYS 31 1HZ LYS 31 -6.842 -9.975 -1.866 251 2HZ LYS 31 3HZ LYS 31 -8.221 -9.127 -1.361 252 3HZ LYS 31 2HZ LYS 31 -8.377 -10.452 -2.415 253 H LEU 32 HN LEU 32 -4.788 -2.700 -2.497 254 HA LEU 32 HA LEU 32 -2.340 -2.593 -0.827 255 1HB LEU 32 2HB LEU 32 -3.156 -1.129 -3.359 256 2HB LEU 32 1HB LEU 32 -1.529 -1.202 -2.682 257 HG LEU 32 HG LEU 32 -3.157 -3.523 -3.758 258 1HD1 LEU 32 1HD1 LEU 32 -2.036 -2.074 -5.440 259 2HD1 LEU 32 3HD1 LEU 32 -0.499 -2.338 -4.616 260 3HD1 LEU 32 2HD1 LEU 32 -1.331 -3.689 -5.386 261 1HD2 LEU 32 1HD2 LEU 32 -0.848 -3.395 -1.915 262 2HD2 LEU 32 3HD2 LEU 32 -2.016 -4.691 -2.167 263 3HD2 LEU 32 2HD2 LEU 32 -0.655 -4.504 -3.273 264 H ARG 33 HN ARG 33 -2.104 -1.066 0.745 265 HA ARG 33 HA ARG 33 -3.546 1.531 0.506 266 1HB ARG 33 2HB ARG 33 -3.734 -0.497 2.753 267 2HB ARG 33 1HB ARG 33 -4.255 1.180 2.932 268 1HG ARG 33 2HG ARG 33 -5.773 0.867 0.969 269 2HG ARG 33 1HG ARG 33 -5.311 -0.834 0.923 270 1HD ARG 33 2HD ARG 33 -6.127 -1.060 3.294 271 2HD ARG 33 1HD ARG 33 -6.728 0.606 3.194 272 HE ARG 33 HE ARG 33 -8.011 -1.672 2.007 273 1HH1 ARG 33 1HH1 ARG 33 -7.312 1.675 1.657 274 2HH1 ARG 33 2HH1 ARG 33 -8.453 1.920 0.379 275 1HH2 ARG 33 1HH2 ARG 33 -9.388 -1.416 0.218 276 2HH2 ARG 33 2HH2 ARG 33 -9.630 0.169 -0.437 277 H ASN 34 HN ASN 34 -2.510 3.217 1.795 278 HA ASN 34 HA ASN 34 0.100 2.426 3.035 279 1HB ASN 34 2HB ASN 34 -0.430 4.663 1.055 280 2HB ASN 34 1HB ASN 34 1.120 4.340 1.830 281 1HD2 ASN 34 1HD2 ASN 34 0.274 4.136 -1.108 282 2HD2 ASN 34 2HD2 ASN 34 0.706 2.558 -1.561 283 H PHE 35 HN PHE 35 -2.693 3.499 3.971 284 HA PHE 35 HA PHE 35 -1.951 6.101 5.159 285 1HB PHE 35 2HB PHE 35 -4.222 5.600 4.277 286 2HB PHE 35 1HB PHE 35 -4.391 4.321 5.480 287 HD1 PHE 35 HD1 PHE 35 -4.643 4.842 7.858 288 HD2 PHE 35 HD2 PHE 35 -4.255 7.957 4.924 289 HE1 PHE 35 HE1 PHE 35 -5.404 6.510 9.528 290 HE2 PHE 35 HE2 PHE 35 -5.016 9.624 6.595 291 HZ PHE 35 HZ PHE 35 -5.591 8.901 8.896 292 H ALA 36 HN ALA 36 -0.902 6.203 7.107 293 HA ALA 36 HA ALA 36 -0.455 3.796 8.705 294 1HB ALA 36 1HB ALA 36 0.174 6.637 9.494 295 2HB ALA 36 2HB ALA 36 1.069 5.847 8.196 296 3HB ALA 36 3HB ALA 36 1.100 5.173 9.825 297 HA PRO 37 HA PRO 37 -4.266 4.551 11.006 298 1HB PRO 37 2HB PRO 37 -3.575 2.249 12.588 299 2HB PRO 37 1HB PRO 37 -4.800 2.369 11.323 300 1HG PRO 37 2HG PRO 37 -2.317 0.961 11.214 301 2HG PRO 37 1HG PRO 37 -3.500 1.155 9.918 302 1HD PRO 37 2HD PRO 37 -0.889 2.414 10.186 303 2HD PRO 37 1HD PRO 37 -2.019 2.493 8.816 304 H ILE 38 HN ILE 38 -4.071 3.518 13.776 305 HA ILE 38 HA ILE 38 -1.981 5.336 14.921 306 HB ILE 38 HB ILE 38 -4.946 5.119 15.479 307 1HG1 ILE 38 2HG1 ILE 38 -4.627 7.673 15.300 308 2HG1 ILE 38 1HG1 ILE 38 -3.038 7.300 14.632 309 1HG2 ILE 38 1HG2 ILE 38 -2.715 6.124 17.232 310 2HG2 ILE 38 3HG2 ILE 38 -4.312 6.869 17.318 311 3HG2 ILE 38 2HG2 ILE 38 -4.119 5.152 17.673 312 1HD1 ILE 38 3HD1 ILE 38 -5.088 5.659 13.394 313 2HD1 ILE 38 2HD1 ILE 38 -5.472 7.373 13.229 314 3HD1 ILE 38 1HD1 ILE 38 -3.931 6.753 12.635 315 HA PRO 39 HA PRO 39 -1.768 1.023 16.662 316 1HB PRO 39 2HB PRO 39 1.043 1.550 16.974 317 2HB PRO 39 1HB PRO 39 0.265 0.420 15.864 318 1HG PRO 39 2HG PRO 39 1.543 2.918 15.239 319 2HG PRO 39 1HG PRO 39 0.775 1.784 14.126 320 1HD PRO 39 2HD PRO 39 -0.185 4.377 14.944 321 2HD PRO 39 1HD PRO 39 -0.969 3.223 13.840 322 H GLY 40 HN GLY 40 -1.475 0.503 18.895 323 1HA GLY 40 1HA GLY 40 -0.470 2.638 20.692 324 2HA GLY 40 2HA GLY 40 -0.768 0.963 21.155 325 H GLU 41 HN GLU 41 -3.413 1.374 19.502 326 HA GLU 41 HA GLU 41 -4.905 2.842 21.652 327 1HB GLU 41 2HB GLU 41 -5.074 2.630 18.686 328 2HB GLU 41 1HB GLU 41 -6.603 2.760 19.555 329 1HG GLU 41 2HG GLU 41 -4.252 4.662 19.799 330 2HG GLU 41 1HG GLU 41 -5.769 4.996 18.964 331 HA PRO 42 HA PRO 42 -6.200 -1.431 22.457 332 1HB PRO 42 2HB PRO 42 -7.741 -0.348 24.633 333 2HB PRO 42 1HB PRO 42 -6.239 -1.273 24.717 334 1HG PRO 42 2HG PRO 42 -6.619 1.531 25.220 335 2HG PRO 42 1HG PRO 42 -5.118 0.606 25.311 336 1HD PRO 42 2HD PRO 42 -5.878 2.550 23.320 337 2HD PRO 42 1HD PRO 42 -4.372 1.606 23.404 338 H VAL 43 HN VAL 43 -8.168 -2.455 21.928 339 HA VAL 43 HA VAL 43 -10.613 -0.788 21.609 340 HB VAL 43 HB VAL 43 -9.361 -2.461 19.405 341 1HG1 VAL 43 1HG1 VAL 43 -11.830 -2.300 19.325 342 2HG1 VAL 43 3HG1 VAL 43 -11.711 -0.543 19.394 343 3HG1 VAL 43 2HG1 VAL 43 -11.085 -1.414 17.995 344 1HG2 VAL 43 2HG2 VAL 43 -9.340 0.504 19.981 345 2HG2 VAL 43 1HG2 VAL 43 -7.972 -0.551 19.626 346 3HG2 VAL 43 3HG2 VAL 43 -9.109 -0.123 18.349 347 H VAL 44 HN VAL 44 -10.411 -2.651 23.583 348 HA VAL 44 HA VAL 44 -12.373 -4.678 22.752 349 HB VAL 44 HB VAL 44 -9.494 -5.287 23.434 350 1HG1 VAL 44 3HG1 VAL 44 -11.941 -6.853 24.035 351 2HG1 VAL 44 2HG1 VAL 44 -10.634 -7.745 23.257 352 3HG1 VAL 44 1HG1 VAL 44 -10.348 -6.920 24.790 353 1HG2 VAL 44 3HG2 VAL 44 -11.399 -5.896 21.179 354 2HG2 VAL 44 2HG2 VAL 44 -9.792 -5.172 21.101 355 3HG2 VAL 44 1HG2 VAL 44 -9.968 -6.892 21.443 356 HA PRO 45 HA PRO 45 -12.560 -3.131 27.171 357 1HB PRO 45 2HB PRO 45 -15.409 -3.066 26.775 358 2HB PRO 45 1HB PRO 45 -14.317 -1.700 27.010 359 1HG PRO 45 2HG PRO 45 -15.657 -2.496 24.595 360 2HG PRO 45 1HG PRO 45 -14.570 -1.127 24.830 361 1HD PRO 45 2HD PRO 45 -14.050 -3.571 23.385 362 2HD PRO 45 1HD PRO 45 -12.949 -2.195 23.631 363 H ILE 46 HN ILE 46 -14.628 -5.352 25.319 364 HA ILE 46 HA ILE 46 -14.269 -7.442 27.401 365 HB ILE 46 HB ILE 46 -16.627 -7.705 27.733 366 1HG1 ILE 46 2HG1 ILE 46 -17.024 -5.715 25.478 367 2HG1 ILE 46 1HG1 ILE 46 -17.246 -7.459 25.340 368 1HG2 ILE 46 1HG2 ILE 46 -15.607 -5.721 28.864 369 2HG2 ILE 46 3HG2 ILE 46 -16.141 -4.719 27.515 370 3HG2 ILE 46 2HG2 ILE 46 -17.330 -5.517 28.545 371 1HD1 ILE 46 1HD1 ILE 46 -18.684 -6.109 27.567 372 2HD1 ILE 46 3HD1 ILE 46 -19.273 -5.780 25.937 373 3HD1 ILE 46 2HD1 ILE 46 -19.207 -7.439 26.534 374 H LEU 47 HN LEU 47 -15.602 -6.434 24.290 375 HA LEU 47 HA LEU 47 -14.829 -9.085 23.139 376 1HB LEU 47 2HB LEU 47 -17.360 -8.508 23.630 377 2HB LEU 47 1HB LEU 47 -17.215 -7.512 22.185 378 HG LEU 47 HG LEU 47 -17.962 -9.638 21.405 379 1HD1 LEU 47 1HD1 LEU 47 -14.944 -9.479 21.142 380 2HD1 LEU 47 3HD1 LEU 47 -15.972 -10.534 20.171 381 3HD1 LEU 47 2HD1 LEU 47 -16.136 -8.782 20.043 382 1HD2 LEU 47 3HD2 LEU 47 -16.157 -10.617 23.553 383 2HD2 LEU 47 2HD2 LEU 47 -17.728 -11.231 23.037 384 3HD2 LEU 47 1HD2 LEU 47 -16.279 -11.631 22.115 385 H CYS 48 HN CYS 48 -16.314 -7.134 20.848 386 HA CYS 48 HA CYS 48 -13.679 -5.986 20.011 387 1HB CYS 48 2HB CYS 48 -16.088 -6.992 18.465 388 2HB CYS 48 1HB CYS 48 -14.698 -6.209 17.714 389 H SER 49 HN SER 49 -13.675 -3.793 20.325 390 HA SER 49 HA SER 49 -15.875 -2.159 20.952 391 1HB SER 49 2HB SER 49 -13.306 -1.803 21.051 392 2HB SER 49 1HB SER 49 -13.478 -1.208 19.399 393 HG SER 49 HG SER 49 -14.471 -0.157 21.796 394 H ASN 50 HN ASN 50 -14.232 -2.284 17.773 395 HA ASN 50 HA ASN 50 -16.404 -0.822 16.477 396 1HB ASN 50 2HB ASN 50 -13.772 -2.059 15.754 397 2HB ASN 50 1HB ASN 50 -14.886 -1.626 14.455 398 1HD2 ASN 50 1HD2 ASN 50 -13.259 0.087 13.858 399 2HD2 ASN 50 2HD2 ASN 50 -13.233 1.543 14.730 400 HA PRO 51 HA PRO 51 -18.699 -4.670 15.898 401 1HB PRO 51 2HB PRO 51 -20.690 -3.092 14.549 402 2HB PRO 51 1HB PRO 51 -20.765 -3.775 16.175 403 1HG PRO 51 2HG PRO 51 -20.503 -1.024 15.460 404 2HG PRO 51 1HG PRO 51 -20.479 -1.717 17.082 405 1HD PRO 51 2HD PRO 51 -18.255 -0.630 15.546 406 2HD PRO 51 1HD PRO 51 -18.269 -1.183 17.236 407 H ASN 52 HN ASN 52 -17.448 -2.394 13.640 408 HA ASN 52 HA ASN 52 -18.055 -4.238 11.353 409 1HB ASN 52 2HB ASN 52 -17.423 -1.271 11.428 410 2HB ASN 52 1HB ASN 52 -17.824 -2.194 9.979 411 1HD2 ASN 52 1HD2 ASN 52 -19.958 -3.774 10.850 412 2HD2 ASN 52 2HD2 ASN 52 -21.252 -2.788 11.336 413 H PHE 53 HN PHE 53 -15.720 -4.131 13.399 414 HA PHE 53 HA PHE 53 -13.384 -3.427 11.769 415 1HB PHE 53 2HB PHE 53 -12.212 -3.853 13.758 416 2HB PHE 53 1HB PHE 53 -13.805 -3.438 14.384 417 HD1 PHE 53 HD1 PHE 53 -15.474 -5.682 14.159 418 HD2 PHE 53 HD2 PHE 53 -11.239 -5.649 14.892 419 HE1 PHE 53 HE1 PHE 53 -15.642 -7.906 15.236 420 HE2 PHE 53 HE2 PHE 53 -11.410 -7.884 15.977 421 HZ PHE 53 HZ PHE 53 -13.614 -9.002 16.143 422 HA PRO 54 HA PRO 54 -12.487 -7.276 9.854 423 1HB PRO 54 2HB PRO 54 -10.100 -7.956 11.322 424 2HB PRO 54 1HB PRO 54 -10.219 -7.256 9.706 425 1HG PRO 54 2HG PRO 54 -9.394 -5.965 12.149 426 2HG PRO 54 1HG PRO 54 -9.462 -5.281 10.524 427 1HD PRO 54 2HD PRO 54 -11.187 -4.690 12.739 428 2HD PRO 54 1HD PRO 54 -11.319 -4.072 11.075 429 H GLU 55 HN GLU 55 -14.419 -7.983 11.213 430 HA GLU 55 HA GLU 55 -14.531 -9.168 13.669 431 1HB GLU 55 2HB GLU 55 -16.331 -8.983 11.959 432 2HB GLU 55 1HB GLU 55 -15.617 -10.351 11.097 433 1HG GLU 55 2HG GLU 55 -15.913 -11.758 13.121 434 2HG GLU 55 1HG GLU 55 -16.674 -10.394 13.942 435 H GLU 56 HN GLU 56 -12.813 -10.455 10.870 436 HA GLU 56 HA GLU 56 -12.394 -13.131 11.671 437 1HB GLU 56 2HB GLU 56 -10.481 -11.140 10.397 438 2HB GLU 56 1HB GLU 56 -10.300 -12.894 10.344 439 1HG GLU 56 2HG GLU 56 -12.508 -13.057 9.203 440 2HG GLU 56 1HG GLU 56 -12.612 -11.296 9.198 441 H LEU 57 HN LEU 57 -11.344 -10.172 13.085 442 HA LEU 57 HA LEU 57 -9.145 -11.354 14.657 443 1HB LEU 57 2HB LEU 57 -10.525 -8.648 14.668 444 2HB LEU 57 1HB LEU 57 -9.057 -9.031 15.566 445 HG LEU 57 HG LEU 57 -9.401 -9.109 12.555 446 1HD1 LEU 57 2HD1 LEU 57 -9.121 -6.868 13.805 447 2HD1 LEU 57 1HD1 LEU 57 -7.490 -7.426 14.178 448 3HD1 LEU 57 3HD1 LEU 57 -7.985 -7.206 12.500 449 1HD2 LEU 57 2HD2 LEU 57 -7.158 -9.968 14.381 450 2HD2 LEU 57 1HD2 LEU 57 -7.911 -10.877 13.071 451 3HD2 LEU 57 3HD2 LEU 57 -6.860 -9.510 12.704 452 H LYS 58 HN LYS 58 -12.410 -11.625 14.814 453 HA LYS 58 HA LYS 58 -13.439 -10.969 17.262 454 1HB LYS 58 2HB LYS 58 -13.899 -12.853 15.226 455 2HB LYS 58 1HB LYS 58 -13.868 -13.792 16.717 456 1HG LYS 58 2HG LYS 58 -15.327 -11.467 17.334 457 2HG LYS 58 1HG LYS 58 -15.910 -11.977 15.749 458 1HD LYS 58 2HD LYS 58 -16.709 -14.002 16.544 459 2HD LYS 58 1HD LYS 58 -15.541 -14.063 17.863 460 1HE LYS 58 2HE LYS 58 -16.791 -12.567 19.199 461 2HE LYS 58 1HE LYS 58 -17.703 -11.951 17.808 462 1HZ LYS 58 3HZ LYS 58 -18.326 -14.469 17.573 463 2HZ LYS 58 2HZ LYS 58 -17.974 -14.508 19.235 464 3HZ LYS 58 1HZ LYS 58 -19.186 -13.474 18.644 465 HA PRO 59 HA PRO 59 -11.224 -14.854 19.263 466 1HB PRO 59 2HB PRO 59 -8.752 -15.086 17.800 467 2HB PRO 59 1HB PRO 59 -10.027 -16.293 17.988 468 1HG PRO 59 2HG PRO 59 -9.390 -14.691 15.659 469 2HG PRO 59 1HG PRO 59 -10.574 -15.992 15.806 470 1HD PRO 59 2HD PRO 59 -11.119 -13.219 15.524 471 2HD PRO 59 1HD PRO 59 -12.299 -14.493 15.903 472 H LEU 60 HN LEU 60 -9.246 -12.282 17.695 473 HA LEU 60 HA LEU 60 -7.378 -11.963 19.827 474 1HB LEU 60 2HB LEU 60 -8.487 -10.255 17.605 475 2HB LEU 60 1HB LEU 60 -7.329 -9.578 18.750 476 HG LEU 60 HG LEU 60 -5.932 -11.722 18.223 477 1HD1 LEU 60 2HD1 LEU 60 -8.051 -11.708 16.107 478 2HD1 LEU 60 1HD1 LEU 60 -6.418 -12.198 15.656 479 3HD1 LEU 60 3HD1 LEU 60 -7.287 -13.077 16.913 480 1HD2 LEU 60 2HD2 LEU 60 -6.304 -9.506 16.186 481 2HD2 LEU 60 1HD2 LEU 60 -5.253 -9.446 17.601 482 3HD2 LEU 60 3HD2 LEU 60 -4.898 -10.566 16.285 483 H CYS 61 HN CYS 61 -10.611 -10.579 19.281 484 HA CYS 61 HA CYS 61 -10.559 -8.665 21.417 485 1HB CYS 61 2HB CYS 61 -12.795 -10.228 20.087 486 2HB CYS 61 1HB CYS 61 -13.046 -8.823 21.123 487 H LYS 62 HN LYS 62 -11.146 -12.135 21.333 488 HA LYS 62 HA LYS 62 -12.324 -12.260 24.005 489 1HB LYS 62 2HB LYS 62 -11.196 -14.307 22.073 490 2HB LYS 62 1HB LYS 62 -12.032 -14.724 23.568 491 1HG LYS 62 2HG LYS 62 -14.015 -13.428 22.766 492 2HG LYS 62 1HG LYS 62 -13.179 -13.158 21.237 493 1HD LYS 62 2HD LYS 62 -13.000 -15.637 20.952 494 2HD LYS 62 1HD LYS 62 -13.958 -15.842 22.418 495 1HE LYS 62 2HE LYS 62 -15.711 -14.323 21.249 496 2HE LYS 62 1HE LYS 62 -14.815 -14.683 19.761 497 1HZ LYS 62 1HZ LYS 62 -14.922 -17.098 20.840 498 2HZ LYS 62 3HZ LYS 62 -16.359 -16.468 21.485 499 3HZ LYS 62 2HZ LYS 62 -16.134 -16.517 19.801 500 H GLU 63 HN GLU 63 -9.127 -11.922 22.833 501 HA GLU 63 HA GLU 63 -8.016 -13.100 25.357 502 1HB GLU 63 2HB GLU 63 -5.905 -13.204 23.965 503 2HB GLU 63 1HB GLU 63 -7.225 -14.195 23.344 504 1HG GLU 63 2HG GLU 63 -7.803 -12.489 21.710 505 2HG GLU 63 1HG GLU 63 -6.613 -11.380 22.394 506 HA PRO 64 HA PRO 64 -6.967 -9.012 26.642 507 1HB PRO 64 2HB PRO 64 -4.613 -9.961 27.996 508 2HB PRO 64 1HB PRO 64 -6.184 -9.562 28.695 509 1HG PRO 64 2HG PRO 64 -5.023 -12.159 28.364 510 2HG PRO 64 1HG PRO 64 -6.613 -11.764 29.020 511 1HD PRO 64 2HD PRO 64 -5.982 -12.969 26.459 512 2HD PRO 64 1HD PRO 64 -7.587 -12.639 27.153 513 H ASN 65 HN ASN 65 -4.949 -10.997 24.693 514 HA ASN 65 HA ASN 65 -2.729 -9.100 24.431 515 1HB ASN 65 2HB ASN 65 -3.566 -11.520 22.800 516 2HB ASN 65 1HB ASN 65 -1.981 -10.748 22.758 517 1HD2 ASN 65 1HD2 ASN 65 -2.987 -13.530 23.766 518 2HD2 ASN 65 2HD2 ASN 65 -2.295 -13.658 25.311 519 H ALA 66 HN ALA 66 -5.864 -9.431 23.042 520 HA ALA 66 HA ALA 66 -5.634 -8.579 20.400 521 1HB ALA 66 2HB ALA 66 -7.590 -8.739 22.444 522 2HB ALA 66 3HB ALA 66 -7.871 -8.531 20.715 523 3HB ALA 66 1HB ALA 66 -7.720 -7.119 21.760 524 H GLN 67 HN GLN 67 -5.470 -6.576 23.342 525 HA GLN 67 HA GLN 67 -5.380 -4.020 22.085 526 1HB GLN 67 2HB GLN 67 -4.172 -5.110 24.646 527 2HB GLN 67 1HB GLN 67 -4.286 -3.391 24.267 528 1HG GLN 67 2HG GLN 67 -6.742 -3.602 24.073 529 2HG GLN 67 1HG GLN 67 -6.625 -5.318 24.459 530 1HE2 GLN 67 1HE2 GLN 67 -8.141 -3.620 26.143 531 2HE2 GLN 67 2HE2 GLN 67 -7.339 -3.447 27.628 532 H GLU 68 HN GLU 68 -2.784 -6.341 22.866 533 HA GLU 68 HA GLU 68 -0.672 -4.567 21.877 534 1HB GLU 68 2HB GLU 68 -0.787 -7.505 22.641 535 2HB GLU 68 1HB GLU 68 0.702 -6.619 22.306 536 1HG GLU 68 2HG GLU 68 0.155 -5.036 24.135 537 2HG GLU 68 1HG GLU 68 -1.310 -5.955 24.481 538 H ILE 69 HN ILE 69 -2.507 -7.355 20.662 539 HA ILE 69 HA ILE 69 -0.970 -7.743 18.249 540 HB ILE 69 HB ILE 69 -3.865 -8.358 18.936 541 1HG1 ILE 69 2HG1 ILE 69 -1.424 -10.145 19.117 542 2HG1 ILE 69 1HG1 ILE 69 -2.109 -9.286 20.497 543 1HG2 ILE 69 3HG2 ILE 69 -2.028 -9.181 16.696 544 2HG2 ILE 69 2HG2 ILE 69 -3.311 -10.266 17.231 545 3HG2 ILE 69 1HG2 ILE 69 -3.712 -8.663 16.613 546 1HD1 ILE 69 3HD1 ILE 69 -4.078 -10.804 18.905 547 2HD1 ILE 69 2HD1 ILE 69 -2.868 -11.802 19.711 548 3HD1 ILE 69 1HD1 ILE 69 -3.880 -10.709 20.654 549 H LEU 70 HN LEU 70 -3.947 -5.918 18.981 550 HA LEU 70 HA LEU 70 -4.673 -5.048 16.416 551 1HB LEU 70 2HB LEU 70 -6.034 -4.627 18.349 552 2HB LEU 70 1HB LEU 70 -4.738 -3.741 19.149 553 HG LEU 70 HG LEU 70 -6.707 -2.448 17.932 554 1HD1 LEU 70 3HD1 LEU 70 -4.338 -1.717 18.935 555 2HD1 LEU 70 2HD1 LEU 70 -4.005 -1.389 17.235 556 3HD1 LEU 70 1HD1 LEU 70 -5.352 -0.586 18.040 557 1HD2 LEU 70 2HD2 LEU 70 -5.912 -3.804 15.775 558 2HD2 LEU 70 1HD2 LEU 70 -6.525 -2.156 15.651 559 3HD2 LEU 70 3HD2 LEU 70 -4.788 -2.452 15.646 560 H GLN 71 HN GLN 71 -2.516 -3.296 18.697 561 HA GLN 71 HA GLN 71 -1.763 -1.144 17.084 562 1HB GLN 71 2HB GLN 71 -1.156 -1.535 19.454 563 2HB GLN 71 1HB GLN 71 -0.055 -2.819 18.952 564 1HG GLN 71 2HG GLN 71 1.275 -1.213 17.666 565 2HG GLN 71 1HG GLN 71 0.147 0.079 18.078 566 1HE2 GLN 71 1HE2 GLN 71 2.713 0.578 18.865 567 2HE2 GLN 71 2HE2 GLN 71 2.909 0.337 20.534 568 H ARG 72 HN ARG 72 -0.008 -4.267 17.313 569 HA ARG 72 HA ARG 72 1.957 -3.840 15.367 570 1HB ARG 72 2HB ARG 72 0.341 -6.333 15.992 571 2HB ARG 72 1HB ARG 72 1.895 -6.325 15.158 572 1HG ARG 72 2HG ARG 72 2.916 -5.220 17.148 573 2HG ARG 72 1HG ARG 72 1.367 -5.345 17.982 574 1HD ARG 72 2HD ARG 72 1.458 -7.841 17.658 575 2HD ARG 72 1HD ARG 72 3.090 -7.646 16.992 576 HE ARG 72 HE ARG 72 3.228 -6.237 19.354 577 1HH1 ARG 72 1HH1 ARG 72 2.324 -9.429 18.411 578 2HH1 ARG 72 2HH1 ARG 72 2.635 -10.119 19.968 579 1HH2 ARG 72 1HH2 ARG 72 3.552 -7.107 21.418 580 2HH2 ARG 72 2HH2 ARG 72 3.330 -8.805 21.670 581 H LEU 73 HN LEU 73 -1.257 -5.336 14.791 582 HA LEU 73 HA LEU 73 -1.133 -5.662 12.018 583 1HB LEU 73 2HB LEU 73 -3.442 -4.744 13.762 584 2HB LEU 73 1HB LEU 73 -3.611 -5.449 12.155 585 HG LEU 73 HG LEU 73 -2.436 -6.790 14.608 586 1HD1 LEU 73 1HD1 LEU 73 -5.055 -6.525 13.910 587 2HD1 LEU 73 3HD1 LEU 73 -4.637 -7.996 13.032 588 3HD1 LEU 73 2HD1 LEU 73 -4.415 -7.920 14.780 589 1HD2 LEU 73 1HD2 LEU 73 -2.003 -7.256 11.775 590 2HD2 LEU 73 3HD2 LEU 73 -1.247 -8.046 13.159 591 3HD2 LEU 73 2HD2 LEU 73 -2.779 -8.649 12.527 592 H GLU 74 HN GLU 74 -2.213 -2.734 13.780 593 HA GLU 74 HA GLU 74 -2.842 -1.113 11.559 594 1HB GLU 74 2HB GLU 74 -1.556 -0.364 14.205 595 2HB GLU 74 1HB GLU 74 -2.444 0.734 13.149 596 1HG GLU 74 2HG GLU 74 -4.428 -0.835 13.369 597 2HG GLU 74 1HG GLU 74 -3.524 -1.673 14.630 598 H GLU 75 HN GLU 75 0.329 -1.492 13.214 599 HA GLU 75 HA GLU 75 1.795 0.373 11.668 600 1HB GLU 75 2HB GLU 75 2.570 -2.260 12.963 601 2HB GLU 75 1HB GLU 75 3.723 -1.037 12.429 602 1HG GLU 75 2HG GLU 75 2.617 0.613 13.937 603 2HG GLU 75 1HG GLU 75 1.552 -0.667 14.518 604 H ILE 76 HN ILE 76 1.567 -3.182 11.178 605 HA ILE 76 HA ILE 76 3.012 -3.250 8.718 606 HB ILE 76 HB ILE 76 0.772 -5.012 9.766 607 1HG1 ILE 76 2HG1 ILE 76 3.776 -5.280 10.078 608 2HG1 ILE 76 1HG1 ILE 76 2.702 -4.658 11.330 609 1HG2 ILE 76 2HG2 ILE 76 2.847 -5.348 7.601 610 2HG2 ILE 76 1HG2 ILE 76 2.143 -6.746 8.415 611 3HG2 ILE 76 3HG2 ILE 76 1.110 -5.638 7.511 612 1HD1 ILE 76 1HD1 ILE 76 1.471 -7.021 10.552 613 2HD1 ILE 76 3HD1 ILE 76 3.187 -7.423 10.501 614 3HD1 ILE 76 2HD1 ILE 76 2.470 -6.810 11.990 615 H ALA 77 HN ALA 77 -0.427 -2.771 9.417 616 HA ALA 77 HA ALA 77 -1.432 -2.903 6.745 617 1HB ALA 77 3HB ALA 77 -2.260 -2.074 9.410 618 2HB ALA 77 1HB ALA 77 -3.234 -2.752 8.106 619 3HB ALA 77 2HB ALA 77 -2.939 -1.014 8.174 620 H GLU 78 HN GLU 78 0.119 -0.293 8.559 621 HA GLU 78 HA GLU 78 -0.520 1.912 6.896 622 1HB GLU 78 2HB GLU 78 0.545 2.109 9.074 623 2HB GLU 78 1HB GLU 78 1.957 1.218 8.505 624 1HG GLU 78 2HG GLU 78 2.380 3.012 6.834 625 2HG GLU 78 1HG GLU 78 1.009 3.914 7.482 626 H ASP 79 HN ASP 79 2.012 -0.574 6.541 627 HA ASP 79 HA ASP 79 2.306 0.178 3.699 628 1HB ASP 79 2HB ASP 79 3.855 1.720 4.533 629 2HB ASP 79 1HB ASP 79 4.319 0.672 5.872 630 HA PRO 80 HA PRO 80 3.016 -4.136 3.254 631 1HB PRO 80 2HB PRO 80 4.905 -3.731 1.123 632 2HB PRO 80 1HB PRO 80 3.202 -4.177 0.996 633 1HG PRO 80 2HG PRO 80 4.420 -1.664 0.332 634 2HG PRO 80 1HG PRO 80 2.714 -2.105 0.220 635 1HD PRO 80 2HD PRO 80 3.968 -0.327 2.121 636 2HD PRO 80 1HD PRO 80 2.246 -0.759 1.999 637 H GLY 81 HN GLY 81 4.251 -4.172 5.321 638 1HA GLY 81 1HA GLY 81 6.179 -4.680 6.581 639 2HA GLY 81 2HA GLY 81 7.085 -3.689 5.435 640 H THR 82 HN THR 82 7.316 -6.595 6.651 641 HA THR 82 HA THR 82 8.562 -7.755 4.265 642 HB THR 82 HB THR 82 9.198 -9.505 5.875 643 HG1 THR 82 1HG THR 82 8.302 -8.820 8.126 644 1HG2 THR 82 1HG2 THR 82 9.990 -6.910 5.965 645 2HG2 THR 82 3HG2 THR 82 9.400 -7.119 7.615 646 3HG2 THR 82 2HG2 THR 82 10.671 -8.171 6.992 647 H CYS 83 HN CYS 83 5.464 -7.795 5.701 648 HA CYS 83 HA CYS 83 4.477 -10.388 5.207 649 1HB CYS 83 2HB CYS 83 3.377 -8.392 6.333 650 2HB CYS 83 1HB CYS 83 3.009 -7.782 4.719 651 H GLU 84 HN GLU 84 4.385 -7.581 2.971 652 HA GLU 84 HA GLU 84 3.230 -8.880 0.749 653 1HB GLU 84 2HB GLU 84 3.619 -6.445 1.042 654 2HB GLU 84 1HB GLU 84 5.348 -6.711 0.819 655 1HG GLU 84 2HG GLU 84 4.861 -7.695 -1.429 656 2HG GLU 84 1HG GLU 84 3.160 -7.286 -1.204 657 H ILE 85 HN ILE 85 6.624 -8.885 1.828 658 HA ILE 85 HA ILE 85 7.390 -10.415 -0.607 659 HB ILE 85 HB ILE 85 9.649 -9.895 0.101 660 1HG1 ILE 85 2HG1 ILE 85 8.300 -9.113 2.692 661 2HG1 ILE 85 1HG1 ILE 85 9.554 -10.329 2.452 662 1HG2 ILE 85 3HG2 ILE 85 7.623 -7.938 -0.311 663 2HG2 ILE 85 2HG2 ILE 85 8.718 -7.305 0.918 664 3HG2 ILE 85 1HG2 ILE 85 9.346 -7.796 -0.655 665 1HD1 ILE 85 1HD1 ILE 85 10.735 -8.066 1.416 666 2HD1 ILE 85 3HD1 ILE 85 9.800 -7.413 2.762 667 3HD1 ILE 85 2HD1 ILE 85 10.996 -8.678 3.050 668 H CYS 86 HN CYS 86 5.916 -11.290 2.099 669 HA CYS 86 HA CYS 86 5.839 -13.276 3.376 670 1HB CYS 86 2HB CYS 86 7.537 -14.307 1.089 671 2HB CYS 86 1HB CYS 86 6.421 -15.235 2.090 672 H ALA 87 HN ALA 87 8.388 -11.406 3.385 673 HA ALA 87 HA ALA 87 10.642 -13.067 4.034 674 1HB ALA 87 1HB ALA 87 11.058 -10.737 5.384 675 2HB ALA 87 2HB ALA 87 9.783 -10.235 4.273 676 3HB ALA 87 3HB ALA 87 11.291 -10.901 3.643 677 H TYR 88 HN TYR 88 7.727 -12.482 5.702 678 HA TYR 88 HA TYR 88 8.850 -13.752 8.155 679 1HB TYR 88 2HB TYR 88 8.019 -10.994 7.790 680 2HB TYR 88 1HB TYR 88 7.027 -11.783 9.017 681 HD1 TYR 88 HD1 TYR 88 8.074 -12.796 11.025 682 HD2 TYR 88 HD2 TYR 88 10.379 -10.606 8.134 683 HE1 TYR 88 HE1 TYR 88 9.944 -12.621 12.646 684 HE2 TYR 88 HE2 TYR 88 12.248 -10.434 9.755 685 HH TYR 88 HH TYR 88 11.890 -11.160 13.055 686 H ALA 89 HN ALA 89 6.935 -14.345 9.657 687 HA ALA 89 HA ALA 89 4.969 -15.845 8.124 688 1HB ALA 89 2HB ALA 89 6.127 -15.854 10.676 689 2HB ALA 89 1HB ALA 89 4.421 -15.510 10.965 690 3HB ALA 89 3HB ALA 89 4.891 -16.966 10.088 691 H ALA 90 HN ALA 90 5.093 -12.612 8.709 692 HA ALA 90 HA ALA 90 2.512 -11.951 9.750 693 1HB ALA 90 1HB ALA 90 3.926 -10.297 7.683 694 2HB ALA 90 3HB ALA 90 3.156 -9.782 9.185 695 3HB ALA 90 2HB ALA 90 4.722 -10.594 9.228 696 H CYS 91 HN CYS 91 3.628 -12.660 6.447 697 HA CYS 91 HA CYS 91 0.839 -12.238 5.452 698 1HB CYS 91 2HB CYS 91 3.499 -11.700 4.500 699 2HB CYS 91 1HB CYS 91 2.680 -12.763 3.358 700 H THR 92 HN THR 92 -0.358 -14.071 5.213 701 HA THR 92 HA THR 92 1.054 -16.687 4.891 702 HB THR 92 HB THR 92 -0.918 -17.619 5.872 703 HG1 THR 92 1HG THR 92 -2.175 -15.101 5.584 704 1HG2 THR 92 2HG2 THR 92 0.561 -15.750 7.185 705 2HG2 THR 92 1HG2 THR 92 -1.055 -15.065 7.359 706 3HG2 THR 92 3HG2 THR 92 -0.721 -16.694 7.946 707 H GLY 93 HN GLY 93 0.225 -18.178 3.255 708 1HA GLY 93 1HA GLY 93 -1.574 -17.008 1.205 709 2HA GLY 93 2HA GLY 93 -1.129 -18.710 1.327 710 H CYS 94 HN CYS 94 1.623 -16.886 1.795 711 HA CYS 94 HA CYS 94 2.348 -16.111 -0.871 712 1HB CYS 94 2HB CYS 94 3.794 -16.755 1.696 713 2HB CYS 94 1HB CYS 94 4.697 -16.337 0.239 No H/Q in entry = 713 Start of MODEL 11 1 H1 VAL 1 3H VAL 1 -2.311 -11.268 -0.026 2 H2 VAL 1 2H VAL 1 -1.025 -11.151 -1.129 3 H3 VAL 1 1H VAL 1 -1.189 -12.533 -0.155 4 HA VAL 1 HA VAL 1 0.346 -11.509 1.136 5 HB VAL 1 HB VAL 1 0.545 -8.972 0.960 6 1HG1 VAL 1 3HG1 VAL 1 0.807 -10.884 -1.339 7 2HG1 VAL 1 2HG1 VAL 1 1.148 -9.174 -1.604 8 3HG1 VAL 1 1HG1 VAL 1 2.070 -10.081 -0.406 9 1HG2 VAL 1 1HG2 VAL 1 -1.950 -8.871 0.197 10 2HG2 VAL 1 3HG2 VAL 1 -0.791 -7.779 -0.562 11 3HG2 VAL 1 2HG2 VAL 1 -1.305 -9.243 -1.402 12 H THR 2 HN THR 2 -1.931 -12.393 2.284 13 HA THR 2 HA THR 2 -3.257 -10.213 3.779 14 HB THR 2 HB THR 2 -3.538 -13.233 3.903 15 HG1 THR 2 1HG THR 2 -4.874 -11.246 2.387 16 1HG2 THR 2 1HG2 THR 2 -4.433 -11.647 5.790 17 2HG2 THR 2 3HG2 THR 2 -5.662 -11.225 4.598 18 3HG2 THR 2 2HG2 THR 2 -5.493 -12.895 5.136 19 H VAL 3 HN VAL 3 -3.148 -10.042 6.071 20 HA VAL 3 HA VAL 3 -0.601 -11.003 7.245 21 HB VAL 3 HB VAL 3 -2.522 -8.805 7.602 22 1HG1 VAL 3 2HG1 VAL 3 -1.266 -10.132 10.024 23 2HG1 VAL 3 1HG1 VAL 3 -1.963 -8.512 10.029 24 3HG1 VAL 3 3HG1 VAL 3 -2.988 -9.913 9.720 25 1HG2 VAL 3 1HG2 VAL 3 0.407 -9.351 7.853 26 2HG2 VAL 3 3HG2 VAL 3 -0.423 -8.103 6.924 27 3HG2 VAL 3 2HG2 VAL 3 -0.246 -7.931 8.671 28 H GLN 4 HN GLN 4 -0.608 -12.889 8.385 29 HA GLN 4 HA GLN 4 -3.189 -13.803 9.602 30 1HB GLN 4 2HB GLN 4 -2.074 -15.172 7.815 31 2HB GLN 4 1HB GLN 4 -0.684 -15.358 8.885 32 1HG GLN 4 2HG GLN 4 -2.228 -16.344 10.607 33 2HG GLN 4 1HG GLN 4 -3.520 -16.298 9.408 34 1HE2 GLN 4 1HE2 GLN 4 -3.745 -18.227 8.281 35 2HE2 GLN 4 2HE2 GLN 4 -2.498 -19.340 7.984 36 H ASP 5 HN ASP 5 -3.290 -13.900 11.810 37 HA ASP 5 HA ASP 5 -0.733 -13.617 13.351 38 1HB ASP 5 2HB ASP 5 -3.614 -12.857 13.926 39 2HB ASP 5 1HB ASP 5 -2.304 -12.686 15.095 40 H GLY 6 HN GLY 6 -2.675 -15.997 12.352 41 1HA GLY 6 1HA GLY 6 -3.567 -17.358 14.684 42 2HA GLY 6 2HA GLY 6 -1.915 -17.875 14.349 43 H ASN 7 HN ASN 7 -4.780 -19.103 14.005 44 HA ASN 7 HA ASN 7 -4.110 -20.587 11.564 45 1HB ASN 7 2HB ASN 7 -5.148 -21.408 13.788 46 2HB ASN 7 1HB ASN 7 -6.657 -20.723 13.184 47 1HD2 ASN 7 1HD2 ASN 7 -7.041 -23.300 13.404 48 2HD2 ASN 7 2HD2 ASN 7 -6.794 -24.169 11.968 49 H PHE 8 HN PHE 8 -5.584 -17.641 12.097 50 HA PHE 8 HA PHE 8 -7.354 -17.952 9.692 51 1HB PHE 8 2HB PHE 8 -7.556 -16.038 12.040 52 2HB PHE 8 1HB PHE 8 -8.741 -16.227 10.745 53 HD1 PHE 8 HD1 PHE 8 -7.139 -17.912 13.640 54 HD2 PHE 8 HD2 PHE 8 -10.298 -18.057 10.733 55 HE1 PHE 8 HE1 PHE 8 -8.205 -19.768 14.892 56 HE2 PHE 8 HE2 PHE 8 -11.363 -19.914 11.982 57 HZ PHE 8 HZ PHE 8 -10.316 -20.771 14.062 58 H SER 9 HN SER 9 -7.137 -16.388 8.063 59 HA SER 9 HA SER 9 -4.680 -14.742 8.153 60 1HB SER 9 2HB SER 9 -5.033 -14.601 5.775 61 2HB SER 9 1HB SER 9 -5.435 -16.252 6.244 62 HG SER 9 HG SER 9 -6.980 -14.455 5.058 63 H PHE 10 HN PHE 10 -4.740 -12.572 8.589 64 HA PHE 10 HA PHE 10 -7.409 -11.214 8.617 65 1HB PHE 10 2HB PHE 10 -4.788 -10.727 10.068 66 2HB PHE 10 1HB PHE 10 -6.182 -9.657 10.193 67 HD1 PHE 10 HD1 PHE 10 -7.969 -12.410 9.808 68 HD2 PHE 10 HD2 PHE 10 -5.068 -10.920 12.607 69 HE1 PHE 10 HE1 PHE 10 -8.931 -13.855 11.578 70 HE2 PHE 10 HE2 PHE 10 -6.030 -12.369 14.373 71 HZ PHE 10 HZ PHE 10 -7.962 -13.833 13.862 72 H SER 11 HN SER 11 -7.709 -9.867 6.879 73 HA SER 11 HA SER 11 -5.568 -9.035 5.126 74 1HB SER 11 2HB SER 11 -7.955 -9.396 4.499 75 2HB SER 11 1HB SER 11 -8.401 -7.995 5.472 76 HG SER 11 HG SER 11 -8.147 -7.282 3.401 77 H LEU 12 HN LEU 12 -5.140 -6.648 4.680 78 HA LEU 12 HA LEU 12 -4.696 -5.234 7.254 79 1HB LEU 12 2HB LEU 12 -3.752 -4.763 4.408 80 2HB LEU 12 1HB LEU 12 -3.197 -3.856 5.814 81 HG LEU 12 HG LEU 12 -2.558 -6.144 6.815 82 1HD1 LEU 12 3HD1 LEU 12 -3.337 -6.852 4.017 83 2HD1 LEU 12 2HD1 LEU 12 -1.940 -7.671 4.714 84 3HD1 LEU 12 1HD1 LEU 12 -3.514 -7.788 5.502 85 1HD2 LEU 12 3HD2 LEU 12 -1.017 -4.378 5.764 86 2HD2 LEU 12 2HD2 LEU 12 -0.392 -6.027 5.829 87 3HD2 LEU 12 1HD2 LEU 12 -1.033 -5.386 4.316 88 H GLU 13 HN GLU 13 -7.128 -5.316 5.005 89 HA GLU 13 HA GLU 13 -7.608 -2.482 4.577 90 1HB GLU 13 2HB GLU 13 -9.426 -4.907 4.410 91 2HB GLU 13 1HB GLU 13 -9.749 -3.333 3.686 92 1HG GLU 13 2HG GLU 13 -7.741 -3.548 2.285 93 2HG GLU 13 1HG GLU 13 -7.373 -5.102 3.034 94 H SER 14 HN SER 14 -9.705 -4.802 6.315 95 HA SER 14 HA SER 14 -11.203 -2.940 7.780 96 1HB SER 14 2HB SER 14 -10.289 -5.616 8.844 97 2HB SER 14 1HB SER 14 -11.851 -4.829 9.075 98 HG SER 14 HG SER 14 -11.261 -6.560 7.248 99 H VAL 15 HN VAL 15 -8.044 -4.379 8.639 100 HA VAL 15 HA VAL 15 -7.930 -3.255 11.287 101 HB VAL 15 HB VAL 15 -5.992 -4.387 9.280 102 1HG1 VAL 15 3HG1 VAL 15 -5.376 -3.000 11.889 103 2HG1 VAL 15 2HG1 VAL 15 -4.332 -4.278 11.266 104 3HG1 VAL 15 1HG1 VAL 15 -4.577 -2.805 10.329 105 1HG2 VAL 15 3HG2 VAL 15 -7.492 -5.248 11.671 106 2HG2 VAL 15 2HG2 VAL 15 -6.885 -6.206 10.317 107 3HG2 VAL 15 1HG2 VAL 15 -5.807 -5.774 11.645 108 H LYS 16 HN LYS 16 -6.293 -2.222 8.248 109 HA LYS 16 HA LYS 16 -5.195 0.191 9.222 110 1HB LYS 16 2HB LYS 16 -4.656 -0.703 7.038 111 2HB LYS 16 1HB LYS 16 -6.343 -0.611 6.529 112 1HG LYS 16 2HG LYS 16 -6.252 1.864 6.772 113 2HG LYS 16 1HG LYS 16 -4.546 1.741 7.201 114 1HD LYS 16 2HD LYS 16 -3.963 0.910 5.039 115 2HD LYS 16 1HD LYS 16 -5.651 0.613 4.621 116 1HE LYS 16 2HE LYS 16 -4.483 2.771 3.682 117 2HE LYS 16 1HE LYS 16 -6.112 2.928 4.366 118 1HZ LYS 16 2HZ LYS 16 -3.666 3.169 6.026 119 2HZ LYS 16 1HZ LYS 16 -4.352 4.514 5.250 120 3HZ LYS 16 3HZ LYS 16 -5.246 3.659 6.410 121 H LYS 17 HN LYS 17 -8.313 -0.246 7.512 122 HA LYS 17 HA LYS 17 -9.246 2.425 8.279 123 1HB LYS 17 2HB LYS 17 -9.759 1.209 6.131 124 2HB LYS 17 1HB LYS 17 -10.716 0.061 7.068 125 1HG LYS 17 2HG LYS 17 -12.135 1.927 7.877 126 2HG LYS 17 1HG LYS 17 -11.198 3.052 6.893 127 1HD LYS 17 2HD LYS 17 -11.811 1.663 4.875 128 2HD LYS 17 1HD LYS 17 -12.899 0.742 5.914 129 1HE LYS 17 2HE LYS 17 -14.389 2.509 6.142 130 2HE LYS 17 1HE LYS 17 -13.124 3.734 5.934 131 1HZ LYS 17 3HZ LYS 17 -13.595 1.879 3.722 132 2HZ LYS 17 2HZ LYS 17 -14.770 3.079 3.977 133 3HZ LYS 17 1HZ LYS 17 -13.156 3.517 3.680 134 H LEU 18 HN LEU 18 -8.784 -0.196 10.141 135 HA LEU 18 HA LEU 18 -11.223 -0.864 11.391 136 1HB LEU 18 2HB LEU 18 -8.801 -1.747 11.612 137 2HB LEU 18 1HB LEU 18 -8.582 -0.472 12.809 138 HG LEU 18 HG LEU 18 -10.852 -2.464 12.965 139 1HD1 LEU 18 3HD1 LEU 18 -7.978 -2.698 13.803 140 2HD1 LEU 18 2HD1 LEU 18 -9.225 -3.404 14.833 141 3HD1 LEU 18 1HD1 LEU 18 -9.060 -3.937 13.160 142 1HD2 LEU 18 3HD2 LEU 18 -9.516 -0.572 14.921 143 2HD2 LEU 18 2HD2 LEU 18 -11.172 -0.490 14.323 144 3HD2 LEU 18 1HD2 LEU 18 -10.688 -1.801 15.400 145 H LYS 19 HN LYS 19 -8.975 1.832 12.090 146 HA LYS 19 HA LYS 19 -10.303 2.882 14.376 147 1HB LYS 19 2HB LYS 19 -8.045 3.493 13.464 148 2HB LYS 19 1HB LYS 19 -8.851 4.366 12.160 149 1HG LYS 19 2HG LYS 19 -10.007 5.776 13.858 150 2HG LYS 19 1HG LYS 19 -9.120 4.937 15.130 151 1HD LYS 19 2HD LYS 19 -6.981 5.668 14.055 152 2HD LYS 19 1HD LYS 19 -7.924 6.602 12.893 153 1HE LYS 19 2HE LYS 19 -8.763 8.059 14.598 154 2HE LYS 19 1HE LYS 19 -8.203 6.981 15.890 155 1HZ LYS 19 3HZ LYS 19 -6.244 7.897 13.914 156 2HZ LYS 19 2HZ LYS 19 -6.757 9.022 15.078 157 3HZ LYS 19 1HZ LYS 19 -6.034 7.564 15.563 158 H ASP 20 HN ASP 20 -10.698 3.753 10.922 159 HA ASP 20 HA ASP 20 -13.164 5.280 11.610 160 1HB ASP 20 2HB ASP 20 -11.343 6.261 10.204 161 2HB ASP 20 1HB ASP 20 -11.611 4.985 9.016 162 H LEU 21 HN LEU 21 -14.904 3.869 11.723 163 HA LEU 21 HA LEU 21 -15.161 1.802 9.566 164 1HB LEU 21 2HB LEU 21 -15.007 1.313 12.137 165 2HB LEU 21 1HB LEU 21 -16.686 1.852 12.162 166 HG LEU 21 HG LEU 21 -16.779 -0.511 11.842 167 1HD1 LEU 21 1HD1 LEU 21 -18.170 0.920 10.279 168 2HD1 LEU 21 3HD1 LEU 21 -16.931 0.660 9.053 169 3HD1 LEU 21 2HD1 LEU 21 -17.842 -0.708 9.688 170 1HD2 LEU 21 3HD2 LEU 21 -14.294 -0.026 10.429 171 2HD2 LEU 21 2HD2 LEU 21 -14.920 -1.538 11.085 172 3HD2 LEU 21 1HD2 LEU 21 -15.373 -1.029 9.459 173 H GLN 22 HN GLN 22 -16.749 2.197 8.081 174 HA GLN 22 HA GLN 22 -19.003 4.014 8.872 175 1HB GLN 22 2HB GLN 22 -17.557 3.627 6.232 176 2HB GLN 22 1HB GLN 22 -18.956 4.676 6.457 177 1HG GLN 22 2HG GLN 22 -17.710 5.985 8.136 178 2HG GLN 22 1HG GLN 22 -16.314 4.927 7.929 179 1HE2 GLN 22 1HE2 GLN 22 -16.125 7.729 7.389 180 2HE2 GLN 22 2HE2 GLN 22 -15.899 7.943 5.720 181 H GLU 23 HN GLU 23 -21.089 3.457 7.993 182 HA GLU 23 HA GLU 23 -21.919 0.814 8.028 183 1HB GLU 23 2HB GLU 23 -22.878 3.390 7.074 184 2HB GLU 23 1HB GLU 23 -23.503 2.071 6.085 185 1HG GLU 23 2HG GLU 23 -23.718 2.353 9.095 186 2HG GLU 23 1HG GLU 23 -25.038 2.411 7.926 187 HA PRO 24 HA PRO 24 -21.363 0.577 3.195 188 1HB PRO 24 2HB PRO 24 -19.305 2.474 2.527 189 2HB PRO 24 1HB PRO 24 -20.982 2.446 1.975 190 1HG PRO 24 2HG PRO 24 -19.766 4.271 3.829 191 2HG PRO 24 1HG PRO 24 -21.444 4.240 3.281 192 1HD PRO 24 2HD PRO 24 -20.413 3.511 5.876 193 2HD PRO 24 1HD PRO 24 -22.104 3.485 5.325 194 H GLN 25 HN GLN 25 -19.806 -0.866 2.314 195 HA GLN 25 HA GLN 25 -17.470 -1.433 4.072 196 1HB GLN 25 2HB GLN 25 -19.168 -3.174 3.491 197 2HB GLN 25 1HB GLN 25 -18.730 -2.992 1.793 198 1HG GLN 25 2HG GLN 25 -16.381 -3.603 2.372 199 2HG GLN 25 1HG GLN 25 -16.893 -3.882 4.037 200 1HE2 GLN 25 1HE2 GLN 25 -17.332 -6.049 4.442 201 2HE2 GLN 25 2HE2 GLN 25 -17.923 -7.160 3.301 202 H GLU 26 HN GLU 26 -15.423 -2.111 2.888 203 HA GLU 26 HA GLU 26 -14.986 -0.352 0.499 204 1HB GLU 26 2HB GLU 26 -12.607 -0.384 1.339 205 2HB GLU 26 1HB GLU 26 -13.751 0.320 2.482 206 1HG GLU 26 2HG GLU 26 -13.474 -1.369 3.985 207 2HG GLU 26 1HG GLU 26 -13.413 -2.602 2.728 208 HA PRO 27 HA PRO 27 -14.681 -4.706 -1.036 209 1HB PRO 27 2HB PRO 27 -15.259 -3.574 -3.618 210 2HB PRO 27 1HB PRO 27 -16.293 -4.604 -2.625 211 1HG PRO 27 2HG PRO 27 -16.582 -1.793 -3.154 212 2HG PRO 27 1HG PRO 27 -17.623 -2.826 -2.171 213 1HD PRO 27 2HD PRO 27 -15.800 -0.782 -1.266 214 2HD PRO 27 1HD PRO 27 -16.835 -1.838 -0.274 215 H ARG 28 HN ARG 28 -13.136 -1.695 -1.737 216 HA ARG 28 HA ARG 28 -11.350 -2.351 -3.828 217 1HB ARG 28 2HB ARG 28 -11.021 -0.648 -1.336 218 2HB ARG 28 1HB ARG 28 -9.937 -0.584 -2.726 219 1HG ARG 28 2HG ARG 28 -11.895 -0.021 -4.173 220 2HG ARG 28 1HG ARG 28 -12.911 0.021 -2.732 221 1HD ARG 28 2HD ARG 28 -11.391 1.795 -1.786 222 2HD ARG 28 1HD ARG 28 -10.541 1.824 -3.343 223 HE ARG 28 HE ARG 28 -13.477 2.094 -3.492 224 1HH1 ARG 28 1HH1 ARG 28 -11.174 4.135 -2.271 225 2HH1 ARG 28 2HH1 ARG 28 -11.358 5.378 -3.462 226 1HH2 ARG 28 1HH2 ARG 28 -13.384 3.468 -5.527 227 2HH2 ARG 28 2HH2 ARG 28 -12.608 5.000 -5.305 228 H VAL 29 HN VAL 29 -9.173 -3.192 -3.768 229 HA VAL 29 HA VAL 29 -8.753 -5.277 -1.740 230 HB VAL 29 HB VAL 29 -7.073 -4.334 -4.087 231 1HG1 VAL 29 1HG1 VAL 29 -7.021 -6.780 -2.315 232 2HG1 VAL 29 3HG1 VAL 29 -6.316 -6.794 -3.932 233 3HG1 VAL 29 2HG1 VAL 29 -5.694 -5.686 -2.708 234 1HG2 VAL 29 1HG2 VAL 29 -9.524 -5.983 -3.863 235 2HG2 VAL 29 3HG2 VAL 29 -8.899 -5.076 -5.240 236 3HG2 VAL 29 2HG2 VAL 29 -8.243 -6.669 -4.863 237 H GLY 30 HN GLY 30 -6.997 -5.317 -0.255 238 1HA GLY 30 1HA GLY 30 -5.563 -4.316 1.319 239 2HA GLY 30 2HA GLY 30 -6.112 -2.746 0.730 240 H LYS 31 HN LYS 31 -5.300 -2.438 -1.725 241 HA LYS 31 HA LYS 31 -2.561 -3.487 -2.126 242 1HB LYS 31 2HB LYS 31 -4.418 -1.698 -3.727 243 2HB LYS 31 1HB LYS 31 -2.847 -2.260 -4.300 244 1HG LYS 31 2HG LYS 31 -3.625 -4.616 -3.962 245 2HG LYS 31 1HG LYS 31 -5.219 -3.990 -3.545 246 1HD LYS 31 2HD LYS 31 -5.299 -2.852 -5.774 247 2HD LYS 31 1HD LYS 31 -3.770 -3.631 -6.185 248 1HE LYS 31 2HE LYS 31 -5.493 -5.674 -5.197 249 2HE LYS 31 1HE LYS 31 -6.421 -4.727 -6.376 250 1HZ LYS 31 1HZ LYS 31 -3.611 -5.418 -6.930 251 2HZ LYS 31 3HZ LYS 31 -4.815 -6.580 -7.204 252 3HZ LYS 31 2HZ LYS 31 -4.870 -5.093 -8.025 253 H LEU 32 HN LEU 32 -3.984 -0.204 -2.377 254 HA LEU 32 HA LEU 32 -1.378 0.976 -1.624 255 1HB LEU 32 2HB LEU 32 -4.043 2.246 -2.329 256 2HB LEU 32 1HB LEU 32 -2.470 3.044 -2.326 257 HG LEU 32 HG LEU 32 -3.306 0.743 -4.120 258 1HD1 LEU 32 2HD1 LEU 32 -3.498 3.619 -4.345 259 2HD1 LEU 32 1HD1 LEU 32 -2.410 2.987 -5.581 260 3HD1 LEU 32 3HD1 LEU 32 -4.062 2.381 -5.468 261 1HD2 LEU 32 3HD2 LEU 32 -0.697 1.790 -3.319 262 2HD2 LEU 32 2HD2 LEU 32 -1.087 0.318 -4.208 263 3HD2 LEU 32 1HD2 LEU 32 -0.934 1.851 -5.066 264 H ARG 33 HN ARG 33 -3.988 -0.225 0.065 265 HA ARG 33 HA ARG 33 -4.565 1.796 2.002 266 1HB ARG 33 2HB ARG 33 -4.887 -1.111 1.614 267 2HB ARG 33 1HB ARG 33 -4.819 -0.622 3.308 268 1HG ARG 33 2HG ARG 33 -6.899 0.241 3.200 269 2HG ARG 33 1HG ARG 33 -6.468 1.216 1.795 270 1HD ARG 33 2HD ARG 33 -6.730 -0.938 0.410 271 2HD ARG 33 1HD ARG 33 -7.526 -1.621 1.841 272 HE ARG 33 HE ARG 33 -9.316 -0.056 1.544 273 1HH1 ARG 33 1HH1 ARG 33 -8.500 -0.590 -1.395 274 2HH1 ARG 33 2HH1 ARG 33 -8.531 1.024 -2.023 275 1HH2 ARG 33 1HH2 ARG 33 -8.566 2.523 1.103 276 2HH2 ARG 33 2HH2 ARG 33 -8.569 2.786 -0.609 277 H ASN 34 HN ASN 34 -2.213 2.593 2.186 278 HA ASN 34 HA ASN 34 -0.818 1.070 4.363 279 1HB ASN 34 2HB ASN 34 0.352 2.517 1.965 280 2HB ASN 34 1HB ASN 34 1.296 1.750 3.242 281 1HD2 ASN 34 1HD2 ASN 34 -0.175 -0.638 3.628 282 2HD2 ASN 34 2HD2 ASN 34 -0.116 -1.565 2.206 283 H PHE 35 HN PHE 35 -2.668 3.518 4.294 284 HA PHE 35 HA PHE 35 -0.757 5.523 5.446 285 1HB PHE 35 2HB PHE 35 -3.535 5.813 4.254 286 2HB PHE 35 1HB PHE 35 -2.556 7.143 4.874 287 HD1 PHE 35 HD1 PHE 35 -0.478 7.824 3.726 288 HD2 PHE 35 HD2 PHE 35 -3.011 4.732 2.151 289 HE1 PHE 35 HE1 PHE 35 0.685 7.984 1.541 290 HE2 PHE 35 HE2 PHE 35 -1.848 4.892 -0.033 291 HZ PHE 35 HZ PHE 35 -0.001 6.518 -0.339 292 H ALA 36 HN ALA 36 -1.452 3.432 7.127 293 HA ALA 36 HA ALA 36 -3.838 3.736 8.649 294 1HB ALA 36 3HB ALA 36 -2.849 2.107 9.963 295 2HB ALA 36 1HB ALA 36 -1.277 2.906 9.944 296 3HB ALA 36 2HB ALA 36 -1.813 1.981 8.541 297 HA PRO 37 HA PRO 37 -3.079 7.524 10.814 298 1HB PRO 37 2HB PRO 37 -4.711 6.647 13.010 299 2HB PRO 37 1HB PRO 37 -5.157 7.729 11.687 300 1HG PRO 37 2HG PRO 37 -6.069 5.061 12.127 301 2HG PRO 37 1HG PRO 37 -6.432 6.104 10.750 302 1HD PRO 37 2HD PRO 37 -4.680 3.773 10.851 303 2HD PRO 37 1HD PRO 37 -5.188 4.719 9.432 304 H ILE 38 HN ILE 38 -1.253 5.121 11.323 305 HA ILE 38 HA ILE 38 0.426 4.550 12.874 306 HB ILE 38 HB ILE 38 -0.441 7.186 14.103 307 1HG1 ILE 38 2HG1 ILE 38 1.852 7.013 12.216 308 2HG1 ILE 38 1HG1 ILE 38 0.242 6.897 11.507 309 1HG2 ILE 38 2HG2 ILE 38 2.187 5.670 14.127 310 2HG2 ILE 38 1HG2 ILE 38 1.940 7.277 14.810 311 3HG2 ILE 38 3HG2 ILE 38 1.102 5.888 15.500 312 1HD1 ILE 38 3HD1 ILE 38 -0.170 8.972 13.180 313 2HD1 ILE 38 2HD1 ILE 38 1.553 9.194 12.873 314 3HD1 ILE 38 1HD1 ILE 38 0.412 9.187 11.529 315 HA PRO 39 HA PRO 39 -2.020 2.457 15.932 316 1HB PRO 39 2HB PRO 39 0.387 1.712 17.321 317 2HB PRO 39 1HB PRO 39 -0.605 0.717 16.253 318 1HG PRO 39 2HG PRO 39 1.998 1.811 15.729 319 2HG PRO 39 1HG PRO 39 1.003 0.822 14.660 320 1HD PRO 39 2HD PRO 39 1.590 3.641 14.432 321 2HD PRO 39 1HD PRO 39 0.594 2.641 13.348 322 H GLY 40 HN GLY 40 -2.318 2.580 18.339 323 1HA GLY 40 1HA GLY 40 -1.600 5.281 19.322 324 2HA GLY 40 2HA GLY 40 -1.097 3.909 20.308 325 H GLU 41 HN GLU 41 -3.984 3.210 18.681 326 HA GLU 41 HA GLU 41 -5.589 4.055 21.074 327 1HB GLU 41 2HB GLU 41 -7.451 4.284 19.502 328 2HB GLU 41 1HB GLU 41 -6.072 5.212 18.912 329 1HG GLU 41 2HG GLU 41 -6.079 4.020 17.004 330 2HG GLU 41 1HG GLU 41 -5.835 2.535 17.925 331 HA PRO 42 HA PRO 42 -5.458 -0.604 20.845 332 1HB PRO 42 2HB PRO 42 -5.536 -0.516 23.718 333 2HB PRO 42 1HB PRO 42 -4.203 -1.035 22.683 334 1HG PRO 42 2HG PRO 42 -4.382 1.360 24.254 335 2HG PRO 42 1HG PRO 42 -3.057 0.848 23.206 336 1HD PRO 42 2HD PRO 42 -4.965 2.975 22.753 337 2HD PRO 42 1HD PRO 42 -3.611 2.478 21.712 338 H VAL 43 HN VAL 43 -7.445 -1.590 20.658 339 HA VAL 43 HA VAL 43 -9.652 -0.714 22.485 340 HB VAL 43 HB VAL 43 -11.139 -0.689 20.517 341 1HG1 VAL 43 1HG1 VAL 43 -9.334 1.223 21.186 342 2HG1 VAL 43 3HG1 VAL 43 -8.862 0.928 19.514 343 3HG1 VAL 43 2HG1 VAL 43 -10.513 1.421 19.889 344 1HG2 VAL 43 2HG2 VAL 43 -8.672 -1.775 19.224 345 2HG2 VAL 43 1HG2 VAL 43 -10.361 -2.210 18.959 346 3HG2 VAL 43 3HG2 VAL 43 -9.713 -0.725 18.261 347 H VAL 44 HN VAL 44 -11.004 -2.413 23.136 348 HA VAL 44 HA VAL 44 -11.465 -4.878 21.881 349 HB VAL 44 HB VAL 44 -8.788 -4.566 23.055 350 1HG1 VAL 44 2HG1 VAL 44 -9.884 -5.868 24.877 351 2HG1 VAL 44 1HG1 VAL 44 -10.379 -7.072 23.688 352 3HG1 VAL 44 3HG1 VAL 44 -8.668 -6.815 24.023 353 1HG2 VAL 44 2HG2 VAL 44 -10.024 -5.664 20.772 354 2HG2 VAL 44 1HG2 VAL 44 -8.301 -5.668 21.152 355 3HG2 VAL 44 3HG2 VAL 44 -9.312 -7.030 21.632 356 HA PRO 45 HA PRO 45 -12.073 -5.414 26.681 357 1HB PRO 45 2HB PRO 45 -11.538 -2.844 27.858 358 2HB PRO 45 1HB PRO 45 -10.707 -4.372 28.157 359 1HG PRO 45 2HG PRO 45 -9.726 -2.085 26.728 360 2HG PRO 45 1HG PRO 45 -8.899 -3.617 27.018 361 1HD PRO 45 2HD PRO 45 -9.990 -2.631 24.537 362 2HD PRO 45 1HD PRO 45 -9.147 -4.170 24.823 363 H ILE 46 HN ILE 46 -12.801 -2.609 24.763 364 HA ILE 46 HA ILE 46 -15.254 -1.942 26.274 365 HB ILE 46 HB ILE 46 -14.027 -0.914 23.693 366 1HG1 ILE 46 2HG1 ILE 46 -14.056 0.273 26.484 367 2HG1 ILE 46 1HG1 ILE 46 -12.674 -0.552 25.761 368 1HG2 ILE 46 3HG2 ILE 46 -16.622 -0.504 24.867 369 2HG2 ILE 46 2HG2 ILE 46 -15.709 1.002 24.946 370 3HG2 ILE 46 1HG2 ILE 46 -15.959 0.203 23.394 371 1HD1 ILE 46 1HD1 ILE 46 -12.658 1.106 23.922 372 2HD1 ILE 46 3HD1 ILE 46 -14.022 1.938 24.669 373 3HD1 ILE 46 2HD1 ILE 46 -12.463 1.888 25.492 374 H LEU 47 HN LEU 47 -15.068 -4.624 25.085 375 HA LEU 47 HA LEU 47 -16.385 -6.086 23.775 376 1HB LEU 47 2HB LEU 47 -18.087 -3.714 24.466 377 2HB LEU 47 1HB LEU 47 -18.740 -4.931 23.368 378 HG LEU 47 HG LEU 47 -19.266 -5.359 25.798 379 1HD1 LEU 47 2HD1 LEU 47 -17.868 -7.227 23.955 380 2HD1 LEU 47 1HD1 LEU 47 -18.047 -7.768 25.624 381 3HD1 LEU 47 3HD1 LEU 47 -19.474 -7.347 24.675 382 1HD2 LEU 47 1HD2 LEU 47 -16.880 -4.518 26.443 383 2HD2 LEU 47 3HD2 LEU 47 -17.568 -5.871 27.342 384 3HD2 LEU 47 2HD2 LEU 47 -16.377 -6.168 26.076 385 H CYS 48 HN CYS 48 -14.730 -5.564 22.008 386 HA CYS 48 HA CYS 48 -14.192 -4.855 19.807 387 1HB CYS 48 2HB CYS 48 -17.164 -5.448 19.630 388 2HB CYS 48 1HB CYS 48 -16.037 -5.451 18.274 389 H SER 49 HN SER 49 -13.725 -2.618 20.043 390 HA SER 49 HA SER 49 -15.567 -0.516 20.452 391 1HB SER 49 2HB SER 49 -13.019 -0.533 20.485 392 2HB SER 49 1HB SER 49 -13.084 -0.429 18.726 393 HG SER 49 HG SER 49 -13.782 1.569 18.844 394 H ASN 50 HN ASN 50 -14.141 -1.465 17.308 395 HA ASN 50 HA ASN 50 -16.170 0.029 15.826 396 1HB ASN 50 2HB ASN 50 -13.767 -1.675 15.266 397 2HB ASN 50 1HB ASN 50 -14.877 -1.312 13.944 398 1HD2 ASN 50 1HD2 ASN 50 -15.537 1.217 14.003 399 2HD2 ASN 50 2HD2 ASN 50 -14.226 2.278 14.187 400 HA PRO 51 HA PRO 51 -19.019 -3.455 16.110 401 1HB PRO 51 2HB PRO 51 -20.739 -1.988 14.331 402 2HB PRO 51 1HB PRO 51 -20.922 -2.229 16.071 403 1HG PRO 51 2HG PRO 51 -20.189 0.180 14.690 404 2HG PRO 51 1HG PRO 51 -20.361 -0.063 16.431 405 1HD PRO 51 2HD PRO 51 -17.924 0.297 14.921 406 2HD PRO 51 1HD PRO 51 -18.099 0.065 16.675 407 H ASN 52 HN ASN 52 -17.239 -2.254 13.488 408 HA ASN 52 HA ASN 52 -18.035 -4.608 11.829 409 1HB ASN 52 2HB ASN 52 -17.944 -1.681 11.101 410 2HB ASN 52 1HB ASN 52 -17.858 -2.937 9.867 411 1HD2 ASN 52 1HD2 ASN 52 -20.084 -1.124 10.014 412 2HD2 ASN 52 2HD2 ASN 52 -21.464 -2.010 10.454 413 H PHE 53 HN PHE 53 -15.681 -4.061 13.531 414 HA PHE 53 HA PHE 53 -13.432 -3.358 11.804 415 1HB PHE 53 2HB PHE 53 -12.202 -3.615 13.778 416 2HB PHE 53 1HB PHE 53 -13.810 -3.309 14.434 417 HD1 PHE 53 HD1 PHE 53 -15.307 -5.665 14.348 418 HD2 PHE 53 HD2 PHE 53 -11.061 -5.308 14.900 419 HE1 PHE 53 HE1 PHE 53 -15.268 -7.868 15.485 420 HE2 PHE 53 HE2 PHE 53 -11.022 -7.516 16.037 421 HZ PHE 53 HZ PHE 53 -13.125 -8.789 16.329 422 HA PRO 54 HA PRO 54 -12.195 -7.253 10.149 423 1HB PRO 54 2HB PRO 54 -10.034 -7.948 11.930 424 2HB PRO 54 1HB PRO 54 -9.927 -7.290 10.299 425 1HG PRO 54 2HG PRO 54 -9.379 -5.958 12.784 426 2HG PRO 54 1HG PRO 54 -9.276 -5.292 11.153 427 1HD PRO 54 2HD PRO 54 -11.225 -4.696 13.176 428 2HD PRO 54 1HD PRO 54 -11.155 -4.051 11.522 429 H GLU 55 HN GLU 55 -14.318 -7.880 11.319 430 HA GLU 55 HA GLU 55 -14.668 -9.160 13.722 431 1HB GLU 55 2HB GLU 55 -16.342 -8.804 11.908 432 2HB GLU 55 1HB GLU 55 -15.631 -10.158 11.024 433 1HG GLU 55 2HG GLU 55 -16.108 -11.640 12.967 434 2HG GLU 55 1HG GLU 55 -16.888 -10.286 13.782 435 H GLU 56 HN GLU 56 -13.022 -10.522 10.875 436 HA GLU 56 HA GLU 56 -12.743 -13.210 11.684 437 1HB GLU 56 2HB GLU 56 -10.827 -11.312 10.283 438 2HB GLU 56 1HB GLU 56 -10.636 -13.066 10.307 439 1HG GLU 56 2HG GLU 56 -12.903 -13.282 9.273 440 2HG GLU 56 1HG GLU 56 -12.981 -11.523 9.156 441 H LEU 57 HN LEU 57 -11.447 -10.326 13.035 442 HA LEU 57 HA LEU 57 -9.346 -11.724 14.602 443 1HB LEU 57 2HB LEU 57 -10.224 -8.860 14.149 444 2HB LEU 57 1HB LEU 57 -9.002 -9.282 15.352 445 HG LEU 57 HG LEU 57 -7.679 -10.399 13.591 446 1HD1 LEU 57 1HD1 LEU 57 -10.067 -9.650 11.958 447 2HD1 LEU 57 3HD1 LEU 57 -8.486 -9.662 11.179 448 3HD1 LEU 57 2HD1 LEU 57 -9.112 -11.128 11.930 449 1HD2 LEU 57 2HD2 LEU 57 -8.231 -7.571 13.801 450 2HD2 LEU 57 1HD2 LEU 57 -6.695 -8.372 13.470 451 3HD2 LEU 57 3HD2 LEU 57 -7.787 -7.976 12.143 452 H LYS 58 HN LYS 58 -12.459 -11.790 14.846 453 HA LYS 58 HA LYS 58 -13.559 -10.642 17.071 454 1HB LYS 58 2HB LYS 58 -14.007 -12.872 15.452 455 2HB LYS 58 1HB LYS 58 -13.968 -13.531 17.087 456 1HG LYS 58 2HG LYS 58 -15.482 -11.000 16.734 457 2HG LYS 58 1HG LYS 58 -16.191 -12.436 15.995 458 1HD LYS 58 2HD LYS 58 -15.866 -13.612 18.219 459 2HD LYS 58 1HD LYS 58 -15.436 -12.045 18.903 460 1HE LYS 58 2HE LYS 58 -17.688 -11.857 19.288 461 2HE LYS 58 1HE LYS 58 -17.780 -11.462 17.561 462 1HZ LYS 58 1HZ LYS 58 -17.771 -14.243 18.607 463 2HZ LYS 58 3HZ LYS 58 -19.200 -13.388 18.285 464 3HZ LYS 58 2HZ LYS 58 -18.117 -13.735 17.023 465 HA PRO 59 HA PRO 59 -11.491 -14.025 19.953 466 1HB PRO 59 2HB PRO 59 -8.959 -14.570 18.689 467 2HB PRO 59 1HB PRO 59 -10.257 -15.706 19.067 468 1HG PRO 59 2HG PRO 59 -9.501 -14.616 16.484 469 2HG PRO 59 1HG PRO 59 -10.682 -15.878 16.843 470 1HD PRO 59 2HD PRO 59 -11.244 -13.248 15.952 471 2HD PRO 59 1HD PRO 59 -12.426 -14.419 16.578 472 H LEU 60 HN LEU 60 -9.324 -11.971 17.955 473 HA LEU 60 HA LEU 60 -7.590 -11.123 20.033 474 1HB LEU 60 2HB LEU 60 -8.606 -9.745 17.524 475 2HB LEU 60 1HB LEU 60 -7.197 -9.219 18.447 476 HG LEU 60 HG LEU 60 -7.548 -11.923 17.116 477 1HD1 LEU 60 1HD1 LEU 60 -6.316 -9.358 16.315 478 2HD1 LEU 60 3HD1 LEU 60 -5.292 -10.775 16.082 479 3HD1 LEU 60 2HD1 LEU 60 -6.878 -10.697 15.317 480 1HD2 LEU 60 1HD2 LEU 60 -5.665 -10.864 19.141 481 2HD2 LEU 60 3HD2 LEU 60 -6.126 -12.531 18.793 482 3HD2 LEU 60 2HD2 LEU 60 -4.918 -11.723 17.792 483 H CYS 61 HN CYS 61 -10.790 -9.911 19.019 484 HA CYS 61 HA CYS 61 -10.810 -7.526 20.595 485 1HB CYS 61 2HB CYS 61 -12.339 -8.044 18.732 486 2HB CYS 61 1HB CYS 61 -13.028 -9.376 19.658 487 H LYS 62 HN LYS 62 -11.317 -10.902 21.407 488 HA LYS 62 HA LYS 62 -12.186 -10.089 24.164 489 1HB LYS 62 2HB LYS 62 -12.561 -12.619 22.524 490 2HB LYS 62 1HB LYS 62 -13.073 -12.453 24.204 491 1HG LYS 62 2HG LYS 62 -14.466 -10.481 23.528 492 2HG LYS 62 1HG LYS 62 -14.034 -10.801 21.849 493 1HD LYS 62 2HD LYS 62 -16.155 -11.861 22.220 494 2HD LYS 62 1HD LYS 62 -14.953 -13.150 22.181 495 1HE LYS 62 2HE LYS 62 -15.591 -13.782 24.262 496 2HE LYS 62 1HE LYS 62 -15.142 -12.179 24.879 497 1HZ LYS 62 2HZ LYS 62 -17.612 -12.458 23.310 498 2HZ LYS 62 1HZ LYS 62 -17.628 -12.976 24.928 499 3HZ LYS 62 3HZ LYS 62 -17.248 -11.365 24.559 500 H GLU 63 HN GLU 63 -9.407 -10.215 23.057 501 HA GLU 63 HA GLU 63 -8.301 -12.407 24.778 502 1HB GLU 63 2HB GLU 63 -7.891 -11.528 22.043 503 2HB GLU 63 1HB GLU 63 -6.374 -11.482 22.940 504 1HG GLU 63 2HG GLU 63 -7.117 -13.704 21.755 505 2HG GLU 63 1HG GLU 63 -6.398 -13.772 23.366 506 HA PRO 64 HA PRO 64 -6.556 -9.187 27.266 507 1HB PRO 64 2HB PRO 64 -4.377 -10.911 28.015 508 2HB PRO 64 1HB PRO 64 -5.818 -10.512 28.954 509 1HG PRO 64 2HG PRO 64 -5.180 -13.006 27.689 510 2HG PRO 64 1HG PRO 64 -6.636 -12.596 28.599 511 1HD PRO 64 2HD PRO 64 -6.366 -12.970 25.740 512 2HD PRO 64 1HD PRO 64 -7.842 -12.604 26.664 513 H ASN 65 HN ASN 65 -4.708 -11.040 24.903 514 HA ASN 65 HA ASN 65 -2.415 -9.213 24.889 515 1HB ASN 65 2HB ASN 65 -3.339 -11.367 22.957 516 2HB ASN 65 1HB ASN 65 -1.725 -10.657 23.012 517 1HD2 ASN 65 1HD2 ASN 65 -2.896 -13.497 23.680 518 2HD2 ASN 65 2HD2 ASN 65 -2.186 -13.856 25.179 519 H ALA 66 HN ALA 66 -5.544 -9.281 23.428 520 HA ALA 66 HA ALA 66 -5.320 -8.117 20.934 521 1HB ALA 66 2HB ALA 66 -7.318 -8.617 22.626 522 2HB ALA 66 3HB ALA 66 -7.524 -7.485 21.289 523 3HB ALA 66 1HB ALA 66 -7.194 -6.882 22.913 524 H GLN 67 HN GLN 67 -4.925 -6.454 24.068 525 HA GLN 67 HA GLN 67 -4.738 -3.786 23.175 526 1HB GLN 67 2HB GLN 67 -4.750 -4.716 25.531 527 2HB GLN 67 1HB GLN 67 -3.047 -5.123 25.309 528 1HG GLN 67 2HG GLN 67 -2.516 -2.767 24.883 529 2HG GLN 67 1HG GLN 67 -4.221 -2.339 25.021 530 1HE2 GLN 67 1HE2 GLN 67 -2.596 -1.028 26.788 531 2HE2 GLN 67 2HE2 GLN 67 -2.733 -1.675 28.351 532 H GLU 68 HN GLU 68 -2.176 -6.282 23.356 533 HA GLU 68 HA GLU 68 -0.144 -4.501 22.227 534 1HB GLU 68 2HB GLU 68 0.304 -6.323 23.860 535 2HB GLU 68 1HB GLU 68 -0.240 -7.505 22.670 536 1HG GLU 68 2HG GLU 68 1.547 -6.738 21.123 537 2HG GLU 68 1HG GLU 68 2.114 -5.618 22.362 538 H ILE 69 HN ILE 69 -2.192 -7.175 21.076 539 HA ILE 69 HA ILE 69 -1.052 -7.453 18.467 540 HB ILE 69 HB ILE 69 -3.877 -7.877 19.501 541 1HG1 ILE 69 2HG1 ILE 69 -1.555 -9.813 19.246 542 2HG1 ILE 69 1HG1 ILE 69 -2.095 -9.085 20.759 543 1HG2 ILE 69 3HG2 ILE 69 -2.516 -8.464 16.921 544 2HG2 ILE 69 2HG2 ILE 69 -3.546 -9.736 17.578 545 3HG2 ILE 69 1HG2 ILE 69 -4.218 -8.139 17.247 546 1HD1 ILE 69 3HD1 ILE 69 -4.393 -10.062 20.279 547 2HD1 ILE 69 2HD1 ILE 69 -3.648 -10.966 18.961 548 3HD1 ILE 69 1HD1 ILE 69 -3.135 -11.250 20.625 549 H LEU 70 HN LEU 70 -4.014 -5.703 19.477 550 HA LEU 70 HA LEU 70 -4.823 -4.520 17.124 551 1HB LEU 70 2HB LEU 70 -5.983 -4.170 19.196 552 2HB LEU 70 1HB LEU 70 -4.576 -3.404 19.929 553 HG LEU 70 HG LEU 70 -6.519 -1.895 19.041 554 1HD1 LEU 70 3HD1 LEU 70 -3.900 -1.446 19.580 555 2HD1 LEU 70 2HD1 LEU 70 -3.947 -0.978 17.880 556 3HD1 LEU 70 1HD1 LEU 70 -5.005 -0.179 19.044 557 1HD2 LEU 70 1HD2 LEU 70 -6.244 -3.233 16.758 558 2HD2 LEU 70 3HD2 LEU 70 -6.676 -1.523 16.761 559 3HD2 LEU 70 2HD2 LEU 70 -5.008 -2.010 16.463 560 H GLN 71 HN GLN 71 -2.595 -2.788 19.352 561 HA GLN 71 HA GLN 71 -1.807 -0.711 17.672 562 1HB GLN 71 2HB GLN 71 -0.137 -2.355 19.600 563 2HB GLN 71 1HB GLN 71 0.284 -0.742 19.026 564 1HG GLN 71 2HG GLN 71 -1.872 0.105 19.973 565 2HG GLN 71 1HG GLN 71 -2.167 -1.500 20.643 566 1HE2 GLN 71 1HE2 GLN 71 -1.151 -2.004 22.624 567 2HE2 GLN 71 2HE2 GLN 71 -0.013 -1.005 23.391 568 H ARG 72 HN ARG 72 -0.129 -3.868 17.959 569 HA ARG 72 HA ARG 72 1.817 -3.483 15.955 570 1HB ARG 72 2HB ARG 72 0.292 -5.934 16.886 571 2HB ARG 72 1HB ARG 72 1.727 -6.013 15.862 572 1HG ARG 72 2HG ARG 72 2.976 -4.722 17.611 573 2HG ARG 72 1HG ARG 72 1.552 -4.820 18.645 574 1HD ARG 72 2HD ARG 72 1.680 -7.338 18.457 575 2HD ARG 72 1HD ARG 72 3.229 -7.135 17.616 576 HE ARG 72 HE ARG 72 2.873 -5.780 20.244 577 1HH1 ARG 72 1HH1 ARG 72 3.496 -8.902 19.352 578 2HH1 ARG 72 2HH1 ARG 72 5.098 -8.982 20.006 579 1HH2 ARG 72 1HH2 ARG 72 5.294 -5.578 20.641 580 2HH2 ARG 72 2HH2 ARG 72 6.116 -7.099 20.736 581 H LEU 73 HN LEU 73 -1.383 -5.066 15.588 582 HA LEU 73 HA LEU 73 -1.353 -5.559 12.836 583 1HB LEU 73 2HB LEU 73 -3.577 -4.580 14.654 584 2HB LEU 73 1HB LEU 73 -3.842 -5.292 13.063 585 HG LEU 73 HG LEU 73 -2.444 -6.653 15.386 586 1HD1 LEU 73 3HD1 LEU 73 -5.216 -6.875 14.204 587 2HD1 LEU 73 2HD1 LEU 73 -4.501 -8.180 15.149 588 3HD1 LEU 73 1HD1 LEU 73 -4.769 -6.601 15.887 589 1HD2 LEU 73 3HD2 LEU 73 -2.300 -7.113 12.592 590 2HD2 LEU 73 2HD2 LEU 73 -1.692 -8.150 13.883 591 3HD2 LEU 73 1HD2 LEU 73 -3.325 -8.384 13.258 592 H GLU 74 HN GLU 74 -2.556 -2.577 14.428 593 HA GLU 74 HA GLU 74 -3.168 -1.076 12.132 594 1HB GLU 74 2HB GLU 74 -1.924 -0.156 14.745 595 2HB GLU 74 1HB GLU 74 -2.859 0.850 13.638 596 1HG GLU 74 2HG GLU 74 -4.787 -0.741 13.946 597 2HG GLU 74 1HG GLU 74 -3.847 -1.551 15.197 598 H GLU 75 HN GLU 75 -0.015 -1.331 13.831 599 HA GLU 75 HA GLU 75 1.451 0.494 12.236 600 1HB GLU 75 2HB GLU 75 2.134 -0.616 14.377 601 2HB GLU 75 1HB GLU 75 2.363 -2.119 13.483 602 1HG GLU 75 2HG GLU 75 4.012 -0.947 12.017 603 2HG GLU 75 1HG GLU 75 3.833 0.494 13.017 604 H ILE 76 HN ILE 76 1.229 -3.074 11.853 605 HA ILE 76 HA ILE 76 2.687 -3.236 9.413 606 HB ILE 76 HB ILE 76 0.376 -4.918 10.443 607 1HG1 ILE 76 2HG1 ILE 76 2.059 -4.756 12.158 608 2HG1 ILE 76 1HG1 ILE 76 2.278 -6.317 11.368 609 1HG2 ILE 76 2HG2 ILE 76 1.306 -5.162 8.000 610 2HG2 ILE 76 1HG2 ILE 76 2.688 -5.911 8.798 611 3HG2 ILE 76 3HG2 ILE 76 1.079 -6.607 8.984 612 1HD1 ILE 76 1HD1 ILE 76 4.051 -5.330 9.941 613 2HD1 ILE 76 3HD1 ILE 76 3.848 -3.790 10.777 614 3HD1 ILE 76 2HD1 ILE 76 4.447 -5.197 11.655 615 H ALA 77 HN ALA 77 -0.745 -2.618 10.055 616 HA ALA 77 HA ALA 77 -1.760 -2.806 7.405 617 1HB ALA 77 1HB ALA 77 -2.822 -2.388 9.800 618 2HB ALA 77 2HB ALA 77 -3.642 -1.796 8.355 619 3HB ALA 77 3HB ALA 77 -2.675 -0.694 9.335 620 H GLU 78 HN GLU 78 -0.032 -0.213 9.074 621 HA GLU 78 HA GLU 78 -0.463 1.910 7.232 622 1HB GLU 78 2HB GLU 78 0.533 2.050 9.510 623 2HB GLU 78 1HB GLU 78 1.978 1.238 8.907 624 1HG GLU 78 2HG GLU 78 2.291 3.080 7.260 625 2HG GLU 78 1HG GLU 78 0.891 3.904 7.948 626 H ASP 79 HN ASP 79 2.002 -0.674 7.262 627 HA ASP 79 HA ASP 79 2.498 -0.133 4.374 628 1HB ASP 79 2HB ASP 79 4.724 -0.438 6.402 629 2HB ASP 79 1HB ASP 79 4.853 0.112 4.731 630 HA PRO 80 HA PRO 80 2.527 -4.512 4.026 631 1HB PRO 80 2HB PRO 80 4.734 -4.519 2.182 632 2HB PRO 80 1HB PRO 80 3.012 -4.652 1.819 633 1HG PRO 80 2HG PRO 80 4.756 -2.410 1.348 634 2HG PRO 80 1HG PRO 80 3.043 -2.560 0.949 635 1HD PRO 80 2HD PRO 80 4.229 -0.936 3.005 636 2HD PRO 80 1HD PRO 80 2.499 -1.135 2.643 637 H GLY 81 HN GLY 81 5.916 -3.305 3.822 638 1HA GLY 81 1HA GLY 81 6.617 -4.704 6.293 639 2HA GLY 81 2HA GLY 81 7.722 -3.783 5.273 640 H THR 82 HN THR 82 7.669 -6.671 6.432 641 HA THR 82 HA THR 82 8.919 -7.903 4.082 642 HB THR 82 HB THR 82 9.495 -9.635 5.708 643 HG1 THR 82 1HG THR 82 8.626 -9.328 7.872 644 1HG2 THR 82 2HG2 THR 82 9.833 -6.761 6.289 645 2HG2 THR 82 1HG2 THR 82 10.130 -7.830 7.660 646 3HG2 THR 82 3HG2 THR 82 11.046 -8.036 6.166 647 H CYS 83 HN CYS 83 5.819 -7.975 5.657 648 HA CYS 83 HA CYS 83 4.840 -10.537 4.986 649 1HB CYS 83 2HB CYS 83 3.751 -8.723 6.355 650 2HB CYS 83 1HB CYS 83 3.370 -7.884 4.851 651 H GLU 84 HN GLU 84 4.567 -7.536 3.048 652 HA GLU 84 HA GLU 84 3.383 -8.698 0.746 653 1HB GLU 84 2HB GLU 84 3.570 -6.284 1.338 654 2HB GLU 84 1HB GLU 84 5.292 -6.353 0.968 655 1HG GLU 84 2HG GLU 84 4.706 -7.115 -1.348 656 2HG GLU 84 1HG GLU 84 3.004 -6.868 -0.956 657 H ILE 85 HN ILE 85 6.787 -8.587 1.750 658 HA ILE 85 HA ILE 85 7.622 -9.638 -0.906 659 HB ILE 85 HB ILE 85 9.841 -9.079 -0.143 660 1HG1 ILE 85 2HG1 ILE 85 8.534 -8.889 2.578 661 2HG1 ILE 85 1HG1 ILE 85 9.828 -9.980 2.085 662 1HG2 ILE 85 1HG2 ILE 85 8.362 -7.177 -0.764 663 2HG2 ILE 85 3HG2 ILE 85 7.899 -7.011 0.929 664 3HG2 ILE 85 2HG2 ILE 85 9.567 -6.715 0.438 665 1HD1 ILE 85 3HD1 ILE 85 11.108 -7.754 1.525 666 2HD1 ILE 85 2HD1 ILE 85 9.940 -7.025 2.626 667 3HD1 ILE 85 1HD1 ILE 85 11.015 -8.299 3.200 668 H CYS 86 HN CYS 86 6.202 -11.070 1.557 669 HA CYS 86 HA CYS 86 6.246 -13.253 2.459 670 1HB CYS 86 2HB CYS 86 8.044 -13.635 0.045 671 2HB CYS 86 1HB CYS 86 7.182 -14.913 0.902 672 H ALA 87 HN ALA 87 8.658 -11.215 2.857 673 HA ALA 87 HA ALA 87 11.005 -12.782 3.350 674 1HB ALA 87 1HB ALA 87 11.122 -10.678 5.108 675 2HB ALA 87 2HB ALA 87 9.912 -10.105 3.961 676 3HB ALA 87 3HB ALA 87 11.519 -10.557 3.394 677 H TYR 88 HN TYR 88 7.994 -12.680 4.975 678 HA TYR 88 HA TYR 88 9.094 -14.366 7.161 679 1HB TYR 88 2HB TYR 88 7.877 -11.632 7.387 680 2HB TYR 88 1HB TYR 88 7.591 -12.796 8.681 681 HD1 TYR 88 HD1 TYR 88 9.530 -13.810 9.901 682 HD2 TYR 88 HD2 TYR 88 10.025 -10.620 7.072 683 HE1 TYR 88 HE1 TYR 88 11.794 -13.357 10.807 684 HE2 TYR 88 HE2 TYR 88 12.287 -10.165 7.976 685 HH TYR 88 HH TYR 88 13.346 -10.977 10.765 686 H ALA 89 HN ALA 89 7.152 -15.154 8.552 687 HA ALA 89 HA ALA 89 5.159 -16.308 6.765 688 1HB ALA 89 1HB ALA 89 6.327 -17.244 8.889 689 2HB ALA 89 3HB ALA 89 5.121 -16.317 9.784 690 3HB ALA 89 2HB ALA 89 4.610 -17.591 8.677 691 H ALA 90 HN ALA 90 5.345 -13.254 7.984 692 HA ALA 90 HA ALA 90 2.805 -12.750 9.177 693 1HB ALA 90 1HB ALA 90 4.996 -11.260 7.848 694 2HB ALA 90 2HB ALA 90 4.202 -10.949 9.392 695 3HB ALA 90 3HB ALA 90 3.439 -10.435 7.887 696 H CYS 91 HN CYS 91 3.793 -12.953 5.773 697 HA CYS 91 HA CYS 91 0.993 -12.307 4.945 698 1HB CYS 91 2HB CYS 91 3.652 -11.717 4.001 699 2HB CYS 91 1HB CYS 91 2.751 -12.551 2.735 700 H THR 92 HN THR 92 -0.279 -14.002 4.333 701 HA THR 92 HA THR 92 1.045 -16.591 3.607 702 HB THR 92 HB THR 92 -0.976 -17.612 4.452 703 HG1 THR 92 1HG THR 92 -1.940 -15.037 4.066 704 1HG2 THR 92 2HG2 THR 92 -0.088 -15.284 6.173 705 2HG2 THR 92 1HG2 THR 92 -1.101 -16.607 6.752 706 3HG2 THR 92 3HG2 THR 92 0.544 -16.931 6.205 707 H GLY 93 HN GLY 93 0.211 -17.740 1.755 708 1HA GLY 93 1HA GLY 93 -1.697 -16.263 0.019 709 2HA GLY 93 2HA GLY 93 -1.250 -17.958 -0.166 710 H CYS 94 HN CYS 94 1.317 -15.728 0.455 711 HA CYS 94 HA CYS 94 1.914 -14.937 -2.248 712 1HB CYS 94 2HB CYS 94 2.702 -14.055 0.075 713 2HB CYS 94 1HB CYS 94 3.924 -15.323 -0.030 No H/Q in entry = 713 Start of MODEL 12 1 H1 VAL 1 3H VAL 1 -3.099 -11.582 -0.006 2 H2 VAL 1 2H VAL 1 -1.874 -12.363 -0.885 3 H3 VAL 1 1H VAL 1 -2.723 -13.201 0.323 4 HA VAL 1 HA VAL 1 -0.751 -12.681 1.409 5 HB VAL 1 HB VAL 1 0.152 -10.284 1.022 6 1HG1 VAL 1 2HG1 VAL 1 0.883 -12.530 -0.072 7 2HG1 VAL 1 1HG1 VAL 1 0.029 -11.935 -1.497 8 3HG1 VAL 1 3HG1 VAL 1 1.390 -11.026 -0.840 9 1HG2 VAL 1 1HG2 VAL 1 -2.278 -9.905 -0.166 10 2HG2 VAL 1 3HG2 VAL 1 -0.851 -8.927 -0.513 11 3HG2 VAL 1 2HG2 VAL 1 -1.274 -10.276 -1.569 12 H THR 2 HN THR 2 -1.875 -12.742 3.386 13 HA THR 2 HA THR 2 -3.131 -10.161 4.265 14 HB THR 2 HB THR 2 -4.635 -12.171 3.796 15 HG1 THR 2 1HG THR 2 -5.553 -11.949 6.055 16 1HG2 THR 2 2HG2 THR 2 -2.767 -13.644 5.009 17 2HG2 THR 2 1HG2 THR 2 -3.759 -13.278 6.422 18 3HG2 THR 2 3HG2 THR 2 -4.470 -14.105 5.036 19 H VAL 3 HN VAL 3 -3.005 -9.791 6.612 20 HA VAL 3 HA VAL 3 -0.410 -10.689 7.731 21 HB VAL 3 HB VAL 3 -2.498 -8.638 8.536 22 1HG1 VAL 3 3HG1 VAL 3 -0.226 -9.772 9.991 23 2HG1 VAL 3 2HG1 VAL 3 -0.116 -8.020 9.823 24 3HG1 VAL 3 1HG1 VAL 3 -1.534 -8.746 10.580 25 1HG2 VAL 3 3HG2 VAL 3 -1.115 -8.239 6.452 26 2HG2 VAL 3 2HG2 VAL 3 -0.921 -7.016 7.707 27 3HG2 VAL 3 1HG2 VAL 3 0.316 -8.253 7.483 28 H GLN 4 HN GLN 4 -0.422 -12.479 9.048 29 HA GLN 4 HA GLN 4 -2.962 -13.152 10.485 30 1HB GLN 4 2HB GLN 4 -0.564 -14.886 9.826 31 2HB GLN 4 1HB GLN 4 -2.142 -15.434 10.391 32 1HG GLN 4 2HG GLN 4 -3.060 -14.220 8.276 33 2HG GLN 4 1HG GLN 4 -1.393 -14.295 7.706 34 1HE2 GLN 4 1HE2 GLN 4 -3.761 -15.803 6.649 35 2HE2 GLN 4 2HE2 GLN 4 -3.362 -17.447 6.798 36 H ASP 5 HN ASP 5 -2.938 -13.204 12.706 37 HA ASP 5 HA ASP 5 -0.337 -12.661 14.080 38 1HB ASP 5 2HB ASP 5 -3.242 -12.325 14.902 39 2HB ASP 5 1HB ASP 5 -1.859 -11.884 15.905 40 H GLY 6 HN GLY 6 -1.939 -15.275 13.161 41 1HA GLY 6 1HA GLY 6 -2.509 -16.751 15.542 42 2HA GLY 6 2HA GLY 6 -0.842 -17.064 15.052 43 H ASN 7 HN ASN 7 -3.660 -18.522 14.884 44 HA ASN 7 HA ASN 7 -3.018 -19.875 12.335 45 1HB ASN 7 2HB ASN 7 -5.050 -20.358 14.536 46 2HB ASN 7 1HB ASN 7 -4.770 -21.451 13.181 47 1HD2 ASN 7 1HD2 ASN 7 -4.317 -22.368 15.821 48 2HD2 ASN 7 2HD2 ASN 7 -2.650 -22.578 16.058 49 H PHE 8 HN PHE 8 -4.610 -17.108 12.887 50 HA PHE 8 HA PHE 8 -6.873 -17.756 11.025 51 1HB PHE 8 2HB PHE 8 -6.505 -15.548 13.078 52 2HB PHE 8 1HB PHE 8 -7.943 -15.778 12.084 53 HD1 PHE 8 HD1 PHE 8 -9.397 -17.754 12.404 54 HD2 PHE 8 HD2 PHE 8 -6.014 -17.010 14.946 55 HE1 PHE 8 HE1 PHE 8 -10.269 -19.394 14.047 56 HE2 PHE 8 HE2 PHE 8 -6.886 -18.651 16.588 57 HZ PHE 8 HZ PHE 8 -9.014 -19.844 16.138 58 H SER 9 HN SER 9 -7.300 -16.193 9.327 59 HA SER 9 HA SER 9 -4.872 -14.648 8.514 60 1HB SER 9 2HB SER 9 -5.718 -14.955 6.278 61 2HB SER 9 1HB SER 9 -5.902 -16.502 7.101 62 HG SER 9 HG SER 9 -7.813 -14.704 6.236 63 H PHE 10 HN PHE 10 -5.001 -12.455 8.818 64 HA PHE 10 HA PHE 10 -7.722 -11.186 8.811 65 1HB PHE 10 2HB PHE 10 -5.168 -10.429 10.267 66 2HB PHE 10 1HB PHE 10 -6.716 -9.595 10.413 67 HD1 PHE 10 HD1 PHE 10 -8.414 -12.196 10.218 68 HD2 PHE 10 HD2 PHE 10 -5.018 -11.079 12.602 69 HE1 PHE 10 HE1 PHE 10 -9.116 -13.801 11.974 70 HE2 PHE 10 HE2 PHE 10 -5.721 -12.684 14.355 71 HZ PHE 10 HZ PHE 10 -7.770 -14.045 14.042 72 H SER 11 HN SER 11 -8.031 -9.688 7.203 73 HA SER 11 HA SER 11 -5.951 -9.031 5.304 74 1HB SER 11 2HB SER 11 -8.672 -7.787 5.831 75 2HB SER 11 1HB SER 11 -7.741 -7.640 4.340 76 HG SER 11 HG SER 11 -9.431 -9.545 5.015 77 H LEU 12 HN LEU 12 -5.337 -6.716 4.818 78 HA LEU 12 HA LEU 12 -4.663 -5.298 7.342 79 1HB LEU 12 2HB LEU 12 -3.775 -4.991 4.455 80 2HB LEU 12 1HB LEU 12 -3.094 -4.101 5.817 81 HG LEU 12 HG LEU 12 -2.600 -6.387 6.868 82 1HD1 LEU 12 1HD1 LEU 12 -3.591 -7.156 4.149 83 2HD1 LEU 12 3HD1 LEU 12 -2.267 -8.085 4.851 84 3HD1 LEU 12 2HD1 LEU 12 -3.811 -7.977 5.695 85 1HD2 LEU 12 3HD2 LEU 12 -0.872 -4.947 5.821 86 2HD2 LEU 12 2HD2 LEU 12 -0.537 -6.658 5.558 87 3HD2 LEU 12 1HD2 LEU 12 -1.221 -5.684 4.257 88 H GLU 13 HN GLU 13 -6.986 -5.155 4.876 89 HA GLU 13 HA GLU 13 -7.272 -2.295 4.580 90 1HB GLU 13 2HB GLU 13 -8.089 -4.096 3.032 91 2HB GLU 13 1HB GLU 13 -9.315 -4.508 4.230 92 1HG GLU 13 2HG GLU 13 -10.166 -2.168 4.115 93 2HG GLU 13 1HG GLU 13 -8.987 -1.826 2.850 94 H SER 14 HN SER 14 -9.666 -4.489 6.098 95 HA SER 14 HA SER 14 -11.172 -2.644 7.500 96 1HB SER 14 2HB SER 14 -10.224 -5.260 8.687 97 2HB SER 14 1HB SER 14 -11.793 -4.485 8.899 98 HG SER 14 HG SER 14 -11.800 -6.215 7.362 99 H VAL 15 HN VAL 15 -8.180 -4.191 8.740 100 HA VAL 15 HA VAL 15 -8.115 -2.846 11.241 101 HB VAL 15 HB VAL 15 -5.638 -3.403 11.043 102 1HG1 VAL 15 2HG1 VAL 15 -7.807 -4.961 11.552 103 2HG1 VAL 15 1HG1 VAL 15 -7.105 -5.834 10.186 104 3HG1 VAL 15 3HG1 VAL 15 -6.146 -5.552 11.639 105 1HG2 VAL 15 1HG2 VAL 15 -6.528 -3.767 8.254 106 2HG2 VAL 15 3HG2 VAL 15 -4.909 -3.480 8.891 107 3HG2 VAL 15 2HG2 VAL 15 -5.582 -5.111 8.893 108 H LYS 16 HN LYS 16 -6.566 -1.931 8.126 109 HA LYS 16 HA LYS 16 -5.314 0.457 9.021 110 1HB LYS 16 2HB LYS 16 -4.891 -0.514 6.836 111 2HB LYS 16 1HB LYS 16 -6.589 -0.349 6.385 112 1HG LYS 16 2HG LYS 16 -6.319 2.155 6.688 113 2HG LYS 16 1HG LYS 16 -4.584 1.875 6.847 114 1HD LYS 16 2HD LYS 16 -4.486 0.896 4.625 115 2HD LYS 16 1HD LYS 16 -6.241 0.977 4.471 116 1HE LYS 16 2HE LYS 16 -5.011 3.570 5.139 117 2HE LYS 16 1HE LYS 16 -4.510 2.923 3.564 118 1HZ LYS 16 3HZ LYS 16 -7.324 2.643 4.309 119 2HZ LYS 16 2HZ LYS 16 -6.797 4.202 3.888 120 3HZ LYS 16 1HZ LYS 16 -6.634 2.922 2.784 121 H LYS 17 HN LYS 17 -8.511 0.090 7.439 122 HA LYS 17 HA LYS 17 -9.314 2.813 8.172 123 1HB LYS 17 2HB LYS 17 -9.935 1.495 6.082 124 2HB LYS 17 1HB LYS 17 -10.961 0.497 7.110 125 1HG LYS 17 2HG LYS 17 -12.426 2.159 6.282 126 2HG LYS 17 1HG LYS 17 -12.003 2.731 7.896 127 1HD LYS 17 2HD LYS 17 -10.335 4.240 6.978 128 2HD LYS 17 1HD LYS 17 -10.584 3.588 5.358 129 1HE LYS 17 2HE LYS 17 -13.088 4.488 6.591 130 2HE LYS 17 1HE LYS 17 -11.904 5.795 6.405 131 1HZ LYS 17 3HZ LYS 17 -11.515 4.967 4.114 132 2HZ LYS 17 2HZ LYS 17 -12.802 3.876 4.315 133 3HZ LYS 17 1HZ LYS 17 -13.091 5.550 4.347 134 H LEU 18 HN LEU 18 -8.810 0.279 10.079 135 HA LEU 18 HA LEU 18 -11.179 -0.364 11.461 136 1HB LEU 18 2HB LEU 18 -8.953 -1.423 11.669 137 2HB LEU 18 1HB LEU 18 -8.337 0.028 12.456 138 HG LEU 18 HG LEU 18 -9.911 -0.279 14.309 139 1HD1 LEU 18 3HD1 LEU 18 -11.227 -1.950 12.390 140 2HD1 LEU 18 2HD1 LEU 18 -10.824 -2.931 13.799 141 3HD1 LEU 18 1HD1 LEU 18 -11.794 -1.471 13.990 142 1HD2 LEU 18 2HD2 LEU 18 -7.654 -1.678 13.949 143 2HD2 LEU 18 1HD2 LEU 18 -8.691 -1.948 15.349 144 3HD2 LEU 18 3HD2 LEU 18 -8.787 -3.031 13.960 145 H LYS 19 HN LYS 19 -8.881 2.326 12.063 146 HA LYS 19 HA LYS 19 -10.118 3.399 14.375 147 1HB LYS 19 2HB LYS 19 -7.917 4.032 13.385 148 2HB LYS 19 1HB LYS 19 -8.770 4.860 12.082 149 1HG LYS 19 2HG LYS 19 -9.862 6.336 13.733 150 2HG LYS 19 1HG LYS 19 -9.015 5.505 15.037 151 1HD LYS 19 2HD LYS 19 -6.844 6.161 13.975 152 2HD LYS 19 1HD LYS 19 -7.751 7.096 12.786 153 1HE LYS 19 2HE LYS 19 -7.844 8.829 14.243 154 2HE LYS 19 1HE LYS 19 -8.704 7.801 15.405 155 1HZ LYS 19 3HZ LYS 19 -6.293 6.790 15.652 156 2HZ LYS 19 2HZ LYS 19 -5.834 8.351 15.162 157 3HZ LYS 19 1HZ LYS 19 -6.778 8.138 16.559 158 H ASP 20 HN ASP 20 -10.737 4.164 10.934 159 HA ASP 20 HA ASP 20 -13.188 5.662 11.768 160 1HB ASP 20 2HB ASP 20 -11.430 6.770 10.380 161 2HB ASP 20 1HB ASP 20 -11.689 5.553 9.130 162 H LEU 21 HN LEU 21 -15.099 4.558 11.536 163 HA LEU 21 HA LEU 21 -15.226 2.025 10.086 164 1HB LEU 21 2HB LEU 21 -17.327 3.779 11.403 165 2HB LEU 21 1HB LEU 21 -17.582 2.112 10.881 166 HG LEU 21 HG LEU 21 -15.437 2.941 12.855 167 1HD1 LEU 21 1HD1 LEU 21 -18.229 2.859 13.263 168 2HD1 LEU 21 3HD1 LEU 21 -17.598 1.370 13.966 169 3HD1 LEU 21 2HD1 LEU 21 -16.976 2.931 14.503 170 1HD2 LEU 21 3HD2 LEU 21 -16.255 0.442 11.524 171 2HD2 LEU 21 2HD2 LEU 21 -14.719 0.863 12.283 172 3HD2 LEU 21 1HD2 LEU 21 -16.065 0.300 13.272 173 H GLN 22 HN GLN 22 -16.071 1.701 8.036 174 HA GLN 22 HA GLN 22 -16.869 4.143 6.506 175 1HB GLN 22 2HB GLN 22 -14.918 2.813 5.754 176 2HB GLN 22 1HB GLN 22 -15.948 1.388 5.625 177 1HG GLN 22 2HG GLN 22 -17.328 2.516 3.935 178 2HG GLN 22 1HG GLN 22 -16.344 3.972 4.086 179 1HE2 GLN 22 1HE2 GLN 22 -14.125 1.573 4.489 180 2HE2 GLN 22 2HE2 GLN 22 -13.652 1.330 2.878 181 H GLU 23 HN GLU 23 -19.042 4.365 6.173 182 HA GLU 23 HA GLU 23 -21.072 2.570 6.872 183 1HB GLU 23 2HB GLU 23 -20.712 4.973 5.234 184 2HB GLU 23 1HB GLU 23 -22.049 3.967 4.677 185 1HG GLU 23 2HG GLU 23 -23.215 5.080 6.295 186 2HG GLU 23 1HG GLU 23 -22.468 3.893 7.364 187 HA PRO 24 HA PRO 24 -21.145 1.059 2.231 188 1HB PRO 24 2HB PRO 24 -18.473 1.463 1.240 189 2HB PRO 24 1HB PRO 24 -19.978 2.157 0.633 190 1HG PRO 24 2HG PRO 24 -17.878 3.472 2.103 191 2HG PRO 24 1HG PRO 24 -19.360 4.177 1.453 192 1HD PRO 24 2HD PRO 24 -18.720 3.691 4.207 193 2HD PRO 24 1HD PRO 24 -20.247 4.319 3.547 194 H GLN 25 HN GLN 25 -20.536 -1.107 1.699 195 HA GLN 25 HA GLN 25 -18.988 -2.508 3.764 196 1HB GLN 25 2HB GLN 25 -20.409 -3.405 1.236 197 2HB GLN 25 1HB GLN 25 -19.794 -4.486 2.486 198 1HG GLN 25 2HG GLN 25 -21.286 -3.472 4.140 199 2HG GLN 25 1HG GLN 25 -21.853 -2.305 2.944 200 1HE2 GLN 25 1HE2 GLN 25 -23.681 -4.096 4.221 201 2HE2 GLN 25 2HE2 GLN 25 -24.259 -5.195 3.063 202 H GLU 26 HN GLU 26 -17.174 -0.867 2.539 203 HA GLU 26 HA GLU 26 -15.120 -0.875 1.365 204 1HB GLU 26 2HB GLU 26 -15.700 -3.679 2.246 205 2HB GLU 26 1HB GLU 26 -14.313 -3.411 1.191 206 1HG GLU 26 2HG GLU 26 -13.114 -2.634 2.928 207 2HG GLU 26 1HG GLU 26 -14.327 -1.389 3.229 208 HA PRO 27 HA PRO 27 -17.484 -1.966 -2.537 209 1HB PRO 27 2HB PRO 27 -16.664 0.623 -3.493 210 2HB PRO 27 1HB PRO 27 -18.296 0.073 -3.107 211 1HG PRO 27 2HG PRO 27 -16.676 1.932 -1.642 212 2HG PRO 27 1HG PRO 27 -18.296 1.359 -1.240 213 1HD PRO 27 2HD PRO 27 -15.796 0.696 0.061 214 2HD PRO 27 1HD PRO 27 -17.435 0.155 0.494 215 H ARG 28 HN ARG 28 -16.449 -2.519 -4.543 216 HA ARG 28 HA ARG 28 -14.580 -3.290 -5.788 217 1HB ARG 28 2HB ARG 28 -13.843 -0.462 -4.971 218 2HB ARG 28 1HB ARG 28 -13.009 -1.369 -6.234 219 1HG ARG 28 2HG ARG 28 -15.224 -1.650 -7.395 220 2HG ARG 28 1HG ARG 28 -15.934 -0.571 -6.195 221 1HD ARG 28 2HD ARG 28 -13.653 0.134 -8.081 222 2HD ARG 28 1HD ARG 28 -15.323 0.720 -8.198 223 HE ARG 28 HE ARG 28 -14.842 1.534 -5.732 224 1HH1 ARG 28 1HH1 ARG 28 -13.960 3.196 -8.206 225 2HH1 ARG 28 2HH1 ARG 28 -12.379 3.686 -7.694 226 1HH2 ARG 28 1HH2 ARG 28 -12.209 1.375 -5.114 227 2HH2 ARG 28 2HH2 ARG 28 -11.387 2.654 -5.944 228 H VAL 29 HN VAL 29 -11.896 -2.989 -5.582 229 HA VAL 29 HA VAL 29 -11.266 -3.884 -2.786 230 HB VAL 29 HB VAL 29 -11.259 -5.641 -4.555 231 1HG1 VAL 29 3HG1 VAL 29 -10.643 -4.133 -6.431 232 2HG1 VAL 29 2HG1 VAL 29 -9.028 -3.962 -5.743 233 3HG1 VAL 29 1HG1 VAL 29 -9.572 -5.531 -6.337 234 1HG2 VAL 29 2HG2 VAL 29 -8.534 -4.877 -3.460 235 2HG2 VAL 29 1HG2 VAL 29 -9.741 -5.875 -2.647 236 3HG2 VAL 29 3HG2 VAL 29 -8.950 -6.463 -4.110 237 H GLY 30 HN GLY 30 -9.566 -2.833 -1.787 238 1HA GLY 30 1HA GLY 30 -8.253 -0.814 -1.563 239 2HA GLY 30 2HA GLY 30 -8.225 -0.672 -3.321 240 H LYS 31 HN LYS 31 -6.637 -1.817 -4.487 241 HA LYS 31 HA LYS 31 -4.990 -3.909 -3.481 242 1HB LYS 31 2HB LYS 31 -4.537 -1.774 -5.588 243 2HB LYS 31 1HB LYS 31 -3.537 -3.216 -5.409 244 1HG LYS 31 2HG LYS 31 -5.581 -4.620 -5.714 245 2HG LYS 31 1HG LYS 31 -6.510 -3.150 -6.008 246 1HD LYS 31 2HD LYS 31 -4.980 -2.611 -7.907 247 2HD LYS 31 1HD LYS 31 -4.159 -4.150 -7.645 248 1HE LYS 31 2HE LYS 31 -5.778 -5.273 -8.772 249 2HE LYS 31 1HE LYS 31 -7.054 -4.502 -7.810 250 1HZ LYS 31 3HZ LYS 31 -6.434 -2.423 -9.170 251 2HZ LYS 31 2HZ LYS 31 -5.722 -3.517 -10.258 252 3HZ LYS 31 1HZ LYS 31 -7.384 -3.612 -9.918 253 H LEU 32 HN LEU 32 -4.716 -0.395 -3.218 254 HA LEU 32 HA LEU 32 -2.021 -0.605 -1.997 255 1HB LEU 32 2HB LEU 32 -3.824 1.772 -2.553 256 2HB LEU 32 1HB LEU 32 -2.106 1.838 -2.160 257 HG LEU 32 HG LEU 32 -3.337 0.551 -4.617 258 1HD1 LEU 32 3HD1 LEU 32 -1.767 3.081 -4.116 259 2HD1 LEU 32 2HD1 LEU 32 -1.820 2.330 -5.711 260 3HD1 LEU 32 1HD1 LEU 32 -3.308 2.897 -4.954 261 1HD2 LEU 32 2HD2 LEU 32 -0.684 0.332 -3.326 262 2HD2 LEU 32 1HD2 LEU 32 -1.481 -0.765 -4.454 263 3HD2 LEU 32 3HD2 LEU 32 -0.645 0.666 -5.056 264 H ARG 33 HN ARG 33 -1.675 -0.399 0.201 265 HA ARG 33 HA ARG 33 -3.943 0.496 1.932 266 1HB ARG 33 2HB ARG 33 -2.268 -2.020 2.242 267 2HB ARG 33 1HB ARG 33 -3.504 -1.475 3.376 268 1HG ARG 33 2HG ARG 33 -5.190 -1.600 1.542 269 2HG ARG 33 1HG ARG 33 -3.943 -2.245 0.475 270 1HD ARG 33 2HD ARG 33 -3.595 -4.112 2.160 271 2HD ARG 33 1HD ARG 33 -5.040 -3.520 3.003 272 HE ARG 33 HE ARG 33 -6.226 -3.813 0.751 273 1HH1 ARG 33 1HH1 ARG 33 -3.378 -4.674 -0.326 274 2HH1 ARG 33 2HH1 ARG 33 -3.676 -6.364 -0.563 275 1HH2 ARG 33 1HH2 ARG 33 -6.619 -6.373 1.271 276 2HH2 ARG 33 2HH2 ARG 33 -5.510 -7.326 0.341 277 H ASN 34 HN ASN 34 -2.850 2.404 2.574 278 HA ASN 34 HA ASN 34 -0.382 1.958 4.199 279 1HB ASN 34 2HB ASN 34 -0.849 4.105 2.105 280 2HB ASN 34 1HB ASN 34 0.585 3.973 3.124 281 1HD2 ASN 34 1HD2 ASN 34 0.047 3.571 0.059 282 2HD2 ASN 34 2HD2 ASN 34 0.819 2.096 -0.273 283 H PHE 35 HN PHE 35 0.097 4.154 5.417 284 HA PHE 35 HA PHE 35 -0.644 5.751 6.991 285 1HB PHE 35 2HB PHE 35 -1.587 6.655 4.836 286 2HB PHE 35 1HB PHE 35 -3.084 5.791 5.187 287 HD1 PHE 35 HD1 PHE 35 -0.800 8.466 6.369 288 HD2 PHE 35 HD2 PHE 35 -4.634 6.586 6.837 289 HE1 PHE 35 HE1 PHE 35 -1.536 10.332 7.827 290 HE2 PHE 35 HE2 PHE 35 -5.370 8.453 8.295 291 HZ PHE 35 HZ PHE 35 -3.821 10.326 8.790 292 H ALA 36 HN ALA 36 -0.876 3.447 8.170 293 HA ALA 36 HA ALA 36 -3.626 2.610 8.734 294 1HB ALA 36 3HB ALA 36 -2.416 0.770 9.226 295 2HB ALA 36 1HB ALA 36 -1.766 1.607 10.636 296 3HB ALA 36 2HB ALA 36 -0.921 1.692 9.092 297 HA PRO 37 HA PRO 37 -4.577 4.989 12.294 298 1HB PRO 37 2HB PRO 37 -4.940 2.786 14.108 299 2HB PRO 37 1HB PRO 37 -6.175 3.689 13.230 300 1HG PRO 37 2HG PRO 37 -5.309 1.001 12.761 301 2HG PRO 37 1HG PRO 37 -6.509 1.921 11.851 302 1HD PRO 37 2HD PRO 37 -3.824 1.178 11.038 303 2HD PRO 37 1HD PRO 37 -5.064 2.033 10.091 304 H ILE 38 HN ILE 38 -1.871 2.929 12.284 305 HA ILE 38 HA ILE 38 0.173 3.074 13.469 306 HB ILE 38 HB ILE 38 -1.097 5.386 14.945 307 1HG1 ILE 38 2HG1 ILE 38 0.283 6.342 12.667 308 2HG1 ILE 38 1HG1 ILE 38 -0.801 5.076 12.091 309 1HG2 ILE 38 1HG2 ILE 38 1.240 4.493 15.476 310 2HG2 ILE 38 3HG2 ILE 38 1.712 5.057 13.872 311 3HG2 ILE 38 2HG2 ILE 38 1.141 6.209 15.080 312 1HD1 ILE 38 3HD1 ILE 38 -2.000 6.898 14.081 313 2HD1 ILE 38 2HD1 ILE 38 -1.563 7.669 12.557 314 3HD1 ILE 38 1HD1 ILE 38 -2.666 6.293 12.564 315 HA PRO 39 HA PRO 39 -0.928 0.590 16.971 316 1HB PRO 39 2HB PRO 39 1.733 0.865 18.026 317 2HB PRO 39 1HB PRO 39 1.044 -0.507 17.155 318 1HG PRO 39 2HG PRO 39 2.993 1.384 16.215 319 2HG PRO 39 1HG PRO 39 2.311 0.007 15.348 320 1HD PRO 39 2HD PRO 39 1.802 2.811 14.894 321 2HD PRO 39 1HD PRO 39 1.103 1.422 14.029 322 H GLY 40 HN GLY 40 -0.895 0.808 19.401 323 1HA GLY 40 1HA GLY 40 -0.436 3.607 20.322 324 2HA GLY 40 2HA GLY 40 -0.506 2.197 21.379 325 H GLU 41 HN GLU 41 -2.889 1.783 19.123 326 HA GLU 41 HA GLU 41 -4.938 2.982 20.952 327 1HB GLU 41 2HB GLU 41 -4.249 3.655 18.249 328 2HB GLU 41 1HB GLU 41 -5.867 2.953 18.253 329 1HG GLU 41 2HG GLU 41 -6.655 4.560 19.847 330 2HG GLU 41 1HG GLU 41 -5.019 5.116 20.193 331 HA PRO 42 HA PRO 42 -5.577 -1.585 20.199 332 1HB PRO 42 2HB PRO 42 -6.503 -1.663 22.922 333 2HB PRO 42 1HB PRO 42 -5.039 -2.386 22.251 334 1HG PRO 42 2HG PRO 42 -5.246 -0.103 23.982 335 2HG PRO 42 1HG PRO 42 -3.782 -0.824 23.309 336 1HD PRO 42 2HD PRO 42 -5.017 1.685 22.586 337 2HD PRO 42 1HD PRO 42 -3.539 0.960 21.909 338 H VAL 43 HN VAL 43 -7.630 -2.445 19.718 339 HA VAL 43 HA VAL 43 -9.958 -0.649 20.275 340 HB VAL 43 HB VAL 43 -10.891 -1.635 18.242 341 1HG1 VAL 43 1HG1 VAL 43 -9.122 0.192 18.113 342 2HG1 VAL 43 3HG1 VAL 43 -7.957 -1.078 17.740 343 3HG1 VAL 43 2HG1 VAL 43 -9.310 -0.776 16.652 344 1HG2 VAL 43 1HG2 VAL 43 -9.338 -3.829 18.935 345 2HG2 VAL 43 3HG2 VAL 43 -10.229 -3.641 17.425 346 3HG2 VAL 43 2HG2 VAL 43 -8.524 -3.194 17.505 347 H VAL 44 HN VAL 44 -9.227 -2.304 22.372 348 HA VAL 44 HA VAL 44 -11.579 -4.104 22.520 349 HB VAL 44 HB VAL 44 -8.698 -4.986 22.879 350 1HG1 VAL 44 1HG1 VAL 44 -11.060 -5.939 24.117 351 2HG1 VAL 44 3HG1 VAL 44 -10.646 -7.109 22.864 352 3HG1 VAL 44 2HG1 VAL 44 -9.470 -6.702 24.114 353 1HG2 VAL 44 2HG2 VAL 44 -10.797 -5.413 20.768 354 2HG2 VAL 44 1HG2 VAL 44 -9.088 -5.027 20.571 355 3HG2 VAL 44 3HG2 VAL 44 -9.575 -6.652 21.053 356 HA PRO 45 HA PRO 45 -9.950 -1.792 26.408 357 1HB PRO 45 2HB PRO 45 -12.403 -0.294 26.408 358 2HB PRO 45 1HB PRO 45 -10.759 0.314 26.203 359 1HG PRO 45 2HG PRO 45 -12.824 0.075 24.212 360 2HG PRO 45 1HG PRO 45 -11.192 0.718 24.016 361 1HD PRO 45 2HD PRO 45 -12.229 -1.772 23.010 362 2HD PRO 45 1HD PRO 45 -10.572 -1.142 22.864 363 H ILE 46 HN ILE 46 -13.482 -2.029 25.875 364 HA ILE 46 HA ILE 46 -13.687 -3.699 28.342 365 HB ILE 46 HB ILE 46 -15.723 -2.157 26.698 366 1HG1 ILE 46 2HG1 ILE 46 -14.517 -1.519 29.406 367 2HG1 ILE 46 1HG1 ILE 46 -13.992 -0.784 27.892 368 1HG2 ILE 46 1HG2 ILE 46 -15.925 -3.991 29.024 369 2HG2 ILE 46 3HG2 ILE 46 -16.846 -2.491 29.144 370 3HG2 ILE 46 2HG2 ILE 46 -17.125 -3.593 27.796 371 1HD1 ILE 46 1HD1 ILE 46 -16.913 -0.731 28.487 372 2HD1 ILE 46 3HD1 ILE 46 -15.880 0.337 29.436 373 3HD1 ILE 46 2HD1 ILE 46 -15.910 0.472 27.677 374 H LEU 47 HN LEU 47 -15.626 -3.517 25.348 375 HA LEU 47 HA LEU 47 -15.173 -6.424 24.874 376 1HB LEU 47 2HB LEU 47 -17.164 -5.986 26.397 377 2HB LEU 47 1HB LEU 47 -17.914 -5.137 25.046 378 HG LEU 47 HG LEU 47 -17.031 -7.552 23.944 379 1HD1 LEU 47 2HD1 LEU 47 -18.006 -7.874 26.774 380 2HD1 LEU 47 1HD1 LEU 47 -18.343 -9.120 25.572 381 3HD1 LEU 47 3HD1 LEU 47 -16.676 -8.699 25.960 382 1HD2 LEU 47 1HD2 LEU 47 -19.388 -6.052 24.202 383 2HD2 LEU 47 3HD2 LEU 47 -19.156 -7.478 23.191 384 3HD2 LEU 47 2HD2 LEU 47 -19.799 -7.650 24.823 385 H CYS 48 HN CYS 48 -14.177 -5.988 22.861 386 HA CYS 48 HA CYS 48 -14.036 -5.330 20.590 387 1HB CYS 48 2HB CYS 48 -16.999 -5.841 21.009 388 2HB CYS 48 1HB CYS 48 -16.240 -5.690 19.424 389 H SER 49 HN SER 49 -13.416 -3.149 20.614 390 HA SER 49 HA SER 49 -15.081 -0.963 21.428 391 1HB SER 49 2HB SER 49 -12.565 -1.076 21.216 392 2HB SER 49 1HB SER 49 -12.772 -0.967 19.468 393 HG SER 49 HG SER 49 -13.677 0.910 21.391 394 H ASN 50 HN ASN 50 -13.898 -1.421 18.101 395 HA ASN 50 HA ASN 50 -16.174 0.023 16.995 396 1HB ASN 50 2HB ASN 50 -13.635 -1.239 16.101 397 2HB ASN 50 1HB ASN 50 -14.889 -1.064 14.874 398 1HD2 ASN 50 1HD2 ASN 50 -12.999 0.528 14.119 399 2HD2 ASN 50 2HD2 ASN 50 -13.158 2.133 14.645 400 HA PRO 51 HA PRO 51 -18.617 -3.781 16.908 401 1HB PRO 51 2HB PRO 51 -20.723 -2.207 15.742 402 2HB PRO 51 1HB PRO 51 -20.614 -2.817 17.395 403 1HG PRO 51 2HG PRO 51 -20.376 -0.107 16.525 404 2HG PRO 51 1HG PRO 51 -20.171 -0.731 18.163 405 1HD PRO 51 2HD PRO 51 -18.126 0.227 16.325 406 2HD PRO 51 1HD PRO 51 -17.946 -0.261 18.026 407 H ASN 52 HN ASN 52 -17.478 -1.709 14.461 408 HA ASN 52 HA ASN 52 -18.430 -3.578 12.317 409 1HB ASN 52 2HB ASN 52 -17.779 -0.616 12.313 410 2HB ASN 52 1HB ASN 52 -18.140 -1.540 10.855 411 1HD2 ASN 52 1HD2 ASN 52 -19.830 0.616 11.663 412 2HD2 ASN 52 2HD2 ASN 52 -21.327 -0.021 12.148 413 H PHE 53 HN PHE 53 -15.938 -3.684 14.064 414 HA PHE 53 HA PHE 53 -13.721 -2.994 12.266 415 1HB PHE 53 2HB PHE 53 -12.394 -3.603 14.101 416 2HB PHE 53 1HB PHE 53 -13.892 -3.135 14.900 417 HD1 PHE 53 HD1 PHE 53 -15.681 -5.374 14.537 418 HD2 PHE 53 HD2 PHE 53 -11.443 -5.396 15.243 419 HE1 PHE 53 HE1 PHE 53 -15.857 -7.640 15.525 420 HE2 PHE 53 HE2 PHE 53 -11.621 -7.668 16.235 421 HZ PHE 53 HZ PHE 53 -13.826 -8.787 16.374 422 HA PRO 54 HA PRO 54 -13.199 -6.736 10.045 423 1HB PRO 54 2HB PRO 54 -10.741 -7.633 11.260 424 2HB PRO 54 1HB PRO 54 -10.954 -6.825 9.705 425 1HG PRO 54 2HG PRO 54 -9.861 -5.734 12.140 426 2HG PRO 54 1HG PRO 54 -10.026 -4.944 10.571 427 1HD PRO 54 2HD PRO 54 -11.524 -4.415 12.958 428 2HD PRO 54 1HD PRO 54 -11.763 -3.686 11.353 429 H GLU 55 HN GLU 55 -15.050 -7.440 11.491 430 HA GLU 55 HA GLU 55 -15.056 -8.774 13.868 431 1HB GLU 55 2HB GLU 55 -16.928 -10.077 12.924 432 2HB GLU 55 1HB GLU 55 -16.977 -8.399 12.371 433 1HG GLU 55 2HG GLU 55 -15.387 -9.614 10.464 434 2HG GLU 55 1HG GLU 55 -16.566 -10.873 10.829 435 H GLU 56 HN GLU 56 -13.540 -9.931 10.913 436 HA GLU 56 HA GLU 56 -13.231 -12.682 11.487 437 1HB GLU 56 2HB GLU 56 -12.529 -11.438 9.419 438 2HB GLU 56 1HB GLU 56 -11.188 -10.746 10.333 439 1HG GLU 56 2HG GLU 56 -10.356 -12.674 9.121 440 2HG GLU 56 1HG GLU 56 -10.416 -13.088 10.834 441 H LEU 57 HN LEU 57 -12.000 -9.894 13.083 442 HA LEU 57 HA LEU 57 -9.839 -11.333 14.509 443 1HB LEU 57 2HB LEU 57 -10.922 -8.514 14.817 444 2HB LEU 57 1HB LEU 57 -9.372 -9.112 15.406 445 HG LEU 57 HG LEU 57 -10.207 -8.932 12.495 446 1HD1 LEU 57 1HD1 LEU 57 -9.697 -6.761 13.706 447 2HD1 LEU 57 3HD1 LEU 57 -8.071 -7.384 13.984 448 3HD1 LEU 57 2HD1 LEU 57 -8.640 -7.111 12.339 449 1HD2 LEU 57 1HD2 LEU 57 -8.295 -10.582 13.757 450 2HD2 LEU 57 3HD2 LEU 57 -8.458 -10.269 12.030 451 3HD2 LEU 57 2HD2 LEU 57 -7.384 -9.270 13.009 452 H LYS 58 HN LYS 58 -13.084 -11.390 14.774 453 HA LYS 58 HA LYS 58 -14.006 -10.651 17.238 454 1HB LYS 58 2HB LYS 58 -14.503 -12.722 15.295 455 2HB LYS 58 1HB LYS 58 -14.758 -13.366 16.918 456 1HG LYS 58 2HG LYS 58 -16.136 -11.264 17.385 457 2HG LYS 58 1HG LYS 58 -16.072 -10.951 15.651 458 1HD LYS 58 2HD LYS 58 -17.770 -12.392 15.334 459 2HD LYS 58 1HD LYS 58 -16.792 -13.690 16.017 460 1HE LYS 58 2HE LYS 58 -18.040 -13.690 17.911 461 2HE LYS 58 1HE LYS 58 -17.792 -11.947 18.122 462 1HZ LYS 58 3HZ LYS 58 -19.407 -11.843 16.085 463 2HZ LYS 58 2HZ LYS 58 -19.904 -13.367 16.646 464 3HZ LYS 58 1HZ LYS 58 -20.028 -12.006 17.655 465 HA PRO 59 HA PRO 59 -11.977 -14.600 19.284 466 1HB PRO 59 2HB PRO 59 -9.572 -15.046 17.759 467 2HB PRO 59 1HB PRO 59 -10.919 -16.156 18.021 468 1HG PRO 59 2HG PRO 59 -10.243 -14.682 15.623 469 2HG PRO 59 1HG PRO 59 -11.517 -15.882 15.849 470 1HD PRO 59 2HD PRO 59 -11.852 -13.078 15.496 471 2HD PRO 59 1HD PRO 59 -13.117 -14.251 15.926 472 H LEU 60 HN LEU 60 -9.832 -12.294 17.551 473 HA LEU 60 HA LEU 60 -7.884 -11.970 19.587 474 1HB LEU 60 2HB LEU 60 -9.017 -9.992 17.580 475 2HB LEU 60 1HB LEU 60 -7.464 -9.831 18.398 476 HG LEU 60 HG LEU 60 -8.300 -11.851 16.322 477 1HD1 LEU 60 2HD1 LEU 60 -7.002 -9.529 16.041 478 2HD1 LEU 60 1HD1 LEU 60 -5.623 -10.533 16.489 479 3HD1 LEU 60 3HD1 LEU 60 -6.586 -10.940 15.069 480 1HD2 LEU 60 2HD2 LEU 60 -6.075 -12.074 18.364 481 2HD2 LEU 60 1HD2 LEU 60 -7.371 -13.230 18.055 482 3HD2 LEU 60 3HD2 LEU 60 -6.096 -12.997 16.860 483 H CYS 61 HN CYS 61 -11.056 -10.426 19.138 484 HA CYS 61 HA CYS 61 -10.787 -8.449 21.202 485 1HB CYS 61 2HB CYS 61 -12.459 -8.420 19.391 486 2HB CYS 61 1HB CYS 61 -13.203 -9.878 20.046 487 H LYS 62 HN LYS 62 -11.580 -11.871 21.261 488 HA LYS 62 HA LYS 62 -12.545 -11.739 24.056 489 1HB LYS 62 2HB LYS 62 -12.181 -13.962 22.026 490 2HB LYS 62 1HB LYS 62 -12.892 -14.190 23.624 491 1HG LYS 62 2HG LYS 62 -14.596 -12.439 23.049 492 2HG LYS 62 1HG LYS 62 -13.933 -12.392 21.416 493 1HD LYS 62 2HD LYS 62 -14.390 -14.849 21.220 494 2HD LYS 62 1HD LYS 62 -15.182 -14.787 22.795 495 1HE LYS 62 2HE LYS 62 -16.930 -13.392 21.981 496 2HE LYS 62 1HE LYS 62 -16.017 -12.966 20.520 497 1HZ LYS 62 3HZ LYS 62 -16.032 -15.367 19.946 498 2HZ LYS 62 2HZ LYS 62 -17.076 -15.648 21.257 499 3HZ LYS 62 1HZ LYS 62 -17.582 -14.678 19.958 500 H GLU 63 HN GLU 63 -9.513 -11.705 22.718 501 HA GLU 63 HA GLU 63 -8.401 -13.433 24.904 502 1HB GLU 63 2HB GLU 63 -6.731 -14.116 23.398 503 2HB GLU 63 1HB GLU 63 -8.149 -13.990 22.357 504 1HG GLU 63 2HG GLU 63 -7.425 -11.623 21.826 505 2HG GLU 63 1HG GLU 63 -5.921 -11.964 22.679 506 HA PRO 64 HA PRO 64 -6.588 -9.813 26.626 507 1HB PRO 64 2HB PRO 64 -4.256 -11.267 27.475 508 2HB PRO 64 1HB PRO 64 -5.657 -10.796 28.439 509 1HG PRO 64 2HG PRO 64 -4.940 -13.426 27.550 510 2HG PRO 64 1HG PRO 64 -6.358 -12.951 28.488 511 1HD PRO 64 2HD PRO 64 -6.247 -13.779 25.715 512 2HD PRO 64 1HD PRO 64 -7.682 -13.346 26.674 513 H ASN 65 HN ASN 65 -4.961 -11.759 24.243 514 HA ASN 65 HA ASN 65 -2.628 -10.019 23.956 515 1HB ASN 65 2HB ASN 65 -3.826 -12.146 22.151 516 2HB ASN 65 1HB ASN 65 -2.186 -11.505 22.041 517 1HD2 ASN 65 1HD2 ASN 65 -1.467 -11.426 24.777 518 2HD2 ASN 65 2HD2 ASN 65 -1.445 -13.006 25.396 519 H ALA 66 HN ALA 66 -5.891 -9.886 22.888 520 HA ALA 66 HA ALA 66 -5.843 -8.770 20.340 521 1HB ALA 66 2HB ALA 66 -7.615 -9.046 22.467 522 2HB ALA 66 3HB ALA 66 -8.008 -8.374 20.884 523 3HB ALA 66 1HB ALA 66 -7.551 -7.303 22.209 524 H GLN 67 HN GLN 67 -5.203 -7.089 23.427 525 HA GLN 67 HA GLN 67 -4.916 -4.455 22.399 526 1HB GLN 67 2HB GLN 67 -3.598 -5.906 24.714 527 2HB GLN 67 1HB GLN 67 -3.568 -4.155 24.500 528 1HG GLN 67 2HG GLN 67 -6.075 -4.171 24.480 529 2HG GLN 67 1HG GLN 67 -6.028 -5.894 24.853 530 1HE2 GLN 67 1HE2 GLN 67 -5.605 -6.507 27.030 531 2HE2 GLN 67 2HE2 GLN 67 -5.332 -5.391 28.279 532 H GLU 68 HN GLU 68 -2.522 -7.091 22.709 533 HA GLU 68 HA GLU 68 -0.335 -5.438 21.676 534 1HB GLU 68 2HB GLU 68 -0.062 -7.298 23.306 535 2HB GLU 68 1HB GLU 68 -0.622 -8.435 22.079 536 1HG GLU 68 2HG GLU 68 1.267 -7.664 20.605 537 2HG GLU 68 1HG GLU 68 1.868 -6.708 21.961 538 H ILE 69 HN ILE 69 -2.546 -7.910 20.396 539 HA ILE 69 HA ILE 69 -1.277 -8.230 17.835 540 HB ILE 69 HB ILE 69 -4.139 -8.563 18.790 541 1HG1 ILE 69 2HG1 ILE 69 -1.935 -10.602 18.361 542 2HG1 ILE 69 1HG1 ILE 69 -2.380 -9.937 19.932 543 1HG2 ILE 69 3HG2 ILE 69 -2.973 -8.740 16.143 544 2HG2 ILE 69 2HG2 ILE 69 -3.579 -10.314 16.656 545 3HG2 ILE 69 1HG2 ILE 69 -4.660 -8.920 16.626 546 1HD1 ILE 69 1HD1 ILE 69 -4.350 -11.328 18.098 547 2HD1 ILE 69 3HD1 ILE 69 -3.466 -12.160 19.377 548 3HD1 ILE 69 2HD1 ILE 69 -4.596 -10.869 19.782 549 H LEU 70 HN LEU 70 -3.954 -6.136 18.944 550 HA LEU 70 HA LEU 70 -4.700 -4.934 16.527 551 1HB LEU 70 2HB LEU 70 -5.862 -4.524 18.600 552 2HB LEU 70 1HB LEU 70 -4.412 -3.849 19.344 553 HG LEU 70 HG LEU 70 -6.227 -2.209 18.431 554 1HD1 LEU 70 1HD1 LEU 70 -3.617 -1.918 19.003 555 2HD1 LEU 70 3HD1 LEU 70 -3.558 -1.552 17.280 556 3HD1 LEU 70 2HD1 LEU 70 -4.585 -0.598 18.349 557 1HD2 LEU 70 1HD2 LEU 70 -6.195 -3.532 16.190 558 2HD2 LEU 70 3HD2 LEU 70 -6.236 -1.771 16.115 559 3HD2 LEU 70 2HD2 LEU 70 -4.718 -2.630 15.857 560 H GLN 71 HN GLN 71 -2.236 -3.649 18.808 561 HA GLN 71 HA GLN 71 -1.277 -1.495 17.325 562 1HB GLN 71 2HB GLN 71 0.289 -3.543 18.928 563 2HB GLN 71 1HB GLN 71 0.827 -1.904 18.564 564 1HG GLN 71 2HG GLN 71 -1.231 -1.047 19.733 565 2HG GLN 71 1HG GLN 71 -1.582 -2.703 20.223 566 1HE2 GLN 71 1HE2 GLN 71 1.691 -2.716 20.206 567 2HE2 GLN 71 2HE2 GLN 71 2.009 -2.209 21.794 568 H ARG 72 HN ARG 72 0.025 -4.832 17.179 569 HA ARG 72 HA ARG 72 1.904 -4.500 15.127 570 1HB ARG 72 2HB ARG 72 0.029 -6.805 15.745 571 2HB ARG 72 1HB ARG 72 1.477 -6.941 14.749 572 1HG ARG 72 2HG ARG 72 2.823 -6.095 16.686 573 2HG ARG 72 1HG ARG 72 1.360 -6.129 17.670 574 1HD ARG 72 2HD ARG 72 1.142 -8.590 17.121 575 2HD ARG 72 1HD ARG 72 2.741 -8.496 16.357 576 HE ARG 72 HE ARG 72 2.757 -7.313 19.007 577 1HH1 ARG 72 1HH1 ARG 72 1.771 -10.379 18.192 578 2HH1 ARG 72 2HH1 ARG 72 3.051 -11.217 19.004 579 1HH2 ARG 72 1HH2 ARG 72 4.871 -8.340 19.664 580 2HH2 ARG 72 2HH2 ARG 72 4.806 -10.062 19.839 581 H LEU 73 HN LEU 73 -1.504 -5.554 14.696 582 HA LEU 73 HA LEU 73 -1.599 -5.650 11.898 583 1HB LEU 73 2HB LEU 73 -3.674 -4.627 13.866 584 2HB LEU 73 1HB LEU 73 -4.016 -5.196 12.233 585 HG LEU 73 HG LEU 73 -2.859 -6.821 14.517 586 1HD1 LEU 73 1HD1 LEU 73 -5.532 -6.423 13.359 587 2HD1 LEU 73 3HD1 LEU 73 -5.064 -8.119 13.481 588 3HD1 LEU 73 2HD1 LEU 73 -5.074 -7.101 14.921 589 1HD2 LEU 73 2HD2 LEU 73 -2.898 -7.229 11.575 590 2HD2 LEU 73 1HD2 LEU 73 -1.789 -7.873 12.786 591 3HD2 LEU 73 3HD2 LEU 73 -3.372 -8.617 12.556 592 H GLU 74 HN GLU 74 -2.266 -2.800 13.971 593 HA GLU 74 HA GLU 74 -2.813 -0.919 11.945 594 1HB GLU 74 2HB GLU 74 -1.349 -0.573 14.581 595 2HB GLU 74 1HB GLU 74 -2.154 0.713 13.682 596 1HG GLU 74 2HG GLU 74 -4.286 -0.645 13.845 597 2HG GLU 74 1HG GLU 74 -3.434 -1.719 14.955 598 H GLU 75 HN GLU 75 0.384 -1.663 13.436 599 HA GLU 75 HA GLU 75 1.934 0.158 11.931 600 1HB GLU 75 2HB GLU 75 2.602 -1.186 13.929 601 2HB GLU 75 1HB GLU 75 2.645 -2.625 12.911 602 1HG GLU 75 2HG GLU 75 4.343 -1.511 11.465 603 2HG GLU 75 1HG GLU 75 4.341 -0.132 12.566 604 H ILE 76 HN ILE 76 1.406 -3.334 11.243 605 HA ILE 76 HA ILE 76 2.742 -3.359 8.723 606 HB ILE 76 HB ILE 76 0.385 -5.002 9.708 607 1HG1 ILE 76 2HG1 ILE 76 2.096 -5.097 11.382 608 2HG1 ILE 76 1HG1 ILE 76 2.267 -6.569 10.427 609 1HG2 ILE 76 2HG2 ILE 76 2.409 -5.321 7.504 610 2HG2 ILE 76 1HG2 ILE 76 1.712 -6.746 8.273 611 3HG2 ILE 76 3HG2 ILE 76 0.666 -5.586 7.454 612 1HD1 ILE 76 3HD1 ILE 76 3.869 -4.911 9.006 613 2HD1 ILE 76 2HD1 ILE 76 4.066 -4.214 10.615 614 3HD1 ILE 76 1HD1 ILE 76 4.458 -5.910 10.335 615 H ALA 77 HN ALA 77 -0.608 -2.624 9.608 616 HA ALA 77 HA ALA 77 -1.774 -2.519 7.018 617 1HB ALA 77 1HB ALA 77 -3.257 -2.368 8.815 618 2HB ALA 77 3HB ALA 77 -2.232 -1.233 9.692 619 3HB ALA 77 2HB ALA 77 -3.182 -0.679 8.313 620 H GLU 78 HN GLU 78 0.237 -0.204 8.766 621 HA GLU 78 HA GLU 78 -0.186 2.087 7.105 622 1HB GLU 78 2HB GLU 78 0.891 1.997 9.364 623 2HB GLU 78 1HB GLU 78 2.287 1.207 8.632 624 1HG GLU 78 2HG GLU 78 2.557 3.179 7.122 625 2HG GLU 78 1HG GLU 78 1.231 3.973 7.973 626 H ASP 79 HN ASP 79 2.161 -0.601 6.891 627 HA ASP 79 HA ASP 79 2.548 0.025 4.015 628 1HB ASP 79 2HB ASP 79 4.338 1.300 4.698 629 2HB ASP 79 1HB ASP 79 4.477 0.456 6.239 630 HA PRO 80 HA PRO 80 2.757 -4.339 3.581 631 1HB PRO 80 2HB PRO 80 4.995 -4.258 1.776 632 2HB PRO 80 1HB PRO 80 3.284 -4.435 1.382 633 1HG PRO 80 2HG PRO 80 4.974 -2.132 0.985 634 2HG PRO 80 1HG PRO 80 3.280 -2.334 0.532 635 1HD PRO 80 2HD PRO 80 4.341 -0.689 2.630 636 2HD PRO 80 1HD PRO 80 2.629 -0.968 2.238 637 H GLY 81 HN GLY 81 6.162 -3.220 3.279 638 1HA GLY 81 1HA GLY 81 6.870 -4.466 5.836 639 2HA GLY 81 2HA GLY 81 7.978 -3.635 4.742 640 H THR 82 HN THR 82 8.018 -6.390 6.080 641 HA THR 82 HA THR 82 9.173 -7.827 3.814 642 HB THR 82 HB THR 82 9.692 -9.469 5.562 643 HG1 THR 82 1HG THR 82 7.629 -8.089 6.836 644 1HG2 THR 82 3HG2 THR 82 10.309 -6.672 5.701 645 2HG2 THR 82 2HG2 THR 82 10.188 -7.309 7.341 646 3HG2 THR 82 1HG2 THR 82 11.307 -8.042 6.192 647 H CYS 83 HN CYS 83 6.078 -7.672 5.350 648 HA CYS 83 HA CYS 83 5.045 -10.267 4.828 649 1HB CYS 83 2HB CYS 83 3.974 -8.492 6.197 650 2HB CYS 83 1HB CYS 83 3.659 -7.569 4.729 651 H GLU 84 HN GLU 84 4.852 -7.321 2.797 652 HA GLU 84 HA GLU 84 3.505 -8.382 0.573 653 1HB GLU 84 2HB GLU 84 4.129 -6.011 0.995 654 2HB GLU 84 1HB GLU 84 5.809 -6.409 0.638 655 1HG GLU 84 2HG GLU 84 5.084 -7.195 -1.628 656 2HG GLU 84 1HG GLU 84 3.454 -6.630 -1.261 657 H ILE 85 HN ILE 85 6.889 -8.789 1.514 658 HA ILE 85 HA ILE 85 7.416 -10.269 -1.027 659 HB ILE 85 HB ILE 85 9.756 -9.912 -0.439 660 1HG1 ILE 85 2HG1 ILE 85 8.599 -8.955 2.188 661 2HG1 ILE 85 1HG1 ILE 85 9.713 -10.298 1.936 662 1HG2 ILE 85 1HG2 ILE 85 7.825 -7.815 -0.738 663 2HG2 ILE 85 3HG2 ILE 85 9.098 -7.253 0.344 664 3HG2 ILE 85 2HG2 ILE 85 9.505 -7.835 -1.270 665 1HD1 ILE 85 1HD1 ILE 85 11.087 -8.229 0.779 666 2HD1 ILE 85 3HD1 ILE 85 10.252 -7.399 2.092 667 3HD1 ILE 85 2HD1 ILE 85 11.316 -8.762 2.446 668 H CYS 86 HN CYS 86 6.084 -11.066 1.778 669 HA CYS 86 HA CYS 86 5.937 -13.070 3.017 670 1HB CYS 86 2HB CYS 86 7.518 -14.092 0.636 671 2HB CYS 86 1HB CYS 86 6.528 -15.064 1.724 672 H ALA 87 HN ALA 87 8.524 -11.275 2.985 673 HA ALA 87 HA ALA 87 10.722 -13.040 3.637 674 1HB ALA 87 2HB ALA 87 11.427 -10.720 4.752 675 2HB ALA 87 3HB ALA 87 10.036 -10.131 3.841 676 3HB ALA 87 1HB ALA 87 11.378 -10.905 2.998 677 H TYR 88 HN TYR 88 7.918 -12.043 5.363 678 HA TYR 88 HA TYR 88 9.113 -13.111 7.900 679 1HB TYR 88 2HB TYR 88 8.886 -10.579 7.711 680 2HB TYR 88 1HB TYR 88 7.140 -10.824 7.669 681 HD1 TYR 88 HD1 TYR 88 10.146 -11.837 9.675 682 HD2 TYR 88 HD2 TYR 88 5.966 -10.853 9.685 683 HE1 TYR 88 HE1 TYR 88 10.113 -12.003 12.150 684 HE2 TYR 88 HE2 TYR 88 5.932 -11.018 12.157 685 HH TYR 88 HH TYR 88 7.086 -11.564 13.978 686 H ALA 89 HN ALA 89 7.379 -13.881 9.426 687 HA ALA 89 HA ALA 89 5.462 -15.575 8.065 688 1HB ALA 89 3HB ALA 89 6.628 -15.181 10.668 689 2HB ALA 89 2HB ALA 89 4.878 -15.323 10.836 690 3HB ALA 89 1HB ALA 89 5.794 -16.606 10.046 691 H ALA 90 HN ALA 90 5.368 -12.298 8.647 692 HA ALA 90 HA ALA 90 2.721 -11.877 9.674 693 1HB ALA 90 3HB ALA 90 4.761 -10.344 8.090 694 2HB ALA 90 2HB ALA 90 3.152 -9.656 8.310 695 3HB ALA 90 1HB ALA 90 4.151 -10.028 9.714 696 H CYS 91 HN CYS 91 3.983 -12.176 6.350 697 HA CYS 91 HA CYS 91 1.245 -11.957 5.235 698 1HB CYS 91 2HB CYS 91 3.884 -11.356 4.448 699 2HB CYS 91 1HB CYS 91 3.334 -12.623 3.359 700 H THR 92 HN THR 92 0.087 -13.849 5.333 701 HA THR 92 HA THR 92 1.542 -16.423 4.851 702 HB THR 92 HB THR 92 -1.230 -16.230 5.939 703 HG1 THR 92 1HG THR 92 1.014 -15.044 7.009 704 1HG2 THR 92 1HG2 THR 92 1.103 -18.042 6.025 705 2HG2 THR 92 3HG2 THR 92 0.213 -17.896 7.541 706 3HG2 THR 92 2HG2 THR 92 -0.619 -18.422 6.077 707 H GLY 93 HN GLY 93 -0.182 -14.218 3.177 708 1HA GLY 93 1HA GLY 93 -1.640 -14.299 1.313 709 2HA GLY 93 2HA GLY 93 -2.117 -15.921 1.816 710 H CYS 94 HN CYS 94 1.010 -14.471 0.865 711 HA CYS 94 HA CYS 94 1.481 -15.378 -1.653 712 1HB CYS 94 2HB CYS 94 3.098 -15.190 0.839 713 2HB CYS 94 1HB CYS 94 3.835 -16.056 -0.508 No H/Q in entry = 713 Start of MODEL 13 1 H1 VAL 1 3H VAL 1 -1.514 -10.441 -0.342 2 H2 VAL 1 2H VAL 1 -0.948 -11.744 -1.274 3 H3 VAL 1 1H VAL 1 -2.607 -11.593 -0.940 4 HA VAL 1 HA VAL 1 -1.785 -13.277 0.507 5 HB VAL 1 HB VAL 1 0.206 -12.540 1.983 6 1HG1 VAL 1 2HG1 VAL 1 0.051 -13.783 -0.497 7 2HG1 VAL 1 1HG1 VAL 1 1.290 -12.550 -0.736 8 3HG1 VAL 1 3HG1 VAL 1 1.472 -13.746 0.546 9 1HG2 VAL 1 2HG2 VAL 1 -0.035 -10.117 1.418 10 2HG2 VAL 1 1HG2 VAL 1 1.581 -10.738 1.079 11 3HG2 VAL 1 3HG2 VAL 1 0.439 -10.489 -0.239 12 H THR 2 HN THR 2 -2.101 -13.285 2.930 13 HA THR 2 HA THR 2 -3.617 -10.847 3.809 14 HB THR 2 HB THR 2 -3.976 -13.777 4.522 15 HG1 THR 2 1HG THR 2 -5.120 -12.064 2.624 16 1HG2 THR 2 2HG2 THR 2 -5.603 -11.306 5.176 17 2HG2 THR 2 1HG2 THR 2 -6.134 -12.960 5.481 18 3HG2 THR 2 3HG2 THR 2 -4.721 -12.318 6.320 19 H VAL 3 HN VAL 3 -3.243 -10.114 5.945 20 HA VAL 3 HA VAL 3 -0.696 -10.953 7.157 21 HB VAL 3 HB VAL 3 -2.519 -8.684 7.139 22 1HG1 VAL 3 1HG1 VAL 3 -1.570 -9.737 9.810 23 2HG1 VAL 3 3HG1 VAL 3 -1.916 -8.026 9.551 24 3HG1 VAL 3 2HG1 VAL 3 -3.195 -9.225 9.356 25 1HG2 VAL 3 3HG2 VAL 3 0.318 -9.310 7.285 26 2HG2 VAL 3 2HG2 VAL 3 -0.474 -7.869 6.649 27 3HG2 VAL 3 1HG2 VAL 3 -0.104 -7.985 8.369 28 H GLN 4 HN GLN 4 -0.621 -12.574 8.664 29 HA GLN 4 HA GLN 4 -3.142 -13.234 10.145 30 1HB GLN 4 2HB GLN 4 -0.695 -14.901 9.476 31 2HB GLN 4 1HB GLN 4 -2.151 -15.492 10.276 32 1HG GLN 4 2HG GLN 4 -3.447 -14.690 8.236 33 2HG GLN 4 1HG GLN 4 -1.889 -14.451 7.446 34 1HE2 GLN 4 1HE2 GLN 4 -3.770 -16.387 6.469 35 2HE2 GLN 4 2HE2 GLN 4 -3.121 -17.935 6.718 36 H ASP 5 HN ASP 5 -3.112 -12.773 12.294 37 HA ASP 5 HA ASP 5 -0.481 -12.329 13.645 38 1HB ASP 5 2HB ASP 5 -1.910 -11.123 15.294 39 2HB ASP 5 1HB ASP 5 -2.134 -10.502 13.659 40 H GLY 6 HN GLY 6 -2.313 -14.884 13.085 41 1HA GLY 6 1HA GLY 6 -3.125 -15.938 15.594 42 2HA GLY 6 2HA GLY 6 -1.448 -16.413 15.325 43 H ASN 7 HN ASN 7 -4.175 -17.885 15.227 44 HA ASN 7 HA ASN 7 -3.488 -19.529 12.867 45 1HB ASN 7 2HB ASN 7 -5.537 -19.764 15.093 46 2HB ASN 7 1HB ASN 7 -5.232 -21.011 13.885 47 1HD2 ASN 7 1HD2 ASN 7 -4.796 -21.515 16.671 48 2HD2 ASN 7 2HD2 ASN 7 -3.130 -21.709 16.926 49 H PHE 8 HN PHE 8 -4.893 -16.739 12.829 50 HA PHE 8 HA PHE 8 -7.199 -17.593 11.104 51 1HB PHE 8 2HB PHE 8 -6.905 -15.283 13.048 52 2HB PHE 8 1HB PHE 8 -8.282 -15.485 11.964 53 HD1 PHE 8 HD1 PHE 8 -9.825 -17.407 12.231 54 HD2 PHE 8 HD2 PHE 8 -6.608 -16.697 14.988 55 HE1 PHE 8 HE1 PHE 8 -10.868 -18.967 13.851 56 HE2 PHE 8 HE2 PHE 8 -7.652 -18.256 16.608 57 HZ PHE 8 HZ PHE 8 -9.782 -19.393 16.040 58 H SER 9 HN SER 9 -7.663 -16.086 9.323 59 HA SER 9 HA SER 9 -5.204 -14.684 8.375 60 1HB SER 9 2HB SER 9 -7.717 -15.695 7.010 61 2HB SER 9 1HB SER 9 -6.396 -14.882 6.170 62 HG SER 9 HG SER 9 -6.503 -17.415 7.317 63 H PHE 10 HN PHE 10 -5.215 -12.505 8.768 64 HA PHE 10 HA PHE 10 -7.842 -11.055 8.656 65 1HB PHE 10 2HB PHE 10 -5.269 -10.428 10.142 66 2HB PHE 10 1HB PHE 10 -6.770 -9.510 10.256 67 HD1 PHE 10 HD1 PHE 10 -8.435 -12.230 9.963 68 HD2 PHE 10 HD2 PHE 10 -5.348 -10.834 12.602 69 HE1 PHE 10 HE1 PHE 10 -9.243 -13.775 11.724 70 HE2 PHE 10 HE2 PHE 10 -6.156 -12.381 14.364 71 HZ PHE 10 HZ PHE 10 -8.104 -13.851 13.925 72 H SER 11 HN SER 11 -8.019 -9.573 7.011 73 HA SER 11 HA SER 11 -5.795 -9.056 5.203 74 1HB SER 11 2HB SER 11 -8.189 -9.250 4.549 75 2HB SER 11 1HB SER 11 -8.542 -7.788 5.470 76 HG SER 11 HG SER 11 -8.103 -6.868 3.629 77 H LEU 12 HN LEU 12 -5.277 -6.674 4.632 78 HA LEU 12 HA LEU 12 -4.613 -5.250 7.145 79 1HB LEU 12 2HB LEU 12 -3.828 -4.986 4.230 80 2HB LEU 12 1HB LEU 12 -3.244 -3.889 5.480 81 HG LEU 12 HG LEU 12 -2.375 -5.887 6.735 82 1HD1 LEU 12 3HD1 LEU 12 -3.455 -7.244 4.274 83 2HD1 LEU 12 2HD1 LEU 12 -2.092 -7.942 5.150 84 3HD1 LEU 12 1HD1 LEU 12 -3.639 -7.710 5.965 85 1HD2 LEU 12 3HD2 LEU 12 -1.170 -4.476 4.800 86 2HD2 LEU 12 2HD2 LEU 12 -0.376 -5.841 5.585 87 3HD2 LEU 12 1HD2 LEU 12 -1.153 -6.056 4.017 88 H GLU 13 HN GLU 13 -6.910 -5.059 4.566 89 HA GLU 13 HA GLU 13 -7.383 -2.234 4.482 90 1HB GLU 13 2HB GLU 13 -9.213 -4.616 4.032 91 2HB GLU 13 1HB GLU 13 -9.546 -2.969 3.493 92 1HG GLU 13 2HG GLU 13 -7.466 -3.010 2.140 93 2HG GLU 13 1HG GLU 13 -7.185 -4.676 2.648 94 H SER 14 HN SER 14 -9.641 -4.607 5.916 95 HA SER 14 HA SER 14 -11.190 -2.942 7.481 96 1HB SER 14 2HB SER 14 -10.062 -5.566 8.475 97 2HB SER 14 1HB SER 14 -11.668 -4.900 8.768 98 HG SER 14 HG SER 14 -12.027 -5.078 6.489 99 H VAL 15 HN VAL 15 -8.128 -4.461 8.582 100 HA VAL 15 HA VAL 15 -8.006 -3.250 11.134 101 HB VAL 15 HB VAL 15 -5.936 -4.172 9.130 102 1HG1 VAL 15 3HG1 VAL 15 -5.061 -2.442 10.803 103 2HG1 VAL 15 2HG1 VAL 15 -5.443 -3.616 12.064 104 3HG1 VAL 15 1HG1 VAL 15 -4.253 -4.010 10.823 105 1HG2 VAL 15 2HG2 VAL 15 -7.553 -5.333 11.338 106 2HG2 VAL 15 1HG2 VAL 15 -6.972 -6.088 9.851 107 3HG2 VAL 15 3HG2 VAL 15 -5.881 -5.886 11.223 108 H LYS 16 HN LYS 16 -6.639 -2.098 8.021 109 HA LYS 16 HA LYS 16 -5.504 0.328 8.948 110 1HB LYS 16 2HB LYS 16 -5.187 -0.576 6.698 111 2HB LYS 16 1HB LYS 16 -6.910 -0.412 6.358 112 1HG LYS 16 2HG LYS 16 -6.704 2.050 6.672 113 2HG LYS 16 1HG LYS 16 -4.968 1.852 6.907 114 1HD LYS 16 2HD LYS 16 -5.335 2.449 4.590 115 2HD LYS 16 1HD LYS 16 -4.873 0.748 4.639 116 1HE LYS 16 2HE LYS 16 -6.795 0.255 3.540 117 2HE LYS 16 1HE LYS 16 -7.705 0.842 4.943 118 1HZ LYS 16 1HZ LYS 16 -6.501 2.716 2.994 119 2HZ LYS 16 3HZ LYS 16 -8.035 2.047 2.716 120 3HZ LYS 16 2HZ LYS 16 -7.763 3.000 4.097 121 H LYS 17 HN LYS 17 -8.760 -0.217 7.552 122 HA LYS 17 HA LYS 17 -9.729 2.406 8.428 123 1HB LYS 17 2HB LYS 17 -11.048 -0.055 7.237 124 2HB LYS 17 1HB LYS 17 -11.848 1.503 7.445 125 1HG LYS 17 2HG LYS 17 -10.088 2.551 6.021 126 2HG LYS 17 1HG LYS 17 -9.394 0.953 5.750 127 1HD LYS 17 2HD LYS 17 -11.641 0.221 4.861 128 2HD LYS 17 1HD LYS 17 -12.161 1.904 4.957 129 1HE LYS 17 2HE LYS 17 -10.897 2.523 3.139 130 2HE LYS 17 1HE LYS 17 -9.575 1.418 3.560 131 1HZ LYS 17 1HZ LYS 17 -12.194 0.302 2.830 132 2HZ LYS 17 3HZ LYS 17 -11.187 0.863 1.586 133 3HZ LYS 17 2HZ LYS 17 -10.646 -0.367 2.626 134 H LEU 18 HN LEU 18 -8.903 -0.057 10.306 135 HA LEU 18 HA LEU 18 -11.265 -0.819 11.740 136 1HB LEU 18 2HB LEU 18 -8.908 -1.824 11.640 137 2HB LEU 18 1HB LEU 18 -8.430 -0.562 12.776 138 HG LEU 18 HG LEU 18 -10.726 -2.466 13.295 139 1HD1 LEU 18 2HD1 LEU 18 -7.787 -2.791 13.612 140 2HD1 LEU 18 1HD1 LEU 18 -8.772 -3.273 14.994 141 3HD1 LEU 18 3HD1 LEU 18 -9.041 -4.017 13.418 142 1HD2 LEU 18 3HD2 LEU 18 -9.258 -0.355 14.843 143 2HD2 LEU 18 2HD2 LEU 18 -10.991 -0.670 14.758 144 3HD2 LEU 18 1HD2 LEU 18 -9.947 -1.729 15.707 145 H LYS 19 HN LYS 19 -8.999 1.898 12.059 146 HA LYS 19 HA LYS 19 -10.468 2.909 14.446 147 1HB LYS 19 2HB LYS 19 -7.941 3.785 13.004 148 2HB LYS 19 1HB LYS 19 -8.544 4.505 14.496 149 1HG LYS 19 2HG LYS 19 -8.397 2.268 15.593 150 2HG LYS 19 1HG LYS 19 -7.703 1.614 14.109 151 1HD LYS 19 2HD LYS 19 -5.863 3.305 14.286 152 2HD LYS 19 1HD LYS 19 -6.527 3.812 15.840 153 1HE LYS 19 2HE LYS 19 -6.163 0.899 15.650 154 2HE LYS 19 1HE LYS 19 -4.646 1.809 15.515 155 1HZ LYS 19 3HZ LYS 19 -5.738 3.200 17.424 156 2HZ LYS 19 2HZ LYS 19 -6.611 1.770 17.705 157 3HZ LYS 19 1HZ LYS 19 -4.914 1.762 17.783 158 H ASP 20 HN ASP 20 -11.638 4.870 14.360 159 HA ASP 20 HA ASP 20 -12.918 6.573 13.327 160 1HB ASP 20 2HB ASP 20 -10.384 6.558 11.656 161 2HB ASP 20 1HB ASP 20 -11.577 7.857 11.643 162 H LEU 21 HN LEU 21 -13.710 4.025 12.525 163 HA LEU 21 HA LEU 21 -13.769 3.868 9.588 164 1HB LEU 21 2HB LEU 21 -13.583 1.893 11.074 165 2HB LEU 21 1HB LEU 21 -15.154 2.279 11.776 166 HG LEU 21 HG LEU 21 -15.607 2.286 9.016 167 1HD1 LEU 21 3HD1 LEU 21 -13.368 1.180 8.777 168 2HD1 LEU 21 2HD1 LEU 21 -13.957 -0.139 9.788 169 3HD1 LEU 21 1HD1 LEU 21 -14.704 0.170 8.220 170 1HD2 LEU 21 2HD2 LEU 21 -16.543 1.016 11.358 171 2HD2 LEU 21 1HD2 LEU 21 -17.316 1.026 9.773 172 3HD2 LEU 21 3HD2 LEU 21 -16.212 -0.278 10.208 173 H GLN 22 HN GLN 22 -15.364 4.765 8.344 174 HA GLN 22 HA GLN 22 -17.424 6.444 9.407 175 1HB GLN 22 2HB GLN 22 -16.267 6.315 7.082 176 2HB GLN 22 1HB GLN 22 -17.475 5.085 6.710 177 1HG GLN 22 2HG GLN 22 -18.386 7.177 5.968 178 2HG GLN 22 1HG GLN 22 -19.238 6.764 7.455 179 1HE2 GLN 22 1HE2 GLN 22 -19.411 8.525 8.842 180 2HE2 GLN 22 2HE2 GLN 22 -18.274 9.777 8.983 181 H GLU 23 HN GLU 23 -19.818 6.042 8.984 182 HA GLU 23 HA GLU 23 -20.899 3.923 10.392 183 1HB GLU 23 2HB GLU 23 -21.749 5.868 8.386 184 2HB GLU 23 1HB GLU 23 -22.709 4.390 8.318 185 1HG GLU 23 2HG GLU 23 -22.163 5.416 11.041 186 2HG GLU 23 1HG GLU 23 -23.203 6.437 10.049 187 HA PRO 24 HA PRO 24 -21.329 1.313 6.318 188 1HB PRO 24 2HB PRO 24 -19.411 2.352 4.444 189 2HB PRO 24 1HB PRO 24 -21.168 2.296 4.281 190 1HG PRO 24 2HG PRO 24 -19.514 4.598 4.720 191 2HG PRO 24 1HG PRO 24 -21.272 4.539 4.575 192 1HD PRO 24 2HD PRO 24 -19.697 5.008 6.955 193 2HD PRO 24 1HD PRO 24 -21.469 4.979 6.798 194 H GLN 25 HN GLN 25 -20.133 -0.594 6.402 195 HA GLN 25 HA GLN 25 -17.730 -0.821 7.892 196 1HB GLN 25 2HB GLN 25 -18.931 -2.576 5.725 197 2HB GLN 25 1HB GLN 25 -17.691 -3.101 6.865 198 1HG GLN 25 2HG GLN 25 -19.210 -2.626 8.745 199 2HG GLN 25 1HG GLN 25 -20.448 -2.077 7.615 200 1HE2 GLN 25 1HE2 GLN 25 -20.862 -4.315 9.398 201 2HE2 GLN 25 2HE2 GLN 25 -21.015 -5.715 8.450 202 H GLU 26 HN GLU 26 -18.268 -0.504 4.404 203 HA GLU 26 HA GLU 26 -15.523 0.492 4.027 204 1HB GLU 26 2HB GLU 26 -16.526 -2.200 3.101 205 2HB GLU 26 1HB GLU 26 -15.232 -1.376 2.231 206 1HG GLU 26 2HG GLU 26 -13.897 -2.458 3.740 207 2HG GLU 26 1HG GLU 26 -14.340 -1.107 4.783 208 HA PRO 27 HA PRO 27 -18.734 2.413 1.330 209 1HB PRO 27 2HB PRO 27 -16.996 4.704 1.298 210 2HB PRO 27 1HB PRO 27 -18.561 4.537 2.096 211 1HG PRO 27 2HG PRO 27 -15.960 4.640 3.313 212 2HG PRO 27 1HG PRO 27 -17.526 4.470 4.111 213 1HD PRO 27 2HD PRO 27 -15.473 2.463 3.788 214 2HD PRO 27 1HD PRO 27 -17.049 2.293 4.596 215 H ARG 28 HN ARG 28 -15.204 2.310 1.058 216 HA ARG 28 HA ARG 28 -15.504 1.891 -1.883 217 1HB ARG 28 2HB ARG 28 -13.704 3.889 -0.476 218 2HB ARG 28 1HB ARG 28 -13.616 3.515 -2.197 219 1HG ARG 28 2HG ARG 28 -16.024 4.181 -2.409 220 2HG ARG 28 1HG ARG 28 -15.993 4.683 -0.719 221 1HD ARG 28 2HD ARG 28 -14.056 6.219 -1.311 222 2HD ARG 28 1HD ARG 28 -14.383 5.844 -3.014 223 HE ARG 28 HE ARG 28 -16.513 6.936 -1.205 224 1HH1 ARG 28 1HH1 ARG 28 -14.830 8.938 -2.699 225 2HH1 ARG 28 2HH1 ARG 28 -15.768 9.191 -4.132 226 1HH2 ARG 28 1HH2 ARG 28 -17.701 6.349 -3.690 227 2HH2 ARG 28 2HH2 ARG 28 -17.392 7.727 -4.693 228 H VAL 29 HN VAL 29 -14.167 0.264 -2.599 229 HA VAL 29 HA VAL 29 -11.923 -0.598 -0.800 230 HB VAL 29 HB VAL 29 -13.816 -2.307 -2.448 231 1HG1 VAL 29 3HG1 VAL 29 -11.265 -2.826 -1.259 232 2HG1 VAL 29 2HG1 VAL 29 -12.488 -3.711 -0.347 233 3HG1 VAL 29 1HG1 VAL 29 -12.334 -3.960 -2.086 234 1HG2 VAL 29 2HG2 VAL 29 -14.931 -1.203 -0.525 235 2HG2 VAL 29 1HG2 VAL 29 -14.796 -2.946 -0.288 236 3HG2 VAL 29 3HG2 VAL 29 -13.693 -1.855 0.549 237 H GLY 30 HN GLY 30 -9.973 -0.855 -1.860 238 1HA GLY 30 1HA GLY 30 -9.530 0.096 -4.474 239 2HA GLY 30 2HA GLY 30 -9.727 -1.650 -4.608 240 H LYS 31 HN LYS 31 -7.301 -0.742 -5.322 241 HA LYS 31 HA LYS 31 -5.474 -2.110 -3.609 242 1HB LYS 31 2HB LYS 31 -5.188 -1.692 -6.028 243 2HB LYS 31 1HB LYS 31 -5.034 0.036 -5.712 244 1HG LYS 31 2HG LYS 31 -3.060 -0.483 -4.239 245 2HG LYS 31 1HG LYS 31 -3.167 -2.161 -4.775 246 1HD LYS 31 2HD LYS 31 -2.967 -1.339 -7.146 247 2HD LYS 31 1HD LYS 31 -2.668 0.279 -6.506 248 1HE LYS 31 2HE LYS 31 -0.605 -0.360 -5.536 249 2HE LYS 31 1HE LYS 31 -1.008 -2.086 -5.606 250 1HZ LYS 31 2HZ LYS 31 -1.293 -1.428 -8.157 251 2HZ LYS 31 1HZ LYS 31 -0.101 -0.295 -7.729 252 3HZ LYS 31 3HZ LYS 31 0.191 -1.953 -7.517 253 H LEU 32 HN LEU 32 -6.717 1.139 -3.520 254 HA LEU 32 HA LEU 32 -4.641 2.549 -2.219 255 1HB LEU 32 2HB LEU 32 -7.657 2.668 -1.886 256 2HB LEU 32 1HB LEU 32 -6.541 3.935 -1.377 257 HG LEU 32 HG LEU 32 -7.038 2.952 -4.200 258 1HD1 LEU 32 2HD1 LEU 32 -8.411 4.816 -2.807 259 2HD1 LEU 32 1HD1 LEU 32 -7.096 5.821 -3.417 260 3HD1 LEU 32 3HD1 LEU 32 -8.129 4.941 -4.544 261 1HD2 LEU 32 2HD2 LEU 32 -4.873 4.734 -3.065 262 2HD2 LEU 32 1HD2 LEU 32 -4.676 3.291 -4.060 263 3HD2 LEU 32 3HD2 LEU 32 -5.329 4.767 -4.768 264 H ARG 33 HN ARG 33 -3.582 1.838 -0.408 265 HA ARG 33 HA ARG 33 -5.152 1.188 2.008 266 1HB ARG 33 2HB ARG 33 -4.205 -1.028 2.235 267 2HB ARG 33 1HB ARG 33 -4.883 -0.911 0.611 268 1HG ARG 33 2HG ARG 33 -2.567 -0.228 -0.187 269 2HG ARG 33 1HG ARG 33 -1.972 -0.672 1.414 270 1HD ARG 33 2HD ARG 33 -2.929 -2.969 1.084 271 2HD ARG 33 1HD ARG 33 -3.373 -2.504 -0.570 272 HE ARG 33 HE ARG 33 -0.562 -2.579 0.472 273 1HH1 ARG 33 1HH1 ARG 33 -2.399 -1.399 -2.071 274 2HH1 ARG 33 2HH1 ARG 33 -1.473 -2.153 -3.325 275 1HH2 ARG 33 1HH2 ARG 33 0.436 -4.051 -1.140 276 2HH2 ARG 33 2HH2 ARG 33 0.133 -3.654 -2.799 277 H ASN 34 HN ASN 34 -3.205 0.331 3.680 278 HA ASN 34 HA ASN 34 -1.321 1.045 4.915 279 1HB ASN 34 2HB ASN 34 -0.526 1.918 2.118 280 2HB ASN 34 1HB ASN 34 0.576 1.825 3.489 281 1HD2 ASN 34 1HD2 ASN 34 0.966 0.217 1.140 282 2HD2 ASN 34 2HD2 ASN 34 0.718 -1.408 1.558 283 H PHE 35 HN PHE 35 -3.519 2.740 5.055 284 HA PHE 35 HA PHE 35 -2.238 5.456 5.044 285 1HB PHE 35 2HB PHE 35 -5.012 4.532 4.256 286 2HB PHE 35 1HB PHE 35 -4.638 6.225 4.577 287 HD1 PHE 35 HD1 PHE 35 -2.673 7.281 3.270 288 HD2 PHE 35 HD2 PHE 35 -4.563 3.592 2.144 289 HE1 PHE 35 HE1 PHE 35 -1.765 7.517 0.975 290 HE2 PHE 35 HE2 PHE 35 -3.655 3.828 -0.152 291 HZ PHE 35 HZ PHE 35 -2.256 5.790 -0.736 292 H ALA 36 HN ALA 36 -3.284 3.032 6.988 293 HA ALA 36 HA ALA 36 -5.039 4.310 8.865 294 1HB ALA 36 3HB ALA 36 -5.029 2.105 9.372 295 2HB ALA 36 2HB ALA 36 -3.497 1.860 8.533 296 3HB ALA 36 1HB ALA 36 -3.507 2.393 10.214 297 HA PRO 37 HA PRO 37 -2.448 6.967 11.208 298 1HB PRO 37 2HB PRO 37 -3.415 6.012 13.743 299 2HB PRO 37 1HB PRO 37 -3.911 7.460 12.866 300 1HG PRO 37 2HG PRO 37 -5.406 5.047 13.260 301 2HG PRO 37 1HG PRO 37 -5.891 6.483 12.356 302 1HD PRO 37 2HD PRO 37 -5.130 3.889 11.317 303 2HD PRO 37 1HD PRO 37 -5.672 5.319 10.408 304 H ILE 38 HN ILE 38 -1.605 6.289 13.943 305 HA ILE 38 HA ILE 38 0.503 4.269 13.280 306 HB ILE 38 HB ILE 38 0.427 6.385 15.453 307 1HG1 ILE 38 2HG1 ILE 38 2.108 7.460 13.716 308 2HG1 ILE 38 1HG1 ILE 38 1.185 6.507 12.554 309 1HG2 ILE 38 3HG2 ILE 38 2.042 4.528 15.767 310 2HG2 ILE 38 2HG2 ILE 38 2.717 4.861 14.173 311 3HG2 ILE 38 1HG2 ILE 38 2.864 6.058 15.459 312 1HD1 ILE 38 1HD1 ILE 38 -0.593 7.844 14.412 313 2HD1 ILE 38 3HD1 ILE 38 0.473 9.010 13.629 314 3HD1 ILE 38 2HD1 ILE 38 -0.543 7.951 12.652 315 HA PRO 39 HA PRO 39 -1.280 1.455 16.178 316 1HB PRO 39 2HB PRO 39 1.314 0.466 16.933 317 2HB PRO 39 1HB PRO 39 0.150 -0.266 15.825 318 1HG PRO 39 2HG PRO 39 2.645 1.004 15.179 319 2HG PRO 39 1HG PRO 39 1.480 0.274 14.072 320 1HD PRO 39 2HD PRO 39 2.047 3.079 14.448 321 2HD PRO 39 1HD PRO 39 0.874 2.342 13.331 322 H GLY 40 HN GLY 40 -1.014 0.877 18.574 323 1HA GLY 40 1HA GLY 40 0.167 3.186 20.066 324 2HA GLY 40 2HA GLY 40 0.187 1.538 20.694 325 H GLU 41 HN GLU 41 -2.676 1.654 19.182 326 HA GLU 41 HA GLU 41 -4.100 2.564 21.657 327 1HB GLU 41 2HB GLU 41 -4.111 3.642 18.973 328 2HB GLU 41 1HB GLU 41 -5.726 3.073 19.398 329 1HG GLU 41 2HG GLU 41 -5.688 4.402 21.451 330 2HG GLU 41 1HG GLU 41 -4.032 4.911 21.119 331 HA PRO 42 HA PRO 42 -5.215 -1.778 20.307 332 1HB PRO 42 2HB PRO 42 -5.388 -2.354 23.120 333 2HB PRO 42 1HB PRO 42 -4.209 -2.961 21.955 334 1HG PRO 42 2HG PRO 42 -3.792 -1.038 24.051 335 2HG PRO 42 1HG PRO 42 -2.612 -1.659 22.895 336 1HD PRO 42 2HD PRO 42 -3.790 0.973 22.974 337 2HD PRO 42 1HD PRO 42 -2.616 0.339 21.795 338 H VAL 43 HN VAL 43 -7.367 -2.566 20.332 339 HA VAL 43 HA VAL 43 -9.331 -1.042 22.012 340 HB VAL 43 HB VAL 43 -9.582 -1.885 19.107 341 1HG1 VAL 43 1HG1 VAL 43 -11.482 -1.026 21.117 342 2HG1 VAL 43 3HG1 VAL 43 -11.427 0.128 19.784 343 3HG1 VAL 43 2HG1 VAL 43 -11.781 -1.571 19.467 344 1HG2 VAL 43 2HG2 VAL 43 -8.055 0.177 20.065 345 2HG2 VAL 43 1HG2 VAL 43 -8.826 0.169 18.480 346 3HG2 VAL 43 3HG2 VAL 43 -9.610 0.976 19.839 347 H VAL 44 HN VAL 44 -10.465 -2.471 23.274 348 HA VAL 44 HA VAL 44 -11.511 -4.968 22.130 349 HB VAL 44 HB VAL 44 -9.260 -4.840 24.140 350 1HG1 VAL 44 1HG1 VAL 44 -11.480 -6.812 23.932 351 2HG1 VAL 44 3HG1 VAL 44 -9.854 -7.473 24.102 352 3HG1 VAL 44 2HG1 VAL 44 -10.492 -6.375 25.325 353 1HG2 VAL 44 1HG2 VAL 44 -9.753 -5.966 21.427 354 2HG2 VAL 44 3HG2 VAL 44 -8.282 -5.266 22.103 355 3HG2 VAL 44 2HG2 VAL 44 -8.741 -6.920 22.511 356 HA PRO 45 HA PRO 45 -13.803 -2.826 25.674 357 1HB PRO 45 2HB PRO 45 -16.071 -2.700 23.910 358 2HB PRO 45 1HB PRO 45 -15.135 -1.357 24.571 359 1HG PRO 45 2HG PRO 45 -15.183 -2.292 21.865 360 2HG PRO 45 1HG PRO 45 -14.204 -0.986 22.537 361 1HD PRO 45 2HD PRO 45 -13.339 -3.627 21.694 362 2HD PRO 45 1HD PRO 45 -12.342 -2.276 22.285 363 H ILE 46 HN ILE 46 -16.610 -3.577 25.552 364 HA ILE 46 HA ILE 46 -16.495 -6.275 26.538 365 HB ILE 46 HB ILE 46 -18.790 -4.547 25.549 366 1HG1 ILE 46 2HG1 ILE 46 -17.684 -5.004 28.338 367 2HG1 ILE 46 1HG1 ILE 46 -17.426 -3.551 27.372 368 1HG2 ILE 46 3HG2 ILE 46 -18.764 -7.278 26.295 369 2HG2 ILE 46 2HG2 ILE 46 -19.451 -6.399 27.661 370 3HG2 ILE 46 1HG2 ILE 46 -20.176 -6.247 26.060 371 1HD1 ILE 46 2HD1 ILE 46 -20.190 -3.933 27.297 372 2HD1 ILE 46 1HD1 ILE 46 -19.748 -4.325 28.958 373 3HD1 ILE 46 3HD1 ILE 46 -19.331 -2.750 28.283 374 H LEU 47 HN LEU 47 -17.438 -4.875 23.411 375 HA LEU 47 HA LEU 47 -17.179 -7.579 22.178 376 1HB LEU 47 2HB LEU 47 -19.499 -5.668 21.744 377 2HB LEU 47 1HB LEU 47 -19.333 -7.290 21.070 378 HG LEU 47 HG LEU 47 -19.482 -6.655 24.034 379 1HD1 LEU 47 1HD1 LEU 47 -21.583 -6.349 22.493 380 2HD1 LEU 47 3HD1 LEU 47 -21.585 -8.112 22.453 381 3HD1 LEU 47 2HD1 LEU 47 -21.743 -7.265 23.991 382 1HD2 LEU 47 3HD2 LEU 47 -18.450 -8.885 22.700 383 2HD2 LEU 47 2HD2 LEU 47 -18.939 -8.817 24.393 384 3HD2 LEU 47 1HD2 LEU 47 -20.080 -9.372 23.167 385 H CYS 48 HN CYS 48 -15.134 -6.043 21.755 386 HA CYS 48 HA CYS 48 -13.876 -4.879 20.125 387 1HB CYS 48 2HB CYS 48 -16.279 -5.880 18.575 388 2HB CYS 48 1HB CYS 48 -14.911 -5.087 17.797 389 H SER 49 HN SER 49 -13.673 -2.683 19.775 390 HA SER 49 HA SER 49 -15.740 -0.856 20.536 391 1HB SER 49 2HB SER 49 -13.370 -0.330 20.659 392 2HB SER 49 1HB SER 49 -13.201 -0.539 18.915 393 HG SER 49 HG SER 49 -14.989 1.324 20.057 394 H ASN 50 HN ASN 50 -14.289 -1.189 17.281 395 HA ASN 50 HA ASN 50 -16.615 0.065 16.033 396 1HB ASN 50 2HB ASN 50 -13.945 -1.042 15.240 397 2HB ASN 50 1HB ASN 50 -15.153 -0.791 13.980 398 1HD2 ASN 50 1HD2 ASN 50 -13.574 0.954 13.218 399 2HD2 ASN 50 2HD2 ASN 50 -13.656 2.482 13.951 400 HA PRO 51 HA PRO 51 -18.687 -3.937 15.865 401 1HB PRO 51 2HB PRO 51 -20.805 -2.612 14.444 402 2HB PRO 51 1HB PRO 51 -20.794 -3.146 16.127 403 1HG PRO 51 2HG PRO 51 -20.710 -0.461 15.153 404 2HG PRO 51 1HG PRO 51 -20.616 -0.999 16.831 405 1HD PRO 51 2HD PRO 51 -18.493 0.076 15.161 406 2HD PRO 51 1HD PRO 51 -18.432 -0.349 16.886 407 H ASN 52 HN ASN 52 -17.334 -2.036 13.436 408 HA ASN 52 HA ASN 52 -18.081 -4.044 11.335 409 1HB ASN 52 2HB ASN 52 -17.600 -1.054 11.203 410 2HB ASN 52 1HB ASN 52 -17.745 -2.074 9.771 411 1HD2 ASN 52 1HD2 ASN 52 -19.656 -0.021 10.248 412 2HD2 ASN 52 2HD2 ASN 52 -21.147 -0.737 10.631 413 H PHE 53 HN PHE 53 -15.698 -3.777 13.284 414 HA PHE 53 HA PHE 53 -13.404 -3.200 11.545 415 1HB PHE 53 2HB PHE 53 -12.178 -3.489 13.527 416 2HB PHE 53 1HB PHE 53 -13.749 -3.001 14.158 417 HD1 PHE 53 HD1 PHE 53 -15.459 -4.996 14.566 418 HD2 PHE 53 HD2 PHE 53 -11.188 -5.438 14.373 419 HE1 PHE 53 HE1 PHE 53 -15.620 -7.125 15.824 420 HE2 PHE 53 HE2 PHE 53 -11.352 -7.574 15.633 421 HZ PHE 53 HZ PHE 53 -13.568 -8.408 16.357 422 HA PRO 54 HA PRO 54 -12.400 -7.211 10.020 423 1HB PRO 54 2HB PRO 54 -10.270 -7.936 11.827 424 2HB PRO 54 1HB PRO 54 -10.135 -7.369 10.166 425 1HG PRO 54 2HG PRO 54 -9.518 -5.948 12.590 426 2HG PRO 54 1HG PRO 54 -9.360 -5.377 10.927 427 1HD PRO 54 2HD PRO 54 -11.271 -4.533 12.883 428 2HD PRO 54 1HD PRO 54 -11.181 -4.025 11.183 429 H GLU 55 HN GLU 55 -14.545 -7.716 11.177 430 HA GLU 55 HA GLU 55 -14.973 -8.830 13.652 431 1HB GLU 55 2HB GLU 55 -16.611 -8.525 11.797 432 2HB GLU 55 1HB GLU 55 -15.937 -9.949 11.001 433 1HG GLU 55 2HG GLU 55 -16.499 -11.311 13.000 434 2HG GLU 55 1HG GLU 55 -17.220 -9.887 13.751 435 H GLU 56 HN GLU 56 -13.368 -10.420 10.905 436 HA GLU 56 HA GLU 56 -13.179 -13.061 11.866 437 1HB GLU 56 2HB GLU 56 -11.162 -11.319 10.404 438 2HB GLU 56 1HB GLU 56 -11.070 -13.077 10.502 439 1HG GLU 56 2HG GLU 56 -13.326 -13.216 9.440 440 2HG GLU 56 1HG GLU 56 -13.320 -11.461 9.264 441 H LEU 57 HN LEU 57 -11.831 -10.161 13.123 442 HA LEU 57 HA LEU 57 -9.769 -11.543 14.751 443 1HB LEU 57 2HB LEU 57 -10.589 -8.688 14.182 444 2HB LEU 57 1HB LEU 57 -9.399 -9.078 15.424 445 HG LEU 57 HG LEU 57 -8.056 -10.281 13.748 446 1HD1 LEU 57 3HD1 LEU 57 -10.398 -9.596 12.021 447 2HD1 LEU 57 2HD1 LEU 57 -8.801 -9.705 11.285 448 3HD1 LEU 57 1HD1 LEU 57 -9.486 -11.098 12.122 449 1HD2 LEU 57 1HD2 LEU 57 -8.717 -7.411 13.576 450 2HD2 LEU 57 3HD2 LEU 57 -7.144 -8.192 13.742 451 3HD2 LEU 57 2HD2 LEU 57 -7.900 -8.060 12.155 452 H LYS 58 HN LYS 58 -12.960 -11.310 14.936 453 HA LYS 58 HA LYS 58 -13.871 -10.136 17.249 454 1HB LYS 58 2HB LYS 58 -14.638 -12.197 15.494 455 2HB LYS 58 1HB LYS 58 -14.741 -12.904 17.107 456 1HG LYS 58 2HG LYS 58 -16.090 -10.950 17.849 457 2HG LYS 58 1HG LYS 58 -16.030 -10.306 16.209 458 1HD LYS 58 2HD LYS 58 -18.134 -11.608 16.759 459 2HD LYS 58 1HD LYS 58 -17.257 -12.192 15.344 460 1HE LYS 58 2HE LYS 58 -16.760 -14.185 16.346 461 2HE LYS 58 1HE LYS 58 -16.386 -13.408 17.896 462 1HZ LYS 58 2HZ LYS 58 -19.153 -13.494 16.856 463 2HZ LYS 58 1HZ LYS 58 -18.521 -14.805 17.734 464 3HZ LYS 58 3HZ LYS 58 -18.627 -13.275 18.457 465 HA PRO 59 HA PRO 59 -12.247 -13.989 19.805 466 1HB PRO 59 2HB PRO 59 -9.836 -14.768 18.431 467 2HB PRO 59 1HB PRO 59 -11.268 -15.746 18.761 468 1HG PRO 59 2HG PRO 59 -10.417 -14.580 16.245 469 2HG PRO 59 1HG PRO 59 -11.763 -15.683 16.546 470 1HD PRO 59 2HD PRO 59 -11.945 -12.932 15.872 471 2HD PRO 59 1HD PRO 59 -13.278 -13.971 16.424 472 H LEU 60 HN LEU 60 -9.922 -11.992 17.912 473 HA LEU 60 HA LEU 60 -7.990 -11.607 19.942 474 1HB LEU 60 2HB LEU 60 -9.020 -9.990 17.614 475 2HB LEU 60 1HB LEU 60 -7.736 -9.360 18.643 476 HG LEU 60 HG LEU 60 -6.483 -11.525 18.233 477 1HD1 LEU 60 3HD1 LEU 60 -8.831 -11.880 16.373 478 2HD1 LEU 60 2HD1 LEU 60 -7.278 -12.642 16.026 479 3HD1 LEU 60 1HD1 LEU 60 -8.144 -13.039 17.511 480 1HD2 LEU 60 2HD2 LEU 60 -7.042 -9.357 16.307 481 2HD2 LEU 60 1HD2 LEU 60 -5.496 -9.960 16.904 482 3HD2 LEU 60 3HD2 LEU 60 -6.325 -10.802 15.595 483 H CYS 61 HN CYS 61 -11.008 -9.815 19.264 484 HA CYS 61 HA CYS 61 -10.702 -7.804 21.264 485 1HB CYS 61 2HB CYS 61 -13.152 -9.168 20.100 486 2HB CYS 61 1HB CYS 61 -13.184 -7.652 21.001 487 H LYS 62 HN LYS 62 -11.595 -11.184 21.475 488 HA LYS 62 HA LYS 62 -12.537 -10.854 24.281 489 1HB LYS 62 2HB LYS 62 -12.516 -13.153 22.302 490 2HB LYS 62 1HB LYS 62 -13.182 -13.261 23.932 491 1HG LYS 62 2HG LYS 62 -14.714 -11.365 23.386 492 2HG LYS 62 1HG LYS 62 -14.095 -11.379 21.734 493 1HD LYS 62 2HD LYS 62 -14.825 -13.752 21.515 494 2HD LYS 62 1HD LYS 62 -15.514 -13.666 23.137 495 1HE LYS 62 2HE LYS 62 -17.377 -12.629 22.356 496 2HE LYS 62 1HE LYS 62 -16.406 -11.433 21.477 497 1HZ LYS 62 1HZ LYS 62 -16.323 -14.150 20.446 498 2HZ LYS 62 3HZ LYS 62 -17.812 -13.359 20.267 499 3HZ LYS 62 2HZ LYS 62 -16.405 -12.676 19.607 500 H GLU 63 HN GLU 63 -9.601 -11.267 22.780 501 HA GLU 63 HA GLU 63 -8.581 -13.028 24.983 502 1HB GLU 63 2HB GLU 63 -7.077 -13.942 23.420 503 2HB GLU 63 1HB GLU 63 -8.533 -13.696 22.457 504 1HG GLU 63 2HG GLU 63 -7.613 -11.475 21.740 505 2HG GLU 63 1HG GLU 63 -6.119 -11.867 22.591 506 HA PRO 64 HA PRO 64 -6.233 -9.612 26.462 507 1HB PRO 64 2HB PRO 64 -4.053 -11.318 27.242 508 2HB PRO 64 1HB PRO 64 -5.335 -10.652 28.259 509 1HG PRO 64 2HG PRO 64 -4.986 -13.373 27.441 510 2HG PRO 64 1HG PRO 64 -6.299 -12.698 28.409 511 1HD PRO 64 2HD PRO 64 -6.384 -13.610 25.655 512 2HD PRO 64 1HD PRO 64 -7.727 -13.018 26.660 513 H ASN 65 HN ASN 65 -4.997 -11.809 24.066 514 HA ASN 65 HA ASN 65 -2.470 -10.419 23.617 515 1HB ASN 65 2HB ASN 65 -4.057 -12.384 21.937 516 2HB ASN 65 1HB ASN 65 -2.361 -11.968 21.695 517 1HD2 ASN 65 1HD2 ASN 65 -3.017 -14.655 22.229 518 2HD2 ASN 65 2HD2 ASN 65 -2.491 -15.067 23.790 519 H ALA 66 HN ALA 66 -5.754 -9.986 22.511 520 HA ALA 66 HA ALA 66 -5.510 -8.808 19.999 521 1HB ALA 66 3HB ALA 66 -7.303 -8.773 22.259 522 2HB ALA 66 1HB ALA 66 -7.684 -8.524 20.555 523 3HB ALA 66 2HB ALA 66 -7.211 -7.156 21.562 524 H GLN 67 HN GLN 67 -4.722 -7.388 23.160 525 HA GLN 67 HA GLN 67 -4.215 -4.715 22.320 526 1HB GLN 67 2HB GLN 67 -3.074 -6.465 24.517 527 2HB GLN 67 1HB GLN 67 -2.797 -4.726 24.421 528 1HG GLN 67 2HG GLN 67 -5.243 -4.345 24.481 529 2HG GLN 67 1HG GLN 67 -5.504 -6.085 24.610 530 1HE2 GLN 67 1HE2 GLN 67 -6.476 -4.524 26.698 531 2HE2 GLN 67 2HE2 GLN 67 -5.509 -4.719 28.079 532 H GLU 68 HN GLU 68 -2.071 -7.566 22.468 533 HA GLU 68 HA GLU 68 0.253 -6.070 21.500 534 1HB GLU 68 2HB GLU 68 -0.373 -9.014 21.894 535 2HB GLU 68 1HB GLU 68 1.226 -8.388 21.488 536 1HG GLU 68 2HG GLU 68 1.189 -7.004 23.548 537 2HG GLU 68 1HG GLU 68 -0.388 -7.679 23.959 538 H ILE 69 HN ILE 69 -2.222 -8.204 20.123 539 HA ILE 69 HA ILE 69 -0.952 -8.469 17.524 540 HB ILE 69 HB ILE 69 -3.829 -8.785 18.447 541 1HG1 ILE 69 2HG1 ILE 69 -1.708 -10.911 18.058 542 2HG1 ILE 69 1HG1 ILE 69 -2.060 -10.176 19.622 543 1HG2 ILE 69 2HG2 ILE 69 -2.386 -9.359 15.888 544 2HG2 ILE 69 1HG2 ILE 69 -3.630 -10.493 16.414 545 3HG2 ILE 69 3HG2 ILE 69 -4.039 -8.799 16.139 546 1HD1 ILE 69 3HD1 ILE 69 -4.549 -10.924 18.450 547 2HD1 ILE 69 2HD1 ILE 69 -3.460 -12.304 18.307 548 3HD1 ILE 69 1HD1 ILE 69 -3.783 -11.597 19.889 549 H LEU 70 HN LEU 70 -3.700 -6.508 18.729 550 HA LEU 70 HA LEU 70 -4.385 -5.104 16.421 551 1HB LEU 70 2HB LEU 70 -5.583 -4.883 18.510 552 2HB LEU 70 1HB LEU 70 -4.157 -4.232 19.317 553 HG LEU 70 HG LEU 70 -5.965 -2.548 18.552 554 1HD1 LEU 70 3HD1 LEU 70 -3.321 -2.276 19.001 555 2HD1 LEU 70 2HD1 LEU 70 -3.371 -1.788 17.307 556 3HD1 LEU 70 1HD1 LEU 70 -4.341 -0.926 18.501 557 1HD2 LEU 70 1HD2 LEU 70 -4.684 -3.294 15.909 558 2HD2 LEU 70 3HD2 LEU 70 -6.392 -3.403 16.333 559 3HD2 LEU 70 2HD2 LEU 70 -5.626 -1.825 16.158 560 H GLN 71 HN GLN 71 -1.976 -3.997 18.849 561 HA GLN 71 HA GLN 71 -0.994 -1.731 17.566 562 1HB GLN 71 2HB GLN 71 0.475 -3.916 19.077 563 2HB GLN 71 1HB GLN 71 1.127 -2.305 18.774 564 1HG GLN 71 2HG GLN 71 -0.730 -1.293 20.012 565 2HG GLN 71 1HG GLN 71 -1.458 -2.880 20.259 566 1HE2 GLN 71 1HE2 GLN 71 -0.720 -1.269 22.494 567 2HE2 GLN 71 2HE2 GLN 71 0.586 -2.006 23.289 568 H ARG 72 HN ARG 72 0.219 -5.079 17.114 569 HA ARG 72 HA ARG 72 2.129 -4.521 15.092 570 1HB ARG 72 2HB ARG 72 0.371 -6.939 15.613 571 2HB ARG 72 1HB ARG 72 1.801 -6.954 14.582 572 1HG ARG 72 2HG ARG 72 3.153 -6.162 16.538 573 2HG ARG 72 1HG ARG 72 1.715 -6.318 17.546 574 1HD ARG 72 2HD ARG 72 1.592 -8.752 16.844 575 2HD ARG 72 1HD ARG 72 3.177 -8.538 16.076 576 HE ARG 72 HE ARG 72 2.627 -8.356 18.997 577 1HH1 ARG 72 1HH1 ARG 72 4.748 -7.417 16.493 578 2HH1 ARG 72 2HH1 ARG 72 6.192 -7.803 17.368 579 1HH2 ARG 72 1HH2 ARG 72 4.507 -9.175 20.069 580 2HH2 ARG 72 2HH2 ARG 72 6.056 -8.799 19.391 581 H LEU 73 HN LEU 73 -1.156 -5.888 14.582 582 HA LEU 73 HA LEU 73 -1.318 -5.732 11.812 583 1HB LEU 73 2HB LEU 73 -3.417 -5.040 13.894 584 2HB LEU 73 1HB LEU 73 -3.765 -5.459 12.218 585 HG LEU 73 HG LEU 73 -2.720 -7.207 14.429 586 1HD1 LEU 73 2HD1 LEU 73 -5.181 -6.940 13.467 587 2HD1 LEU 73 1HD1 LEU 73 -4.570 -8.030 12.223 588 3HD1 LEU 73 3HD1 LEU 73 -4.557 -8.527 13.916 589 1HD2 LEU 73 3HD2 LEU 73 -2.388 -7.722 11.455 590 2HD2 LEU 73 2HD2 LEU 73 -1.077 -7.412 12.593 591 3HD2 LEU 73 1HD2 LEU 73 -2.045 -8.880 12.740 592 H GLU 74 HN GLU 74 -2.313 -3.117 14.063 593 HA GLU 74 HA GLU 74 -2.934 -1.125 12.189 594 1HB GLU 74 2HB GLU 74 -1.504 -0.915 14.860 595 2HB GLU 74 1HB GLU 74 -2.320 0.419 14.045 596 1HG GLU 74 2HG GLU 74 -3.654 -2.165 14.904 597 2HG GLU 74 1HG GLU 74 -3.760 -0.637 15.776 598 H GLU 75 HN GLU 75 0.277 -1.984 13.521 599 HA GLU 75 HA GLU 75 1.748 0.069 12.152 600 1HB GLU 75 2HB GLU 75 2.419 -1.336 14.147 601 2HB GLU 75 1HB GLU 75 2.653 -2.687 13.040 602 1HG GLU 75 2HG GLU 75 4.283 -1.306 11.753 603 2HG GLU 75 1HG GLU 75 4.095 -0.020 12.945 604 H ILE 76 HN ILE 76 1.318 -3.415 11.395 605 HA ILE 76 HA ILE 76 2.698 -3.322 8.878 606 HB ILE 76 HB ILE 76 0.500 -5.148 9.911 607 1HG1 ILE 76 2HG1 ILE 76 3.522 -5.373 10.080 608 2HG1 ILE 76 1HG1 ILE 76 2.458 -4.960 11.424 609 1HG2 ILE 76 1HG2 ILE 76 0.920 -5.335 7.467 610 2HG2 ILE 76 3HG2 ILE 76 2.631 -5.612 7.800 611 3HG2 ILE 76 2HG2 ILE 76 1.427 -6.784 8.335 612 1HD1 ILE 76 3HD1 ILE 76 1.230 -7.195 10.737 613 2HD1 ILE 76 2HD1 ILE 76 2.785 -7.580 10.000 614 3HD1 ILE 76 1HD1 ILE 76 2.686 -7.256 11.731 615 H ALA 77 HN ALA 77 -0.714 -2.909 9.785 616 HA ALA 77 HA ALA 77 -1.873 -2.831 7.195 617 1HB ALA 77 1HB ALA 77 -3.149 -2.909 9.277 618 2HB ALA 77 3HB ALA 77 -2.509 -1.340 9.764 619 3HB ALA 77 2HB ALA 77 -3.608 -1.455 8.390 620 H GLU 78 HN GLU 78 -0.183 -0.352 9.074 621 HA GLU 78 HA GLU 78 -0.767 1.908 7.427 622 1HB GLU 78 2HB GLU 78 0.202 1.882 9.734 623 2HB GLU 78 1HB GLU 78 1.710 1.267 9.060 624 1HG GLU 78 2HG GLU 78 1.827 3.296 7.597 625 2HG GLU 78 1HG GLU 78 0.395 3.923 8.415 626 H ASP 79 HN ASP 79 1.821 -0.546 7.244 627 HA ASP 79 HA ASP 79 2.312 0.256 4.423 628 1HB ASP 79 2HB ASP 79 3.959 0.907 6.729 629 2HB ASP 79 1HB ASP 79 4.860 -0.055 5.558 630 HA PRO 80 HA PRO 80 2.827 -4.036 3.717 631 1HB PRO 80 2HB PRO 80 5.167 -3.697 2.078 632 2HB PRO 80 1HB PRO 80 3.498 -3.941 1.555 633 1HG PRO 80 2HG PRO 80 5.067 -1.527 1.428 634 2HG PRO 80 1HG PRO 80 3.414 -1.784 0.863 635 1HD PRO 80 2HD PRO 80 4.269 -0.252 3.141 636 2HD PRO 80 1HD PRO 80 2.600 -0.571 2.614 637 H GLY 81 HN GLY 81 6.200 -2.850 3.589 638 1HA GLY 81 1HA GLY 81 6.853 -4.088 6.162 639 2HA GLY 81 2HA GLY 81 7.992 -3.290 5.076 640 H THR 82 HN THR 82 7.914 -6.054 6.447 641 HA THR 82 HA THR 82 9.100 -7.522 4.216 642 HB THR 82 HB THR 82 9.563 -9.161 5.976 643 HG1 THR 82 1HG THR 82 7.431 -8.902 6.931 644 1HG2 THR 82 3HG2 THR 82 9.907 -6.245 6.576 645 2HG2 THR 82 2HG2 THR 82 10.400 -7.430 7.786 646 3HG2 THR 82 1HG2 THR 82 11.126 -7.456 6.179 647 H CYS 83 HN CYS 83 5.985 -7.381 5.769 648 HA CYS 83 HA CYS 83 4.913 -9.933 5.219 649 1HB CYS 83 2HB CYS 83 3.898 -7.978 6.482 650 2HB CYS 83 1HB CYS 83 3.497 -7.269 4.917 651 H GLU 84 HN GLU 84 4.814 -7.029 3.121 652 HA GLU 84 HA GLU 84 3.544 -8.164 0.878 653 1HB GLU 84 2HB GLU 84 4.077 -5.765 1.299 654 2HB GLU 84 1HB GLU 84 5.776 -6.111 0.971 655 1HG GLU 84 2HG GLU 84 5.119 -6.937 -1.298 656 2HG GLU 84 1HG GLU 84 3.460 -6.441 -0.961 657 H ILE 85 HN ILE 85 6.961 -8.355 1.849 658 HA ILE 85 HA ILE 85 7.581 -9.860 -0.650 659 HB ILE 85 HB ILE 85 9.874 -9.373 -0.082 660 1HG1 ILE 85 2HG1 ILE 85 8.722 -8.696 2.629 661 2HG1 ILE 85 1HG1 ILE 85 9.969 -9.882 2.246 662 1HG2 ILE 85 3HG2 ILE 85 7.886 -7.387 -0.348 663 2HG2 ILE 85 2HG2 ILE 85 8.984 -6.805 0.904 664 3HG2 ILE 85 1HG2 ILE 85 9.608 -7.221 -0.693 665 1HD1 ILE 85 1HD1 ILE 85 11.244 -7.768 1.299 666 2HD1 ILE 85 3HD1 ILE 85 10.172 -6.894 2.393 667 3HD1 ILE 85 2HD1 ILE 85 11.270 -8.119 3.026 668 H CYS 86 HN CYS 86 6.244 -10.709 2.145 669 HA CYS 86 HA CYS 86 6.136 -12.742 3.346 670 1HB CYS 86 2HB CYS 86 6.866 -13.240 0.653 671 2HB CYS 86 1HB CYS 86 7.885 -14.285 1.645 672 H ALA 87 HN ALA 87 8.787 -10.875 3.207 673 HA ALA 87 HA ALA 87 10.977 -12.507 4.024 674 1HB ALA 87 3HB ALA 87 11.454 -10.171 5.267 675 2HB ALA 87 1HB ALA 87 10.117 -9.654 4.240 676 3HB ALA 87 2HB ALA 87 11.576 -10.330 3.515 677 H TYR 88 HN TYR 88 8.045 -11.725 5.614 678 HA TYR 88 HA TYR 88 9.109 -12.872 8.167 679 1HB TYR 88 2HB TYR 88 8.888 -10.330 8.089 680 2HB TYR 88 1HB TYR 88 7.149 -10.574 7.934 681 HD1 TYR 88 HD1 TYR 88 10.054 -11.591 10.073 682 HD2 TYR 88 HD2 TYR 88 5.840 -10.789 9.859 683 HE1 TYR 88 HE1 TYR 88 9.876 -11.873 12.531 684 HE2 TYR 88 HE2 TYR 88 5.660 -11.073 12.316 685 HH TYR 88 HH TYR 88 6.763 -11.410 14.210 686 H ALA 89 HN ALA 89 7.301 -13.731 9.540 687 HA ALA 89 HA ALA 89 5.443 -15.318 7.977 688 1HB ALA 89 1HB ALA 89 6.613 -15.344 10.500 689 2HB ALA 89 3HB ALA 89 4.910 -15.040 10.845 690 3HB ALA 89 2HB ALA 89 5.383 -16.473 9.931 691 H ALA 90 HN ALA 90 5.334 -12.099 8.651 692 HA ALA 90 HA ALA 90 2.698 -11.654 9.674 693 1HB ALA 90 3HB ALA 90 4.744 -10.140 8.078 694 2HB ALA 90 2HB ALA 90 3.148 -9.432 8.327 695 3HB ALA 90 1HB ALA 90 4.163 -9.830 9.714 696 H CYS 91 HN CYS 91 3.927 -11.904 6.323 697 HA CYS 91 HA CYS 91 1.147 -11.714 5.286 698 1HB CYS 91 2HB CYS 91 3.821 -11.072 4.417 699 2HB CYS 91 1HB CYS 91 3.045 -12.115 3.227 700 H THR 92 HN THR 92 0.050 -13.632 5.148 701 HA THR 92 HA THR 92 1.602 -16.136 4.609 702 HB THR 92 HB THR 92 -0.309 -17.242 5.649 703 HG1 THR 92 1HG THR 92 -1.431 -14.717 5.247 704 1HG2 THR 92 2HG2 THR 92 1.419 -15.506 6.933 705 2HG2 THR 92 1HG2 THR 92 -0.161 -15.008 7.537 706 3HG2 THR 92 3HG2 THR 92 0.370 -16.679 7.728 707 H GLY 93 HN GLY 93 0.269 -17.767 3.263 708 1HA GLY 93 1HA GLY 93 -1.426 -16.418 1.220 709 2HA GLY 93 2HA GLY 93 -1.367 -18.159 1.505 710 H CYS 94 HN CYS 94 1.531 -16.181 1.320 711 HA CYS 94 HA CYS 94 2.052 -17.013 -1.478 712 1HB CYS 94 2HB CYS 94 3.999 -15.484 -1.178 713 2HB CYS 94 1HB CYS 94 2.478 -14.706 -0.746 No H/Q in entry = 713 Start of MODEL 14 1 H1 VAL 1 3H VAL 1 -2.475 -12.939 0.451 2 H2 VAL 1 2H VAL 1 -1.328 -13.022 -0.799 3 H3 VAL 1 1H VAL 1 -1.122 -13.948 0.610 4 HA VAL 1 HA VAL 1 0.250 -12.271 1.223 5 HB VAL 1 HB VAL 1 -1.439 -10.691 -0.739 6 1HG1 VAL 1 3HG1 VAL 1 0.494 -9.816 1.295 7 2HG1 VAL 1 2HG1 VAL 1 0.892 -9.268 -0.334 8 3HG1 VAL 1 1HG1 VAL 1 -0.673 -8.868 0.373 9 1HG2 VAL 1 2HG2 VAL 1 0.471 -12.568 -1.231 10 2HG2 VAL 1 1HG2 VAL 1 0.151 -11.199 -2.295 11 3HG2 VAL 1 3HG2 VAL 1 1.466 -11.116 -1.123 12 H THR 2 HN THR 2 -1.556 -13.005 3.007 13 HA THR 2 HA THR 2 -2.888 -10.483 3.953 14 HB THR 2 HB THR 2 -3.646 -13.386 4.414 15 HG1 THR 2 1HG THR 2 -5.256 -12.964 2.912 16 1HG2 THR 2 3HG2 THR 2 -4.345 -11.068 5.825 17 2HG2 THR 2 2HG2 THR 2 -5.720 -11.388 4.768 18 3HG2 THR 2 1HG2 THR 2 -5.164 -12.629 5.892 19 H VAL 3 HN VAL 3 -2.754 -10.073 6.245 20 HA VAL 3 HA VAL 3 -0.329 -11.116 7.519 21 HB VAL 3 HB VAL 3 -2.526 -9.179 8.307 22 1HG1 VAL 3 1HG1 VAL 3 -0.958 -10.536 10.102 23 2HG1 VAL 3 3HG1 VAL 3 0.036 -9.116 9.773 24 3HG1 VAL 3 2HG1 VAL 3 -1.611 -8.921 10.375 25 1HG2 VAL 3 1HG2 VAL 3 0.043 -9.027 6.876 26 2HG2 VAL 3 3HG2 VAL 3 -1.323 -7.911 6.856 27 3HG2 VAL 3 2HG2 VAL 3 -0.133 -7.827 8.156 28 H GLN 4 HN GLN 4 -0.439 -13.119 8.487 29 HA GLN 4 HA GLN 4 -2.992 -13.881 9.859 30 1HB GLN 4 2HB GLN 4 -2.210 -15.272 7.952 31 2HB GLN 4 1HB GLN 4 -0.692 -15.557 8.801 32 1HG GLN 4 2HG GLN 4 -2.088 -16.485 10.722 33 2HG GLN 4 1HG GLN 4 -3.466 -16.443 9.624 34 1HE2 GLN 4 1HE2 GLN 4 -3.748 -18.297 8.374 35 2HE2 GLN 4 2HE2 GLN 4 -2.541 -19.445 8.050 36 H ASP 5 HN ASP 5 -2.921 -14.154 12.055 37 HA ASP 5 HA ASP 5 -0.321 -13.812 13.446 38 1HB ASP 5 2HB ASP 5 -2.335 -12.473 14.038 39 2HB ASP 5 1HB ASP 5 -3.182 -13.963 14.452 40 H GLY 6 HN GLY 6 -3.113 -15.769 14.417 41 1HA GLY 6 1HA GLY 6 -2.902 -17.838 15.649 42 2HA GLY 6 2HA GLY 6 -1.253 -17.996 15.042 43 H ASN 7 HN ASN 7 -4.081 -19.503 14.819 44 HA ASN 7 HA ASN 7 -3.445 -20.721 12.238 45 1HB ASN 7 2HB ASN 7 -5.728 -21.075 14.206 46 2HB ASN 7 1HB ASN 7 -5.356 -22.169 12.875 47 1HD2 ASN 7 1HD2 ASN 7 -5.296 -23.047 15.616 48 2HD2 ASN 7 2HD2 ASN 7 -3.688 -23.415 16.018 49 H PHE 8 HN PHE 8 -4.795 -17.828 12.779 50 HA PHE 8 HA PHE 8 -6.833 -18.157 10.599 51 1HB PHE 8 2HB PHE 8 -6.796 -16.333 13.026 52 2HB PHE 8 1HB PHE 8 -8.042 -16.316 11.776 53 HD1 PHE 8 HD1 PHE 8 -9.599 -18.199 11.516 54 HD2 PHE 8 HD2 PHE 8 -6.630 -18.166 14.620 55 HE1 PHE 8 HE1 PHE 8 -10.772 -20.062 12.659 56 HE2 PHE 8 HE2 PHE 8 -7.804 -20.026 15.763 57 HZ PHE 8 HZ PHE 8 -9.875 -20.974 14.782 58 H SER 9 HN SER 9 -6.632 -16.736 8.881 59 HA SER 9 HA SER 9 -4.259 -14.972 8.823 60 1HB SER 9 2HB SER 9 -4.720 -14.934 6.445 61 2HB SER 9 1HB SER 9 -4.955 -16.590 7.004 62 HG SER 9 HG SER 9 -6.701 -15.988 5.743 63 H PHE 10 HN PHE 10 -4.389 -12.757 9.002 64 HA PHE 10 HA PHE 10 -7.127 -11.533 9.093 65 1HB PHE 10 2HB PHE 10 -4.516 -10.773 10.445 66 2HB PHE 10 1HB PHE 10 -6.049 -9.924 10.652 67 HD1 PHE 10 HD1 PHE 10 -8.037 -11.214 11.583 68 HD2 PHE 10 HD2 PHE 10 -4.024 -12.729 11.692 69 HE1 PHE 10 HE1 PHE 10 -8.699 -12.829 13.345 70 HE2 PHE 10 HE2 PHE 10 -4.682 -14.346 13.454 71 HZ PHE 10 HZ PHE 10 -7.019 -14.396 14.280 72 H SER 11 HN SER 11 -7.532 -10.159 7.399 73 HA SER 11 HA SER 11 -5.476 -9.356 5.521 74 1HB SER 11 2HB SER 11 -8.341 -8.451 5.967 75 2HB SER 11 1HB SER 11 -7.393 -8.130 4.515 76 HG SER 11 HG SER 11 -8.243 -10.627 5.538 77 H LEU 12 HN LEU 12 -5.273 -6.916 4.949 78 HA LEU 12 HA LEU 12 -4.769 -5.419 7.482 79 1HB LEU 12 2HB LEU 12 -3.785 -5.045 4.636 80 2HB LEU 12 1HB LEU 12 -3.228 -4.130 6.035 81 HG LEU 12 HG LEU 12 -2.627 -6.408 7.073 82 1HD1 LEU 12 2HD1 LEU 12 -3.449 -7.163 4.306 83 2HD1 LEU 12 1HD1 LEU 12 -2.033 -7.973 4.976 84 3HD1 LEU 12 3HD1 LEU 12 -3.584 -8.079 5.808 85 1HD2 LEU 12 1HD2 LEU 12 -1.081 -4.668 5.902 86 2HD2 LEU 12 3HD2 LEU 12 -0.459 -6.299 6.157 87 3HD2 LEU 12 2HD2 LEU 12 -1.056 -5.821 4.568 88 H GLU 13 HN GLU 13 -7.203 -5.598 5.227 89 HA GLU 13 HA GLU 13 -7.636 -2.808 4.594 90 1HB GLU 13 2HB GLU 13 -9.504 -5.199 4.696 91 2HB GLU 13 1HB GLU 13 -9.845 -3.677 3.874 92 1HG GLU 13 2HG GLU 13 -7.880 -4.019 2.422 93 2HG GLU 13 1HG GLU 13 -7.534 -5.539 3.246 94 H SER 14 HN SER 14 -9.929 -4.792 6.452 95 HA SER 14 HA SER 14 -11.306 -2.849 7.815 96 1HB SER 14 2HB SER 14 -10.265 -5.350 9.151 97 2HB SER 14 1HB SER 14 -11.831 -4.572 9.386 98 HG SER 14 HG SER 14 -12.433 -5.188 7.343 99 H VAL 15 HN VAL 15 -8.210 -4.270 8.947 100 HA VAL 15 HA VAL 15 -8.010 -2.678 11.317 101 HB VAL 15 HB VAL 15 -5.564 -3.340 11.075 102 1HG1 VAL 15 2HG1 VAL 15 -7.757 -4.769 11.833 103 2HG1 VAL 15 1HG1 VAL 15 -7.114 -5.812 10.563 104 3HG1 VAL 15 3HG1 VAL 15 -6.105 -5.380 11.943 105 1HG2 VAL 15 2HG2 VAL 15 -6.617 -4.047 8.394 106 2HG2 VAL 15 1HG2 VAL 15 -4.979 -3.623 8.885 107 3HG2 VAL 15 3HG2 VAL 15 -5.582 -5.259 9.147 108 H LYS 16 HN LYS 16 -6.504 -2.230 8.082 109 HA LYS 16 HA LYS 16 -5.176 0.212 8.574 110 1HB LYS 16 2HB LYS 16 -4.977 -1.125 6.519 111 2HB LYS 16 1HB LYS 16 -6.662 -0.788 6.117 112 1HG LYS 16 2HG LYS 16 -6.074 1.672 6.113 113 2HG LYS 16 1HG LYS 16 -4.381 1.203 6.269 114 1HD LYS 16 2HD LYS 16 -4.593 -0.143 4.182 115 2HD LYS 16 1HD LYS 16 -6.256 0.421 4.015 116 1HE LYS 16 2HE LYS 16 -4.107 2.485 4.361 117 2HE LYS 16 1HE LYS 16 -4.274 1.700 2.778 118 1HZ LYS 16 1HZ LYS 16 -6.700 2.151 2.945 119 2HZ LYS 16 3HZ LYS 16 -6.403 3.072 4.338 120 3HZ LYS 16 2HZ LYS 16 -5.759 3.562 2.844 121 H LYS 17 HN LYS 17 -8.490 -0.263 7.288 122 HA LYS 17 HA LYS 17 -9.173 2.566 7.617 123 1HB LYS 17 2HB LYS 17 -10.773 0.065 6.975 124 2HB LYS 17 1HB LYS 17 -11.389 1.710 6.835 125 1HG LYS 17 2HG LYS 17 -9.571 2.222 5.214 126 2HG LYS 17 1HG LYS 17 -9.038 0.544 5.315 127 1HD LYS 17 2HD LYS 17 -11.318 -0.172 4.569 128 2HD LYS 17 1HD LYS 17 -11.742 1.525 4.351 129 1HE LYS 17 2HE LYS 17 -9.439 0.121 2.943 130 2HE LYS 17 1HE LYS 17 -11.007 0.502 2.206 131 1HZ LYS 17 1HZ LYS 17 -10.255 2.819 3.441 132 2HZ LYS 17 3HZ LYS 17 -8.798 2.243 2.792 133 3HZ LYS 17 2HZ LYS 17 -10.135 2.504 1.776 134 H LEU 18 HN LEU 18 -8.709 0.206 9.856 135 HA LEU 18 HA LEU 18 -11.025 0.078 11.460 136 1HB LEU 18 2HB LEU 18 -8.885 -1.209 11.651 137 2HB LEU 18 1HB LEU 18 -8.113 0.237 12.301 138 HG LEU 18 HG LEU 18 -9.420 0.188 14.271 139 1HD1 LEU 18 2HD1 LEU 18 -11.229 -1.634 12.679 140 2HD1 LEU 18 1HD1 LEU 18 -11.342 -1.524 14.436 141 3HD1 LEU 18 3HD1 LEU 18 -11.627 -0.095 13.444 142 1HD2 LEU 18 2HD2 LEU 18 -7.722 -1.683 14.038 143 2HD2 LEU 18 1HD2 LEU 18 -9.020 -2.007 15.189 144 3HD2 LEU 18 3HD2 LEU 18 -9.058 -2.743 13.587 145 H LYS 19 HN LYS 19 -8.518 2.601 11.268 146 HA LYS 19 HA LYS 19 -9.163 4.145 13.538 147 1HB LYS 19 2HB LYS 19 -7.275 4.505 11.953 148 2HB LYS 19 1HB LYS 19 -8.424 5.070 10.739 149 1HG LYS 19 2HG LYS 19 -7.571 7.045 11.778 150 2HG LYS 19 1HG LYS 19 -9.175 6.801 12.472 151 1HD LYS 19 2HD LYS 19 -8.175 5.715 14.439 152 2HD LYS 19 1HD LYS 19 -6.566 5.909 13.741 153 1HE LYS 19 2HE LYS 19 -7.633 8.482 13.622 154 2HE LYS 19 1HE LYS 19 -8.194 7.863 15.187 155 1HZ LYS 19 3HZ LYS 19 -5.434 7.325 14.316 156 2HZ LYS 19 2HZ LYS 19 -5.805 8.851 14.964 157 3HZ LYS 19 1HZ LYS 19 -6.055 7.448 15.889 158 H ASP 20 HN ASP 20 -10.672 4.141 10.309 159 HA ASP 20 HA ASP 20 -12.871 5.865 11.397 160 1HB ASP 20 2HB ASP 20 -13.211 6.476 9.038 161 2HB ASP 20 1HB ASP 20 -11.523 6.724 9.481 162 H LEU 21 HN LEU 21 -14.910 4.947 11.496 163 HA LEU 21 HA LEU 21 -15.217 2.108 10.861 164 1HB LEU 21 2HB LEU 21 -16.182 3.603 12.792 165 2HB LEU 21 1HB LEU 21 -17.434 3.998 11.612 166 HG LEU 21 HG LEU 21 -18.177 2.085 12.921 167 1HD1 LEU 21 2HD1 LEU 21 -18.295 2.197 10.265 168 2HD1 LEU 21 1HD1 LEU 21 -17.255 0.777 10.392 169 3HD1 LEU 21 3HD1 LEU 21 -18.853 0.769 11.138 170 1HD2 LEU 21 1HD2 LEU 21 -15.466 1.459 13.018 171 2HD2 LEU 21 3HD2 LEU 21 -16.779 0.450 13.625 172 3HD2 LEU 21 2HD2 LEU 21 -16.148 0.192 11.998 173 H GLN 22 HN GLN 22 -15.569 1.511 8.761 174 HA GLN 22 HA GLN 22 -17.742 2.842 7.243 175 1HB GLN 22 2HB GLN 22 -14.841 2.644 6.373 176 2HB GLN 22 1HB GLN 22 -16.159 3.082 5.287 177 1HG GLN 22 2HG GLN 22 -16.721 4.995 6.767 178 2HG GLN 22 1HG GLN 22 -15.368 4.566 7.814 179 1HE2 GLN 22 1HE2 GLN 22 -15.422 7.107 6.535 180 2HE2 GLN 22 2HE2 GLN 22 -14.200 7.155 5.358 181 H GLU 23 HN GLU 23 -18.083 1.555 5.111 182 HA GLU 23 HA GLU 23 -17.389 -1.335 5.545 183 1HB GLU 23 2HB GLU 23 -19.976 0.015 4.725 184 2HB GLU 23 1HB GLU 23 -19.711 -1.722 4.571 185 1HG GLU 23 2HG GLU 23 -19.026 -1.610 7.079 186 2HG GLU 23 1HG GLU 23 -19.856 -0.053 7.076 187 HA PRO 24 HA PRO 24 -16.049 0.274 1.335 188 1HB PRO 24 2HB PRO 24 -13.668 -1.289 1.740 189 2HB PRO 24 1HB PRO 24 -13.815 0.469 1.659 190 1HG PRO 24 2HG PRO 24 -13.285 -1.151 3.971 191 2HG PRO 24 1HG PRO 24 -13.435 0.606 3.889 192 1HD PRO 24 2HD PRO 24 -15.296 -1.283 5.038 193 2HD PRO 24 1HD PRO 24 -15.442 0.489 4.964 194 H GLN 25 HN GLN 25 -16.545 -0.976 -0.463 195 HA GLN 25 HA GLN 25 -17.535 -3.651 -0.204 196 1HB GLN 25 2HB GLN 25 -16.575 -2.041 -2.589 197 2HB GLN 25 1HB GLN 25 -17.530 -3.519 -2.702 198 1HG GLN 25 2HG GLN 25 -19.358 -2.471 -1.464 199 2HG GLN 25 1HG GLN 25 -18.397 -1.010 -1.232 200 1HE2 GLN 25 1HE2 GLN 25 -20.906 -0.897 -2.593 201 2HE2 GLN 25 2HE2 GLN 25 -20.622 -0.535 -4.226 202 H GLU 26 HN GLU 26 -14.374 -2.345 -1.068 203 HA GLU 26 HA GLU 26 -12.351 -3.454 -1.643 204 1HB GLU 26 2HB GLU 26 -13.637 -4.730 0.739 205 2HB GLU 26 1HB GLU 26 -12.167 -5.464 0.100 206 1HG GLU 26 2HG GLU 26 -12.501 -2.578 0.973 207 2HG GLU 26 1HG GLU 26 -11.573 -3.822 1.811 208 HA PRO 27 HA PRO 27 -14.844 -6.810 -3.940 209 1HB PRO 27 2HB PRO 27 -14.071 -5.500 -6.377 210 2HB PRO 27 1HB PRO 27 -15.697 -5.697 -5.720 211 1HG PRO 27 2HG PRO 27 -14.127 -3.292 -5.863 212 2HG PRO 27 1HG PRO 27 -15.758 -3.489 -5.217 213 1HD PRO 27 2HD PRO 27 -13.319 -3.023 -3.746 214 2HD PRO 27 1HD PRO 27 -14.963 -3.237 -3.098 215 H ARG 28 HN ARG 28 -11.883 -5.087 -4.921 216 HA ARG 28 HA ARG 28 -10.477 -7.722 -5.094 217 1HB ARG 28 2HB ARG 28 -10.515 -5.446 -7.100 218 2HB ARG 28 1HB ARG 28 -9.410 -6.816 -7.191 219 1HG ARG 28 2HG ARG 28 -11.365 -8.354 -7.260 220 2HG ARG 28 1HG ARG 28 -12.440 -6.957 -7.247 221 1HD ARG 28 2HD ARG 28 -12.147 -7.670 -9.564 222 2HD ARG 28 1HD ARG 28 -11.257 -6.150 -9.348 223 HE ARG 28 HE ARG 28 -9.498 -8.268 -8.658 224 1HH1 ARG 28 1HH1 ARG 28 -11.453 -8.559 -11.300 225 2HH1 ARG 28 2HH1 ARG 28 -10.202 -8.456 -12.492 226 1HH2 ARG 28 1HH2 ARG 28 -7.760 -7.480 -10.231 227 2HH2 ARG 28 2HH2 ARG 28 -8.111 -7.844 -11.887 228 H VAL 29 HN VAL 29 -8.093 -7.462 -4.913 229 HA VAL 29 HA VAL 29 -7.262 -5.753 -2.810 230 HB VAL 29 HB VAL 29 -5.037 -6.526 -3.435 231 1HG1 VAL 29 1HG1 VAL 29 -6.936 -8.153 -2.649 232 2HG1 VAL 29 3HG1 VAL 29 -6.837 -8.777 -4.296 233 3HG1 VAL 29 2HG1 VAL 29 -5.420 -8.829 -3.248 234 1HG2 VAL 29 3HG2 VAL 29 -6.318 -6.667 -6.105 235 2HG2 VAL 29 2HG2 VAL 29 -4.646 -6.306 -5.676 236 3HG2 VAL 29 1HG2 VAL 29 -5.201 -7.979 -5.726 237 H GLY 30 HN GLY 30 -6.644 -3.617 -2.792 238 1HA GLY 30 1HA GLY 30 -6.531 -1.416 -3.674 239 2HA GLY 30 2HA GLY 30 -6.800 -2.080 -5.285 240 H LYS 31 HN LYS 31 -4.951 -0.356 -5.560 241 HA LYS 31 HA LYS 31 -2.543 -1.701 -6.252 242 1HB LYS 31 2HB LYS 31 -3.144 1.217 -5.666 243 2HB LYS 31 1HB LYS 31 -1.704 0.645 -6.508 244 1HG LYS 31 2HG LYS 31 -3.186 -0.431 -8.212 245 2HG LYS 31 1HG LYS 31 -4.581 0.283 -7.402 246 1HD LYS 31 2HD LYS 31 -3.558 2.543 -7.750 247 2HD LYS 31 1HD LYS 31 -2.268 1.777 -8.676 248 1HE LYS 31 2HE LYS 31 -3.587 1.831 -10.518 249 2HE LYS 31 1HE LYS 31 -4.779 0.816 -9.683 250 1HZ LYS 31 1HZ LYS 31 -5.281 3.040 -8.442 251 2HZ LYS 31 3HZ LYS 31 -4.603 3.752 -9.824 252 3HZ LYS 31 2HZ LYS 31 -5.968 2.751 -9.969 253 H LEU 32 HN LEU 32 -3.283 0.362 -3.416 254 HA LEU 32 HA LEU 32 -1.107 -1.029 -1.926 255 1HB LEU 32 2HB LEU 32 -1.425 1.982 -2.146 256 2HB LEU 32 1HB LEU 32 -0.150 1.126 -1.278 257 HG LEU 32 HG LEU 32 -0.641 0.909 -4.264 258 1HD1 LEU 32 1HD1 LEU 32 0.165 3.166 -3.463 259 2HD1 LEU 32 3HD1 LEU 32 1.589 2.356 -2.810 260 3HD1 LEU 32 2HD1 LEU 32 1.283 2.338 -4.547 261 1HD2 LEU 32 1HD2 LEU 32 0.490 -0.989 -2.841 262 2HD2 LEU 32 3HD2 LEU 32 1.247 -0.468 -4.346 263 3HD2 LEU 32 2HD2 LEU 32 1.863 0.117 -2.801 264 H ARG 33 HN ARG 33 -1.614 -1.274 0.255 265 HA ARG 33 HA ARG 33 -4.209 -0.082 1.165 266 1HB ARG 33 2HB ARG 33 -2.691 -2.583 1.979 267 2HB ARG 33 1HB ARG 33 -4.221 -2.069 2.688 268 1HG ARG 33 2HG ARG 33 -5.249 -2.147 0.411 269 2HG ARG 33 1HG ARG 33 -3.730 -2.785 -0.219 270 1HD ARG 33 2HD ARG 33 -5.418 -4.093 1.948 271 2HD ARG 33 1HD ARG 33 -5.295 -4.636 0.264 272 HE ARG 33 HE ARG 33 -3.054 -4.657 2.243 273 1HH1 ARG 33 1HH1 ARG 33 -4.296 -7.132 0.951 274 2HH1 ARG 33 2HH1 ARG 33 -3.110 -7.506 -0.255 275 1HH2 ARG 33 1HH2 ARG 33 -1.567 -4.404 -0.078 276 2HH2 ARG 33 2HH2 ARG 33 -1.565 -5.961 -0.837 277 H ASN 34 HN ASN 34 -2.166 1.679 1.417 278 HA ASN 34 HA ASN 34 -1.268 1.436 4.272 279 1HB ASN 34 2HB ASN 34 -0.037 2.915 1.924 280 2HB ASN 34 1HB ASN 34 0.659 2.785 3.539 281 1HD2 ASN 34 1HD2 ASN 34 1.570 1.683 0.794 282 2HD2 ASN 34 2HD2 ASN 34 1.843 0.033 1.090 283 H PHE 35 HN PHE 35 -2.022 3.022 5.633 284 HA PHE 35 HA PHE 35 -2.448 5.761 4.872 285 1HB PHE 35 2HB PHE 35 -4.259 4.542 3.600 286 2HB PHE 35 1HB PHE 35 -4.944 4.062 5.152 287 HD1 PHE 35 HD1 PHE 35 -4.091 6.976 3.009 288 HD2 PHE 35 HD2 PHE 35 -6.195 5.599 6.492 289 HE1 PHE 35 HE1 PHE 35 -5.249 9.163 3.174 290 HE2 PHE 35 HE2 PHE 35 -7.352 7.786 6.657 291 HZ PHE 35 HZ PHE 35 -6.879 9.567 4.999 292 H ALA 36 HN ALA 36 -3.257 3.089 7.030 293 HA ALA 36 HA ALA 36 -4.300 4.476 9.255 294 1HB ALA 36 2HB ALA 36 -4.215 2.040 9.009 295 2HB ALA 36 3HB ALA 36 -3.407 2.507 10.505 296 3HB ALA 36 1HB ALA 36 -2.454 2.073 9.086 297 HA PRO 37 HA PRO 37 -0.625 7.014 10.005 298 1HB PRO 37 2HB PRO 37 -2.096 8.187 12.180 299 2HB PRO 37 1HB PRO 37 -1.734 8.897 10.605 300 1HG PRO 37 2HG PRO 37 -4.269 7.971 11.572 301 2HG PRO 37 1HG PRO 37 -3.901 8.652 9.986 302 1HD PRO 37 2HD PRO 37 -4.500 5.897 10.654 303 2HD PRO 37 1HD PRO 37 -4.184 6.594 9.047 304 H ILE 38 HN ILE 38 0.365 4.940 10.838 305 HA ILE 38 HA ILE 38 1.276 3.593 12.549 306 HB ILE 38 HB ILE 38 2.405 4.917 14.113 307 1HG1 ILE 38 2HG1 ILE 38 -0.137 5.893 14.739 308 2HG1 ILE 38 1HG1 ILE 38 1.371 6.333 15.529 309 1HG2 ILE 38 2HG2 ILE 38 2.806 5.719 11.808 310 2HG2 ILE 38 1HG2 ILE 38 1.506 6.895 12.001 311 3HG2 ILE 38 3HG2 ILE 38 2.963 7.021 12.986 312 1HD1 ILE 38 1HD1 ILE 38 0.445 7.716 13.009 313 2HD1 ILE 38 3HD1 ILE 38 -0.069 8.258 14.606 314 3HD1 ILE 38 2HD1 ILE 38 1.642 8.266 14.181 315 HA PRO 39 HA PRO 39 -1.702 1.984 15.324 316 1HB PRO 39 2HB PRO 39 -0.050 1.980 17.677 317 2HB PRO 39 1HB PRO 39 -0.395 0.633 16.588 318 1HG PRO 39 2HG PRO 39 2.069 2.068 16.880 319 2HG PRO 39 1HG PRO 39 1.712 0.748 15.764 320 1HD PRO 39 2HD PRO 39 2.061 3.558 15.157 321 2HD PRO 39 1HD PRO 39 1.768 2.220 14.023 322 H GLY 40 HN GLY 40 -3.304 2.783 16.717 323 1HA GLY 40 1HA GLY 40 -4.454 4.750 17.529 324 2HA GLY 40 2HA GLY 40 -2.891 5.540 17.737 325 H GLU 41 HN GLU 41 -4.897 2.906 19.022 326 HA GLU 41 HA GLU 41 -3.292 2.636 21.451 327 1HB GLU 41 2HB GLU 41 -5.093 3.612 22.903 328 2HB GLU 41 1HB GLU 41 -4.348 4.803 21.837 329 1HG GLU 41 2HG GLU 41 -6.297 4.051 20.196 330 2HG GLU 41 1HG GLU 41 -7.079 3.580 21.706 331 HA PRO 42 HA PRO 42 -5.426 -1.250 21.014 332 1HB PRO 42 2HB PRO 42 -4.641 -1.934 23.696 333 2HB PRO 42 1HB PRO 42 -3.935 -2.496 22.179 334 1HG PRO 42 2HG PRO 42 -2.809 -0.654 24.078 335 2HG PRO 42 1HG PRO 42 -2.099 -1.226 22.567 336 1HD PRO 42 2HD PRO 42 -3.152 1.396 23.143 337 2HD PRO 42 1HD PRO 42 -2.453 0.815 21.614 338 H VAL 43 HN VAL 43 -7.609 -1.502 21.356 339 HA VAL 43 HA VAL 43 -8.749 -0.729 24.009 340 HB VAL 43 HB VAL 43 -8.969 1.146 22.407 341 1HG1 VAL 43 2HG1 VAL 43 -9.476 -0.997 20.593 342 2HG1 VAL 43 1HG1 VAL 43 -10.917 0.019 20.635 343 3HG1 VAL 43 3HG1 VAL 43 -9.353 0.726 20.230 344 1HG2 VAL 43 3HG2 VAL 43 -10.797 0.519 24.085 345 2HG2 VAL 43 2HG2 VAL 43 -11.305 1.525 22.728 346 3HG2 VAL 43 1HG2 VAL 43 -11.656 -0.203 22.726 347 H VAL 44 HN VAL 44 -10.342 -2.160 24.692 348 HA VAL 44 HA VAL 44 -11.706 -3.918 22.745 349 HB VAL 44 HB VAL 44 -9.736 -4.861 24.850 350 1HG1 VAL 44 2HG1 VAL 44 -11.812 -6.376 23.250 351 2HG1 VAL 44 1HG1 VAL 44 -10.404 -7.163 23.966 352 3HG1 VAL 44 3HG1 VAL 44 -11.591 -6.366 25.000 353 1HG2 VAL 44 3HG2 VAL 44 -9.855 -4.839 21.848 354 2HG2 VAL 44 2HG2 VAL 44 -8.509 -4.424 22.911 355 3HG2 VAL 44 1HG2 VAL 44 -8.956 -6.113 22.670 356 HA PRO 45 HA PRO 45 -14.228 -2.569 26.414 357 1HB PRO 45 2HB PRO 45 -16.448 -2.622 24.579 358 2HB PRO 45 1HB PRO 45 -15.698 -1.216 25.338 359 1HG PRO 45 2HG PRO 45 -15.535 -2.043 22.590 360 2HG PRO 45 1HG PRO 45 -14.790 -0.632 23.346 361 1HD PRO 45 2HD PRO 45 -13.489 -3.035 22.421 362 2HD PRO 45 1HD PRO 45 -12.741 -1.620 23.196 363 H ILE 46 HN ILE 46 -17.003 -3.695 25.792 364 HA ILE 46 HA ILE 46 -16.789 -6.230 27.041 365 HB ILE 46 HB ILE 46 -18.845 -5.158 25.071 366 1HG1 ILE 46 2HG1 ILE 46 -18.813 -5.066 28.102 367 2HG1 ILE 46 1HG1 ILE 46 -18.367 -3.710 27.066 368 1HG2 ILE 46 3HG2 ILE 46 -18.927 -7.412 27.095 369 2HG2 ILE 46 2HG2 ILE 46 -20.376 -6.705 26.378 370 3HG2 ILE 46 1HG2 ILE 46 -19.195 -7.523 25.354 371 1HD1 ILE 46 1HD1 ILE 46 -20.685 -4.099 25.947 372 2HD1 ILE 46 3HD1 ILE 46 -21.063 -5.014 27.406 373 3HD1 ILE 46 2HD1 ILE 46 -20.640 -3.305 27.520 374 H LEU 47 HN LEU 47 -16.748 -5.285 23.645 375 HA LEU 47 HA LEU 47 -15.692 -7.990 22.937 376 1HB LEU 47 2HB LEU 47 -17.780 -6.350 21.455 377 2HB LEU 47 1HB LEU 47 -17.145 -7.909 20.932 378 HG LEU 47 HG LEU 47 -18.694 -7.370 23.485 379 1HD1 LEU 47 1HD1 LEU 47 -19.753 -7.586 21.031 380 2HD1 LEU 47 3HD1 LEU 47 -19.563 -9.303 21.385 381 3HD1 LEU 47 2HD1 LEU 47 -20.537 -8.287 22.447 382 1HD2 LEU 47 1HD2 LEU 47 -16.848 -9.468 22.769 383 2HD2 LEU 47 3HD2 LEU 47 -17.745 -9.253 24.272 384 3HD2 LEU 47 2HD2 LEU 47 -18.471 -10.137 22.930 385 H CYS 48 HN CYS 48 -16.500 -5.148 20.951 386 HA CYS 48 HA CYS 48 -13.592 -4.565 20.613 387 1HB CYS 48 2HB CYS 48 -15.657 -5.268 18.514 388 2HB CYS 48 1HB CYS 48 -14.159 -4.431 18.108 389 H SER 49 HN SER 49 -13.205 -2.354 20.357 390 HA SER 49 HA SER 49 -15.171 -0.446 21.100 391 1HB SER 49 2HB SER 49 -12.665 -0.257 21.187 392 2HB SER 49 1HB SER 49 -12.670 -0.034 19.437 393 HG SER 49 HG SER 49 -12.977 1.980 19.901 394 H ASN 50 HN ASN 50 -13.886 -1.220 17.858 395 HA ASN 50 HA ASN 50 -15.768 0.578 16.525 396 1HB ASN 50 2HB ASN 50 -13.511 -1.231 15.879 397 2HB ASN 50 1HB ASN 50 -14.695 -1.011 14.590 398 1HD2 ASN 50 1HD2 ASN 50 -15.455 1.677 15.003 399 2HD2 ASN 50 2HD2 ASN 50 -14.111 2.686 14.761 400 HA PRO 51 HA PRO 51 -19.025 -2.528 16.777 401 1HB PRO 51 2HB PRO 51 -20.582 -0.812 15.071 402 2HB PRO 51 1HB PRO 51 -20.760 -1.072 16.808 403 1HG PRO 51 2HG PRO 51 -19.745 1.257 15.462 404 2HG PRO 51 1HG PRO 51 -19.938 1.003 17.198 405 1HD PRO 51 2HD PRO 51 -17.482 1.098 15.693 406 2HD PRO 51 1HD PRO 51 -17.679 0.812 17.438 407 H ASN 52 HN ASN 52 -17.254 -1.355 14.101 408 HA ASN 52 HA ASN 52 -18.225 -3.639 12.436 409 1HB ASN 52 2HB ASN 52 -17.848 -0.746 11.610 410 2HB ASN 52 1HB ASN 52 -18.194 -2.062 10.489 411 1HD2 ASN 52 1HD2 ASN 52 -20.134 -3.526 11.868 412 2HD2 ASN 52 2HD2 ASN 52 -21.506 -2.563 12.140 413 H PHE 53 HN PHE 53 -15.816 -3.336 14.057 414 HA PHE 53 HA PHE 53 -13.558 -2.629 12.366 415 1HB PHE 53 2HB PHE 53 -12.318 -3.214 14.277 416 2HB PHE 53 1HB PHE 53 -13.885 -2.823 14.986 417 HD1 PHE 53 HD1 PHE 53 -15.615 -4.897 14.945 418 HD2 PHE 53 HD2 PHE 53 -11.330 -5.228 14.952 419 HE1 PHE 53 HE1 PHE 53 -15.794 -7.197 15.850 420 HE2 PHE 53 HE2 PHE 53 -11.511 -7.537 15.858 421 HZ PHE 53 HZ PHE 53 -13.744 -8.514 16.306 422 HA PRO 54 HA PRO 54 -12.622 -6.408 10.289 423 1HB PRO 54 2HB PRO 54 -10.431 -7.358 11.910 424 2HB PRO 54 1HB PRO 54 -10.353 -6.565 10.340 425 1HG PRO 54 2HG PRO 54 -9.640 -5.493 12.906 426 2HG PRO 54 1HG PRO 54 -9.570 -4.683 11.339 427 1HD PRO 54 2HD PRO 54 -11.407 -4.194 13.496 428 2HD PRO 54 1HD PRO 54 -11.366 -3.395 11.909 429 H GLU 55 HN GLU 55 -14.722 -7.072 11.446 430 HA GLU 55 HA GLU 55 -15.046 -8.507 13.771 431 1HB GLU 55 2HB GLU 55 -16.763 -7.922 12.068 432 2HB GLU 55 1HB GLU 55 -16.157 -9.225 11.040 433 1HG GLU 55 2HG GLU 55 -16.652 -10.855 12.847 434 2HG GLU 55 1HG GLU 55 -17.305 -9.545 13.832 435 H GLU 56 HN GLU 56 -13.580 -9.729 10.761 436 HA GLU 56 HA GLU 56 -13.403 -12.480 11.365 437 1HB GLU 56 2HB GLU 56 -12.713 -11.268 9.261 438 2HB GLU 56 1HB GLU 56 -11.274 -10.709 10.114 439 1HG GLU 56 2HG GLU 56 -10.655 -13.088 10.547 440 2HG GLU 56 1HG GLU 56 -12.045 -13.595 9.589 441 H LEU 57 HN LEU 57 -11.921 -9.770 12.873 442 HA LEU 57 HA LEU 57 -9.822 -11.371 14.229 443 1HB LEU 57 2HB LEU 57 -10.596 -8.450 14.060 444 2HB LEU 57 1HB LEU 57 -9.336 -9.021 15.157 445 HG LEU 57 HG LEU 57 -8.181 -10.068 13.220 446 1HD1 LEU 57 2HD1 LEU 57 -10.599 -9.009 11.833 447 2HD1 LEU 57 1HD1 LEU 57 -9.070 -8.958 10.958 448 3HD1 LEU 57 3HD1 LEU 57 -9.703 -10.496 11.543 449 1HD2 LEU 57 1HD2 LEU 57 -8.594 -7.196 13.646 450 2HD2 LEU 57 3HD2 LEU 57 -7.090 -8.087 13.418 451 3HD2 LEU 57 2HD2 LEU 57 -8.033 -7.574 12.018 452 H LYS 58 HN LYS 58 -12.953 -11.268 14.623 453 HA LYS 58 HA LYS 58 -13.828 -10.311 17.035 454 1HB LYS 58 2HB LYS 58 -14.341 -12.586 15.299 455 2HB LYS 58 1HB LYS 58 -14.673 -12.989 16.984 456 1HG LYS 58 2HG LYS 58 -16.201 -11.153 17.208 457 2HG LYS 58 1HG LYS 58 -15.700 -10.465 15.664 458 1HD LYS 58 2HD LYS 58 -17.085 -11.825 14.496 459 2HD LYS 58 1HD LYS 58 -16.612 -13.241 15.434 460 1HE LYS 58 2HE LYS 58 -18.682 -13.117 16.378 461 2HE LYS 58 1HE LYS 58 -18.081 -11.690 17.245 462 1HZ LYS 58 3HZ LYS 58 -18.964 -11.452 14.442 463 2HZ LYS 58 2HZ LYS 58 -20.126 -11.460 15.682 464 3HZ LYS 58 1HZ LYS 58 -18.919 -10.264 15.652 465 HA PRO 59 HA PRO 59 -11.802 -14.123 19.334 466 1HB PRO 59 2HB PRO 59 -9.453 -14.734 17.778 467 2HB PRO 59 1HB PRO 59 -10.811 -15.795 18.164 468 1HG PRO 59 2HG PRO 59 -10.181 -14.524 15.640 469 2HG PRO 59 1HG PRO 59 -11.467 -15.680 15.994 470 1HD PRO 59 2HD PRO 59 -11.769 -12.906 15.434 471 2HD PRO 59 1HD PRO 59 -13.038 -14.019 15.991 472 H LEU 60 HN LEU 60 -9.613 -12.077 17.334 473 HA LEU 60 HA LEU 60 -7.580 -11.569 19.172 474 1HB LEU 60 2HB LEU 60 -8.244 -10.701 16.720 475 2HB LEU 60 1HB LEU 60 -8.753 -9.286 17.639 476 HG LEU 60 HG LEU 60 -6.303 -9.857 18.760 477 1HD1 LEU 60 1HD1 LEU 60 -6.412 -11.258 16.291 478 2HD1 LEU 60 3HD1 LEU 60 -5.362 -9.865 16.041 479 3HD1 LEU 60 2HD1 LEU 60 -5.006 -11.017 17.328 480 1HD2 LEU 60 1HD2 LEU 60 -7.475 -7.722 17.637 481 2HD2 LEU 60 3HD2 LEU 60 -5.742 -7.768 17.961 482 3HD2 LEU 60 2HD2 LEU 60 -6.345 -8.112 16.340 483 H CYS 61 HN CYS 61 -10.711 -9.867 18.878 484 HA CYS 61 HA CYS 61 -10.283 -8.110 21.121 485 1HB CYS 61 2HB CYS 61 -12.744 -9.141 19.676 486 2HB CYS 61 1HB CYS 61 -12.783 -7.841 20.868 487 H LYS 62 HN LYS 62 -11.464 -11.409 20.816 488 HA LYS 62 HA LYS 62 -12.553 -11.475 23.553 489 1HB LYS 62 2HB LYS 62 -12.096 -13.581 21.414 490 2HB LYS 62 1HB LYS 62 -12.997 -13.845 22.908 491 1HG LYS 62 2HG LYS 62 -14.599 -12.092 22.269 492 2HG LYS 62 1HG LYS 62 -13.683 -11.777 20.795 493 1HD LYS 62 2HD LYS 62 -15.546 -13.224 20.232 494 2HD LYS 62 1HD LYS 62 -14.063 -14.174 20.130 495 1HE LYS 62 2HE LYS 62 -14.824 -15.598 21.723 496 2HE LYS 62 1HE LYS 62 -15.132 -14.249 22.833 497 1HZ LYS 62 2HZ LYS 62 -17.124 -13.759 21.377 498 2HZ LYS 62 1HZ LYS 62 -16.890 -15.290 20.678 499 3HZ LYS 62 3HZ LYS 62 -17.240 -15.158 22.333 500 H GLU 63 HN GLU 63 -9.466 -11.410 22.441 501 HA GLU 63 HA GLU 63 -8.515 -13.326 24.548 502 1HB GLU 63 2HB GLU 63 -6.577 -13.698 23.075 503 2HB GLU 63 1HB GLU 63 -8.076 -14.027 22.208 504 1HG GLU 63 2HG GLU 63 -7.929 -12.060 20.947 505 2HG GLU 63 1HG GLU 63 -6.857 -11.279 22.110 506 HA PRO 64 HA PRO 64 -6.663 -9.885 26.560 507 1HB PRO 64 2HB PRO 64 -4.400 -11.454 27.388 508 2HB PRO 64 1HB PRO 64 -5.821 -11.008 28.335 509 1HG PRO 64 2HG PRO 64 -5.140 -13.594 27.289 510 2HG PRO 64 1HG PRO 64 -6.568 -13.145 28.225 511 1HD PRO 64 2HD PRO 64 -6.419 -13.797 25.413 512 2HD PRO 64 1HD PRO 64 -7.861 -13.365 26.361 513 H ASN 65 HN ASN 65 -5.013 -11.728 24.115 514 HA ASN 65 HA ASN 65 -2.629 -10.041 23.999 515 1HB ASN 65 2HB ASN 65 -3.828 -12.026 22.041 516 2HB ASN 65 1HB ASN 65 -2.170 -11.425 22.013 517 1HD2 ASN 65 1HD2 ASN 65 -1.522 -11.520 24.763 518 2HD2 ASN 65 2HD2 ASN 65 -1.562 -13.132 25.293 519 H ALA 66 HN ALA 66 -5.855 -9.713 22.879 520 HA ALA 66 HA ALA 66 -5.670 -8.450 20.391 521 1HB ALA 66 1HB ALA 66 -7.543 -8.833 22.414 522 2HB ALA 66 2HB ALA 66 -7.851 -8.035 20.872 523 3HB ALA 66 3HB ALA 66 -7.427 -7.078 22.292 524 H GLN 67 HN GLN 67 -5.059 -7.069 23.615 525 HA GLN 67 HA GLN 67 -4.730 -4.348 22.918 526 1HB GLN 67 2HB GLN 67 -4.819 -5.407 25.197 527 2HB GLN 67 1HB GLN 67 -3.170 -5.980 24.946 528 1HG GLN 67 2HG GLN 67 -2.479 -3.588 24.561 529 2HG GLN 67 1HG GLN 67 -4.106 -3.098 25.031 530 1HE2 GLN 67 1HE2 GLN 67 -0.996 -4.012 26.242 531 2HE2 GLN 67 2HE2 GLN 67 -1.410 -4.060 27.887 532 H GLU 68 HN GLU 68 -2.297 -6.979 22.937 533 HA GLU 68 HA GLU 68 -0.180 -5.221 21.941 534 1HB GLU 68 2HB GLU 68 -0.467 -8.218 22.313 535 2HB GLU 68 1HB GLU 68 1.040 -7.423 21.858 536 1HG GLU 68 2HG GLU 68 0.919 -6.054 23.928 537 2HG GLU 68 1HG GLU 68 -0.551 -6.914 24.390 538 H ILE 69 HN ILE 69 -2.396 -7.628 20.566 539 HA ILE 69 HA ILE 69 -1.154 -7.769 17.963 540 HB ILE 69 HB ILE 69 -4.005 -8.262 18.890 541 1HG1 ILE 69 2HG1 ILE 69 -1.710 -10.214 18.542 542 2HG1 ILE 69 1HG1 ILE 69 -2.204 -9.542 20.096 543 1HG2 ILE 69 1HG2 ILE 69 -2.602 -8.583 16.309 544 2HG2 ILE 69 3HG2 ILE 69 -3.512 -9.999 16.837 545 3HG2 ILE 69 2HG2 ILE 69 -4.328 -8.448 16.642 546 1HD1 ILE 69 2HD1 ILE 69 -4.602 -10.416 19.091 547 2HD1 ILE 69 1HD1 ILE 69 -3.492 -11.627 18.450 548 3HD1 ILE 69 3HD1 ILE 69 -3.587 -11.349 20.189 549 H LEU 70 HN LEU 70 -3.988 -5.949 19.182 550 HA LEU 70 HA LEU 70 -4.849 -4.634 16.905 551 1HB LEU 70 2HB LEU 70 -5.837 -4.402 19.135 552 2HB LEU 70 1HB LEU 70 -4.410 -3.535 19.701 553 HG LEU 70 HG LEU 70 -6.563 -2.213 18.882 554 1HD1 LEU 70 1HD1 LEU 70 -4.151 -1.437 19.544 555 2HD1 LEU 70 3HD1 LEU 70 -3.927 -1.243 17.805 556 3HD1 LEU 70 2HD1 LEU 70 -5.186 -0.333 18.639 557 1HD2 LEU 70 3HD2 LEU 70 -6.409 -3.456 16.637 558 2HD2 LEU 70 2HD2 LEU 70 -6.595 -1.705 16.558 559 3HD2 LEU 70 1HD2 LEU 70 -5.011 -2.436 16.297 560 H GLN 71 HN GLN 71 -2.446 -3.154 19.130 561 HA GLN 71 HA GLN 71 -1.630 -1.015 17.538 562 1HB GLN 71 2HB GLN 71 -0.964 -1.608 19.893 563 2HB GLN 71 1HB GLN 71 0.144 -2.805 19.224 564 1HG GLN 71 2HG GLN 71 1.256 -0.976 17.923 565 2HG GLN 71 1HG GLN 71 0.211 0.189 18.739 566 1HE2 GLN 71 1HE2 GLN 71 1.276 1.148 20.471 567 2HE2 GLN 71 2HE2 GLN 71 2.400 0.374 21.481 568 H ARG 72 HN ARG 72 -0.113 -4.267 17.590 569 HA ARG 72 HA ARG 72 1.794 -3.910 15.563 570 1HB ARG 72 2HB ARG 72 0.043 -6.288 16.271 571 2HB ARG 72 1HB ARG 72 1.481 -6.394 15.256 572 1HG ARG 72 2HG ARG 72 2.848 -5.487 17.110 573 2HG ARG 72 1HG ARG 72 1.407 -5.403 18.124 574 1HD ARG 72 2HD ARG 72 2.534 -7.472 18.684 575 2HD ARG 72 1HD ARG 72 1.129 -7.919 17.697 576 HE ARG 72 HE ARG 72 3.440 -7.363 16.039 577 1HH1 ARG 72 1HH1 ARG 72 1.256 -9.672 16.222 578 2HH1 ARG 72 2HH1 ARG 72 2.321 -11.036 16.298 579 1HH2 ARG 72 1HH2 ARG 72 5.145 -9.134 16.952 580 2HH2 ARG 72 2HH2 ARG 72 4.521 -10.732 16.710 581 H LEU 73 HN LEU 73 -1.493 -5.286 15.094 582 HA LEU 73 HA LEU 73 -1.569 -5.457 12.321 583 1HB LEU 73 2HB LEU 73 -3.703 -4.478 14.250 584 2HB LEU 73 1HB LEU 73 -4.020 -5.077 12.621 585 HG LEU 73 HG LEU 73 -2.808 -6.626 14.929 586 1HD1 LEU 73 3HD1 LEU 73 -5.475 -6.409 13.686 587 2HD1 LEU 73 2HD1 LEU 73 -4.910 -8.064 13.914 588 3HD1 LEU 73 1HD1 LEU 73 -5.026 -6.975 15.295 589 1HD2 LEU 73 3HD2 LEU 73 -3.135 -7.327 12.000 590 2HD2 LEU 73 2HD2 LEU 73 -1.637 -7.291 12.931 591 3HD2 LEU 73 1HD2 LEU 73 -2.849 -8.531 13.257 592 H GLU 74 HN GLU 74 -2.367 -2.564 14.276 593 HA GLU 74 HA GLU 74 -2.970 -0.774 12.184 594 1HB GLU 74 2HB GLU 74 -1.522 -0.319 14.815 595 2HB GLU 74 1HB GLU 74 -2.315 0.938 13.865 596 1HG GLU 74 2HG GLU 74 -4.469 -0.266 14.091 597 2HG GLU 74 1HG GLU 74 -3.669 -1.496 15.069 598 H GLU 75 HN GLU 75 0.229 -1.649 13.553 599 HA GLU 75 HA GLU 75 1.790 0.231 12.086 600 1HB GLU 75 2HB GLU 75 2.352 -2.560 13.138 601 2HB GLU 75 1HB GLU 75 3.603 -1.450 12.580 602 1HG GLU 75 2HG GLU 75 2.823 0.216 14.269 603 2HG GLU 75 1HG GLU 75 1.666 -0.973 14.865 604 H ILE 76 HN ILE 76 1.173 -3.232 11.361 605 HA ILE 76 HA ILE 76 2.423 -3.215 8.786 606 HB ILE 76 HB ILE 76 0.180 -4.905 9.943 607 1HG1 ILE 76 2HG1 ILE 76 3.196 -5.232 9.938 608 2HG1 ILE 76 1HG1 ILE 76 2.180 -4.925 11.345 609 1HG2 ILE 76 3HG2 ILE 76 1.901 -5.141 7.487 610 2HG2 ILE 76 2HG2 ILE 76 1.334 -6.599 8.303 611 3HG2 ILE 76 1HG2 ILE 76 0.171 -5.438 7.664 612 1HD1 ILE 76 3HD1 ILE 76 0.934 -7.114 10.425 613 2HD1 ILE 76 2HD1 ILE 76 2.542 -7.436 9.776 614 3HD1 ILE 76 1HD1 ILE 76 2.319 -7.219 11.511 615 H ALA 77 HN ALA 77 -0.963 -2.724 9.784 616 HA ALA 77 HA ALA 77 -2.220 -2.561 7.272 617 1HB ALA 77 3HB ALA 77 -3.264 -2.459 9.552 618 2HB ALA 77 2HB ALA 77 -2.673 -0.805 9.709 619 3HB ALA 77 1HB ALA 77 -3.864 -1.202 8.472 620 H GLU 78 HN GLU 78 -0.302 -0.129 9.000 621 HA GLU 78 HA GLU 78 -0.798 2.075 7.228 622 1HB GLU 78 2HB GLU 78 0.147 2.138 9.549 623 2HB GLU 78 1HB GLU 78 1.636 1.430 8.924 624 1HG GLU 78 2HG GLU 78 1.850 3.365 7.359 625 2HG GLU 78 1HG GLU 78 0.422 4.085 8.100 626 H ASP 79 HN ASP 79 1.783 -0.409 7.292 627 HA ASP 79 HA ASP 79 2.317 0.196 4.419 628 1HB ASP 79 2HB ASP 79 3.936 0.899 6.699 629 2HB ASP 79 1HB ASP 79 4.807 -0.266 5.701 630 HA PRO 80 HA PRO 80 2.507 -4.173 3.976 631 1HB PRO 80 2HB PRO 80 4.705 -4.048 2.127 632 2HB PRO 80 1HB PRO 80 2.987 -4.228 1.764 633 1HG PRO 80 2HG PRO 80 4.647 -1.928 1.328 634 2HG PRO 80 1HG PRO 80 2.928 -2.107 0.974 635 1HD PRO 80 2HD PRO 80 4.157 -0.543 3.070 636 2HD PRO 80 1HD PRO 80 2.425 -0.708 2.701 637 H GLY 81 HN GLY 81 5.906 -3.089 3.562 638 1HA GLY 81 1HA GLY 81 6.664 -4.383 6.091 639 2HA GLY 81 2HA GLY 81 7.748 -3.511 5.005 640 H THR 82 HN THR 82 7.755 -6.349 6.228 641 HA THR 82 HA THR 82 8.828 -7.672 3.842 642 HB THR 82 HB THR 82 9.481 -9.363 5.483 643 HG1 THR 82 1HG THR 82 7.473 -8.085 6.946 644 1HG2 THR 82 2HG2 THR 82 10.557 -7.003 5.416 645 2HG2 THR 82 1HG2 THR 82 9.704 -6.735 6.936 646 3HG2 THR 82 3HG2 THR 82 10.895 -8.028 6.811 647 H CYS 83 HN CYS 83 5.839 -7.651 5.620 648 HA CYS 83 HA CYS 83 4.790 -10.220 5.050 649 1HB CYS 83 2HB CYS 83 3.886 -8.291 6.486 650 2HB CYS 83 1HB CYS 83 3.228 -7.630 4.989 651 H GLU 84 HN GLU 84 4.468 -7.218 3.117 652 HA GLU 84 HA GLU 84 3.030 -8.386 0.946 653 1HB GLU 84 2HB GLU 84 3.269 -5.971 1.478 654 2HB GLU 84 1HB GLU 84 4.964 -6.050 0.998 655 1HG GLU 84 2HG GLU 84 4.202 -6.865 -1.264 656 2HG GLU 84 1HG GLU 84 2.543 -6.546 -0.759 657 H ILE 85 HN ILE 85 6.496 -8.360 1.682 658 HA ILE 85 HA ILE 85 7.078 -9.459 -1.030 659 HB ILE 85 HB ILE 85 9.340 -8.816 -0.540 660 1HG1 ILE 85 2HG1 ILE 85 8.359 -8.606 2.317 661 2HG1 ILE 85 1HG1 ILE 85 9.591 -9.698 1.687 662 1HG2 ILE 85 3HG2 ILE 85 7.379 -6.818 0.625 663 2HG2 ILE 85 2HG2 ILE 85 9.050 -6.437 0.213 664 3HG2 ILE 85 1HG2 ILE 85 7.918 -6.915 -1.052 665 1HD1 ILE 85 1HD1 ILE 85 10.654 -7.336 0.919 666 2HD1 ILE 85 3HD1 ILE 85 9.781 -6.807 2.357 667 3HD1 ILE 85 2HD1 ILE 85 11.003 -8.074 2.482 668 H CYS 86 HN CYS 86 5.963 -10.792 1.657 669 HA CYS 86 HA CYS 86 6.136 -12.944 2.620 670 1HB CYS 86 2HB CYS 86 6.273 -13.199 -0.025 671 2HB CYS 86 1HB CYS 86 7.919 -13.717 0.339 672 H ALA 87 HN ALA 87 8.519 -10.815 2.683 673 HA ALA 87 HA ALA 87 10.937 -12.303 3.087 674 1HB ALA 87 3HB ALA 87 11.226 -10.082 4.618 675 2HB ALA 87 1HB ALA 87 9.832 -9.602 3.650 676 3HB ALA 87 2HB ALA 87 11.342 -10.053 2.858 677 H TYR 88 HN TYR 88 8.118 -11.822 5.064 678 HA TYR 88 HA TYR 88 9.457 -13.324 7.285 679 1HB TYR 88 2HB TYR 88 8.991 -10.673 7.383 680 2HB TYR 88 1HB TYR 88 7.405 -11.245 7.901 681 HD1 TYR 88 HD1 TYR 88 7.153 -12.585 9.954 682 HD2 TYR 88 HD2 TYR 88 10.970 -11.027 8.748 683 HE1 TYR 88 HE1 TYR 88 8.055 -13.039 12.220 684 HE2 TYR 88 HE2 TYR 88 11.872 -11.481 11.014 685 HH TYR 88 HH TYR 88 11.329 -12.030 13.131 686 H ALA 89 HN ALA 89 7.719 -14.264 8.795 687 HA ALA 89 HA ALA 89 5.749 -15.715 7.224 688 1HB ALA 89 1HB ALA 89 7.071 -16.469 9.274 689 2HB ALA 89 3HB ALA 89 5.983 -15.468 10.235 690 3HB ALA 89 2HB ALA 89 5.345 -16.831 9.316 691 H ALA 90 HN ALA 90 5.728 -12.584 8.298 692 HA ALA 90 HA ALA 90 3.222 -12.200 9.569 693 1HB ALA 90 2HB ALA 90 4.480 -10.359 7.528 694 2HB ALA 90 1HB ALA 90 3.572 -9.916 8.973 695 3HB ALA 90 3HB ALA 90 5.188 -10.606 9.124 696 H CYS 91 HN CYS 91 4.024 -12.397 6.094 697 HA CYS 91 HA CYS 91 1.115 -12.188 5.447 698 1HB CYS 91 2HB CYS 91 3.654 -11.406 4.248 699 2HB CYS 91 1HB CYS 91 2.617 -12.250 3.101 700 H THR 92 HN THR 92 0.064 -14.092 5.078 701 HA THR 92 HA THR 92 1.661 -16.518 4.396 702 HB THR 92 HB THR 92 -0.250 -17.703 5.273 703 HG1 THR 92 1HG THR 92 -1.487 -15.214 4.868 704 1HG2 THR 92 3HG2 THR 92 1.262 -16.433 6.880 705 2HG2 THR 92 2HG2 THR 92 -0.002 -15.206 6.958 706 3HG2 THR 92 1HG2 THR 92 -0.335 -16.849 7.505 707 H GLY 93 HN GLY 93 0.484 -18.049 2.827 708 1HA GLY 93 1HA GLY 93 -1.241 -16.709 0.844 709 2HA GLY 93 2HA GLY 93 -0.811 -18.421 0.853 710 H CYS 94 HN CYS 94 2.040 -16.940 1.380 711 HA CYS 94 HA CYS 94 2.709 -15.894 -1.242 712 1HB CYS 94 2HB CYS 94 3.790 -15.352 0.968 713 2HB CYS 94 1HB CYS 94 4.493 -16.969 0.964 No H/Q in entry = 713 Start of MODEL 15 1 H1 VAL 1 1H VAL 1 -2.895 -12.098 -0.487 2 H2 VAL 1 3H VAL 1 -1.994 -10.831 -1.163 3 H3 VAL 1 2H VAL 1 -1.531 -12.443 -1.439 4 HA VAL 1 HA VAL 1 -0.661 -12.721 0.665 5 HB VAL 1 HB VAL 1 -0.377 -9.760 0.059 6 1HG1 VAL 1 1HG1 VAL 1 0.761 -11.442 2.039 7 2HG1 VAL 1 3HG1 VAL 1 2.025 -11.143 0.845 8 3HG1 VAL 1 2HG1 VAL 1 1.226 -9.787 1.640 9 1HG2 VAL 1 3HG2 VAL 1 0.391 -12.151 -1.454 10 2HG2 VAL 1 2HG2 VAL 1 0.359 -10.463 -1.964 11 3HG2 VAL 1 1HG2 VAL 1 1.758 -11.096 -1.098 12 H THR 2 HN THR 2 -1.596 -12.959 2.660 13 HA THR 2 HA THR 2 -3.127 -10.633 3.782 14 HB THR 2 HB THR 2 -3.656 -13.611 4.053 15 HG1 THR 2 1HG THR 2 -4.684 -13.326 2.265 16 1HG2 THR 2 2HG2 THR 2 -4.909 -11.148 5.233 17 2HG2 THR 2 1HG2 THR 2 -5.907 -12.567 4.916 18 3HG2 THR 2 3HG2 THR 2 -4.529 -12.684 6.011 19 H VAL 3 HN VAL 3 -2.953 -10.377 6.085 20 HA VAL 3 HA VAL 3 -0.432 -11.451 7.211 21 HB VAL 3 HB VAL 3 -1.771 -9.016 7.261 22 1HG1 VAL 3 1HG1 VAL 3 -2.064 -10.402 9.942 23 2HG1 VAL 3 3HG1 VAL 3 -2.233 -8.664 9.701 24 3HG1 VAL 3 2HG1 VAL 3 -3.365 -9.775 8.933 25 1HG2 VAL 3 2HG2 VAL 3 0.492 -10.226 8.826 26 2HG2 VAL 3 1HG2 VAL 3 0.547 -9.005 7.554 27 3HG2 VAL 3 3HG2 VAL 3 -0.024 -8.575 9.167 28 H GLN 4 HN GLN 4 -0.541 -13.338 8.350 29 HA GLN 4 HA GLN 4 -3.109 -14.027 9.730 30 1HB GLN 4 2HB GLN 4 -0.803 -15.855 9.035 31 2HB GLN 4 1HB GLN 4 -2.480 -16.298 9.350 32 1HG GLN 4 2HG GLN 4 -3.065 -14.856 7.298 33 2HG GLN 4 1HG GLN 4 -1.343 -14.892 6.929 34 1HE2 GLN 4 1HE2 GLN 4 -3.638 -16.206 5.455 35 2HE2 GLN 4 2HE2 GLN 4 -3.243 -17.856 5.404 36 H ASP 5 HN ASP 5 -3.075 -14.429 11.947 37 HA ASP 5 HA ASP 5 -0.464 -14.002 13.347 38 1HB ASP 5 2HB ASP 5 -3.370 -13.652 14.153 39 2HB ASP 5 1HB ASP 5 -2.013 -13.413 15.253 40 H GLY 6 HN GLY 6 -2.155 -16.515 12.247 41 1HA GLY 6 1HA GLY 6 -2.702 -18.164 14.518 42 2HA GLY 6 2HA GLY 6 -1.043 -18.455 13.989 43 H ASN 7 HN ASN 7 -3.778 -19.975 13.776 44 HA ASN 7 HA ASN 7 -3.202 -21.153 11.155 45 1HB ASN 7 2HB ASN 7 -5.367 -21.589 13.235 46 2HB ASN 7 1HB ASN 7 -5.103 -22.632 11.841 47 1HD2 ASN 7 1HD2 ASN 7 -2.256 -22.657 11.827 48 2HD2 ASN 7 2HD2 ASN 7 -1.708 -23.445 13.226 49 H PHE 8 HN PHE 8 -4.684 -18.358 11.965 50 HA PHE 8 HA PHE 8 -6.764 -18.585 9.816 51 1HB PHE 8 2HB PHE 8 -7.686 -18.277 12.051 52 2HB PHE 8 1HB PHE 8 -6.594 -16.926 12.352 53 HD1 PHE 8 HD1 PHE 8 -6.849 -14.803 11.081 54 HD2 PHE 8 HD2 PHE 8 -9.696 -18.003 10.768 55 HE1 PHE 8 HE1 PHE 8 -8.503 -13.240 10.085 56 HE2 PHE 8 HE2 PHE 8 -11.347 -16.442 9.774 57 HZ PHE 8 HZ PHE 8 -10.750 -14.059 9.433 58 H SER 9 HN SER 9 -7.055 -16.531 8.551 59 HA SER 9 HA SER 9 -4.485 -14.990 8.379 60 1HB SER 9 2HB SER 9 -4.952 -14.851 6.006 61 2HB SER 9 1HB SER 9 -5.160 -16.532 6.499 62 HG SER 9 HG SER 9 -7.251 -14.627 6.310 63 H PHE 10 HN PHE 10 -4.609 -12.790 8.644 64 HA PHE 10 HA PHE 10 -7.337 -11.558 8.824 65 1HB PHE 10 2HB PHE 10 -4.659 -10.922 10.099 66 2HB PHE 10 1HB PHE 10 -6.086 -9.902 10.276 67 HD1 PHE 10 HD1 PHE 10 -8.271 -11.137 11.060 68 HD2 PHE 10 HD2 PHE 10 -4.296 -12.647 11.641 69 HE1 PHE 10 HE1 PHE 10 -9.092 -12.578 12.905 70 HE2 PHE 10 HE2 PHE 10 -5.113 -14.091 13.484 71 HZ PHE 10 HZ PHE 10 -7.512 -14.056 14.117 72 H SER 11 HN SER 11 -7.811 -10.188 7.132 73 HA SER 11 HA SER 11 -5.842 -9.353 5.188 74 1HB SER 11 2HB SER 11 -7.734 -8.258 4.187 75 2HB SER 11 1HB SER 11 -8.358 -9.729 4.932 76 HG SER 11 HG SER 11 -9.678 -8.097 5.584 77 H LEU 12 HN LEU 12 -5.498 -6.942 4.698 78 HA LEU 12 HA LEU 12 -4.933 -5.513 7.257 79 1HB LEU 12 2HB LEU 12 -3.933 -5.084 4.424 80 2HB LEU 12 1HB LEU 12 -3.310 -4.291 5.871 81 HG LEU 12 HG LEU 12 -3.352 -7.300 5.534 82 1HD1 LEU 12 2HD1 LEU 12 -1.350 -5.238 4.665 83 2HD1 LEU 12 1HD1 LEU 12 -0.777 -6.803 5.243 84 3HD1 LEU 12 3HD1 LEU 12 -1.852 -6.718 3.847 85 1HD2 LEU 12 1HD2 LEU 12 -1.907 -5.404 7.410 86 2HD2 LEU 12 3HD2 LEU 12 -3.198 -6.526 7.841 87 3HD2 LEU 12 2HD2 LEU 12 -1.624 -7.143 7.339 88 H GLU 13 HN GLU 13 -7.349 -5.557 4.985 89 HA GLU 13 HA GLU 13 -7.686 -2.722 4.451 90 1HB GLU 13 2HB GLU 13 -9.572 -5.098 4.347 91 2HB GLU 13 1HB GLU 13 -9.914 -3.515 3.649 92 1HG GLU 13 2HG GLU 13 -7.906 -3.726 2.214 93 2HG GLU 13 1HG GLU 13 -7.598 -5.324 2.894 94 H SER 14 HN SER 14 -10.041 -4.778 6.154 95 HA SER 14 HA SER 14 -11.431 -2.870 7.573 96 1HB SER 14 2HB SER 14 -10.476 -5.471 8.788 97 2HB SER 14 1HB SER 14 -12.017 -4.658 9.057 98 HG SER 14 HG SER 14 -12.746 -5.355 7.184 99 H VAL 15 HN VAL 15 -8.441 -4.468 8.765 100 HA VAL 15 HA VAL 15 -8.254 -3.039 11.201 101 HB VAL 15 HB VAL 15 -5.763 -3.599 10.885 102 1HG1 VAL 15 3HG1 VAL 15 -7.881 -5.052 11.721 103 2HG1 VAL 15 2HG1 VAL 15 -7.361 -6.053 10.361 104 3HG1 VAL 15 1HG1 VAL 15 -6.240 -5.700 11.676 105 1HG2 VAL 15 2HG2 VAL 15 -5.912 -3.540 8.361 106 2HG2 VAL 15 1HG2 VAL 15 -5.176 -5.001 9.013 107 3HG2 VAL 15 3HG2 VAL 15 -6.843 -5.034 8.443 108 H LYS 16 HN LYS 16 -6.930 -2.207 7.966 109 HA LYS 16 HA LYS 16 -5.589 0.185 8.708 110 1HB LYS 16 2HB LYS 16 -5.444 -0.889 6.494 111 2HB LYS 16 1HB LYS 16 -7.149 -0.540 6.199 112 1HG LYS 16 2HG LYS 16 -6.594 1.916 6.504 113 2HG LYS 16 1HG LYS 16 -4.891 1.458 6.515 114 1HD LYS 16 2HD LYS 16 -5.114 0.481 4.278 115 2HD LYS 16 1HD LYS 16 -6.838 0.852 4.268 116 1HE LYS 16 2HE LYS 16 -5.965 3.319 4.768 117 2HE LYS 16 1HE LYS 16 -4.500 2.706 3.979 118 1HZ LYS 16 1HZ LYS 16 -6.002 1.800 2.216 119 2HZ LYS 16 3HZ LYS 16 -7.278 2.667 2.920 120 3HZ LYS 16 2HZ LYS 16 -5.944 3.497 2.272 121 H LYS 17 HN LYS 17 -8.915 -0.192 7.414 122 HA LYS 17 HA LYS 17 -9.667 2.528 8.199 123 1HB LYS 17 2HB LYS 17 -11.174 0.120 7.125 124 2HB LYS 17 1HB LYS 17 -11.878 1.727 7.305 125 1HG LYS 17 2HG LYS 17 -10.110 2.635 5.804 126 2HG LYS 17 1HG LYS 17 -9.492 1.000 5.577 127 1HD LYS 17 2HD LYS 17 -11.705 0.308 4.684 128 2HD LYS 17 1HD LYS 17 -12.277 1.967 4.861 129 1HE LYS 17 2HE LYS 17 -9.758 1.949 3.431 130 2HE LYS 17 1HE LYS 17 -10.928 0.883 2.630 131 1HZ LYS 17 2HZ LYS 17 -12.558 2.816 3.190 132 2HZ LYS 17 1HZ LYS 17 -11.143 3.755 3.248 133 3HZ LYS 17 3HZ LYS 17 -11.556 2.934 1.822 134 H LEU 18 HN LEU 18 -8.977 0.082 10.147 135 HA LEU 18 HA LEU 18 -11.322 -0.478 11.678 136 1HB LEU 18 2HB LEU 18 -8.977 -1.552 11.585 137 2HB LEU 18 1HB LEU 18 -8.479 -0.273 12.691 138 HG LEU 18 HG LEU 18 -10.831 -2.098 13.244 139 1HD1 LEU 18 3HD1 LEU 18 -7.900 -2.384 13.963 140 2HD1 LEU 18 2HD1 LEU 18 -9.182 -3.220 14.838 141 3HD1 LEU 18 1HD1 LEU 18 -8.924 -3.552 13.126 142 1HD2 LEU 18 3HD2 LEU 18 -9.181 -0.156 14.878 143 2HD2 LEU 18 2HD2 LEU 18 -10.915 -0.098 14.562 144 3HD2 LEU 18 1HD2 LEU 18 -10.252 -1.349 15.614 145 H LYS 19 HN LYS 19 -8.831 2.069 11.960 146 HA LYS 19 HA LYS 19 -9.684 3.264 14.385 147 1HB LYS 19 2HB LYS 19 -7.614 3.742 13.046 148 2HB LYS 19 1HB LYS 19 -8.616 4.599 11.874 149 1HG LYS 19 2HG LYS 19 -9.375 6.130 13.684 150 2HG LYS 19 1HG LYS 19 -8.301 5.300 14.811 151 1HD LYS 19 2HD LYS 19 -6.389 5.855 13.243 152 2HD LYS 19 1HD LYS 19 -7.513 6.871 12.341 153 1HE LYS 19 2HE LYS 19 -6.192 8.165 14.045 154 2HE LYS 19 1HE LYS 19 -7.936 8.223 14.361 155 1HZ LYS 19 2HZ LYS 19 -6.569 5.918 15.455 156 2HZ LYS 19 1HZ LYS 19 -6.102 7.396 16.151 157 3HZ LYS 19 3HZ LYS 19 -7.732 6.927 16.173 158 H ASP 20 HN ASP 20 -10.769 3.829 11.035 159 HA ASP 20 HA ASP 20 -12.890 5.680 11.979 160 1HB ASP 20 2HB ASP 20 -11.486 6.162 9.978 161 2HB ASP 20 1HB ASP 20 -12.097 4.694 9.215 162 H LEU 21 HN LEU 21 -14.777 4.714 12.654 163 HA LEU 21 HA LEU 21 -15.452 1.972 11.933 164 1HB LEU 21 2HB LEU 21 -15.905 3.362 14.086 165 2HB LEU 21 1HB LEU 21 -17.284 4.008 13.194 166 HG LEU 21 HG LEU 21 -17.939 2.038 14.535 167 1HD1 LEU 21 2HD1 LEU 21 -18.747 2.580 12.070 168 2HD1 LEU 21 1HD1 LEU 21 -17.926 1.065 11.699 169 3HD1 LEU 21 3HD1 LEU 21 -19.249 1.089 12.866 170 1HD2 LEU 21 3HD2 LEU 21 -15.434 1.080 13.810 171 2HD2 LEU 21 2HD2 LEU 21 -16.695 0.147 14.613 172 3HD2 LEU 21 1HD2 LEU 21 -16.537 0.088 12.858 173 H GLN 22 HN GLN 22 -16.440 1.411 10.052 174 HA GLN 22 HA GLN 22 -18.639 3.067 8.974 175 1HB GLN 22 2HB GLN 22 -17.469 3.124 6.730 176 2HB GLN 22 1HB GLN 22 -16.680 4.091 7.976 177 1HG GLN 22 2HG GLN 22 -15.137 2.188 8.430 178 2HG GLN 22 1HG GLN 22 -15.894 1.289 7.114 179 1HE2 GLN 22 1HE2 GLN 22 -13.183 3.039 7.709 180 2HE2 GLN 22 2HE2 GLN 22 -12.921 3.725 6.179 181 H GLU 23 HN GLU 23 -19.582 1.873 6.967 182 HA GLU 23 HA GLU 23 -19.155 -1.085 7.234 183 1HB GLU 23 2HB GLU 23 -21.325 0.407 8.118 184 2HB GLU 23 1HB GLU 23 -21.873 -0.217 6.561 185 1HG GLU 23 2HG GLU 23 -20.480 -2.081 8.453 186 2HG GLU 23 1HG GLU 23 -22.165 -1.663 8.762 187 HA PRO 24 HA PRO 24 -19.082 0.681 2.795 188 1HB PRO 24 2HB PRO 24 -16.509 -0.572 2.516 189 2HB PRO 24 1HB PRO 24 -16.890 1.151 2.464 190 1HG PRO 24 2HG PRO 24 -15.547 -0.309 4.552 191 2HG PRO 24 1HG PRO 24 -15.892 1.421 4.481 192 1HD PRO 24 2HD PRO 24 -17.132 -0.549 6.175 193 2HD PRO 24 1HD PRO 24 -17.519 1.183 6.059 194 H GLN 25 HN GLN 25 -19.629 -0.707 1.058 195 HA GLN 25 HA GLN 25 -20.439 -3.388 1.616 196 1HB GLN 25 2HB GLN 25 -19.829 -1.925 -0.971 197 2HB GLN 25 1HB GLN 25 -20.704 -3.454 -0.877 198 1HG GLN 25 2HG GLN 25 -22.389 -2.358 0.597 199 2HG GLN 25 1HG GLN 25 -21.540 -0.827 0.388 200 1HE2 GLN 25 1HE2 GLN 25 -21.996 0.371 -1.506 201 2HE2 GLN 25 2HE2 GLN 25 -22.974 -0.194 -2.773 202 H GLU 26 HN GLU 26 -17.417 -2.040 0.436 203 HA GLU 26 HA GLU 26 -15.398 -3.093 -0.234 204 1HB GLU 26 2HB GLU 26 -16.237 -3.724 2.338 205 2HB GLU 26 1HB GLU 26 -15.823 -5.296 1.653 206 1HG GLU 26 2HG GLU 26 -14.052 -2.848 1.860 207 2HG GLU 26 1HG GLU 26 -13.808 -4.419 2.623 208 HA PRO 27 HA PRO 27 -17.947 -6.504 -2.408 209 1HB PRO 27 2HB PRO 27 -17.463 -5.108 -4.873 210 2HB PRO 27 1HB PRO 27 -19.012 -5.403 -4.080 211 1HG PRO 27 2HG PRO 27 -17.587 -2.918 -4.307 212 2HG PRO 27 1HG PRO 27 -19.139 -3.211 -3.520 213 1HD PRO 27 2HD PRO 27 -16.600 -2.647 -2.269 214 2HD PRO 27 1HD PRO 27 -18.165 -2.950 -1.480 215 H ARG 28 HN ARG 28 -15.007 -4.685 -3.102 216 HA ARG 28 HA ARG 28 -13.687 -7.236 -3.952 217 1HB ARG 28 2HB ARG 28 -14.319 -5.790 -5.883 218 2HB ARG 28 1HB ARG 28 -13.375 -4.477 -5.182 219 1HG ARG 28 2HG ARG 28 -11.351 -5.937 -5.269 220 2HG ARG 28 1HG ARG 28 -12.315 -7.175 -6.076 221 1HD ARG 28 2HD ARG 28 -12.838 -5.505 -7.887 222 2HD ARG 28 1HD ARG 28 -11.708 -4.381 -7.110 223 HE ARG 28 HE ARG 28 -10.197 -6.654 -7.306 224 1HH1 ARG 28 1HH1 ARG 28 -10.445 -4.125 -9.241 225 2HH1 ARG 28 2HH1 ARG 28 -10.313 -4.949 -10.759 226 1HH2 ARG 28 1HH2 ARG 28 -10.788 -8.100 -9.393 227 2HH2 ARG 28 2HH2 ARG 28 -10.508 -7.199 -10.845 228 H VAL 29 HN VAL 29 -11.497 -7.407 -3.277 229 HA VAL 29 HA VAL 29 -10.699 -6.116 -0.885 230 HB VAL 29 HB VAL 29 -8.575 -7.210 -1.328 231 1HG1 VAL 29 1HG1 VAL 29 -11.090 -8.483 -1.525 232 2HG1 VAL 29 3HG1 VAL 29 -10.071 -9.229 -2.755 233 3HG1 VAL 29 2HG1 VAL 29 -9.555 -9.221 -1.068 234 1HG2 VAL 29 1HG2 VAL 29 -9.497 -6.928 -4.164 235 2HG2 VAL 29 3HG2 VAL 29 -7.900 -6.643 -3.473 236 3HG2 VAL 29 2HG2 VAL 29 -8.461 -8.293 -3.750 237 H GLY 30 HN GLY 30 -9.751 -4.138 -0.511 238 1HA GLY 30 1HA GLY 30 -8.842 -2.019 -0.950 239 2HA GLY 30 2HA GLY 30 -9.543 -2.163 -2.561 240 H LYS 31 HN LYS 31 -8.058 -2.134 -4.173 241 HA LYS 31 HA LYS 31 -5.736 -3.779 -4.300 242 1HB LYS 31 2HB LYS 31 -6.492 -1.180 -5.675 243 2HB LYS 31 1HB LYS 31 -5.178 -2.231 -6.202 244 1HG LYS 31 2HG LYS 31 -6.823 -4.099 -6.434 245 2HG LYS 31 1HG LYS 31 -8.114 -2.971 -6.023 246 1HD LYS 31 2HD LYS 31 -7.414 -1.548 -7.965 247 2HD LYS 31 1HD LYS 31 -6.250 -2.798 -8.409 248 1HE LYS 31 2HE LYS 31 -9.075 -3.675 -7.969 249 2HE LYS 31 1HE LYS 31 -8.721 -2.770 -9.453 250 1HZ LYS 31 3HZ LYS 31 -6.696 -4.297 -9.612 251 2HZ LYS 31 2HZ LYS 31 -7.494 -5.285 -8.482 252 3HZ LYS 31 1HZ LYS 31 -8.204 -4.972 -9.993 253 H LEU 32 HN LEU 32 -6.214 -0.499 -3.061 254 HA LEU 32 HA LEU 32 -3.294 -0.236 -2.520 255 1HB LEU 32 2HB LEU 32 -4.570 1.574 -3.655 256 2HB LEU 32 1HB LEU 32 -5.610 1.707 -2.237 257 HG LEU 32 HG LEU 32 -3.497 2.128 -0.879 258 1HD1 LEU 32 2HD1 LEU 32 -2.369 2.380 -3.683 259 2HD1 LEU 32 1HD1 LEU 32 -1.557 2.975 -2.234 260 3HD1 LEU 32 3HD1 LEU 32 -1.852 1.247 -2.433 261 1HD2 LEU 32 2HD2 LEU 32 -5.035 3.858 -2.540 262 2HD2 LEU 32 1HD2 LEU 32 -4.171 4.267 -1.058 263 3HD2 LEU 32 3HD2 LEU 32 -3.359 4.404 -2.619 264 H ARG 33 HN ARG 33 -2.520 -0.471 -0.445 265 HA ARG 33 HA ARG 33 -4.464 -0.341 1.826 266 1HB ARG 33 2HB ARG 33 -3.423 -2.423 2.696 267 2HB ARG 33 1HB ARG 33 -4.144 -2.684 1.108 268 1HG ARG 33 2HG ARG 33 -1.808 -2.138 0.158 269 2HG ARG 33 1HG ARG 33 -1.222 -2.366 1.806 270 1HD ARG 33 2HD ARG 33 -2.102 -4.653 1.843 271 2HD ARG 33 1HD ARG 33 -2.809 -4.429 0.231 272 HE ARG 33 HE ARG 33 -0.518 -4.209 -0.661 273 1HH1 ARG 33 1HH1 ARG 33 -0.916 -6.601 1.474 274 2HH1 ARG 33 2HH1 ARG 33 0.700 -6.639 2.094 275 1HH2 ARG 33 1HH2 ARG 33 1.616 -3.631 0.632 276 2HH2 ARG 33 2HH2 ARG 33 2.135 -4.958 1.616 277 H ASN 34 HN ASN 34 -3.661 1.212 3.193 278 HA ASN 34 HA ASN 34 -0.981 1.076 4.262 279 1HB ASN 34 2HB ASN 34 -0.103 3.102 3.164 280 2HB ASN 34 1HB ASN 34 -0.534 1.888 1.960 281 1HD2 ASN 34 1HD2 ASN 34 -0.437 4.742 1.396 282 2HD2 ASN 34 2HD2 ASN 34 -2.014 5.239 1.013 283 H PHE 35 HN PHE 35 -1.236 4.252 4.187 284 HA PHE 35 HA PHE 35 -2.140 5.901 5.617 285 1HB PHE 35 2HB PHE 35 -4.231 4.998 4.559 286 2HB PHE 35 1HB PHE 35 -4.365 3.855 5.894 287 HD1 PHE 35 HD1 PHE 35 -4.543 7.410 4.925 288 HD2 PHE 35 HD2 PHE 35 -4.963 4.586 8.135 289 HE1 PHE 35 HE1 PHE 35 -5.652 9.145 6.306 290 HE2 PHE 35 HE2 PHE 35 -6.074 6.321 9.516 291 HZ PHE 35 HZ PHE 35 -6.418 8.601 8.602 292 H ALA 36 HN ALA 36 -0.457 5.552 7.211 293 HA ALA 36 HA ALA 36 -0.271 3.555 9.159 294 1HB ALA 36 1HB ALA 36 0.171 6.492 9.711 295 2HB ALA 36 2HB ALA 36 1.207 5.599 8.597 296 3HB ALA 36 3HB ALA 36 1.114 5.119 10.291 297 HA PRO 37 HA PRO 37 -4.302 4.342 11.087 298 1HB PRO 37 2HB PRO 37 -3.772 2.027 12.710 299 2HB PRO 37 1HB PRO 37 -4.892 2.171 11.354 300 1HG PRO 37 2HG PRO 37 -2.425 0.730 11.432 301 2HG PRO 37 1HG PRO 37 -3.509 0.933 10.053 302 1HD PRO 37 2HD PRO 37 -0.908 2.155 10.495 303 2HD PRO 37 1HD PRO 37 -1.949 2.264 9.057 304 H ILE 38 HN ILE 38 -1.136 4.486 12.263 305 HA ILE 38 HA ILE 38 -0.220 5.473 14.205 306 HB ILE 38 HB ILE 38 -3.105 6.289 14.676 307 1HG1 ILE 38 2HG1 ILE 38 -1.456 8.284 13.389 308 2HG1 ILE 38 1HG1 ILE 38 -1.495 6.813 12.417 309 1HG2 ILE 38 1HG2 ILE 38 -0.417 7.210 15.650 310 2HG2 ILE 38 3HG2 ILE 38 -1.735 8.374 15.516 311 3HG2 ILE 38 2HG2 ILE 38 -1.907 6.964 16.561 312 1HD1 ILE 38 1HD1 ILE 38 -4.052 6.851 12.827 313 2HD1 ILE 38 3HD1 ILE 38 -3.809 8.524 13.328 314 3HD1 ILE 38 2HD1 ILE 38 -3.392 8.025 11.689 315 HA PRO 39 HA PRO 39 -1.919 1.730 16.471 316 1HB PRO 39 2HB PRO 39 0.837 1.015 16.882 317 2HB PRO 39 1HB PRO 39 -0.369 0.177 15.904 318 1HG PRO 39 2HG PRO 39 1.879 1.721 14.998 319 2HG PRO 39 1HG PRO 39 0.675 0.879 14.019 320 1HD PRO 39 2HD PRO 39 0.977 3.725 14.391 321 2HD PRO 39 1HD PRO 39 -0.240 2.876 13.410 322 H GLY 40 HN GLY 40 -1.754 1.418 18.786 323 1HA GLY 40 1HA GLY 40 -0.315 3.629 20.197 324 2HA GLY 40 2HA GLY 40 -0.363 1.990 20.845 325 H GLU 41 HN GLU 41 -3.188 1.638 19.932 326 HA GLU 41 HA GLU 41 -4.507 3.354 22.013 327 1HB GLU 41 2HB GLU 41 -5.210 2.603 19.198 328 2HB GLU 41 1HB GLU 41 -6.524 2.848 20.347 329 1HG GLU 41 2HG GLU 41 -5.709 5.089 20.862 330 2HG GLU 41 1HG GLU 41 -4.301 4.847 19.827 331 HA PRO 42 HA PRO 42 -4.857 -1.226 22.973 332 1HB PRO 42 2HB PRO 42 -4.545 -0.439 25.723 333 2HB PRO 42 1HB PRO 42 -3.430 -1.377 24.726 334 1HG PRO 42 2HG PRO 42 -3.135 1.335 25.633 335 2HG PRO 42 1HG PRO 42 -2.018 0.395 24.640 336 1HD PRO 42 2HD PRO 42 -3.690 2.599 23.817 337 2HD PRO 42 1HD PRO 42 -2.571 1.644 22.815 338 H VAL 43 HN VAL 43 -7.136 -0.969 22.406 339 HA VAL 43 HA VAL 43 -8.863 -0.337 24.771 340 HB VAL 43 HB VAL 43 -8.769 1.564 23.181 341 1HG1 VAL 43 2HG1 VAL 43 -8.578 -0.416 21.261 342 2HG1 VAL 43 1HG1 VAL 43 -10.231 0.163 21.054 343 3HG1 VAL 43 3HG1 VAL 43 -8.880 1.290 20.933 344 1HG2 VAL 43 3HG2 VAL 43 -11.027 0.362 24.234 345 2HG2 VAL 43 2HG2 VAL 43 -10.980 1.960 23.488 346 3HG2 VAL 43 1HG2 VAL 43 -11.448 0.554 22.532 347 H VAL 44 HN VAL 44 -10.280 -2.001 25.160 348 HA VAL 44 HA VAL 44 -11.385 -3.591 22.937 349 HB VAL 44 HB VAL 44 -9.336 -4.572 24.922 350 1HG1 VAL 44 2HG1 VAL 44 -11.633 -6.052 23.717 351 2HG1 VAL 44 1HG1 VAL 44 -10.072 -6.873 23.770 352 3HG1 VAL 44 3HG1 VAL 44 -10.821 -6.305 25.263 353 1HG2 VAL 44 1HG2 VAL 44 -9.638 -4.330 21.977 354 2HG2 VAL 44 3HG2 VAL 44 -8.186 -4.217 22.972 355 3HG2 VAL 44 2HG2 VAL 44 -8.847 -5.798 22.552 356 HA PRO 45 HA PRO 45 -14.036 -2.951 26.744 357 1HB PRO 45 2HB PRO 45 -16.165 -2.372 24.897 358 2HB PRO 45 1HB PRO 45 -15.379 -1.269 26.028 359 1HG PRO 45 2HG PRO 45 -15.145 -1.309 23.174 360 2HG PRO 45 1HG PRO 45 -14.323 -0.237 24.309 361 1HD PRO 45 2HD PRO 45 -13.197 -2.429 22.782 362 2HD PRO 45 1HD PRO 45 -12.355 -1.302 23.871 363 H ILE 46 HN ILE 46 -15.583 -4.515 27.451 364 HA ILE 46 HA ILE 46 -15.566 -7.104 26.393 365 HB ILE 46 HB ILE 46 -16.452 -6.167 28.614 366 1HG1 ILE 46 2HG1 ILE 46 -18.397 -8.096 27.362 367 2HG1 ILE 46 1HG1 ILE 46 -16.716 -8.566 27.617 368 1HG2 ILE 46 2HG2 ILE 46 -18.064 -4.625 27.251 369 2HG2 ILE 46 1HG2 ILE 46 -19.097 -6.053 27.184 370 3HG2 ILE 46 3HG2 ILE 46 -18.650 -5.360 28.743 371 1HD1 ILE 46 2HD1 ILE 46 -17.665 -7.282 29.996 372 2HD1 ILE 46 1HD1 ILE 46 -18.833 -8.518 29.529 373 3HD1 ILE 46 3HD1 ILE 46 -17.145 -8.955 29.792 374 H LEU 47 HN LEU 47 -17.453 -4.331 25.360 375 HA LEU 47 HA LEU 47 -19.144 -6.011 23.580 376 1HB LEU 47 2HB LEU 47 -19.075 -3.025 24.142 377 2HB LEU 47 1HB LEU 47 -20.334 -3.875 23.245 378 HG LEU 47 HG LEU 47 -19.607 -4.639 26.074 379 1HD1 LEU 47 2HD1 LEU 47 -21.263 -2.374 25.061 380 2HD1 LEU 47 1HD1 LEU 47 -21.899 -3.293 26.424 381 3HD1 LEU 47 3HD1 LEU 47 -20.328 -2.503 26.551 382 1HD2 LEU 47 2HD2 LEU 47 -21.594 -5.423 24.048 383 2HD2 LEU 47 1HD2 LEU 47 -21.003 -6.318 25.448 384 3HD2 LEU 47 3HD2 LEU 47 -22.281 -5.118 25.642 385 H CYS 48 HN CYS 48 -16.090 -4.968 23.390 386 HA CYS 48 HA CYS 48 -14.653 -4.686 21.537 387 1HB CYS 48 2HB CYS 48 -17.071 -5.843 20.564 388 2HB CYS 48 1HB CYS 48 -16.585 -4.594 19.417 389 H SER 49 HN SER 49 -13.800 -2.726 21.005 390 HA SER 49 HA SER 49 -15.077 -0.247 21.433 391 1HB SER 49 2HB SER 49 -13.130 0.650 20.261 392 2HB SER 49 1HB SER 49 -12.629 -0.729 21.238 393 HG SER 49 HG SER 49 -11.764 -1.114 19.284 394 H ASN 50 HN ASN 50 -13.988 -1.066 18.164 395 HA ASN 50 HA ASN 50 -16.202 0.429 16.976 396 1HB ASN 50 2HB ASN 50 -13.750 -1.057 16.094 397 2HB ASN 50 1HB ASN 50 -14.968 -0.641 14.889 398 1HD2 ASN 50 1HD2 ASN 50 -15.837 1.870 15.781 399 2HD2 ASN 50 2HD2 ASN 50 -14.543 2.968 15.758 400 HA PRO 51 HA PRO 51 -18.777 -3.286 17.073 401 1HB PRO 51 2HB PRO 51 -20.783 -1.737 15.714 402 2HB PRO 51 1HB PRO 51 -20.750 -2.225 17.410 403 1HG PRO 51 2HG PRO 51 -20.363 0.402 16.338 404 2HG PRO 51 1HG PRO 51 -20.280 -0.097 18.029 405 1HD PRO 51 2HD PRO 51 -18.097 0.660 16.275 406 2HD PRO 51 1HD PRO 51 -18.026 0.232 18.000 407 H ASN 52 HN ASN 52 -17.399 -1.575 14.492 408 HA ASN 52 HA ASN 52 -18.322 -3.671 12.560 409 1HB ASN 52 2HB ASN 52 -18.163 -0.668 12.330 410 2HB ASN 52 1HB ASN 52 -18.134 -1.687 10.890 411 1HD2 ASN 52 1HD2 ASN 52 -20.171 -0.455 13.467 412 2HD2 ASN 52 2HD2 ASN 52 -21.619 -1.152 12.916 413 H PHE 53 HN PHE 53 -15.818 -3.378 14.201 414 HA PHE 53 HA PHE 53 -13.704 -2.600 12.324 415 1HB PHE 53 2HB PHE 53 -12.297 -2.972 14.162 416 2HB PHE 53 1HB PHE 53 -13.827 -2.622 14.969 417 HD1 PHE 53 HD1 PHE 53 -15.416 -4.855 15.123 418 HD2 PHE 53 HD2 PHE 53 -11.121 -4.800 14.985 419 HE1 PHE 53 HE1 PHE 53 -15.350 -7.083 16.207 420 HE2 PHE 53 HE2 PHE 53 -11.058 -7.031 16.069 421 HZ PHE 53 HZ PHE 53 -13.170 -8.167 16.679 422 HA PRO 54 HA PRO 54 -12.687 -6.433 10.405 423 1HB PRO 54 2HB PRO 54 -10.444 -7.279 12.014 424 2HB PRO 54 1HB PRO 54 -10.419 -6.560 10.406 425 1HG PRO 54 2HG PRO 54 -9.684 -5.350 12.914 426 2HG PRO 54 1HG PRO 54 -9.627 -4.632 11.303 427 1HD PRO 54 2HD PRO 54 -11.433 -3.997 13.426 428 2HD PRO 54 1HD PRO 54 -11.452 -3.346 11.774 429 H GLU 55 HN GLU 55 -14.742 -7.103 11.579 430 HA GLU 55 HA GLU 55 -15.030 -8.461 13.967 431 1HB GLU 55 2HB GLU 55 -16.920 -9.522 12.902 432 2HB GLU 55 1HB GLU 55 -16.730 -7.926 12.170 433 1HG GLU 55 2HG GLU 55 -15.462 -8.962 10.299 434 2HG GLU 55 1HG GLU 55 -15.711 -10.550 11.026 435 H GLU 56 HN GLU 56 -13.561 -9.727 10.983 436 HA GLU 56 HA GLU 56 -13.376 -12.471 11.638 437 1HB GLU 56 2HB GLU 56 -11.428 -10.597 10.246 438 2HB GLU 56 1HB GLU 56 -11.352 -12.357 10.155 439 1HG GLU 56 2HG GLU 56 -13.677 -12.363 9.233 440 2HG GLU 56 1HG GLU 56 -13.640 -10.600 9.218 441 H LEU 57 HN LEU 57 -11.889 -9.714 13.051 442 HA LEU 57 HA LEU 57 -9.797 -11.298 14.453 443 1HB LEU 57 2HB LEU 57 -10.480 -8.356 14.180 444 2HB LEU 57 1HB LEU 57 -9.173 -8.944 15.211 445 HG LEU 57 HG LEU 57 -8.187 -10.088 13.232 446 1HD1 LEU 57 2HD1 LEU 57 -10.619 -8.912 11.949 447 2HD1 LEU 57 1HD1 LEU 57 -9.146 -9.056 10.993 448 3HD1 LEU 57 3HD1 LEU 57 -9.882 -10.491 11.704 449 1HD2 LEU 57 1HD2 LEU 57 -8.674 -7.105 13.032 450 2HD2 LEU 57 3HD2 LEU 57 -7.308 -7.913 13.801 451 3HD2 LEU 57 2HD2 LEU 57 -7.489 -7.963 12.047 452 H LYS 58 HN LYS 58 -12.916 -11.079 14.863 453 HA LYS 58 HA LYS 58 -13.746 -9.938 17.205 454 1HB LYS 58 2HB LYS 58 -15.321 -11.243 16.104 455 2HB LYS 58 1HB LYS 58 -14.204 -12.588 15.885 456 1HG LYS 58 2HG LYS 58 -14.326 -13.050 18.328 457 2HG LYS 58 1HG LYS 58 -15.502 -11.747 18.496 458 1HD LYS 58 2HD LYS 58 -16.145 -13.706 16.386 459 2HD LYS 58 1HD LYS 58 -16.156 -14.367 18.020 460 1HE LYS 58 2HE LYS 58 -18.180 -13.402 18.364 461 2HE LYS 58 1HE LYS 58 -17.447 -11.808 18.098 462 1HZ LYS 58 2HZ LYS 58 -18.197 -13.660 15.898 463 2HZ LYS 58 1HZ LYS 58 -19.225 -12.431 16.462 464 3HZ LYS 58 3HZ LYS 58 -17.732 -12.032 15.763 465 HA PRO 59 HA PRO 59 -11.825 -13.656 19.763 466 1HB PRO 59 2HB PRO 59 -9.444 -14.354 18.299 467 2HB PRO 59 1HB PRO 59 -10.814 -15.389 18.710 468 1HG PRO 59 2HG PRO 59 -10.127 -14.236 16.138 469 2HG PRO 59 1HG PRO 59 -11.400 -15.399 16.517 470 1HD PRO 59 2HD PRO 59 -11.756 -12.681 15.797 471 2HD PRO 59 1HD PRO 59 -13.005 -13.771 16.437 472 H LEU 60 HN LEU 60 -9.624 -11.679 17.721 473 HA LEU 60 HA LEU 60 -7.663 -11.113 19.685 474 1HB LEU 60 2HB LEU 60 -8.767 -9.711 17.255 475 2HB LEU 60 1HB LEU 60 -7.504 -8.951 18.219 476 HG LEU 60 HG LEU 60 -6.715 -10.391 16.250 477 1HD1 LEU 60 2HD1 LEU 60 -5.449 -9.725 18.437 478 2HD1 LEU 60 1HD1 LEU 60 -5.664 -11.420 18.873 479 3HD1 LEU 60 3HD1 LEU 60 -4.773 -10.993 17.414 480 1HD2 LEU 60 3HD2 LEU 60 -7.595 -12.573 18.164 481 2HD2 LEU 60 2HD2 LEU 60 -8.301 -12.245 16.581 482 3HD2 LEU 60 1HD2 LEU 60 -6.639 -12.824 16.703 483 H CYS 61 HN CYS 61 -10.793 -9.527 19.001 484 HA CYS 61 HA CYS 61 -10.463 -7.346 20.844 485 1HB CYS 61 2HB CYS 61 -12.085 -7.490 18.958 486 2HB CYS 61 1HB CYS 61 -12.947 -8.764 19.822 487 H LYS 62 HN LYS 62 -11.531 -10.691 21.203 488 HA LYS 62 HA LYS 62 -12.399 -10.196 24.004 489 1HB LYS 62 2HB LYS 62 -12.465 -12.593 22.143 490 2HB LYS 62 1HB LYS 62 -13.120 -12.597 23.781 491 1HG LYS 62 2HG LYS 62 -14.597 -10.682 23.147 492 2HG LYS 62 1HG LYS 62 -14.001 -10.812 21.492 493 1HD LYS 62 2HD LYS 62 -14.793 -13.187 21.447 494 2HD LYS 62 1HD LYS 62 -15.493 -12.946 23.048 495 1HE LYS 62 2HE LYS 62 -16.196 -11.229 20.643 496 2HE LYS 62 1HE LYS 62 -17.155 -12.623 21.176 497 1HZ LYS 62 1HZ LYS 62 -16.891 -11.458 23.487 498 2HZ LYS 62 3HZ LYS 62 -16.662 -10.066 22.545 499 3HZ LYS 62 2HZ LYS 62 -18.105 -10.953 22.411 500 H GLU 63 HN GLU 63 -9.495 -10.604 22.577 501 HA GLU 63 HA GLU 63 -8.454 -12.640 24.484 502 1HB GLU 63 2HB GLU 63 -7.910 -11.736 21.801 503 2HB GLU 63 1HB GLU 63 -6.447 -11.581 22.775 504 1HG GLU 63 2HG GLU 63 -6.548 -13.900 23.423 505 2HG GLU 63 1HG GLU 63 -8.146 -14.087 22.699 506 HA PRO 64 HA PRO 64 -6.861 -9.539 27.194 507 1HB PRO 64 2HB PRO 64 -4.597 -11.188 27.858 508 2HB PRO 64 1HB PRO 64 -6.073 -10.941 28.793 509 1HG PRO 64 2HG PRO 64 -5.274 -13.295 27.371 510 2HG PRO 64 1HG PRO 64 -6.772 -13.033 28.268 511 1HD PRO 64 2HD PRO 64 -6.407 -13.176 25.394 512 2HD PRO 64 1HD PRO 64 -7.925 -12.979 26.302 513 H ASN 65 HN ASN 65 -4.878 -11.084 24.726 514 HA ASN 65 HA ASN 65 -2.744 -9.056 24.903 515 1HB ASN 65 2HB ASN 65 -3.326 -11.352 23.007 516 2HB ASN 65 1HB ASN 65 -1.837 -10.408 23.007 517 1HD2 ASN 65 1HD2 ASN 65 -1.648 -13.164 23.510 518 2HD2 ASN 65 2HD2 ASN 65 -1.267 -13.422 25.144 519 H ALA 66 HN ALA 66 -5.817 -9.115 23.557 520 HA ALA 66 HA ALA 66 -5.744 -8.162 20.964 521 1HB ALA 66 2HB ALA 66 -7.635 -8.401 22.775 522 2HB ALA 66 1HB ALA 66 -7.309 -6.694 23.078 523 3HB ALA 66 3HB ALA 66 -7.835 -7.221 21.478 524 H GLN 67 HN GLN 67 -4.981 -6.316 23.911 525 HA GLN 67 HA GLN 67 -4.605 -3.755 22.717 526 1HB GLN 67 2HB GLN 67 -3.369 -5.116 25.131 527 2HB GLN 67 1HB GLN 67 -3.247 -3.386 24.807 528 1HG GLN 67 2HG GLN 67 -5.700 -3.193 24.847 529 2HG GLN 67 1HG GLN 67 -5.841 -4.929 25.133 530 1HE2 GLN 67 1HE2 GLN 67 -6.853 -2.977 27.004 531 2HE2 GLN 67 2HE2 GLN 67 -5.939 -3.096 28.430 532 H GLU 68 HN GLU 68 -2.331 -6.465 23.211 533 HA GLU 68 HA GLU 68 -0.068 -4.976 22.096 534 1HB GLU 68 2HB GLU 68 -0.553 -7.890 22.793 535 2HB GLU 68 1HB GLU 68 1.017 -7.225 22.340 536 1HG GLU 68 2HG GLU 68 -0.657 -6.263 24.681 537 2HG GLU 68 1HG GLU 68 0.717 -7.362 24.814 538 H ILE 69 HN ILE 69 -2.472 -7.296 20.946 539 HA ILE 69 HA ILE 69 -1.159 -7.834 18.408 540 HB ILE 69 HB ILE 69 -4.048 -8.129 19.302 541 1HG1 ILE 69 2HG1 ILE 69 -1.902 -10.259 19.277 542 2HG1 ILE 69 1HG1 ILE 69 -2.204 -9.260 20.699 543 1HG2 ILE 69 2HG2 ILE 69 -2.728 -8.573 16.794 544 2HG2 ILE 69 1HG2 ILE 69 -3.181 -10.137 17.470 545 3HG2 ILE 69 3HG2 ILE 69 -4.409 -8.897 17.214 546 1HD1 ILE 69 1HD1 ILE 69 -4.742 -10.000 20.129 547 2HD1 ILE 69 3HD1 ILE 69 -3.882 -11.403 19.495 548 3HD1 ILE 69 2HD1 ILE 69 -3.690 -10.942 21.186 549 H LEU 70 HN LEU 70 -3.864 -5.728 19.425 550 HA LEU 70 HA LEU 70 -4.669 -4.678 16.964 551 1HB LEU 70 2HB LEU 70 -5.768 -4.176 19.063 552 2HB LEU 70 1HB LEU 70 -4.320 -3.389 19.688 553 HG LEU 70 HG LEU 70 -6.236 -1.898 18.734 554 1HD1 LEU 70 1HD1 LEU 70 -3.511 -1.563 19.030 555 2HD1 LEU 70 3HD1 LEU 70 -3.776 -1.083 17.354 556 3HD1 LEU 70 2HD1 LEU 70 -4.657 -0.277 18.653 557 1HD2 LEU 70 2HD2 LEU 70 -6.505 -3.189 16.638 558 2HD2 LEU 70 1HD2 LEU 70 -6.067 -1.513 16.307 559 3HD2 LEU 70 3HD2 LEU 70 -4.850 -2.784 16.183 560 H GLN 71 HN GLN 71 -2.221 -3.149 19.108 561 HA GLN 71 HA GLN 71 -1.317 -1.121 17.426 562 1HB GLN 71 2HB GLN 71 -0.656 -1.673 19.796 563 2HB GLN 71 1HB GLN 71 0.396 -2.933 19.152 564 1HG GLN 71 2HG GLN 71 1.651 -1.261 17.868 565 2HG GLN 71 1HG GLN 71 0.574 0.011 18.445 566 1HE2 GLN 71 1HE2 GLN 71 3.179 0.455 19.086 567 2HE2 GLN 71 2HE2 GLN 71 3.497 0.091 20.713 568 H ARG 72 HN ARG 72 0.032 -4.447 17.573 569 HA ARG 72 HA ARG 72 1.915 -4.214 15.482 570 1HB ARG 72 2HB ARG 72 0.182 -6.513 16.439 571 2HB ARG 72 1HB ARG 72 1.545 -6.718 15.338 572 1HG ARG 72 2HG ARG 72 2.953 -5.497 17.101 573 2HG ARG 72 1HG ARG 72 1.593 -5.736 18.198 574 1HD ARG 72 2HD ARG 72 3.001 -7.978 16.701 575 2HD ARG 72 1HD ARG 72 3.280 -7.567 18.404 576 HE ARG 72 HE ARG 72 0.684 -7.883 18.586 577 1HH1 ARG 72 1HH1 ARG 72 2.987 -10.117 17.786 578 2HH1 ARG 72 2HH1 ARG 72 1.907 -11.275 17.085 579 1HH2 ARG 72 1HH2 ARG 72 -0.820 -9.134 17.093 580 2HH2 ARG 72 2HH2 ARG 72 -0.248 -10.719 16.693 581 H LEU 73 HN LEU 73 -1.412 -5.546 15.215 582 HA LEU 73 HA LEU 73 -1.545 -5.911 12.449 583 1HB LEU 73 2HB LEU 73 -3.631 -4.881 14.399 584 2HB LEU 73 1HB LEU 73 -3.998 -5.535 12.802 585 HG LEU 73 HG LEU 73 -2.716 -6.989 15.132 586 1HD1 LEU 73 2HD1 LEU 73 -5.388 -6.898 13.865 587 2HD1 LEU 73 1HD1 LEU 73 -4.777 -8.517 14.202 588 3HD1 LEU 73 3HD1 LEU 73 -4.937 -7.346 15.511 589 1HD2 LEU 73 2HD2 LEU 73 -2.692 -7.521 12.208 590 2HD2 LEU 73 1HD2 LEU 73 -1.543 -8.017 13.452 591 3HD2 LEU 73 3HD2 LEU 73 -3.058 -8.897 13.247 592 H GLU 74 HN GLU 74 -2.435 -2.920 14.226 593 HA GLU 74 HA GLU 74 -3.093 -1.291 12.029 594 1HB GLU 74 2HB GLU 74 -1.638 -0.597 14.603 595 2HB GLU 74 1HB GLU 74 -2.494 0.554 13.577 596 1HG GLU 74 2HG GLU 74 -3.741 -1.837 14.966 597 2HG GLU 74 1HG GLU 74 -3.913 -0.154 15.464 598 H GLU 75 HN GLU 75 0.140 -1.674 13.561 599 HA GLU 75 HA GLU 75 1.602 0.060 11.887 600 1HB GLU 75 2HB GLU 75 2.306 -2.562 13.236 601 2HB GLU 75 1HB GLU 75 3.507 -1.480 12.532 602 1HG GLU 75 2HG GLU 75 2.711 0.344 14.014 603 2HG GLU 75 1HG GLU 75 1.548 -0.767 14.737 604 H ILE 76 HN ILE 76 1.121 -3.472 11.458 605 HA ILE 76 HA ILE 76 2.449 -3.652 8.930 606 HB ILE 76 HB ILE 76 0.168 -5.285 10.093 607 1HG1 ILE 76 2HG1 ILE 76 1.921 -5.184 11.725 608 2HG1 ILE 76 1HG1 ILE 76 2.117 -6.726 10.891 609 1HG2 ILE 76 2HG2 ILE 76 0.952 -5.554 7.607 610 2HG2 ILE 76 1HG2 ILE 76 2.373 -6.313 8.322 611 3HG2 ILE 76 3HG2 ILE 76 0.772 -6.994 8.607 612 1HD1 ILE 76 3HD1 ILE 76 3.715 -5.425 9.312 613 2HD1 ILE 76 2HD1 ILE 76 3.737 -4.201 10.582 614 3HD1 ILE 76 1HD1 ILE 76 4.304 -5.835 10.923 615 H ALA 77 HN ALA 77 -0.901 -2.912 9.818 616 HA ALA 77 HA ALA 77 -2.132 -3.074 7.267 617 1HB ALA 77 1HB ALA 77 -2.875 -2.464 9.801 618 2HB ALA 77 2HB ALA 77 -3.886 -2.107 8.400 619 3HB ALA 77 3HB ALA 77 -2.868 -0.847 9.098 620 H GLU 78 HN GLU 78 -0.221 -0.481 8.758 621 HA GLU 78 HA GLU 78 -0.693 1.560 6.816 622 1HB GLU 78 2HB GLU 78 0.356 1.820 9.062 623 2HB GLU 78 1HB GLU 78 1.776 0.953 8.478 624 1HG GLU 78 2HG GLU 78 2.046 2.696 6.700 625 2HG GLU 78 1HG GLU 78 0.707 3.588 7.420 626 H ASP 79 HN ASP 79 1.701 -1.079 6.937 627 HA ASP 79 HA ASP 79 1.957 -1.325 4.114 628 1HB ASP 79 2HB ASP 79 3.384 0.880 5.409 629 2HB ASP 79 1HB ASP 79 4.463 -0.172 4.493 630 HA PRO 80 HA PRO 80 3.752 -4.725 6.612 631 1HB PRO 80 2HB PRO 80 3.266 -6.358 4.292 632 2HB PRO 80 1HB PRO 80 2.416 -6.382 5.839 633 1HG PRO 80 2HG PRO 80 1.471 -5.389 3.309 634 2HG PRO 80 1HG PRO 80 0.608 -5.439 4.848 635 1HD PRO 80 2HD PRO 80 1.653 -3.124 3.492 636 2HD PRO 80 1HD PRO 80 0.827 -3.180 5.067 637 H GLY 81 HN GLY 81 5.794 -3.400 6.151 638 1HA GLY 81 1HA GLY 81 8.049 -3.552 5.461 639 2HA GLY 81 2HA GLY 81 7.331 -3.367 3.861 640 H THR 82 HN THR 82 8.100 -5.845 6.314 641 HA THR 82 HA THR 82 9.259 -7.617 4.342 642 HB THR 82 HB THR 82 9.499 -9.091 6.288 643 HG1 THR 82 1HG THR 82 7.798 -7.231 7.587 644 1HG2 THR 82 1HG2 THR 82 10.349 -6.375 6.152 645 2HG2 THR 82 3HG2 THR 82 9.977 -6.734 7.838 646 3HG2 THR 82 2HG2 THR 82 11.146 -7.723 6.963 647 H CYS 83 HN CYS 83 6.346 -8.005 6.404 648 HA CYS 83 HA CYS 83 5.241 -10.330 5.466 649 1HB CYS 83 2HB CYS 83 4.311 -8.646 7.117 650 2HB CYS 83 1HB CYS 83 3.722 -7.720 5.738 651 H GLU 84 HN GLU 84 4.824 -7.159 3.838 652 HA GLU 84 HA GLU 84 3.351 -8.082 1.594 653 1HB GLU 84 2HB GLU 84 3.795 -5.720 2.377 654 2HB GLU 84 1HB GLU 84 5.413 -5.861 1.688 655 1HG GLU 84 2HG GLU 84 4.399 -6.366 -0.527 656 2HG GLU 84 1HG GLU 84 2.797 -6.147 0.176 657 H ILE 85 HN ILE 85 6.894 -7.793 2.033 658 HA ILE 85 HA ILE 85 7.365 -8.961 -0.641 659 HB ILE 85 HB ILE 85 9.690 -8.429 -0.124 660 1HG1 ILE 85 2HG1 ILE 85 8.619 -8.021 2.677 661 2HG1 ILE 85 1HG1 ILE 85 9.845 -9.178 2.162 662 1HG2 ILE 85 2HG2 ILE 85 7.580 -6.577 -0.166 663 2HG2 ILE 85 1HG2 ILE 85 8.625 -6.049 1.154 664 3HG2 ILE 85 3HG2 ILE 85 9.284 -6.238 -0.470 665 1HD1 ILE 85 1HD1 ILE 85 10.798 -6.696 1.282 666 2HD1 ILE 85 3HD1 ILE 85 10.141 -6.374 2.887 667 3HD1 ILE 85 2HD1 ILE 85 11.384 -7.607 2.674 668 H CYS 86 HN CYS 86 6.222 -10.430 1.886 669 HA CYS 86 HA CYS 86 6.372 -12.622 2.756 670 1HB CYS 86 2HB CYS 86 8.250 -13.092 0.433 671 2HB CYS 86 1HB CYS 86 7.121 -14.232 1.163 672 H ALA 87 HN ALA 87 8.690 -10.469 3.096 673 HA ALA 87 HA ALA 87 11.114 -11.935 3.560 674 1HB ALA 87 1HB ALA 87 11.132 -9.765 5.274 675 2HB ALA 87 2HB ALA 87 9.943 -9.284 4.063 676 3HB ALA 87 3HB ALA 87 11.583 -9.708 3.570 677 H TYR 88 HN TYR 88 8.158 -11.684 5.365 678 HA TYR 88 HA TYR 88 9.426 -13.234 7.592 679 1HB TYR 88 2HB TYR 88 8.025 -10.627 7.576 680 2HB TYR 88 1HB TYR 88 7.512 -11.739 8.845 681 HD1 TYR 88 HD1 TYR 88 10.594 -10.320 7.259 682 HD2 TYR 88 HD2 TYR 88 8.793 -11.955 10.800 683 HE1 TYR 88 HE1 TYR 88 12.651 -9.802 8.545 684 HE2 TYR 88 HE2 TYR 88 10.850 -11.436 12.086 685 HH TYR 88 HH TYR 88 12.894 -10.587 12.018 686 H ALA 89 HN ALA 89 7.743 -14.418 8.885 687 HA ALA 89 HA ALA 89 5.869 -15.797 7.142 688 1HB ALA 89 2HB ALA 89 7.272 -16.426 9.348 689 2HB ALA 89 1HB ALA 89 5.744 -16.000 10.117 690 3HB ALA 89 3HB ALA 89 5.796 -17.283 8.909 691 H ALA 90 HN ALA 90 5.616 -12.781 8.399 692 HA ALA 90 HA ALA 90 3.023 -12.786 9.663 693 1HB ALA 90 2HB ALA 90 5.067 -11.051 9.422 694 2HB ALA 90 3HB ALA 90 3.427 -10.521 9.802 695 3HB ALA 90 1HB ALA 90 4.024 -10.424 8.145 696 H CYS 91 HN CYS 91 4.106 -12.545 6.303 697 HA CYS 91 HA CYS 91 1.268 -12.161 5.435 698 1HB CYS 91 2HB CYS 91 3.905 -11.239 4.592 699 2HB CYS 91 1HB CYS 91 2.966 -11.888 3.248 700 H THR 92 HN THR 92 0.261 -13.958 4.646 701 HA THR 92 HA THR 92 1.952 -16.222 3.647 702 HB THR 92 HB THR 92 0.066 -17.610 4.331 703 HG1 THR 92 1HG THR 92 -1.214 -15.204 5.094 704 1HG2 THR 92 2HG2 THR 92 1.728 -16.466 6.035 705 2HG2 THR 92 1HG2 THR 92 0.272 -15.631 6.572 706 3HG2 THR 92 3HG2 THR 92 0.349 -17.392 6.627 707 H GLY 93 HN GLY 93 0.960 -17.458 1.804 708 1HA GLY 93 1HA GLY 93 -0.972 -15.918 0.163 709 2HA GLY 93 2HA GLY 93 -0.481 -17.588 -0.124 710 H CYS 94 HN CYS 94 2.257 -15.830 0.589 711 HA CYS 94 HA CYS 94 2.757 -14.541 -1.963 712 1HB CYS 94 2HB CYS 94 4.070 -15.044 0.619 713 2HB CYS 94 1HB CYS 94 5.194 -15.000 -0.739 No H/Q in entry = 713 Start of MODEL 16 1 H1 VAL 1 2H VAL 1 -2.751 -11.822 -0.326 2 H2 VAL 1 1H VAL 1 -1.439 -12.477 -1.185 3 H3 VAL 1 3H VAL 1 -2.285 -13.436 -0.069 4 HA VAL 1 HA VAL 1 -0.438 -12.869 1.173 5 HB VAL 1 HB VAL 1 0.432 -10.454 0.905 6 1HG1 VAL 1 1HG1 VAL 1 1.270 -12.625 -0.241 7 2HG1 VAL 1 3HG1 VAL 1 0.449 -12.011 -1.677 8 3HG1 VAL 1 2HG1 VAL 1 1.757 -11.082 -0.944 9 1HG2 VAL 1 1HG2 VAL 1 -1.964 -10.122 -0.421 10 2HG2 VAL 1 3HG2 VAL 1 -0.577 -9.040 -0.556 11 3HG2 VAL 1 2HG2 VAL 1 -0.821 -10.313 -1.751 12 H THR 2 HN THR 2 -1.689 -13.023 3.064 13 HA THR 2 HA THR 2 -3.109 -10.520 3.925 14 HB THR 2 HB THR 2 -3.700 -13.407 4.640 15 HG1 THR 2 1HG THR 2 -5.284 -13.290 3.109 16 1HG2 THR 2 2HG2 THR 2 -4.782 -10.773 5.432 17 2HG2 THR 2 1HG2 THR 2 -5.991 -11.988 5.016 18 3HG2 THR 2 3HG2 THR 2 -4.819 -12.312 6.292 19 H VAL 3 HN VAL 3 -2.850 -9.917 6.132 20 HA VAL 3 HA VAL 3 -0.381 -10.906 7.416 21 HB VAL 3 HB VAL 3 -2.410 -8.753 8.105 22 1HG1 VAL 3 3HG1 VAL 3 0.291 -9.433 9.300 23 2HG1 VAL 3 2HG1 VAL 3 -0.558 -7.916 9.595 24 3HG1 VAL 3 1HG1 VAL 3 -1.267 -9.440 10.126 25 1HG2 VAL 3 1HG2 VAL 3 -0.815 -8.696 5.982 26 2HG2 VAL 3 3HG2 VAL 3 -1.049 -7.253 6.969 27 3HG2 VAL 3 2HG2 VAL 3 0.395 -8.242 7.183 28 H GLN 4 HN GLN 4 -0.522 -12.652 8.786 29 HA GLN 4 HA GLN 4 -3.121 -13.123 10.201 30 1HB GLN 4 2HB GLN 4 -2.438 -15.461 10.188 31 2HB GLN 4 1HB GLN 4 -2.252 -14.811 8.558 32 1HG GLN 4 2HG GLN 4 0.124 -14.558 8.847 33 2HG GLN 4 1HG GLN 4 0.010 -14.909 10.571 34 1HE2 GLN 4 1HE2 GLN 4 1.712 -16.488 8.958 35 2HE2 GLN 4 2HE2 GLN 4 1.055 -18.047 8.808 36 H ASP 5 HN ASP 5 -3.090 -13.555 12.433 37 HA ASP 5 HA ASP 5 -0.537 -12.864 13.849 38 1HB ASP 5 2HB ASP 5 -3.472 -12.585 14.566 39 2HB ASP 5 1HB ASP 5 -2.159 -12.241 15.692 40 H GLY 6 HN GLY 6 -2.008 -15.530 12.879 41 1HA GLY 6 1HA GLY 6 -2.541 -17.034 15.264 42 2HA GLY 6 2HA GLY 6 -0.872 -17.297 14.755 43 H ASN 7 HN ASN 7 -3.704 -18.780 14.584 44 HA ASN 7 HA ASN 7 -3.010 -20.225 12.121 45 1HB ASN 7 2HB ASN 7 -5.255 -20.461 14.151 46 2HB ASN 7 1HB ASN 7 -4.944 -21.629 12.867 47 1HD2 ASN 7 1HD2 ASN 7 -4.789 -22.456 15.576 48 2HD2 ASN 7 2HD2 ASN 7 -3.169 -22.780 15.965 49 H PHE 8 HN PHE 8 -4.517 -17.351 12.562 50 HA PHE 8 HA PHE 8 -6.426 -17.828 10.295 51 1HB PHE 8 2HB PHE 8 -6.655 -15.978 12.692 52 2HB PHE 8 1HB PHE 8 -7.848 -16.123 11.402 53 HD1 PHE 8 HD1 PHE 8 -6.283 -17.818 14.284 54 HD2 PHE 8 HD2 PHE 8 -9.277 -18.082 11.215 55 HE1 PHE 8 HE1 PHE 8 -7.305 -19.755 15.448 56 HE2 PHE 8 HE2 PHE 8 -10.299 -20.019 12.378 57 HZ PHE 8 HZ PHE 8 -9.314 -20.855 14.495 58 H SER 9 HN SER 9 -6.467 -16.185 8.693 59 HA SER 9 HA SER 9 -4.147 -14.311 8.756 60 1HB SER 9 2HB SER 9 -4.484 -14.283 6.328 61 2HB SER 9 1HB SER 9 -4.459 -15.952 6.897 62 HG SER 9 HG SER 9 -6.561 -14.426 5.912 63 H PHE 10 HN PHE 10 -4.481 -12.096 8.786 64 HA PHE 10 HA PHE 10 -7.323 -11.138 8.633 65 1HB PHE 10 2HB PHE 10 -4.981 -10.156 10.297 66 2HB PHE 10 1HB PHE 10 -6.605 -9.468 10.319 67 HD1 PHE 10 HD1 PHE 10 -8.128 -12.101 10.015 68 HD2 PHE 10 HD2 PHE 10 -4.878 -10.934 12.570 69 HE1 PHE 10 HE1 PHE 10 -8.829 -13.798 11.682 70 HE2 PHE 10 HE2 PHE 10 -5.578 -12.632 14.235 71 HZ PHE 10 HZ PHE 10 -7.554 -14.063 13.793 72 H SER 11 HN SER 11 -7.692 -9.540 7.129 73 HA SER 11 HA SER 11 -5.606 -8.701 5.308 74 1HB SER 11 2HB SER 11 -8.031 -9.006 4.787 75 2HB SER 11 1HB SER 11 -8.396 -7.608 5.798 76 HG SER 11 HG SER 11 -7.580 -7.675 3.255 77 H LEU 12 HN LEU 12 -5.149 -6.324 4.911 78 HA LEU 12 HA LEU 12 -4.613 -4.965 7.503 79 1HB LEU 12 2HB LEU 12 -3.669 -4.523 4.651 80 2HB LEU 12 1HB LEU 12 -3.086 -3.620 6.048 81 HG LEU 12 HG LEU 12 -2.481 -5.898 7.068 82 1HD1 LEU 12 1HD1 LEU 12 -3.317 -6.652 4.292 83 2HD1 LEU 12 3HD1 LEU 12 -1.965 -7.515 5.024 84 3HD1 LEU 12 2HD1 LEU 12 -3.547 -7.528 5.805 85 1HD2 LEU 12 3HD2 LEU 12 -1.051 -4.144 5.538 86 2HD2 LEU 12 2HD2 LEU 12 -0.354 -5.562 6.321 87 3HD2 LEU 12 1HD2 LEU 12 -0.835 -5.637 4.626 88 H GLU 13 HN GLU 13 -6.863 -4.864 4.958 89 HA GLU 13 HA GLU 13 -7.317 -2.035 4.720 90 1HB GLU 13 2HB GLU 13 -8.048 -3.842 3.149 91 2HB GLU 13 1HB GLU 13 -9.223 -4.367 4.354 92 1HG GLU 13 2HG GLU 13 -10.230 -2.080 4.307 93 2HG GLU 13 1HG GLU 13 -9.109 -1.647 3.015 94 H SER 14 HN SER 14 -9.602 -4.356 6.207 95 HA SER 14 HA SER 14 -11.156 -2.571 7.660 96 1HB SER 14 2HB SER 14 -10.189 -5.235 8.725 97 2HB SER 14 1HB SER 14 -11.765 -4.483 8.971 98 HG SER 14 HG SER 14 -12.366 -5.480 7.247 99 H VAL 15 HN VAL 15 -8.111 -4.098 8.794 100 HA VAL 15 HA VAL 15 -8.078 -2.850 11.367 101 HB VAL 15 HB VAL 15 -5.968 -3.962 9.504 102 1HG1 VAL 15 1HG1 VAL 15 -4.953 -2.283 11.033 103 2HG1 VAL 15 3HG1 VAL 15 -5.654 -3.135 12.408 104 3HG1 VAL 15 2HG1 VAL 15 -4.427 -3.922 11.416 105 1HG2 VAL 15 2HG2 VAL 15 -7.783 -4.978 11.608 106 2HG2 VAL 15 1HG2 VAL 15 -7.044 -5.830 10.249 107 3HG2 VAL 15 3HG2 VAL 15 -6.118 -5.554 11.725 108 H LYS 16 HN LYS 16 -6.384 -1.928 8.331 109 HA LYS 16 HA LYS 16 -5.189 0.463 9.253 110 1HB LYS 16 2HB LYS 16 -4.775 -0.592 7.063 111 2HB LYS 16 1HB LYS 16 -6.425 -0.220 6.561 112 1HG LYS 16 2HG LYS 16 -5.903 2.220 6.943 113 2HG LYS 16 1HG LYS 16 -4.222 1.759 7.208 114 1HD LYS 16 2HD LYS 16 -4.133 0.765 4.954 115 2HD LYS 16 1HD LYS 16 -5.820 1.205 4.687 116 1HE LYS 16 2HE LYS 16 -5.324 3.444 4.396 117 2HE LYS 16 1HE LYS 16 -3.958 3.392 5.527 118 1HZ LYS 16 3HZ LYS 16 -3.962 1.934 2.941 119 2HZ LYS 16 2HZ LYS 16 -3.359 3.516 3.089 120 3HZ LYS 16 1HZ LYS 16 -2.640 2.245 3.958 121 H LYS 17 HN LYS 17 -8.371 0.034 7.669 122 HA LYS 17 HA LYS 17 -9.193 2.783 8.256 123 1HB LYS 17 2HB LYS 17 -9.831 1.376 6.245 124 2HB LYS 17 1HB LYS 17 -10.816 0.391 7.328 125 1HG LYS 17 2HG LYS 17 -12.084 2.424 7.988 126 2HG LYS 17 1HG LYS 17 -11.128 3.370 6.848 127 1HD LYS 17 2HD LYS 17 -11.913 1.797 5.028 128 2HD LYS 17 1HD LYS 17 -13.021 1.094 6.207 129 1HE LYS 17 2HE LYS 17 -14.448 2.718 5.409 130 2HE LYS 17 1HE LYS 17 -13.555 3.761 6.531 131 1HZ LYS 17 2HZ LYS 17 -11.908 4.089 4.702 132 2HZ LYS 17 1HZ LYS 17 -12.979 3.291 3.651 133 3HZ LYS 17 3HZ LYS 17 -13.438 4.755 4.376 134 H LEU 18 HN LEU 18 -8.750 0.254 10.280 135 HA LEU 18 HA LEU 18 -11.200 -0.088 11.691 136 1HB LEU 18 2HB LEU 18 -9.110 -1.451 11.833 137 2HB LEU 18 1HB LEU 18 -8.325 -0.113 12.672 138 HG LEU 18 HG LEU 18 -9.817 -0.300 14.542 139 1HD1 LEU 18 1HD1 LEU 18 -11.340 -2.291 12.832 140 2HD1 LEU 18 3HD1 LEU 18 -11.689 -1.946 14.527 141 3HD1 LEU 18 2HD1 LEU 18 -11.895 -0.686 13.310 142 1HD2 LEU 18 3HD2 LEU 18 -7.971 -2.076 14.189 143 2HD2 LEU 18 2HD2 LEU 18 -9.230 -2.447 15.369 144 3HD2 LEU 18 1HD2 LEU 18 -9.287 -3.171 13.762 145 H LYS 19 HN LYS 19 -8.614 2.347 12.000 146 HA LYS 19 HA LYS 19 -9.540 3.581 14.413 147 1HB LYS 19 2HB LYS 19 -8.051 4.684 12.006 148 2HB LYS 19 1HB LYS 19 -8.131 5.463 13.586 149 1HG LYS 19 2HG LYS 19 -7.084 3.455 14.606 150 2HG LYS 19 1HG LYS 19 -6.961 2.724 13.006 151 1HD LYS 19 2HD LYS 19 -5.591 4.686 12.270 152 2HD LYS 19 1HD LYS 19 -5.633 5.291 13.926 153 1HE LYS 19 2HE LYS 19 -3.628 4.089 13.967 154 2HE LYS 19 1HE LYS 19 -4.760 2.817 14.464 155 1HZ LYS 19 2HZ LYS 19 -5.053 2.651 11.857 156 2HZ LYS 19 1HZ LYS 19 -3.465 3.253 11.872 157 3HZ LYS 19 3HZ LYS 19 -3.825 1.798 12.664 158 H ASP 20 HN ASP 20 -10.375 4.099 10.997 159 HA ASP 20 HA ASP 20 -12.466 6.067 11.862 160 1HB ASP 20 2HB ASP 20 -10.989 5.628 9.247 161 2HB ASP 20 1HB ASP 20 -12.273 6.817 9.468 162 H LEU 21 HN LEU 21 -14.266 4.727 12.182 163 HA LEU 21 HA LEU 21 -14.977 2.830 9.975 164 1HB LEU 21 2HB LEU 21 -14.630 1.955 12.291 165 2HB LEU 21 1HB LEU 21 -15.933 3.002 12.852 166 HG LEU 21 HG LEU 21 -17.437 1.873 11.155 167 1HD1 LEU 21 3HD1 LEU 21 -15.310 0.998 9.909 168 2HD1 LEU 21 2HD1 LEU 21 -15.368 -0.313 11.088 169 3HD1 LEU 21 1HD1 LEU 21 -16.731 -0.043 10.001 170 1HD2 LEU 21 3HD2 LEU 21 -16.765 1.140 13.720 171 2HD2 LEU 21 2HD2 LEU 21 -18.087 0.435 12.792 172 3HD2 LEU 21 1HD2 LEU 21 -16.516 -0.365 12.836 173 H GLN 22 HN GLN 22 -16.752 3.339 8.745 174 HA GLN 22 HA GLN 22 -18.635 5.428 9.798 175 1HB GLN 22 2HB GLN 22 -17.602 4.889 6.994 176 2HB GLN 22 1HB GLN 22 -18.826 6.095 7.389 177 1HG GLN 22 2HG GLN 22 -17.232 7.246 8.868 178 2HG GLN 22 1HG GLN 22 -16.009 6.027 8.514 179 1HE2 GLN 22 1HE2 GLN 22 -15.469 8.732 7.894 180 2HE2 GLN 22 2HE2 GLN 22 -15.463 8.931 6.208 181 H GLU 23 HN GLU 23 -20.863 5.216 8.932 182 HA GLU 23 HA GLU 23 -22.115 2.780 9.266 183 1HB GLU 23 2HB GLU 23 -22.701 5.361 8.232 184 2HB GLU 23 1HB GLU 23 -23.365 4.190 7.090 185 1HG GLU 23 2HG GLU 23 -24.958 4.801 8.935 186 2HG GLU 23 1HG GLU 23 -24.594 3.077 8.866 187 HA PRO 24 HA PRO 24 -21.728 1.876 4.494 188 1HB PRO 24 2HB PRO 24 -19.398 3.307 3.596 189 2HB PRO 24 1HB PRO 24 -21.066 3.492 3.051 190 1HG PRO 24 2HG PRO 24 -19.527 5.296 4.673 191 2HG PRO 24 1HG PRO 24 -21.193 5.484 4.123 192 1HD PRO 24 2HD PRO 24 -20.269 4.921 6.793 193 2HD PRO 24 1HD PRO 24 -21.948 5.094 6.237 194 H GLN 25 HN GLN 25 -20.142 0.376 3.459 195 HA GLN 25 HA GLN 25 -18.649 -1.175 5.304 196 1HB GLN 25 2HB GLN 25 -18.436 -0.857 2.291 197 2HB GLN 25 1HB GLN 25 -17.756 -2.203 3.207 198 1HG GLN 25 2HG GLN 25 -20.005 -2.800 4.016 199 2HG GLN 25 1HG GLN 25 -20.693 -1.442 3.124 200 1HE2 GLN 25 1HE2 GLN 25 -21.541 -4.095 2.547 201 2HE2 GLN 25 2HE2 GLN 25 -20.977 -4.529 1.005 202 H GLU 26 HN GLU 26 -16.156 -1.507 3.850 203 HA GLU 26 HA GLU 26 -14.754 1.014 4.677 204 1HB GLU 26 2HB GLU 26 -12.848 -0.578 5.111 205 2HB GLU 26 1HB GLU 26 -14.270 -0.896 6.104 206 1HG GLU 26 2HG GLU 26 -14.359 -2.293 3.533 207 2HG GLU 26 1HG GLU 26 -12.964 -2.756 4.508 208 HA PRO 27 HA PRO 27 -14.238 0.506 0.077 209 1HB PRO 27 2HB PRO 27 -14.085 3.378 0.020 210 2HB PRO 27 1HB PRO 27 -15.366 2.345 -0.618 211 1HG PRO 27 2HG PRO 27 -15.458 4.043 1.695 212 2HG PRO 27 1HG PRO 27 -16.736 3.003 1.064 213 1HD PRO 27 2HD PRO 27 -15.153 2.622 3.451 214 2HD PRO 27 1HD PRO 27 -16.453 1.582 2.823 215 H ARG 28 HN ARG 28 -12.267 0.982 -1.129 216 HA ARG 28 HA ARG 28 -10.042 2.173 0.486 217 1HB ARG 28 2HB ARG 28 -8.640 0.291 -0.211 218 2HB ARG 28 1HB ARG 28 -10.094 -0.327 0.571 219 1HG ARG 28 2HG ARG 28 -11.121 -0.527 -1.743 220 2HG ARG 28 1HG ARG 28 -9.522 -0.176 -2.399 221 1HD ARG 28 2HD ARG 28 -8.612 -2.132 -1.123 222 2HD ARG 28 1HD ARG 28 -10.264 -2.515 -0.603 223 HE ARG 28 HE ARG 28 -9.280 -2.601 -3.422 224 1HH1 ARG 28 1HH1 ARG 28 -12.168 -1.767 -3.162 225 2HH1 ARG 28 2HH1 ARG 28 -12.984 -3.293 -3.256 226 1HH2 ARG 28 1HH2 ARG 28 -10.129 -5.159 -2.630 227 2HH2 ARG 28 2HH2 ARG 28 -11.830 -5.213 -2.956 228 H VAL 29 HN VAL 29 -8.378 3.152 -0.806 229 HA VAL 29 HA VAL 29 -9.074 3.503 -3.705 230 HB VAL 29 HB VAL 29 -7.893 5.511 -1.757 231 1HG1 VAL 29 2HG1 VAL 29 -8.322 5.443 -4.667 232 2HG1 VAL 29 1HG1 VAL 29 -8.995 6.874 -3.884 233 3HG1 VAL 29 3HG1 VAL 29 -7.281 6.496 -3.709 234 1HG2 VAL 29 1HG2 VAL 29 -10.294 4.828 -1.317 235 2HG2 VAL 29 3HG2 VAL 29 -10.073 6.538 -1.695 236 3HG2 VAL 29 2HG2 VAL 29 -10.687 5.434 -2.926 237 H GLY 30 HN GLY 30 -7.365 3.177 -5.114 238 1HA GLY 30 1HA GLY 30 -4.590 3.326 -4.121 239 2HA GLY 30 2HA GLY 30 -5.075 3.107 -5.803 240 H LYS 31 HN LYS 31 -3.908 1.232 -6.261 241 HA LYS 31 HA LYS 31 -5.008 -1.298 -5.521 242 1HB LYS 31 2HB LYS 31 -2.317 -0.467 -6.650 243 2HB LYS 31 1HB LYS 31 -2.912 -2.127 -6.631 244 1HG LYS 31 2HG LYS 31 -4.909 -1.381 -7.934 245 2HG LYS 31 1HG LYS 31 -4.206 0.233 -8.030 246 1HD LYS 31 2HD LYS 31 -2.184 -0.777 -9.119 247 2HD LYS 31 1HD LYS 31 -3.021 -2.328 -9.140 248 1HE LYS 31 2HE LYS 31 -4.818 -1.361 -10.525 249 2HE LYS 31 1HE LYS 31 -4.008 0.218 -10.481 250 1HZ LYS 31 3HZ LYS 31 -2.011 -0.887 -11.389 251 2HZ LYS 31 2HZ LYS 31 -2.898 -2.327 -11.552 252 3HZ LYS 31 1HZ LYS 31 -3.326 -0.954 -12.457 253 H LEU 32 HN LEU 32 -2.320 0.591 -4.184 254 HA LEU 32 HA LEU 32 -1.697 -1.595 -2.257 255 1HB LEU 32 2HB LEU 32 -0.359 1.075 -2.807 256 2HB LEU 32 1HB LEU 32 0.308 -0.244 -1.846 257 HG LEU 32 HG LEU 32 -0.528 -1.177 -4.469 258 1HD1 LEU 32 3HD1 LEU 32 0.436 1.425 -4.540 259 2HD1 LEU 32 2HD1 LEU 32 1.876 0.454 -4.842 260 3HD1 LEU 32 1HD1 LEU 32 0.465 0.284 -5.886 261 1HD2 LEU 32 1HD2 LEU 32 2.130 -1.063 -3.010 262 2HD2 LEU 32 3HD2 LEU 32 0.983 -2.402 -2.985 263 3HD2 LEU 32 2HD2 LEU 32 1.828 -1.993 -4.479 264 H ARG 33 HN ARG 33 -1.978 -1.305 -0.020 265 HA ARG 33 HA ARG 33 -3.636 1.051 0.784 266 1HB ARG 33 2HB ARG 33 -3.165 -1.663 2.068 267 2HB ARG 33 1HB ARG 33 -4.310 -0.449 2.638 268 1HG ARG 33 2HG ARG 33 -5.505 -0.575 0.471 269 2HG ARG 33 1HG ARG 33 -4.372 -1.814 -0.071 270 1HD ARG 33 2HD ARG 33 -5.072 -3.178 1.973 271 2HD ARG 33 1HD ARG 33 -6.386 -2.007 2.189 272 HE ARG 33 HE ARG 33 -7.343 -2.758 0.109 273 1HH1 ARG 33 1HH1 ARG 33 -5.493 -5.102 1.471 274 2HH1 ARG 33 2HH1 ARG 33 -5.109 -5.947 0.008 275 1HH2 ARG 33 1HH2 ARG 33 -6.344 -3.457 -2.065 276 2HH2 ARG 33 2HH2 ARG 33 -5.590 -5.015 -1.994 277 H ASN 34 HN ASN 34 -2.088 2.614 1.374 278 HA ASN 34 HA ASN 34 -0.307 1.863 3.656 279 1HB ASN 34 2HB ASN 34 1.553 2.920 2.570 280 2HB ASN 34 1HB ASN 34 0.808 1.881 1.357 281 1HD2 ASN 34 1HD2 ASN 34 2.366 4.166 0.601 282 2HD2 ASN 34 2HD2 ASN 34 1.332 5.309 -0.111 283 H PHE 35 HN PHE 35 0.246 3.690 5.028 284 HA PHE 35 HA PHE 35 -0.642 6.380 4.560 285 1HB PHE 35 2HB PHE 35 -2.828 5.164 4.667 286 2HB PHE 35 1HB PHE 35 -2.430 4.658 6.307 287 HD1 PHE 35 HD1 PHE 35 -3.177 7.570 4.142 288 HD2 PHE 35 HD2 PHE 35 -2.550 6.194 8.162 289 HE1 PHE 35 HE1 PHE 35 -4.027 9.731 5.014 290 HE2 PHE 35 HE2 PHE 35 -3.400 8.355 9.033 291 HZ PHE 35 HZ PHE 35 -4.137 10.123 7.460 292 H ALA 36 HN ALA 36 -0.331 7.730 6.514 293 HA ALA 36 HA ALA 36 1.932 7.099 8.069 294 1HB ALA 36 3HB ALA 36 0.036 8.808 9.457 295 2HB ALA 36 2HB ALA 36 1.559 9.244 8.683 296 3HB ALA 36 1HB ALA 36 0.074 9.184 7.735 297 HA PRO 37 HA PRO 37 -0.216 4.093 10.693 298 1HB PRO 37 2HB PRO 37 2.395 3.191 11.498 299 2HB PRO 37 1HB PRO 37 1.271 2.395 10.392 300 1HG PRO 37 2HG PRO 37 3.741 3.538 9.691 301 2HG PRO 37 1HG PRO 37 2.462 3.064 8.566 302 1HD PRO 37 2HD PRO 37 3.206 5.776 9.537 303 2HD PRO 37 1HD PRO 37 2.401 5.311 8.016 304 H ILE 38 HN ILE 38 -0.506 4.113 12.913 305 HA ILE 38 HA ILE 38 1.319 5.669 14.662 306 HB ILE 38 HB ILE 38 -0.899 6.797 15.504 307 1HG1 ILE 38 2HG1 ILE 38 -2.110 5.174 13.767 308 2HG1 ILE 38 1HG1 ILE 38 -2.738 6.784 14.107 309 1HG2 ILE 38 1HG2 ILE 38 0.451 7.495 12.882 310 2HG2 ILE 38 3HG2 ILE 38 -0.619 8.586 13.763 311 3HG2 ILE 38 2HG2 ILE 38 0.902 8.064 14.488 312 1HD1 ILE 38 2HD1 ILE 38 -0.678 6.669 11.987 313 2HD1 ILE 38 1HD1 ILE 38 -2.199 5.869 11.598 314 3HD1 ILE 38 3HD1 ILE 38 -2.190 7.575 12.041 315 HA PRO 39 HA PRO 39 -0.673 1.718 16.333 316 1HB PRO 39 2HB PRO 39 1.977 0.996 17.187 317 2HB PRO 39 1HB PRO 39 0.975 0.208 15.967 318 1HG PRO 39 2HG PRO 39 3.323 1.817 15.558 319 2HG PRO 39 1HG PRO 39 2.330 1.014 14.339 320 1HD PRO 39 2HD PRO 39 2.510 3.839 14.891 321 2HD PRO 39 1HD PRO 39 1.490 3.029 13.679 322 H GLY 40 HN GLY 40 -1.096 1.432 18.570 323 1HA GLY 40 1HA GLY 40 0.187 3.444 20.371 324 2HA GLY 40 2HA GLY 40 -0.126 1.794 20.906 325 H GLU 41 HN GLU 41 -2.706 1.637 19.500 326 HA GLU 41 HA GLU 41 -4.300 3.502 21.229 327 1HB GLU 41 2HB GLU 41 -4.272 2.933 18.377 328 2HB GLU 41 1HB GLU 41 -5.870 2.642 19.063 329 1HG GLU 41 2HG GLU 41 -6.246 4.852 19.318 330 2HG GLU 41 1HG GLU 41 -4.695 5.080 20.129 331 HA PRO 42 HA PRO 42 -5.088 -0.948 22.418 332 1HB PRO 42 2HB PRO 42 -5.379 0.061 25.097 333 2HB PRO 42 1HB PRO 42 -4.103 -0.978 24.457 334 1HG PRO 42 2HG PRO 42 -3.913 1.786 25.204 335 2HG PRO 42 1HG PRO 42 -2.641 0.751 24.551 336 1HD PRO 42 2HD PRO 42 -4.028 2.913 23.225 337 2HD PRO 42 1HD PRO 42 -2.730 1.885 22.575 338 H VAL 43 HN VAL 43 -7.197 -1.658 22.380 339 HA VAL 43 HA VAL 43 -9.365 -0.515 23.854 340 HB VAL 43 HB VAL 43 -9.021 1.379 22.355 341 1HG1 VAL 43 2HG1 VAL 43 -8.213 -0.579 20.545 342 2HG1 VAL 43 1HG1 VAL 43 -9.726 0.022 19.866 343 3HG1 VAL 43 3HG1 VAL 43 -8.402 1.139 20.194 344 1HG2 VAL 43 3HG2 VAL 43 -11.417 0.013 22.670 345 2HG2 VAL 43 2HG2 VAL 43 -11.246 1.650 22.034 346 3HG2 VAL 43 1HG2 VAL 43 -11.329 0.279 20.929 347 H VAL 44 HN VAL 44 -9.495 -2.907 24.071 348 HA VAL 44 HA VAL 44 -10.905 -4.157 21.736 349 HB VAL 44 HB VAL 44 -8.743 -5.195 23.578 350 1HG1 VAL 44 2HG1 VAL 44 -10.965 -6.641 22.368 351 2HG1 VAL 44 1HG1 VAL 44 -9.409 -7.234 21.788 352 3HG1 VAL 44 3HG1 VAL 44 -9.756 -7.212 23.517 353 1HG2 VAL 44 2HG2 VAL 44 -8.685 -4.029 21.060 354 2HG2 VAL 44 1HG2 VAL 44 -7.412 -5.032 21.754 355 3HG2 VAL 44 3HG2 VAL 44 -8.632 -5.756 20.706 356 HA PRO 45 HA PRO 45 -13.390 -4.258 25.736 357 1HB PRO 45 2HB PRO 45 -15.640 -3.485 24.117 358 2HB PRO 45 1HB PRO 45 -14.845 -2.555 25.390 359 1HG PRO 45 2HG PRO 45 -14.761 -2.089 22.562 360 2HG PRO 45 1HG PRO 45 -13.939 -1.180 23.832 361 1HD PRO 45 2HD PRO 45 -12.777 -2.996 21.898 362 2HD PRO 45 1HD PRO 45 -11.942 -2.037 23.143 363 H ILE 46 HN ILE 46 -14.911 -5.961 26.210 364 HA ILE 46 HA ILE 46 -14.793 -8.331 24.692 365 HB ILE 46 HB ILE 46 -16.499 -9.098 26.192 366 1HG1 ILE 46 2HG1 ILE 46 -17.229 -6.185 26.621 367 2HG1 ILE 46 1HG1 ILE 46 -18.140 -7.316 25.621 368 1HG2 ILE 46 2HG2 ILE 46 -14.312 -7.549 27.084 369 2HG2 ILE 46 1HG2 ILE 46 -15.677 -7.093 28.105 370 3HG2 ILE 46 3HG2 ILE 46 -15.185 -8.783 27.994 371 1HD1 ILE 46 1HD1 ILE 46 -18.098 -8.794 27.816 372 2HD1 ILE 46 3HD1 ILE 46 -17.840 -7.237 28.603 373 3HD1 ILE 46 2HD1 ILE 46 -19.289 -7.506 27.633 374 H LEU 47 HN LEU 47 -16.845 -5.524 24.281 375 HA LEU 47 HA LEU 47 -18.582 -6.958 22.332 376 1HB LEU 47 2HB LEU 47 -18.639 -4.115 23.399 377 2HB LEU 47 1HB LEU 47 -19.924 -4.911 22.490 378 HG LEU 47 HG LEU 47 -18.888 -5.724 25.222 379 1HD1 LEU 47 1HD1 LEU 47 -21.390 -4.367 24.223 380 2HD1 LEU 47 3HD1 LEU 47 -21.376 -5.244 25.752 381 3HD1 LEU 47 2HD1 LEU 47 -20.309 -3.860 25.521 382 1HD2 LEU 47 3HD2 LEU 47 -20.441 -7.143 23.164 383 2HD2 LEU 47 2HD2 LEU 47 -19.597 -7.783 24.574 384 3HD2 LEU 47 1HD2 LEU 47 -21.220 -7.115 24.745 385 H CYS 48 HN CYS 48 -15.607 -5.804 22.114 386 HA CYS 48 HA CYS 48 -14.309 -4.915 20.349 387 1HB CYS 48 2HB CYS 48 -16.794 -6.058 19.189 388 2HB CYS 48 1HB CYS 48 -15.883 -4.978 18.134 389 H SER 49 HN SER 49 -13.873 -2.752 20.277 390 HA SER 49 HA SER 49 -15.757 -0.686 20.782 391 1HB SER 49 2HB SER 49 -13.117 -0.599 19.292 392 2HB SER 49 1HB SER 49 -13.902 0.767 20.086 393 HG SER 49 HG SER 49 -13.644 -0.258 22.054 394 H ASN 50 HN ASN 50 -14.256 -1.607 17.663 395 HA ASN 50 HA ASN 50 -16.053 0.127 16.144 396 1HB ASN 50 2HB ASN 50 -13.854 -1.852 15.610 397 2HB ASN 50 1HB ASN 50 -14.832 -1.253 14.271 398 1HD2 ASN 50 1HD2 ASN 50 -13.625 0.373 13.271 399 2HD2 ASN 50 2HD2 ASN 50 -12.815 1.620 14.090 400 HA PRO 51 HA PRO 51 -19.266 -3.055 16.279 401 1HB PRO 51 2HB PRO 51 -20.762 -1.379 14.481 402 2HB PRO 51 1HB PRO 51 -21.032 -1.639 16.206 403 1HG PRO 51 2HG PRO 51 -19.975 0.704 14.902 404 2HG PRO 51 1HG PRO 51 -20.295 0.463 16.621 405 1HD PRO 51 2HD PRO 51 -17.736 0.614 15.326 406 2HD PRO 51 1HD PRO 51 -18.063 0.286 17.042 407 H ASN 52 HN ASN 52 -17.432 -1.794 13.657 408 HA ASN 52 HA ASN 52 -18.242 -4.131 11.974 409 1HB ASN 52 2HB ASN 52 -19.322 -1.868 11.390 410 2HB ASN 52 1HB ASN 52 -17.709 -1.356 10.896 411 1HD2 ASN 52 1HD2 ASN 52 -17.337 -1.684 8.705 412 2HD2 ASN 52 2HD2 ASN 52 -18.033 -2.917 7.766 413 H PHE 53 HN PHE 53 -15.918 -3.947 13.639 414 HA PHE 53 HA PHE 53 -13.630 -3.115 12.001 415 1HB PHE 53 2HB PHE 53 -12.434 -3.545 13.957 416 2HB PHE 53 1HB PHE 53 -14.043 -3.282 14.627 417 HD1 PHE 53 HD1 PHE 53 -15.586 -5.521 14.525 418 HD2 PHE 53 HD2 PHE 53 -11.294 -5.425 14.727 419 HE1 PHE 53 HE1 PHE 53 -15.576 -7.817 15.460 420 HE2 PHE 53 HE2 PHE 53 -11.287 -7.724 15.663 421 HZ PHE 53 HZ PHE 53 -13.428 -8.916 16.028 422 HA PRO 54 HA PRO 54 -12.517 -6.885 10.018 423 1HB PRO 54 2HB PRO 54 -10.293 -7.681 11.676 424 2HB PRO 54 1HB PRO 54 -10.244 -6.920 10.088 425 1HG PRO 54 2HG PRO 54 -9.616 -5.748 12.636 426 2HG PRO 54 1HG PRO 54 -9.566 -4.979 11.049 427 1HD PRO 54 2HD PRO 54 -11.449 -4.517 13.165 428 2HD PRO 54 1HD PRO 54 -11.436 -3.774 11.550 429 H GLU 55 HN GLU 55 -14.588 -7.645 11.157 430 HA GLU 55 HA GLU 55 -14.867 -9.042 13.511 431 1HB GLU 55 2HB GLU 55 -16.590 -8.612 11.761 432 2HB GLU 55 1HB GLU 55 -15.885 -9.907 10.786 433 1HG GLU 55 2HG GLU 55 -16.303 -11.504 12.646 434 2HG GLU 55 1HG GLU 55 -17.064 -10.207 13.567 435 H GLU 56 HN GLU 56 -13.254 -10.227 10.568 436 HA GLU 56 HA GLU 56 -12.930 -12.953 11.246 437 1HB GLU 56 2HB GLU 56 -11.044 -10.989 9.892 438 2HB GLU 56 1HB GLU 56 -10.890 -12.744 9.804 439 1HG GLU 56 2HG GLU 56 -13.178 -12.860 8.816 440 2HG GLU 56 1HG GLU 56 -13.244 -11.098 8.827 441 H LEU 57 HN LEU 57 -11.668 -10.120 12.714 442 HA LEU 57 HA LEU 57 -9.501 -11.556 14.157 443 1HB LEU 57 2HB LEU 57 -10.408 -8.683 13.842 444 2HB LEU 57 1HB LEU 57 -9.147 -9.144 14.987 445 HG LEU 57 HG LEU 57 -7.892 -10.203 13.124 446 1HD1 LEU 57 2HD1 LEU 57 -10.349 -9.407 11.661 447 2HD1 LEU 57 1HD1 LEU 57 -8.823 -9.198 10.805 448 3HD1 LEU 57 3HD1 LEU 57 -9.287 -10.788 11.407 449 1HD2 LEU 57 1HD2 LEU 57 -8.651 -7.293 12.743 450 2HD2 LEU 57 3HD2 LEU 57 -7.337 -7.911 13.742 451 3HD2 LEU 57 2HD2 LEU 57 -7.257 -8.061 11.987 452 H LYS 58 HN LYS 58 -12.645 -11.556 14.465 453 HA LYS 58 HA LYS 58 -13.621 -10.522 16.809 454 1HB LYS 58 2HB LYS 58 -14.068 -12.817 15.113 455 2HB LYS 58 1HB LYS 58 -14.387 -13.242 16.795 456 1HG LYS 58 2HG LYS 58 -15.433 -10.604 15.988 457 2HG LYS 58 1HG LYS 58 -16.179 -11.967 15.153 458 1HD LYS 58 2HD LYS 58 -15.844 -12.527 17.986 459 2HD LYS 58 1HD LYS 58 -16.786 -11.057 17.734 460 1HE LYS 58 2HE LYS 58 -18.580 -12.278 17.077 461 2HE LYS 58 1HE LYS 58 -17.604 -13.113 15.853 462 1HZ LYS 58 1HZ LYS 58 -16.606 -14.348 17.836 463 2HZ LYS 58 3HZ LYS 58 -17.940 -13.785 18.718 464 3HZ LYS 58 2HZ LYS 58 -18.180 -14.785 17.367 465 HA PRO 59 HA PRO 59 -11.681 -14.237 19.339 466 1HB PRO 59 2HB PRO 59 -9.225 -14.834 17.952 467 2HB PRO 59 1HB PRO 59 -10.582 -15.914 18.282 468 1HG PRO 59 2HG PRO 59 -9.826 -14.682 15.770 469 2HG PRO 59 1HG PRO 59 -11.092 -15.875 16.072 470 1HD PRO 59 2HD PRO 59 -11.462 -13.138 15.411 471 2HD PRO 59 1HD PRO 59 -12.720 -14.272 15.953 472 H LEU 60 HN LEU 60 -9.458 -12.145 17.448 473 HA LEU 60 HA LEU 60 -7.613 -11.591 19.541 474 1HB LEU 60 2HB LEU 60 -8.581 -9.871 17.232 475 2HB LEU 60 1HB LEU 60 -7.068 -9.645 18.111 476 HG LEU 60 HG LEU 60 -7.865 -11.948 16.320 477 1HD1 LEU 60 1HD1 LEU 60 -6.037 -9.650 16.213 478 2HD1 LEU 60 3HD1 LEU 60 -5.268 -11.177 15.782 479 3HD1 LEU 60 2HD1 LEU 60 -6.691 -10.627 14.898 480 1HD2 LEU 60 3HD2 LEU 60 -5.598 -11.789 18.327 481 2HD2 LEU 60 2HD2 LEU 60 -6.923 -12.954 18.319 482 3HD2 LEU 60 1HD2 LEU 60 -5.702 -12.998 17.046 483 H CYS 61 HN CYS 61 -10.758 -10.146 18.731 484 HA CYS 61 HA CYS 61 -10.583 -7.876 20.479 485 1HB CYS 61 2HB CYS 61 -12.177 -8.284 18.570 486 2HB CYS 61 1HB CYS 61 -13.013 -9.460 19.585 487 H LYS 62 HN LYS 62 -11.326 -11.263 21.027 488 HA LYS 62 HA LYS 62 -12.170 -10.642 23.833 489 1HB LYS 62 2HB LYS 62 -12.441 -13.098 22.065 490 2HB LYS 62 1HB LYS 62 -13.038 -12.991 23.720 491 1HG LYS 62 2HG LYS 62 -14.427 -11.020 23.033 492 2HG LYS 62 1HG LYS 62 -13.907 -11.284 21.369 493 1HD LYS 62 2HD LYS 62 -14.835 -13.607 21.503 494 2HD LYS 62 1HD LYS 62 -15.457 -13.226 23.108 495 1HE LYS 62 2HE LYS 62 -16.135 -11.431 20.782 496 2HE LYS 62 1HE LYS 62 -17.056 -12.922 21.055 497 1HZ LYS 62 3HZ LYS 62 -16.449 -11.161 23.333 498 2HZ LYS 62 2HZ LYS 62 -17.717 -10.731 22.288 499 3HZ LYS 62 1HZ LYS 62 -17.759 -12.215 23.114 500 H GLU 63 HN GLU 63 -9.370 -10.730 22.647 501 HA GLU 63 HA GLU 63 -8.234 -13.005 24.222 502 1HB GLU 63 2HB GLU 63 -7.781 -11.773 21.635 503 2HB GLU 63 1HB GLU 63 -6.296 -11.771 22.584 504 1HG GLU 63 2HG GLU 63 -6.952 -13.860 21.097 505 2HG GLU 63 1HG GLU 63 -6.179 -14.077 22.669 506 HA PRO 64 HA PRO 64 -6.656 -10.102 27.156 507 1HB PRO 64 2HB PRO 64 -4.358 -11.766 27.640 508 2HB PRO 64 1HB PRO 64 -5.818 -11.618 28.623 509 1HG PRO 64 2HG PRO 64 -5.017 -13.837 26.993 510 2HG PRO 64 1HG PRO 64 -6.490 -13.675 27.950 511 1HD PRO 64 2HD PRO 64 -6.215 -13.586 25.069 512 2HD PRO 64 1HD PRO 64 -7.707 -13.470 26.033 513 H ASN 65 HN ASN 65 -4.631 -11.501 24.611 514 HA ASN 65 HA ASN 65 -2.582 -9.394 24.850 515 1HB ASN 65 2HB ASN 65 -3.068 -11.617 22.840 516 2HB ASN 65 1HB ASN 65 -1.596 -10.651 22.951 517 1HD2 ASN 65 1HD2 ASN 65 -2.181 -13.646 23.508 518 2HD2 ASN 65 2HD2 ASN 65 -1.520 -13.904 25.050 519 H ALA 66 HN ALA 66 -5.643 -9.596 23.426 520 HA ALA 66 HA ALA 66 -5.518 -8.499 20.886 521 1HB ALA 66 2HB ALA 66 -7.477 -9.021 22.567 522 2HB ALA 66 3HB ALA 66 -7.715 -7.807 21.309 523 3HB ALA 66 1HB ALA 66 -7.342 -7.307 22.959 524 H GLN 67 HN GLN 67 -5.120 -6.746 23.970 525 HA GLN 67 HA GLN 67 -4.955 -4.104 22.986 526 1HB GLN 67 2HB GLN 67 -3.553 -5.561 25.246 527 2HB GLN 67 1HB GLN 67 -3.508 -3.808 25.056 528 1HG GLN 67 2HG GLN 67 -5.989 -3.755 25.131 529 2HG GLN 67 1HG GLN 67 -6.007 -5.502 25.372 530 1HE2 GLN 67 1HE2 GLN 67 -7.134 -3.832 27.354 531 2HE2 GLN 67 2HE2 GLN 67 -6.150 -3.859 28.736 532 H GLU 68 HN GLU 68 -2.397 -6.590 23.253 533 HA GLU 68 HA GLU 68 -0.351 -4.833 22.109 534 1HB GLU 68 2HB GLU 68 -0.493 -7.813 22.679 535 2HB GLU 68 1HB GLU 68 0.978 -6.944 22.242 536 1HG GLU 68 2HG GLU 68 0.731 -5.514 24.236 537 2HG GLU 68 1HG GLU 68 -0.749 -6.369 24.670 538 H ILE 69 HN ILE 69 -2.429 -7.491 20.980 539 HA ILE 69 HA ILE 69 -1.254 -7.843 18.393 540 HB ILE 69 HB ILE 69 -4.103 -8.189 19.386 541 1HG1 ILE 69 2HG1 ILE 69 -1.905 -10.257 19.145 542 2HG1 ILE 69 1HG1 ILE 69 -2.246 -9.390 20.642 543 1HG2 ILE 69 1HG2 ILE 69 -3.235 -8.284 16.781 544 2HG2 ILE 69 3HG2 ILE 69 -3.042 -9.963 17.284 545 3HG2 ILE 69 2HG2 ILE 69 -4.619 -9.182 17.407 546 1HD1 ILE 69 2HD1 ILE 69 -4.670 -10.472 19.426 547 2HD1 ILE 69 1HD1 ILE 69 -3.491 -11.733 19.786 548 3HD1 ILE 69 3HD1 ILE 69 -4.062 -10.667 21.070 549 H LEU 70 HN LEU 70 -4.059 -5.873 19.429 550 HA LEU 70 HA LEU 70 -4.840 -4.752 16.999 551 1HB LEU 70 2HB LEU 70 -6.028 -4.353 19.055 552 2HB LEU 70 1HB LEU 70 -4.616 -3.599 19.793 553 HG LEU 70 HG LEU 70 -6.499 -2.058 18.856 554 1HD1 LEU 70 3HD1 LEU 70 -3.859 -1.678 19.365 555 2HD1 LEU 70 2HD1 LEU 70 -3.914 -1.243 17.657 556 3HD1 LEU 70 1HD1 LEU 70 -4.935 -0.393 18.816 557 1HD2 LEU 70 3HD2 LEU 70 -6.506 -3.362 16.652 558 2HD2 LEU 70 2HD2 LEU 70 -6.448 -1.605 16.513 559 3HD2 LEU 70 1HD2 LEU 70 -4.980 -2.556 16.288 560 H GLN 71 HN GLN 71 -2.536 -3.160 19.257 561 HA GLN 71 HA GLN 71 -1.683 -1.054 17.657 562 1HB GLN 71 2HB GLN 71 -1.043 -1.553 20.010 563 2HB GLN 71 1HB GLN 71 0.003 -2.850 19.431 564 1HG GLN 71 2HG GLN 71 1.340 -1.234 18.158 565 2HG GLN 71 1HG GLN 71 0.267 0.073 18.659 566 1HE2 GLN 71 1HE2 GLN 71 2.870 0.464 19.379 567 2HE2 GLN 71 2HE2 GLN 71 3.114 0.149 21.029 568 H ARG 72 HN ARG 72 -0.132 -4.291 17.765 569 HA ARG 72 HA ARG 72 1.773 -3.889 15.726 570 1HB ARG 72 2HB ARG 72 0.174 -6.336 16.546 571 2HB ARG 72 1HB ARG 72 1.613 -6.395 15.529 572 1HG ARG 72 2HG ARG 72 2.870 -5.219 17.369 573 2HG ARG 72 1HG ARG 72 1.441 -5.397 18.386 574 1HD ARG 72 2HD ARG 72 3.107 -7.633 17.174 575 2HD ARG 72 1HD ARG 72 2.891 -7.265 18.895 576 HE ARG 72 HE ARG 72 0.536 -7.941 18.678 577 1HH1 ARG 72 1HH1 ARG 72 2.261 -8.099 15.711 578 2HH1 ARG 72 2HH1 ARG 72 1.341 -9.426 15.088 579 1HH2 ARG 72 1HH2 ARG 72 -0.538 -9.829 17.970 580 2HH2 ARG 72 2HH2 ARG 72 -0.242 -10.404 16.363 581 H LEU 73 HN LEU 73 -1.502 -5.316 15.376 582 HA LEU 73 HA LEU 73 -1.565 -5.695 12.607 583 1HB LEU 73 2HB LEU 73 -3.689 -4.714 14.538 584 2HB LEU 73 1HB LEU 73 -4.039 -5.311 12.916 585 HG LEU 73 HG LEU 73 -2.669 -6.872 15.129 586 1HD1 LEU 73 1HD1 LEU 73 -5.430 -7.014 13.889 587 2HD1 LEU 73 3HD1 LEU 73 -4.751 -8.295 14.895 588 3HD1 LEU 73 2HD1 LEU 73 -5.030 -6.693 15.576 589 1HD2 LEU 73 2HD2 LEU 73 -2.625 -7.175 12.278 590 2HD2 LEU 73 1HD2 LEU 73 -1.908 -8.224 13.500 591 3HD2 LEU 73 3HD2 LEU 73 -3.566 -8.499 12.968 592 H GLU 74 HN GLU 74 -2.563 -2.721 14.352 593 HA GLU 74 HA GLU 74 -3.201 -1.099 12.152 594 1HB GLU 74 2HB GLU 74 -1.766 -0.370 14.726 595 2HB GLU 74 1HB GLU 74 -2.672 0.747 13.706 596 1HG GLU 74 2HG GLU 74 -4.700 -0.716 14.051 597 2HG GLU 74 1HG GLU 74 -3.765 -1.630 15.235 598 H GLU 75 HN GLU 75 0.013 -1.559 13.677 599 HA GLU 75 HA GLU 75 1.459 0.226 11.989 600 1HB GLU 75 2HB GLU 75 2.141 -0.826 14.177 601 2HB GLU 75 1HB GLU 75 2.396 -2.339 13.307 602 1HG GLU 75 2HG GLU 75 4.017 -1.168 11.816 603 2HG GLU 75 1HG GLU 75 3.809 0.293 12.780 604 H ILE 76 HN ILE 76 1.200 -3.353 11.783 605 HA ILE 76 HA ILE 76 2.588 -3.585 9.285 606 HB ILE 76 HB ILE 76 0.464 -5.341 10.562 607 1HG1 ILE 76 2HG1 ILE 76 2.237 -4.935 12.149 608 2HG1 ILE 76 1HG1 ILE 76 2.497 -6.542 11.468 609 1HG2 ILE 76 1HG2 ILE 76 1.873 -5.548 8.090 610 2HG2 ILE 76 3HG2 ILE 76 2.527 -6.769 9.181 611 3HG2 ILE 76 2HG2 ILE 76 0.799 -6.735 8.829 612 1HD1 ILE 76 3HD1 ILE 76 4.054 -5.457 9.783 613 2HD1 ILE 76 2HD1 ILE 76 3.924 -3.973 10.728 614 3HD1 ILE 76 1HD1 ILE 76 4.628 -5.421 11.449 615 H ALA 77 HN ALA 77 -0.886 -3.375 10.062 616 HA ALA 77 HA ALA 77 -1.951 -3.731 7.467 617 1HB ALA 77 2HB ALA 77 -3.480 -3.670 9.237 618 2HB ALA 77 1HB ALA 77 -2.734 -2.243 9.958 619 3HB ALA 77 3HB ALA 77 -3.730 -2.082 8.511 620 H GLU 78 HN GLU 78 -0.622 -0.821 9.009 621 HA GLU 78 HA GLU 78 -1.365 1.059 6.982 622 1HB GLU 78 2HB GLU 78 0.832 0.906 9.056 623 2HB GLU 78 1HB GLU 78 0.578 2.336 8.055 624 1HG GLU 78 2HG GLU 78 -1.693 1.101 9.612 625 2HG GLU 78 1HG GLU 78 -0.595 2.258 10.366 626 H ASP 79 HN ASP 79 1.499 -1.049 7.311 627 HA ASP 79 HA ASP 79 2.224 -0.289 4.503 628 1HB ASP 79 2HB ASP 79 3.545 0.470 6.839 629 2HB ASP 79 1HB ASP 79 4.492 -0.893 6.243 630 HA PRO 80 HA PRO 80 2.426 -4.620 3.743 631 1HB PRO 80 2HB PRO 80 4.702 -4.327 2.008 632 2HB PRO 80 1HB PRO 80 3.006 -4.510 1.555 633 1HG PRO 80 2HG PRO 80 4.642 -2.149 1.382 634 2HG PRO 80 1HG PRO 80 2.951 -2.337 0.909 635 1HD PRO 80 2HD PRO 80 3.999 -0.889 3.169 636 2HD PRO 80 1HD PRO 80 2.294 -1.106 2.711 637 H GLY 81 HN GLY 81 5.815 -3.448 3.564 638 1HA GLY 81 1HA GLY 81 6.511 -4.850 6.042 639 2HA GLY 81 2HA GLY 81 7.627 -3.958 5.005 640 H THR 82 HN THR 82 7.562 -6.828 6.164 641 HA THR 82 HA THR 82 8.728 -8.103 3.799 642 HB THR 82 HB THR 82 9.218 -9.880 5.432 643 HG1 THR 82 1HG THR 82 8.432 -9.368 7.638 644 1HG2 THR 82 2HG2 THR 82 9.944 -7.125 5.687 645 2HG2 THR 82 1HG2 THR 82 9.819 -7.820 7.302 646 3HG2 THR 82 3HG2 THR 82 10.894 -8.550 6.109 647 H CYS 83 HN CYS 83 5.652 -8.108 5.441 648 HA CYS 83 HA CYS 83 4.575 -10.619 4.750 649 1HB CYS 83 2HB CYS 83 3.603 -8.695 6.128 650 2HB CYS 83 1HB CYS 83 3.120 -7.965 4.597 651 H GLU 84 HN GLU 84 4.375 -7.592 2.839 652 HA GLU 84 HA GLU 84 3.112 -8.668 0.548 653 1HB GLU 84 2HB GLU 84 3.471 -6.269 1.133 654 2HB GLU 84 1HB GLU 84 5.180 -6.458 0.743 655 1HG GLU 84 2HG GLU 84 4.530 -7.167 -1.564 656 2HG GLU 84 1HG GLU 84 2.846 -6.839 -1.158 657 H ILE 85 HN ILE 85 6.547 -8.692 1.471 658 HA ILE 85 HA ILE 85 7.249 -9.913 -1.153 659 HB ILE 85 HB ILE 85 9.506 -9.355 -0.521 660 1HG1 ILE 85 2HG1 ILE 85 8.319 -9.011 2.240 661 2HG1 ILE 85 1HG1 ILE 85 9.589 -10.130 1.745 662 1HG2 ILE 85 2HG2 ILE 85 7.384 -7.453 -0.501 663 2HG2 ILE 85 1HG2 ILE 85 8.549 -6.956 0.726 664 3HG2 ILE 85 3HG2 ILE 85 9.071 -7.188 -0.942 665 1HD1 ILE 85 1HD1 ILE 85 10.638 -7.710 0.973 666 2HD1 ILE 85 3HD1 ILE 85 9.766 -7.272 2.442 667 3HD1 ILE 85 2HD1 ILE 85 11.011 -8.521 2.493 668 H CYS 86 HN CYS 86 5.920 -11.139 1.483 669 HA CYS 86 HA CYS 86 5.970 -13.253 2.537 670 1HB CYS 86 2HB CYS 86 6.548 -13.467 -0.216 671 2HB CYS 86 1HB CYS 86 7.695 -14.535 0.594 672 H ALA 87 HN ALA 87 8.444 -11.260 2.648 673 HA ALA 87 HA ALA 87 10.796 -12.820 3.084 674 1HB ALA 87 3HB ALA 87 11.037 -10.649 4.740 675 2HB ALA 87 1HB ALA 87 9.752 -10.113 3.658 676 3HB ALA 87 2HB ALA 87 11.315 -10.595 2.999 677 H TYR 88 HN TYR 88 7.900 -12.554 4.914 678 HA TYR 88 HA TYR 88 9.136 -14.154 7.104 679 1HB TYR 88 2HB TYR 88 7.851 -11.445 7.242 680 2HB TYR 88 1HB TYR 88 7.649 -12.547 8.604 681 HD1 TYR 88 HD1 TYR 88 10.237 -10.999 6.401 682 HD2 TYR 88 HD2 TYR 88 9.380 -12.839 10.185 683 HE1 TYR 88 HE1 TYR 88 12.519 -10.436 7.189 684 HE2 TYR 88 HE2 TYR 88 11.663 -12.278 10.975 685 HH TYR 88 HH TYR 88 13.849 -11.760 10.061 686 H ALA 89 HN ALA 89 7.255 -14.906 8.622 687 HA ALA 89 HA ALA 89 5.245 -16.222 6.974 688 1HB ALA 89 1HB ALA 89 6.532 -16.686 9.348 689 2HB ALA 89 3HB ALA 89 4.945 -16.167 9.913 690 3HB ALA 89 2HB ALA 89 5.086 -17.549 8.825 691 H ALA 90 HN ALA 90 5.388 -13.093 8.009 692 HA ALA 90 HA ALA 90 2.881 -12.559 9.239 693 1HB ALA 90 3HB ALA 90 4.503 -10.900 7.281 694 2HB ALA 90 2HB ALA 90 3.312 -10.274 8.421 695 3HB ALA 90 1HB ALA 90 4.803 -11.004 9.016 696 H CYS 91 HN CYS 91 3.751 -12.906 5.804 697 HA CYS 91 HA CYS 91 0.897 -12.442 5.052 698 1HB CYS 91 2HB CYS 91 3.514 -11.886 3.947 699 2HB CYS 91 1HB CYS 91 2.536 -12.780 2.784 700 H THR 92 HN THR 92 -0.333 -14.231 4.668 701 HA THR 92 HA THR 92 1.043 -16.826 4.108 702 HB THR 92 HB THR 92 -0.942 -17.812 5.050 703 HG1 THR 92 1HG THR 92 -2.399 -16.374 3.978 704 1HG2 THR 92 3HG2 THR 92 0.507 -15.710 6.408 705 2HG2 THR 92 2HG2 THR 92 -1.142 -15.816 7.026 706 3HG2 THR 92 1HG2 THR 92 -0.097 -17.237 7.053 707 H GLY 93 HN GLY 93 0.013 -18.235 2.467 708 1HA GLY 93 1HA GLY 93 -1.697 -16.811 0.490 709 2HA GLY 93 2HA GLY 93 -1.476 -18.559 0.572 710 H CYS 94 HN CYS 94 1.515 -17.379 1.061 711 HA CYS 94 HA CYS 94 2.158 -17.239 -1.868 712 1HB CYS 94 2HB CYS 94 4.105 -15.886 -1.093 713 2HB CYS 94 1HB CYS 94 2.568 -15.171 -0.609 No H/Q in entry = 713 Start of MODEL 17 1 H1 VAL 1 2H VAL 1 -3.255 -11.880 -0.364 2 H2 VAL 1 1H VAL 1 -1.938 -12.423 -1.290 3 H3 VAL 1 3H VAL 1 -2.681 -13.470 -0.182 4 HA VAL 1 HA VAL 1 -0.849 -12.840 1.034 5 HB VAL 1 HB VAL 1 -0.257 -11.315 -0.921 6 1HG1 VAL 1 2HG1 VAL 1 -2.466 -9.956 -0.385 7 2HG1 VAL 1 1HG1 VAL 1 -1.399 -9.071 0.705 8 3HG1 VAL 1 3HG1 VAL 1 -1.043 -9.130 -1.020 9 1HG2 VAL 1 3HG2 VAL 1 0.661 -11.362 1.713 10 2HG2 VAL 1 2HG2 VAL 1 1.493 -10.642 0.335 11 3HG2 VAL 1 1HG2 VAL 1 0.460 -9.646 1.359 12 H THR 2 HN THR 2 -1.819 -12.981 3.045 13 HA THR 2 HA THR 2 -3.409 -10.605 3.962 14 HB THR 2 HB THR 2 -3.868 -13.551 4.529 15 HG1 THR 2 1HG THR 2 -4.387 -12.364 2.384 16 1HG2 THR 2 2HG2 THR 2 -5.127 -11.009 5.498 17 2HG2 THR 2 1HG2 THR 2 -6.132 -12.445 5.305 18 3HG2 THR 2 3HG2 THR 2 -4.746 -12.479 6.395 19 H VAL 3 HN VAL 3 -3.238 -10.153 6.235 20 HA VAL 3 HA VAL 3 -0.636 -10.881 7.406 21 HB VAL 3 HB VAL 3 -2.948 -9.073 8.145 22 1HG1 VAL 3 2HG1 VAL 3 -0.401 -9.644 9.686 23 2HG1 VAL 3 1HG1 VAL 3 -1.444 -8.255 9.991 24 3HG1 VAL 3 3HG1 VAL 3 -2.055 -9.890 10.246 25 1HG2 VAL 3 1HG2 VAL 3 -0.938 -8.709 6.362 26 2HG2 VAL 3 3HG2 VAL 3 -1.663 -7.387 7.277 27 3HG2 VAL 3 2HG2 VAL 3 -0.156 -8.117 7.827 28 H GLN 4 HN GLN 4 -0.469 -12.762 8.572 29 HA GLN 4 HA GLN 4 -2.900 -13.741 10.024 30 1HB GLN 4 2HB GLN 4 -2.005 -15.186 8.243 31 2HB GLN 4 1HB GLN 4 -0.417 -15.164 9.011 32 1HG GLN 4 2HG GLN 4 -1.438 -16.182 11.052 33 2HG GLN 4 1HG GLN 4 -2.974 -16.293 10.193 34 1HE2 GLN 4 1HE2 GLN 4 -3.299 -18.203 9.041 35 2HE2 GLN 4 2HE2 GLN 4 -2.071 -19.279 8.575 36 H ASP 5 HN ASP 5 -2.807 -13.706 12.222 37 HA ASP 5 HA ASP 5 -0.125 -13.374 13.527 38 1HB ASP 5 2HB ASP 5 -2.927 -12.433 14.188 39 2HB ASP 5 1HB ASP 5 -1.609 -12.354 15.358 40 H GLY 6 HN GLY 6 -2.164 -15.757 12.823 41 1HA GLY 6 1HA GLY 6 -2.984 -16.971 15.236 42 2HA GLY 6 2HA GLY 6 -1.324 -17.489 14.943 43 H ASN 7 HN ASN 7 -3.995 -18.949 14.776 44 HA ASN 7 HA ASN 7 -3.380 -20.429 12.315 45 1HB ASN 7 2HB ASN 7 -5.550 -20.683 14.427 46 2HB ASN 7 1HB ASN 7 -5.201 -21.887 13.186 47 1HD2 ASN 7 1HD2 ASN 7 -4.847 -21.830 16.292 48 2HD2 ASN 7 2HD2 ASN 7 -3.255 -22.376 16.511 49 H PHE 8 HN PHE 8 -4.900 -17.576 12.704 50 HA PHE 8 HA PHE 8 -6.973 -18.189 10.621 51 1HB PHE 8 2HB PHE 8 -6.996 -16.119 12.842 52 2HB PHE 8 1HB PHE 8 -8.308 -16.429 11.706 53 HD1 PHE 8 HD1 PHE 8 -6.446 -17.722 14.610 54 HD2 PHE 8 HD2 PHE 8 -9.666 -18.454 11.863 55 HE1 PHE 8 HE1 PHE 8 -7.294 -19.527 16.085 56 HE2 PHE 8 HE2 PHE 8 -10.512 -20.260 13.337 57 HZ PHE 8 HZ PHE 8 -9.326 -20.797 15.449 58 H SER 9 HN SER 9 -7.100 -16.713 8.887 59 HA SER 9 HA SER 9 -4.740 -14.967 8.514 60 1HB SER 9 2HB SER 9 -7.065 -15.749 6.724 61 2HB SER 9 1HB SER 9 -5.618 -14.890 6.194 62 HG SER 9 HG SER 9 -5.250 -17.018 5.795 63 H PHE 10 HN PHE 10 -4.862 -12.814 8.989 64 HA PHE 10 HA PHE 10 -7.570 -11.538 9.148 65 1HB PHE 10 2HB PHE 10 -4.897 -10.922 10.448 66 2HB PHE 10 1HB PHE 10 -6.346 -9.940 10.657 67 HD1 PHE 10 HD1 PHE 10 -8.358 -12.253 10.631 68 HD2 PHE 10 HD2 PHE 10 -4.647 -11.682 12.717 69 HE1 PHE 10 HE1 PHE 10 -9.134 -13.773 12.428 70 HE2 PHE 10 HE2 PHE 10 -5.425 -13.200 14.516 71 HZ PHE 10 HZ PHE 10 -7.669 -14.245 14.373 72 H SER 11 HN SER 11 -8.012 -10.125 7.507 73 HA SER 11 HA SER 11 -6.160 -9.382 5.466 74 1HB SER 11 2HB SER 11 -8.757 -8.117 6.403 75 2HB SER 11 1HB SER 11 -7.996 -7.820 4.840 76 HG SER 11 HG SER 11 -9.399 -10.013 5.750 77 H LEU 12 HN LEU 12 -5.235 -7.254 5.036 78 HA LEU 12 HA LEU 12 -4.466 -5.814 7.528 79 1HB LEU 12 2HB LEU 12 -2.757 -6.708 5.960 80 2HB LEU 12 1HB LEU 12 -3.424 -5.700 4.677 81 HG LEU 12 HG LEU 12 -2.972 -3.688 6.125 82 1HD1 LEU 12 3HD1 LEU 12 -2.268 -5.828 7.979 83 2HD1 LEU 12 2HD1 LEU 12 -0.964 -4.653 7.806 84 3HD1 LEU 12 1HD1 LEU 12 -2.570 -4.122 8.306 85 1HD2 LEU 12 3HD2 LEU 12 -0.879 -5.502 5.011 86 2HD2 LEU 12 2HD2 LEU 12 -1.316 -3.862 4.528 87 3HD2 LEU 12 1HD2 LEU 12 -0.332 -4.125 5.969 88 H GLU 13 HN GLU 13 -6.383 -5.423 4.650 89 HA GLU 13 HA GLU 13 -6.391 -2.577 4.404 90 1HB GLU 13 2HB GLU 13 -8.523 -4.665 3.846 91 2HB GLU 13 1HB GLU 13 -8.540 -3.018 3.214 92 1HG GLU 13 2HG GLU 13 -6.341 -3.451 2.123 93 2HG GLU 13 1HG GLU 13 -6.412 -5.117 2.695 94 H SER 14 HN SER 14 -9.030 -4.556 5.813 95 HA SER 14 HA SER 14 -10.520 -2.562 7.033 96 1HB SER 14 2HB SER 14 -9.846 -5.204 8.340 97 2HB SER 14 1HB SER 14 -11.371 -4.321 8.413 98 HG SER 14 HG SER 14 -11.607 -4.690 6.177 99 H VAL 15 HN VAL 15 -7.740 -4.272 8.543 100 HA VAL 15 HA VAL 15 -7.802 -2.849 11.010 101 HB VAL 15 HB VAL 15 -5.422 -3.642 11.135 102 1HG1 VAL 15 3HG1 VAL 15 -7.714 -5.050 11.297 103 2HG1 VAL 15 2HG1 VAL 15 -6.946 -5.915 9.962 104 3HG1 VAL 15 1HG1 VAL 15 -6.129 -5.795 11.523 105 1HG2 VAL 15 3HG2 VAL 15 -6.004 -4.527 8.295 106 2HG2 VAL 15 2HG2 VAL 15 -4.805 -3.332 8.786 107 3HG2 VAL 15 1HG2 VAL 15 -4.600 -5.023 9.238 108 H LYS 16 HN LYS 16 -5.988 -2.171 7.994 109 HA LYS 16 HA LYS 16 -4.598 0.145 8.901 110 1HB LYS 16 2HB LYS 16 -4.372 -1.207 6.731 111 2HB LYS 16 1HB LYS 16 -5.772 -0.313 6.141 112 1HG LYS 16 2HG LYS 16 -3.476 1.220 7.307 113 2HG LYS 16 1HG LYS 16 -3.318 0.572 5.674 114 1HD LYS 16 2HD LYS 16 -5.689 2.232 6.569 115 2HD LYS 16 1HD LYS 16 -4.257 2.930 5.812 116 1HE LYS 16 2HE LYS 16 -4.648 1.779 3.763 117 2HE LYS 16 1HE LYS 16 -5.799 0.662 4.521 118 1HZ LYS 16 1HZ LYS 16 -6.223 3.591 4.578 119 2HZ LYS 16 3HZ LYS 16 -6.743 2.667 3.254 120 3HZ LYS 16 2HZ LYS 16 -7.363 2.353 4.805 121 H LYS 17 HN LYS 17 -7.673 -0.041 7.061 122 HA LYS 17 HA LYS 17 -8.311 2.763 7.634 123 1HB LYS 17 2HB LYS 17 -8.878 1.512 5.527 124 2HB LYS 17 1HB LYS 17 -9.974 0.502 6.469 125 1HG LYS 17 2HG LYS 17 -11.268 2.496 7.116 126 2HG LYS 17 1HG LYS 17 -10.161 3.519 6.201 127 1HD LYS 17 2HD LYS 17 -12.147 3.072 4.852 128 2HD LYS 17 1HD LYS 17 -10.760 2.250 4.136 129 1HE LYS 17 2HE LYS 17 -11.679 0.195 4.490 130 2HE LYS 17 1HE LYS 17 -12.174 0.618 6.140 131 1HZ LYS 17 2HZ LYS 17 -13.894 2.085 5.073 132 2HZ LYS 17 1HZ LYS 17 -13.525 1.335 3.594 133 3HZ LYS 17 3HZ LYS 17 -14.156 0.418 4.873 134 H LEU 18 HN LEU 18 -8.211 0.207 9.607 135 HA LEU 18 HA LEU 18 -10.705 -0.192 10.816 136 1HB LEU 18 2HB LEU 18 -8.510 -1.325 11.252 137 2HB LEU 18 1HB LEU 18 -7.989 0.105 12.143 138 HG LEU 18 HG LEU 18 -9.569 -0.247 13.861 139 1HD1 LEU 18 1HD1 LEU 18 -10.940 -2.177 11.962 140 2HD1 LEU 18 3HD1 LEU 18 -11.433 -1.892 13.632 141 3HD1 LEU 18 2HD1 LEU 18 -11.536 -0.590 12.447 142 1HD2 LEU 18 1HD2 LEU 18 -7.704 -2.019 13.625 143 2HD2 LEU 18 3HD2 LEU 18 -9.068 -2.430 14.665 144 3HD2 LEU 18 2HD2 LEU 18 -8.971 -3.096 13.036 145 H LYS 19 HN LYS 19 -8.385 2.479 11.302 146 HA LYS 19 HA LYS 19 -9.644 3.748 13.509 147 1HB LYS 19 2HB LYS 19 -7.425 4.296 12.489 148 2HB LYS 19 1HB LYS 19 -8.267 5.003 11.110 149 1HG LYS 19 2HG LYS 19 -9.430 6.565 12.684 150 2HG LYS 19 1HG LYS 19 -8.452 5.913 13.998 151 1HD LYS 19 2HD LYS 19 -6.397 6.594 12.770 152 2HD LYS 19 1HD LYS 19 -7.408 7.308 11.514 153 1HE LYS 19 2HE LYS 19 -8.116 9.054 12.894 154 2HE LYS 19 1HE LYS 19 -7.845 8.122 14.379 155 1HZ LYS 19 1HZ LYS 19 -5.440 8.135 13.807 156 2HZ LYS 19 3HZ LYS 19 -5.777 9.205 12.536 157 3HZ LYS 19 2HZ LYS 19 -6.059 9.681 14.142 158 H ASP 20 HN ASP 20 -10.213 4.159 10.005 159 HA ASP 20 HA ASP 20 -12.609 5.833 10.579 160 1HB ASP 20 2HB ASP 20 -10.875 6.515 8.915 161 2HB ASP 20 1HB ASP 20 -11.231 5.060 7.985 162 H LEU 21 HN LEU 21 -14.481 4.666 10.860 163 HA LEU 21 HA LEU 21 -14.761 2.017 9.535 164 1HB LEU 21 2HB LEU 21 -15.158 2.418 11.995 165 2HB LEU 21 1HB LEU 21 -16.533 3.431 11.551 166 HG LEU 21 HG LEU 21 -17.481 1.472 10.291 167 1HD1 LEU 21 1HD1 LEU 21 -14.887 0.444 10.737 168 2HD1 LEU 21 3HD1 LEU 21 -15.977 -0.550 11.705 169 3HD1 LEU 21 2HD1 LEU 21 -16.243 -0.382 9.969 170 1HD2 LEU 21 3HD2 LEU 21 -17.877 2.100 12.812 171 2HD2 LEU 21 2HD2 LEU 21 -18.477 0.560 12.199 172 3HD2 LEU 21 1HD2 LEU 21 -16.980 0.616 13.128 173 H GLN 22 HN GLN 22 -16.078 1.759 7.773 174 HA GLN 22 HA GLN 22 -18.036 3.945 7.136 175 1HB GLN 22 2HB GLN 22 -16.198 2.319 5.349 176 2HB GLN 22 1HB GLN 22 -17.449 3.403 4.741 177 1HG GLN 22 2HG GLN 22 -16.385 5.286 5.958 178 2HG GLN 22 1HG GLN 22 -15.115 4.194 6.512 179 1HE2 GLN 22 1HE2 GLN 22 -14.424 6.433 4.918 180 2HE2 GLN 22 2HE2 GLN 22 -13.924 5.894 3.388 181 H GLU 23 HN GLU 23 -20.047 3.222 6.275 182 HA GLU 23 HA GLU 23 -21.141 0.803 7.155 183 1HB GLU 23 2HB GLU 23 -22.747 2.279 6.449 184 2HB GLU 23 1HB GLU 23 -21.753 2.884 5.126 185 1HG GLU 23 2HG GLU 23 -22.310 1.034 3.729 186 2HG GLU 23 1HG GLU 23 -22.972 0.116 5.082 187 HA PRO 24 HA PRO 24 -20.284 -1.067 2.737 188 1HB PRO 24 2HB PRO 24 -18.020 0.364 1.687 189 2HB PRO 24 1HB PRO 24 -19.649 0.257 1.014 190 1HG PRO 24 2HG PRO 24 -18.403 2.514 2.291 191 2HG PRO 24 1HG PRO 24 -20.022 2.415 1.595 192 1HD PRO 24 2HD PRO 24 -19.309 2.547 4.380 193 2HD PRO 24 1HD PRO 24 -20.937 2.406 3.679 194 H GLN 25 HN GLN 25 -19.196 -2.936 3.223 195 HA GLN 25 HA GLN 25 -17.042 -3.097 5.101 196 1HB GLN 25 2HB GLN 25 -18.698 -4.875 4.497 197 2HB GLN 25 1HB GLN 25 -17.898 -5.039 2.934 198 1HG GLN 25 2HG GLN 25 -15.803 -5.662 4.048 199 2HG GLN 25 1HG GLN 25 -16.558 -5.441 5.626 200 1HE2 GLN 25 1HE2 GLN 25 -15.552 -7.963 5.166 201 2HE2 GLN 25 2HE2 GLN 25 -16.802 -9.066 4.855 202 H GLU 26 HN GLU 26 -17.106 -3.146 1.549 203 HA GLU 26 HA GLU 26 -14.569 -1.924 1.188 204 1HB GLU 26 2HB GLU 26 -14.451 -4.562 2.194 205 2HB GLU 26 1HB GLU 26 -13.991 -4.679 0.496 206 1HG GLU 26 2HG GLU 26 -12.564 -2.503 1.148 207 2HG GLU 26 1HG GLU 26 -12.630 -3.260 2.739 208 HA PRO 27 HA PRO 27 -17.364 -2.689 -2.479 209 1HB PRO 27 2HB PRO 27 -16.890 0.070 -3.133 210 2HB PRO 27 1HB PRO 27 -18.398 -0.679 -2.605 211 1HG PRO 27 2HG PRO 27 -16.706 1.098 -1.121 212 2HG PRO 27 1HG PRO 27 -18.200 0.327 -0.584 213 1HD PRO 27 2HD PRO 27 -15.488 -0.278 0.230 214 2HD PRO 27 1HD PRO 27 -16.997 -1.025 0.803 215 H ARG 28 HN ARG 28 -14.270 -1.038 -2.058 216 HA ARG 28 HA ARG 28 -13.370 -2.192 -4.669 217 1HB ARG 28 2HB ARG 28 -13.032 0.634 -3.617 218 2HB ARG 28 1HB ARG 28 -12.200 0.008 -5.041 219 1HG ARG 28 2HG ARG 28 -14.427 -0.525 -6.048 220 2HG ARG 28 1HG ARG 28 -15.202 0.233 -4.658 221 1HD ARG 28 2HD ARG 28 -13.336 1.592 -6.640 222 2HD ARG 28 1HD ARG 28 -15.074 1.887 -6.446 223 HE ARG 28 HE ARG 28 -13.983 2.234 -3.892 224 1HH1 ARG 28 1HH1 ARG 28 -11.993 3.204 -6.269 225 2HH1 ARG 28 2HH1 ARG 28 -12.180 4.911 -6.043 226 1HH2 ARG 28 1HH2 ARG 28 -14.903 4.597 -3.918 227 2HH2 ARG 28 2HH2 ARG 28 -13.828 5.700 -4.712 228 H VAL 29 HN VAL 29 -11.002 -2.432 -4.775 229 HA VAL 29 HA VAL 29 -9.749 -2.624 -2.054 230 HB VAL 29 HB VAL 29 -9.266 -4.235 -4.582 231 1HG1 VAL 29 2HG1 VAL 29 -8.215 -4.451 -1.750 232 2HG1 VAL 29 1HG1 VAL 29 -8.085 -5.755 -2.930 233 3HG1 VAL 29 3HG1 VAL 29 -7.278 -4.215 -3.226 234 1HG2 VAL 29 3HG2 VAL 29 -11.311 -4.395 -2.554 235 2HG2 VAL 29 2HG2 VAL 29 -11.094 -5.405 -3.983 236 3HG2 VAL 29 1HG2 VAL 29 -10.284 -5.827 -2.474 237 H GLY 30 HN GLY 30 -7.879 -1.454 -1.772 238 1HA GLY 30 1HA GLY 30 -6.472 0.395 -2.436 239 2HA GLY 30 2HA GLY 30 -6.801 0.004 -4.123 240 H LYS 31 HN LYS 31 -4.762 -0.398 -4.928 241 HA LYS 31 HA LYS 31 -3.450 -2.872 -4.431 242 1HB LYS 31 2HB LYS 31 -2.452 -0.238 -5.566 243 2HB LYS 31 1HB LYS 31 -1.629 -1.785 -5.759 244 1HG LYS 31 2HG LYS 31 -3.745 -2.682 -6.810 245 2HG LYS 31 1HG LYS 31 -4.385 -1.039 -6.779 246 1HD LYS 31 2HD LYS 31 -1.780 -1.818 -8.121 247 2HD LYS 31 1HD LYS 31 -3.317 -1.659 -8.969 248 1HE LYS 31 2HE LYS 31 -3.191 0.718 -7.570 249 2HE LYS 31 1HE LYS 31 -1.495 0.444 -8.008 250 1HZ LYS 31 3HZ LYS 31 -3.688 0.008 -9.949 251 2HZ LYS 31 2HZ LYS 31 -2.997 1.546 -9.744 252 3HZ LYS 31 1HZ LYS 31 -2.037 0.241 -10.259 253 H LEU 32 HN LEU 32 -2.854 0.385 -3.116 254 HA LEU 32 HA LEU 32 -0.896 -0.837 -1.196 255 1HB LEU 32 2HB LEU 32 -1.087 2.012 -2.223 256 2HB LEU 32 1HB LEU 32 0.213 1.336 -1.242 257 HG LEU 32 HG LEU 32 -0.534 0.504 -4.063 258 1HD1 LEU 32 3HD1 LEU 32 1.873 1.919 -2.880 259 2HD1 LEU 32 2HD1 LEU 32 1.800 1.308 -4.533 260 3HD1 LEU 32 1HD1 LEU 32 0.705 2.592 -4.018 261 1HD2 LEU 32 2HD2 LEU 32 1.159 -0.737 -1.948 262 2HD2 LEU 32 1HD2 LEU 32 0.250 -1.501 -3.252 263 3HD2 LEU 32 3HD2 LEU 32 1.803 -0.738 -3.590 264 H ARG 33 HN ARG 33 -1.338 -0.538 0.979 265 HA ARG 33 HA ARG 33 -3.613 1.292 1.680 266 1HB ARG 33 2HB ARG 33 -2.834 -1.377 2.903 267 2HB ARG 33 1HB ARG 33 -4.248 -0.413 3.330 268 1HG ARG 33 2HG ARG 33 -3.696 -1.592 0.589 269 2HG ARG 33 1HG ARG 33 -4.835 -2.244 1.767 270 1HD ARG 33 2HD ARG 33 -4.996 0.569 0.626 271 2HD ARG 33 1HD ARG 33 -5.963 -0.802 0.054 272 HE ARG 33 HE ARG 33 -6.093 -0.487 2.947 273 1HH1 ARG 33 1HH1 ARG 33 -6.836 2.141 1.428 274 2HH1 ARG 33 2HH1 ARG 33 -8.560 1.983 1.396 275 1HH2 ARG 33 1HH2 ARG 33 -8.536 -1.374 2.259 276 2HH2 ARG 33 2HH2 ARG 33 -9.523 -0.005 1.866 277 H ASN 34 HN ASN 34 -3.124 2.779 3.256 278 HA ASN 34 HA ASN 34 -1.147 2.240 5.347 279 1HB ASN 34 2HB ASN 34 0.469 3.893 4.588 280 2HB ASN 34 1HB ASN 34 0.177 2.763 3.265 281 1HD2 ASN 34 1HD2 ASN 34 -0.414 3.696 1.297 282 2HD2 ASN 34 2HD2 ASN 34 -0.990 5.281 1.109 283 H PHE 35 HN PHE 35 -0.979 4.157 6.836 284 HA PHE 35 HA PHE 35 -2.752 6.436 6.489 285 1HB PHE 35 2HB PHE 35 -4.333 4.534 6.845 286 2HB PHE 35 1HB PHE 35 -3.564 4.223 8.401 287 HD1 PHE 35 HD1 PHE 35 -5.640 6.595 6.469 288 HD2 PHE 35 HD2 PHE 35 -3.910 5.695 10.296 289 HE1 PHE 35 HE1 PHE 35 -7.079 8.316 7.525 290 HE2 PHE 35 HE2 PHE 35 -5.350 7.415 11.352 291 HZ PHE 35 HZ PHE 35 -6.935 8.726 9.967 292 H ALA 36 HN ALA 36 -2.963 7.610 8.716 293 HA ALA 36 HA ALA 36 -0.466 8.247 9.794 294 1HB ALA 36 1HB ALA 36 -3.215 8.797 10.238 295 2HB ALA 36 2HB ALA 36 -1.832 9.707 10.844 296 3HB ALA 36 3HB ALA 36 -2.522 8.404 11.811 297 HA PRO 37 HA PRO 37 0.802 5.236 12.725 298 1HB PRO 37 2HB PRO 37 0.526 6.807 15.121 299 2HB PRO 37 1HB PRO 37 1.993 6.487 14.191 300 1HG PRO 37 2HG PRO 37 0.534 8.951 14.384 301 2HG PRO 37 1HG PRO 37 1.990 8.626 13.440 302 1HD PRO 37 2HD PRO 37 -0.706 9.023 12.473 303 2HD PRO 37 1HD PRO 37 0.766 8.725 11.519 304 H ILE 38 HN ILE 38 -1.296 4.070 12.369 305 HA ILE 38 HA ILE 38 -3.580 4.451 14.075 306 HB ILE 38 HB ILE 38 -2.673 1.929 12.664 307 1HG1 ILE 38 2HG1 ILE 38 -4.400 3.364 10.991 308 2HG1 ILE 38 1HG1 ILE 38 -3.264 4.567 11.598 309 1HG2 ILE 38 2HG2 ILE 38 -4.799 2.166 14.223 310 2HG2 ILE 38 1HG2 ILE 38 -5.482 2.965 12.808 311 3HG2 ILE 38 3HG2 ILE 38 -4.911 1.300 12.690 312 1HD1 ILE 38 2HD1 ILE 38 -1.445 2.778 11.038 313 2HD1 ILE 38 1HD1 ILE 38 -2.697 2.067 10.020 314 3HD1 ILE 38 3HD1 ILE 38 -2.145 3.714 9.718 315 HA PRO 39 HA PRO 39 -1.577 0.728 16.505 316 1HB PRO 39 2HB PRO 39 1.264 1.137 16.340 317 2HB PRO 39 1HB PRO 39 0.329 -0.248 15.771 318 1HG PRO 39 2HG PRO 39 1.629 1.740 14.186 319 2HG PRO 39 1HG PRO 39 0.618 0.409 13.622 320 1HD PRO 39 2HD PRO 39 -0.013 3.244 13.706 321 2HD PRO 39 1HD PRO 39 -0.971 1.920 13.007 322 H GLY 40 HN GLY 40 -1.164 1.028 18.736 323 1HA GLY 40 1HA GLY 40 0.012 3.658 19.530 324 2HA GLY 40 2HA GLY 40 0.027 2.215 20.545 325 H GLU 41 HN GLU 41 -2.922 2.065 19.207 326 HA GLU 41 HA GLU 41 -4.161 3.565 21.482 327 1HB GLU 41 2HB GLU 41 -5.955 4.153 19.697 328 2HB GLU 41 1HB GLU 41 -4.427 5.031 19.642 329 1HG GLU 41 2HG GLU 41 -3.850 4.122 17.647 330 2HG GLU 41 1HG GLU 41 -4.382 2.511 18.130 331 HA PRO 42 HA PRO 42 -5.607 -0.873 21.007 332 1HB PRO 42 2HB PRO 42 -5.492 -0.976 23.880 333 2HB PRO 42 1HB PRO 42 -4.488 -1.849 22.721 334 1HG PRO 42 2HG PRO 42 -3.727 0.342 24.415 335 2HG PRO 42 1HG PRO 42 -2.724 -0.528 23.252 336 1HD PRO 42 2HD PRO 42 -3.765 2.160 23.036 337 2HD PRO 42 1HD PRO 42 -2.748 1.284 21.867 338 H VAL 43 HN VAL 43 -7.783 -1.509 21.433 339 HA VAL 43 HA VAL 43 -9.443 0.063 23.294 340 HB VAL 43 HB VAL 43 -9.260 1.449 21.245 341 1HG1 VAL 43 3HG1 VAL 43 -9.064 -0.829 19.866 342 2HG1 VAL 43 2HG1 VAL 43 -10.803 -0.591 19.698 343 3HG1 VAL 43 1HG1 VAL 43 -9.683 0.644 19.120 344 1HG2 VAL 43 2HG2 VAL 43 -11.838 0.201 22.099 345 2HG2 VAL 43 1HG2 VAL 43 -11.319 1.884 22.198 346 3HG2 VAL 43 3HG2 VAL 43 -11.858 1.217 20.657 347 H VAL 44 HN VAL 44 -9.385 -2.353 23.968 348 HA VAL 44 HA VAL 44 -11.578 -3.815 22.531 349 HB VAL 44 HB VAL 44 -8.938 -4.738 23.683 350 1HG1 VAL 44 3HG1 VAL 44 -11.508 -6.183 23.466 351 2HG1 VAL 44 2HG1 VAL 44 -10.126 -7.021 22.761 352 3HG1 VAL 44 1HG1 VAL 44 -10.096 -6.542 24.458 353 1HG2 VAL 44 3HG2 VAL 44 -10.279 -4.696 20.996 354 2HG2 VAL 44 2HG2 VAL 44 -8.631 -4.237 21.425 355 3HG2 VAL 44 1HG2 VAL 44 -9.078 -5.941 21.341 356 HA PRO 45 HA PRO 45 -12.622 -2.949 27.015 357 1HB PRO 45 2HB PRO 45 -15.328 -2.665 26.078 358 2HB PRO 45 1HB PRO 45 -14.268 -1.417 26.737 359 1HG PRO 45 2HG PRO 45 -15.098 -1.776 24.005 360 2HG PRO 45 1HG PRO 45 -14.058 -0.513 24.669 361 1HD PRO 45 2HD PRO 45 -13.292 -2.725 22.989 362 2HD PRO 45 1HD PRO 45 -12.237 -1.475 23.691 363 H ILE 46 HN ILE 46 -14.789 -4.602 24.671 364 HA ILE 46 HA ILE 46 -14.455 -7.205 25.849 365 HB ILE 46 HB ILE 46 -15.662 -5.729 27.617 366 1HG1 ILE 46 2HG1 ILE 46 -15.496 -8.191 27.745 367 2HG1 ILE 46 1HG1 ILE 46 -17.072 -7.632 28.309 368 1HG2 ILE 46 3HG2 ILE 46 -17.935 -6.291 25.688 369 2HG2 ILE 46 2HG2 ILE 46 -18.111 -5.605 27.303 370 3HG2 ILE 46 1HG2 ILE 46 -17.261 -4.702 26.050 371 1HD1 ILE 46 3HD1 ILE 46 -17.793 -7.985 25.813 372 2HD1 ILE 46 2HD1 ILE 46 -16.366 -9.020 25.735 373 3HD1 ILE 46 1HD1 ILE 46 -17.661 -9.387 26.875 374 H LEU 47 HN LEU 47 -16.745 -5.018 24.201 375 HA LEU 47 HA LEU 47 -17.590 -7.310 22.466 376 1HB LEU 47 2HB LEU 47 -19.264 -6.011 23.851 377 2HB LEU 47 1HB LEU 47 -18.878 -4.594 22.875 378 HG LEU 47 HG LEU 47 -19.418 -6.078 20.836 379 1HD1 LEU 47 3HD1 LEU 47 -19.375 -8.213 22.128 380 2HD1 LEU 47 2HD1 LEU 47 -20.808 -7.678 23.006 381 3HD1 LEU 47 1HD1 LEU 47 -20.898 -7.973 21.270 382 1HD2 LEU 47 2HD2 LEU 47 -20.868 -4.242 21.805 383 2HD2 LEU 47 1HD2 LEU 47 -21.759 -5.510 20.962 384 3HD2 LEU 47 3HD2 LEU 47 -21.712 -5.487 22.724 385 H CYS 48 HN CYS 48 -15.065 -5.950 22.012 386 HA CYS 48 HA CYS 48 -13.869 -4.980 20.216 387 1HB CYS 48 2HB CYS 48 -16.313 -6.260 19.176 388 2HB CYS 48 1HB CYS 48 -15.626 -5.045 18.097 389 H SER 49 HN SER 49 -13.496 -2.803 20.088 390 HA SER 49 HA SER 49 -15.420 -0.797 20.717 391 1HB SER 49 2HB SER 49 -13.650 0.715 20.024 392 2HB SER 49 1HB SER 49 -12.907 -0.673 20.821 393 HG SER 49 HG SER 49 -13.051 -0.061 18.076 394 H ASN 50 HN ASN 50 -14.010 -1.612 17.535 395 HA ASN 50 HA ASN 50 -15.964 0.029 16.104 396 1HB ASN 50 2HB ASN 50 -13.667 -1.800 15.464 397 2HB ASN 50 1HB ASN 50 -14.741 -1.275 14.168 398 1HD2 ASN 50 1HD2 ASN 50 -13.104 0.112 13.191 399 2HD2 ASN 50 2HD2 ASN 50 -12.598 1.551 13.937 400 HA PRO 51 HA PRO 51 -18.948 -3.369 16.307 401 1HB PRO 51 2HB PRO 51 -20.685 -1.715 14.720 402 2HB PRO 51 1HB PRO 51 -20.803 -2.077 16.445 403 1HG PRO 51 2HG PRO 51 -20.043 0.401 15.212 404 2HG PRO 51 1HG PRO 51 -20.146 0.035 16.936 405 1HD PRO 51 2HD PRO 51 -17.767 0.421 15.341 406 2HD PRO 51 1HD PRO 51 -17.874 0.073 17.082 407 H ASN 52 HN ASN 52 -17.442 -1.822 13.618 408 HA ASN 52 HA ASN 52 -18.349 -4.057 11.834 409 1HB ASN 52 2HB ASN 52 -17.866 -1.124 11.224 410 2HB ASN 52 1HB ASN 52 -18.232 -2.347 10.007 411 1HD2 ASN 52 1HD2 ASN 52 -19.948 -0.050 10.616 412 2HD2 ASN 52 2HD2 ASN 52 -21.415 -0.668 11.205 413 H PHE 53 HN PHE 53 -15.901 -3.884 13.508 414 HA PHE 53 HA PHE 53 -13.696 -3.262 11.669 415 1HB PHE 53 2HB PHE 53 -12.374 -3.578 13.563 416 2HB PHE 53 1HB PHE 53 -13.920 -3.203 14.324 417 HD1 PHE 53 HD1 PHE 53 -15.493 -5.597 14.136 418 HD2 PHE 53 HD2 PHE 53 -11.266 -5.213 14.802 419 HE1 PHE 53 HE1 PHE 53 -15.471 -7.799 15.278 420 HE2 PHE 53 HE2 PHE 53 -11.245 -7.420 15.945 421 HZ PHE 53 HZ PHE 53 -13.346 -8.709 16.181 422 HA PRO 54 HA PRO 54 -12.990 -7.164 9.803 423 1HB PRO 54 2HB PRO 54 -10.548 -7.889 11.155 424 2HB PRO 54 1HB PRO 54 -10.738 -7.226 9.530 425 1HG PRO 54 2HG PRO 54 -9.738 -5.897 11.885 426 2HG PRO 54 1HG PRO 54 -9.886 -5.252 10.250 427 1HD PRO 54 2HD PRO 54 -11.457 -4.562 12.549 428 2HD PRO 54 1HD PRO 54 -11.673 -3.979 10.882 429 H GLU 55 HN GLU 55 -14.867 -7.778 11.274 430 HA GLU 55 HA GLU 55 -14.898 -8.946 13.739 431 1HB GLU 55 2HB GLU 55 -16.783 -8.707 12.146 432 2HB GLU 55 1HB GLU 55 -16.159 -10.080 11.226 433 1HG GLU 55 2HG GLU 55 -16.362 -11.498 13.267 434 2HG GLU 55 1HG GLU 55 -17.076 -10.128 14.118 435 H GLU 56 HN GLU 56 -13.330 -10.290 10.888 436 HA GLU 56 HA GLU 56 -12.998 -12.986 11.672 437 1HB GLU 56 2HB GLU 56 -11.125 -11.039 10.280 438 2HB GLU 56 1HB GLU 56 -10.901 -12.789 10.289 439 1HG GLU 56 2HG GLU 56 -13.155 -13.045 9.250 440 2HG GLU 56 1HG GLU 56 -13.286 -11.288 9.162 441 H LEU 57 HN LEU 57 -11.825 -10.085 13.087 442 HA LEU 57 HA LEU 57 -9.657 -11.436 14.609 443 1HB LEU 57 2HB LEU 57 -10.632 -8.566 14.708 444 2HB LEU 57 1HB LEU 57 -9.063 -9.176 15.230 445 HG LEU 57 HG LEU 57 -10.087 -9.244 12.375 446 1HD1 LEU 57 2HD1 LEU 57 -9.535 -6.959 13.392 447 2HD1 LEU 57 1HD1 LEU 57 -7.872 -7.531 13.517 448 3HD1 LEU 57 3HD1 LEU 57 -8.641 -7.398 11.936 449 1HD2 LEU 57 1HD2 LEU 57 -8.363 -10.987 13.309 450 2HD2 LEU 57 3HD2 LEU 57 -8.025 -10.170 11.782 451 3HD2 LEU 57 2HD2 LEU 57 -7.242 -9.625 13.265 452 H LYS 58 HN LYS 58 -12.889 -11.415 14.890 453 HA LYS 58 HA LYS 58 -13.808 -10.397 17.252 454 1HB LYS 58 2HB LYS 58 -14.402 -12.538 15.501 455 2HB LYS 58 1HB LYS 58 -14.459 -13.209 17.131 456 1HG LYS 58 2HG LYS 58 -16.126 -11.687 17.826 457 2HG LYS 58 1HG LYS 58 -15.811 -10.592 16.480 458 1HD LYS 58 2HD LYS 58 -17.827 -11.727 15.908 459 2HD LYS 58 1HD LYS 58 -16.569 -12.505 14.949 460 1HE LYS 58 2HE LYS 58 -17.344 -14.457 15.846 461 2HE LYS 58 1HE LYS 58 -16.532 -13.942 17.337 462 1HZ LYS 58 1HZ LYS 58 -18.654 -12.507 17.621 463 2HZ LYS 58 3HZ LYS 58 -19.357 -13.614 16.546 464 3HZ LYS 58 2HZ LYS 58 -18.717 -14.156 18.024 465 HA PRO 59 HA PRO 59 -11.812 -14.108 19.737 466 1HB PRO 59 2HB PRO 59 -9.403 -14.732 18.283 467 2HB PRO 59 1HB PRO 59 -10.757 -15.800 18.658 468 1HG PRO 59 2HG PRO 59 -10.062 -14.600 16.116 469 2HG PRO 59 1HG PRO 59 -11.339 -15.766 16.464 470 1HD PRO 59 2HD PRO 59 -11.670 -13.020 15.802 471 2HD PRO 59 1HD PRO 59 -12.938 -14.133 16.360 472 H LEU 60 HN LEU 60 -9.683 -11.991 17.768 473 HA LEU 60 HA LEU 60 -7.728 -11.461 19.760 474 1HB LEU 60 2HB LEU 60 -8.848 -9.824 17.464 475 2HB LEU 60 1HB LEU 60 -7.367 -9.414 18.331 476 HG LEU 60 HG LEU 60 -7.905 -11.961 16.772 477 1HD1 LEU 60 1HD1 LEU 60 -7.324 -9.759 15.561 478 2HD1 LEU 60 3HD1 LEU 60 -5.738 -9.905 16.318 479 3HD1 LEU 60 2HD1 LEU 60 -6.306 -11.156 15.213 480 1HD2 LEU 60 1HD2 LEU 60 -5.693 -11.130 18.639 481 2HD2 LEU 60 3HD2 LEU 60 -6.560 -12.664 18.565 482 3HD2 LEU 60 2HD2 LEU 60 -5.376 -12.260 17.323 483 H CYS 61 HN CYS 61 -10.890 -9.949 19.120 484 HA CYS 61 HA CYS 61 -10.591 -7.756 20.960 485 1HB CYS 61 2HB CYS 61 -13.008 -9.243 19.881 486 2HB CYS 61 1HB CYS 61 -13.078 -7.682 20.699 487 H LYS 62 HN LYS 62 -11.527 -11.129 21.352 488 HA LYS 62 HA LYS 62 -12.307 -10.624 24.191 489 1HB LYS 62 2HB LYS 62 -12.506 -13.059 22.381 490 2HB LYS 62 1HB LYS 62 -13.177 -12.946 24.008 491 1HG LYS 62 2HG LYS 62 -14.577 -11.027 23.270 492 2HG LYS 62 1HG LYS 62 -13.940 -11.214 21.636 493 1HD LYS 62 2HD LYS 62 -14.810 -13.563 21.621 494 2HD LYS 62 1HD LYS 62 -15.549 -13.260 23.194 495 1HE LYS 62 2HE LYS 62 -17.090 -11.706 22.303 496 2HE LYS 62 1HE LYS 62 -16.118 -11.445 20.843 497 1HZ LYS 62 3HZ LYS 62 -16.900 -14.193 21.388 498 2HZ LYS 62 2HZ LYS 62 -18.168 -13.151 20.949 499 3HZ LYS 62 1HZ LYS 62 -16.839 -13.360 19.913 500 H GLU 63 HN GLU 63 -9.499 -10.643 22.983 501 HA GLU 63 HA GLU 63 -8.341 -12.916 24.548 502 1HB GLU 63 2HB GLU 63 -7.939 -11.734 21.926 503 2HB GLU 63 1HB GLU 63 -6.433 -11.739 22.840 504 1HG GLU 63 2HG GLU 63 -7.215 -13.845 21.397 505 2HG GLU 63 1HG GLU 63 -6.311 -14.029 22.904 506 HA PRO 64 HA PRO 64 -6.655 -9.963 27.366 507 1HB PRO 64 2HB PRO 64 -4.367 -11.646 27.833 508 2HB PRO 64 1HB PRO 64 -5.799 -11.457 28.847 509 1HG PRO 64 2HG PRO 64 -5.066 -13.724 27.255 510 2HG PRO 64 1HG PRO 64 -6.520 -13.518 28.234 511 1HD PRO 64 2HD PRO 64 -6.291 -13.492 25.344 512 2HD PRO 64 1HD PRO 64 -7.765 -13.351 26.332 513 H ASN 65 HN ASN 65 -4.683 -11.469 24.829 514 HA ASN 65 HA ASN 65 -2.628 -9.355 24.964 515 1HB ASN 65 2HB ASN 65 -3.120 -11.663 23.053 516 2HB ASN 65 1HB ASN 65 -1.642 -10.702 23.135 517 1HD2 ASN 65 1HD2 ASN 65 -1.381 -10.466 25.966 518 2HD2 ASN 65 2HD2 ASN 65 -1.100 -12.008 26.619 519 H ALA 66 HN ALA 66 -5.708 -9.414 23.730 520 HA ALA 66 HA ALA 66 -5.659 -8.552 21.084 521 1HB ALA 66 1HB ALA 66 -7.556 -8.830 22.868 522 2HB ALA 66 2HB ALA 66 -7.777 -7.653 21.574 523 3HB ALA 66 3HB ALA 66 -7.280 -7.117 23.180 524 H GLN 67 HN GLN 67 -5.012 -6.589 23.996 525 HA GLN 67 HA GLN 67 -4.716 -4.055 22.780 526 1HB GLN 67 2HB GLN 67 -3.308 -5.379 25.119 527 2HB GLN 67 1HB GLN 67 -3.239 -3.648 24.787 528 1HG GLN 67 2HG GLN 67 -5.705 -3.524 24.946 529 2HG GLN 67 1HG GLN 67 -5.766 -5.252 25.294 530 1HE2 GLN 67 1HE2 GLN 67 -6.821 -3.575 27.236 531 2HE2 GLN 67 2HE2 GLN 67 -5.780 -3.488 28.575 532 H GLU 68 HN GLU 68 -2.321 -6.676 23.186 533 HA GLU 68 HA GLU 68 -0.184 -5.142 21.900 534 1HB GLU 68 2HB GLU 68 -0.532 -8.046 22.710 535 2HB GLU 68 1HB GLU 68 0.984 -7.359 22.124 536 1HG GLU 68 2HG GLU 68 0.929 -5.709 23.980 537 2HG GLU 68 1HG GLU 68 -0.553 -6.454 24.579 538 H ILE 69 HN ILE 69 -2.490 -7.670 20.948 539 HA ILE 69 HA ILE 69 -1.337 -8.229 18.366 540 HB ILE 69 HB ILE 69 -4.170 -8.459 19.441 541 1HG1 ILE 69 2HG1 ILE 69 -2.014 -10.577 19.231 542 2HG1 ILE 69 1HG1 ILE 69 -2.317 -9.651 20.701 543 1HG2 ILE 69 3HG2 ILE 69 -2.818 -9.432 16.937 544 2HG2 ILE 69 2HG2 ILE 69 -4.114 -10.388 17.657 545 3HG2 ILE 69 1HG2 ILE 69 -4.426 -8.733 17.132 546 1HD1 ILE 69 3HD1 ILE 69 -4.827 -10.428 20.237 547 2HD1 ILE 69 2HD1 ILE 69 -4.009 -11.739 19.388 548 3HD1 ILE 69 1HD1 ILE 69 -3.694 -11.467 21.102 549 H LEU 70 HN LEU 70 -4.037 -6.117 19.388 550 HA LEU 70 HA LEU 70 -4.797 -5.081 16.886 551 1HB LEU 70 2HB LEU 70 -6.098 -4.615 18.815 552 2HB LEU 70 1HB LEU 70 -4.707 -4.001 19.707 553 HG LEU 70 HG LEU 70 -6.408 -2.286 18.735 554 1HD1 LEU 70 1HD1 LEU 70 -3.719 -2.168 19.364 555 2HD1 LEU 70 3HD1 LEU 70 -3.767 -1.472 17.743 556 3HD1 LEU 70 2HD1 LEU 70 -4.746 -0.774 19.032 557 1HD2 LEU 70 3HD2 LEU 70 -5.953 -3.623 16.410 558 2HD2 LEU 70 2HD2 LEU 70 -6.483 -1.942 16.479 559 3HD2 LEU 70 1HD2 LEU 70 -4.776 -2.319 16.266 560 H GLN 71 HN GLN 71 -2.415 -3.655 19.170 561 HA GLN 71 HA GLN 71 -1.560 -1.460 17.669 562 1HB GLN 71 2HB GLN 71 -0.014 -3.405 19.409 563 2HB GLN 71 1HB GLN 71 0.603 -1.830 18.910 564 1HG GLN 71 2HG GLN 71 -1.321 -0.730 19.999 565 2HG GLN 71 1HG GLN 71 -1.941 -2.305 20.498 566 1HE2 GLN 71 1HE2 GLN 71 -1.127 -0.180 22.352 567 2HE2 GLN 71 2HE2 GLN 71 0.183 -0.780 23.248 568 H ARG 72 HN ARG 72 -0.158 -4.761 17.537 569 HA ARG 72 HA ARG 72 1.781 -4.312 15.538 570 1HB ARG 72 2HB ARG 72 0.065 -6.694 16.275 571 2HB ARG 72 1HB ARG 72 1.401 -6.805 15.130 572 1HG ARG 72 2HG ARG 72 2.867 -5.768 16.942 573 2HG ARG 72 1HG ARG 72 1.526 -6.041 18.056 574 1HD ARG 72 2HD ARG 72 2.981 -8.168 16.440 575 2HD ARG 72 1HD ARG 72 3.031 -7.956 18.201 576 HE ARG 72 HE ARG 72 0.313 -8.119 17.562 577 1HH1 ARG 72 1HH1 ARG 72 3.163 -10.047 17.386 578 2HH1 ARG 72 2HH1 ARG 72 2.304 -11.549 17.316 579 1HH2 ARG 72 1HH2 ARG 72 -0.830 -10.064 17.364 580 2HH2 ARG 72 2HH2 ARG 72 0.042 -11.558 17.304 581 H LEU 73 HN LEU 73 -1.471 -5.741 14.994 582 HA LEU 73 HA LEU 73 -1.533 -5.857 12.232 583 1HB LEU 73 2HB LEU 73 -3.681 -4.893 14.149 584 2HB LEU 73 1HB LEU 73 -3.985 -5.462 12.508 585 HG LEU 73 HG LEU 73 -2.772 -7.066 14.778 586 1HD1 LEU 73 1HD1 LEU 73 -5.467 -6.786 13.592 587 2HD1 LEU 73 3HD1 LEU 73 -4.927 -8.450 13.824 588 3HD1 LEU 73 2HD1 LEU 73 -4.997 -7.344 15.197 589 1HD2 LEU 73 2HD2 LEU 73 -2.775 -7.418 11.842 590 2HD2 LEU 73 1HD2 LEU 73 -1.707 -8.120 13.058 591 3HD2 LEU 73 3HD2 LEU 73 -3.292 -8.833 12.759 592 H GLU 74 HN GLU 74 -2.372 -2.971 14.181 593 HA GLU 74 HA GLU 74 -2.903 -1.222 11.997 594 1HB GLU 74 2HB GLU 74 -1.789 -0.624 14.754 595 2HB GLU 74 1HB GLU 74 -2.663 0.504 13.719 596 1HG GLU 74 2HG GLU 74 -4.602 -1.122 13.750 597 2HG GLU 74 1HG GLU 74 -3.730 -2.027 14.984 598 H GLU 75 HN GLU 75 0.155 -2.269 13.429 599 HA GLU 75 HA GLU 75 1.767 -0.129 12.325 600 1HB GLU 75 2HB GLU 75 2.345 -1.625 14.253 601 2HB GLU 75 1HB GLU 75 2.505 -2.965 13.118 602 1HG GLU 75 2HG GLU 75 4.242 -1.663 11.885 603 2HG GLU 75 1HG GLU 75 4.125 -0.400 13.111 604 H ILE 76 HN ILE 76 1.210 -3.527 11.323 605 HA ILE 76 HA ILE 76 2.704 -3.307 8.863 606 HB ILE 76 HB ILE 76 0.429 -5.158 9.657 607 1HG1 ILE 76 2HG1 ILE 76 2.084 -5.263 11.387 608 2HG1 ILE 76 1HG1 ILE 76 2.377 -6.655 10.344 609 1HG2 ILE 76 2HG2 ILE 76 2.577 -5.232 7.541 610 2HG2 ILE 76 1HG2 ILE 76 1.863 -6.723 8.156 611 3HG2 ILE 76 3HG2 ILE 76 0.846 -5.519 7.364 612 1HD1 ILE 76 1HD1 ILE 76 3.931 -4.833 9.095 613 2HD1 ILE 76 3HD1 ILE 76 4.014 -4.202 10.740 614 3HD1 ILE 76 2HD1 ILE 76 4.528 -5.856 10.403 615 H ALA 77 HN ALA 77 -0.686 -2.834 9.748 616 HA ALA 77 HA ALA 77 -1.781 -2.553 7.114 617 1HB ALA 77 1HB ALA 77 -2.814 -2.755 9.537 618 2HB ALA 77 3HB ALA 77 -2.742 -0.994 9.500 619 3HB ALA 77 2HB ALA 77 -3.687 -1.863 8.291 620 H GLU 78 HN GLU 78 -0.024 -0.361 9.224 621 HA GLU 78 HA GLU 78 -0.671 2.121 7.969 622 1HB GLU 78 2HB GLU 78 0.452 1.764 10.170 623 2HB GLU 78 1HB GLU 78 1.892 1.211 9.316 624 1HG GLU 78 2HG GLU 78 1.996 3.413 8.144 625 2HG GLU 78 1HG GLU 78 0.619 3.957 9.101 626 H ASP 79 HN ASP 79 1.754 -0.367 7.189 627 HA ASP 79 HA ASP 79 2.034 0.746 4.484 628 1HB ASP 79 2HB ASP 79 3.536 2.222 5.573 629 2HB ASP 79 1HB ASP 79 4.155 0.947 6.622 630 HA PRO 80 HA PRO 80 2.782 -3.500 3.600 631 1HB PRO 80 2HB PRO 80 4.437 -2.825 1.348 632 2HB PRO 80 1HB PRO 80 2.742 -3.318 1.339 633 1HG PRO 80 2HG PRO 80 3.816 -0.713 0.805 634 2HG PRO 80 1HG PRO 80 2.121 -1.202 0.820 635 1HD PRO 80 2HD PRO 80 3.522 0.428 2.757 636 2HD PRO 80 1HD PRO 80 1.804 -0.034 2.752 637 H GLY 81 HN GLY 81 4.201 -3.703 5.511 638 1HA GLY 81 1HA GLY 81 6.263 -4.234 6.532 639 2HA GLY 81 2HA GLY 81 7.021 -3.107 5.403 640 H THR 82 HN THR 82 7.336 -6.165 6.300 641 HA THR 82 HA THR 82 8.389 -7.025 3.689 642 HB THR 82 HB THR 82 9.179 -8.939 5.058 643 HG1 THR 82 1HG THR 82 8.144 -7.803 7.364 644 1HG2 THR 82 1HG2 THR 82 10.216 -6.547 5.120 645 2HG2 THR 82 3HG2 THR 82 9.546 -6.480 6.749 646 3HG2 THR 82 2HG2 THR 82 10.726 -7.722 6.331 647 H CYS 83 HN CYS 83 5.501 -7.340 5.500 648 HA CYS 83 HA CYS 83 4.471 -9.867 4.847 649 1HB CYS 83 2HB CYS 83 3.536 -7.849 6.209 650 2HB CYS 83 1HB CYS 83 2.824 -7.347 4.676 651 H GLU 84 HN GLU 84 4.167 -6.877 2.890 652 HA GLU 84 HA GLU 84 2.785 -8.036 0.694 653 1HB GLU 84 2HB GLU 84 3.087 -5.614 1.210 654 2HB GLU 84 1HB GLU 84 4.779 -5.752 0.732 655 1HG GLU 84 2HG GLU 84 3.986 -6.599 -1.513 656 2HG GLU 84 1HG GLU 84 2.343 -6.197 -1.016 657 H ILE 85 HN ILE 85 6.286 -7.861 1.374 658 HA ILE 85 HA ILE 85 6.856 -9.130 -1.255 659 HB ILE 85 HB ILE 85 9.117 -8.456 -0.802 660 1HG1 ILE 85 2HG1 ILE 85 8.138 -8.175 2.045 661 2HG1 ILE 85 1HG1 ILE 85 9.430 -9.212 1.444 662 1HG2 ILE 85 3HG2 ILE 85 7.203 -6.668 -1.119 663 2HG2 ILE 85 2HG2 ILE 85 7.595 -6.246 0.548 664 3HG2 ILE 85 1HG2 ILE 85 8.835 -6.143 -0.703 665 1HD1 ILE 85 2HD1 ILE 85 10.359 -6.815 0.612 666 2HD1 ILE 85 1HD1 ILE 85 9.454 -6.298 2.034 667 3HD1 ILE 85 3HD1 ILE 85 10.747 -7.488 2.195 668 H CYS 86 HN CYS 86 5.681 -10.428 1.358 669 HA CYS 86 HA CYS 86 5.907 -12.501 2.474 670 1HB CYS 86 2HB CYS 86 6.853 -12.740 -0.324 671 2HB CYS 86 1HB CYS 86 7.307 -14.069 0.742 672 H ALA 87 HN ALA 87 8.285 -10.413 2.499 673 HA ALA 87 HA ALA 87 10.702 -11.951 2.827 674 1HB ALA 87 2HB ALA 87 11.025 -9.686 4.336 675 2HB ALA 87 3HB ALA 87 9.680 -9.214 3.298 676 3HB ALA 87 1HB ALA 87 11.206 -9.733 2.582 677 H TYR 88 HN TYR 88 7.899 -11.605 4.758 678 HA TYR 88 HA TYR 88 9.266 -12.987 7.027 679 1HB TYR 88 2HB TYR 88 9.101 -10.482 7.349 680 2HB TYR 88 1HB TYR 88 7.346 -10.651 7.285 681 HD1 TYR 88 HD1 TYR 88 10.321 -12.132 9.036 682 HD2 TYR 88 HD2 TYR 88 6.184 -10.996 9.276 683 HE1 TYR 88 HE1 TYR 88 10.291 -12.745 11.439 684 HE2 TYR 88 HE2 TYR 88 6.154 -11.609 11.678 685 HH TYR 88 HH TYR 88 9.033 -12.996 13.255 686 H ALA 89 HN ALA 89 7.524 -13.877 8.572 687 HA ALA 89 HA ALA 89 5.535 -15.345 7.030 688 1HB ALA 89 1HB ALA 89 6.276 -16.610 8.795 689 2HB ALA 89 2HB ALA 89 4.960 -15.805 9.651 690 3HB ALA 89 3HB ALA 89 6.609 -15.195 9.793 691 H ALA 90 HN ALA 90 5.529 -12.203 7.974 692 HA ALA 90 HA ALA 90 3.080 -11.754 9.331 693 1HB ALA 90 2HB ALA 90 4.915 -10.267 7.504 694 2HB ALA 90 1HB ALA 90 3.337 -9.551 7.831 695 3HB ALA 90 3HB ALA 90 4.444 -9.894 9.161 696 H CYS 91 HN CYS 91 3.742 -12.087 5.837 697 HA CYS 91 HA CYS 91 0.813 -11.903 5.296 698 1HB CYS 91 2HB CYS 91 3.340 -11.292 3.911 699 2HB CYS 91 1HB CYS 91 2.124 -12.050 2.882 700 H THR 92 HN THR 92 -0.307 -13.758 4.864 701 HA THR 92 HA THR 92 1.249 -16.259 4.323 702 HB THR 92 HB THR 92 -0.588 -17.381 5.375 703 HG1 THR 92 1HG THR 92 -1.955 -14.904 5.186 704 1HG2 THR 92 1HG2 THR 92 0.930 -15.757 6.772 705 2HG2 THR 92 3HG2 THR 92 -0.555 -14.821 6.942 706 3HG2 THR 92 2HG2 THR 92 -0.489 -16.485 7.525 707 H GLY 93 HN GLY 93 0.126 -17.818 2.817 708 1HA GLY 93 1HA GLY 93 -1.673 -16.514 0.842 709 2HA GLY 93 2HA GLY 93 -1.408 -18.250 0.990 710 H CYS 94 HN CYS 94 1.520 -16.634 1.252 711 HA CYS 94 HA CYS 94 2.092 -16.265 -1.589 712 1HB CYS 94 2HB CYS 94 3.223 -15.675 0.989 713 2HB CYS 94 1HB CYS 94 4.453 -16.449 -0.012 No H/Q in entry = 713 Start of MODEL 18 1 H1 VAL 1 3H VAL 1 -2.317 -12.289 0.351 2 H2 VAL 1 2H VAL 1 -1.034 -12.933 -0.558 3 H3 VAL 1 1H VAL 1 -1.695 -13.821 0.731 4 HA VAL 1 HA VAL 1 0.130 -12.994 1.803 5 HB VAL 1 HB VAL 1 0.970 -10.676 1.061 6 1HG1 VAL 1 1HG1 VAL 1 0.809 -13.053 -0.800 7 2HG1 VAL 1 3HG1 VAL 1 1.788 -11.635 -1.170 8 3HG1 VAL 1 2HG1 VAL 1 2.138 -12.597 0.266 9 1HG2 VAL 1 1HG2 VAL 1 -1.438 -10.343 -0.029 10 2HG2 VAL 1 3HG2 VAL 1 -0.004 -9.606 -0.745 11 3HG2 VAL 1 2HG2 VAL 1 -0.654 -11.103 -1.414 12 H THR 2 HN THR 2 -1.289 -12.913 3.655 13 HA THR 2 HA THR 2 -2.314 -10.161 4.283 14 HB THR 2 HB THR 2 -4.074 -11.841 3.644 15 HG1 THR 2 1HG THR 2 -5.120 -11.623 5.873 16 1HG2 THR 2 1HG2 THR 2 -2.499 -13.556 5.175 17 2HG2 THR 2 3HG2 THR 2 -3.931 -13.285 6.169 18 3HG2 THR 2 2HG2 THR 2 -4.101 -13.914 4.531 19 H VAL 3 HN VAL 3 -2.506 -9.800 6.665 20 HA VAL 3 HA VAL 3 -0.146 -10.812 8.083 21 HB VAL 3 HB VAL 3 -2.434 -8.927 8.712 22 1HG1 VAL 3 3HG1 VAL 3 -1.520 -10.187 10.746 23 2HG1 VAL 3 2HG1 VAL 3 0.011 -9.369 10.437 24 3HG1 VAL 3 1HG1 VAL 3 -1.431 -8.427 10.819 25 1HG2 VAL 3 1HG2 VAL 3 0.519 -8.585 8.125 26 2HG2 VAL 3 3HG2 VAL 3 -0.835 -8.031 7.141 27 3HG2 VAL 3 2HG2 VAL 3 -0.516 -7.280 8.704 28 H GLN 4 HN GLN 4 -0.308 -12.883 8.923 29 HA GLN 4 HA GLN 4 -2.932 -13.706 10.107 30 1HB GLN 4 2HB GLN 4 -2.048 -15.049 8.243 31 2HB GLN 4 1HB GLN 4 -0.536 -15.290 9.120 32 1HG GLN 4 2HG GLN 4 -1.884 -16.357 10.973 33 2HG GLN 4 1HG GLN 4 -3.290 -16.281 9.910 34 1HE2 GLN 4 1HE2 GLN 4 -3.567 -18.052 8.536 35 2HE2 GLN 4 2HE2 GLN 4 -2.356 -19.176 8.147 36 H ASP 5 HN ASP 5 -2.995 -13.666 12.303 37 HA ASP 5 HA ASP 5 -0.444 -13.739 13.844 38 1HB ASP 5 2HB ASP 5 -3.318 -13.017 14.509 39 2HB ASP 5 1HB ASP 5 -1.998 -12.965 15.677 40 H GLY 6 HN GLY 6 -2.517 -15.958 12.653 41 1HA GLY 6 1HA GLY 6 -3.380 -17.548 14.822 42 2HA GLY 6 2HA GLY 6 -1.728 -18.042 14.449 43 H ASN 7 HN ASN 7 -4.483 -19.340 14.015 44 HA ASN 7 HA ASN 7 -3.851 -20.492 11.399 45 1HB ASN 7 2HB ASN 7 -4.805 -21.586 13.550 46 2HB ASN 7 1HB ASN 7 -6.351 -20.909 13.042 47 1HD2 ASN 7 1HD2 ASN 7 -6.820 -23.399 12.903 48 2HD2 ASN 7 2HD2 ASN 7 -6.480 -24.149 11.419 49 H PHE 8 HN PHE 8 -5.376 -17.662 12.256 50 HA PHE 8 HA PHE 8 -7.328 -17.822 9.985 51 1HB PHE 8 2HB PHE 8 -7.171 -16.030 12.431 52 2HB PHE 8 1HB PHE 8 -8.442 -15.961 11.210 53 HD1 PHE 8 HD1 PHE 8 -6.962 -17.978 13.928 54 HD2 PHE 8 HD2 PHE 8 -10.142 -17.686 11.056 55 HE1 PHE 8 HE1 PHE 8 -8.177 -19.802 15.089 56 HE2 PHE 8 HE2 PHE 8 -11.357 -19.511 12.217 57 HZ PHE 8 HZ PHE 8 -10.374 -20.569 14.232 58 H SER 9 HN SER 9 -7.091 -16.378 8.292 59 HA SER 9 HA SER 9 -4.637 -14.732 8.213 60 1HB SER 9 2HB SER 9 -6.820 -15.429 6.225 61 2HB SER 9 1HB SER 9 -5.398 -14.468 5.822 62 HG SER 9 HG SER 9 -5.626 -17.179 6.400 63 H PHE 10 HN PHE 10 -4.672 -12.541 8.600 64 HA PHE 10 HA PHE 10 -7.343 -11.185 8.713 65 1HB PHE 10 2HB PHE 10 -4.682 -10.652 10.071 66 2HB PHE 10 1HB PHE 10 -6.107 -9.632 10.258 67 HD1 PHE 10 HD1 PHE 10 -8.256 -10.704 11.139 68 HD2 PHE 10 HD2 PHE 10 -4.415 -12.614 11.366 69 HE1 PHE 10 HE1 PHE 10 -9.110 -12.216 12.906 70 HE2 PHE 10 HE2 PHE 10 -5.272 -14.127 13.134 71 HZ PHE 10 HZ PHE 10 -7.621 -13.928 13.905 72 H SER 11 HN SER 11 -7.694 -9.844 6.982 73 HA SER 11 HA SER 11 -5.593 -9.027 5.164 74 1HB SER 11 2HB SER 11 -7.415 -7.917 4.036 75 2HB SER 11 1HB SER 11 -8.067 -9.411 4.709 76 HG SER 11 HG SER 11 -8.892 -6.957 5.149 77 H LEU 12 HN LEU 12 -5.233 -6.622 4.681 78 HA LEU 12 HA LEU 12 -4.778 -5.189 7.253 79 1HB LEU 12 2HB LEU 12 -3.768 -4.688 4.434 80 2HB LEU 12 1HB LEU 12 -3.168 -3.918 5.903 81 HG LEU 12 HG LEU 12 -3.049 -6.882 5.262 82 1HD1 LEU 12 2HD1 LEU 12 -1.206 -4.608 4.919 83 2HD1 LEU 12 1HD1 LEU 12 -0.494 -5.993 5.747 84 3HD1 LEU 12 3HD1 LEU 12 -1.197 -6.191 4.141 85 1HD2 LEU 12 1HD2 LEU 12 -3.006 -5.468 7.767 86 2HD2 LEU 12 3HD2 LEU 12 -2.837 -7.201 7.481 87 3HD2 LEU 12 2HD2 LEU 12 -1.411 -6.162 7.469 88 H GLU 13 HN GLU 13 -7.181 -5.307 4.999 89 HA GLU 13 HA GLU 13 -7.611 -2.472 4.487 90 1HB GLU 13 2HB GLU 13 -8.365 -4.422 3.078 91 2HB GLU 13 1HB GLU 13 -9.537 -4.811 4.336 92 1HG GLU 13 2HG GLU 13 -10.520 -2.541 4.088 93 2HG GLU 13 1HG GLU 13 -9.379 -2.209 2.784 94 H SER 14 HN SER 14 -9.814 -4.724 6.205 95 HA SER 14 HA SER 14 -11.378 -2.919 7.585 96 1HB SER 14 2HB SER 14 -10.165 -5.371 8.879 97 2HB SER 14 1HB SER 14 -11.780 -4.709 9.126 98 HG SER 14 HG SER 14 -11.885 -6.462 7.727 99 H VAL 15 HN VAL 15 -8.220 -4.169 8.760 100 HA VAL 15 HA VAL 15 -8.122 -2.637 11.150 101 HB VAL 15 HB VAL 15 -5.609 -3.008 10.811 102 1HG1 VAL 15 1HG1 VAL 15 -7.630 -4.673 11.614 103 2HG1 VAL 15 3HG1 VAL 15 -6.882 -5.632 10.335 104 3HG1 VAL 15 2HG1 VAL 15 -5.915 -5.082 11.704 105 1HG2 VAL 15 3HG2 VAL 15 -6.650 -3.673 8.150 106 2HG2 VAL 15 2HG2 VAL 15 -5.001 -3.310 8.650 107 3HG2 VAL 15 1HG2 VAL 15 -5.638 -4.944 8.832 108 H LYS 16 HN LYS 16 -6.780 -1.873 7.900 109 HA LYS 16 HA LYS 16 -5.699 0.672 8.512 110 1HB LYS 16 2HB LYS 16 -5.371 -0.503 6.385 111 2HB LYS 16 1HB LYS 16 -7.093 -0.388 6.026 112 1HG LYS 16 2HG LYS 16 -6.878 2.112 6.079 113 2HG LYS 16 1HG LYS 16 -5.136 1.917 6.274 114 1HD LYS 16 2HD LYS 16 -4.997 0.732 4.139 115 2HD LYS 16 1HD LYS 16 -6.749 0.800 3.957 116 1HE LYS 16 2HE LYS 16 -6.636 2.899 3.100 117 2HE LYS 16 1HE LYS 16 -5.628 3.452 4.450 118 1HZ LYS 16 2HZ LYS 16 -3.870 1.934 3.261 119 2HZ LYS 16 1HZ LYS 16 -4.824 2.250 1.891 120 3HZ LYS 16 3HZ LYS 16 -4.115 3.534 2.742 121 H LYS 17 HN LYS 17 -8.946 -0.061 7.171 122 HA LYS 17 HA LYS 17 -9.920 2.640 7.760 123 1HB LYS 17 2HB LYS 17 -11.254 0.065 6.851 124 2HB LYS 17 1HB LYS 17 -12.031 1.649 6.862 125 1HG LYS 17 2HG LYS 17 -10.275 2.496 5.322 126 2HG LYS 17 1HG LYS 17 -9.555 0.886 5.280 127 1HD LYS 17 2HD LYS 17 -11.729 -0.011 4.430 128 2HD LYS 17 1HD LYS 17 -12.348 1.638 4.365 129 1HE LYS 17 2HE LYS 17 -11.142 2.141 2.480 130 2HE LYS 17 1HE LYS 17 -9.732 1.209 3.021 131 1HZ LYS 17 2HZ LYS 17 -12.286 -0.106 2.297 132 2HZ LYS 17 1HZ LYS 17 -11.114 0.242 1.117 133 3HZ LYS 17 3HZ LYS 17 -10.736 -0.795 2.404 134 H LEU 18 HN LEU 18 -9.096 0.344 9.850 135 HA LEU 18 HA LEU 18 -11.360 -0.352 11.393 136 1HB LEU 18 2HB LEU 18 -9.094 -1.283 11.600 137 2HB LEU 18 1HB LEU 18 -8.489 0.275 12.158 138 HG LEU 18 HG LEU 18 -9.875 0.148 14.156 139 1HD1 LEU 18 1HD1 LEU 18 -10.991 -2.262 12.735 140 2HD1 LEU 18 3HD1 LEU 18 -11.077 -2.145 14.492 141 3HD1 LEU 18 2HD1 LEU 18 -11.858 -0.924 13.488 142 1HD2 LEU 18 1HD2 LEU 18 -7.646 -1.308 13.748 143 2HD2 LEU 18 3HD2 LEU 18 -8.538 -1.366 15.270 144 3HD2 LEU 18 2HD2 LEU 18 -8.776 -2.627 14.060 145 H LYS 19 HN LYS 19 -9.362 2.603 11.417 146 HA LYS 19 HA LYS 19 -10.347 3.816 13.777 147 1HB LYS 19 2HB LYS 19 -8.481 4.621 12.340 148 2HB LYS 19 1HB LYS 19 -9.654 5.095 11.110 149 1HG LYS 19 2HG LYS 19 -10.725 6.625 12.733 150 2HG LYS 19 1HG LYS 19 -9.538 6.159 13.950 151 1HD LYS 19 2HD LYS 19 -7.731 6.961 12.399 152 2HD LYS 19 1HD LYS 19 -8.988 7.564 11.321 153 1HE LYS 19 2HE LYS 19 -9.737 9.168 12.922 154 2HE LYS 19 1HE LYS 19 -8.850 8.377 14.239 155 1HZ LYS 19 3HZ LYS 19 -7.304 9.142 11.888 156 2HZ LYS 19 2HZ LYS 19 -7.858 10.422 12.859 157 3HZ LYS 19 1HZ LYS 19 -6.878 9.207 13.529 158 H ASP 20 HN ASP 20 -11.697 3.891 10.470 159 HA ASP 20 HA ASP 20 -14.117 5.291 11.503 160 1HB ASP 20 2HB ASP 20 -13.037 4.654 8.742 161 2HB ASP 20 1HB ASP 20 -14.564 5.488 9.022 162 H LEU 21 HN LEU 21 -15.600 3.829 12.304 163 HA LEU 21 HA LEU 21 -15.785 1.072 11.549 164 1HB LEU 21 2HB LEU 21 -17.750 3.012 12.809 165 2HB LEU 21 1HB LEU 21 -17.965 1.262 12.781 166 HG LEU 21 HG LEU 21 -15.599 2.709 14.011 167 1HD1 LEU 21 1HD1 LEU 21 -17.955 2.823 15.130 168 2HD1 LEU 21 3HD1 LEU 21 -17.678 1.122 15.500 169 3HD1 LEU 21 2HD1 LEU 21 -16.572 2.349 16.117 170 1HD2 LEU 21 2HD2 LEU 21 -15.946 0.025 13.121 171 2HD2 LEU 21 1HD2 LEU 21 -14.591 0.697 14.026 172 3HD2 LEU 21 3HD2 LEU 21 -15.966 0.002 14.885 173 H GLN 22 HN GLN 22 -17.454 3.986 10.383 174 HA GLN 22 HA GLN 22 -19.469 2.734 8.807 175 1HB GLN 22 2HB GLN 22 -18.663 5.274 9.452 176 2HB GLN 22 1HB GLN 22 -18.210 5.191 7.750 177 1HG GLN 22 2HG GLN 22 -20.420 5.884 7.565 178 2HG GLN 22 1HG GLN 22 -20.625 4.134 7.493 179 1HE2 GLN 22 1HE2 GLN 22 -21.911 3.183 9.112 180 2HE2 GLN 22 2HE2 GLN 22 -22.480 4.002 10.486 181 H GLU 23 HN GLU 23 -19.404 1.797 6.772 182 HA GLU 23 HA GLU 23 -17.513 2.262 4.720 183 1HB GLU 23 2HB GLU 23 -16.567 0.719 6.991 184 2HB GLU 23 1HB GLU 23 -16.476 -0.233 5.508 185 1HG GLU 23 2HG GLU 23 -14.747 0.996 4.737 186 2HG GLU 23 1HG GLU 23 -15.599 2.505 5.061 187 HA PRO 24 HA PRO 24 -20.164 -0.439 2.506 188 1HB PRO 24 2HB PRO 24 -18.062 -1.810 1.100 189 2HB PRO 24 1HB PRO 24 -19.072 -0.484 0.521 190 1HG PRO 24 2HG PRO 24 -16.293 -0.399 1.229 191 2HG PRO 24 1HG PRO 24 -17.307 0.931 0.668 192 1HD PRO 24 2HD PRO 24 -16.270 0.483 3.330 193 2HD PRO 24 1HD PRO 24 -17.269 1.840 2.758 194 H GLN 25 HN GLN 25 -20.836 -2.704 2.384 195 HA GLN 25 HA GLN 25 -20.410 -4.297 4.652 196 1HB GLN 25 2HB GLN 25 -21.108 -5.052 1.796 197 2HB GLN 25 1HB GLN 25 -21.353 -6.105 3.190 198 1HG GLN 25 2HG GLN 25 -22.850 -4.442 4.205 199 2HG GLN 25 1HG GLN 25 -22.577 -3.349 2.848 200 1HE2 GLN 25 1HE2 GLN 25 -25.199 -4.386 3.537 201 2HE2 GLN 25 2HE2 GLN 25 -25.714 -5.375 2.256 202 H GLU 26 HN GLU 26 -18.582 -4.203 1.627 203 HA GLU 26 HA GLU 26 -16.592 -5.319 0.989 204 1HB GLU 26 2HB GLU 26 -16.165 -3.792 3.087 205 2HB GLU 26 1HB GLU 26 -15.964 -5.327 3.931 206 1HG GLU 26 2HG GLU 26 -13.790 -5.027 3.227 207 2HG GLU 26 1HG GLU 26 -14.424 -5.844 1.799 208 HA PRO 27 HA PRO 27 -18.395 -9.345 2.734 209 1HB PRO 27 2HB PRO 27 -18.812 -10.134 0.000 210 2HB PRO 27 1HB PRO 27 -20.030 -9.830 1.240 211 1HG PRO 27 2HG PRO 27 -19.409 -8.215 -1.051 212 2HG PRO 27 1HG PRO 27 -20.618 -7.905 0.198 213 1HD PRO 27 2HD PRO 27 -18.104 -6.539 -0.223 214 2HD PRO 27 1HD PRO 27 -19.333 -6.211 1.022 215 H ARG 28 HN ARG 28 -16.217 -8.434 0.127 216 HA ARG 28 HA ARG 28 -14.412 -10.685 0.888 217 1HB ARG 28 2HB ARG 28 -15.397 -9.959 -1.890 218 2HB ARG 28 1HB ARG 28 -14.096 -11.106 -1.573 219 1HG ARG 28 2HG ARG 28 -15.683 -12.439 -0.166 220 2HG ARG 28 1HG ARG 28 -16.974 -11.336 -0.642 221 1HD ARG 28 2HD ARG 28 -16.473 -11.908 -3.054 222 2HD ARG 28 1HD ARG 28 -15.354 -13.151 -2.463 223 HE ARG 28 HE ARG 28 -18.135 -13.160 -1.401 224 1HH1 ARG 28 1HH1 ARG 28 -17.651 -14.085 -4.334 225 2HH1 ARG 28 2HH1 ARG 28 -17.561 -15.798 -4.097 226 1HH2 ARG 28 1HH2 ARG 28 -17.159 -15.570 -0.660 227 2HH2 ARG 28 2HH2 ARG 28 -17.282 -16.640 -2.018 228 H VAL 29 HN VAL 29 -12.164 -10.263 0.211 229 HA VAL 29 HA VAL 29 -11.631 -7.337 -0.170 230 HB VAL 29 HB VAL 29 -9.923 -9.528 1.055 231 1HG1 VAL 29 2HG1 VAL 29 -8.792 -7.459 0.068 232 2HG1 VAL 29 1HG1 VAL 29 -9.636 -6.527 1.305 233 3HG1 VAL 29 3HG1 VAL 29 -8.474 -7.768 1.775 234 1HG2 VAL 29 3HG2 VAL 29 -11.652 -7.394 2.344 235 2HG2 VAL 29 2HG2 VAL 29 -11.943 -9.133 2.388 236 3HG2 VAL 29 1HG2 VAL 29 -10.540 -8.452 3.213 237 H GLY 30 HN GLY 30 -10.557 -6.758 -2.026 238 1HA GLY 30 1HA GLY 30 -10.027 -7.434 -4.337 239 2HA GLY 30 2HA GLY 30 -9.415 -8.958 -3.694 240 H LYS 31 HN LYS 31 -8.807 -5.438 -3.545 241 HA LYS 31 HA LYS 31 -5.904 -5.965 -3.787 242 1HB LYS 31 2HB LYS 31 -7.638 -3.476 -3.788 243 2HB LYS 31 1HB LYS 31 -5.893 -3.454 -4.034 244 1HG LYS 31 2HG LYS 31 -6.201 -5.026 -5.962 245 2HG LYS 31 1HG LYS 31 -7.946 -4.877 -5.755 246 1HD LYS 31 2HD LYS 31 -7.740 -2.414 -6.077 247 2HD LYS 31 1HD LYS 31 -6.014 -2.622 -6.378 248 1HE LYS 31 2HE LYS 31 -6.831 -4.366 -8.186 249 2HE LYS 31 1HE LYS 31 -8.346 -3.448 -8.090 250 1HZ LYS 31 1HZ LYS 31 -5.737 -2.069 -8.274 251 2HZ LYS 31 3HZ LYS 31 -6.515 -2.614 -9.679 252 3HZ LYS 31 2HZ LYS 31 -7.280 -1.480 -8.671 253 H LEU 32 HN LEU 32 -4.376 -5.140 -2.227 254 HA LEU 32 HA LEU 32 -5.496 -4.950 0.529 255 1HB LEU 32 2HB LEU 32 -2.717 -5.434 -0.591 256 2HB LEU 32 1HB LEU 32 -3.107 -5.422 1.128 257 HG LEU 32 HG LEU 32 -4.886 -7.198 0.549 258 1HD1 LEU 32 3HD1 LEU 32 -3.398 -6.896 -2.022 259 2HD1 LEU 32 2HD1 LEU 32 -3.857 -8.527 -1.535 260 3HD1 LEU 32 1HD1 LEU 32 -5.095 -7.290 -1.747 261 1HD2 LEU 32 1HD2 LEU 32 -1.906 -7.703 0.366 262 2HD2 LEU 32 3HD2 LEU 32 -2.940 -7.847 1.788 263 3HD2 LEU 32 2HD2 LEU 32 -3.089 -9.008 0.468 264 H ARG 33 HN ARG 33 -5.289 -3.083 1.729 265 HA ARG 33 HA ARG 33 -3.889 -0.767 0.439 266 1HB ARG 33 2HB ARG 33 -6.231 -0.980 2.360 267 2HB ARG 33 1HB ARG 33 -5.528 0.548 1.829 268 1HG ARG 33 2HG ARG 33 -5.986 -0.124 -0.541 269 2HG ARG 33 1HG ARG 33 -6.811 -1.560 0.067 270 1HD ARG 33 2HD ARG 33 -8.502 0.139 -0.348 271 2HD ARG 33 1HD ARG 33 -8.309 0.008 1.411 272 HE ARG 33 HE ARG 33 -6.551 1.931 1.025 273 1HH1 ARG 33 1HH1 ARG 33 -8.233 1.620 -1.776 274 2HH1 ARG 33 2HH1 ARG 33 -8.986 3.179 -1.747 275 1HH2 ARG 33 1HH2 ARG 33 -8.049 3.865 1.520 276 2HH2 ARG 33 2HH2 ARG 33 -8.882 4.449 0.118 277 H ASN 34 HN ASN 34 -2.327 0.325 1.675 278 HA ASN 34 HA ASN 34 -1.882 -0.708 4.457 279 1HB ASN 34 2HB ASN 34 0.087 0.056 2.278 280 2HB ASN 34 1HB ASN 34 0.546 -0.392 3.920 281 1HD2 ASN 34 1HD2 ASN 34 1.201 -1.875 1.421 282 2HD2 ASN 34 2HD2 ASN 34 0.518 -3.419 1.598 283 H PHE 35 HN PHE 35 -2.567 0.994 5.741 284 HA PHE 35 HA PHE 35 -1.051 3.416 5.896 285 1HB PHE 35 2HB PHE 35 -2.229 3.787 3.726 286 2HB PHE 35 1HB PHE 35 -3.771 3.644 4.569 287 HD1 PHE 35 HD1 PHE 35 -0.660 5.656 4.304 288 HD2 PHE 35 HD2 PHE 35 -4.645 5.441 5.892 289 HE1 PHE 35 HE1 PHE 35 -0.534 8.048 4.944 290 HE2 PHE 35 HE2 PHE 35 -4.518 7.833 6.533 291 HZ PHE 35 HZ PHE 35 -2.462 9.137 6.059 292 H ALA 36 HN ALA 36 -1.557 2.033 8.022 293 HA ALA 36 HA ALA 36 -4.121 2.266 9.284 294 1HB ALA 36 1HB ALA 36 -2.993 1.323 11.110 295 2HB ALA 36 2HB ALA 36 -1.508 2.212 10.771 296 3HB ALA 36 3HB ALA 36 -1.963 0.838 9.762 297 HA PRO 37 HA PRO 37 -4.217 6.529 10.402 298 1HB PRO 37 2HB PRO 37 -5.618 5.949 12.845 299 2HB PRO 37 1HB PRO 37 -6.288 6.532 11.320 300 1HG PRO 37 2HG PRO 37 -6.569 3.925 12.479 301 2HG PRO 37 1HG PRO 37 -7.214 4.498 10.940 302 1HD PRO 37 2HD PRO 37 -5.028 2.651 11.384 303 2HD PRO 37 1HD PRO 37 -5.712 3.187 9.832 304 H ILE 38 HN ILE 38 -3.208 4.091 12.742 305 HA ILE 38 HA ILE 38 -0.787 5.062 13.559 306 HB ILE 38 HB ILE 38 -2.983 6.839 14.371 307 1HG1 ILE 38 2HG1 ILE 38 -1.395 8.451 14.062 308 2HG1 ILE 38 1HG1 ILE 38 -0.166 7.550 14.944 309 1HG2 ILE 38 2HG2 ILE 38 -1.083 5.743 16.446 310 2HG2 ILE 38 1HG2 ILE 38 -1.847 7.323 16.615 311 3HG2 ILE 38 3HG2 ILE 38 -2.840 5.869 16.533 312 1HD1 ILE 38 1HD1 ILE 38 -0.989 6.421 12.313 313 2HD1 ILE 38 3HD1 ILE 38 -0.068 7.921 12.272 314 3HD1 ILE 38 2HD1 ILE 38 0.606 6.496 13.058 315 HA PRO 39 HA PRO 39 -1.800 1.337 15.864 316 1HB PRO 39 2HB PRO 39 0.950 1.287 16.709 317 2HB PRO 39 1HB PRO 39 0.168 0.274 15.495 318 1HG PRO 39 2HG PRO 39 2.060 2.387 15.069 319 2HG PRO 39 1HG PRO 39 1.260 1.389 13.852 320 1HD PRO 39 2HD PRO 39 0.783 4.176 14.461 321 2HD PRO 39 1HD PRO 39 -0.001 3.177 13.214 322 H GLY 40 HN GLY 40 -1.913 0.855 18.161 323 1HA GLY 40 1HA GLY 40 -0.973 3.009 19.993 324 2HA GLY 40 2HA GLY 40 -1.398 1.371 20.489 325 H GLU 41 HN GLU 41 -3.695 2.263 18.292 326 HA GLU 41 HA GLU 41 -5.384 4.047 19.786 327 1HB GLU 41 2HB GLU 41 -5.323 2.641 17.306 328 2HB GLU 41 1HB GLU 41 -6.863 2.270 18.082 329 1HG GLU 41 2HG GLU 41 -7.637 4.314 17.549 330 2HG GLU 41 1HG GLU 41 -6.315 5.059 18.446 331 HA PRO 42 HA PRO 42 -6.868 1.311 22.935 332 1HB PRO 42 2HB PRO 42 -9.366 2.733 23.039 333 2HB PRO 42 1HB PRO 42 -7.992 2.868 24.138 334 1HG PRO 42 2HG PRO 42 -8.882 4.775 22.182 335 2HG PRO 42 1HG PRO 42 -7.504 4.909 23.279 336 1HD PRO 42 2HD PRO 42 -7.463 4.480 20.423 337 2HD PRO 42 1HD PRO 42 -6.074 4.621 21.527 338 H VAL 43 HN VAL 43 -7.444 -0.701 22.101 339 HA VAL 43 HA VAL 43 -10.107 -0.892 20.747 340 HB VAL 43 HB VAL 43 -7.496 -2.225 19.957 341 1HG1 VAL 43 2HG1 VAL 43 -9.574 -3.601 19.604 342 2HG1 VAL 43 1HG1 VAL 43 -10.199 -2.305 18.584 343 3HG1 VAL 43 3HG1 VAL 43 -8.742 -3.179 18.108 344 1HG2 VAL 43 3HG2 VAL 43 -8.928 0.224 19.092 345 2HG2 VAL 43 2HG2 VAL 43 -7.213 -0.173 18.988 346 3HG2 VAL 43 1HG2 VAL 43 -8.340 -0.812 17.791 347 H VAL 44 HN VAL 44 -11.292 -2.720 21.333 348 HA VAL 44 HA VAL 44 -11.912 -4.591 22.625 349 HB VAL 44 HB VAL 44 -8.958 -5.002 22.120 350 1HG1 VAL 44 2HG1 VAL 44 -10.907 -6.626 23.699 351 2HG1 VAL 44 1HG1 VAL 44 -9.775 -7.484 22.655 352 3HG1 VAL 44 3HG1 VAL 44 -9.170 -6.426 23.928 353 1HG2 VAL 44 1HG2 VAL 44 -11.519 -5.658 20.770 354 2HG2 VAL 44 3HG2 VAL 44 -9.930 -5.347 20.074 355 3HG2 VAL 44 2HG2 VAL 44 -10.297 -6.929 20.761 356 HA PRO 45 HA PRO 45 -10.032 -2.330 26.361 357 1HB PRO 45 2HB PRO 45 -12.725 -1.595 27.061 358 2HB PRO 45 1HB PRO 45 -11.394 -0.530 26.601 359 1HG PRO 45 2HG PRO 45 -13.732 -1.190 25.071 360 2HG PRO 45 1HG PRO 45 -12.396 -0.133 24.607 361 1HD PRO 45 2HD PRO 45 -13.009 -2.770 23.593 362 2HD PRO 45 1HD PRO 45 -11.675 -1.696 23.114 363 H ILE 46 HN ILE 46 -13.108 -4.082 25.939 364 HA ILE 46 HA ILE 46 -12.376 -5.819 28.269 365 HB ILE 46 HB ILE 46 -15.135 -4.760 27.574 366 1HG1 ILE 46 2HG1 ILE 46 -13.676 -2.908 28.253 367 2HG1 ILE 46 1HG1 ILE 46 -14.824 -3.273 29.542 368 1HG2 ILE 46 2HG2 ILE 46 -13.975 -6.413 29.813 369 2HG2 ILE 46 1HG2 ILE 46 -15.444 -5.467 30.058 370 3HG2 ILE 46 3HG2 ILE 46 -15.404 -6.735 28.833 371 1HD1 ILE 46 3HD1 ILE 46 -12.533 -4.938 29.914 372 2HD1 ILE 46 2HD1 ILE 46 -11.964 -3.287 29.661 373 3HD1 ILE 46 1HD1 ILE 46 -13.111 -3.636 30.955 374 H LEU 47 HN LEU 47 -13.955 -5.439 25.147 375 HA LEU 47 HA LEU 47 -13.516 -8.150 24.342 376 1HB LEU 47 2HB LEU 47 -15.882 -8.938 24.531 377 2HB LEU 47 1HB LEU 47 -15.164 -8.602 26.106 378 HG LEU 47 HG LEU 47 -16.301 -6.173 25.110 379 1HD1 LEU 47 3HD1 LEU 47 -17.642 -7.980 23.782 380 2HD1 LEU 47 2HD1 LEU 47 -18.396 -8.323 25.338 381 3HD1 LEU 47 1HD1 LEU 47 -18.533 -6.715 24.627 382 1HD2 LEU 47 1HD2 LEU 47 -16.353 -7.902 27.460 383 2HD2 LEU 47 3HD2 LEU 47 -16.482 -6.146 27.362 384 3HD2 LEU 47 2HD2 LEU 47 -17.920 -7.147 27.164 385 H CYS 48 HN CYS 48 -12.930 -6.910 22.424 386 HA CYS 48 HA CYS 48 -13.370 -5.975 20.298 387 1HB CYS 48 2HB CYS 48 -15.618 -7.701 21.091 388 2HB CYS 48 1HB CYS 48 -16.045 -6.507 19.865 389 H SER 49 HN SER 49 -13.375 -3.748 20.288 390 HA SER 49 HA SER 49 -15.505 -2.281 21.750 391 1HB SER 49 2HB SER 49 -13.972 -0.517 21.751 392 2HB SER 49 1HB SER 49 -12.895 -1.914 21.735 393 HG SER 49 HG SER 49 -12.203 -1.283 19.877 394 H ASN 50 HN ASN 50 -13.980 -2.191 18.521 395 HA ASN 50 HA ASN 50 -16.134 -0.565 17.397 396 1HB ASN 50 2HB ASN 50 -13.533 -1.751 16.605 397 2HB ASN 50 1HB ASN 50 -14.678 -1.483 15.291 398 1HD2 ASN 50 1HD2 ASN 50 -12.557 0.127 15.032 399 2HD2 ASN 50 2HD2 ASN 50 -12.862 1.704 15.579 400 HA PRO 51 HA PRO 51 -18.586 -4.316 16.735 401 1HB PRO 51 2HB PRO 51 -20.610 -2.599 15.626 402 2HB PRO 51 1HB PRO 51 -20.606 -3.396 17.202 403 1HG PRO 51 2HG PRO 51 -20.311 -0.608 16.667 404 2HG PRO 51 1HG PRO 51 -20.201 -1.417 18.232 405 1HD PRO 51 2HD PRO 51 -18.052 -0.275 16.629 406 2HD PRO 51 1HD PRO 51 -17.973 -0.942 18.274 407 H ASN 52 HN ASN 52 -17.424 -1.914 14.557 408 HA ASN 52 HA ASN 52 -18.242 -3.573 12.195 409 1HB ASN 52 2HB ASN 52 -17.566 -0.637 12.546 410 2HB ASN 52 1HB ASN 52 -17.839 -1.390 10.974 411 1HD2 ASN 52 1HD2 ASN 52 -19.574 0.673 11.884 412 2HD2 ASN 52 2HD2 ASN 52 -21.098 0.003 12.214 413 H PHE 53 HN PHE 53 -15.781 -3.693 14.103 414 HA PHE 53 HA PHE 53 -13.522 -3.014 12.356 415 1HB PHE 53 2HB PHE 53 -12.233 -3.622 14.229 416 2HB PHE 53 1HB PHE 53 -13.743 -3.109 14.981 417 HD1 PHE 53 HD1 PHE 53 -15.581 -5.281 14.687 418 HD2 PHE 53 HD2 PHE 53 -11.340 -5.459 15.363 419 HE1 PHE 53 HE1 PHE 53 -15.839 -7.521 15.711 420 HE2 PHE 53 HE2 PHE 53 -11.600 -7.710 16.395 421 HZ PHE 53 HZ PHE 53 -13.852 -8.733 16.564 422 HA PRO 54 HA PRO 54 -12.969 -6.797 10.200 423 1HB PRO 54 2HB PRO 54 -10.485 -7.614 11.419 424 2HB PRO 54 1HB PRO 54 -10.725 -6.852 9.845 425 1HG PRO 54 2HG PRO 54 -9.630 -5.675 12.235 426 2HG PRO 54 1HG PRO 54 -9.838 -4.926 10.653 427 1HD PRO 54 2HD PRO 54 -11.318 -4.387 13.054 428 2HD PRO 54 1HD PRO 54 -11.584 -3.685 11.441 429 H GLU 55 HN GLU 55 -14.796 -7.487 11.683 430 HA GLU 55 HA GLU 55 -14.773 -8.756 14.093 431 1HB GLU 55 2HB GLU 55 -16.665 -10.030 13.258 432 2HB GLU 55 1HB GLU 55 -16.671 -8.441 12.485 433 1HG GLU 55 2HG GLU 55 -15.560 -9.405 10.501 434 2HG GLU 55 1HG GLU 55 -15.537 -10.988 11.277 435 H GLU 56 HN GLU 56 -13.248 -9.994 11.168 436 HA GLU 56 HA GLU 56 -12.926 -12.721 11.809 437 1HB GLU 56 2HB GLU 56 -10.992 -10.717 10.588 438 2HB GLU 56 1HB GLU 56 -10.805 -12.468 10.486 439 1HG GLU 56 2HG GLU 56 -13.038 -12.602 9.378 440 2HG GLU 56 1HG GLU 56 -13.125 -10.841 9.402 441 H LEU 57 HN LEU 57 -11.648 -9.879 13.309 442 HA LEU 57 HA LEU 57 -9.499 -11.241 14.793 443 1HB LEU 57 2HB LEU 57 -10.770 -8.491 15.028 444 2HB LEU 57 1HB LEU 57 -9.280 -8.990 15.825 445 HG LEU 57 HG LEU 57 -9.659 -9.074 12.821 446 1HD1 LEU 57 1HD1 LEU 57 -9.858 -6.752 13.725 447 2HD1 LEU 57 3HD1 LEU 57 -8.283 -6.951 14.494 448 3HD1 LEU 57 2HD1 LEU 57 -8.414 -6.977 12.736 449 1HD2 LEU 57 3HD2 LEU 57 -7.878 -10.489 14.029 450 2HD2 LEU 57 2HD2 LEU 57 -7.310 -9.426 12.741 451 3HD2 LEU 57 1HD2 LEU 57 -7.103 -8.955 14.427 452 H LYS 58 HN LYS 58 -12.716 -11.544 14.997 453 HA LYS 58 HA LYS 58 -13.756 -10.929 17.447 454 1HB LYS 58 2HB LYS 58 -15.150 -12.214 16.136 455 2HB LYS 58 1HB LYS 58 -13.848 -13.282 15.619 456 1HG LYS 58 2HG LYS 58 -13.837 -14.256 17.952 457 2HG LYS 58 1HG LYS 58 -15.286 -13.309 18.287 458 1HD LYS 58 2HD LYS 58 -15.750 -14.609 15.820 459 2HD LYS 58 1HD LYS 58 -15.051 -15.825 16.888 460 1HE LYS 58 2HE LYS 58 -16.893 -15.851 18.249 461 2HE LYS 58 1HE LYS 58 -17.110 -14.093 18.140 462 1HZ LYS 58 2HZ LYS 58 -17.491 -15.723 15.725 463 2HZ LYS 58 1HZ LYS 58 -18.728 -15.719 16.889 464 3HZ LYS 58 3HZ LYS 58 -18.240 -14.263 16.167 465 HA PRO 59 HA PRO 59 -11.466 -14.756 19.463 466 1HB PRO 59 2HB PRO 59 -8.988 -14.961 18.006 467 2HB PRO 59 1HB PRO 59 -10.248 -16.184 18.197 468 1HG PRO 59 2HG PRO 59 -9.623 -14.592 15.860 469 2HG PRO 59 1HG PRO 59 -10.797 -15.901 16.014 470 1HD PRO 59 2HD PRO 59 -11.361 -13.130 15.718 471 2HD PRO 59 1HD PRO 59 -12.532 -14.416 16.086 472 H LEU 60 HN LEU 60 -9.496 -12.191 17.879 473 HA LEU 60 HA LEU 60 -7.641 -11.829 20.012 474 1HB LEU 60 2HB LEU 60 -8.738 -10.163 17.754 475 2HB LEU 60 1HB LEU 60 -7.581 -9.467 18.888 476 HG LEU 60 HG LEU 60 -6.216 -11.663 18.401 477 1HD1 LEU 60 3HD1 LEU 60 -8.170 -11.480 16.106 478 2HD1 LEU 60 2HD1 LEU 60 -6.592 -12.245 15.914 479 3HD1 LEU 60 1HD1 LEU 60 -7.751 -12.893 17.076 480 1HD2 LEU 60 2HD2 LEU 60 -6.481 -9.422 16.373 481 2HD2 LEU 60 1HD2 LEU 60 -5.477 -9.386 17.822 482 3HD2 LEU 60 3HD2 LEU 60 -5.100 -10.510 16.516 483 H CYS 61 HN CYS 61 -10.886 -10.473 19.458 484 HA CYS 61 HA CYS 61 -10.792 -8.508 21.554 485 1HB CYS 61 2HB CYS 61 -13.053 -10.029 20.222 486 2HB CYS 61 1HB CYS 61 -13.280 -8.611 21.246 487 H LYS 62 HN LYS 62 -11.471 -11.964 21.525 488 HA LYS 62 HA LYS 62 -12.647 -11.988 24.206 489 1HB LYS 62 2HB LYS 62 -11.628 -14.144 22.331 490 2HB LYS 62 1HB LYS 62 -12.546 -14.453 23.805 491 1HG LYS 62 2HG LYS 62 -14.397 -13.040 22.898 492 2HG LYS 62 1HG LYS 62 -13.487 -12.865 21.397 493 1HD LYS 62 2HD LYS 62 -13.483 -15.353 21.161 494 2HD LYS 62 1HD LYS 62 -14.500 -15.460 22.598 495 1HE LYS 62 2HE LYS 62 -16.319 -14.346 21.513 496 2HE LYS 62 1HE LYS 62 -15.284 -13.810 20.176 497 1HZ LYS 62 3HZ LYS 62 -15.277 -16.664 20.722 498 2HZ LYS 62 2HZ LYS 62 -16.739 -16.053 20.107 499 3HZ LYS 62 1HZ LYS 62 -15.295 -15.849 19.234 500 H GLU 63 HN GLU 63 -9.479 -11.622 23.123 501 HA GLU 63 HA GLU 63 -8.424 -12.853 25.649 502 1HB GLU 63 2HB GLU 63 -6.387 -13.358 24.330 503 2HB GLU 63 1HB GLU 63 -7.813 -14.107 23.611 504 1HG GLU 63 2HG GLU 63 -7.986 -12.017 22.143 505 2HG GLU 63 1HG GLU 63 -6.366 -11.610 22.706 506 HA PRO 64 HA PRO 64 -6.950 -8.833 26.680 507 1HB PRO 64 2HB PRO 64 -4.608 -9.911 27.953 508 2HB PRO 64 1HB PRO 64 -6.102 -9.357 28.712 509 1HG PRO 64 2HG PRO 64 -5.169 -12.052 28.443 510 2HG PRO 64 1HG PRO 64 -6.684 -11.501 29.162 511 1HD PRO 64 2HD PRO 64 -6.293 -12.862 26.631 512 2HD PRO 64 1HD PRO 64 -7.825 -12.370 27.389 513 H ASN 65 HN ASN 65 -5.308 -10.979 24.613 514 HA ASN 65 HA ASN 65 -2.882 -9.388 24.223 515 1HB ASN 65 2HB ASN 65 -4.190 -11.612 22.618 516 2HB ASN 65 1HB ASN 65 -2.536 -11.036 22.400 517 1HD2 ASN 65 1HD2 ASN 65 -3.790 -13.701 23.487 518 2HD2 ASN 65 2HD2 ASN 65 -2.925 -13.970 24.922 519 H ALA 66 HN ALA 66 -6.123 -9.425 22.927 520 HA ALA 66 HA ALA 66 -5.887 -8.356 20.368 521 1HB ALA 66 2HB ALA 66 -7.810 -8.516 22.496 522 2HB ALA 66 3HB ALA 66 -8.109 -8.360 20.764 523 3HB ALA 66 1HB ALA 66 -7.916 -6.916 21.759 524 H GLN 67 HN GLN 67 -5.583 -6.619 23.467 525 HA GLN 67 HA GLN 67 -5.414 -3.971 22.422 526 1HB GLN 67 2HB GLN 67 -4.200 -5.310 24.859 527 2HB GLN 67 1HB GLN 67 -4.265 -3.563 24.622 528 1HG GLN 67 2HG GLN 67 -6.726 -3.673 24.472 529 2HG GLN 67 1HG GLN 67 -6.663 -5.420 24.704 530 1HE2 GLN 67 1HE2 GLN 67 -8.073 -3.794 26.561 531 2HE2 GLN 67 2HE2 GLN 67 -7.239 -3.795 28.039 532 H GLU 68 HN GLU 68 -2.876 -6.418 23.015 533 HA GLU 68 HA GLU 68 -0.733 -4.645 22.095 534 1HB GLU 68 2HB GLU 68 -0.911 -7.616 22.700 535 2HB GLU 68 1HB GLU 68 0.594 -6.748 22.398 536 1HG GLU 68 2HG GLU 68 0.110 -5.261 24.319 537 2HG GLU 68 1HG GLU 68 -1.378 -6.156 24.627 538 H ILE 69 HN ILE 69 -2.603 -7.363 20.767 539 HA ILE 69 HA ILE 69 -1.108 -7.693 18.343 540 HB ILE 69 HB ILE 69 -4.019 -8.200 19.042 541 1HG1 ILE 69 2HG1 ILE 69 -1.641 -10.082 19.031 542 2HG1 ILE 69 1HG1 ILE 69 -2.290 -9.319 20.482 543 1HG2 ILE 69 3HG2 ILE 69 -2.382 -8.728 16.619 544 2HG2 ILE 69 2HG2 ILE 69 -3.382 -10.068 17.183 545 3HG2 ILE 69 1HG2 ILE 69 -4.127 -8.521 16.777 546 1HD1 ILE 69 3HD1 ILE 69 -3.888 -11.084 18.600 547 2HD1 ILE 69 2HD1 ILE 69 -3.185 -11.625 20.125 548 3HD1 ILE 69 1HD1 ILE 69 -4.453 -10.398 20.124 549 H LEU 70 HN LEU 70 -3.917 -5.654 19.157 550 HA LEU 70 HA LEU 70 -4.570 -4.721 16.570 551 1HB LEU 70 2HB LEU 70 -5.895 -4.331 18.597 552 2HB LEU 70 1HB LEU 70 -4.613 -3.319 19.263 553 HG LEU 70 HG LEU 70 -6.651 -2.195 18.029 554 1HD1 LEU 70 1HD1 LEU 70 -4.044 -1.440 18.603 555 2HD1 LEU 70 3HD1 LEU 70 -4.211 -1.044 16.892 556 3HD1 LEU 70 2HD1 LEU 70 -5.331 -0.358 18.069 557 1HD2 LEU 70 1HD2 LEU 70 -6.467 -3.589 15.996 558 2HD2 LEU 70 3HD2 LEU 70 -6.221 -1.884 15.617 559 3HD2 LEU 70 2HD2 LEU 70 -4.837 -2.972 15.723 560 H GLN 71 HN GLN 71 -2.318 -3.218 18.943 561 HA GLN 71 HA GLN 71 -1.452 -1.018 17.448 562 1HB GLN 71 2HB GLN 71 0.111 -2.925 19.220 563 2HB GLN 71 1HB GLN 71 0.652 -1.307 18.770 564 1HG GLN 71 2HG GLN 71 -1.378 -0.350 19.818 565 2HG GLN 71 1HG GLN 71 -1.887 -1.971 20.293 566 1HE2 GLN 71 1HE2 GLN 71 -1.469 -0.119 22.343 567 2HE2 GLN 71 2HE2 GLN 71 -0.045 -0.495 23.186 568 H ARG 72 HN ARG 72 0.078 -4.263 17.462 569 HA ARG 72 HA ARG 72 2.010 -3.844 15.469 570 1HB ARG 72 2HB ARG 72 0.316 -6.244 16.213 571 2HB ARG 72 1HB ARG 72 1.704 -6.348 15.130 572 1HG ARG 72 2HG ARG 72 3.050 -5.215 16.993 573 2HG ARG 72 1HG ARG 72 1.675 -5.544 18.046 574 1HD ARG 72 2HD ARG 72 3.199 -7.648 16.464 575 2HD ARG 72 1HD ARG 72 3.355 -7.361 18.208 576 HE ARG 72 HE ARG 72 0.739 -7.727 18.144 577 1HH1 ARG 72 1HH1 ARG 72 3.315 -9.597 16.945 578 2HH1 ARG 72 2HH1 ARG 72 2.317 -10.894 16.381 579 1HH2 ARG 72 1HH2 ARG 72 -0.660 -9.262 17.089 580 2HH2 ARG 72 2HH2 ARG 72 0.065 -10.704 16.462 581 H LEU 73 HN LEU 73 -1.292 -5.172 14.981 582 HA LEU 73 HA LEU 73 -1.319 -5.399 12.200 583 1HB LEU 73 2HB LEU 73 -3.463 -4.404 14.106 584 2HB LEU 73 1HB LEU 73 -3.776 -4.974 12.466 585 HG LEU 73 HG LEU 73 -2.613 -6.574 14.764 586 1HD1 LEU 73 3HD1 LEU 73 -5.223 -6.503 13.279 587 2HD1 LEU 73 2HD1 LEU 73 -4.662 -8.025 13.972 588 3HD1 LEU 73 1HD1 LEU 73 -4.934 -6.629 15.014 589 1HD2 LEU 73 2HD2 LEU 73 -2.382 -6.892 11.861 590 2HD2 LEU 73 1HD2 LEU 73 -1.507 -7.716 13.153 591 3HD2 LEU 73 3HD2 LEU 73 -3.092 -8.302 12.648 592 H GLU 74 HN GLU 74 -2.182 -2.474 14.093 593 HA GLU 74 HA GLU 74 -2.718 -0.720 11.956 594 1HB GLU 74 2HB GLU 74 -1.338 -0.207 14.609 595 2HB GLU 74 1HB GLU 74 -2.117 1.024 13.617 596 1HG GLU 74 2HG GLU 74 -3.455 -1.365 14.917 597 2HG GLU 74 1HG GLU 74 -3.668 0.329 15.358 598 H GLU 75 HN GLU 75 0.454 -1.225 13.608 599 HA GLU 75 HA GLU 75 2.011 0.509 12.033 600 1HB GLU 75 2HB GLU 75 2.648 -0.720 14.119 601 2HB GLU 75 1HB GLU 75 2.756 -2.204 13.173 602 1HG GLU 75 2HG GLU 75 4.468 -1.115 11.723 603 2HG GLU 75 1HG GLU 75 4.399 0.313 12.756 604 H ILE 76 HN ILE 76 1.636 -3.036 11.534 605 HA ILE 76 HA ILE 76 3.003 -3.144 9.039 606 HB ILE 76 HB ILE 76 0.729 -4.792 10.195 607 1HG1 ILE 76 2HG1 ILE 76 3.748 -5.053 10.252 608 2HG1 ILE 76 1HG1 ILE 76 2.676 -4.806 11.630 609 1HG2 ILE 76 2HG2 ILE 76 2.620 -5.340 7.888 610 2HG2 ILE 76 1HG2 ILE 76 1.602 -6.566 8.642 611 3HG2 ILE 76 3HG2 ILE 76 0.863 -5.201 7.805 612 1HD1 ILE 76 3HD1 ILE 76 1.547 -7.029 10.770 613 2HD1 ILE 76 2HD1 ILE 76 3.102 -7.276 9.976 614 3HD1 ILE 76 1HD1 ILE 76 3.023 -7.112 11.730 615 H ALA 77 HN ALA 77 -0.360 -2.397 9.847 616 HA ALA 77 HA ALA 77 -1.510 -2.469 7.251 617 1HB ALA 77 3HB ALA 77 -2.024 -1.280 9.900 618 2HB ALA 77 1HB ALA 77 -3.139 -2.098 8.806 619 3HB ALA 77 2HB ALA 77 -2.760 -0.393 8.566 620 H GLU 78 HN GLU 78 0.425 0.010 8.880 621 HA GLU 78 HA GLU 78 0.019 2.166 7.064 622 1HB GLU 78 2HB GLU 78 1.126 2.198 9.319 623 2HB GLU 78 1HB GLU 78 2.522 1.396 8.598 624 1HG GLU 78 2HG GLU 78 2.992 3.760 8.615 625 2HG GLU 78 1HG GLU 78 2.645 3.312 6.945 626 H ASP 79 HN ASP 79 2.365 -0.526 7.005 627 HA ASP 79 HA ASP 79 2.741 -0.059 4.090 628 1HB ASP 79 2HB ASP 79 4.548 0.725 6.183 629 2HB ASP 79 1HB ASP 79 5.299 -0.566 5.245 630 HA PRO 80 HA PRO 80 2.702 -4.445 3.860 631 1HB PRO 80 2HB PRO 80 4.865 -4.542 1.966 632 2HB PRO 80 1HB PRO 80 3.133 -4.658 1.647 633 1HG PRO 80 2HG PRO 80 4.904 -2.453 1.082 634 2HG PRO 80 1HG PRO 80 3.185 -2.598 0.705 635 1HD PRO 80 2HD PRO 80 4.400 -0.913 2.685 636 2HD PRO 80 1HD PRO 80 2.662 -1.134 2.374 637 H GLY 81 HN GLY 81 6.109 -3.322 3.530 638 1HA GLY 81 1HA GLY 81 6.836 -4.646 6.035 639 2HA GLY 81 2HA GLY 81 7.938 -3.789 4.956 640 H THR 82 HN THR 82 7.873 -6.619 6.222 641 HA THR 82 HA THR 82 9.021 -7.974 3.887 642 HB THR 82 HB THR 82 9.609 -9.654 5.574 643 HG1 THR 82 1HG THR 82 7.593 -9.540 6.690 644 1HG2 THR 82 1HG2 THR 82 10.017 -6.757 6.048 645 2HG2 THR 82 3HG2 THR 82 10.410 -7.820 7.399 646 3HG2 THR 82 2HG2 THR 82 11.205 -8.044 5.841 647 H CYS 83 HN CYS 83 5.972 -7.913 5.557 648 HA CYS 83 HA CYS 83 4.937 -10.488 5.026 649 1HB CYS 83 2HB CYS 83 3.898 -8.678 6.390 650 2HB CYS 83 1HB CYS 83 3.531 -7.800 4.906 651 H GLU 84 HN GLU 84 4.621 -7.554 2.986 652 HA GLU 84 HA GLU 84 3.324 -8.802 0.789 653 1HB GLU 84 2HB GLU 84 3.552 -6.363 1.263 654 2HB GLU 84 1HB GLU 84 5.255 -6.464 0.815 655 1HG GLU 84 2HG GLU 84 4.574 -7.307 -1.433 656 2HG GLU 84 1HG GLU 84 2.886 -7.087 -0.976 657 H ILE 85 HN ILE 85 6.756 -8.719 1.664 658 HA ILE 85 HA ILE 85 7.469 -9.887 -0.982 659 HB ILE 85 HB ILE 85 9.723 -9.303 -0.351 660 1HG1 ILE 85 2HG1 ILE 85 8.544 -8.968 2.415 661 2HG1 ILE 85 1HG1 ILE 85 9.801 -10.099 1.917 662 1HG2 ILE 85 3HG2 ILE 85 7.582 -7.439 -0.345 663 2HG2 ILE 85 2HG2 ILE 85 8.699 -6.934 0.924 664 3HG2 ILE 85 1HG2 ILE 85 9.275 -7.130 -0.732 665 1HD1 ILE 85 1HD1 ILE 85 11.001 -7.833 1.157 666 2HD1 ILE 85 3HD1 ILE 85 9.976 -7.160 2.423 667 3HD1 ILE 85 2HD1 ILE 85 11.133 -8.434 2.810 668 H CYS 86 HN CYS 86 6.155 -11.174 1.615 669 HA CYS 86 HA CYS 86 6.226 -13.304 2.632 670 1HB CYS 86 2HB CYS 86 6.802 -13.466 -0.108 671 2HB CYS 86 1HB CYS 86 8.021 -14.481 0.663 672 H ALA 87 HN ALA 87 8.645 -11.265 2.838 673 HA ALA 87 HA ALA 87 11.000 -12.853 3.322 674 1HB ALA 87 2HB ALA 87 11.310 -10.618 4.845 675 2HB ALA 87 3HB ALA 87 9.994 -10.099 3.791 676 3HB ALA 87 1HB ALA 87 11.524 -10.630 3.094 677 H TYR 88 HN TYR 88 8.086 -12.421 5.093 678 HA TYR 88 HA TYR 88 9.272 -13.889 7.408 679 1HB TYR 88 2HB TYR 88 8.398 -11.135 7.282 680 2HB TYR 88 1HB TYR 88 7.386 -12.032 8.413 681 HD1 TYR 88 HD1 TYR 88 11.003 -11.698 7.458 682 HD2 TYR 88 HD2 TYR 88 8.137 -12.267 10.606 683 HE1 TYR 88 HE1 TYR 88 12.832 -11.648 9.132 684 HE2 TYR 88 HE2 TYR 88 9.966 -12.217 12.281 685 HH TYR 88 HH TYR 88 12.606 -12.776 12.134 686 H ALA 89 HN ALA 89 7.430 -14.735 8.842 687 HA ALA 89 HA ALA 89 5.445 -16.069 7.176 688 1HB ALA 89 1HB ALA 89 6.251 -17.342 8.964 689 2HB ALA 89 2HB ALA 89 4.726 -16.752 9.626 690 3HB ALA 89 3HB ALA 89 6.243 -15.970 10.071 691 H ALA 90 HN ALA 90 5.538 -12.960 8.263 692 HA ALA 90 HA ALA 90 2.997 -12.514 9.485 693 1HB ALA 90 2HB ALA 90 4.364 -10.603 7.596 694 2HB ALA 90 1HB ALA 90 3.520 -10.244 9.104 695 3HB ALA 90 3HB ALA 90 5.104 -11.019 9.141 696 H CYS 91 HN CYS 91 3.962 -12.752 6.074 697 HA CYS 91 HA CYS 91 1.146 -12.211 5.248 698 1HB CYS 91 2HB CYS 91 3.760 -11.601 4.267 699 2HB CYS 91 1HB CYS 91 2.939 -12.588 3.060 700 H THR 92 HN THR 92 -0.118 -13.958 4.808 701 HA THR 92 HA THR 92 1.217 -16.550 4.106 702 HB THR 92 HB THR 92 -0.682 -17.583 5.165 703 HG1 THR 92 1HG THR 92 -2.364 -16.385 4.453 704 1HG2 THR 92 1HG2 THR 92 0.985 -15.746 6.489 705 2HG2 THR 92 3HG2 THR 92 -0.632 -15.460 7.130 706 3HG2 THR 92 2HG2 THR 92 0.078 -17.072 7.219 707 H GLY 93 HN GLY 93 0.207 -17.810 2.390 708 1HA GLY 93 1HA GLY 93 -1.872 -16.476 0.765 709 2HA GLY 93 2HA GLY 93 -1.264 -18.114 0.521 710 H CYS 94 HN CYS 94 1.482 -17.619 0.431 711 HA CYS 94 HA CYS 94 2.488 -15.514 -1.095 712 1HB CYS 94 2HB CYS 94 3.080 -18.400 -0.693 713 2HB CYS 94 1HB CYS 94 3.873 -17.630 -2.067 No H/Q in entry = 713 Start of MODEL 19 1 H1 VAL 1 2H VAL 1 -2.981 -9.336 -0.506 2 H2 VAL 1 1H VAL 1 -1.338 -8.943 -0.329 3 H3 VAL 1 3H VAL 1 -1.814 -10.085 -1.489 4 HA VAL 1 HA VAL 1 -2.155 -11.743 0.049 5 HB VAL 1 HB VAL 1 -0.135 -9.998 1.467 6 1HG1 VAL 1 1HG1 VAL 1 -0.724 -12.903 1.184 7 2HG1 VAL 1 3HG1 VAL 1 0.976 -12.439 1.228 8 3HG1 VAL 1 2HG1 VAL 1 -0.088 -12.015 2.569 9 1HG2 VAL 1 3HG2 VAL 1 -0.026 -11.255 -1.266 10 2HG2 VAL 1 2HG2 VAL 1 0.507 -9.650 -0.766 11 3HG2 VAL 1 1HG2 VAL 1 1.446 -11.071 -0.313 12 H THR 2 HN THR 2 -2.071 -12.123 2.641 13 HA THR 2 HA THR 2 -3.933 -10.116 3.874 14 HB THR 2 HB THR 2 -3.940 -13.135 4.171 15 HG1 THR 2 1HG THR 2 -5.931 -11.707 2.840 16 1HG2 THR 2 3HG2 THR 2 -4.891 -11.692 6.037 17 2HG2 THR 2 2HG2 THR 2 -6.089 -11.127 4.874 18 3HG2 THR 2 1HG2 THR 2 -6.023 -12.834 5.311 19 H VAL 3 HN VAL 3 -3.530 -9.616 6.028 20 HA VAL 3 HA VAL 3 -0.908 -10.371 7.128 21 HB VAL 3 HB VAL 3 -3.210 -8.682 8.170 22 1HG1 VAL 3 3HG1 VAL 3 -0.330 -8.945 9.084 23 2HG1 VAL 3 2HG1 VAL 3 -1.447 -7.703 9.649 24 3HG1 VAL 3 1HG1 VAL 3 -1.766 -9.401 10.000 25 1HG2 VAL 3 3HG2 VAL 3 -2.121 -7.954 6.009 26 2HG2 VAL 3 2HG2 VAL 3 -1.964 -6.792 7.327 27 3HG2 VAL 3 1HG2 VAL 3 -0.600 -7.823 6.892 28 H GLN 4 HN GLN 4 -0.689 -12.244 8.322 29 HA GLN 4 HA GLN 4 -3.117 -13.264 9.754 30 1HB GLN 4 2HB GLN 4 -2.178 -14.638 7.907 31 2HB GLN 4 1HB GLN 4 -0.638 -14.706 8.763 32 1HG GLN 4 2HG GLN 4 -1.933 -15.683 10.736 33 2HG GLN 4 1HG GLN 4 -3.296 -15.864 9.632 34 1HE2 GLN 4 1HE2 GLN 4 -3.374 -17.982 8.881 35 2HE2 GLN 4 2HE2 GLN 4 -2.024 -18.922 8.461 36 H ASP 5 HN ASP 5 -3.005 -13.444 11.939 37 HA ASP 5 HA ASP 5 -0.503 -12.653 13.322 38 1HB ASP 5 2HB ASP 5 -3.377 -13.136 14.158 39 2HB ASP 5 1HB ASP 5 -2.107 -12.692 15.298 40 H GLY 6 HN GLY 6 -2.928 -15.010 14.377 41 1HA GLY 6 1HA GLY 6 -2.338 -16.963 15.695 42 2HA GLY 6 2HA GLY 6 -0.717 -16.899 15.002 43 H ASN 7 HN ASN 7 -3.462 -18.681 14.926 44 HA ASN 7 HA ASN 7 -2.721 -19.951 12.375 45 1HB ASN 7 2HB ASN 7 -4.842 -20.515 14.473 46 2HB ASN 7 1HB ASN 7 -4.444 -21.592 13.134 47 1HD2 ASN 7 1HD2 ASN 7 -4.107 -22.409 15.870 48 2HD2 ASN 7 2HD2 ASN 7 -2.447 -22.593 16.170 49 H PHE 8 HN PHE 8 -4.395 -17.234 12.903 50 HA PHE 8 HA PHE 8 -6.484 -17.875 10.845 51 1HB PHE 8 2HB PHE 8 -6.500 -15.932 13.179 52 2HB PHE 8 1HB PHE 8 -7.810 -16.108 12.011 53 HD1 PHE 8 HD1 PHE 8 -9.105 -18.222 11.882 54 HD2 PHE 8 HD2 PHE 8 -6.116 -17.582 14.899 55 HE1 PHE 8 HE1 PHE 8 -10.008 -20.131 13.182 56 HE2 PHE 8 HE2 PHE 8 -7.017 -19.492 16.198 57 HZ PHE 8 HZ PHE 8 -8.964 -20.766 15.340 58 H SER 9 HN SER 9 -6.525 -16.526 9.054 59 HA SER 9 HA SER 9 -4.348 -14.543 8.779 60 1HB SER 9 2HB SER 9 -4.898 -14.694 6.439 61 2HB SER 9 1HB SER 9 -5.012 -16.330 7.087 62 HG SER 9 HG SER 9 -6.857 -16.024 5.963 63 H PHE 10 HN PHE 10 -4.704 -12.370 9.035 64 HA PHE 10 HA PHE 10 -7.546 -11.405 9.064 65 1HB PHE 10 2HB PHE 10 -5.055 -10.458 10.517 66 2HB PHE 10 1HB PHE 10 -6.642 -9.704 10.652 67 HD1 PHE 10 HD1 PHE 10 -8.112 -12.496 10.403 68 HD2 PHE 10 HD2 PHE 10 -4.976 -10.980 12.918 69 HE1 PHE 10 HE1 PHE 10 -8.748 -14.114 12.172 70 HE2 PHE 10 HE2 PHE 10 -5.611 -12.599 14.685 71 HZ PHE 10 HZ PHE 10 -7.499 -14.163 14.314 72 H SER 11 HN SER 11 -8.039 -9.943 7.457 73 HA SER 11 HA SER 11 -6.166 -9.055 5.494 74 1HB SER 11 2HB SER 11 -8.628 -9.214 5.227 75 2HB SER 11 1HB SER 11 -8.832 -7.890 6.374 76 HG SER 11 HG SER 11 -7.990 -6.495 4.954 77 H LEU 12 HN LEU 12 -5.369 -6.826 5.162 78 HA LEU 12 HA LEU 12 -4.755 -5.495 7.755 79 1HB LEU 12 2HB LEU 12 -2.788 -4.807 6.698 80 2HB LEU 12 1HB LEU 12 -3.104 -6.336 5.885 81 HG LEU 12 HG LEU 12 -4.177 -3.746 4.770 82 1HD1 LEU 12 3HD1 LEU 12 -1.404 -4.553 5.000 83 2HD1 LEU 12 2HD1 LEU 12 -1.892 -4.489 3.307 84 3HD1 LEU 12 1HD1 LEU 12 -2.073 -3.066 4.332 85 1HD2 LEU 12 2HD2 LEU 12 -3.585 -6.519 3.725 86 2HD2 LEU 12 1HD2 LEU 12 -5.127 -5.666 3.731 87 3HD2 LEU 12 3HD2 LEU 12 -3.841 -5.152 2.641 88 H GLU 13 HN GLU 13 -6.465 -4.957 4.737 89 HA GLU 13 HA GLU 13 -6.607 -2.138 4.654 90 1HB GLU 13 2HB GLU 13 -8.607 -4.311 3.966 91 2HB GLU 13 1HB GLU 13 -8.789 -2.627 3.475 92 1HG GLU 13 2HG GLU 13 -6.564 -2.760 2.347 93 2HG GLU 13 1HG GLU 13 -6.493 -4.473 2.756 94 H SER 14 HN SER 14 -9.218 -4.229 5.944 95 HA SER 14 HA SER 14 -10.699 -2.234 7.258 96 1HB SER 14 2HB SER 14 -10.238 -5.047 8.275 97 2HB SER 14 1HB SER 14 -11.704 -4.078 8.419 98 HG SER 14 HG SER 14 -12.162 -5.256 6.697 99 H VAL 15 HN VAL 15 -7.896 -4.080 8.457 100 HA VAL 15 HA VAL 15 -7.953 -3.208 11.155 101 HB VAL 15 HB VAL 15 -5.849 -4.100 9.197 102 1HG1 VAL 15 1HG1 VAL 15 -4.844 -2.414 10.794 103 2HG1 VAL 15 3HG1 VAL 15 -5.332 -3.472 12.118 104 3HG1 VAL 15 2HG1 VAL 15 -4.160 -4.033 10.926 105 1HG2 VAL 15 3HG2 VAL 15 -7.500 -5.210 11.397 106 2HG2 VAL 15 2HG2 VAL 15 -6.891 -5.997 9.940 107 3HG2 VAL 15 1HG2 VAL 15 -5.834 -5.788 11.334 108 H LYS 16 HN LYS 16 -6.343 -1.737 8.306 109 HA LYS 16 HA LYS 16 -5.181 0.489 9.645 110 1HB LYS 16 2HB LYS 16 -4.727 -0.197 7.310 111 2HB LYS 16 1HB LYS 16 -6.374 0.244 6.859 112 1HG LYS 16 2HG LYS 16 -5.933 2.581 7.510 113 2HG LYS 16 1HG LYS 16 -4.291 2.146 7.980 114 1HD LYS 16 2HD LYS 16 -3.996 1.287 5.582 115 2HD LYS 16 1HD LYS 16 -5.503 2.123 5.209 116 1HE LYS 16 2HE LYS 16 -3.899 3.962 6.672 117 2HE LYS 16 1HE LYS 16 -2.859 3.241 5.429 118 1HZ LYS 16 2HZ LYS 16 -5.085 3.522 4.041 119 2HZ LYS 16 1HZ LYS 16 -5.315 4.806 5.129 120 3HZ LYS 16 3HZ LYS 16 -3.935 4.768 4.145 121 H LYS 17 HN LYS 17 -8.317 0.268 7.918 122 HA LYS 17 HA LYS 17 -9.245 2.826 9.010 123 1HB LYS 17 2HB LYS 17 -10.703 0.607 7.533 124 2HB LYS 17 1HB LYS 17 -11.243 2.278 7.703 125 1HG LYS 17 2HG LYS 17 -9.235 3.041 6.472 126 2HG LYS 17 1HG LYS 17 -8.724 1.365 6.280 127 1HD LYS 17 2HD LYS 17 -10.894 0.902 5.105 128 2HD LYS 17 1HD LYS 17 -11.256 2.626 5.186 129 1HE LYS 17 2HE LYS 17 -8.992 1.276 3.686 130 2HE LYS 17 1HE LYS 17 -10.269 2.320 3.033 131 1HZ LYS 17 2HZ LYS 17 -9.390 4.038 4.676 132 2HZ LYS 17 1HZ LYS 17 -8.009 3.058 4.803 133 3HZ LYS 17 3HZ LYS 17 -8.433 3.734 3.306 134 H LEU 18 HN LEU 18 -8.695 0.088 10.591 135 HA LEU 18 HA LEU 18 -11.129 -0.771 11.770 136 1HB LEU 18 2HB LEU 18 -8.819 -1.796 11.842 137 2HB LEU 18 1HB LEU 18 -8.373 -0.564 13.024 138 HG LEU 18 HG LEU 18 -10.812 -2.265 13.479 139 1HD1 LEU 18 2HD1 LEU 18 -7.921 -3.008 14.023 140 2HD1 LEU 18 1HD1 LEU 18 -9.295 -3.798 14.800 141 3HD1 LEU 18 3HD1 LEU 18 -9.088 -3.908 13.051 142 1HD2 LEU 18 3HD2 LEU 18 -9.071 -0.413 14.987 143 2HD2 LEU 18 2HD2 LEU 18 -10.778 -0.791 15.217 144 3HD2 LEU 18 1HD2 LEU 18 -9.541 -1.867 15.866 145 H LYS 19 HN LYS 19 -8.920 1.888 12.653 146 HA LYS 19 HA LYS 19 -9.967 2.665 15.137 147 1HB LYS 19 2HB LYS 19 -8.010 3.624 13.897 148 2HB LYS 19 1HB LYS 19 -9.137 4.449 12.822 149 1HG LYS 19 2HG LYS 19 -10.084 5.682 14.716 150 2HG LYS 19 1HG LYS 19 -9.031 4.814 15.833 151 1HD LYS 19 2HD LYS 19 -7.990 6.941 15.401 152 2HD LYS 19 1HD LYS 19 -7.060 5.727 14.522 153 1HE LYS 19 2HE LYS 19 -9.316 6.846 12.978 154 2HE LYS 19 1HE LYS 19 -8.052 8.024 13.380 155 1HZ LYS 19 2HZ LYS 19 -7.174 5.360 12.572 156 2HZ LYS 19 1HZ LYS 19 -7.833 6.335 11.346 157 3HZ LYS 19 3HZ LYS 19 -6.488 6.875 12.228 158 H ASP 20 HN ASP 20 -11.165 3.475 11.882 159 HA ASP 20 HA ASP 20 -13.864 3.975 13.011 160 1HB ASP 20 2HB ASP 20 -13.899 6.190 11.801 161 2HB ASP 20 1HB ASP 20 -12.751 6.136 13.140 162 H LEU 21 HN LEU 21 -15.496 3.606 11.430 163 HA LEU 21 HA LEU 21 -14.502 2.398 8.889 164 1HB LEU 21 2HB LEU 21 -15.982 1.207 10.621 165 2HB LEU 21 1HB LEU 21 -17.280 2.269 10.072 166 HG LEU 21 HG LEU 21 -16.760 1.474 7.707 167 1HD1 LEU 21 2HD1 LEU 21 -15.122 -0.515 9.304 168 2HD1 LEU 21 1HD1 LEU 21 -15.601 -0.766 7.626 169 3HD1 LEU 21 3HD1 LEU 21 -14.539 0.577 8.048 170 1HD2 LEU 21 1HD2 LEU 21 -18.413 0.448 9.644 171 2HD2 LEU 21 3HD2 LEU 21 -18.420 -0.057 7.954 172 3HD2 LEU 21 2HD2 LEU 21 -17.509 -0.982 9.149 173 H GLN 22 HN GLN 22 -14.790 3.509 7.019 174 HA GLN 22 HA GLN 22 -17.078 5.406 6.772 175 1HB GLN 22 2HB GLN 22 -14.144 5.988 6.246 176 2HB GLN 22 1HB GLN 22 -15.468 7.082 5.844 177 1HG GLN 22 2HG GLN 22 -16.118 7.180 8.219 178 2HG GLN 22 1HG GLN 22 -14.813 6.066 8.628 179 1HE2 GLN 22 1HE2 GLN 22 -14.923 8.716 9.732 180 2HE2 GLN 22 2HE2 GLN 22 -13.618 9.607 9.112 181 H GLU 23 HN GLU 23 -17.594 5.839 4.484 182 HA GLU 23 HA GLU 23 -17.887 5.121 2.247 183 1HB GLU 23 2HB GLU 23 -15.116 4.028 2.214 184 2HB GLU 23 1HB GLU 23 -15.879 5.178 1.117 185 1HG GLU 23 2HG GLU 23 -15.825 6.733 3.281 186 2HG GLU 23 1HG GLU 23 -14.479 5.677 3.711 187 HA PRO 24 HA PRO 24 -18.624 0.789 1.939 188 1HB PRO 24 2HB PRO 24 -16.839 0.089 -0.207 189 2HB PRO 24 1HB PRO 24 -18.576 0.394 -0.291 190 1HG PRO 24 2HG PRO 24 -16.457 2.050 -1.278 191 2HG PRO 24 1HG PRO 24 -18.191 2.378 -1.319 192 1HD PRO 24 2HD PRO 24 -16.170 3.628 0.336 193 2HD PRO 24 1HD PRO 24 -17.905 4.011 0.247 194 H GLN 25 HN GLN 25 -17.780 -1.267 2.634 195 HA GLN 25 HA GLN 25 -15.561 -1.266 4.374 196 1HB GLN 25 2HB GLN 25 -16.902 -3.495 2.817 197 2HB GLN 25 1HB GLN 25 -15.817 -3.757 4.181 198 1HG GLN 25 2HG GLN 25 -17.328 -2.376 5.605 199 2HG GLN 25 1HG GLN 25 -18.434 -2.222 4.240 200 1HE2 GLN 25 1HE2 GLN 25 -20.010 -3.834 4.090 201 2HE2 GLN 25 2HE2 GLN 25 -19.932 -5.344 4.860 202 H GLU 26 HN GLU 26 -15.729 -2.089 0.930 203 HA GLU 26 HA GLU 26 -12.739 -2.043 0.853 204 1HB GLU 26 2HB GLU 26 -14.678 -4.188 0.094 205 2HB GLU 26 1HB GLU 26 -13.248 -3.987 -0.918 206 1HG GLU 26 2HG GLU 26 -11.924 -3.985 1.310 207 2HG GLU 26 1HG GLU 26 -13.390 -4.660 2.020 208 HA PRO 27 HA PRO 27 -14.688 0.706 -2.349 209 1HB PRO 27 2HB PRO 27 -12.367 2.368 -1.993 210 2HB PRO 27 1HB PRO 27 -14.036 2.718 -1.535 211 1HG PRO 27 2HG PRO 27 -11.829 2.121 0.195 212 2HG PRO 27 1HG PRO 27 -13.504 2.437 0.651 213 1HD PRO 27 2HD PRO 27 -12.084 -0.088 0.697 214 2HD PRO 27 1HD PRO 27 -13.756 0.240 1.209 215 H ARG 28 HN ARG 28 -14.056 0.707 -4.535 216 HA ARG 28 HA ARG 28 -11.714 -0.949 -5.239 217 1HB ARG 28 2HB ARG 28 -13.909 0.395 -6.850 218 2HB ARG 28 1HB ARG 28 -12.731 -0.739 -7.509 219 1HG ARG 28 2HG ARG 28 -13.527 -2.451 -5.871 220 2HG ARG 28 1HG ARG 28 -14.770 -1.319 -5.339 221 1HD ARG 28 2HD ARG 28 -15.594 -1.225 -7.733 222 2HD ARG 28 1HD ARG 28 -14.469 -2.547 -8.101 223 HE ARG 28 HE ARG 28 -16.183 -3.026 -5.761 224 1HH1 ARG 28 1HH1 ARG 28 -15.836 -3.226 -9.187 225 2HH1 ARG 28 2HH1 ARG 28 -16.883 -4.596 -9.344 226 1HH2 ARG 28 1HH2 ARG 28 -17.506 -4.851 -5.944 227 2HH2 ARG 28 2HH2 ARG 28 -17.827 -5.517 -7.511 228 H VAL 29 HN VAL 29 -10.096 -0.171 -6.780 229 HA VAL 29 HA VAL 29 -8.379 1.449 -7.167 230 HB VAL 29 HB VAL 29 -9.770 1.519 -9.131 231 1HG1 VAL 29 2HG1 VAL 29 -11.583 3.286 -7.465 232 2HG1 VAL 29 1HG1 VAL 29 -11.766 3.052 -9.203 233 3HG1 VAL 29 3HG1 VAL 29 -11.956 1.685 -8.104 234 1HG2 VAL 29 2HG2 VAL 29 -9.122 4.258 -8.028 235 2HG2 VAL 29 1HG2 VAL 29 -8.184 3.300 -9.171 236 3HG2 VAL 29 3HG2 VAL 29 -9.714 4.019 -9.671 237 H GLY 30 HN GLY 30 -7.982 2.127 -4.922 238 1HA GLY 30 1HA GLY 30 -9.079 3.727 -3.147 239 2HA GLY 30 2HA GLY 30 -8.917 4.912 -4.442 240 H LYS 31 HN LYS 31 -7.561 4.585 -1.714 241 HA LYS 31 HA LYS 31 -4.865 5.323 -2.648 242 1HB LYS 31 2HB LYS 31 -6.090 5.123 0.123 243 2HB LYS 31 1HB LYS 31 -4.594 5.962 -0.289 244 1HG LYS 31 2HG LYS 31 -7.317 6.641 -1.444 245 2HG LYS 31 1HG LYS 31 -6.557 7.505 -0.107 246 1HD LYS 31 2HD LYS 31 -4.588 7.951 -1.615 247 2HD LYS 31 1HD LYS 31 -5.513 7.251 -2.943 248 1HE LYS 31 2HE LYS 31 -7.228 8.964 -2.728 249 2HE LYS 31 1HE LYS 31 -6.457 9.605 -1.264 250 1HZ LYS 31 1HZ LYS 31 -4.771 9.271 -3.625 251 2HZ LYS 31 3HZ LYS 31 -5.901 10.534 -3.683 252 3HZ LYS 31 2HZ LYS 31 -4.744 10.488 -2.439 253 H LEU 32 HN LEU 32 -2.932 4.314 -1.581 254 HA LEU 32 HA LEU 32 -3.249 1.369 -1.439 255 1HB LEU 32 2HB LEU 32 -0.864 3.243 -1.528 256 2HB LEU 32 1HB LEU 32 -0.746 1.484 -1.559 257 HG LEU 32 HG LEU 32 -2.356 1.603 -3.577 258 1HD1 LEU 32 1HD1 LEU 32 -1.664 4.477 -3.111 259 2HD1 LEU 32 3HD1 LEU 32 -1.803 3.914 -4.777 260 3HD1 LEU 32 2HD1 LEU 32 -3.176 3.767 -3.679 261 1HD2 LEU 32 2HD2 LEU 32 0.522 2.082 -3.368 262 2HD2 LEU 32 1HD2 LEU 32 -0.358 1.011 -4.458 263 3HD2 LEU 32 3HD2 LEU 32 -0.158 2.716 -4.867 264 H ARG 33 HN ARG 33 -2.667 0.165 0.415 265 HA ARG 33 HA ARG 33 -2.618 1.703 2.957 266 1HB ARG 33 2HB ARG 33 -2.819 -1.279 2.433 267 2HB ARG 33 1HB ARG 33 -3.250 -0.435 3.920 268 1HG ARG 33 2HG ARG 33 -4.562 0.199 1.270 269 2HG ARG 33 1HG ARG 33 -5.192 -1.039 2.358 270 1HD ARG 33 2HD ARG 33 -5.635 0.557 4.079 271 2HD ARG 33 1HD ARG 33 -4.650 1.799 3.283 272 HE ARG 33 HE ARG 33 -6.650 2.322 2.130 273 1HH1 ARG 33 1HH1 ARG 33 -7.216 -0.681 3.484 274 2HH1 ARG 33 2HH1 ARG 33 -8.244 -1.262 2.218 275 1HH2 ARG 33 1HH2 ARG 33 -7.600 1.414 0.108 276 2HH2 ARG 33 2HH2 ARG 33 -8.461 -0.076 0.305 277 H ASN 34 HN ASN 34 -0.483 2.355 3.322 278 HA ASN 34 HA ASN 34 1.426 0.488 4.310 279 1HB ASN 34 2HB ASN 34 3.029 0.652 2.327 280 2HB ASN 34 1HB ASN 34 1.589 -0.331 2.056 281 1HD2 ASN 34 1HD2 ASN 34 2.625 0.540 -0.265 282 2HD2 ASN 34 2HD2 ASN 34 1.785 1.876 -0.892 283 H PHE 35 HN PHE 35 0.667 2.890 5.333 284 HA PHE 35 HA PHE 35 2.984 4.713 4.754 285 1HB PHE 35 2HB PHE 35 0.183 5.384 5.720 286 2HB PHE 35 1HB PHE 35 1.443 6.543 5.301 287 HD1 PHE 35 HD1 PHE 35 2.529 4.890 2.910 288 HD2 PHE 35 HD2 PHE 35 -1.420 6.134 4.054 289 HE1 PHE 35 HE1 PHE 35 1.815 4.806 0.536 290 HE2 PHE 35 HE2 PHE 35 -2.134 6.052 1.681 291 HZ PHE 35 HZ PHE 35 -0.516 5.388 -0.078 292 H ALA 36 HN ALA 36 3.858 5.817 6.652 293 HA ALA 36 HA ALA 36 4.375 4.320 8.928 294 1HB ALA 36 3HB ALA 36 4.516 6.761 9.965 295 2HB ALA 36 2HB ALA 36 5.622 6.270 8.682 296 3HB ALA 36 1HB ALA 36 4.205 7.246 8.298 297 HA PRO 37 HA PRO 37 0.124 4.214 10.506 298 1HB PRO 37 2HB PRO 37 1.086 2.326 12.452 299 2HB PRO 37 1HB PRO 37 0.084 2.011 11.034 300 1HG PRO 37 2HG PRO 37 2.803 1.260 11.423 301 2HG PRO 37 1HG PRO 37 1.845 1.075 9.951 302 1HD PRO 37 2HD PRO 37 3.992 2.977 10.509 303 2HD PRO 37 1HD PRO 37 3.190 2.632 8.958 304 H ILE 38 HN ILE 38 -0.251 3.772 13.214 305 HA ILE 38 HA ILE 38 1.476 5.620 14.756 306 HB ILE 38 HB ILE 38 -0.672 6.906 15.365 307 1HG1 ILE 38 2HG1 ILE 38 -2.017 4.972 14.179 308 2HG1 ILE 38 1HG1 ILE 38 -2.598 6.634 14.094 309 1HG2 ILE 38 3HG2 ILE 38 0.484 7.024 12.569 310 2HG2 ILE 38 2HG2 ILE 38 -0.570 8.264 13.245 311 3HG2 ILE 38 1HG2 ILE 38 1.005 7.951 13.976 312 1HD1 ILE 38 1HD1 ILE 38 -0.687 6.064 11.970 313 2HD1 ILE 38 3HD1 ILE 38 -2.055 4.954 11.924 314 3HD1 ILE 38 2HD1 ILE 38 -2.329 6.694 11.854 315 HA PRO 39 HA PRO 39 -0.397 1.918 16.958 316 1HB PRO 39 2HB PRO 39 2.149 1.713 18.285 317 2HB PRO 39 1HB PRO 39 1.431 0.593 17.124 318 1HG PRO 39 2HG PRO 39 3.634 2.404 16.717 319 2HG PRO 39 1HG PRO 39 2.943 1.254 15.570 320 1HD PRO 39 2HD PRO 39 2.731 4.124 15.522 321 2HD PRO 39 1HD PRO 39 1.981 2.962 14.402 322 H GLY 40 HN GLY 40 -1.092 1.955 19.155 323 1HA GLY 40 1HA GLY 40 -0.403 4.458 20.636 324 2HA GLY 40 2HA GLY 40 -0.483 2.905 21.467 325 H GLU 41 HN GLU 41 -2.831 2.422 19.368 326 HA GLU 41 HA GLU 41 -4.901 3.878 20.984 327 1HB GLU 41 2HB GLU 41 -6.245 3.656 18.842 328 2HB GLU 41 1HB GLU 41 -4.816 4.680 18.707 329 1HG GLU 41 2HG GLU 41 -3.614 3.063 17.504 330 2HG GLU 41 1HG GLU 41 -4.630 1.742 18.080 331 HA PRO 42 HA PRO 42 -5.246 -0.711 21.744 332 1HB PRO 42 2HB PRO 42 -6.291 0.052 24.314 333 2HB PRO 42 1HB PRO 42 -4.756 -0.743 23.954 334 1HG PRO 42 2HG PRO 42 -5.194 1.978 24.795 335 2HG PRO 42 1HG PRO 42 -3.657 1.171 24.474 336 1HD PRO 42 2HD PRO 42 -4.937 3.201 22.889 337 2HD PRO 42 1HD PRO 42 -3.421 2.340 22.530 338 H VAL 43 HN VAL 43 -7.196 -1.855 21.548 339 HA VAL 43 HA VAL 43 -9.717 -0.226 21.598 340 HB VAL 43 HB VAL 43 -10.426 -1.632 19.712 341 1HG1 VAL 43 3HG1 VAL 43 -8.203 0.181 19.701 342 2HG1 VAL 43 2HG1 VAL 43 -7.911 -1.076 18.498 343 3HG1 VAL 43 1HG1 VAL 43 -9.384 -0.109 18.424 344 1HG2 VAL 43 1HG2 VAL 43 -8.253 -3.279 20.680 345 2HG2 VAL 43 3HG2 VAL 43 -9.523 -3.689 19.529 346 3HG2 VAL 43 2HG2 VAL 43 -8.035 -2.928 18.966 347 H VAL 44 HN VAL 44 -11.541 -2.247 21.341 348 HA VAL 44 HA VAL 44 -12.674 -3.934 22.551 349 HB VAL 44 HB VAL 44 -9.883 -4.654 23.485 350 1HG1 VAL 44 2HG1 VAL 44 -12.099 -5.780 24.336 351 2HG1 VAL 44 1HG1 VAL 44 -12.092 -6.556 22.752 352 3HG1 VAL 44 3HG1 VAL 44 -10.739 -6.797 23.857 353 1HG2 VAL 44 2HG2 VAL 44 -11.169 -4.809 20.805 354 2HG2 VAL 44 1HG2 VAL 44 -9.464 -4.655 21.226 355 3HG2 VAL 44 3HG2 VAL 44 -10.259 -6.225 21.330 356 HA PRO 45 HA PRO 45 -11.743 -1.194 26.353 357 1HB PRO 45 2HB PRO 45 -14.379 -0.091 26.023 358 2HB PRO 45 1HB PRO 45 -12.828 0.742 25.890 359 1HG PRO 45 2HG PRO 45 -14.647 0.046 23.776 360 2HG PRO 45 1HG PRO 45 -13.101 0.888 23.645 361 1HD PRO 45 2HD PRO 45 -13.721 -1.809 22.827 362 2HD PRO 45 1HD PRO 45 -12.162 -0.962 22.705 363 H ILE 46 HN ILE 46 -14.431 -3.091 25.118 364 HA ILE 46 HA ILE 46 -14.745 -4.431 27.720 365 HB ILE 46 HB ILE 46 -16.079 -2.291 27.817 366 1HG1 ILE 46 2HG1 ILE 46 -17.866 -4.732 27.747 367 2HG1 ILE 46 1HG1 ILE 46 -16.680 -4.465 29.024 368 1HG2 ILE 46 1HG2 ILE 46 -16.650 -2.315 25.367 369 2HG2 ILE 46 3HG2 ILE 46 -17.757 -3.649 25.688 370 3HG2 ILE 46 2HG2 ILE 46 -18.046 -2.069 26.415 371 1HD1 ILE 46 2HD1 ILE 46 -17.786 -2.121 29.250 372 2HD1 ILE 46 1HD1 ILE 46 -19.127 -2.838 28.357 373 3HD1 ILE 46 3HD1 ILE 46 -18.642 -3.515 29.912 374 H LEU 47 HN LEU 47 -15.980 -3.935 24.418 375 HA LEU 47 HA LEU 47 -16.014 -6.847 23.971 376 1HB LEU 47 2HB LEU 47 -18.161 -6.178 25.164 377 2HB LEU 47 1HB LEU 47 -18.564 -5.224 23.736 378 HG LEU 47 HG LEU 47 -17.848 -7.657 22.644 379 1HD1 LEU 47 2HD1 LEU 47 -18.762 -8.036 25.425 380 2HD1 LEU 47 1HD1 LEU 47 -19.627 -9.007 24.232 381 3HD1 LEU 47 3HD1 LEU 47 -17.873 -9.138 24.372 382 1HD2 LEU 47 1HD2 LEU 47 -20.038 -5.974 22.686 383 2HD2 LEU 47 3HD2 LEU 47 -19.931 -7.475 21.766 384 3HD2 LEU 47 2HD2 LEU 47 -20.691 -7.469 23.357 385 H CYS 48 HN CYS 48 -14.513 -6.260 22.268 386 HA CYS 48 HA CYS 48 -13.893 -5.526 20.102 387 1HB CYS 48 2HB CYS 48 -16.845 -6.167 19.815 388 2HB CYS 48 1HB CYS 48 -15.718 -6.020 18.467 389 H SER 49 HN SER 49 -13.398 -3.364 19.946 390 HA SER 49 HA SER 49 -15.109 -1.181 20.572 391 1HB SER 49 2HB SER 49 -13.386 0.117 19.367 392 2HB SER 49 1HB SER 49 -12.640 -1.118 20.383 393 HG SER 49 HG SER 49 -11.915 -2.078 18.671 394 H ASN 50 HN ASN 50 -13.902 -1.366 17.268 395 HA ASN 50 HA ASN 50 -16.284 -0.267 16.129 396 1HB ASN 50 2HB ASN 50 -13.677 -1.389 15.292 397 2HB ASN 50 1HB ASN 50 -14.942 -1.441 14.064 398 1HD2 ASN 50 1HD2 ASN 50 -16.102 0.713 13.672 399 2HD2 ASN 50 2HD2 ASN 50 -15.197 2.138 13.839 400 HA PRO 51 HA PRO 51 -18.525 -4.194 16.215 401 1HB PRO 51 2HB PRO 51 -20.715 -2.779 14.999 402 2HB PRO 51 1HB PRO 51 -20.567 -3.316 16.675 403 1HG PRO 51 2HG PRO 51 -20.476 -0.634 15.696 404 2HG PRO 51 1HG PRO 51 -20.232 -1.179 17.357 405 1HD PRO 51 2HD PRO 51 -18.247 -0.193 15.466 406 2HD PRO 51 1HD PRO 51 -18.033 -0.597 17.185 407 H ASN 52 HN ASN 52 -17.447 -2.200 13.700 408 HA ASN 52 HA ASN 52 -18.272 -4.211 11.633 409 1HB ASN 52 2HB ASN 52 -18.375 -2.288 10.089 410 2HB ASN 52 1HB ASN 52 -19.424 -2.016 11.481 411 1HD2 ASN 52 1HD2 ASN 52 -19.264 0.223 11.859 412 2HD2 ASN 52 2HD2 ASN 52 -17.800 1.062 12.035 413 H PHE 53 HN PHE 53 -15.759 -3.916 13.349 414 HA PHE 53 HA PHE 53 -13.653 -3.085 11.480 415 1HB PHE 53 2HB PHE 53 -12.235 -3.462 13.320 416 2HB PHE 53 1HB PHE 53 -13.763 -3.094 14.116 417 HD1 PHE 53 HD1 PHE 53 -15.297 -5.579 13.766 418 HD2 PHE 53 HD2 PHE 53 -11.138 -5.022 14.698 419 HE1 PHE 53 HE1 PHE 53 -15.249 -7.788 14.891 420 HE2 PHE 53 HE2 PHE 53 -11.092 -7.242 15.823 421 HZ PHE 53 HZ PHE 53 -13.148 -8.616 15.917 422 HA PRO 54 HA PRO 54 -12.707 -6.888 9.500 423 1HB PRO 54 2HB PRO 54 -10.257 -7.585 10.850 424 2HB PRO 54 1HB PRO 54 -10.450 -6.853 9.255 425 1HG PRO 54 2HG PRO 54 -9.520 -5.607 11.679 426 2HG PRO 54 1HG PRO 54 -9.679 -4.885 10.077 427 1HD PRO 54 2HD PRO 54 -11.296 -4.379 12.396 428 2HD PRO 54 1HD PRO 54 -11.507 -3.701 10.764 429 H GLU 55 HN GLU 55 -14.575 -7.635 10.904 430 HA GLU 55 HA GLU 55 -14.613 -8.872 13.333 431 1HB GLU 55 2HB GLU 55 -16.474 -8.688 11.708 432 2HB GLU 55 1HB GLU 55 -15.755 -9.992 10.756 433 1HG GLU 55 2HG GLU 55 -15.931 -11.490 12.745 434 2HG GLU 55 1HG GLU 55 -16.744 -10.192 13.618 435 H GLU 56 HN GLU 56 -12.930 -10.070 10.484 436 HA GLU 56 HA GLU 56 -12.467 -12.761 11.193 437 1HB GLU 56 2HB GLU 56 -10.661 -10.670 9.929 438 2HB GLU 56 1HB GLU 56 -10.339 -12.403 9.892 439 1HG GLU 56 2HG GLU 56 -12.542 -12.750 8.773 440 2HG GLU 56 1HG GLU 56 -12.766 -11.001 8.732 441 H LEU 57 HN LEU 57 -11.464 -9.851 12.742 442 HA LEU 57 HA LEU 57 -9.232 -11.093 14.233 443 1HB LEU 57 2HB LEU 57 -10.563 -8.381 14.507 444 2HB LEU 57 1HB LEU 57 -8.971 -8.834 15.110 445 HG LEU 57 HG LEU 57 -9.831 -8.646 12.212 446 1HD1 LEU 57 3HD1 LEU 57 -9.299 -6.507 13.401 447 2HD1 LEU 57 2HD1 LEU 57 -7.702 -7.156 13.774 448 3HD1 LEU 57 1HD1 LEU 57 -8.166 -6.868 12.098 449 1HD2 LEU 57 2HD2 LEU 57 -7.745 -10.204 13.488 450 2HD2 LEU 57 1HD2 LEU 57 -8.238 -10.177 11.796 451 3HD2 LEU 57 3HD2 LEU 57 -7.056 -9.010 12.388 452 H LYS 58 HN LYS 58 -12.459 -11.462 14.443 453 HA LYS 58 HA LYS 58 -13.497 -10.794 16.880 454 1HB LYS 58 2HB LYS 58 -13.947 -12.692 14.900 455 2HB LYS 58 1HB LYS 58 -13.739 -13.666 16.356 456 1HG LYS 58 2HG LYS 58 -15.390 -12.133 17.506 457 2HG LYS 58 1HG LYS 58 -15.701 -11.395 15.935 458 1HD LYS 58 2HD LYS 58 -16.783 -13.265 15.119 459 2HD LYS 58 1HD LYS 58 -15.840 -14.374 16.116 460 1HE LYS 58 2HE LYS 58 -17.260 -12.803 17.964 461 2HE LYS 58 1HE LYS 58 -18.428 -13.173 16.681 462 1HZ LYS 58 1HZ LYS 58 -17.169 -15.497 16.858 463 2HZ LYS 58 3HZ LYS 58 -16.981 -14.981 18.462 464 3HZ LYS 58 2HZ LYS 58 -18.537 -15.134 17.796 465 HA PRO 59 HA PRO 59 -11.068 -14.489 18.983 466 1HB PRO 59 2HB PRO 59 -8.590 -14.622 17.518 467 2HB PRO 59 1HB PRO 59 -9.791 -15.895 17.745 468 1HG PRO 59 2HG PRO 59 -9.250 -14.330 15.368 469 2HG PRO 59 1HG PRO 59 -10.356 -15.694 15.556 470 1HD PRO 59 2HD PRO 59 -11.064 -12.967 15.193 471 2HD PRO 59 1HD PRO 59 -12.165 -14.297 15.613 472 H LEU 60 HN LEU 60 -9.248 -11.882 17.306 473 HA LEU 60 HA LEU 60 -7.373 -11.333 19.362 474 1HB LEU 60 2HB LEU 60 -8.741 -9.644 17.251 475 2HB LEU 60 1HB LEU 60 -7.381 -9.063 18.213 476 HG LEU 60 HG LEU 60 -7.404 -11.454 16.349 477 1HD1 LEU 60 1HD1 LEU 60 -7.152 -8.982 15.529 478 2HD1 LEU 60 3HD1 LEU 60 -5.546 -9.087 16.252 479 3HD1 LEU 60 2HD1 LEU 60 -6.003 -10.190 14.953 480 1HD2 LEU 60 2HD2 LEU 60 -5.529 -10.585 18.512 481 2HD2 LEU 60 1HD2 LEU 60 -5.972 -12.214 18.001 482 3HD2 LEU 60 3HD2 LEU 60 -4.841 -11.265 17.036 483 H CYS 61 HN CYS 61 -10.688 -10.070 18.846 484 HA CYS 61 HA CYS 61 -10.627 -8.226 21.061 485 1HB CYS 61 2HB CYS 61 -12.218 -7.881 19.343 486 2HB CYS 61 1HB CYS 61 -12.723 -9.569 19.353 487 H LYS 62 HN LYS 62 -11.436 -11.653 20.741 488 HA LYS 62 HA LYS 62 -12.641 -11.855 23.396 489 1HB LYS 62 2HB LYS 62 -11.663 -13.856 21.338 490 2HB LYS 62 1HB LYS 62 -12.548 -14.299 22.798 491 1HG LYS 62 2HG LYS 62 -14.423 -12.836 22.082 492 2HG LYS 62 1HG LYS 62 -13.542 -12.456 20.602 493 1HD LYS 62 2HD LYS 62 -15.125 -14.231 20.115 494 2HD LYS 62 1HD LYS 62 -13.499 -14.911 20.073 495 1HE LYS 62 2HE LYS 62 -13.898 -16.251 21.883 496 2HE LYS 62 1HE LYS 62 -14.785 -14.976 22.740 497 1HZ LYS 62 1HZ LYS 62 -16.562 -15.302 20.992 498 2HZ LYS 62 3HZ LYS 62 -15.756 -16.726 20.548 499 3HZ LYS 62 2HZ LYS 62 -16.396 -16.566 22.114 500 H GLU 63 HN GLU 63 -9.511 -11.286 22.550 501 HA GLU 63 HA GLU 63 -8.471 -12.929 24.839 502 1HB GLU 63 2HB GLU 63 -6.326 -12.948 23.529 503 2HB GLU 63 1HB GLU 63 -7.655 -13.756 22.698 504 1HG GLU 63 2HG GLU 63 -8.028 -11.857 21.277 505 2HG GLU 63 1HG GLU 63 -6.938 -10.852 22.232 506 HA PRO 64 HA PRO 64 -7.495 -9.032 26.678 507 1HB PRO 64 2HB PRO 64 -5.304 -10.220 28.114 508 2HB PRO 64 1HB PRO 64 -6.916 -9.827 28.717 509 1HG PRO 64 2HG PRO 64 -5.818 -12.426 28.177 510 2HG PRO 64 1HG PRO 64 -7.430 -12.033 28.780 511 1HD PRO 64 2HD PRO 64 -6.708 -13.006 26.159 512 2HD PRO 64 1HD PRO 64 -8.332 -12.607 26.765 513 H ASN 65 HN ASN 65 -5.289 -10.945 24.813 514 HA ASN 65 HA ASN 65 -3.071 -9.038 24.882 515 1HB ASN 65 2HB ASN 65 -3.722 -11.345 23.019 516 2HB ASN 65 1HB ASN 65 -2.145 -10.576 23.199 517 1HD2 ASN 65 1HD2 ASN 65 -2.042 -10.301 26.027 518 2HD2 ASN 65 2HD2 ASN 65 -2.017 -11.847 26.729 519 H ALA 66 HN ALA 66 -6.088 -9.103 23.328 520 HA ALA 66 HA ALA 66 -5.647 -8.176 20.719 521 1HB ALA 66 2HB ALA 66 -7.760 -8.466 22.493 522 2HB ALA 66 3HB ALA 66 -7.896 -7.855 20.844 523 3HB ALA 66 1HB ALA 66 -7.736 -6.728 22.192 524 H GLN 67 HN GLN 67 -5.394 -6.418 23.783 525 HA GLN 67 HA GLN 67 -5.177 -3.766 22.725 526 1HB GLN 67 2HB GLN 67 -4.034 -5.116 25.194 527 2HB GLN 67 1HB GLN 67 -4.061 -3.370 24.947 528 1HG GLN 67 2HG GLN 67 -6.551 -3.508 24.676 529 2HG GLN 67 1HG GLN 67 -6.462 -5.217 25.097 530 1HE2 GLN 67 1HE2 GLN 67 -4.026 -3.909 26.890 531 2HE2 GLN 67 2HE2 GLN 67 -4.873 -3.530 28.310 532 H GLU 68 HN GLU 68 -2.761 -6.318 23.299 533 HA GLU 68 HA GLU 68 -0.516 -4.630 22.456 534 1HB GLU 68 2HB GLU 68 -0.871 -7.598 22.998 535 2HB GLU 68 1HB GLU 68 0.687 -6.832 22.679 536 1HG GLU 68 2HG GLU 68 0.316 -5.328 24.628 537 2HG GLU 68 1HG GLU 68 -1.197 -6.171 24.964 538 H ILE 69 HN ILE 69 -2.398 -7.334 21.082 539 HA ILE 69 HA ILE 69 -0.983 -7.553 18.602 540 HB ILE 69 HB ILE 69 -3.893 -8.057 19.317 541 1HG1 ILE 69 2HG1 ILE 69 -1.491 -9.908 19.318 542 2HG1 ILE 69 1HG1 ILE 69 -2.288 -9.269 20.755 543 1HG2 ILE 69 1HG2 ILE 69 -2.212 -8.673 16.916 544 2HG2 ILE 69 3HG2 ILE 69 -3.424 -9.851 17.420 545 3HG2 ILE 69 2HG2 ILE 69 -3.911 -8.209 17.003 546 1HD1 ILE 69 1HD1 ILE 69 -4.396 -10.370 20.070 547 2HD1 ILE 69 3HD1 ILE 69 -3.592 -11.015 18.640 548 3HD1 ILE 69 2HD1 ILE 69 -3.095 -11.547 20.246 549 H LEU 70 HN LEU 70 -3.764 -5.586 19.606 550 HA LEU 70 HA LEU 70 -4.651 -4.488 17.218 551 1HB LEU 70 2HB LEU 70 -5.659 -4.001 19.355 552 2HB LEU 70 1HB LEU 70 -4.177 -3.249 19.943 553 HG LEU 70 HG LEU 70 -6.113 -1.715 19.094 554 1HD1 LEU 70 1HD1 LEU 70 -3.503 -1.292 19.477 555 2HD1 LEU 70 3HD1 LEU 70 -3.535 -1.066 17.729 556 3HD1 LEU 70 2HD1 LEU 70 -4.540 -0.056 18.765 557 1HD2 LEU 70 1HD2 LEU 70 -6.308 -3.080 16.945 558 2HD2 LEU 70 3HD2 LEU 70 -6.202 -1.333 16.735 559 3HD2 LEU 70 2HD2 LEU 70 -4.785 -2.342 16.450 560 H GLN 71 HN GLN 71 -2.234 -2.779 19.260 561 HA GLN 71 HA GLN 71 -1.404 -0.846 17.446 562 1HB GLN 71 2HB GLN 71 0.233 -2.492 19.400 563 2HB GLN 71 1HB GLN 71 0.751 -0.953 18.712 564 1HG GLN 71 2HG GLN 71 -1.218 0.156 19.702 565 2HG GLN 71 1HG GLN 71 -1.749 -1.382 20.380 566 1HE2 GLN 71 1HE2 GLN 71 -1.198 0.781 22.121 567 2HE2 GLN 71 2HE2 GLN 71 0.210 0.441 23.004 568 H ARG 72 HN ARG 72 0.105 -4.085 17.805 569 HA ARG 72 HA ARG 72 1.949 -3.894 15.674 570 1HB ARG 72 2HB ARG 72 1.724 -5.681 17.444 571 2HB ARG 72 1HB ARG 72 0.359 -6.330 16.538 572 1HG ARG 72 2HG ARG 72 2.200 -7.599 15.768 573 2HG ARG 72 1HG ARG 72 1.982 -6.375 14.518 574 1HD ARG 72 2HD ARG 72 4.302 -6.259 14.934 575 2HD ARG 72 1HD ARG 72 3.676 -4.983 15.996 576 HE ARG 72 HE ARG 72 3.635 -7.562 17.316 577 1HH1 ARG 72 1HH1 ARG 72 4.730 -4.535 17.778 578 2HH1 ARG 72 2HH1 ARG 72 6.291 -4.950 18.402 579 1HH2 ARG 72 1HH2 ARG 72 6.052 -8.292 17.505 580 2HH2 ARG 72 2HH2 ARG 72 7.040 -7.079 18.249 581 H LEU 73 HN LEU 73 -1.329 -5.346 15.579 582 HA LEU 73 HA LEU 73 -1.490 -5.943 12.854 583 1HB LEU 73 2HB LEU 73 -3.127 -6.327 14.798 584 2HB LEU 73 1HB LEU 73 -3.720 -4.698 14.479 585 HG LEU 73 HG LEU 73 -4.438 -5.280 12.287 586 1HD1 LEU 73 3HD1 LEU 73 -2.638 -7.655 12.694 587 2HD1 LEU 73 2HD1 LEU 73 -3.952 -7.739 11.519 588 3HD1 LEU 73 1HD1 LEU 73 -2.688 -6.520 11.345 589 1HD2 LEU 73 3HD2 LEU 73 -4.994 -7.535 14.229 590 2HD2 LEU 73 2HD2 LEU 73 -5.990 -6.111 13.930 591 3HD2 LEU 73 1HD2 LEU 73 -5.836 -7.356 12.690 592 H GLU 74 HN GLU 74 -2.513 -2.859 14.395 593 HA GLU 74 HA GLU 74 -3.214 -1.413 12.097 594 1HB GLU 74 2HB GLU 74 -1.700 -0.472 14.556 595 2HB GLU 74 1HB GLU 74 -2.647 0.555 13.480 596 1HG GLU 74 2HG GLU 74 -4.659 -0.840 14.017 597 2HG GLU 74 1HG GLU 74 -3.685 -1.716 15.195 598 H GLU 75 HN GLU 75 0.045 -1.782 13.546 599 HA GLU 75 HA GLU 75 1.510 -0.120 11.810 600 1HB GLU 75 2HB GLU 75 2.152 -2.755 13.164 601 2HB GLU 75 1HB GLU 75 3.374 -1.747 12.388 602 1HG GLU 75 2HG GLU 75 2.703 0.144 13.868 603 2HG GLU 75 1HG GLU 75 1.564 -0.930 14.682 604 H ILE 76 HN ILE 76 0.915 -3.642 11.441 605 HA ILE 76 HA ILE 76 2.120 -3.898 8.868 606 HB ILE 76 HB ILE 76 -0.155 -5.409 10.197 607 1HG1 ILE 76 2HG1 ILE 76 2.855 -5.611 10.288 608 2HG1 ILE 76 1HG1 ILE 76 1.719 -5.543 11.635 609 1HG2 ILE 76 3HG2 ILE 76 0.730 -5.600 7.562 610 2HG2 ILE 76 2HG2 ILE 76 1.611 -6.884 8.392 611 3HG2 ILE 76 1HG2 ILE 76 -0.150 -6.845 8.450 612 1HD1 ILE 76 3HD1 ILE 76 0.798 -7.778 10.556 613 2HD1 ILE 76 2HD1 ILE 76 2.412 -7.852 9.849 614 3HD1 ILE 76 1HD1 ILE 76 2.218 -7.817 11.601 615 H ALA 77 HN ALA 77 -1.203 -3.071 9.842 616 HA ALA 77 HA ALA 77 -2.437 -3.159 7.279 617 1HB ALA 77 2HB ALA 77 -3.127 -2.583 9.883 618 2HB ALA 77 3HB ALA 77 -4.200 -2.381 8.498 619 3HB ALA 77 1HB ALA 77 -3.279 -1.006 9.108 620 H GLU 78 HN GLU 78 -0.566 -0.603 8.885 621 HA GLU 78 HA GLU 78 -0.846 1.116 6.457 622 1HB GLU 78 2HB GLU 78 0.178 1.637 9.267 623 2HB GLU 78 1HB GLU 78 0.011 2.861 8.009 624 1HG GLU 78 2HG GLU 78 -2.412 2.410 7.888 625 2HG GLU 78 1HG GLU 78 -2.247 1.186 9.146 626 H ASP 79 HN ASP 79 1.036 -1.328 7.232 627 HA ASP 79 HA ASP 79 3.369 -0.290 5.778 628 1HB ASP 79 2HB ASP 79 3.363 0.167 8.432 629 2HB ASP 79 1HB ASP 79 3.996 -1.480 8.440 630 HA PRO 80 HA PRO 80 2.551 -4.602 4.658 631 1HB PRO 80 2HB PRO 80 4.672 -4.292 2.732 632 2HB PRO 80 1HB PRO 80 2.932 -4.366 2.439 633 1HG PRO 80 2HG PRO 80 4.669 -2.065 2.298 634 2HG PRO 80 1HG PRO 80 2.945 -2.158 1.930 635 1HD PRO 80 2HD PRO 80 4.172 -0.882 4.183 636 2HD PRO 80 1HD PRO 80 2.431 -1.086 3.877 637 H GLY 81 HN GLY 81 5.976 -3.551 4.320 638 1HA GLY 81 1HA GLY 81 6.786 -5.195 6.599 639 2HA GLY 81 2HA GLY 81 7.862 -4.264 5.557 640 H THR 82 HN THR 82 7.672 -7.231 6.503 641 HA THR 82 HA THR 82 8.737 -8.371 4.032 642 HB THR 82 HB THR 82 9.071 -10.328 5.509 643 HG1 THR 82 1HG THR 82 7.047 -10.016 6.623 644 1HG2 THR 82 1HG2 THR 82 10.337 -7.959 5.693 645 2HG2 THR 82 3HG2 THR 82 9.690 -8.059 7.331 646 3HG2 THR 82 2HG2 THR 82 10.746 -9.334 6.721 647 H CYS 83 HN CYS 83 5.659 -8.316 5.668 648 HA CYS 83 HA CYS 83 4.351 -10.632 4.894 649 1HB CYS 83 2HB CYS 83 3.604 -8.437 6.102 650 2HB CYS 83 1HB CYS 83 3.119 -7.910 4.491 651 H GLU 84 HN GLU 84 4.425 -7.656 2.893 652 HA GLU 84 HA GLU 84 3.226 -8.728 0.578 653 1HB GLU 84 2HB GLU 84 5.157 -6.504 1.185 654 2HB GLU 84 1HB GLU 84 4.669 -6.817 -0.481 655 1HG GLU 84 2HG GLU 84 2.254 -6.760 0.379 656 2HG GLU 84 1HG GLU 84 2.912 -6.081 1.867 657 H ILE 85 HN ILE 85 6.673 -8.769 1.527 658 HA ILE 85 HA ILE 85 7.401 -10.072 -1.025 659 HB ILE 85 HB ILE 85 9.672 -9.816 -0.158 660 1HG1 ILE 85 2HG1 ILE 85 8.238 -9.162 2.424 661 2HG1 ILE 85 1HG1 ILE 85 9.389 -10.466 2.138 662 1HG2 ILE 85 1HG2 ILE 85 7.755 -7.689 -0.401 663 2HG2 ILE 85 3HG2 ILE 85 8.933 -7.258 0.838 664 3HG2 ILE 85 2HG2 ILE 85 9.475 -7.664 -0.789 665 1HD1 ILE 85 2HD1 ILE 85 10.883 -8.325 1.386 666 2HD1 ILE 85 1HD1 ILE 85 9.871 -7.582 2.624 667 3HD1 ILE 85 3HD1 ILE 85 10.877 -8.973 3.027 668 H CYS 86 HN CYS 86 5.788 -11.266 1.452 669 HA CYS 86 HA CYS 86 5.595 -13.396 2.458 670 1HB CYS 86 2HB CYS 86 7.190 -14.100 -0.026 671 2HB CYS 86 1HB CYS 86 6.167 -15.200 0.898 672 H ALA 87 HN ALA 87 8.223 -11.728 2.822 673 HA ALA 87 HA ALA 87 10.317 -13.706 3.227 674 1HB ALA 87 1HB ALA 87 9.821 -10.815 3.905 675 2HB ALA 87 3HB ALA 87 11.218 -11.645 4.587 676 3HB ALA 87 2HB ALA 87 11.042 -11.505 2.838 677 H TYR 88 HN TYR 88 7.463 -13.130 4.874 678 HA TYR 88 HA TYR 88 8.457 -14.573 7.266 679 1HB TYR 88 2HB TYR 88 7.714 -11.714 7.086 680 2HB TYR 88 1HB TYR 88 6.983 -12.585 8.434 681 HD1 TYR 88 HD1 TYR 88 10.169 -11.550 6.870 682 HD2 TYR 88 HD2 TYR 88 8.329 -13.465 10.248 683 HE1 TYR 88 HE1 TYR 88 12.319 -11.441 8.103 684 HE2 TYR 88 HE2 TYR 88 10.479 -13.356 11.480 685 HH TYR 88 HH TYR 88 12.608 -11.759 11.319 686 H ALA 89 HN ALA 89 6.514 -15.057 8.740 687 HA ALA 89 HA ALA 89 4.361 -16.200 7.143 688 1HB ALA 89 3HB ALA 89 5.547 -16.494 9.698 689 2HB ALA 89 2HB ALA 89 3.851 -16.107 9.985 690 3HB ALA 89 1HB ALA 89 4.282 -17.498 8.990 691 H ALA 90 HN ALA 90 4.860 -13.065 7.976 692 HA ALA 90 HA ALA 90 2.403 -12.210 9.169 693 1HB ALA 90 3HB ALA 90 4.730 -11.061 8.674 694 2HB ALA 90 2HB ALA 90 3.936 -10.563 7.181 695 3HB ALA 90 1HB ALA 90 3.265 -10.083 8.740 696 H CYS 91 HN CYS 91 3.284 -12.902 5.810 697 HA CYS 91 HA CYS 91 0.514 -12.102 4.981 698 1HB CYS 91 2HB CYS 91 3.209 -11.728 3.915 699 2HB CYS 91 1HB CYS 91 2.103 -12.387 2.712 700 H THR 92 HN THR 92 -0.803 -13.775 4.426 701 HA THR 92 HA THR 92 0.463 -16.402 3.723 702 HB THR 92 HB THR 92 -1.512 -17.384 4.737 703 HG1 THR 92 1HG THR 92 -3.073 -15.954 4.069 704 1HG2 THR 92 2HG2 THR 92 0.388 -16.142 6.131 705 2HG2 THR 92 1HG2 THR 92 -0.971 -15.135 6.625 706 3HG2 THR 92 3HG2 THR 92 -1.004 -16.872 6.930 707 H GLY 93 HN GLY 93 -0.492 -17.594 1.977 708 1HA GLY 93 1HA GLY 93 -2.529 -16.173 0.341 709 2HA GLY 93 2HA GLY 93 -2.096 -17.876 0.180 710 H CYS 94 HN CYS 94 0.478 -15.586 0.536 711 HA CYS 94 HA CYS 94 1.018 -14.619 -1.999 712 1HB CYS 94 2HB CYS 94 2.397 -14.212 -0.026 713 2HB CYS 94 1HB CYS 94 2.885 -15.906 0.018 No H/Q in entry = 713 Start of MODEL 20 1 H1 VAL 1 1H VAL 1 -2.787 -11.435 -0.468 2 H2 VAL 1 3H VAL 1 -1.757 -12.542 -1.237 3 H3 VAL 1 2H VAL 1 -3.113 -13.100 -0.378 4 HA VAL 1 HA VAL 1 -1.323 -13.507 1.068 5 HB VAL 1 HB VAL 1 0.318 -12.292 -0.226 6 1HG1 VAL 1 1HG1 VAL 1 -1.613 -10.117 0.161 7 2HG1 VAL 1 3HG1 VAL 1 0.057 -9.609 0.411 8 3HG1 VAL 1 2HG1 VAL 1 -0.421 -10.344 -1.119 9 1HG2 VAL 1 2HG2 VAL 1 0.008 -11.076 2.537 10 2HG2 VAL 1 1HG2 VAL 1 0.879 -12.558 2.142 11 3HG2 VAL 1 3HG2 VAL 1 1.477 -11.004 1.564 12 H THR 2 HN THR 2 -2.173 -13.448 3.110 13 HA THR 2 HA THR 2 -3.517 -10.920 4.012 14 HB THR 2 HB THR 2 -4.042 -13.812 4.770 15 HG1 THR 2 1HG THR 2 -5.282 -13.854 3.094 16 1HG2 THR 2 2HG2 THR 2 -5.013 -11.209 5.743 17 2HG2 THR 2 1HG2 THR 2 -6.295 -12.352 5.341 18 3HG2 THR 2 3HG2 THR 2 -5.059 -12.791 6.521 19 H VAL 3 HN VAL 3 -3.234 -10.368 6.277 20 HA VAL 3 HA VAL 3 -0.605 -11.120 7.349 21 HB VAL 3 HB VAL 3 -2.866 -9.337 8.315 22 1HG1 VAL 3 2HG1 VAL 3 -0.029 -9.695 9.319 23 2HG1 VAL 3 1HG1 VAL 3 -1.074 -8.351 9.779 24 3HG1 VAL 3 3HG1 VAL 3 -1.515 -10.001 10.217 25 1HG2 VAL 3 2HG2 VAL 3 -0.703 -9.045 6.375 26 2HG2 VAL 3 1HG2 VAL 3 -2.096 -8.004 6.659 27 3HG2 VAL 3 3HG2 VAL 3 -0.638 -7.809 7.630 28 H GLN 4 HN GLN 4 -0.342 -12.859 8.701 29 HA GLN 4 HA GLN 4 -2.756 -13.876 10.161 30 1HB GLN 4 2HB GLN 4 -1.678 -15.304 8.405 31 2HB GLN 4 1HB GLN 4 -0.194 -15.292 9.359 32 1HG GLN 4 2HG GLN 4 -1.324 -16.381 11.217 33 2HG GLN 4 1HG GLN 4 -2.875 -16.272 10.384 34 1HE2 GLN 4 1HE2 GLN 4 -2.181 -18.821 11.061 35 2HE2 GLN 4 2HE2 GLN 4 -1.616 -19.692 9.718 36 H ASP 5 HN ASP 5 -2.703 -13.531 12.331 37 HA ASP 5 HA ASP 5 -0.092 -12.968 13.659 38 1HB ASP 5 2HB ASP 5 -3.001 -12.586 14.442 39 2HB ASP 5 1HB ASP 5 -1.639 -12.148 15.474 40 H GLY 6 HN GLY 6 -1.585 -15.680 12.919 41 1HA GLY 6 1HA GLY 6 -2.128 -16.989 15.415 42 2HA GLY 6 2HA GLY 6 -0.459 -17.300 14.930 43 H ASN 7 HN ASN 7 -3.223 -18.854 14.913 44 HA ASN 7 HA ASN 7 -2.597 -20.326 12.421 45 1HB ASN 7 2HB ASN 7 -4.518 -20.784 14.727 46 2HB ASN 7 1HB ASN 7 -4.234 -21.935 13.420 47 1HD2 ASN 7 1HD2 ASN 7 -3.636 -22.669 16.099 48 2HD2 ASN 7 2HD2 ASN 7 -1.953 -22.792 16.275 49 H PHE 8 HN PHE 8 -4.142 -17.595 12.783 50 HA PHE 8 HA PHE 8 -6.412 -18.347 10.971 51 1HB PHE 8 2HB PHE 8 -6.330 -16.297 13.210 52 2HB PHE 8 1HB PHE 8 -7.716 -16.608 12.166 53 HD1 PHE 8 HD1 PHE 8 -9.002 -18.687 12.358 54 HD2 PHE 8 HD2 PHE 8 -5.634 -17.907 14.909 55 HE1 PHE 8 HE1 PHE 8 -9.700 -20.543 13.849 56 HE2 PHE 8 HE2 PHE 8 -6.333 -19.762 16.398 57 HZ PHE 8 HZ PHE 8 -8.366 -21.080 15.869 58 H SER 9 HN SER 9 -6.331 -17.231 9.054 59 HA SER 9 HA SER 9 -4.293 -15.174 8.628 60 1HB SER 9 2HB SER 9 -4.888 -15.462 6.349 61 2HB SER 9 1HB SER 9 -5.166 -17.051 7.061 62 HG SER 9 HG SER 9 -6.901 -16.140 5.722 63 H PHE 10 HN PHE 10 -4.649 -13.026 9.010 64 HA PHE 10 HA PHE 10 -7.485 -12.042 9.050 65 1HB PHE 10 2HB PHE 10 -4.986 -11.182 10.539 66 2HB PHE 10 1HB PHE 10 -6.538 -10.350 10.650 67 HD1 PHE 10 HD1 PHE 10 -8.593 -11.754 11.363 68 HD2 PHE 10 HD2 PHE 10 -4.529 -13.036 11.908 69 HE1 PHE 10 HE1 PHE 10 -9.334 -13.375 13.087 70 HE2 PHE 10 HE2 PHE 10 -5.271 -14.656 13.630 71 HZ PHE 10 HZ PHE 10 -7.673 -14.827 14.222 72 H SER 11 HN SER 11 -7.956 -10.594 7.433 73 HA SER 11 HA SER 11 -5.996 -9.630 5.564 74 1HB SER 11 2HB SER 11 -7.893 -8.429 4.651 75 2HB SER 11 1HB SER 11 -8.486 -9.982 5.238 76 HG SER 11 HG SER 11 -8.682 -7.446 6.469 77 H LEU 12 HN LEU 12 -5.558 -7.246 5.213 78 HA LEU 12 HA LEU 12 -5.188 -5.872 7.848 79 1HB LEU 12 2HB LEU 12 -3.265 -6.653 6.298 80 2HB LEU 12 1HB LEU 12 -3.741 -5.312 5.259 81 HG LEU 12 HG LEU 12 -3.437 -3.744 7.137 82 1HD1 LEU 12 1HD1 LEU 12 -3.530 -6.160 8.654 83 2HD1 LEU 12 3HD1 LEU 12 -1.954 -5.417 8.927 84 3HD1 LEU 12 2HD1 LEU 12 -3.427 -4.504 9.256 85 1HD2 LEU 12 2HD2 LEU 12 -1.526 -4.433 5.604 86 2HD2 LEU 12 1HD2 LEU 12 -1.040 -3.775 7.165 87 3HD2 LEU 12 3HD2 LEU 12 -0.995 -5.516 6.891 88 H GLU 13 HN GLU 13 -6.983 -5.711 4.958 89 HA GLU 13 HA GLU 13 -7.091 -2.922 4.416 90 1HB GLU 13 2HB GLU 13 -7.989 -4.821 3.044 91 2HB GLU 13 1HB GLU 13 -9.299 -4.993 4.213 92 1HG GLU 13 2HG GLU 13 -9.969 -2.641 3.775 93 2HG GLU 13 1HG GLU 13 -8.687 -2.516 2.570 94 H SER 14 HN SER 14 -9.718 -4.722 6.062 95 HA SER 14 HA SER 14 -11.132 -2.602 7.147 96 1HB SER 14 2HB SER 14 -10.450 -5.123 8.672 97 2HB SER 14 1HB SER 14 -11.958 -4.209 8.721 98 HG SER 14 HG SER 14 -12.572 -5.077 6.891 99 H VAL 15 HN VAL 15 -8.163 -4.063 8.488 100 HA VAL 15 HA VAL 15 -8.130 -2.542 10.921 101 HB VAL 15 HB VAL 15 -6.085 -3.977 9.226 102 1HG1 VAL 15 2HG1 VAL 15 -5.051 -2.028 10.486 103 2HG1 VAL 15 1HG1 VAL 15 -5.586 -2.807 11.976 104 3HG1 VAL 15 3HG1 VAL 15 -4.420 -3.615 10.928 105 1HG2 VAL 15 1HG2 VAL 15 -7.811 -4.536 11.578 106 2HG2 VAL 15 3HG2 VAL 15 -7.240 -5.630 10.316 107 3HG2 VAL 15 2HG2 VAL 15 -6.175 -5.193 11.652 108 H LYS 16 HN LYS 16 -6.471 -2.017 7.780 109 HA LYS 16 HA LYS 16 -5.191 0.427 8.418 110 1HB LYS 16 2HB LYS 16 -6.383 -0.756 5.900 111 2HB LYS 16 1HB LYS 16 -5.521 0.782 5.875 112 1HG LYS 16 2HG LYS 16 -3.540 -0.315 6.868 113 2HG LYS 16 1HG LYS 16 -4.402 -1.854 6.882 114 1HD LYS 16 2HD LYS 16 -4.674 -1.639 4.390 115 2HD LYS 16 1HD LYS 16 -3.625 -0.223 4.449 116 1HE LYS 16 2HE LYS 16 -1.740 -1.495 5.074 117 2HE LYS 16 1HE LYS 16 -2.733 -2.845 5.656 118 1HZ LYS 16 3HZ LYS 16 -2.770 -1.923 2.836 119 2HZ LYS 16 2HZ LYS 16 -1.708 -3.134 3.378 120 3HZ LYS 16 1HZ LYS 16 -3.388 -3.371 3.465 121 H LYS 17 HN LYS 17 -8.425 -0.111 6.967 122 HA LYS 17 HA LYS 17 -9.171 2.711 7.238 123 1HB LYS 17 2HB LYS 17 -10.715 0.181 6.563 124 2HB LYS 17 1HB LYS 17 -11.335 1.821 6.370 125 1HG LYS 17 2HG LYS 17 -9.500 2.331 4.800 126 2HG LYS 17 1HG LYS 17 -8.880 0.691 4.990 127 1HD LYS 17 2HD LYS 17 -11.050 -0.195 4.146 128 2HD LYS 17 1HD LYS 17 -11.600 1.462 3.886 129 1HE LYS 17 2HE LYS 17 -9.066 0.363 2.628 130 2HE LYS 17 1HE LYS 17 -10.643 0.334 1.815 131 1HZ LYS 17 1HZ LYS 17 -10.829 2.723 2.194 132 2HZ LYS 17 3HZ LYS 17 -9.311 2.744 2.950 133 3HZ LYS 17 2HZ LYS 17 -9.429 2.374 1.295 134 H LEU 18 HN LEU 18 -8.740 0.367 9.494 135 HA LEU 18 HA LEU 18 -11.101 0.219 11.040 136 1HB LEU 18 2HB LEU 18 -8.974 -1.076 11.268 137 2HB LEU 18 1HB LEU 18 -8.201 0.364 11.930 138 HG LEU 18 HG LEU 18 -9.656 0.356 13.848 139 1HD1 LEU 18 1HD1 LEU 18 -11.167 -1.709 12.254 140 2HD1 LEU 18 3HD1 LEU 18 -11.370 -1.569 13.998 141 3HD1 LEU 18 2HD1 LEU 18 -11.775 -0.209 12.950 142 1HD2 LEU 18 3HD2 LEU 18 -7.748 -1.374 13.675 143 2HD2 LEU 18 2HD2 LEU 18 -8.980 -1.669 14.902 144 3HD2 LEU 18 1HD2 LEU 18 -9.017 -2.565 13.384 145 H LYS 19 HN LYS 19 -8.799 2.843 10.647 146 HA LYS 19 HA LYS 19 -9.355 4.346 13.010 147 1HB LYS 19 2HB LYS 19 -7.496 4.744 11.422 148 2HB LYS 19 1HB LYS 19 -8.657 5.240 10.191 149 1HG LYS 19 2HG LYS 19 -9.449 7.032 11.788 150 2HG LYS 19 1HG LYS 19 -8.097 6.608 12.837 151 1HD LYS 19 2HD LYS 19 -6.573 7.004 10.839 152 2HD LYS 19 1HD LYS 19 -7.973 7.688 10.010 153 1HE LYS 19 2HE LYS 19 -7.753 8.827 12.666 154 2HE LYS 19 1HE LYS 19 -6.236 9.046 11.774 155 1HZ LYS 19 2HZ LYS 19 -7.773 9.623 9.821 156 2HZ LYS 19 1HZ LYS 19 -8.975 9.854 10.999 157 3HZ LYS 19 3HZ LYS 19 -7.566 10.797 11.032 158 H ASP 20 HN ASP 20 -11.018 4.150 9.882 159 HA ASP 20 HA ASP 20 -12.947 6.260 10.612 160 1HB ASP 20 2HB ASP 20 -12.055 5.923 8.311 161 2HB ASP 20 1HB ASP 20 -12.796 4.322 8.276 162 H LEU 21 HN LEU 21 -14.457 5.638 12.137 163 HA LEU 21 HA LEU 21 -15.562 2.864 11.999 164 1HB LEU 21 2HB LEU 21 -14.852 4.801 14.066 165 2HB LEU 21 1HB LEU 21 -16.467 4.136 14.307 166 HG LEU 21 HG LEU 21 -14.552 2.818 15.367 167 1HD1 LEU 21 2HD1 LEU 21 -16.832 1.899 14.858 168 2HD1 LEU 21 1HD1 LEU 21 -16.212 1.342 13.303 169 3HD1 LEU 21 3HD1 LEU 21 -15.558 0.681 14.802 170 1HD2 LEU 21 2HD2 LEU 21 -13.825 2.706 12.487 171 2HD2 LEU 21 1HD2 LEU 21 -12.794 2.621 13.913 172 3HD2 LEU 21 3HD2 LEU 21 -13.680 1.194 13.380 173 H GLN 22 HN GLN 22 -17.950 2.694 12.446 174 HA GLN 22 HA GLN 22 -20.189 3.268 11.949 175 1HB GLN 22 2HB GLN 22 -19.455 5.097 13.562 176 2HB GLN 22 1HB GLN 22 -19.132 6.101 12.149 177 1HG GLN 22 2HG GLN 22 -21.480 5.838 11.426 178 2HG GLN 22 1HG GLN 22 -21.803 4.839 12.843 179 1HE2 GLN 22 1HE2 GLN 22 -23.324 7.141 12.618 180 2HE2 GLN 22 2HE2 GLN 22 -22.805 8.313 13.730 181 H GLU 23 HN GLU 23 -18.891 2.540 9.709 182 HA GLU 23 HA GLU 23 -19.762 4.571 7.689 183 1HB GLU 23 2HB GLU 23 -17.114 3.699 8.357 184 2HB GLU 23 1HB GLU 23 -17.496 3.119 6.736 185 1HG GLU 23 2HG GLU 23 -18.499 5.720 6.768 186 2HG GLU 23 1HG GLU 23 -16.978 5.842 7.654 187 HA PRO 24 HA PRO 24 -21.717 1.316 5.497 188 1HB PRO 24 2HB PRO 24 -20.415 1.803 2.978 189 2HB PRO 24 1HB PRO 24 -22.021 2.326 3.492 190 1HG PRO 24 2HG PRO 24 -19.670 3.938 3.141 191 2HG PRO 24 1HG PRO 24 -21.274 4.460 3.661 192 1HD PRO 24 2HD PRO 24 -18.874 4.241 5.255 193 2HD PRO 24 1HD PRO 24 -20.487 4.780 5.777 194 H GLN 25 HN GLN 25 -21.314 -0.866 4.952 195 HA GLN 25 HA GLN 25 -18.862 -2.085 5.653 196 1HB GLN 25 2HB GLN 25 -21.143 -3.122 5.419 197 2HB GLN 25 1HB GLN 25 -20.944 -3.054 3.669 198 1HG GLN 25 2HG GLN 25 -18.879 -4.432 3.883 199 2HG GLN 25 1HG GLN 25 -19.169 -4.555 5.617 200 1HE2 GLN 25 1HE2 GLN 25 -20.156 -6.509 6.129 201 2HE2 GLN 25 2HE2 GLN 25 -21.293 -7.315 5.162 202 H GLU 26 HN GLU 26 -17.088 -2.820 4.389 203 HA GLU 26 HA GLU 26 -16.976 -1.773 1.578 204 1HB GLU 26 2HB GLU 26 -14.644 -1.185 2.051 205 2HB GLU 26 1HB GLU 26 -15.693 -0.444 3.261 206 1HG GLU 26 2HG GLU 26 -14.965 -3.094 4.125 207 2HG GLU 26 1HG GLU 26 -13.506 -2.195 3.711 208 HA PRO 27 HA PRO 27 -16.197 -6.393 1.807 209 1HB PRO 27 2HB PRO 27 -17.705 -6.543 -0.638 210 2HB PRO 27 1HB PRO 27 -18.145 -7.175 0.950 211 1HG PRO 27 2HG PRO 27 -19.275 -4.921 -0.424 212 2HG PRO 27 1HG PRO 27 -19.710 -5.550 1.168 213 1HD PRO 27 2HD PRO 27 -18.282 -3.113 0.548 214 2HD PRO 27 1HD PRO 27 -18.733 -3.739 2.152 215 H ARG 28 HN ARG 28 -16.183 -4.058 -0.854 216 HA ARG 28 HA ARG 28 -13.544 -5.116 -1.736 217 1HB ARG 28 2HB ARG 28 -16.035 -4.799 -3.443 218 2HB ARG 28 1HB ARG 28 -14.428 -5.122 -4.092 219 1HG ARG 28 2HG ARG 28 -14.328 -7.190 -2.689 220 2HG ARG 28 1HG ARG 28 -15.988 -6.886 -2.179 221 1HD ARG 28 2HD ARG 28 -16.080 -8.448 -4.035 222 2HD ARG 28 1HD ARG 28 -16.618 -6.878 -4.658 223 HE ARG 28 HE ARG 28 -14.252 -6.551 -5.475 224 1HH1 ARG 28 1HH1 ARG 28 -15.908 -9.348 -6.034 225 2HH1 ARG 28 2HH1 ARG 28 -14.530 -10.335 -6.387 226 1HH2 ARG 28 1HH2 ARG 28 -12.229 -7.968 -5.324 227 2HH2 ARG 28 2HH2 ARG 28 -12.446 -9.553 -5.986 228 H VAL 29 HN VAL 29 -12.241 -3.326 -1.828 229 HA VAL 29 HA VAL 29 -13.458 -0.743 -2.754 230 HB VAL 29 HB VAL 29 -11.369 -1.203 -0.600 231 1HG1 VAL 29 2HG1 VAL 29 -12.426 1.168 -1.997 232 2HG1 VAL 29 1HG1 VAL 29 -12.449 1.297 -0.238 233 3HG1 VAL 29 3HG1 VAL 29 -10.933 0.976 -1.078 234 1HG2 VAL 29 2HG2 VAL 29 -14.352 -0.913 -0.556 235 2HG2 VAL 29 1HG2 VAL 29 -13.314 -1.941 0.434 236 3HG2 VAL 29 3HG2 VAL 29 -13.416 -0.211 0.764 237 H GLY 30 HN GLY 30 -12.314 0.249 -4.383 238 1HA GLY 30 1HA GLY 30 -10.741 0.197 -6.186 239 2HA GLY 30 2HA GLY 30 -9.832 -1.045 -5.324 240 H LYS 31 HN LYS 31 -10.602 1.318 -3.124 241 HA LYS 31 HA LYS 31 -8.641 3.357 -3.722 242 1HB LYS 31 2HB LYS 31 -10.683 3.543 -2.264 243 2HB LYS 31 1HB LYS 31 -9.874 2.519 -1.078 244 1HG LYS 31 2HG LYS 31 -8.014 4.175 -0.966 245 2HG LYS 31 1HG LYS 31 -8.906 5.215 -2.078 246 1HD LYS 31 2HD LYS 31 -10.817 5.204 -0.437 247 2HD LYS 31 1HD LYS 31 -9.774 4.340 0.693 248 1HE LYS 31 2HE LYS 31 -8.162 6.211 0.655 249 2HE LYS 31 1HE LYS 31 -9.189 7.077 -0.504 250 1HZ LYS 31 3HZ LYS 31 -10.332 6.028 2.006 251 2HZ LYS 31 2HZ LYS 31 -9.503 7.510 2.018 252 3HZ LYS 31 1HZ LYS 31 -10.878 7.311 1.041 253 H LEU 32 HN LEU 32 -6.573 3.650 -2.675 254 HA LEU 32 HA LEU 32 -5.010 1.254 -2.329 255 1HB LEU 32 2HB LEU 32 -4.452 4.120 -1.493 256 2HB LEU 32 1HB LEU 32 -3.247 2.867 -1.789 257 HG LEU 32 HG LEU 32 -5.154 4.060 -3.824 258 1HD1 LEU 32 3HD1 LEU 32 -2.193 4.263 -3.296 259 2HD1 LEU 32 2HD1 LEU 32 -2.847 4.556 -4.907 260 3HD1 LEU 32 1HD1 LEU 32 -3.357 5.562 -3.552 261 1HD2 LEU 32 2HD2 LEU 32 -3.798 1.495 -3.735 262 2HD2 LEU 32 1HD2 LEU 32 -4.938 2.109 -4.933 263 3HD2 LEU 32 3HD2 LEU 32 -3.217 2.464 -5.091 264 H ARG 33 HN ARG 33 -4.230 0.309 -0.396 265 HA ARG 33 HA ARG 33 -5.700 1.099 2.087 266 1HB ARG 33 2HB ARG 33 -4.288 -1.463 1.270 267 2HB ARG 33 1HB ARG 33 -5.229 -1.240 2.745 268 1HG ARG 33 2HG ARG 33 -7.226 -0.709 1.354 269 2HG ARG 33 1HG ARG 33 -6.275 -1.034 -0.095 270 1HD ARG 33 2HD ARG 33 -5.851 -3.355 0.760 271 2HD ARG 33 1HD ARG 33 -6.945 -3.013 2.114 272 HE ARG 33 HE ARG 33 -8.770 -2.766 0.500 273 1HH1 ARG 33 1HH1 ARG 33 -5.864 -2.797 -1.223 274 2HH1 ARG 33 2HH1 ARG 33 -6.453 -3.778 -2.523 275 1HH2 ARG 33 1HH2 ARG 33 -9.493 -4.446 -0.993 276 2HH2 ARG 33 2HH2 ARG 33 -8.509 -4.713 -2.393 277 H ASN 34 HN ASN 34 -4.422 2.426 3.342 278 HA ASN 34 HA ASN 34 -2.066 1.589 4.634 279 1HB ASN 34 2HB ASN 34 -0.445 3.054 3.199 280 2HB ASN 34 1HB ASN 34 -0.899 1.465 2.586 281 1HD2 ASN 34 1HD2 ASN 34 -0.175 2.890 0.522 282 2HD2 ASN 34 2HD2 ASN 34 -1.460 3.636 -0.299 283 H PHE 35 HN PHE 35 -0.605 4.068 4.649 284 HA PHE 35 HA PHE 35 -0.663 6.204 5.649 285 1HB PHE 35 2HB PHE 35 -3.479 6.048 4.525 286 2HB PHE 35 1HB PHE 35 -2.721 7.521 5.124 287 HD1 PHE 35 HD1 PHE 35 -0.412 8.154 4.079 288 HD2 PHE 35 HD2 PHE 35 -3.197 5.421 2.285 289 HE1 PHE 35 HE1 PHE 35 0.676 8.492 1.877 290 HE2 PHE 35 HE2 PHE 35 -2.108 5.756 0.082 291 HZ PHE 35 HZ PHE 35 -0.171 7.292 -0.122 292 H ALA 36 HN ALA 36 -1.649 3.668 7.073 293 HA ALA 36 HA ALA 36 -3.757 4.446 8.892 294 1HB ALA 36 2HB ALA 36 -2.801 2.126 8.208 295 2HB ALA 36 3HB ALA 36 -3.275 2.354 9.891 296 3HB ALA 36 1HB ALA 36 -1.573 2.434 9.436 297 HA PRO 37 HA PRO 37 -1.550 7.094 11.638 298 1HB PRO 37 2HB PRO 37 -3.030 6.130 13.909 299 2HB PRO 37 1HB PRO 37 -3.289 7.616 12.992 300 1HG PRO 37 2HG PRO 37 -4.924 5.264 13.018 301 2HG PRO 37 1HG PRO 37 -5.161 6.734 12.070 302 1HD PRO 37 2HD PRO 37 -4.306 4.125 11.141 303 2HD PRO 37 1HD PRO 37 -4.606 5.590 10.177 304 H ILE 38 HN ILE 38 -1.276 6.340 14.463 305 HA ILE 38 HA ILE 38 0.834 4.232 14.173 306 HB ILE 38 HB ILE 38 0.497 6.328 16.336 307 1HG1 ILE 38 2HG1 ILE 38 0.601 7.383 14.080 308 2HG1 ILE 38 1HG1 ILE 38 2.026 7.740 15.054 309 1HG2 ILE 38 1HG2 ILE 38 2.878 4.739 15.327 310 2HG2 ILE 38 3HG2 ILE 38 2.941 5.971 16.588 311 3HG2 ILE 38 2HG2 ILE 38 2.033 4.483 16.854 312 1HD1 ILE 38 3HD1 ILE 38 2.824 5.439 13.837 313 2HD1 ILE 38 2HD1 ILE 38 1.782 6.119 12.587 314 3HD1 ILE 38 1HD1 ILE 38 3.154 7.047 13.193 315 HA PRO 39 HA PRO 39 -1.544 1.508 16.710 316 1HB PRO 39 2HB PRO 39 0.827 0.481 17.974 317 2HB PRO 39 1HB PRO 39 -0.115 -0.250 16.673 318 1HG PRO 39 2HG PRO 39 2.485 0.973 16.511 319 2HG PRO 39 1HG PRO 39 1.557 0.213 15.215 320 1HD PRO 39 2HD PRO 39 2.086 3.017 15.585 321 2HD PRO 39 1HD PRO 39 1.104 2.257 14.311 322 H GLY 40 HN GLY 40 -2.436 1.704 18.773 323 1HA GLY 40 1HA GLY 40 -2.369 3.737 20.464 324 2HA GLY 40 2HA GLY 40 -0.821 3.015 20.895 325 H GLU 41 HN GLU 41 -2.615 0.426 20.038 326 HA GLU 41 HA GLU 41 -3.676 -1.266 21.308 327 1HB GLU 41 2HB GLU 41 -1.649 -0.102 22.813 328 2HB GLU 41 1HB GLU 41 -3.038 -0.047 23.898 329 1HG GLU 41 2HG GLU 41 -2.552 -2.208 24.370 330 2HG GLU 41 1HG GLU 41 -3.219 -2.577 22.780 331 HA PRO 42 HA PRO 42 -7.122 1.853 21.949 332 1HB PRO 42 2HB PRO 42 -8.728 0.053 20.382 333 2HB PRO 42 1HB PRO 42 -8.186 1.679 19.959 334 1HG PRO 42 2HG PRO 42 -7.275 -0.820 18.879 335 2HG PRO 42 1HG PRO 42 -6.729 0.805 18.459 336 1HD PRO 42 2HD PRO 42 -5.306 -1.216 19.955 337 2HD PRO 42 1HD PRO 42 -4.751 0.419 19.525 338 H VAL 43 HN VAL 43 -9.616 0.795 22.282 339 HA VAL 43 HA VAL 43 -9.256 -0.967 24.651 340 HB VAL 43 HB VAL 43 -10.592 0.822 25.265 341 1HG1 VAL 43 2HG1 VAL 43 -11.372 0.844 22.369 342 2HG1 VAL 43 1HG1 VAL 43 -12.416 1.646 23.542 343 3HG1 VAL 43 3HG1 VAL 43 -10.736 2.154 23.363 344 1HG2 VAL 43 1HG2 VAL 43 -12.594 -1.072 23.997 345 2HG2 VAL 43 3HG2 VAL 43 -11.940 -1.195 25.632 346 3HG2 VAL 43 2HG2 VAL 43 -12.983 0.159 25.199 347 H VAL 44 HN VAL 44 -9.811 -3.103 24.563 348 HA VAL 44 HA VAL 44 -11.922 -4.058 22.739 349 HB VAL 44 HB VAL 44 -9.631 -3.798 21.528 350 1HG1 VAL 44 2HG1 VAL 44 -8.626 -5.073 23.661 351 2HG1 VAL 44 1HG1 VAL 44 -8.998 -6.481 22.663 352 3HG1 VAL 44 3HG1 VAL 44 -7.907 -5.233 22.057 353 1HG2 VAL 44 1HG2 VAL 44 -11.745 -5.385 21.050 354 2HG2 VAL 44 3HG2 VAL 44 -10.283 -5.448 20.065 355 3HG2 VAL 44 2HG2 VAL 44 -10.532 -6.633 21.349 356 HA PRO 45 HA PRO 45 -10.854 -6.281 26.854 357 1HB PRO 45 2HB PRO 45 -13.564 -5.732 27.650 358 2HB PRO 45 1HB PRO 45 -12.073 -5.141 28.385 359 1HG PRO 45 2HG PRO 45 -13.973 -3.684 26.767 360 2HG PRO 45 1HG PRO 45 -12.531 -3.071 27.579 361 1HD PRO 45 2HD PRO 45 -12.911 -3.430 24.764 362 2HD PRO 45 1HD PRO 45 -11.412 -2.951 25.595 363 H ILE 46 HN ILE 46 -14.204 -6.203 25.557 364 HA ILE 46 HA ILE 46 -13.922 -9.037 24.704 365 HB ILE 46 HB ILE 46 -15.855 -7.968 26.781 366 1HG1 ILE 46 2HG1 ILE 46 -13.740 -10.144 26.865 367 2HG1 ILE 46 1HG1 ILE 46 -13.608 -8.552 27.612 368 1HG2 ILE 46 3HG2 ILE 46 -15.967 -10.336 24.998 369 2HG2 ILE 46 2HG2 ILE 46 -16.316 -10.640 26.700 370 3HG2 ILE 46 1HG2 ILE 46 -17.276 -9.467 25.800 371 1HD1 ILE 46 2HD1 ILE 46 -16.061 -10.030 28.323 372 2HD1 ILE 46 1HD1 ILE 46 -14.569 -10.783 28.886 373 3HD1 ILE 46 3HD1 ILE 46 -14.954 -9.127 29.356 374 H LEU 47 HN LEU 47 -15.878 -6.080 24.851 375 HA LEU 47 HA LEU 47 -17.631 -7.056 22.664 376 1HB LEU 47 2HB LEU 47 -17.562 -4.567 24.398 377 2HB LEU 47 1HB LEU 47 -18.801 -4.886 23.184 378 HG LEU 47 HG LEU 47 -19.193 -7.114 24.394 379 1HD1 LEU 47 3HD1 LEU 47 -17.217 -5.768 26.182 380 2HD1 LEU 47 2HD1 LEU 47 -18.537 -6.651 26.951 381 3HD1 LEU 47 1HD1 LEU 47 -17.442 -7.485 25.848 382 1HD2 LEU 47 1HD2 LEU 47 -20.272 -4.588 24.749 383 2HD2 LEU 47 3HD2 LEU 47 -20.947 -6.085 25.392 384 3HD2 LEU 47 2HD2 LEU 47 -19.894 -5.089 26.396 385 H CYS 48 HN CYS 48 -14.625 -5.692 22.775 386 HA CYS 48 HA CYS 48 -13.358 -4.460 21.201 387 1HB CYS 48 2HB CYS 48 -15.651 -5.706 19.765 388 2HB CYS 48 1HB CYS 48 -14.756 -4.462 18.891 389 H SER 49 HN SER 49 -13.170 -2.257 21.256 390 HA SER 49 HA SER 49 -15.328 -0.501 21.903 391 1HB SER 49 2HB SER 49 -13.645 1.220 21.551 392 2HB SER 49 1HB SER 49 -12.873 -0.180 22.298 393 HG SER 49 HG SER 49 -11.707 -0.424 20.585 394 H ASN 50 HN ASN 50 -13.773 -1.243 18.777 395 HA ASN 50 HA ASN 50 -15.446 0.653 17.304 396 1HB ASN 50 2HB ASN 50 -13.340 -1.407 16.739 397 2HB ASN 50 1HB ASN 50 -14.303 -0.783 15.400 398 1HD2 ASN 50 1HD2 ASN 50 -12.438 0.390 14.523 399 2HD2 ASN 50 2HD2 ASN 50 -11.865 1.800 15.271 400 HA PRO 51 HA PRO 51 -18.785 -2.423 17.344 401 1HB PRO 51 2HB PRO 51 -20.326 -0.502 15.858 402 2HB PRO 51 1HB PRO 51 -20.500 -0.955 17.555 403 1HG PRO 51 2HG PRO 51 -19.468 1.500 16.480 404 2HG PRO 51 1HG PRO 51 -19.646 1.049 18.177 405 1HD PRO 51 2HD PRO 51 -17.205 1.283 16.655 406 2HD PRO 51 1HD PRO 51 -17.389 0.824 18.361 407 H ASN 52 HN ASN 52 -17.140 -0.801 14.765 408 HA ASN 52 HA ASN 52 -18.182 -2.848 12.838 409 1HB ASN 52 2HB ASN 52 -17.490 0.075 12.412 410 2HB ASN 52 1HB ASN 52 -17.974 -1.039 11.133 411 1HD2 ASN 52 1HD2 ASN 52 -20.037 -2.470 12.468 412 2HD2 ASN 52 2HD2 ASN 52 -21.309 -1.402 12.820 413 H PHE 53 HN PHE 53 -15.725 -3.053 14.469 414 HA PHE 53 HA PHE 53 -13.486 -2.393 12.674 415 1HB PHE 53 2HB PHE 53 -12.164 -3.109 14.473 416 2HB PHE 53 1HB PHE 53 -13.638 -2.627 15.313 417 HD1 PHE 53 HD1 PHE 53 -15.513 -4.758 14.923 418 HD2 PHE 53 HD2 PHE 53 -11.259 -5.011 15.466 419 HE1 PHE 53 HE1 PHE 53 -15.762 -7.061 15.803 420 HE2 PHE 53 HE2 PHE 53 -11.509 -7.322 16.346 421 HZ PHE 53 HZ PHE 53 -13.761 -8.341 16.512 422 HA PRO 54 HA PRO 54 -13.197 -6.073 10.287 423 1HB PRO 54 2HB PRO 54 -10.773 -7.136 11.436 424 2HB PRO 54 1HB PRO 54 -10.969 -6.276 9.908 425 1HG PRO 54 2HG PRO 54 -9.815 -5.308 12.382 426 2HG PRO 54 1HG PRO 54 -9.896 -4.493 10.819 427 1HD PRO 54 2HD PRO 54 -11.365 -3.830 13.167 428 2HD PRO 54 1HD PRO 54 -11.608 -3.160 11.537 429 H GLU 55 HN GLU 55 -15.064 -6.746 11.735 430 HA GLU 55 HA GLU 55 -15.090 -8.179 14.060 431 1HB GLU 55 2HB GLU 55 -17.008 -7.638 12.592 432 2HB GLU 55 1HB GLU 55 -16.497 -8.908 11.473 433 1HG GLU 55 2HG GLU 55 -16.725 -10.576 13.313 434 2HG GLU 55 1HG GLU 55 -17.328 -9.295 14.366 435 H GLU 56 HN GLU 56 -13.713 -9.266 11.006 436 HA GLU 56 HA GLU 56 -13.506 -12.050 11.439 437 1HB GLU 56 2HB GLU 56 -11.551 -10.051 10.247 438 2HB GLU 56 1HB GLU 56 -11.448 -11.796 10.016 439 1HG GLU 56 2HG GLU 56 -13.749 -11.758 9.037 440 2HG GLU 56 1HG GLU 56 -13.743 -9.999 9.173 441 H LEU 57 HN LEU 57 -12.133 -9.415 13.143 442 HA LEU 57 HA LEU 57 -9.972 -10.999 14.411 443 1HB LEU 57 2HB LEU 57 -10.981 -8.160 14.819 444 2HB LEU 57 1HB LEU 57 -9.498 -8.821 15.502 445 HG LEU 57 HG LEU 57 -10.108 -8.588 12.539 446 1HD1 LEU 57 3HD1 LEU 57 -9.646 -6.448 13.916 447 2HD1 LEU 57 2HD1 LEU 57 -8.009 -7.079 14.100 448 3HD1 LEU 57 1HD1 LEU 57 -8.643 -6.728 12.492 449 1HD2 LEU 57 1HD2 LEU 57 -8.217 -10.165 14.016 450 2HD2 LEU 57 3HD2 LEU 57 -8.409 -10.039 12.267 451 3HD2 LEU 57 2HD2 LEU 57 -7.342 -8.922 13.120 452 H LYS 58 HN LYS 58 -13.164 -11.107 14.721 453 HA LYS 58 HA LYS 58 -14.097 -10.486 17.218 454 1HB LYS 58 2HB LYS 58 -15.559 -11.650 15.827 455 2HB LYS 58 1HB LYS 58 -14.367 -12.884 15.433 456 1HG LYS 58 2HG LYS 58 -14.885 -14.145 17.265 457 2HG LYS 58 1HG LYS 58 -15.114 -12.729 18.293 458 1HD LYS 58 2HD LYS 58 -17.308 -13.444 18.127 459 2HD LYS 58 1HD LYS 58 -17.238 -12.382 16.720 460 1HE LYS 58 2HE LYS 58 -17.882 -14.189 15.494 461 2HE LYS 58 1HE LYS 58 -16.262 -14.846 15.790 462 1HZ LYS 58 3HZ LYS 58 -17.427 -15.336 18.128 463 2HZ LYS 58 2HZ LYS 58 -18.787 -15.452 17.115 464 3HZ LYS 58 1HZ LYS 58 -17.438 -16.450 16.848 465 HA PRO 59 HA PRO 59 -11.947 -14.474 19.080 466 1HB PRO 59 2HB PRO 59 -9.532 -14.752 17.533 467 2HB PRO 59 1HB PRO 59 -10.833 -15.927 17.736 468 1HG PRO 59 2HG PRO 59 -10.225 -14.285 15.421 469 2HG PRO 59 1HG PRO 59 -11.420 -15.575 15.571 470 1HD PRO 59 2HD PRO 59 -11.952 -12.800 15.352 471 2HD PRO 59 1HD PRO 59 -13.126 -14.066 15.773 472 H LEU 60 HN LEU 60 -9.859 -12.087 17.398 473 HA LEU 60 HA LEU 60 -7.887 -11.668 19.323 474 1HB LEU 60 2HB LEU 60 -8.134 -10.658 17.034 475 2HB LEU 60 1HB LEU 60 -9.369 -9.582 17.688 476 HG LEU 60 HG LEU 60 -7.534 -8.990 19.457 477 1HD1 LEU 60 2HD1 LEU 60 -6.144 -10.819 17.771 478 2HD1 LEU 60 1HD1 LEU 60 -5.435 -9.223 17.524 479 3HD1 LEU 60 3HD1 LEU 60 -5.506 -9.914 19.144 480 1HD2 LEU 60 2HD2 LEU 60 -8.480 -7.513 17.632 481 2HD2 LEU 60 1HD2 LEU 60 -6.811 -7.151 18.074 482 3HD2 LEU 60 3HD2 LEU 60 -7.156 -8.056 16.601 483 H CYS 61 HN CYS 61 -11.075 -10.041 19.115 484 HA CYS 61 HA CYS 61 -10.841 -8.458 21.468 485 1HB CYS 61 2HB CYS 61 -12.570 -8.704 19.425 486 2HB CYS 61 1HB CYS 61 -13.459 -9.625 20.637 487 H LYS 62 HN LYS 62 -11.675 -11.850 21.012 488 HA LYS 62 HA LYS 62 -12.768 -12.181 23.707 489 1HB LYS 62 2HB LYS 62 -13.417 -13.480 21.651 490 2HB LYS 62 1HB LYS 62 -11.823 -14.234 21.684 491 1HG LYS 62 2HG LYS 62 -12.265 -15.166 23.896 492 2HG LYS 62 1HG LYS 62 -13.811 -14.322 23.974 493 1HD LYS 62 2HD LYS 62 -14.246 -16.614 23.323 494 2HD LYS 62 1HD LYS 62 -14.523 -15.588 21.916 495 1HE LYS 62 2HE LYS 62 -11.951 -16.102 21.451 496 2HE LYS 62 1HE LYS 62 -12.302 -17.537 22.432 497 1HZ LYS 62 3HZ LYS 62 -13.936 -16.603 20.125 498 2HZ LYS 62 2HZ LYS 62 -12.815 -17.878 20.058 499 3HZ LYS 62 1HZ LYS 62 -14.199 -18.010 21.034 500 H GLU 63 HN GLU 63 -9.638 -11.752 22.583 501 HA GLU 63 HA GLU 63 -8.529 -13.345 24.872 502 1HB GLU 63 2HB GLU 63 -6.508 -13.570 23.347 503 2HB GLU 63 1HB GLU 63 -7.955 -14.403 22.777 504 1HG GLU 63 2HG GLU 63 -8.484 -12.489 21.313 505 2HG GLU 63 1HG GLU 63 -7.045 -11.649 21.887 506 HA PRO 64 HA PRO 64 -6.948 -9.497 26.338 507 1HB PRO 64 2HB PRO 64 -4.614 -10.780 27.429 508 2HB PRO 64 1HB PRO 64 -6.076 -10.271 28.279 509 1HG PRO 64 2HG PRO 64 -5.233 -12.946 27.679 510 2HG PRO 64 1HG PRO 64 -6.706 -12.436 28.505 511 1HD PRO 64 2HD PRO 64 -6.443 -13.519 25.833 512 2HD PRO 64 1HD PRO 64 -7.934 -13.044 26.681 513 H ASN 65 HN ASN 65 -5.380 -11.481 24.045 514 HA ASN 65 HA ASN 65 -2.932 -9.914 23.754 515 1HB ASN 65 2HB ASN 65 -4.319 -11.948 21.978 516 2HB ASN 65 1HB ASN 65 -2.658 -11.391 21.778 517 1HD2 ASN 65 1HD2 ASN 65 -1.841 -11.332 24.512 518 2HD2 ASN 65 2HD2 ASN 65 -1.846 -12.920 25.115 519 H ALA 66 HN ALA 66 -6.197 -9.614 22.601 520 HA ALA 66 HA ALA 66 -6.017 -8.420 20.105 521 1HB ALA 66 2HB ALA 66 -8.154 -8.646 21.064 522 2HB ALA 66 1HB ALA 66 -7.660 -7.875 22.570 523 3HB ALA 66 3HB ALA 66 -7.902 -6.904 21.119 524 H GLN 67 HN GLN 67 -5.284 -6.916 23.241 525 HA GLN 67 HA GLN 67 -4.772 -4.269 22.244 526 1HB GLN 67 2HB GLN 67 -3.780 -5.811 24.663 527 2HB GLN 67 1HB GLN 67 -3.595 -4.070 24.456 528 1HG GLN 67 2HG GLN 67 -6.039 -3.817 24.312 529 2HG GLN 67 1HG GLN 67 -6.238 -5.561 24.477 530 1HE2 GLN 67 1HE2 GLN 67 -7.428 -3.853 26.392 531 2HE2 GLN 67 2HE2 GLN 67 -6.610 -4.015 27.870 532 H GLU 68 HN GLU 68 -2.681 -7.117 22.732 533 HA GLU 68 HA GLU 68 -0.259 -5.689 21.892 534 1HB GLU 68 2HB GLU 68 -0.943 -8.610 22.369 535 2HB GLU 68 1HB GLU 68 0.689 -8.003 22.082 536 1HG GLU 68 2HG GLU 68 -1.132 -7.150 24.357 537 2HG GLU 68 1HG GLU 68 0.243 -8.246 24.502 538 H ILE 69 HN ILE 69 -2.430 -8.162 20.499 539 HA ILE 69 HA ILE 69 -1.061 -8.462 18.000 540 HB ILE 69 HB ILE 69 -3.999 -8.748 18.723 541 1HG1 ILE 69 2HG1 ILE 69 -1.722 -10.755 18.783 542 2HG1 ILE 69 1HG1 ILE 69 -2.523 -10.063 20.195 543 1HG2 ILE 69 3HG2 ILE 69 -2.317 -9.784 16.425 544 2HG2 ILE 69 2HG2 ILE 69 -3.886 -10.470 16.846 545 3HG2 ILE 69 1HG2 ILE 69 -3.769 -8.786 16.333 546 1HD1 ILE 69 3HD1 ILE 69 -4.244 -11.365 18.128 547 2HD1 ILE 69 2HD1 ILE 69 -3.285 -12.414 19.171 548 3HD1 ILE 69 1HD1 ILE 69 -4.451 -11.296 19.878 549 H LEU 70 HN LEU 70 -3.727 -6.321 19.017 550 HA LEU 70 HA LEU 70 -4.392 -5.127 16.562 551 1HB LEU 70 2HB LEU 70 -5.581 -4.742 18.657 552 2HB LEU 70 1HB LEU 70 -4.160 -3.969 19.360 553 HG LEU 70 HG LEU 70 -6.034 -2.442 18.405 554 1HD1 LEU 70 1HD1 LEU 70 -3.487 -1.967 18.935 555 2HD1 LEU 70 3HD1 LEU 70 -3.364 -1.836 17.182 556 3HD1 LEU 70 2HD1 LEU 70 -4.451 -0.772 18.068 557 1HD2 LEU 70 2HD2 LEU 70 -6.290 -3.680 16.278 558 2HD2 LEU 70 1HD2 LEU 70 -5.833 -2.002 15.989 559 3HD2 LEU 70 3HD2 LEU 70 -4.626 -3.281 15.851 560 H GLN 71 HN GLN 71 -1.921 -3.991 18.910 561 HA GLN 71 HA GLN 71 -0.861 -1.791 17.626 562 1HB GLN 71 2HB GLN 71 -0.166 -2.972 19.778 563 2HB GLN 71 1HB GLN 71 0.788 -4.061 18.772 564 1HG GLN 71 2HG GLN 71 1.994 -2.088 17.841 565 2HG GLN 71 1HG GLN 71 1.092 -1.049 18.944 566 1HE2 GLN 71 1HE2 GLN 71 2.304 -0.562 20.772 567 2HE2 GLN 71 2HE2 GLN 71 3.404 -1.613 21.526 568 H ARG 72 HN ARG 72 0.178 -5.163 17.018 569 HA ARG 72 HA ARG 72 1.950 -4.624 14.871 570 1HB ARG 72 2HB ARG 72 0.193 -7.023 15.483 571 2HB ARG 72 1HB ARG 72 1.590 -7.046 14.405 572 1HG ARG 72 2HG ARG 72 3.018 -6.282 16.306 573 2HG ARG 72 1HG ARG 72 1.613 -6.385 17.368 574 1HD ARG 72 2HD ARG 72 1.402 -8.818 16.752 575 2HD ARG 72 1HD ARG 72 2.928 -8.673 15.859 576 HE ARG 72 HE ARG 72 3.790 -7.720 18.164 577 1HH1 ARG 72 1HH1 ARG 72 2.640 -10.740 17.376 578 2HH1 ARG 72 2HH1 ARG 72 2.415 -11.290 19.002 579 1HH2 ARG 72 1HH2 ARG 72 2.977 -8.173 20.415 580 2HH2 ARG 72 2HH2 ARG 72 2.605 -9.837 20.722 581 H LEU 73 HN LEU 73 -1.482 -5.701 14.690 582 HA LEU 73 HA LEU 73 -1.809 -5.679 11.906 583 1HB LEU 73 2HB LEU 73 -3.751 -4.711 14.035 584 2HB LEU 73 1HB LEU 73 -4.184 -5.293 12.428 585 HG LEU 73 HG LEU 73 -2.834 -6.907 14.612 586 1HD1 LEU 73 1HD1 LEU 73 -5.614 -6.701 13.515 587 2HD1 LEU 73 3HD1 LEU 73 -5.037 -8.276 14.059 588 3HD1 LEU 73 2HD1 LEU 73 -5.084 -6.918 15.183 589 1HD2 LEU 73 1HD2 LEU 73 -3.017 -7.248 11.704 590 2HD2 LEU 73 3HD2 LEU 73 -1.991 -8.086 12.868 591 3HD2 LEU 73 2HD2 LEU 73 -3.648 -8.628 12.602 592 H GLU 74 HN GLU 74 -2.507 -2.930 14.103 593 HA GLU 74 HA GLU 74 -3.075 -0.985 12.148 594 1HB GLU 74 2HB GLU 74 -1.600 -0.649 14.780 595 2HB GLU 74 1HB GLU 74 -2.551 0.583 13.950 596 1HG GLU 74 2HG GLU 74 -4.464 -1.227 14.090 597 2HG GLU 74 1HG GLU 74 -3.484 -1.868 15.409 598 H GLU 75 HN GLU 75 0.113 -1.676 13.679 599 HA GLU 75 HA GLU 75 1.669 0.202 12.282 600 1HB GLU 75 2HB GLU 75 2.311 -1.278 14.201 601 2HB GLU 75 1HB GLU 75 2.391 -2.636 13.079 602 1HG GLU 75 2HG GLU 75 4.095 -1.392 11.751 603 2HG GLU 75 1HG GLU 75 4.057 -0.103 12.953 604 H ILE 76 HN ILE 76 1.134 -3.236 11.373 605 HA ILE 76 HA ILE 76 2.489 -3.094 8.862 606 HB ILE 76 HB ILE 76 0.172 -4.814 9.811 607 1HG1 ILE 76 2HG1 ILE 76 3.172 -5.266 9.897 608 2HG1 ILE 76 1HG1 ILE 76 2.164 -4.861 11.286 609 1HG2 ILE 76 2HG2 ILE 76 1.055 -4.637 7.251 610 2HG2 ILE 76 1HG2 ILE 76 2.189 -5.831 7.883 611 3HG2 ILE 76 3HG2 ILE 76 0.453 -6.136 7.961 612 1HD1 ILE 76 3HD1 ILE 76 0.766 -6.960 10.467 613 2HD1 ILE 76 2HD1 ILE 76 2.298 -7.410 9.717 614 3HD1 ILE 76 1HD1 ILE 76 2.207 -7.177 11.462 615 H ALA 77 HN ALA 77 -0.839 -2.358 9.811 616 HA ALA 77 HA ALA 77 -2.055 -2.156 7.257 617 1HB ALA 77 3HB ALA 77 -2.447 -1.154 10.011 618 2HB ALA 77 1HB ALA 77 -3.613 -1.891 8.911 619 3HB ALA 77 2HB ALA 77 -3.222 -0.178 8.763 620 H GLU 78 HN GLU 78 0.003 0.110 9.037 621 HA GLU 78 HA GLU 78 -0.375 2.429 7.431 622 1HB GLU 78 2HB GLU 78 0.787 2.237 9.646 623 2HB GLU 78 1HB GLU 78 2.133 1.442 8.829 624 1HG GLU 78 2HG GLU 78 2.390 3.455 7.376 625 2HG GLU 78 1HG GLU 78 1.111 4.248 8.295 626 H ASP 79 HN ASP 79 1.879 -0.315 7.071 627 HA ASP 79 HA ASP 79 2.138 0.302 4.186 628 1HB ASP 79 2HB ASP 79 4.705 0.179 4.563 629 2HB ASP 79 1HB ASP 79 3.885 1.672 5.011 630 HA PRO 80 HA PRO 80 2.444 -4.054 3.749 631 1HB PRO 80 2HB PRO 80 4.660 -3.955 1.920 632 2HB PRO 80 1HB PRO 80 2.947 -4.147 1.542 633 1HG PRO 80 2HG PRO 80 4.607 -1.841 1.101 634 2HG PRO 80 1HG PRO 80 2.898 -2.043 0.705 635 1HD PRO 80 2HD PRO 80 4.044 -0.415 2.788 636 2HD PRO 80 1HD PRO 80 2.321 -0.644 2.409 637 H GLY 81 HN GLY 81 5.799 -2.747 3.560 638 1HA GLY 81 1HA GLY 81 6.540 -4.056 6.051 639 2HA GLY 81 2HA GLY 81 7.637 -3.210 4.959 640 H THR 82 HN THR 82 7.638 -5.998 6.282 641 HA THR 82 HA THR 82 8.776 -7.398 3.967 642 HB THR 82 HB THR 82 9.402 -9.024 5.706 643 HG1 THR 82 1HG THR 82 7.526 -9.006 6.922 644 1HG2 THR 82 1HG2 THR 82 9.799 -6.104 6.063 645 2HG2 THR 82 3HG2 THR 82 10.243 -7.123 7.433 646 3HG2 THR 82 2HG2 THR 82 10.993 -7.387 5.858 647 H CYS 83 HN CYS 83 5.757 -7.360 5.701 648 HA CYS 83 HA CYS 83 4.771 -9.974 5.224 649 1HB CYS 83 2HB CYS 83 3.821 -7.877 6.484 650 2HB CYS 83 1HB CYS 83 3.072 -7.503 4.932 651 H GLU 84 HN GLU 84 4.490 -7.068 3.146 652 HA GLU 84 HA GLU 84 3.109 -8.279 0.983 653 1HB GLU 84 2HB GLU 84 3.501 -5.851 1.400 654 2HB GLU 84 1HB GLU 84 5.192 -6.075 0.953 655 1HG GLU 84 2HG GLU 84 4.430 -6.939 -1.274 656 2HG GLU 84 1HG GLU 84 2.773 -6.542 -0.819 657 H ILE 85 HN ILE 85 6.571 -8.265 1.780 658 HA ILE 85 HA ILE 85 7.177 -9.662 -0.780 659 HB ILE 85 HB ILE 85 9.459 -9.075 -0.269 660 1HG1 ILE 85 2HG1 ILE 85 8.374 -8.517 2.500 661 2HG1 ILE 85 1HG1 ILE 85 9.611 -9.689 2.046 662 1HG2 ILE 85 2HG2 ILE 85 7.444 -7.208 -0.547 663 2HG2 ILE 85 1HG2 ILE 85 8.301 -6.631 0.882 664 3HG2 ILE 85 3HG2 ILE 85 9.170 -6.855 -0.637 665 1HD1 ILE 85 2HD1 ILE 85 10.801 -7.497 1.088 666 2HD1 ILE 85 1HD1 ILE 85 9.812 -6.721 2.325 667 3HD1 ILE 85 3HD1 ILE 85 10.971 -7.969 2.779 668 H CYS 86 HN CYS 86 5.982 -10.657 2.037 669 HA CYS 86 HA CYS 86 6.043 -12.702 3.216 670 1HB CYS 86 2HB CYS 86 7.292 -13.275 0.534 671 2HB CYS 86 1HB CYS 86 7.147 -14.551 1.743 672 H ALA 87 HN ALA 87 8.522 -10.730 3.119 673 HA ALA 87 HA ALA 87 10.894 -12.254 3.540 674 1HB ALA 87 3HB ALA 87 11.082 -10.004 5.158 675 2HB ALA 87 1HB ALA 87 9.864 -9.540 3.970 676 3HB ALA 87 2HB ALA 87 11.464 -10.057 3.437 677 H TYR 88 HN TYR 88 8.082 -11.832 5.518 678 HA TYR 88 HA TYR 88 9.404 -13.393 7.698 679 1HB TYR 88 2HB TYR 88 8.089 -10.700 7.773 680 2HB TYR 88 1HB TYR 88 7.921 -11.753 9.176 681 HD1 TYR 88 HD1 TYR 88 10.233 -12.984 9.855 682 HD2 TYR 88 HD2 TYR 88 9.905 -9.251 7.755 683 HE1 TYR 88 HE1 TYR 88 12.524 -12.370 10.585 684 HE2 TYR 88 HE2 TYR 88 12.194 -8.638 8.483 685 HH TYR 88 HH TYR 88 13.908 -10.455 10.878 686 H ALA 89 HN ALA 89 7.534 -14.024 9.339 687 HA ALA 89 HA ALA 89 5.547 -15.522 7.836 688 1HB ALA 89 3HB ALA 89 6.738 -15.434 10.432 689 2HB ALA 89 2HB ALA 89 4.988 -15.377 10.641 690 3HB ALA 89 1HB ALA 89 5.727 -16.706 9.748 691 H ALA 90 HN ALA 90 5.649 -12.301 8.588 692 HA ALA 90 HA ALA 90 3.127 -11.669 9.719 693 1HB ALA 90 3HB ALA 90 5.321 -10.400 8.322 694 2HB ALA 90 1HB ALA 90 4.220 -9.704 9.511 695 3HB ALA 90 2HB ALA 90 3.785 -9.708 7.801 696 H CYS 91 HN CYS 91 4.032 -12.221 6.310 697 HA CYS 91 HA CYS 91 1.124 -12.101 5.593 698 1HB CYS 91 2HB CYS 91 3.662 -11.217 4.399 699 2HB CYS 91 1HB CYS 91 2.577 -12.011 3.258 700 H THR 92 HN THR 92 0.214 -14.072 5.183 701 HA THR 92 HA THR 92 2.001 -16.358 4.461 702 HB THR 92 HB THR 92 0.242 -17.714 5.398 703 HG1 THR 92 1HG THR 92 -1.590 -16.118 6.210 704 1HG2 THR 92 1HG2 THR 92 1.507 -15.624 6.821 705 2HG2 THR 92 3HG2 THR 92 -0.155 -15.689 7.408 706 3HG2 THR 92 2HG2 THR 92 0.861 -17.129 7.477 707 H GLY 93 HN GLY 93 0.715 -18.021 3.009 708 1HA GLY 93 1HA GLY 93 -0.956 -16.636 0.979 709 2HA GLY 93 2HA GLY 93 -0.773 -18.385 1.137 710 H CYS 94 HN CYS 94 2.210 -16.913 1.486 711 HA CYS 94 HA CYS 94 2.846 -16.749 -1.398 712 1HB CYS 94 2HB CYS 94 4.292 -16.226 1.206 713 2HB CYS 94 1HB CYS 94 5.116 -16.129 -0.350 No H/Q in entry = 713 Start of MODEL 21 1 H1 VAL 1 3H VAL 1 -2.360 -10.742 0.224 2 H2 VAL 1 2H VAL 1 -1.008 -10.823 -0.801 3 H3 VAL 1 1H VAL 1 -1.369 -12.118 0.237 4 HA VAL 1 HA VAL 1 0.269 -11.126 1.470 5 HB VAL 1 HB VAL 1 0.582 -9.443 -0.321 6 1HG1 VAL 1 3HG1 VAL 1 -2.076 -8.735 0.437 7 2HG1 VAL 1 2HG1 VAL 1 -1.047 -7.332 0.726 8 3HG1 VAL 1 1HG1 VAL 1 -1.108 -8.066 -0.876 9 1HG2 VAL 1 1HG2 VAL 1 0.559 -8.638 2.569 10 2HG2 VAL 1 3HG2 VAL 1 1.932 -8.882 1.488 11 3HG2 VAL 1 2HG2 VAL 1 0.951 -7.423 1.352 12 H THR 2 HN THR 2 -1.901 -12.032 2.689 13 HA THR 2 HA THR 2 -3.327 -9.879 4.128 14 HB THR 2 HB THR 2 -3.457 -12.899 4.389 15 HG1 THR 2 1HG THR 2 -5.467 -12.239 3.055 16 1HG2 THR 2 2HG2 THR 2 -5.245 -10.621 5.255 17 2HG2 THR 2 1HG2 THR 2 -5.837 -12.276 5.112 18 3HG2 THR 2 3HG2 THR 2 -4.548 -11.898 6.253 19 H VAL 3 HN VAL 3 -3.166 -9.551 6.364 20 HA VAL 3 HA VAL 3 -0.649 -10.523 7.632 21 HB VAL 3 HB VAL 3 -2.623 -8.285 8.113 22 1HG1 VAL 3 2HG1 VAL 3 -0.364 -9.203 9.915 23 2HG1 VAL 3 1HG1 VAL 3 -1.201 -7.660 10.074 24 3HG1 VAL 3 3HG1 VAL 3 -2.080 -9.169 10.320 25 1HG2 VAL 3 2HG2 VAL 3 0.235 -8.573 7.245 26 2HG2 VAL 3 1HG2 VAL 3 -1.043 -7.571 6.556 27 3HG2 VAL 3 3HG2 VAL 3 -0.264 -7.095 8.065 28 H GLN 4 HN GLN 4 -0.863 -12.321 8.932 29 HA GLN 4 HA GLN 4 -3.479 -12.706 10.352 30 1HB GLN 4 2HB GLN 4 -3.153 -15.071 10.006 31 2HB GLN 4 1HB GLN 4 -2.854 -14.276 8.461 32 1HG GLN 4 2HG GLN 4 -0.469 -14.419 8.759 33 2HG GLN 4 1HG GLN 4 -0.653 -14.946 10.432 34 1HE2 GLN 4 1HE2 GLN 4 0.783 -16.537 8.526 35 2HE2 GLN 4 2HE2 GLN 4 -0.096 -17.962 8.248 36 H ASP 5 HN ASP 5 -3.082 -14.328 12.280 37 HA ASP 5 HA ASP 5 -0.478 -13.916 13.635 38 1HB ASP 5 2HB ASP 5 -1.930 -11.929 14.088 39 2HB ASP 5 1HB ASP 5 -3.133 -13.012 14.789 40 H GLY 6 HN GLY 6 -3.808 -14.890 14.489 41 1HA GLY 6 1HA GLY 6 -4.466 -16.731 15.851 42 2HA GLY 6 2HA GLY 6 -2.771 -17.212 15.966 43 H ASN 7 HN ASN 7 -5.700 -18.060 14.617 44 HA ASN 7 HA ASN 7 -4.327 -19.797 12.600 45 1HB ASN 7 2HB ASN 7 -6.954 -20.036 14.104 46 2HB ASN 7 1HB ASN 7 -6.352 -21.222 12.947 47 1HD2 ASN 7 1HD2 ASN 7 -6.791 -21.901 15.703 48 2HD2 ASN 7 2HD2 ASN 7 -5.286 -22.221 16.420 49 H PHE 8 HN PHE 8 -5.701 -16.915 12.508 50 HA PHE 8 HA PHE 8 -7.188 -17.481 9.967 51 1HB PHE 8 2HB PHE 8 -7.877 -15.571 12.224 52 2HB PHE 8 1HB PHE 8 -8.756 -15.675 10.698 53 HD1 PHE 8 HD1 PHE 8 -9.871 -17.857 10.061 54 HD2 PHE 8 HD2 PHE 8 -8.262 -17.134 13.978 55 HE1 PHE 8 HE1 PHE 8 -11.211 -19.741 10.960 56 HE2 PHE 8 HE2 PHE 8 -9.602 -19.019 14.876 57 HZ PHE 8 HZ PHE 8 -11.076 -20.322 13.367 58 H SER 9 HN SER 9 -7.167 -15.629 8.462 59 HA SER 9 HA SER 9 -4.676 -14.011 8.746 60 1HB SER 9 2HB SER 9 -6.492 -14.570 6.378 61 2HB SER 9 1HB SER 9 -4.914 -13.785 6.307 62 HG SER 9 HG SER 9 -4.006 -15.661 6.390 63 H PHE 10 HN PHE 10 -4.789 -11.783 8.920 64 HA PHE 10 HA PHE 10 -7.520 -10.556 8.855 65 1HB PHE 10 2HB PHE 10 -5.005 -9.593 10.246 66 2HB PHE 10 1HB PHE 10 -6.654 -9.034 10.524 67 HD1 PHE 10 HD1 PHE 10 -7.780 -11.987 10.209 68 HD2 PHE 10 HD2 PHE 10 -4.728 -10.177 12.631 69 HE1 PHE 10 HE1 PHE 10 -8.095 -13.748 11.926 70 HE2 PHE 10 HE2 PHE 10 -5.045 -11.939 14.348 71 HZ PHE 10 HZ PHE 10 -6.729 -13.723 13.996 72 H SER 11 HN SER 11 -7.862 -9.179 7.150 73 HA SER 11 HA SER 11 -5.802 -8.411 5.298 74 1HB SER 11 2HB SER 11 -8.536 -7.194 5.816 75 2HB SER 11 1HB SER 11 -7.618 -7.099 4.314 76 HG SER 11 HG SER 11 -9.241 -9.050 5.194 77 H LEU 12 HN LEU 12 -5.083 -6.163 4.891 78 HA LEU 12 HA LEU 12 -4.444 -4.763 7.405 79 1HB LEU 12 2HB LEU 12 -3.734 -4.310 4.490 80 2HB LEU 12 1HB LEU 12 -3.019 -3.435 5.843 81 HG LEU 12 HG LEU 12 -2.921 -6.443 5.469 82 1HD1 LEU 12 2HD1 LEU 12 -1.534 -4.763 3.949 83 2HD1 LEU 12 1HD1 LEU 12 -0.520 -4.658 5.387 84 3HD1 LEU 12 3HD1 LEU 12 -0.781 -6.217 4.605 85 1HD2 LEU 12 1HD2 LEU 12 -2.434 -4.689 7.723 86 2HD2 LEU 12 3HD2 LEU 12 -2.408 -6.452 7.664 87 3HD2 LEU 12 2HD2 LEU 12 -0.955 -5.534 7.268 88 H GLU 13 HN GLU 13 -6.551 -4.335 4.625 89 HA GLU 13 HA GLU 13 -7.054 -1.538 4.834 90 1HB GLU 13 2HB GLU 13 -7.678 -3.162 2.994 91 2HB GLU 13 1HB GLU 13 -8.995 -3.722 4.026 92 1HG GLU 13 2HG GLU 13 -9.905 -1.429 4.110 93 2HG GLU 13 1HG GLU 13 -8.583 -0.865 3.086 94 H SER 14 HN SER 14 -9.309 -4.119 5.929 95 HA SER 14 HA SER 14 -11.060 -2.607 7.449 96 1HB SER 14 2HB SER 14 -9.875 -5.225 8.391 97 2HB SER 14 1HB SER 14 -11.526 -4.648 8.610 98 HG SER 14 HG SER 14 -11.325 -6.180 6.903 99 H VAL 15 HN VAL 15 -7.967 -3.980 8.619 100 HA VAL 15 HA VAL 15 -8.092 -2.942 11.257 101 HB VAL 15 HB VAL 15 -5.820 -3.614 9.374 102 1HG1 VAL 15 3HG1 VAL 15 -5.309 -1.994 11.358 103 2HG1 VAL 15 2HG1 VAL 15 -5.568 -3.416 12.369 104 3HG1 VAL 15 1HG1 VAL 15 -4.291 -3.419 11.153 105 1HG2 VAL 15 2HG2 VAL 15 -7.612 -5.057 11.235 106 2HG2 VAL 15 1HG2 VAL 15 -6.732 -5.658 9.826 107 3HG2 VAL 15 3HG2 VAL 15 -5.903 -5.481 11.375 108 H LYS 16 HN LYS 16 -6.609 -1.501 8.308 109 HA LYS 16 HA LYS 16 -5.674 0.893 9.551 110 1HB LYS 16 2HB LYS 16 -5.097 0.137 7.261 111 2HB LYS 16 1HB LYS 16 -6.766 0.403 6.755 112 1HG LYS 16 2HG LYS 16 -6.512 2.815 7.430 113 2HG LYS 16 1HG LYS 16 -4.803 2.501 7.727 114 1HD LYS 16 2HD LYS 16 -4.484 1.847 5.391 115 2HD LYS 16 1HD LYS 16 -6.208 2.047 5.077 116 1HE LYS 16 2HE LYS 16 -4.960 4.426 6.292 117 2HE LYS 16 1HE LYS 16 -4.322 4.021 4.687 118 1HZ LYS 16 1HZ LYS 16 -6.663 3.735 3.955 119 2HZ LYS 16 3HZ LYS 16 -7.179 4.332 5.456 120 3HZ LYS 16 2HZ LYS 16 -6.295 5.331 4.405 121 H LYS 17 HN LYS 17 -8.743 0.256 7.812 122 HA LYS 17 HA LYS 17 -9.934 2.775 8.726 123 1HB LYS 17 2HB LYS 17 -11.050 0.314 7.335 124 2HB LYS 17 1HB LYS 17 -11.890 1.854 7.498 125 1HG LYS 17 2HG LYS 17 -10.089 2.971 6.229 126 2HG LYS 17 1HG LYS 17 -9.251 1.427 6.063 127 1HD LYS 17 2HD LYS 17 -11.245 0.507 4.887 128 2HD LYS 17 1HD LYS 17 -12.015 2.089 4.998 129 1HE LYS 17 2HE LYS 17 -9.971 3.026 3.773 130 2HE LYS 17 1HE LYS 17 -9.526 1.342 3.440 131 1HZ LYS 17 2HZ LYS 17 -12.313 2.092 3.008 132 2HZ LYS 17 1HZ LYS 17 -11.190 2.703 1.889 133 3HZ LYS 17 3HZ LYS 17 -11.330 1.029 2.120 134 H LEU 18 HN LEU 18 -9.111 0.211 10.472 135 HA LEU 18 HA LEU 18 -11.422 -0.862 11.691 136 1HB LEU 18 2HB LEU 18 -9.180 -1.739 11.972 137 2HB LEU 18 1HB LEU 18 -8.630 -0.225 12.692 138 HG LEU 18 HG LEU 18 -10.203 -0.580 14.583 139 1HD1 LEU 18 3HD1 LEU 18 -11.480 -2.303 12.870 140 2HD1 LEU 18 2HD1 LEU 18 -10.606 -3.424 13.913 141 3HD1 LEU 18 1HD1 LEU 18 -11.735 -2.265 14.614 142 1HD2 LEU 18 1HD2 LEU 18 -7.759 -1.784 14.128 143 2HD2 LEU 18 3HD2 LEU 18 -8.610 -1.785 15.674 144 3HD2 LEU 18 2HD2 LEU 18 -8.773 -3.157 14.577 145 H LYS 19 HN LYS 19 -9.660 2.167 12.345 146 HA LYS 19 HA LYS 19 -11.010 2.907 14.754 147 1HB LYS 19 2HB LYS 19 -8.966 3.964 13.807 148 2HB LYS 19 1HB LYS 19 -9.933 4.622 12.486 149 1HG LYS 19 2HG LYS 19 -11.346 5.809 14.179 150 2HG LYS 19 1HG LYS 19 -10.254 5.238 15.440 151 1HD LYS 19 2HD LYS 19 -8.365 6.365 14.237 152 2HD LYS 19 1HD LYS 19 -9.537 7.031 13.101 153 1HE LYS 19 2HE LYS 19 -9.449 8.781 14.635 154 2HE LYS 19 1HE LYS 19 -10.720 7.803 15.395 155 1HZ LYS 19 3HZ LYS 19 -7.834 7.350 15.918 156 2HZ LYS 19 2HZ LYS 19 -8.756 8.426 16.855 157 3HZ LYS 19 1HZ LYS 19 -9.160 6.777 16.807 158 H ASP 20 HN ASP 20 -11.823 3.389 11.333 159 HA ASP 20 HA ASP 20 -14.635 3.987 12.133 160 1HB ASP 20 2HB ASP 20 -13.331 6.099 11.790 161 2HB ASP 20 1HB ASP 20 -12.977 5.575 10.144 162 H LEU 21 HN LEU 21 -15.943 2.632 10.962 163 HA LEU 21 HA LEU 21 -15.115 0.764 9.062 164 1HB LEU 21 2HB LEU 21 -17.696 2.154 9.710 165 2HB LEU 21 1HB LEU 21 -17.644 1.047 8.338 166 HG LEU 21 HG LEU 21 -18.313 -0.064 10.486 167 1HD1 LEU 21 1HD1 LEU 21 -15.777 -0.868 9.055 168 2HD1 LEU 21 3HD1 LEU 21 -16.482 -1.877 10.317 169 3HD1 LEU 21 2HD1 LEU 21 -17.401 -1.523 8.855 170 1HD2 LEU 21 1HD2 LEU 21 -16.881 1.328 11.962 171 2HD2 LEU 21 3HD2 LEU 21 -16.590 -0.394 12.203 172 3HD2 LEU 21 2HD2 LEU 21 -15.450 0.570 11.265 173 H GLN 22 HN GLN 22 -16.522 3.995 8.384 174 HA GLN 22 HA GLN 22 -16.543 5.231 6.359 175 1HB GLN 22 2HB GLN 22 -13.822 3.885 6.312 176 2HB GLN 22 1HB GLN 22 -14.258 5.309 5.370 177 1HG GLN 22 2HG GLN 22 -14.691 6.569 7.426 178 2HG GLN 22 1HG GLN 22 -14.344 5.139 8.397 179 1HE2 GLN 22 1HE2 GLN 22 -12.802 7.503 8.751 180 2HE2 GLN 22 2HE2 GLN 22 -11.228 7.222 8.184 181 H GLU 23 HN GLU 23 -18.065 3.048 5.907 182 HA GLU 23 HA GLU 23 -18.704 1.405 4.314 183 1HB GLU 23 2HB GLU 23 -17.567 3.813 2.936 184 2HB GLU 23 1HB GLU 23 -18.036 2.429 1.948 185 1HG GLU 23 2HG GLU 23 -20.020 3.680 2.038 186 2HG GLU 23 1HG GLU 23 -20.250 2.507 3.335 187 HA PRO 24 HA PRO 24 -14.388 -0.374 4.249 188 1HB PRO 24 2HB PRO 24 -15.646 -2.838 5.039 189 2HB PRO 24 1HB PRO 24 -14.554 -1.821 5.983 190 1HG PRO 24 2HG PRO 24 -17.379 -2.182 6.344 191 2HG PRO 24 1HG PRO 24 -16.289 -1.158 7.280 192 1HD PRO 24 2HD PRO 24 -18.311 -0.332 5.388 193 2HD PRO 24 1HD PRO 24 -17.220 0.700 6.343 194 H GLN 25 HN GLN 25 -13.636 -1.377 2.397 195 HA GLN 25 HA GLN 25 -15.444 -3.148 0.839 196 1HB GLN 25 2HB GLN 25 -15.756 -0.737 0.147 197 2HB GLN 25 1HB GLN 25 -14.059 -0.714 -0.331 198 1HG GLN 25 2HG GLN 25 -14.472 -2.558 -1.912 199 2HG GLN 25 1HG GLN 25 -16.166 -2.607 -1.421 200 1HE2 GLN 25 1HE2 GLN 25 -15.644 -2.105 -4.112 201 2HE2 GLN 25 2HE2 GLN 25 -15.961 -0.478 -4.477 202 H GLU 26 HN GLU 26 -14.161 -4.154 -1.027 203 HA GLU 26 HA GLU 26 -11.236 -4.306 -0.385 204 1HB GLU 26 2HB GLU 26 -13.375 -6.329 -0.365 205 2HB GLU 26 1HB GLU 26 -11.946 -6.821 -1.273 206 1HG GLU 26 2HG GLU 26 -10.563 -6.093 0.733 207 2HG GLU 26 1HG GLU 26 -12.080 -5.930 1.618 208 HA PRO 27 HA PRO 27 -12.309 -3.489 -4.925 209 1HB PRO 27 2HB PRO 27 -10.364 -1.374 -4.804 210 2HB PRO 27 1HB PRO 27 -12.106 -1.235 -5.051 211 1HG PRO 27 2HG PRO 27 -10.593 -0.527 -2.715 212 2HG PRO 27 1HG PRO 27 -12.335 -0.386 -2.962 213 1HD PRO 27 2HD PRO 27 -10.932 -2.265 -1.276 214 2HD PRO 27 1HD PRO 27 -12.687 -2.123 -1.528 215 H ARG 28 HN ARG 28 -10.833 -4.002 -6.668 216 HA ARG 28 HA ARG 28 -8.326 -5.331 -5.754 217 1HB ARG 28 2HB ARG 28 -8.515 -6.514 -7.874 218 2HB ARG 28 1HB ARG 28 -10.095 -6.518 -7.091 219 1HG ARG 28 2HG ARG 28 -10.716 -4.511 -8.456 220 2HG ARG 28 1HG ARG 28 -9.178 -4.660 -9.307 221 1HD ARG 28 2HD ARG 28 -10.846 -5.794 -10.651 222 2HD ARG 28 1HD ARG 28 -9.874 -7.058 -9.876 223 HE ARG 28 HE ARG 28 -11.877 -6.564 -8.031 224 1HH1 ARG 28 1HH1 ARG 28 -11.402 -8.533 -10.644 225 2HH1 ARG 28 2HH1 ARG 28 -13.076 -8.820 -10.986 226 1HH2 ARG 28 1HH2 ARG 28 -14.216 -6.396 -8.784 227 2HH2 ARG 28 2HH2 ARG 28 -14.668 -7.610 -9.932 228 H VAL 29 HN VAL 29 -6.318 -4.586 -6.421 229 HA VAL 29 HA VAL 29 -4.724 -3.105 -7.349 230 HB VAL 29 HB VAL 29 -6.915 -3.228 -9.438 231 1HG1 VAL 29 1HG1 VAL 29 -4.278 -1.774 -9.435 232 2HG1 VAL 29 3HG1 VAL 29 -4.942 -2.408 -10.940 233 3HG1 VAL 29 2HG1 VAL 29 -5.848 -1.215 -10.011 234 1HG2 VAL 29 3HG2 VAL 29 -4.632 -4.869 -8.663 235 2HG2 VAL 29 2HG2 VAL 29 -5.966 -5.253 -9.752 236 3HG2 VAL 29 1HG2 VAL 29 -4.551 -4.393 -10.360 237 H GLY 30 HN GLY 30 -4.588 -1.220 -6.153 238 1HA GLY 30 1HA GLY 30 -6.639 0.584 -5.540 239 2HA GLY 30 2HA GLY 30 -5.956 1.153 -7.064 240 H LYS 31 HN LYS 31 -5.720 2.787 -4.869 241 HA LYS 31 HA LYS 31 -2.896 3.250 -4.694 242 1HB LYS 31 2HB LYS 31 -4.719 4.933 -4.462 243 2HB LYS 31 1HB LYS 31 -5.177 4.196 -2.927 244 1HG LYS 31 2HG LYS 31 -2.872 4.652 -2.073 245 2HG LYS 31 1HG LYS 31 -2.514 5.493 -3.582 246 1HD LYS 31 2HD LYS 31 -4.444 7.025 -3.124 247 2HD LYS 31 1HD LYS 31 -4.653 6.234 -1.561 248 1HE LYS 31 2HE LYS 31 -2.099 6.801 -1.241 249 2HE LYS 31 1HE LYS 31 -2.414 8.016 -2.494 250 1HZ LYS 31 2HZ LYS 31 -4.581 8.292 -0.976 251 2HZ LYS 31 1HZ LYS 31 -3.466 7.826 0.217 252 3HZ LYS 31 3HZ LYS 31 -3.166 9.200 -0.731 253 H LEU 32 HN LEU 32 -1.468 2.904 -2.909 254 HA LEU 32 HA LEU 32 -1.853 0.470 -1.410 255 1HB LEU 32 2HB LEU 32 0.098 2.764 -1.012 256 2HB LEU 32 1HB LEU 32 0.309 1.108 -0.442 257 HG LEU 32 HG LEU 32 0.105 1.989 -3.339 258 1HD1 LEU 32 1HD1 LEU 32 2.404 0.832 -1.730 259 2HD1 LEU 32 3HD1 LEU 32 2.445 1.207 -3.453 260 3HD1 LEU 32 2HD1 LEU 32 2.271 2.506 -2.273 261 1HD2 LEU 32 3HD2 LEU 32 -0.029 -0.657 -1.977 262 2HD2 LEU 32 2HD2 LEU 32 -0.770 -0.133 -3.489 263 3HD2 LEU 32 1HD2 LEU 32 0.939 -0.567 -3.449 264 H ARG 33 HN ARG 33 -2.051 0.289 0.933 265 HA ARG 33 HA ARG 33 -3.682 2.487 2.114 266 1HB ARG 33 2HB ARG 33 -3.155 -0.365 3.012 267 2HB ARG 33 1HB ARG 33 -4.386 0.720 3.661 268 1HG ARG 33 2HG ARG 33 -4.244 -0.193 0.771 269 2HG ARG 33 1HG ARG 33 -5.310 -0.891 1.991 270 1HD ARG 33 2HD ARG 33 -6.278 1.423 2.350 271 2HD ARG 33 1HD ARG 33 -5.343 1.959 0.941 272 HE ARG 33 HE ARG 33 -7.781 0.546 0.746 273 1HH1 ARG 33 1HH1 ARG 33 -5.808 -1.742 0.360 274 2HH1 ARG 33 2HH1 ARG 33 -5.628 -1.744 -1.363 275 1HH2 ARG 33 1HH2 ARG 33 -6.998 1.415 -1.774 276 2HH2 ARG 33 2HH2 ARG 33 -6.302 0.044 -2.571 277 H ASN 34 HN ASN 34 -2.798 3.785 3.671 278 HA ASN 34 HA ASN 34 -0.452 2.771 5.229 279 1HB ASN 34 2HB ASN 34 0.684 4.882 4.812 280 2HB ASN 34 1HB ASN 34 0.194 4.204 3.260 281 1HD2 ASN 34 1HD2 ASN 34 0.635 7.014 3.563 282 2HD2 ASN 34 2HD2 ASN 34 -0.854 7.814 3.403 283 H PHE 35 HN PHE 35 -0.303 3.703 7.353 284 HA PHE 35 HA PHE 35 -2.545 5.500 8.181 285 1HB PHE 35 2HB PHE 35 -3.134 3.118 8.572 286 2HB PHE 35 1HB PHE 35 -1.673 2.927 9.540 287 HD1 PHE 35 HD1 PHE 35 -4.973 4.598 9.349 288 HD2 PHE 35 HD2 PHE 35 -1.522 3.802 11.780 289 HE1 PHE 35 HE1 PHE 35 -6.178 5.456 11.340 290 HE2 PHE 35 HE2 PHE 35 -2.727 4.660 13.771 291 HZ PHE 35 HZ PHE 35 -5.054 5.487 13.551 292 H ALA 36 HN ALA 36 -2.072 6.636 10.214 293 HA ALA 36 HA ALA 36 0.574 7.646 10.427 294 1HB ALA 36 3HB ALA 36 -1.540 7.530 12.595 295 2HB ALA 36 2HB ALA 36 -0.308 8.771 12.371 296 3HB ALA 36 1HB ALA 36 -1.633 8.624 11.216 297 HA PRO 37 HA PRO 37 2.547 4.247 12.533 298 1HB PRO 37 2HB PRO 37 4.670 6.028 13.296 299 2HB PRO 37 1HB PRO 37 4.671 4.830 12.000 300 1HG PRO 37 2HG PRO 37 4.612 7.679 11.746 301 2HG PRO 37 1HG PRO 37 4.553 6.481 10.451 302 1HD PRO 37 2HD PRO 37 2.408 8.174 11.432 303 2HD PRO 37 1HD PRO 37 2.376 7.035 10.065 304 H ILE 38 HN ILE 38 0.554 4.964 14.112 305 HA ILE 38 HA ILE 38 1.821 5.818 16.697 306 HB ILE 38 HB ILE 38 -1.079 6.273 16.293 307 1HG1 ILE 38 2HG1 ILE 38 -0.233 6.815 14.037 308 2HG1 ILE 38 1HG1 ILE 38 -0.728 8.275 14.892 309 1HG2 ILE 38 3HG2 ILE 38 0.551 7.025 18.197 310 2HG2 ILE 38 2HG2 ILE 38 1.002 8.300 17.065 311 3HG2 ILE 38 1HG2 ILE 38 -0.668 8.161 17.614 312 1HD1 ILE 38 2HD1 ILE 38 2.022 7.721 15.514 313 2HD1 ILE 38 1HD1 ILE 38 1.818 7.697 13.762 314 3HD1 ILE 38 3HD1 ILE 38 1.346 9.124 14.686 315 HA PRO 39 HA PRO 39 -0.177 1.543 16.865 316 1HB PRO 39 2HB PRO 39 2.189 0.715 18.276 317 2HB PRO 39 1HB PRO 39 1.636 0.196 16.681 318 1HG PRO 39 2HG PRO 39 3.856 1.909 17.310 319 2HG PRO 39 1HG PRO 39 3.307 1.385 15.717 320 1HD PRO 39 2HD PRO 39 3.080 4.013 16.893 321 2HD PRO 39 1HD PRO 39 2.522 3.481 15.290 322 H GLY 40 HN GLY 40 -1.141 0.735 18.794 323 1HA GLY 40 1HA GLY 40 -0.489 2.254 21.287 324 2HA GLY 40 2HA GLY 40 -1.016 0.573 21.298 325 H GLU 41 HN GLU 41 -3.078 0.799 19.355 326 HA GLU 41 HA GLU 41 -5.045 2.495 20.855 327 1HB GLU 41 2HB GLU 41 -5.042 1.977 17.872 328 2HB GLU 41 1HB GLU 41 -5.950 3.206 18.754 329 1HG GLU 41 2HG GLU 41 -3.525 3.975 19.512 330 2HG GLU 41 1HG GLU 41 -3.043 3.146 18.032 331 HA PRO 42 HA PRO 42 -6.293 -2.019 20.638 332 1HB PRO 42 2HB PRO 42 -7.332 -1.612 23.292 333 2HB PRO 42 1HB PRO 42 -5.966 -2.616 22.801 334 1HG PRO 42 2HG PRO 42 -5.904 -0.115 24.219 335 2HG PRO 42 1HG PRO 42 -4.540 -1.129 23.745 336 1HD PRO 42 2HD PRO 42 -5.316 1.415 22.633 337 2HD PRO 42 1HD PRO 42 -3.958 0.378 22.136 338 H VAL 43 HN VAL 43 -8.428 -2.607 20.096 339 HA VAL 43 HA VAL 43 -10.614 -0.687 20.777 340 HB VAL 43 HB VAL 43 -11.326 -0.878 18.362 341 1HG1 VAL 43 2HG1 VAL 43 -9.849 0.978 19.375 342 2HG1 VAL 43 1HG1 VAL 43 -8.500 0.167 18.580 343 3HG1 VAL 43 3HG1 VAL 43 -9.832 0.811 17.619 344 1HG2 VAL 43 2HG2 VAL 43 -9.631 -3.000 18.272 345 2HG2 VAL 43 1HG2 VAL 43 -10.141 -2.106 16.840 346 3HG2 VAL 43 3HG2 VAL 43 -8.592 -1.741 17.603 347 H VAL 44 HN VAL 44 -10.446 -3.021 22.156 348 HA VAL 44 HA VAL 44 -12.610 -4.676 20.914 349 HB VAL 44 HB VAL 44 -11.419 -6.682 21.655 350 1HG1 VAL 44 1HG1 VAL 44 -10.842 -5.628 19.445 351 2HG1 VAL 44 3HG1 VAL 44 -9.483 -4.830 20.238 352 3HG1 VAL 44 2HG1 VAL 44 -9.535 -6.590 20.137 353 1HG2 VAL 44 1HG2 VAL 44 -10.381 -5.408 23.648 354 2HG2 VAL 44 3HG2 VAL 44 -9.387 -6.632 22.860 355 3HG2 VAL 44 2HG2 VAL 44 -9.124 -4.922 22.512 356 HA PRO 45 HA PRO 45 -13.085 -3.324 25.505 357 1HB PRO 45 2HB PRO 45 -15.445 -1.886 24.707 358 2HB PRO 45 1HB PRO 45 -13.956 -1.233 25.394 359 1HG PRO 45 2HG PRO 45 -14.904 -1.026 22.683 360 2HG PRO 45 1HG PRO 45 -13.438 -0.335 23.380 361 1HD PRO 45 2HD PRO 45 -13.632 -2.526 21.530 362 2HD PRO 45 1HD PRO 45 -12.163 -1.871 22.289 363 H ILE 46 HN ILE 46 -15.985 -3.087 25.994 364 HA ILE 46 HA ILE 46 -16.712 -5.823 26.262 365 HB ILE 46 HB ILE 46 -17.583 -3.705 27.425 366 1HG1 ILE 46 2HG1 ILE 46 -19.757 -5.541 26.404 367 2HG1 ILE 46 1HG1 ILE 46 -18.550 -6.070 27.575 368 1HG2 ILE 46 1HG2 ILE 46 -18.142 -2.695 25.091 369 2HG2 ILE 46 3HG2 ILE 46 -19.607 -3.673 25.194 370 3HG2 ILE 46 2HG2 ILE 46 -19.284 -2.436 26.409 371 1HD1 ILE 46 3HD1 ILE 46 -19.320 -3.745 28.730 372 2HD1 ILE 46 2HD1 ILE 46 -20.820 -4.184 27.914 373 3HD1 ILE 46 1HD1 ILE 46 -20.094 -5.291 29.079 374 H LEU 47 HN LEU 47 -17.138 -7.213 24.597 375 HA LEU 47 HA LEU 47 -18.048 -8.049 22.583 376 1HB LEU 47 2HB LEU 47 -19.750 -5.824 23.505 377 2HB LEU 47 1HB LEU 47 -19.897 -6.175 21.784 378 HG LEU 47 HG LEU 47 -21.500 -7.516 23.099 379 1HD1 LEU 47 3HD1 LEU 47 -19.481 -8.544 21.306 380 2HD1 LEU 47 2HD1 LEU 47 -19.962 -9.798 22.450 381 3HD1 LEU 47 1HD1 LEU 47 -21.176 -9.008 21.443 382 1HD2 LEU 47 1HD2 LEU 47 -19.289 -7.732 24.867 383 2HD2 LEU 47 3HD2 LEU 47 -20.904 -8.408 25.078 384 3HD2 LEU 47 2HD2 LEU 47 -19.644 -9.362 24.297 385 H CYS 48 HN CYS 48 -15.640 -6.462 22.436 386 HA CYS 48 HA CYS 48 -14.295 -5.472 20.768 387 1HB CYS 48 2HB CYS 48 -16.598 -6.755 19.425 388 2HB CYS 48 1HB CYS 48 -15.766 -5.535 18.463 389 H SER 49 HN SER 49 -14.059 -3.430 19.665 390 HA SER 49 HA SER 49 -15.978 -1.382 20.566 391 1HB SER 49 2HB SER 49 -13.191 -1.624 19.952 392 2HB SER 49 1HB SER 49 -13.873 -0.357 18.933 393 HG SER 49 HG SER 49 -14.301 0.823 20.639 394 H ASN 50 HN ASN 50 -14.420 -2.156 17.439 395 HA ASN 50 HA ASN 50 -16.409 -0.651 15.924 396 1HB ASN 50 2HB ASN 50 -13.979 -2.332 15.429 397 2HB ASN 50 1HB ASN 50 -15.048 -1.988 14.070 398 1HD2 ASN 50 1HD2 ASN 50 -15.361 0.312 13.486 399 2HD2 ASN 50 2HD2 ASN 50 -14.223 1.478 13.957 400 HA PRO 51 HA PRO 51 -19.200 -4.217 16.086 401 1HB PRO 51 2HB PRO 51 -20.996 -2.675 14.451 402 2HB PRO 51 1HB PRO 51 -21.133 -3.035 16.173 403 1HG PRO 51 2HG PRO 51 -20.496 -0.521 14.948 404 2HG PRO 51 1HG PRO 51 -20.614 -0.887 16.671 405 1HD PRO 51 2HD PRO 51 -18.226 -0.366 15.124 406 2HD PRO 51 1HD PRO 51 -18.354 -0.707 16.864 407 H ASN 52 HN ASN 52 -17.654 -2.622 13.475 408 HA ASN 52 HA ASN 52 -18.392 -4.878 11.644 409 1HB ASN 52 2HB ASN 52 -18.178 -1.898 11.165 410 2HB ASN 52 1HB ASN 52 -18.192 -3.066 9.843 411 1HD2 ASN 52 1HD2 ASN 52 -20.304 -1.129 10.215 412 2HD2 ASN 52 2HD2 ASN 52 -21.724 -1.973 10.607 413 H PHE 53 HN PHE 53 -16.010 -4.590 13.391 414 HA PHE 53 HA PHE 53 -13.781 -3.821 11.632 415 1HB PHE 53 2HB PHE 53 -12.465 -4.200 13.546 416 2HB PHE 53 1HB PHE 53 -14.021 -3.767 14.255 417 HD1 PHE 53 HD1 PHE 53 -15.633 -6.178 13.962 418 HD2 PHE 53 HD2 PHE 53 -11.466 -5.796 14.941 419 HE1 PHE 53 HE1 PHE 53 -15.709 -8.357 15.139 420 HE2 PHE 53 HE2 PHE 53 -11.542 -7.987 16.119 421 HZ PHE 53 HZ PHE 53 -13.665 -9.260 16.216 422 HA PRO 54 HA PRO 54 -12.856 -7.652 9.716 423 1HB PRO 54 2HB PRO 54 -10.379 -8.241 11.075 424 2HB PRO 54 1HB PRO 54 -10.601 -7.577 9.453 425 1HG PRO 54 2HG PRO 54 -9.697 -6.212 11.828 426 2HG PRO 54 1HG PRO 54 -9.864 -5.564 10.198 427 1HD PRO 54 2HD PRO 54 -11.493 -4.971 12.478 428 2HD PRO 54 1HD PRO 54 -11.734 -4.404 10.810 429 H GLU 55 HN GLU 55 -14.692 -8.393 11.145 430 HA GLU 55 HA GLU 55 -14.711 -9.526 13.619 431 1HB GLU 55 2HB GLU 55 -16.564 -9.455 11.979 432 2HB GLU 55 1HB GLU 55 -15.815 -10.789 11.093 433 1HG GLU 55 2HG GLU 55 -15.973 -12.198 13.144 434 2HG GLU 55 1HG GLU 55 -16.803 -10.873 13.961 435 H GLU 56 HN GLU 56 -12.947 -10.799 10.853 436 HA GLU 56 HA GLU 56 -12.446 -13.451 11.695 437 1HB GLU 56 2HB GLU 56 -11.739 -12.233 9.564 438 2HB GLU 56 1HB GLU 56 -10.433 -11.512 10.506 439 1HG GLU 56 2HG GLU 56 -9.505 -13.458 9.458 440 2HG GLU 56 1HG GLU 56 -9.759 -13.885 11.149 441 H LEU 57 HN LEU 57 -11.492 -10.413 13.044 442 HA LEU 57 HA LEU 57 -9.274 -11.464 14.668 443 1HB LEU 57 2HB LEU 57 -10.810 -8.844 14.690 444 2HB LEU 57 1HB LEU 57 -9.292 -9.140 15.532 445 HG LEU 57 HG LEU 57 -9.715 -9.269 12.531 446 1HD1 LEU 57 3HD1 LEU 57 -9.718 -6.978 13.502 447 2HD1 LEU 57 2HD1 LEU 57 -8.157 -7.314 14.251 448 3HD1 LEU 57 1HD1 LEU 57 -8.299 -7.267 12.494 449 1HD2 LEU 57 2HD2 LEU 57 -7.403 -9.909 14.343 450 2HD2 LEU 57 1HD2 LEU 57 -8.001 -10.810 12.951 451 3HD2 LEU 57 3HD2 LEU 57 -7.104 -9.309 12.711 452 H LYS 58 HN LYS 58 -12.472 -12.037 14.825 453 HA LYS 58 HA LYS 58 -13.613 -11.330 17.205 454 1HB LYS 58 2HB LYS 58 -13.819 -13.407 15.320 455 2HB LYS 58 1HB LYS 58 -13.728 -14.213 16.886 456 1HG LYS 58 2HG LYS 58 -15.444 -12.185 17.477 457 2HG LYS 58 1HG LYS 58 -15.847 -12.461 15.782 458 1HD LYS 58 2HD LYS 58 -16.595 -14.621 16.170 459 2HD LYS 58 1HD LYS 58 -15.557 -14.838 17.579 460 1HE LYS 58 2HE LYS 58 -17.512 -12.681 17.950 461 2HE LYS 58 1HE LYS 58 -18.269 -14.262 17.681 462 1HZ LYS 58 3HZ LYS 58 -16.537 -15.139 19.288 463 2HZ LYS 58 2HZ LYS 58 -16.230 -13.521 19.706 464 3HZ LYS 58 1HZ LYS 58 -17.768 -14.193 19.969 465 HA PRO 59 HA PRO 59 -11.057 -14.750 19.570 466 1HB PRO 59 2HB PRO 59 -8.563 -14.939 18.142 467 2HB PRO 59 1HB PRO 59 -9.744 -16.214 18.450 468 1HG PRO 59 2HG PRO 59 -9.195 -14.848 15.967 469 2HG PRO 59 1HG PRO 59 -10.322 -16.175 16.258 470 1HD PRO 59 2HD PRO 59 -10.968 -13.448 15.702 471 2HD PRO 59 1HD PRO 59 -12.100 -14.749 16.129 472 H LEU 60 HN LEU 60 -9.151 -12.282 17.747 473 HA LEU 60 HA LEU 60 -7.377 -11.601 19.860 474 1HB LEU 60 2HB LEU 60 -8.563 -9.962 17.597 475 2HB LEU 60 1HB LEU 60 -7.137 -9.501 18.525 476 HG LEU 60 HG LEU 60 -7.432 -11.538 16.395 477 1HD1 LEU 60 3HD1 LEU 60 -5.385 -9.628 17.461 478 2HD1 LEU 60 2HD1 LEU 60 -4.841 -10.984 16.472 479 3HD1 LEU 60 1HD1 LEU 60 -5.988 -9.817 15.815 480 1HD2 LEU 60 2HD2 LEU 60 -5.813 -12.056 18.905 481 2HD2 LEU 60 1HD2 LEU 60 -7.086 -13.074 18.231 482 3HD2 LEU 60 3HD2 LEU 60 -5.551 -12.902 17.380 483 H CYS 61 HN CYS 61 -10.622 -10.335 19.065 484 HA CYS 61 HA CYS 61 -10.653 -8.235 21.010 485 1HB CYS 61 2HB CYS 61 -12.145 -8.524 19.032 486 2HB CYS 61 1HB CYS 61 -12.908 -9.893 19.839 487 H LYS 62 HN LYS 62 -11.284 -11.696 21.236 488 HA LYS 62 HA LYS 62 -12.466 -11.433 23.936 489 1HB LYS 62 2HB LYS 62 -13.273 -13.027 22.171 490 2HB LYS 62 1HB LYS 62 -11.731 -13.874 22.291 491 1HG LYS 62 2HG LYS 62 -12.171 -14.240 24.725 492 2HG LYS 62 1HG LYS 62 -13.757 -13.497 24.518 493 1HD LYS 62 2HD LYS 62 -14.304 -15.229 22.807 494 2HD LYS 62 1HD LYS 62 -12.748 -15.996 23.124 495 1HE LYS 62 2HE LYS 62 -15.088 -15.694 25.030 496 2HE LYS 62 1HE LYS 62 -14.301 -17.191 24.494 497 1HZ LYS 62 3HZ LYS 62 -12.198 -16.197 25.456 498 2HZ LYS 62 2HZ LYS 62 -13.189 -15.049 26.222 499 3HZ LYS 62 1HZ LYS 62 -13.359 -16.700 26.585 500 H GLU 63 HN GLU 63 -9.378 -11.204 22.876 501 HA GLU 63 HA GLU 63 -8.321 -12.602 25.309 502 1HB GLU 63 2HB GLU 63 -6.390 -13.269 23.931 503 2HB GLU 63 1HB GLU 63 -7.890 -13.854 23.209 504 1HG GLU 63 2HG GLU 63 -7.908 -11.861 21.714 505 2HG GLU 63 1HG GLU 63 -6.358 -11.365 22.394 506 HA PRO 64 HA PRO 64 -6.570 -8.685 26.321 507 1HB PRO 64 2HB PRO 64 -4.299 -9.934 27.569 508 2HB PRO 64 1HB PRO 64 -5.737 -9.268 28.344 509 1HG PRO 64 2HG PRO 64 -5.013 -12.028 28.059 510 2HG PRO 64 1HG PRO 64 -6.461 -11.362 28.816 511 1HD PRO 64 2HD PRO 64 -6.254 -12.758 26.291 512 2HD PRO 64 1HD PRO 64 -7.719 -12.116 27.070 513 H ASN 65 HN ASN 65 -5.096 -10.985 24.282 514 HA ASN 65 HA ASN 65 -2.574 -9.581 23.834 515 1HB ASN 65 2HB ASN 65 -4.081 -11.749 22.338 516 2HB ASN 65 1HB ASN 65 -2.423 -11.264 21.981 517 1HD2 ASN 65 1HD2 ASN 65 -3.015 -13.930 22.838 518 2HD2 ASN 65 2HD2 ASN 65 -2.357 -14.158 24.386 519 H ALA 66 HN ALA 66 -5.820 -9.405 22.528 520 HA ALA 66 HA ALA 66 -5.417 -8.316 19.971 521 1HB ALA 66 1HB ALA 66 -7.447 -8.355 22.065 522 2HB ALA 66 2HB ALA 66 -7.657 -8.395 20.314 523 3HB ALA 66 3HB ALA 66 -7.495 -6.849 21.148 524 H GLN 67 HN GLN 67 -5.140 -6.750 23.146 525 HA GLN 67 HA GLN 67 -4.877 -4.048 22.262 526 1HB GLN 67 2HB GLN 67 -3.708 -5.553 24.627 527 2HB GLN 67 1HB GLN 67 -3.776 -3.795 24.497 528 1HG GLN 67 2HG GLN 67 -6.222 -3.875 24.358 529 2HG GLN 67 1HG GLN 67 -6.187 -5.637 24.405 530 1HE2 GLN 67 1HE2 GLN 67 -7.594 -4.214 26.413 531 2HE2 GLN 67 2HE2 GLN 67 -6.769 -4.375 27.889 532 H GLU 68 HN GLU 68 -2.431 -6.599 22.798 533 HA GLU 68 HA GLU 68 -0.222 -4.880 21.922 534 1HB GLU 68 2HB GLU 68 -0.068 -6.712 23.628 535 2HB GLU 68 1HB GLU 68 -0.405 -7.882 22.350 536 1HG GLU 68 2HG GLU 68 1.601 -7.039 21.116 537 2HG GLU 68 1HG GLU 68 1.962 -5.990 22.487 538 H ILE 69 HN ILE 69 -2.121 -7.581 20.584 539 HA ILE 69 HA ILE 69 -0.685 -7.851 18.115 540 HB ILE 69 HB ILE 69 -3.592 -8.363 18.834 541 1HG1 ILE 69 2HG1 ILE 69 -1.214 -10.245 18.841 542 2HG1 ILE 69 1HG1 ILE 69 -1.888 -9.492 20.286 543 1HG2 ILE 69 1HG2 ILE 69 -1.943 -8.891 16.421 544 2HG2 ILE 69 3HG2 ILE 69 -2.953 -10.227 16.976 545 3HG2 ILE 69 2HG2 ILE 69 -3.688 -8.676 16.569 546 1HD1 ILE 69 2HD1 ILE 69 -4.144 -10.501 19.529 547 2HD1 ILE 69 1HD1 ILE 69 -3.181 -11.505 18.444 548 3HD1 ILE 69 3HD1 ILE 69 -2.943 -11.612 20.188 549 H LEU 70 HN LEU 70 -3.623 -5.995 18.963 550 HA LEU 70 HA LEU 70 -4.292 -4.901 16.481 551 1HB LEU 70 2HB LEU 70 -5.581 -4.568 18.523 552 2HB LEU 70 1HB LEU 70 -4.257 -3.659 19.250 553 HG LEU 70 HG LEU 70 -6.219 -2.324 18.186 554 1HD1 LEU 70 2HD1 LEU 70 -3.680 -1.668 18.747 555 2HD1 LEU 70 1HD1 LEU 70 -3.620 -1.466 16.996 556 3HD1 LEU 70 3HD1 LEU 70 -4.777 -0.539 17.950 557 1HD2 LEU 70 1HD2 LEU 70 -4.653 -3.142 15.718 558 2HD2 LEU 70 3HD2 LEU 70 -6.312 -3.611 16.089 559 3HD2 LEU 70 2HD2 LEU 70 -5.927 -1.921 15.758 560 H GLN 71 HN GLN 71 -2.036 -3.445 18.870 561 HA GLN 71 HA GLN 71 -1.157 -1.211 17.477 562 1HB GLN 71 2HB GLN 71 0.456 -3.244 19.055 563 2HB GLN 71 1HB GLN 71 0.982 -1.597 18.707 564 1HG GLN 71 2HG GLN 71 -0.967 -0.708 19.920 565 2HG GLN 71 1HG GLN 71 -1.524 -2.348 20.247 566 1HE2 GLN 71 1HE2 GLN 71 -1.075 -0.887 22.507 567 2HE2 GLN 71 2HE2 GLN 71 0.386 -1.325 23.253 568 H ARG 72 HN ARG 72 0.294 -4.483 17.216 569 HA ARG 72 HA ARG 72 2.123 -3.905 15.124 570 1HB ARG 72 2HB ARG 72 0.586 -6.426 15.842 571 2HB ARG 72 1HB ARG 72 1.990 -6.389 14.775 572 1HG ARG 72 2HG ARG 72 3.311 -5.358 16.639 573 2HG ARG 72 1HG ARG 72 1.914 -5.566 17.694 574 1HD ARG 72 2HD ARG 72 1.980 -8.035 17.198 575 2HD ARG 72 1HD ARG 72 3.489 -7.764 16.306 576 HE ARG 72 HE ARG 72 3.154 -7.592 19.225 577 1HH1 ARG 72 1HH1 ARG 72 5.521 -8.706 17.614 578 2HH1 ARG 72 2HH1 ARG 72 6.735 -7.522 17.966 579 1HH2 ARG 72 1HH2 ARG 72 4.482 -5.183 19.178 580 2HH2 ARG 72 2HH2 ARG 72 6.147 -5.529 18.850 581 H LEU 73 HN LEU 73 -1.142 -5.379 14.871 582 HA LEU 73 HA LEU 73 -1.435 -5.577 12.120 583 1HB LEU 73 2HB LEU 73 -3.402 -4.544 14.192 584 2HB LEU 73 1HB LEU 73 -3.852 -5.159 12.602 585 HG LEU 73 HG LEU 73 -2.484 -6.695 14.829 586 1HD1 LEU 73 2HD1 LEU 73 -5.226 -6.653 13.605 587 2HD1 LEU 73 1HD1 LEU 73 -4.603 -8.160 14.276 588 3HD1 LEU 73 3HD1 LEU 73 -4.768 -6.737 15.306 589 1HD2 LEU 73 1HD2 LEU 73 -2.991 -7.369 11.927 590 2HD2 LEU 73 3HD2 LEU 73 -1.476 -7.479 12.822 591 3HD2 LEU 73 2HD2 LEU 73 -2.778 -8.622 13.151 592 H GLU 74 HN GLU 74 -2.307 -2.665 14.035 593 HA GLU 74 HA GLU 74 -2.927 -0.916 11.938 594 1HB GLU 74 2HB GLU 74 -1.412 -0.352 14.510 595 2HB GLU 74 1HB GLU 74 -2.319 0.834 13.572 596 1HG GLU 74 2HG GLU 74 -4.345 -0.713 13.880 597 2HG GLU 74 1HG GLU 74 -3.387 -1.542 15.105 598 H GLU 75 HN GLU 75 0.291 -1.313 13.486 599 HA GLU 75 HA GLU 75 1.774 0.410 11.826 600 1HB GLU 75 2HB GLU 75 2.494 -0.712 13.933 601 2HB GLU 75 1HB GLU 75 2.594 -2.240 13.057 602 1HG GLU 75 2HG GLU 75 4.238 -1.170 11.494 603 2HG GLU 75 1HG GLU 75 4.208 0.269 12.513 604 H ILE 76 HN ILE 76 1.412 -3.150 11.435 605 HA ILE 76 HA ILE 76 2.786 -3.344 8.953 606 HB ILE 76 HB ILE 76 0.448 -4.949 10.042 607 1HG1 ILE 76 2HG1 ILE 76 2.184 -4.890 11.697 608 2HG1 ILE 76 1HG1 ILE 76 2.349 -6.434 10.860 609 1HG2 ILE 76 1HG2 ILE 76 2.600 -5.602 8.006 610 2HG2 ILE 76 3HG2 ILE 76 1.487 -6.786 8.691 611 3HG2 ILE 76 2HG2 ILE 76 0.870 -5.465 7.697 612 1HD1 ILE 76 3HD1 ILE 76 3.990 -5.144 9.298 613 2HD1 ILE 76 2HD1 ILE 76 4.047 -3.959 10.604 614 3HD1 ILE 76 1HD1 ILE 76 4.556 -5.621 10.899 615 H ALA 77 HN ALA 77 -0.610 -2.616 9.685 616 HA ALA 77 HA ALA 77 -1.691 -2.736 7.062 617 1HB ALA 77 1HB ALA 77 -2.688 -2.294 9.473 618 2HB ALA 77 2HB ALA 77 -3.503 -1.634 8.055 619 3HB ALA 77 3HB ALA 77 -2.462 -0.601 9.035 620 H GLU 78 HN GLU 78 0.215 -0.241 8.684 621 HA GLU 78 HA GLU 78 -0.177 1.916 6.870 622 1HB GLU 78 2HB GLU 78 2.183 1.047 8.567 623 2HB GLU 78 1HB GLU 78 2.061 2.627 7.796 624 1HG GLU 78 2HG GLU 78 0.002 3.100 9.033 625 2HG GLU 78 1HG GLU 78 0.042 1.494 9.757 626 H ASP 79 HN ASP 79 2.197 -0.757 6.812 627 HA ASP 79 HA ASP 79 2.553 -0.302 3.893 628 1HB ASP 79 2HB ASP 79 5.133 -0.761 5.000 629 2HB ASP 79 1HB ASP 79 4.549 0.705 4.217 630 HA PRO 80 HA PRO 80 2.703 -4.672 3.621 631 1HB PRO 80 2HB PRO 80 5.012 -4.730 1.907 632 2HB PRO 80 1HB PRO 80 3.313 -4.869 1.450 633 1HG PRO 80 2HG PRO 80 5.090 -2.643 1.024 634 2HG PRO 80 1HG PRO 80 3.403 -2.801 0.529 635 1HD PRO 80 2HD PRO 80 4.473 -1.126 2.610 636 2HD PRO 80 1HD PRO 80 2.765 -1.331 2.152 637 H GLY 81 HN GLY 81 6.087 -3.444 3.607 638 1HA GLY 81 1HA GLY 81 6.668 -4.739 6.149 639 2HA GLY 81 2HA GLY 81 7.838 -3.915 5.118 640 H THR 82 HN THR 82 7.763 -6.678 6.469 641 HA THR 82 HA THR 82 9.060 -8.115 4.280 642 HB THR 82 HB THR 82 9.418 -9.786 6.069 643 HG1 THR 82 1HG THR 82 8.473 -9.373 8.100 644 1HG2 THR 82 3HG2 THR 82 10.615 -7.449 5.929 645 2HG2 THR 82 2HG2 THR 82 9.724 -7.122 7.415 646 3HG2 THR 82 1HG2 THR 82 10.857 -8.472 7.346 647 H CYS 83 HN CYS 83 5.874 -7.993 5.664 648 HA CYS 83 HA CYS 83 4.841 -10.557 5.094 649 1HB CYS 83 2HB CYS 83 3.709 -8.692 6.298 650 2HB CYS 83 1HB CYS 83 3.524 -7.839 4.765 651 H GLU 84 HN GLU 84 4.769 -7.676 2.956 652 HA GLU 84 HA GLU 84 3.664 -8.899 0.670 653 1HB GLU 84 2HB GLU 84 4.051 -6.475 1.074 654 2HB GLU 84 1HB GLU 84 5.780 -6.733 0.847 655 1HG GLU 84 2HG GLU 84 5.298 -7.620 -1.443 656 2HG GLU 84 1HG GLU 84 3.599 -7.214 -1.207 657 H ILE 85 HN ILE 85 7.024 -8.949 1.832 658 HA ILE 85 HA ILE 85 7.875 -10.366 -0.642 659 HB ILE 85 HB ILE 85 10.115 -9.932 0.221 660 1HG1 ILE 85 2HG1 ILE 85 8.628 -9.150 2.737 661 2HG1 ILE 85 1HG1 ILE 85 9.835 -10.422 2.559 662 1HG2 ILE 85 1HG2 ILE 85 8.276 -7.987 -0.471 663 2HG2 ILE 85 3HG2 ILE 85 8.934 -7.373 1.045 664 3HG2 ILE 85 2HG2 ILE 85 10.013 -7.728 -0.305 665 1HD1 ILE 85 1HD1 ILE 85 11.287 -8.330 1.682 666 2HD1 ILE 85 3HD1 ILE 85 10.192 -7.472 2.766 667 3HD1 ILE 85 2HD1 ILE 85 11.209 -8.771 3.388 668 H CYS 86 HN CYS 86 6.290 -11.348 1.972 669 HA CYS 86 HA CYS 86 6.111 -13.412 3.106 670 1HB CYS 86 2HB CYS 86 7.102 -13.805 0.435 671 2HB CYS 86 1HB CYS 86 7.849 -14.995 1.501 672 H ALA 87 HN ALA 87 8.600 -11.529 3.447 673 HA ALA 87 HA ALA 87 10.801 -13.252 4.199 674 1HB ALA 87 3HB ALA 87 11.202 -10.938 5.555 675 2HB ALA 87 1HB ALA 87 9.989 -10.398 4.394 676 3HB ALA 87 2HB ALA 87 11.506 -11.095 3.824 677 H TYR 88 HN TYR 88 7.780 -12.701 5.619 678 HA TYR 88 HA TYR 88 8.710 -13.922 8.170 679 1HB TYR 88 2HB TYR 88 8.734 -11.398 8.299 680 2HB TYR 88 1HB TYR 88 6.996 -11.426 8.006 681 HD1 TYR 88 HD1 TYR 88 9.569 -12.995 10.243 682 HD2 TYR 88 HD2 TYR 88 5.552 -11.529 9.837 683 HE1 TYR 88 HE1 TYR 88 9.171 -13.418 12.654 684 HE2 TYR 88 HE2 TYR 88 5.153 -11.953 12.248 685 HH TYR 88 HH TYR 88 6.706 -13.878 14.056 686 H ALA 89 HN ALA 89 6.770 -14.608 9.499 687 HA ALA 89 HA ALA 89 4.837 -16.001 7.827 688 1HB ALA 89 1HB ALA 89 5.961 -16.510 10.175 689 2HB ALA 89 3HB ALA 89 4.555 -15.642 10.791 690 3HB ALA 89 2HB ALA 89 4.337 -17.097 9.820 691 H ALA 90 HN ALA 90 4.952 -12.808 8.585 692 HA ALA 90 HA ALA 90 2.340 -12.208 9.604 693 1HB ALA 90 2HB ALA 90 4.492 -10.782 8.061 694 2HB ALA 90 1HB ALA 90 2.950 -9.978 8.355 695 3HB ALA 90 3HB ALA 90 3.945 -10.501 9.714 696 H CYS 91 HN CYS 91 3.569 -12.701 6.307 697 HA CYS 91 HA CYS 91 0.898 -12.079 5.161 698 1HB CYS 91 2HB CYS 91 3.654 -11.964 4.381 699 2HB CYS 91 1HB CYS 91 2.772 -12.949 3.218 700 H THR 92 HN THR 92 -0.520 -13.734 4.937 701 HA THR 92 HA THR 92 0.532 -16.524 4.794 702 HB THR 92 HB THR 92 -2.356 -15.888 5.131 703 HG1 THR 92 1HG THR 92 -0.326 -14.827 6.670 704 1HG2 THR 92 2HG2 THR 92 -0.334 -17.738 6.405 705 2HG2 THR 92 1HG2 THR 92 -1.995 -17.594 6.981 706 3HG2 THR 92 3HG2 THR 92 -1.677 -18.172 5.345 707 H GLY 93 HN GLY 93 -0.622 -14.096 2.757 708 1HA GLY 93 1HA GLY 93 -1.750 -14.152 0.664 709 2HA GLY 93 2HA GLY 93 -2.120 -15.855 0.940 710 H CYS 94 HN CYS 94 1.084 -14.389 1.159 711 HA CYS 94 HA CYS 94 2.997 -14.658 -0.229 712 1HB CYS 94 2HB CYS 94 1.826 -17.141 0.679 713 2HB CYS 94 1HB CYS 94 2.645 -17.392 -0.863 No H/Q in entry = 713 Start of MODEL 22 1 H1 VAL 1 3H VAL 1 -1.825 -10.336 -0.364 2 H2 VAL 1 2H VAL 1 -0.641 -11.163 -1.259 3 H3 VAL 1 1H VAL 1 -2.132 -11.906 -0.928 4 HA VAL 1 HA VAL 1 -0.918 -12.906 0.705 5 HB VAL 1 HB VAL 1 1.077 -11.666 1.655 6 1HG1 VAL 1 2HG1 VAL 1 0.898 -13.108 -0.586 7 2HG1 VAL 1 1HG1 VAL 1 1.326 -11.564 -1.320 8 3HG1 VAL 1 3HG1 VAL 1 2.398 -12.301 -0.131 9 1HG2 VAL 1 3HG2 VAL 1 0.038 -9.613 -0.302 10 2HG2 VAL 1 2HG2 VAL 1 0.489 -9.386 1.388 11 3HG2 VAL 1 1HG2 VAL 1 1.738 -9.655 0.171 12 H THR 2 HN THR 2 -2.264 -13.016 2.464 13 HA THR 2 HA THR 2 -3.353 -10.554 3.676 14 HB THR 2 HB THR 2 -3.725 -13.486 4.370 15 HG1 THR 2 1HG THR 2 -5.521 -13.337 3.016 16 1HG2 THR 2 3HG2 THR 2 -5.190 -10.944 5.078 17 2HG2 THR 2 2HG2 THR 2 -5.978 -12.520 5.165 18 3HG2 THR 2 1HG2 THR 2 -4.563 -12.185 6.163 19 H VAL 3 HN VAL 3 -3.022 -9.997 5.901 20 HA VAL 3 HA VAL 3 -0.429 -10.934 7.009 21 HB VAL 3 HB VAL 3 -2.354 -8.703 7.743 22 1HG1 VAL 3 3HG1 VAL 3 0.261 -9.628 8.896 23 2HG1 VAL 3 2HG1 VAL 3 -0.130 -7.908 8.910 24 3HG1 VAL 3 1HG1 VAL 3 -1.184 -9.059 9.732 25 1HG2 VAL 3 2HG2 VAL 3 -0.170 -9.000 5.803 26 2HG2 VAL 3 1HG2 VAL 3 -1.432 -7.771 5.893 27 3HG2 VAL 3 3HG2 VAL 3 0.029 -7.608 6.867 28 H GLN 4 HN GLN 4 -0.465 -12.541 8.531 29 HA GLN 4 HA GLN 4 -3.007 -12.993 10.046 30 1HB GLN 4 2HB GLN 4 -0.654 -14.849 9.594 31 2HB GLN 4 1HB GLN 4 -2.260 -15.290 10.172 32 1HG GLN 4 2HG GLN 4 -3.123 -14.306 7.943 33 2HG GLN 4 1HG GLN 4 -1.446 -14.386 7.408 34 1HE2 GLN 4 1HE2 GLN 4 -1.183 -16.875 9.290 35 2HE2 GLN 4 2HE2 GLN 4 -1.841 -18.133 8.361 36 H ASP 5 HN ASP 5 -2.968 -12.940 12.273 37 HA ASP 5 HA ASP 5 -0.352 -12.269 13.579 38 1HB ASP 5 2HB ASP 5 -3.244 -11.633 14.237 39 2HB ASP 5 1HB ASP 5 -1.894 -11.230 15.297 40 H GLY 6 HN GLY 6 -2.072 -14.917 13.028 41 1HA GLY 6 1HA GLY 6 -2.721 -15.988 15.601 42 2HA GLY 6 2HA GLY 6 -1.069 -16.446 15.186 43 H ASN 7 HN ASN 7 -3.963 -17.773 15.206 44 HA ASN 7 HA ASN 7 -3.366 -19.550 12.922 45 1HB ASN 7 2HB ASN 7 -5.467 -19.543 15.112 46 2HB ASN 7 1HB ASN 7 -5.237 -20.855 13.956 47 1HD2 ASN 7 1HD2 ASN 7 -4.891 -21.298 16.759 48 2HD2 ASN 7 2HD2 ASN 7 -3.249 -21.603 17.060 49 H PHE 8 HN PHE 8 -4.795 -16.643 13.047 50 HA PHE 8 HA PHE 8 -6.962 -17.394 11.108 51 1HB PHE 8 2HB PHE 8 -6.771 -15.102 13.091 52 2HB PHE 8 1HB PHE 8 -8.123 -15.382 11.993 53 HD1 PHE 8 HD1 PHE 8 -9.611 -17.325 12.289 54 HD2 PHE 8 HD2 PHE 8 -6.413 -16.505 15.038 55 HE1 PHE 8 HE1 PHE 8 -10.609 -18.903 13.922 56 HE2 PHE 8 HE2 PHE 8 -7.412 -18.083 16.671 57 HZ PHE 8 HZ PHE 8 -9.510 -19.282 16.113 58 H SER 9 HN SER 9 -7.310 -15.791 9.376 59 HA SER 9 HA SER 9 -4.783 -14.362 8.667 60 1HB SER 9 2HB SER 9 -5.738 -16.170 7.199 61 2HB SER 9 1HB SER 9 -7.161 -15.157 6.959 62 HG SER 9 HG SER 9 -4.485 -14.623 6.222 63 H PHE 10 HN PHE 10 -4.818 -12.162 8.866 64 HA PHE 10 HA PHE 10 -7.476 -10.774 8.751 65 1HB PHE 10 2HB PHE 10 -4.934 -10.061 10.251 66 2HB PHE 10 1HB PHE 10 -6.465 -9.189 10.344 67 HD1 PHE 10 HD1 PHE 10 -8.149 -11.838 10.129 68 HD2 PHE 10 HD2 PHE 10 -4.912 -10.569 12.652 69 HE1 PHE 10 HE1 PHE 10 -8.921 -13.391 11.902 70 HE2 PHE 10 HE2 PHE 10 -5.684 -12.122 14.424 71 HZ PHE 10 HZ PHE 10 -7.688 -13.532 14.049 72 H SER 11 HN SER 11 -7.667 -9.253 7.144 73 HA SER 11 HA SER 11 -5.439 -8.735 5.326 74 1HB SER 11 2HB SER 11 -8.245 -7.597 5.571 75 2HB SER 11 1HB SER 11 -7.184 -7.380 4.179 76 HG SER 11 HG SER 11 -7.586 -9.340 3.553 77 H LEU 12 HN LEU 12 -5.045 -6.315 4.716 78 HA LEU 12 HA LEU 12 -4.466 -4.845 7.235 79 1HB LEU 12 2HB LEU 12 -3.586 -4.442 4.358 80 2HB LEU 12 1HB LEU 12 -2.938 -3.585 5.755 81 HG LEU 12 HG LEU 12 -2.780 -6.567 5.221 82 1HD1 LEU 12 3HD1 LEU 12 -0.962 -4.255 4.890 83 2HD1 LEU 12 2HD1 LEU 12 -0.244 -5.664 5.672 84 3HD1 LEU 12 1HD1 LEU 12 -0.960 -5.816 4.067 85 1HD2 LEU 12 2HD2 LEU 12 -2.635 -5.022 7.697 86 2HD2 LEU 12 1HD2 LEU 12 -2.709 -6.771 7.472 87 3HD2 LEU 12 3HD2 LEU 12 -1.157 -5.937 7.396 88 H GLU 13 HN GLU 13 -6.863 -4.882 4.860 89 HA GLU 13 HA GLU 13 -7.295 -2.025 4.540 90 1HB GLU 13 2HB GLU 13 -9.107 -4.432 4.163 91 2HB GLU 13 1HB GLU 13 -9.424 -2.814 3.538 92 1HG GLU 13 2HG GLU 13 -7.325 -2.925 2.226 93 2HG GLU 13 1HG GLU 13 -7.046 -4.560 2.828 94 H SER 14 HN SER 14 -9.575 -4.349 5.995 95 HA SER 14 HA SER 14 -11.184 -2.688 7.463 96 1HB SER 14 2HB SER 14 -9.976 -5.211 8.614 97 2HB SER 14 1HB SER 14 -11.613 -4.596 8.842 98 HG SER 14 HG SER 14 -10.488 -5.942 6.686 99 H VAL 15 HN VAL 15 -8.081 -4.005 8.720 100 HA VAL 15 HA VAL 15 -8.162 -2.526 11.170 101 HB VAL 15 HB VAL 15 -5.738 -3.125 11.215 102 1HG1 VAL 15 1HG1 VAL 15 -7.995 -4.770 11.236 103 2HG1 VAL 15 3HG1 VAL 15 -6.849 -5.624 10.199 104 3HG1 VAL 15 2HG1 VAL 15 -6.395 -5.191 11.847 105 1HG2 VAL 15 1HG2 VAL 15 -6.327 -4.076 8.398 106 2HG2 VAL 15 3HG2 VAL 15 -5.183 -2.820 8.867 107 3HG2 VAL 15 2HG2 VAL 15 -4.880 -4.499 9.312 108 H LYS 16 HN LYS 16 -6.558 -1.824 8.039 109 HA LYS 16 HA LYS 16 -5.323 0.626 8.747 110 1HB LYS 16 2HB LYS 16 -4.953 -0.511 6.619 111 2HB LYS 16 1HB LYS 16 -6.652 -0.323 6.184 112 1HG LYS 16 2HG LYS 16 -6.328 2.174 6.308 113 2HG LYS 16 1HG LYS 16 -4.602 1.885 6.526 114 1HD LYS 16 2HD LYS 16 -4.455 0.784 4.369 115 2HD LYS 16 1HD LYS 16 -6.208 0.846 4.172 116 1HE LYS 16 2HE LYS 16 -5.352 3.511 4.699 117 2HE LYS 16 1HE LYS 16 -4.270 2.850 3.458 118 1HZ LYS 16 3HZ LYS 16 -7.204 2.434 3.375 119 2HZ LYS 16 2HZ LYS 16 -6.478 3.794 2.661 120 3HZ LYS 16 1HZ LYS 16 -6.081 2.234 2.120 121 H LYS 17 HN LYS 17 -8.532 0.173 7.201 122 HA LYS 17 HA LYS 17 -9.339 2.929 7.798 123 1HB LYS 17 2HB LYS 17 -10.829 0.489 6.762 124 2HB LYS 17 1HB LYS 17 -11.442 2.142 6.725 125 1HG LYS 17 2HG LYS 17 -9.488 2.802 5.328 126 2HG LYS 17 1HG LYS 17 -8.959 1.120 5.313 127 1HD LYS 17 2HD LYS 17 -11.137 0.478 4.286 128 2HD LYS 17 1HD LYS 17 -11.587 2.182 4.229 129 1HE LYS 17 2HE LYS 17 -9.089 1.067 2.906 130 2HE LYS 17 1HE LYS 17 -10.623 1.333 2.057 131 1HZ LYS 17 1HZ LYS 17 -10.517 3.646 3.115 132 2HZ LYS 17 3HZ LYS 17 -8.875 3.319 3.387 133 3HZ LYS 17 2HZ LYS 17 -9.484 3.342 1.801 134 H LEU 18 HN LEU 18 -8.883 0.424 9.800 135 HA LEU 18 HA LEU 18 -11.254 -0.097 11.218 136 1HB LEU 18 2HB LEU 18 -9.037 -1.179 11.461 137 2HB LEU 18 1HB LEU 18 -8.409 0.288 12.207 138 HG LEU 18 HG LEU 18 -9.832 0.038 14.112 139 1HD1 LEU 18 1HD1 LEU 18 -11.290 -1.846 12.297 140 2HD1 LEU 18 3HD1 LEU 18 -11.366 -2.129 14.035 141 3HD1 LEU 18 2HD1 LEU 18 -11.935 -0.600 13.366 142 1HD2 LEU 18 3HD2 LEU 18 -7.829 -1.614 13.729 143 2HD2 LEU 18 2HD2 LEU 18 -8.956 -1.931 15.048 144 3HD2 LEU 18 1HD2 LEU 18 -9.097 -2.828 13.537 145 H LYS 19 HN LYS 19 -9.073 2.709 11.396 146 HA LYS 19 HA LYS 19 -10.119 3.903 13.769 147 1HB LYS 19 2HB LYS 19 -8.047 4.567 12.590 148 2HB LYS 19 1HB LYS 19 -9.008 5.164 11.238 149 1HG LYS 19 2HG LYS 19 -8.525 7.087 12.564 150 2HG LYS 19 1HG LYS 19 -10.194 6.666 12.946 151 1HD LYS 19 2HD LYS 19 -9.443 5.471 14.963 152 2HD LYS 19 1HD LYS 19 -7.766 5.853 14.575 153 1HE LYS 19 2HE LYS 19 -9.804 8.065 14.846 154 2HE LYS 19 1HE LYS 19 -8.992 7.400 16.276 155 1HZ LYS 19 2HZ LYS 19 -6.916 7.620 14.692 156 2HZ LYS 19 1HZ LYS 19 -7.858 8.848 13.992 157 3HZ LYS 19 3HZ LYS 19 -7.441 8.933 15.633 158 H ASP 20 HN ASP 20 -11.135 4.192 10.361 159 HA ASP 20 HA ASP 20 -13.437 5.894 11.163 160 1HB ASP 20 2HB ASP 20 -11.969 6.417 9.202 161 2HB ASP 20 1HB ASP 20 -12.487 4.907 8.452 162 H LEU 21 HN LEU 21 -14.900 4.434 12.156 163 HA LEU 21 HA LEU 21 -15.477 1.794 11.136 164 1HB LEU 21 2HB LEU 21 -15.812 2.839 13.473 165 2HB LEU 21 1HB LEU 21 -17.289 3.541 12.811 166 HG LEU 21 HG LEU 21 -17.840 1.128 12.038 167 1HD1 LEU 21 1HD1 LEU 21 -15.319 0.755 13.413 168 2HD1 LEU 21 3HD1 LEU 21 -16.589 -0.194 14.188 169 3HD1 LEU 21 2HD1 LEU 21 -16.250 -0.408 12.470 170 1HD2 LEU 21 2HD2 LEU 21 -17.871 2.142 14.875 171 2HD2 LEU 21 1HD2 LEU 21 -19.208 2.014 13.733 172 3HD2 LEU 21 3HD2 LEU 21 -18.548 0.562 14.483 173 H GLN 22 HN GLN 22 -16.958 4.990 10.659 174 HA GLN 22 HA GLN 22 -19.351 4.251 9.357 175 1HB GLN 22 2HB GLN 22 -17.443 6.562 8.877 176 2HB GLN 22 1HB GLN 22 -19.115 6.513 8.320 177 1HG GLN 22 2HG GLN 22 -19.906 6.319 10.631 178 2HG GLN 22 1HG GLN 22 -18.243 6.282 11.216 179 1HE2 GLN 22 1HE2 GLN 22 -19.922 8.321 12.161 180 2HE2 GLN 22 2HE2 GLN 22 -19.458 9.806 11.483 181 H GLU 23 HN GLU 23 -19.365 5.180 6.791 182 HA GLU 23 HA GLU 23 -18.894 4.534 4.564 183 1HB GLU 23 2HB GLU 23 -16.192 3.986 5.840 184 2HB GLU 23 1HB GLU 23 -16.488 4.210 4.118 185 1HG GLU 23 2HG GLU 23 -17.181 6.294 6.203 186 2HG GLU 23 1HG GLU 23 -15.649 6.274 5.328 187 HA PRO 24 HA PRO 24 -19.540 0.214 4.191 188 1HB PRO 24 2HB PRO 24 -17.690 -0.180 2.020 189 2HB PRO 24 1HB PRO 24 -19.445 -0.013 1.939 190 1HG PRO 24 2HG PRO 24 -17.438 1.897 1.145 191 2HG PRO 24 1HG PRO 24 -19.193 2.043 1.018 192 1HD PRO 24 2HD PRO 24 -17.449 3.446 2.817 193 2HD PRO 24 1HD PRO 24 -19.224 3.530 2.749 194 H GLN 25 HN GLN 25 -18.481 -1.865 4.592 195 HA GLN 25 HA GLN 25 -16.210 -1.724 6.352 196 1HB GLN 25 2HB GLN 25 -17.599 -4.008 4.919 197 2HB GLN 25 1HB GLN 25 -16.434 -4.222 6.225 198 1HG GLN 25 2HG GLN 25 -17.869 -2.942 7.746 199 2HG GLN 25 1HG GLN 25 -19.016 -2.643 6.441 200 1HE2 GLN 25 1HE2 GLN 25 -19.815 -4.026 8.821 201 2HE2 GLN 25 2HE2 GLN 25 -20.159 -5.638 8.414 202 H GLU 26 HN GLU 26 -16.560 -2.434 2.913 203 HA GLU 26 HA GLU 26 -13.572 -2.610 2.726 204 1HB GLU 26 2HB GLU 26 -15.759 -4.397 1.763 205 2HB GLU 26 1HB GLU 26 -14.366 -4.193 0.702 206 1HG GLU 26 2HG GLU 26 -13.412 -5.822 1.967 207 2HG GLU 26 1HG GLU 26 -13.172 -4.544 3.158 208 HA PRO 27 HA PRO 27 -15.493 0.689 -0.024 209 1HB PRO 27 2HB PRO 27 -13.342 2.384 0.857 210 2HB PRO 27 1HB PRO 27 -15.067 2.559 1.186 211 1HG PRO 27 2HG PRO 27 -13.003 1.786 3.017 212 2HG PRO 27 1HG PRO 27 -14.733 1.926 3.336 213 1HD PRO 27 2HD PRO 27 -13.147 -0.488 3.105 214 2HD PRO 27 1HD PRO 27 -14.879 -0.344 3.485 215 H ARG 28 HN ARG 28 -14.435 1.569 -1.972 216 HA ARG 28 HA ARG 28 -12.648 -0.129 -3.311 217 1HB ARG 28 2HB ARG 28 -13.084 2.866 -3.566 218 2HB ARG 28 1HB ARG 28 -12.330 1.855 -4.798 219 1HG ARG 28 2HG ARG 28 -15.115 1.376 -3.702 220 2HG ARG 28 1HG ARG 28 -14.785 2.277 -5.182 221 1HD ARG 28 2HD ARG 28 -13.794 -0.558 -4.732 222 2HD ARG 28 1HD ARG 28 -15.319 -0.180 -5.556 223 HE ARG 28 HE ARG 28 -14.015 1.036 -7.258 224 1HH1 ARG 28 1HH1 ARG 28 -12.786 -1.793 -6.865 225 2HH1 ARG 28 2HH1 ARG 28 -11.100 -1.404 -6.943 226 1HH2 ARG 28 1HH2 ARG 28 -11.597 2.002 -6.521 227 2HH2 ARG 28 2HH2 ARG 28 -10.427 0.746 -6.748 228 H VAL 29 HN VAL 29 -10.412 -0.328 -3.347 229 HA VAL 29 HA VAL 29 -8.826 1.641 -1.729 230 HB VAL 29 HB VAL 29 -9.284 -0.532 -0.577 231 1HG1 VAL 29 3HG1 VAL 29 -7.873 -1.603 -3.032 232 2HG1 VAL 29 2HG1 VAL 29 -8.028 -2.532 -1.540 233 3HG1 VAL 29 1HG1 VAL 29 -9.470 -2.042 -2.428 234 1HG2 VAL 29 1HG2 VAL 29 -6.479 0.202 -1.411 235 2HG2 VAL 29 3HG2 VAL 29 -7.281 0.498 0.132 236 3HG2 VAL 29 2HG2 VAL 29 -6.773 -1.136 -0.300 237 H GLY 30 HN GLY 30 -6.748 2.117 -2.570 238 1HA GLY 30 1HA GLY 30 -5.336 2.570 -4.419 239 2HA GLY 30 2HA GLY 30 -6.404 1.593 -5.428 240 H LYS 31 HN LYS 31 -3.811 1.150 -5.894 241 HA LYS 31 HA LYS 31 -3.420 -1.628 -5.308 242 1HB LYS 31 2HB LYS 31 -1.561 0.571 -6.268 243 2HB LYS 31 1HB LYS 31 -1.175 -1.148 -6.331 244 1HG LYS 31 2HG LYS 31 -3.215 -1.518 -7.717 245 2HG LYS 31 1HG LYS 31 -3.497 0.224 -7.717 246 1HD LYS 31 2HD LYS 31 -1.233 0.540 -8.736 247 2HD LYS 31 1HD LYS 31 -1.074 -1.214 -8.840 248 1HE LYS 31 2HE LYS 31 -3.387 -1.073 -10.097 249 2HE LYS 31 1HE LYS 31 -2.907 0.612 -10.377 250 1HZ LYS 31 1HZ LYS 31 -0.886 -1.476 -10.748 251 2HZ LYS 31 3HZ LYS 31 -2.080 -1.332 -11.943 252 3HZ LYS 31 2HZ LYS 31 -1.084 -0.006 -11.575 253 H LEU 32 HN LEU 32 -2.351 1.319 -3.700 254 HA LEU 32 HA LEU 32 -0.667 -0.291 -1.827 255 1HB LEU 32 2HB LEU 32 -0.903 2.703 -2.266 256 2HB LEU 32 1HB LEU 32 0.321 1.889 -1.292 257 HG LEU 32 HG LEU 32 -0.081 1.612 -4.286 258 1HD1 LEU 32 1HD1 LEU 32 1.889 3.030 -2.517 259 2HD1 LEU 32 3HD1 LEU 32 2.415 2.425 -4.087 260 3HD1 LEU 32 2HD1 LEU 32 1.105 3.601 -3.990 261 1HD2 LEU 32 1HD2 LEU 32 1.622 0.119 -2.298 262 2HD2 LEU 32 3HD2 LEU 32 0.624 -0.526 -3.601 263 3HD2 LEU 32 2HD2 LEU 32 2.144 0.290 -3.974 264 H ARG 33 HN ARG 33 -1.191 -0.379 0.354 265 HA ARG 33 HA ARG 33 -3.583 1.180 1.276 266 1HB ARG 33 2HB ARG 33 -4.251 -0.897 2.483 267 2HB ARG 33 1HB ARG 33 -4.173 -1.153 0.741 268 1HG ARG 33 2HG ARG 33 -1.758 -1.944 1.131 269 2HG ARG 33 1HG ARG 33 -2.176 -2.007 2.843 270 1HD ARG 33 2HD ARG 33 -4.109 -3.511 2.255 271 2HD ARG 33 1HD ARG 33 -3.506 -3.546 0.586 272 HE ARG 33 HE ARG 33 -2.016 -4.579 2.966 273 1HH1 ARG 33 1HH1 ARG 33 -1.353 -3.500 -0.112 274 2HH1 ARG 33 2HH1 ARG 33 -0.658 -4.979 -0.687 275 1HH2 ARG 33 1HH2 ARG 33 -1.602 -6.813 2.100 276 2HH2 ARG 33 2HH2 ARG 33 -0.799 -6.855 0.566 277 H ASN 34 HN ASN 34 -2.569 2.622 2.687 278 HA ASN 34 HA ASN 34 -0.910 1.396 4.854 279 1HB ASN 34 2HB ASN 34 0.724 3.149 4.574 280 2HB ASN 34 1HB ASN 34 0.415 2.470 2.976 281 1HD2 ASN 34 1HD2 ASN 34 1.415 5.113 3.195 282 2HD2 ASN 34 2HD2 ASN 34 0.203 6.206 2.728 283 H PHE 35 HN PHE 35 -0.689 2.944 6.737 284 HA PHE 35 HA PHE 35 -3.230 4.487 7.106 285 1HB PHE 35 2HB PHE 35 -2.507 2.341 8.445 286 2HB PHE 35 1HB PHE 35 -1.445 3.458 9.301 287 HD1 PHE 35 HD1 PHE 35 -4.810 4.197 7.880 288 HD2 PHE 35 HD2 PHE 35 -2.483 3.574 11.435 289 HE1 PHE 35 HE1 PHE 35 -6.722 4.954 9.263 290 HE2 PHE 35 HE2 PHE 35 -4.395 4.331 12.819 291 HZ PHE 35 HZ PHE 35 -6.515 5.022 11.733 292 H ALA 36 HN ALA 36 -3.003 6.676 7.449 293 HA ALA 36 HA ALA 36 -0.468 7.993 7.246 294 1HB ALA 36 1HB ALA 36 -2.398 9.659 8.519 295 2HB ALA 36 2HB ALA 36 -3.269 8.599 7.411 296 3HB ALA 36 3HB ALA 36 -1.964 9.622 6.811 297 HA PRO 37 HA PRO 37 -0.957 8.816 12.005 298 1HB PRO 37 2HB PRO 37 -2.715 6.782 13.032 299 2HB PRO 37 1HB PRO 37 -2.951 8.532 13.041 300 1HG PRO 37 2HG PRO 37 -4.326 6.586 11.450 301 2HG PRO 37 1HG PRO 37 -4.535 8.338 11.434 302 1HD PRO 37 2HD PRO 37 -3.282 6.669 9.427 303 2HD PRO 37 1HD PRO 37 -3.545 8.428 9.385 304 H ILE 38 HN ILE 38 -1.103 6.643 13.957 305 HA ILE 38 HA ILE 38 0.712 4.542 12.892 306 HB ILE 38 HB ILE 38 1.368 6.719 14.876 307 1HG1 ILE 38 2HG1 ILE 38 3.573 5.911 13.301 308 2HG1 ILE 38 1HG1 ILE 38 2.180 5.935 12.220 309 1HG2 ILE 38 2HG2 ILE 38 1.777 4.220 15.700 310 2HG2 ILE 38 1HG2 ILE 38 3.166 4.340 14.622 311 3HG2 ILE 38 3HG2 ILE 38 2.990 5.471 15.961 312 1HD1 ILE 38 3HD1 ILE 38 1.949 8.236 13.847 313 2HD1 ILE 38 2HD1 ILE 38 3.638 8.161 13.343 314 3HD1 ILE 38 1HD1 ILE 38 2.357 8.179 12.132 315 HA PRO 39 HA PRO 39 -1.525 1.964 15.671 316 1HB PRO 39 2HB PRO 39 0.834 0.527 16.482 317 2HB PRO 39 1HB PRO 39 -0.397 0.029 15.319 318 1HG PRO 39 2HG PRO 39 2.300 0.920 14.799 319 2HG PRO 39 1HG PRO 39 1.095 0.350 13.642 320 1HD PRO 39 2HD PRO 39 2.039 3.031 13.975 321 2HD PRO 39 1HD PRO 39 0.728 2.479 12.909 322 H GLY 40 HN GLY 40 -1.663 1.463 18.015 323 1HA GLY 40 1HA GLY 40 -0.107 3.423 19.653 324 2HA GLY 40 2HA GLY 40 -0.392 1.779 20.223 325 H GLU 41 HN GLU 41 -3.157 2.015 18.836 326 HA GLU 41 HA GLU 41 -4.480 3.848 20.791 327 1HB GLU 41 2HB GLU 41 -5.632 2.431 18.373 328 2HB GLU 41 1HB GLU 41 -6.300 3.831 19.211 329 1HG GLU 41 2HG GLU 41 -4.129 5.045 18.597 330 2HG GLU 41 1HG GLU 41 -3.808 3.699 17.503 331 HA PRO 42 HA PRO 42 -5.390 0.074 23.060 332 1HB PRO 42 2HB PRO 42 -7.171 1.639 24.691 333 2HB PRO 42 1HB PRO 42 -5.562 1.040 25.102 334 1HG PRO 42 2HG PRO 42 -6.352 3.746 24.530 335 2HG PRO 42 1HG PRO 42 -4.748 3.151 24.963 336 1HD PRO 42 2HD PRO 42 -5.640 4.099 22.393 337 2HD PRO 42 1HD PRO 42 -4.034 3.463 22.820 338 H VAL 43 HN VAL 43 -6.709 -1.069 21.585 339 HA VAL 43 HA VAL 43 -9.619 -0.351 21.617 340 HB VAL 43 HB VAL 43 -7.889 -1.279 19.299 341 1HG1 VAL 43 1HG1 VAL 43 -10.845 -0.616 19.462 342 2HG1 VAL 43 3HG1 VAL 43 -9.962 -0.891 17.961 343 3HG1 VAL 43 2HG1 VAL 43 -10.146 -2.201 19.128 344 1HG2 VAL 43 2HG2 VAL 43 -8.666 1.341 20.344 345 2HG2 VAL 43 1HG2 VAL 43 -7.447 0.934 19.135 346 3HG2 VAL 43 3HG2 VAL 43 -9.134 1.124 18.657 347 H VAL 44 HN VAL 44 -10.932 -2.327 20.816 348 HA VAL 44 HA VAL 44 -11.441 -4.639 20.873 349 HB VAL 44 HB VAL 44 -8.758 -4.477 20.293 350 1HG1 VAL 44 3HG1 VAL 44 -8.523 -4.911 22.893 351 2HG1 VAL 44 2HG1 VAL 44 -8.857 -6.577 22.426 352 3HG1 VAL 44 1HG1 VAL 44 -7.462 -5.735 21.751 353 1HG2 VAL 44 1HG2 VAL 44 -10.829 -6.162 19.766 354 2HG2 VAL 44 3HG2 VAL 44 -9.171 -6.454 19.243 355 3HG2 VAL 44 2HG2 VAL 44 -9.780 -7.220 20.711 356 HA PRO 45 HA PRO 45 -10.861 -3.933 25.631 357 1HB PRO 45 2HB PRO 45 -13.551 -2.924 25.749 358 2HB PRO 45 1HB PRO 45 -12.056 -2.079 26.158 359 1HG PRO 45 2HG PRO 45 -13.754 -1.684 23.863 360 2HG PRO 45 1HG PRO 45 -12.289 -0.802 24.301 361 1HD PRO 45 2HD PRO 45 -12.622 -2.683 22.153 362 2HD PRO 45 1HD PRO 45 -11.128 -1.854 22.651 363 H ILE 46 HN ILE 46 -12.378 -5.096 27.234 364 HA ILE 46 HA ILE 46 -13.025 -7.692 26.514 365 HB ILE 46 HB ILE 46 -14.437 -5.826 28.452 366 1HG1 ILE 46 2HG1 ILE 46 -12.183 -7.817 28.855 367 2HG1 ILE 46 1HG1 ILE 46 -11.982 -6.067 28.773 368 1HG2 ILE 46 1HG2 ILE 46 -15.681 -7.961 27.863 369 2HG2 ILE 46 3HG2 ILE 46 -14.310 -8.851 28.525 370 3HG2 ILE 46 2HG2 ILE 46 -15.260 -7.792 29.567 371 1HD1 ILE 46 2HD1 ILE 46 -13.522 -5.834 30.720 372 2HD1 ILE 46 1HD1 ILE 46 -13.616 -7.592 30.827 373 3HD1 ILE 46 3HD1 ILE 46 -12.081 -6.772 31.116 374 H LEU 47 HN LEU 47 -15.121 -4.822 26.247 375 HA LEU 47 HA LEU 47 -17.225 -6.435 24.896 376 1HB LEU 47 2HB LEU 47 -17.129 -3.490 25.632 377 2HB LEU 47 1HB LEU 47 -18.565 -4.433 25.235 378 HG LEU 47 HG LEU 47 -16.751 -4.901 27.622 379 1HD1 LEU 47 2HD1 LEU 47 -19.147 -3.260 27.167 380 2HD1 LEU 47 1HD1 LEU 47 -19.308 -4.372 28.526 381 3HD1 LEU 47 3HD1 LEU 47 -17.984 -3.207 28.493 382 1HD2 LEU 47 1HD2 LEU 47 -19.233 -6.294 26.593 383 2HD2 LEU 47 3HD2 LEU 47 -17.658 -7.007 26.944 384 3HD2 LEU 47 2HD2 LEU 47 -18.686 -6.446 28.264 385 H CYS 48 HN CYS 48 -14.528 -5.742 23.686 386 HA CYS 48 HA CYS 48 -13.687 -5.002 21.605 387 1HB CYS 48 2HB CYS 48 -16.400 -6.030 21.328 388 2HB CYS 48 1HB CYS 48 -16.028 -4.847 20.074 389 H SER 49 HN SER 49 -13.737 -3.127 20.084 390 HA SER 49 HA SER 49 -14.980 -0.735 21.385 391 1HB SER 49 2HB SER 49 -12.593 -0.619 21.289 392 2HB SER 49 1HB SER 49 -12.566 -1.207 19.626 393 HG SER 49 HG SER 49 -13.199 0.707 18.907 394 H ASN 50 HN ASN 50 -13.885 -1.443 18.079 395 HA ASN 50 HA ASN 50 -16.101 0.068 16.913 396 1HB ASN 50 2HB ASN 50 -13.752 -1.548 15.935 397 2HB ASN 50 1HB ASN 50 -14.959 -0.950 14.799 398 1HD2 ASN 50 1HD2 ASN 50 -13.454 0.600 13.840 399 2HD2 ASN 50 2HD2 ASN 50 -12.954 1.985 14.685 400 HA PRO 51 HA PRO 51 -18.698 -3.629 17.118 401 1HB PRO 51 2HB PRO 51 -20.762 -2.057 15.875 402 2HB PRO 51 1HB PRO 51 -20.648 -2.560 17.563 403 1HG PRO 51 2HG PRO 51 -20.313 0.075 16.503 404 2HG PRO 51 1HG PRO 51 -20.124 -0.442 18.180 405 1HD PRO 51 2HD PRO 51 -18.053 0.313 16.283 406 2HD PRO 51 1HD PRO 51 -17.879 -0.092 18.006 407 H ASN 52 HN ASN 52 -17.521 -1.790 14.505 408 HA ASN 52 HA ASN 52 -18.502 -3.845 12.553 409 1HB ASN 52 2HB ASN 52 -18.081 -0.855 12.279 410 2HB ASN 52 1HB ASN 52 -18.410 -1.921 10.912 411 1HD2 ASN 52 1HD2 ASN 52 -20.239 0.169 11.659 412 2HD2 ASN 52 2HD2 ASN 52 -21.666 -0.553 12.229 413 H PHE 53 HN PHE 53 -15.990 -3.783 14.148 414 HA PHE 53 HA PHE 53 -13.839 -3.020 12.300 415 1HB PHE 53 2HB PHE 53 -12.444 -3.609 14.110 416 2HB PHE 53 1HB PHE 53 -13.929 -3.127 14.927 417 HD1 PHE 53 HD1 PHE 53 -15.713 -5.399 14.569 418 HD2 PHE 53 HD2 PHE 53 -11.486 -5.360 15.342 419 HE1 PHE 53 HE1 PHE 53 -15.881 -7.644 15.602 420 HE2 PHE 53 HE2 PHE 53 -11.657 -7.613 16.378 421 HZ PHE 53 HZ PHE 53 -13.855 -8.750 16.506 422 HA PRO 54 HA PRO 54 -13.195 -6.795 10.146 423 1HB PRO 54 2HB PRO 54 -10.736 -7.645 11.388 424 2HB PRO 54 1HB PRO 54 -10.948 -6.857 9.823 425 1HG PRO 54 2HG PRO 54 -9.876 -5.727 12.243 426 2HG PRO 54 1HG PRO 54 -10.064 -4.950 10.672 427 1HD PRO 54 2HD PRO 54 -11.571 -4.450 13.066 428 2HD PRO 54 1HD PRO 54 -11.806 -3.708 11.467 429 H GLU 55 HN GLU 55 -15.048 -7.505 11.591 430 HA GLU 55 HA GLU 55 -15.051 -8.816 13.983 431 1HB GLU 55 2HB GLU 55 -16.960 -8.488 12.437 432 2HB GLU 55 1HB GLU 55 -16.345 -9.799 11.423 433 1HG GLU 55 2HG GLU 55 -16.523 -11.346 13.368 434 2HG GLU 55 1HG GLU 55 -17.220 -10.034 14.318 435 H GLU 56 HN GLU 56 -13.530 -9.989 11.034 436 HA GLU 56 HA GLU 56 -13.169 -12.723 11.635 437 1HB GLU 56 2HB GLU 56 -11.263 -10.691 10.414 438 2HB GLU 56 1HB GLU 56 -11.098 -12.441 10.260 439 1HG GLU 56 2HG GLU 56 -13.347 -12.528 9.192 440 2HG GLU 56 1HG GLU 56 -13.433 -10.768 9.281 441 H LEU 57 HN LEU 57 -11.994 -9.908 13.228 442 HA LEU 57 HA LEU 57 -9.784 -11.282 14.633 443 1HB LEU 57 2HB LEU 57 -11.012 -8.517 14.920 444 2HB LEU 57 1HB LEU 57 -9.486 -9.040 15.628 445 HG LEU 57 HG LEU 57 -10.108 -8.918 12.661 446 1HD1 LEU 57 1HD1 LEU 57 -9.794 -6.715 13.857 447 2HD1 LEU 57 3HD1 LEU 57 -8.177 -7.259 14.307 448 3HD1 LEU 57 2HD1 LEU 57 -8.592 -7.037 12.607 449 1HD2 LEU 57 3HD2 LEU 57 -7.827 -9.990 14.275 450 2HD2 LEU 57 2HD2 LEU 57 -8.519 -10.600 12.773 451 3HD2 LEU 57 1HD2 LEU 57 -7.462 -9.189 12.748 452 H LYS 58 HN LYS 58 -12.996 -11.578 14.898 453 HA LYS 58 HA LYS 58 -13.992 -10.928 17.357 454 1HB LYS 58 2HB LYS 58 -14.223 -13.129 15.450 455 2HB LYS 58 1HB LYS 58 -14.600 -13.640 17.096 456 1HG LYS 58 2HG LYS 58 -15.762 -11.036 16.454 457 2HG LYS 58 1HG LYS 58 -16.328 -12.305 15.367 458 1HD LYS 58 2HD LYS 58 -16.380 -13.522 17.867 459 2HD LYS 58 1HD LYS 58 -16.930 -11.879 18.198 460 1HE LYS 58 2HE LYS 58 -18.931 -13.002 17.610 461 2HE LYS 58 1HE LYS 58 -18.449 -12.243 16.081 462 1HZ LYS 58 2HZ LYS 58 -17.388 -14.894 16.820 463 2HZ LYS 58 1HZ LYS 58 -18.936 -14.776 16.130 464 3HZ LYS 58 3HZ LYS 58 -17.583 -14.214 15.277 465 HA PRO 59 HA PRO 59 -11.615 -14.688 19.392 466 1HB PRO 59 2HB PRO 59 -9.175 -14.890 17.872 467 2HB PRO 59 1HB PRO 59 -10.409 -16.129 18.121 468 1HG PRO 59 2HG PRO 59 -9.871 -14.577 15.735 469 2HG PRO 59 1HG PRO 59 -11.018 -15.903 15.946 470 1HD PRO 59 2HD PRO 59 -11.641 -13.149 15.606 471 2HD PRO 59 1HD PRO 59 -12.778 -14.445 16.036 472 H LEU 60 HN LEU 60 -9.702 -12.188 17.652 473 HA LEU 60 HA LEU 60 -7.775 -11.642 19.622 474 1HB LEU 60 2HB LEU 60 -8.677 -10.593 17.194 475 2HB LEU 60 1HB LEU 60 -8.871 -9.260 18.331 476 HG LEU 60 HG LEU 60 -6.429 -10.116 19.086 477 1HD1 LEU 60 2HD1 LEU 60 -6.969 -11.381 16.521 478 2HD1 LEU 60 1HD1 LEU 60 -5.557 -10.329 16.435 479 3HD1 LEU 60 3HD1 LEU 60 -5.616 -11.631 17.623 480 1HD2 LEU 60 2HD2 LEU 60 -7.466 -7.899 17.854 481 2HD2 LEU 60 1HD2 LEU 60 -5.765 -8.094 18.277 482 3HD2 LEU 60 3HD2 LEU 60 -6.315 -8.462 16.642 483 H CYS 61 HN CYS 61 -11.108 -10.385 19.326 484 HA CYS 61 HA CYS 61 -10.995 -8.598 21.566 485 1HB CYS 61 2HB CYS 61 -13.133 -10.058 20.020 486 2HB CYS 61 1HB CYS 61 -13.563 -9.073 21.418 487 H LYS 62 HN LYS 62 -11.517 -12.073 21.310 488 HA LYS 62 HA LYS 62 -12.441 -12.286 24.106 489 1HB LYS 62 2HB LYS 62 -11.866 -14.301 21.915 490 2HB LYS 62 1HB LYS 62 -12.608 -14.692 23.466 491 1HG LYS 62 2HG LYS 62 -14.479 -13.188 22.982 492 2HG LYS 62 1HG LYS 62 -13.722 -12.702 21.465 493 1HD LYS 62 2HD LYS 62 -15.419 -14.395 21.005 494 2HD LYS 62 1HD LYS 62 -13.823 -15.080 20.703 495 1HE LYS 62 2HE LYS 62 -14.379 -16.754 22.134 496 2HE LYS 62 1HE LYS 62 -14.346 -15.555 23.442 497 1HZ LYS 62 1HZ LYS 62 -16.662 -16.008 21.630 498 2HZ LYS 62 3HZ LYS 62 -16.534 -16.672 23.184 499 3HZ LYS 62 2HZ LYS 62 -16.618 -14.987 22.987 500 H GLU 63 HN GLU 63 -9.407 -11.896 22.774 501 HA GLU 63 HA GLU 63 -8.175 -13.678 24.851 502 1HB GLU 63 2HB GLU 63 -6.259 -13.803 23.274 503 2HB GLU 63 1HB GLU 63 -7.750 -14.381 22.532 504 1HG GLU 63 2HG GLU 63 -8.072 -12.207 21.440 505 2HG GLU 63 1HG GLU 63 -6.616 -11.585 22.219 506 HA PRO 64 HA PRO 64 -6.632 -9.999 26.725 507 1HB PRO 64 2HB PRO 64 -4.305 -11.390 27.685 508 2HB PRO 64 1HB PRO 64 -5.776 -10.982 28.573 509 1HG PRO 64 2HG PRO 64 -4.920 -13.571 27.703 510 2HG PRO 64 1HG PRO 64 -6.417 -13.156 28.541 511 1HD PRO 64 2HD PRO 64 -6.065 -13.923 25.762 512 2HD PRO 64 1HD PRO 64 -7.583 -13.597 26.631 513 H ASN 65 HN ASN 65 -4.798 -11.859 24.417 514 HA ASN 65 HA ASN 65 -2.519 -10.031 24.287 515 1HB ASN 65 2HB ASN 65 -3.529 -12.185 22.401 516 2HB ASN 65 1HB ASN 65 -1.915 -11.476 22.382 517 1HD2 ASN 65 1HD2 ASN 65 -2.980 -14.324 23.063 518 2HD2 ASN 65 2HD2 ASN 65 -2.237 -14.677 24.548 519 H ALA 66 HN ALA 66 -5.715 -9.988 23.072 520 HA ALA 66 HA ALA 66 -5.617 -8.865 20.534 521 1HB ALA 66 1HB ALA 66 -7.474 -9.311 22.452 522 2HB ALA 66 2HB ALA 66 -7.801 -8.335 21.020 523 3HB ALA 66 3HB ALA 66 -7.369 -7.556 22.543 524 H GLN 67 HN GLN 67 -5.088 -7.193 23.644 525 HA GLN 67 HA GLN 67 -4.903 -4.533 22.703 526 1HB GLN 67 2HB GLN 67 -3.456 -6.016 24.919 527 2HB GLN 67 1HB GLN 67 -3.493 -4.258 24.772 528 1HG GLN 67 2HG GLN 67 -5.959 -4.299 24.899 529 2HG GLN 67 1HG GLN 67 -5.923 -6.056 25.045 530 1HE2 GLN 67 1HE2 GLN 67 -7.084 -4.554 27.128 531 2HE2 GLN 67 2HE2 GLN 67 -6.080 -4.616 28.496 532 H GLU 68 HN GLU 68 -2.369 -7.049 22.900 533 HA GLU 68 HA GLU 68 -0.309 -5.280 21.808 534 1HB GLU 68 2HB GLU 68 -0.484 -8.268 22.312 535 2HB GLU 68 1HB GLU 68 0.996 -7.418 21.866 536 1HG GLU 68 2HG GLU 68 0.767 -5.993 23.883 537 2HG GLU 68 1HG GLU 68 -0.685 -6.887 24.336 538 H ILE 69 HN ILE 69 -2.469 -7.808 20.569 539 HA ILE 69 HA ILE 69 -1.225 -8.073 17.977 540 HB ILE 69 HB ILE 69 -4.048 -8.572 18.980 541 1HG1 ILE 69 2HG1 ILE 69 -1.716 -10.472 18.594 542 2HG1 ILE 69 1HG1 ILE 69 -2.206 -9.802 20.150 543 1HG2 ILE 69 2HG2 ILE 69 -2.698 -9.020 16.364 544 2HG2 ILE 69 1HG2 ILE 69 -3.710 -10.332 16.968 545 3HG2 ILE 69 3HG2 ILE 69 -4.402 -8.729 16.715 546 1HD1 ILE 69 3HD1 ILE 69 -4.557 -10.826 18.946 547 2HD1 ILE 69 2HD1 ILE 69 -3.310 -12.056 18.730 548 3HD1 ILE 69 1HD1 ILE 69 -3.703 -11.472 20.347 549 H LEU 70 HN LEU 70 -4.054 -6.198 19.118 550 HA LEU 70 HA LEU 70 -4.932 -5.032 16.751 551 1HB LEU 70 2HB LEU 70 -5.985 -4.721 18.926 552 2HB LEU 70 1HB LEU 70 -4.576 -3.846 19.522 553 HG LEU 70 HG LEU 70 -6.749 -2.585 18.563 554 1HD1 LEU 70 2HD1 LEU 70 -4.604 -1.648 19.555 555 2HD1 LEU 70 1HD1 LEU 70 -3.957 -1.615 17.914 556 3HD1 LEU 70 3HD1 LEU 70 -5.368 -0.640 18.325 557 1HD2 LEU 70 1HD2 LEU 70 -6.227 -3.785 16.302 558 2HD2 LEU 70 3HD2 LEU 70 -6.644 -2.072 16.276 559 3HD2 LEU 70 2HD2 LEU 70 -4.958 -2.571 16.143 560 H GLN 71 HN GLN 71 -2.579 -3.415 18.938 561 HA GLN 71 HA GLN 71 -1.808 -1.315 17.268 562 1HB GLN 71 2HB GLN 71 -1.162 -1.746 19.646 563 2HB GLN 71 1HB GLN 71 -0.042 -2.985 19.082 564 1HG GLN 71 2HG GLN 71 1.073 -1.226 17.664 565 2HG GLN 71 1HG GLN 71 0.046 -0.023 18.444 566 1HE2 GLN 71 1HE2 GLN 71 1.320 1.044 19.973 567 2HE2 GLN 71 2HE2 GLN 71 2.369 0.278 21.067 568 H ARG 72 HN ARG 72 -0.153 -4.492 17.485 569 HA ARG 72 HA ARG 72 1.766 -4.120 15.471 570 1HB ARG 72 2HB ARG 72 0.171 -6.566 16.297 571 2HB ARG 72 1HB ARG 72 1.633 -6.630 15.312 572 1HG ARG 72 2HG ARG 72 2.843 -5.418 17.154 573 2HG ARG 72 1HG ARG 72 1.391 -5.569 18.143 574 1HD ARG 72 2HD ARG 72 1.516 -8.066 17.838 575 2HD ARG 72 1HD ARG 72 3.072 -7.838 17.020 576 HE ARG 72 HE ARG 72 2.523 -7.057 19.863 577 1HH1 ARG 72 1HH1 ARG 72 4.262 -9.400 19.410 578 2HH1 ARG 72 2HH1 ARG 72 5.851 -8.712 19.422 579 1HH2 ARG 72 1HH2 ARG 72 4.737 -5.463 18.947 580 2HH2 ARG 72 2HH2 ARG 72 6.120 -6.483 19.161 581 H LEU 73 HN LEU 73 -1.489 -5.594 15.050 582 HA LEU 73 HA LEU 73 -1.439 -5.992 12.275 583 1HB LEU 73 2HB LEU 73 -3.205 -6.577 14.026 584 2HB LEU 73 1HB LEU 73 -3.794 -4.925 13.857 585 HG LEU 73 HG LEU 73 -4.447 -5.266 11.614 586 1HD1 LEU 73 2HD1 LEU 73 -2.470 -7.521 11.733 587 2HD1 LEU 73 1HD1 LEU 73 -3.781 -7.595 10.555 588 3HD1 LEU 73 3HD1 LEU 73 -2.640 -6.251 10.521 589 1HD2 LEU 73 2HD2 LEU 73 -5.880 -6.483 13.229 590 2HD2 LEU 73 1HD2 LEU 73 -5.834 -7.296 11.665 591 3HD2 LEU 73 3HD2 LEU 73 -4.885 -7.922 13.013 592 H GLU 74 HN GLU 74 -2.481 -3.031 14.013 593 HA GLU 74 HA GLU 74 -3.123 -1.436 11.773 594 1HB GLU 74 2HB GLU 74 -1.813 -0.671 14.402 595 2HB GLU 74 1HB GLU 74 -2.701 0.426 13.346 596 1HG GLU 74 2HG GLU 74 -4.709 -1.073 13.605 597 2HG GLU 74 1HG GLU 74 -3.802 -1.986 14.810 598 H GLU 75 HN GLU 75 0.068 -1.962 13.335 599 HA GLU 75 HA GLU 75 1.515 -0.078 11.729 600 1HB GLU 75 2HB GLU 75 2.193 -1.141 13.908 601 2HB GLU 75 1HB GLU 75 2.453 -2.652 13.037 602 1HG GLU 75 2HG GLU 75 4.094 -1.490 11.568 603 2HG GLU 75 1HG GLU 75 3.871 -0.020 12.516 604 H ILE 76 HN ILE 76 1.366 -3.663 11.474 605 HA ILE 76 HA ILE 76 2.789 -3.873 9.017 606 HB ILE 76 HB ILE 76 0.515 -5.578 10.088 607 1HG1 ILE 76 2HG1 ILE 76 2.115 -5.335 11.853 608 2HG1 ILE 76 1HG1 ILE 76 2.459 -6.889 11.094 609 1HG2 ILE 76 3HG2 ILE 76 2.655 -5.952 8.018 610 2HG2 ILE 76 2HG2 ILE 76 2.113 -7.348 8.951 611 3HG2 ILE 76 1HG2 ILE 76 0.961 -6.440 7.972 612 1HD1 ILE 76 2HD1 ILE 76 4.170 -5.678 9.654 613 2HD1 ILE 76 1HD1 ILE 76 3.938 -4.276 10.698 614 3HD1 ILE 76 3HD1 ILE 76 4.572 -5.779 11.369 615 H ALA 77 HN ALA 77 -0.658 -3.439 9.697 616 HA ALA 77 HA ALA 77 -1.622 -3.599 6.999 617 1HB ALA 77 3HB ALA 77 -3.013 -3.713 9.046 618 2HB ALA 77 2HB ALA 77 -2.622 -2.031 9.404 619 3HB ALA 77 1HB ALA 77 -3.582 -2.431 7.979 620 H GLU 78 HN GLU 78 -0.085 -1.065 8.860 621 HA GLU 78 HA GLU 78 -0.761 1.186 7.224 622 1HB GLU 78 2HB GLU 78 0.184 1.185 9.545 623 2HB GLU 78 1HB GLU 78 1.724 0.641 8.880 624 1HG GLU 78 2HG GLU 78 1.725 2.687 7.410 625 2HG GLU 78 1HG GLU 78 0.299 3.250 8.284 626 H ASP 79 HN ASP 79 1.890 -1.204 7.028 627 HA ASP 79 HA ASP 79 2.404 -0.296 4.243 628 1HB ASP 79 2HB ASP 79 4.015 0.278 6.596 629 2HB ASP 79 1HB ASP 79 4.940 -0.627 5.398 630 HA PRO 80 HA PRO 80 3.011 -4.552 3.402 631 1HB PRO 80 2HB PRO 80 5.328 -4.104 1.758 632 2HB PRO 80 1HB PRO 80 3.662 -4.363 1.239 633 1HG PRO 80 2HG PRO 80 5.176 -1.922 1.161 634 2HG PRO 80 1HG PRO 80 3.508 -2.180 0.643 635 1HD PRO 80 2HD PRO 80 4.441 -0.746 2.969 636 2HD PRO 80 1HD PRO 80 2.760 -1.003 2.444 637 H GLY 81 HN GLY 81 6.352 -3.276 3.287 638 1HA GLY 81 1HA GLY 81 7.075 -4.544 5.817 639 2HA GLY 81 2HA GLY 81 8.186 -3.742 4.703 640 H THR 82 HN THR 82 8.133 -6.516 6.070 641 HA THR 82 HA THR 82 9.252 -7.976 3.794 642 HB THR 82 HB THR 82 9.745 -9.636 5.538 643 HG1 THR 82 1HG THR 82 8.223 -7.989 7.264 644 1HG2 THR 82 1HG2 THR 82 10.886 -7.263 5.384 645 2HG2 THR 82 3HG2 THR 82 10.097 -7.011 6.941 646 3HG2 THR 82 2HG2 THR 82 11.248 -8.333 6.738 647 H CYS 83 HN CYS 83 6.206 -7.835 5.489 648 HA CYS 83 HA CYS 83 5.070 -10.356 4.961 649 1HB CYS 83 2HB CYS 83 4.184 -8.311 6.241 650 2HB CYS 83 1HB CYS 83 3.645 -7.700 4.676 651 H GLU 84 HN GLU 84 4.880 -7.434 2.890 652 HA GLU 84 HA GLU 84 3.544 -8.613 0.692 653 1HB GLU 84 2HB GLU 84 3.939 -6.193 1.131 654 2HB GLU 84 1HB GLU 84 5.641 -6.422 0.729 655 1HG GLU 84 2HG GLU 84 4.942 -7.258 -1.526 656 2HG GLU 84 1HG GLU 84 3.272 -6.864 -1.114 657 H ILE 85 HN ILE 85 6.998 -8.637 1.535 658 HA ILE 85 HA ILE 85 7.624 -9.996 -1.039 659 HB ILE 85 HB ILE 85 9.905 -9.454 -0.477 660 1HG1 ILE 85 2HG1 ILE 85 8.784 -8.961 2.288 661 2HG1 ILE 85 1HG1 ILE 85 10.025 -10.121 1.820 662 1HG2 ILE 85 2HG2 ILE 85 8.342 -7.568 -1.142 663 2HG2 ILE 85 1HG2 ILE 85 8.219 -7.167 0.570 664 3HG2 ILE 85 3HG2 ILE 85 9.776 -7.061 -0.250 665 1HD1 ILE 85 1HD1 ILE 85 11.394 -8.091 1.039 666 2HD1 ILE 85 3HD1 ILE 85 10.231 -7.108 1.929 667 3HD1 ILE 85 2HD1 ILE 85 11.215 -8.296 2.781 668 H CYS 86 HN CYS 86 6.348 -11.051 1.712 669 HA CYS 86 HA CYS 86 6.337 -13.144 2.808 670 1HB CYS 86 2HB CYS 86 8.083 -13.920 0.452 671 2HB CYS 86 1HB CYS 86 7.064 -14.992 1.414 672 H ALA 87 HN ALA 87 8.867 -11.165 2.798 673 HA ALA 87 HA ALA 87 11.145 -12.780 3.458 674 1HB ALA 87 2HB ALA 87 11.568 -10.459 4.774 675 2HB ALA 87 3HB ALA 87 10.227 -9.960 3.744 676 3HB ALA 87 1HB ALA 87 11.708 -10.587 3.022 677 H TYR 88 HN TYR 88 8.248 -12.072 5.182 678 HA TYR 88 HA TYR 88 9.406 -13.335 7.637 679 1HB TYR 88 2HB TYR 88 9.257 -10.791 7.693 680 2HB TYR 88 1HB TYR 88 7.506 -10.975 7.600 681 HD1 TYR 88 HD1 TYR 88 10.450 -12.235 9.557 682 HD2 TYR 88 HD2 TYR 88 6.283 -11.191 9.578 683 HE1 TYR 88 HE1 TYR 88 10.362 -12.638 12.003 684 HE2 TYR 88 HE2 TYR 88 6.195 -11.593 12.023 685 HH TYR 88 HH TYR 88 8.720 -11.667 13.965 686 H ALA 89 HN ALA 89 7.609 -14.153 9.086 687 HA ALA 89 HA ALA 89 5.659 -15.660 7.547 688 1HB ALA 89 1HB ALA 89 6.917 -15.758 10.044 689 2HB ALA 89 3HB ALA 89 5.217 -15.491 10.427 690 3HB ALA 89 2HB ALA 89 5.693 -16.882 9.454 691 H ALA 90 HN ALA 90 5.656 -12.458 8.345 692 HA ALA 90 HA ALA 90 3.088 -11.973 9.490 693 1HB ALA 90 1HB ALA 90 5.041 -10.471 7.762 694 2HB ALA 90 3HB ALA 90 3.488 -9.741 8.172 695 3HB ALA 90 2HB ALA 90 4.616 -10.190 9.451 696 H CYS 91 HN CYS 91 4.115 -12.368 6.098 697 HA CYS 91 HA CYS 91 1.268 -12.109 5.232 698 1HB CYS 91 2HB CYS 91 3.918 -11.496 4.165 699 2HB CYS 91 1HB CYS 91 2.913 -12.356 3.001 700 H THR 92 HN THR 92 0.197 -14.028 5.028 701 HA THR 92 HA THR 92 1.761 -16.507 4.457 702 HB THR 92 HB THR 92 -0.243 -17.616 5.356 703 HG1 THR 92 1HG THR 92 -1.277 -15.104 4.894 704 1HG2 THR 92 3HG2 THR 92 1.556 -16.215 6.784 705 2HG2 THR 92 2HG2 THR 92 0.090 -15.361 7.264 706 3HG2 THR 92 1HG2 THR 92 0.228 -17.098 7.539 707 H GLY 93 HN GLY 93 0.636 -18.077 2.940 708 1HA GLY 93 1HA GLY 93 -1.159 -16.810 0.955 709 2HA GLY 93 2HA GLY 93 -0.763 -18.527 1.038 710 H CYS 94 HN CYS 94 2.049 -16.774 1.431 711 HA CYS 94 HA CYS 94 2.608 -16.573 -1.493 712 1HB CYS 94 2HB CYS 94 2.985 -14.777 0.417 713 2HB CYS 94 1HB CYS 94 4.460 -15.700 0.704 No H/Q in entry = 713 Start of MODEL 23 1 H1 VAL 1 2H VAL 1 -2.530 -12.537 0.500 2 H2 VAL 1 1H VAL 1 -2.012 -11.415 -0.667 3 H3 VAL 1 3H VAL 1 -1.246 -12.924 -0.544 4 HA VAL 1 HA VAL 1 -0.103 -12.364 1.372 5 HB VAL 1 HB VAL 1 -0.555 -9.939 -0.389 6 1HG1 VAL 1 1HG1 VAL 1 0.995 -10.243 2.087 7 2HG1 VAL 1 3HG1 VAL 1 1.963 -9.681 0.724 8 3HG1 VAL 1 2HG1 VAL 1 0.534 -8.776 1.225 9 1HG2 VAL 1 3HG2 VAL 1 0.633 -12.363 -0.927 10 2HG2 VAL 1 2HG2 VAL 1 1.006 -10.855 -1.762 11 3HG2 VAL 1 1HG2 VAL 1 2.010 -11.387 -0.412 12 H THR 2 HN THR 2 -1.407 -12.472 3.272 13 HA THR 2 HA THR 2 -2.607 -9.855 4.122 14 HB THR 2 HB THR 2 -4.202 -11.731 3.416 15 HG1 THR 2 1HG THR 2 -5.170 -11.522 5.765 16 1HG2 THR 2 2HG2 THR 2 -2.518 -13.187 5.178 17 2HG2 THR 2 1HG2 THR 2 -4.113 -13.110 5.927 18 3HG2 THR 2 3HG2 THR 2 -3.933 -13.774 4.304 19 H VAL 3 HN VAL 3 -2.820 -9.772 6.573 20 HA VAL 3 HA VAL 3 -0.317 -10.789 7.803 21 HB VAL 3 HB VAL 3 -2.148 -8.523 8.080 22 1HG1 VAL 3 1HG1 VAL 3 -1.377 -10.123 10.510 23 2HG1 VAL 3 3HG1 VAL 3 -1.504 -8.368 10.615 24 3HG1 VAL 3 2HG1 VAL 3 -2.909 -9.327 10.148 25 1HG2 VAL 3 1HG2 VAL 3 0.715 -9.229 8.514 26 2HG2 VAL 3 3HG2 VAL 3 0.015 -7.884 7.611 27 3HG2 VAL 3 2HG2 VAL 3 0.094 -7.817 9.373 28 H GLN 4 HN GLN 4 -0.470 -12.763 8.758 29 HA GLN 4 HA GLN 4 -3.073 -13.546 10.018 30 1HB GLN 4 2HB GLN 4 -2.147 -14.888 8.121 31 2HB GLN 4 1HB GLN 4 -0.719 -15.224 9.101 32 1HG GLN 4 2HG GLN 4 -2.045 -16.388 10.752 33 2HG GLN 4 1HG GLN 4 -3.544 -15.893 9.968 34 1HE2 GLN 4 1HE2 GLN 4 -3.265 -18.605 10.263 35 2HE2 GLN 4 2HE2 GLN 4 -2.861 -19.345 8.789 36 H ASP 5 HN ASP 5 -3.081 -13.463 12.214 37 HA ASP 5 HA ASP 5 -0.493 -13.573 13.697 38 1HB ASP 5 2HB ASP 5 -1.877 -12.638 15.522 39 2HB ASP 5 1HB ASP 5 -2.074 -11.688 14.049 40 H GLY 6 HN GLY 6 -2.726 -15.706 12.599 41 1HA GLY 6 1HA GLY 6 -3.600 -17.252 14.772 42 2HA GLY 6 2HA GLY 6 -1.962 -17.803 14.413 43 H ASN 7 HN ASN 7 -4.722 -19.055 13.990 44 HA ASN 7 HA ASN 7 -4.128 -20.191 11.351 45 1HB ASN 7 2HB ASN 7 -6.343 -20.606 13.384 46 2HB ASN 7 1HB ASN 7 -6.106 -21.609 11.954 47 1HD2 ASN 7 1HD2 ASN 7 -5.916 -22.708 14.601 48 2HD2 ASN 7 2HD2 ASN 7 -4.306 -23.170 14.873 49 H PHE 8 HN PHE 8 -5.646 -17.379 12.245 50 HA PHE 8 HA PHE 8 -7.722 -17.575 10.095 51 1HB PHE 8 2HB PHE 8 -7.349 -15.705 12.457 52 2HB PHE 8 1HB PHE 8 -8.687 -15.615 11.311 53 HD1 PHE 8 HD1 PHE 8 -10.389 -17.391 11.212 54 HD2 PHE 8 HD2 PHE 8 -7.205 -17.497 14.093 55 HE1 PHE 8 HE1 PHE 8 -11.607 -19.131 12.493 56 HE2 PHE 8 HE2 PHE 8 -8.423 -19.237 15.374 57 HZ PHE 8 HZ PHE 8 -10.623 -20.055 14.574 58 H SER 9 HN SER 9 -7.498 -16.299 8.286 59 HA SER 9 HA SER 9 -5.052 -14.686 7.969 60 1HB SER 9 2HB SER 9 -6.411 -16.326 6.350 61 2HB SER 9 1HB SER 9 -7.260 -14.833 5.953 62 HG SER 9 HG SER 9 -4.527 -15.452 5.671 63 H PHE 10 HN PHE 10 -5.022 -12.488 8.340 64 HA PHE 10 HA PHE 10 -7.659 -11.059 8.416 65 1HB PHE 10 2HB PHE 10 -5.059 -10.651 9.926 66 2HB PHE 10 1HB PHE 10 -6.457 -9.585 10.061 67 HD1 PHE 10 HD1 PHE 10 -8.512 -11.931 9.719 68 HD2 PHE 10 HD2 PHE 10 -5.112 -11.325 12.275 69 HE1 PHE 10 HE1 PHE 10 -9.508 -13.450 11.404 70 HE2 PHE 10 HE2 PHE 10 -6.110 -12.847 13.960 71 HZ PHE 10 HZ PHE 10 -8.307 -13.908 13.526 72 H SER 11 HN SER 11 -7.899 -9.474 6.906 73 HA SER 11 HA SER 11 -5.727 -8.762 5.091 74 1HB SER 11 2HB SER 11 -7.472 -7.523 3.981 75 2HB SER 11 1HB SER 11 -8.210 -9.004 4.590 76 HG SER 11 HG SER 11 -8.898 -6.516 5.117 77 H LEU 12 HN LEU 12 -5.376 -6.302 4.664 78 HA LEU 12 HA LEU 12 -4.770 -5.009 7.280 79 1HB LEU 12 2HB LEU 12 -3.851 -4.511 4.430 80 2HB LEU 12 1HB LEU 12 -3.238 -3.659 5.846 81 HG LEU 12 HG LEU 12 -2.670 -5.987 6.789 82 1HD1 LEU 12 1HD1 LEU 12 -3.548 -6.621 4.003 83 2HD1 LEU 12 3HD1 LEU 12 -2.174 -7.513 4.655 84 3HD1 LEU 12 2HD1 LEU 12 -3.733 -7.568 5.479 85 1HD2 LEU 12 1HD2 LEU 12 -1.250 -4.208 5.184 86 2HD2 LEU 12 3HD2 LEU 12 -0.558 -5.530 6.125 87 3HD2 LEU 12 2HD2 LEU 12 -0.965 -5.775 4.426 88 H GLU 13 HN GLU 13 -7.109 -4.875 4.850 89 HA GLU 13 HA GLU 13 -7.525 -2.018 4.648 90 1HB GLU 13 2HB GLU 13 -9.395 -4.369 4.211 91 2HB GLU 13 1HB GLU 13 -9.632 -2.737 3.587 92 1HG GLU 13 2HG GLU 13 -7.509 -2.927 2.321 93 2HG GLU 13 1HG GLU 13 -7.311 -4.573 2.920 94 H SER 14 HN SER 14 -9.864 -4.333 6.035 95 HA SER 14 HA SER 14 -11.397 -2.610 7.555 96 1HB SER 14 2HB SER 14 -10.406 -5.284 8.559 97 2HB SER 14 1HB SER 14 -11.984 -4.548 8.835 98 HG SER 14 HG SER 14 -11.924 -4.592 6.330 99 H VAL 15 HN VAL 15 -8.397 -4.205 8.699 100 HA VAL 15 HA VAL 15 -8.344 -3.034 11.282 101 HB VAL 15 HB VAL 15 -5.834 -3.514 10.995 102 1HG1 VAL 15 3HG1 VAL 15 -7.832 -5.084 11.704 103 2HG1 VAL 15 2HG1 VAL 15 -7.509 -5.859 10.150 104 3HG1 VAL 15 1HG1 VAL 15 -6.242 -5.780 11.375 105 1HG2 VAL 15 3HG2 VAL 15 -6.767 -3.682 8.240 106 2HG2 VAL 15 2HG2 VAL 15 -5.119 -3.654 8.859 107 3HG2 VAL 15 1HG2 VAL 15 -5.991 -5.180 8.749 108 H LYS 16 HN LYS 16 -6.839 -1.877 8.227 109 HA LYS 16 HA LYS 16 -5.624 0.463 9.300 110 1HB LYS 16 2HB LYS 16 -5.256 -0.471 7.029 111 2HB LYS 16 1HB LYS 16 -6.907 -0.030 6.587 112 1HG LYS 16 2HG LYS 16 -6.401 2.338 6.954 113 2HG LYS 16 1HG LYS 16 -4.774 1.930 7.495 114 1HD LYS 16 2HD LYS 16 -4.361 0.887 5.245 115 2HD LYS 16 1HD LYS 16 -5.932 1.497 4.726 116 1HE LYS 16 2HE LYS 16 -4.676 3.723 5.879 117 2HE LYS 16 1HE LYS 16 -3.402 2.924 4.939 118 1HZ LYS 16 2HZ LYS 16 -6.151 3.519 3.960 119 2HZ LYS 16 1HZ LYS 16 -4.761 4.408 3.554 120 3HZ LYS 16 3HZ LYS 16 -4.906 2.792 3.060 121 H LYS 17 HN LYS 17 -8.804 0.127 7.671 122 HA LYS 17 HA LYS 17 -9.678 2.776 8.574 123 1HB LYS 17 2HB LYS 17 -11.111 0.443 7.255 124 2HB LYS 17 1HB LYS 17 -11.748 2.081 7.394 125 1HG LYS 17 2HG LYS 17 -9.852 2.935 6.068 126 2HG LYS 17 1HG LYS 17 -9.204 1.300 5.937 127 1HD LYS 17 2HD LYS 17 -11.269 0.582 4.780 128 2HD LYS 17 1HD LYS 17 -11.901 2.224 4.898 129 1HE LYS 17 2HE LYS 17 -9.919 3.032 3.585 130 2HE LYS 17 1HE LYS 17 -9.421 1.342 3.376 131 1HZ LYS 17 3HZ LYS 17 -12.171 2.249 2.750 132 2HZ LYS 17 2HZ LYS 17 -10.930 2.339 1.592 133 3HZ LYS 17 1HZ LYS 17 -11.387 0.835 2.237 134 H LEU 18 HN LEU 18 -9.120 0.149 10.333 135 HA LEU 18 HA LEU 18 -11.522 -0.598 11.640 136 1HB LEU 18 2HB LEU 18 -9.136 -1.543 11.696 137 2HB LEU 18 1HB LEU 18 -8.780 -0.297 12.891 138 HG LEU 18 HG LEU 18 -11.058 -2.271 13.187 139 1HD1 LEU 18 3HD1 LEU 18 -8.187 -2.406 14.167 140 2HD1 LEU 18 2HD1 LEU 18 -9.489 -3.401 14.823 141 3HD1 LEU 18 1HD1 LEU 18 -9.017 -3.568 13.132 142 1HD2 LEU 18 1HD2 LEU 18 -9.795 -0.135 14.864 143 2HD2 LEU 18 3HD2 LEU 18 -11.498 -0.559 14.690 144 3HD2 LEU 18 2HD2 LEU 18 -10.436 -1.566 15.674 145 H LYS 19 HN LYS 19 -9.456 2.239 12.023 146 HA LYS 19 HA LYS 19 -10.461 3.139 14.559 147 1HB LYS 19 2HB LYS 19 -9.307 4.598 12.161 148 2HB LYS 19 1HB LYS 19 -9.501 5.310 13.763 149 1HG LYS 19 2HG LYS 19 -8.064 3.493 14.699 150 2HG LYS 19 1HG LYS 19 -7.804 2.897 13.059 151 1HD LYS 19 2HD LYS 19 -6.887 5.145 12.442 152 2HD LYS 19 1HD LYS 19 -7.035 5.628 14.132 153 1HE LYS 19 2HE LYS 19 -5.685 3.213 14.312 154 2HE LYS 19 1HE LYS 19 -4.993 3.950 12.855 155 1HZ LYS 19 1HZ LYS 19 -4.785 6.041 14.129 156 2HZ LYS 19 3HZ LYS 19 -5.302 5.229 15.525 157 3HZ LYS 19 2HZ LYS 19 -3.840 4.789 14.782 158 H ASP 20 HN ASP 20 -11.589 3.595 11.223 159 HA ASP 20 HA ASP 20 -14.096 4.815 12.326 160 1HB ASP 20 2HB ASP 20 -12.483 6.483 11.358 161 2HB ASP 20 1HB ASP 20 -12.607 5.639 9.815 162 H LEU 21 HN LEU 21 -15.985 4.061 11.321 163 HA LEU 21 HA LEU 21 -15.699 1.707 9.574 164 1HB LEU 21 2HB LEU 21 -17.694 2.987 11.318 165 2HB LEU 21 1HB LEU 21 -18.386 2.250 9.873 166 HG LEU 21 HG LEU 21 -18.299 0.593 11.671 167 1HD1 LEU 21 1HD1 LEU 21 -16.899 0.353 9.145 168 2HD1 LEU 21 3HD1 LEU 21 -16.175 -0.708 10.353 169 3HD1 LEU 21 2HD1 LEU 21 -17.893 -0.841 9.979 170 1HD2 LEU 21 3HD2 LEU 21 -15.456 1.553 11.837 171 2HD2 LEU 21 2HD2 LEU 21 -16.611 1.266 13.138 172 3HD2 LEU 21 1HD2 LEU 21 -15.845 -0.097 12.323 173 H GLN 22 HN GLN 22 -16.202 1.659 7.391 174 HA GLN 22 HA GLN 22 -17.332 4.149 6.160 175 1HB GLN 22 2HB GLN 22 -14.968 2.453 5.293 176 2HB GLN 22 1HB GLN 22 -15.661 3.753 4.323 177 1HG GLN 22 2HG GLN 22 -15.212 5.346 6.174 178 2HG GLN 22 1HG GLN 22 -14.465 4.042 7.096 179 1HE2 GLN 22 1HE2 GLN 22 -12.813 6.178 6.539 180 2HE2 GLN 22 2HE2 GLN 22 -11.705 5.784 5.315 181 H GLU 23 HN GLU 23 -18.048 3.607 3.806 182 HA GLU 23 HA GLU 23 -20.108 1.778 3.678 183 1HB GLU 23 2HB GLU 23 -18.251 3.079 1.776 184 2HB GLU 23 1HB GLU 23 -19.107 1.678 1.133 185 1HG GLU 23 2HG GLU 23 -21.170 2.890 2.354 186 2HG GLU 23 1HG GLU 23 -20.179 4.312 2.028 187 HA PRO 24 HA PRO 24 -18.205 -2.208 4.095 188 1HB PRO 24 2HB PRO 24 -20.417 -3.416 2.706 189 2HB PRO 24 1HB PRO 24 -20.118 -3.372 4.445 190 1HG PRO 24 2HG PRO 24 -22.118 -1.940 2.972 191 2HG PRO 24 1HG PRO 24 -21.800 -1.877 4.707 192 1HD PRO 24 2HD PRO 24 -21.243 0.151 2.718 193 2HD PRO 24 1HD PRO 24 -20.964 0.230 4.473 194 H GLN 25 HN GLN 25 -16.908 -0.959 2.118 195 HA GLN 25 HA GLN 25 -17.139 -2.786 -0.251 196 1HB GLN 25 2HB GLN 25 -16.484 0.175 -0.100 197 2HB GLN 25 1HB GLN 25 -16.432 -0.786 -1.579 198 1HG GLN 25 2HG GLN 25 -18.824 -1.315 -1.333 199 2HG GLN 25 1HG GLN 25 -18.883 -0.389 0.166 200 1HE2 GLN 25 1HE2 GLN 25 -20.569 0.406 -1.930 201 2HE2 GLN 25 2HE2 GLN 25 -20.007 1.862 -2.598 202 H GLU 26 HN GLU 26 -15.185 -3.688 -0.926 203 HA GLU 26 HA GLU 26 -12.688 -2.696 0.407 204 1HB GLU 26 2HB GLU 26 -14.072 -5.282 0.482 205 2HB GLU 26 1HB GLU 26 -12.370 -5.428 0.043 206 1HG GLU 26 2HG GLU 26 -12.240 -5.479 2.370 207 2HG GLU 26 1HG GLU 26 -12.022 -3.758 2.057 208 HA PRO 27 HA PRO 27 -12.343 -2.924 -4.267 209 1HB PRO 27 2HB PRO 27 -10.846 -0.478 -4.051 210 2HB PRO 27 1HB PRO 27 -12.430 -0.720 -4.790 211 1HG PRO 27 2HG PRO 27 -11.823 0.624 -2.327 212 2HG PRO 27 1HG PRO 27 -13.408 0.370 -3.060 213 1HD PRO 27 2HD PRO 27 -12.312 -0.910 -0.711 214 2HD PRO 27 1HD PRO 27 -13.917 -1.153 -1.441 215 H ARG 28 HN ARG 28 -10.431 -3.648 -5.304 216 HA ARG 28 HA ARG 28 -8.023 -3.896 -3.537 217 1HB ARG 28 2HB ARG 28 -9.259 -5.956 -4.272 218 2HB ARG 28 1HB ARG 28 -8.882 -5.535 -5.943 219 1HG ARG 28 2HG ARG 28 -6.464 -5.608 -5.403 220 2HG ARG 28 1HG ARG 28 -6.857 -6.062 -3.745 221 1HD ARG 28 2HD ARG 28 -8.026 -8.097 -4.617 222 2HD ARG 28 1HD ARG 28 -7.493 -7.660 -6.252 223 HE ARG 28 HE ARG 28 -5.748 -8.586 -4.049 224 1HH1 ARG 28 1HH1 ARG 28 -5.980 -6.793 -6.974 225 2HH1 ARG 28 2HH1 ARG 28 -4.409 -7.250 -7.539 226 1HH2 ARG 28 1HH2 ARG 28 -3.751 -9.329 -4.844 227 2HH2 ARG 28 2HH2 ARG 28 -3.147 -8.686 -6.334 228 H VAL 29 HN VAL 29 -6.217 -2.793 -4.189 229 HA VAL 29 HA VAL 29 -5.910 -2.120 -7.088 230 HB VAL 29 HB VAL 29 -6.936 -0.248 -5.770 231 1HG1 VAL 29 1HG1 VAL 29 -5.065 -1.071 -3.846 232 2HG1 VAL 29 3HG1 VAL 29 -4.485 0.499 -4.402 233 3HG1 VAL 29 2HG1 VAL 29 -6.117 0.342 -3.753 234 1HG2 VAL 29 1HG2 VAL 29 -4.313 -0.103 -7.165 235 2HG2 VAL 29 3HG2 VAL 29 -5.835 0.700 -7.548 236 3HG2 VAL 29 2HG2 VAL 29 -4.803 1.334 -6.266 237 H GLY 30 HN GLY 30 -3.743 -2.137 -7.782 238 1HA GLY 30 1HA GLY 30 -1.428 -2.530 -7.683 239 2HA GLY 30 2HA GLY 30 -1.842 -3.701 -6.431 240 H LYS 31 HN LYS 31 -2.558 -0.279 -6.089 241 HA LYS 31 HA LYS 31 -0.162 0.453 -4.651 242 1HB LYS 31 2HB LYS 31 -1.759 1.989 -5.816 243 2HB LYS 31 1HB LYS 31 -2.962 1.626 -4.578 244 1HG LYS 31 2HG LYS 31 -1.356 2.453 -2.845 245 2HG LYS 31 1HG LYS 31 -0.253 2.921 -4.139 246 1HD LYS 31 2HD LYS 31 -2.098 4.346 -5.094 247 2HD LYS 31 1HD LYS 31 -3.050 3.985 -3.654 248 1HE LYS 31 2HE LYS 31 -1.908 5.528 -2.439 249 2HE LYS 31 1HE LYS 31 -0.350 4.861 -2.959 250 1HZ LYS 31 2HZ LYS 31 -0.985 5.913 -5.214 251 2HZ LYS 31 1HZ LYS 31 -2.053 6.867 -4.300 252 3HZ LYS 31 3HZ LYS 31 -0.387 6.927 -3.988 253 H LEU 32 HN LEU 32 -3.090 -1.207 -3.756 254 HA LEU 32 HA LEU 32 -3.804 -2.093 -1.687 255 1HB LEU 32 2HB LEU 32 -0.861 -1.632 -1.101 256 2HB LEU 32 1HB LEU 32 -1.927 -2.712 -0.203 257 HG LEU 32 HG LEU 32 -1.189 -2.951 -3.136 258 1HD1 LEU 32 2HD1 LEU 32 0.472 -3.631 -1.265 259 2HD1 LEU 32 1HD1 LEU 32 -0.661 -4.940 -0.930 260 3HD1 LEU 32 3HD1 LEU 32 0.109 -4.825 -2.512 261 1HD2 LEU 32 1HD2 LEU 32 -3.398 -4.031 -1.546 262 2HD2 LEU 32 3HD2 LEU 32 -3.175 -4.027 -3.296 263 3HD2 LEU 32 2HD2 LEU 32 -2.435 -5.292 -2.315 264 H ARG 33 HN ARG 33 -2.762 -1.418 0.923 265 HA ARG 33 HA ARG 33 -3.606 1.456 1.109 266 1HB ARG 33 2HB ARG 33 -4.120 -0.975 2.845 267 2HB ARG 33 1HB ARG 33 -4.466 0.668 3.386 268 1HG ARG 33 2HG ARG 33 -5.919 0.987 1.388 269 2HG ARG 33 1HG ARG 33 -5.617 -0.688 0.928 270 1HD ARG 33 2HD ARG 33 -6.568 -1.414 3.139 271 2HD ARG 33 1HD ARG 33 -6.992 0.278 3.461 272 HE ARG 33 HE ARG 33 -8.552 -1.415 1.845 273 1HH1 ARG 33 1HH1 ARG 33 -7.616 1.813 2.200 274 2HH1 ARG 33 2HH1 ARG 33 -8.336 2.358 0.721 275 1HH2 ARG 33 1HH2 ARG 33 -9.161 -0.833 -0.361 276 2HH2 ARG 33 2HH2 ARG 33 -9.210 0.860 -0.729 277 H ASN 34 HN ASN 34 -2.136 2.799 2.096 278 HA ASN 34 HA ASN 34 -0.109 1.619 3.945 279 1HB ASN 34 2HB ASN 34 0.663 1.778 1.508 280 2HB ASN 34 1HB ASN 34 0.570 3.529 1.693 281 1HD2 ASN 34 1HD2 ASN 34 3.021 3.361 1.306 282 2HD2 ASN 34 2HD2 ASN 34 4.012 3.043 2.647 283 H PHE 35 HN PHE 35 -0.569 2.777 5.798 284 HA PHE 35 HA PHE 35 -0.843 5.756 5.535 285 1HB PHE 35 2HB PHE 35 -2.950 4.549 6.087 286 2HB PHE 35 1HB PHE 35 -2.163 3.858 7.505 287 HD1 PHE 35 HD1 PHE 35 -3.374 6.992 5.944 288 HD2 PHE 35 HD2 PHE 35 -1.757 5.175 9.485 289 HE1 PHE 35 HE1 PHE 35 -3.925 9.032 7.242 290 HE2 PHE 35 HE2 PHE 35 -2.308 7.215 10.783 291 HZ PHE 35 HZ PHE 35 -3.391 9.144 9.662 292 H ALA 36 HN ALA 36 -0.137 6.917 7.550 293 HA ALA 36 HA ALA 36 2.471 6.177 8.404 294 1HB ALA 36 3HB ALA 36 0.965 7.818 10.293 295 2HB ALA 36 2HB ALA 36 2.333 8.266 9.274 296 3HB ALA 36 1HB ALA 36 0.693 8.319 8.624 297 HA PRO 37 HA PRO 37 1.241 2.959 11.274 298 1HB PRO 37 2HB PRO 37 3.987 2.810 12.119 299 2HB PRO 37 1HB PRO 37 3.120 1.709 11.044 300 1HG PRO 37 2HG PRO 37 5.187 3.536 10.336 301 2HG PRO 37 1HG PRO 37 4.224 2.537 9.243 302 1HD PRO 37 2HD PRO 37 4.068 5.424 9.698 303 2HD PRO 37 1HD PRO 37 3.272 4.450 8.438 304 H ILE 38 HN ILE 38 0.145 4.515 12.699 305 HA ILE 38 HA ILE 38 1.871 5.464 14.964 306 HB ILE 38 HB ILE 38 -0.178 7.131 15.143 307 1HG1 ILE 38 2HG1 ILE 38 -1.222 7.631 13.021 308 2HG1 ILE 38 1HG1 ILE 38 -0.211 6.450 12.193 309 1HG2 ILE 38 2HG2 ILE 38 1.981 7.284 13.020 310 2HG2 ILE 38 1HG2 ILE 38 1.020 8.659 13.566 311 3HG2 ILE 38 3HG2 ILE 38 2.105 7.840 14.689 312 1HD1 ILE 38 3HD1 ILE 38 -1.250 4.640 13.543 313 2HD1 ILE 38 2HD1 ILE 38 -2.289 5.837 14.316 314 3HD1 ILE 38 1HD1 ILE 38 -2.446 5.517 12.589 315 HA PRO 39 HA PRO 39 -1.272 2.260 16.369 316 1HB PRO 39 2HB PRO 39 0.823 1.298 18.090 317 2HB PRO 39 1HB PRO 39 0.087 0.479 16.709 318 1HG PRO 39 2HG PRO 39 2.716 1.637 16.891 319 2HG PRO 39 1HG PRO 39 1.992 0.790 15.522 320 1HD PRO 39 2HD PRO 39 2.539 3.607 15.753 321 2HD PRO 39 1HD PRO 39 1.762 2.757 14.397 322 H GLY 40 HN GLY 40 -2.395 2.460 18.351 323 1HA GLY 40 1HA GLY 40 -1.769 4.805 19.965 324 2HA GLY 40 2HA GLY 40 -1.525 3.292 20.834 325 H GLU 41 HN GLU 41 -3.672 1.847 19.568 326 HA GLU 41 HA GLU 41 -6.032 3.326 20.690 327 1HB GLU 41 2HB GLU 41 -5.671 1.573 18.254 328 2HB GLU 41 1HB GLU 41 -7.268 1.907 18.924 329 1HG GLU 41 2HG GLU 41 -5.794 4.369 18.733 330 2HG GLU 41 1HG GLU 41 -5.747 3.547 17.173 331 HA PRO 42 HA PRO 42 -5.216 -0.682 22.985 332 1HB PRO 42 2HB PRO 42 -6.027 0.765 25.336 333 2HB PRO 42 1HB PRO 42 -4.425 0.133 24.946 334 1HG PRO 42 2HG PRO 42 -5.282 2.875 24.975 335 2HG PRO 42 1HG PRO 42 -3.681 2.243 24.582 336 1HD PRO 42 2HD PRO 42 -5.632 3.378 22.779 337 2HD PRO 42 1HD PRO 42 -4.017 2.745 22.383 338 H VAL 43 HN VAL 43 -7.288 -1.036 21.622 339 HA VAL 43 HA VAL 43 -9.720 -0.756 23.360 340 HB VAL 43 HB VAL 43 -9.368 -0.748 20.347 341 1HG1 VAL 43 3HG1 VAL 43 -11.883 -0.534 22.029 342 2HG1 VAL 43 2HG1 VAL 43 -11.803 -0.336 20.279 343 3HG1 VAL 43 1HG1 VAL 43 -11.444 -1.901 21.005 344 1HG2 VAL 43 2HG2 VAL 43 -9.757 1.327 22.453 345 2HG2 VAL 43 1HG2 VAL 43 -8.862 1.419 20.936 346 3HG2 VAL 43 3HG2 VAL 43 -10.620 1.555 20.932 347 H VAL 44 HN VAL 44 -10.579 -2.690 23.992 348 HA VAL 44 HA VAL 44 -11.073 -4.957 22.430 349 HB VAL 44 HB VAL 44 -8.260 -4.595 23.211 350 1HG1 VAL 44 3HG1 VAL 44 -9.602 -7.280 23.670 351 2HG1 VAL 44 2HG1 VAL 44 -7.863 -6.988 23.693 352 3HG1 VAL 44 1HG1 VAL 44 -8.894 -6.261 24.923 353 1HG2 VAL 44 2HG2 VAL 44 -9.815 -5.445 20.999 354 2HG2 VAL 44 1HG2 VAL 44 -8.061 -5.279 21.075 355 3HG2 VAL 44 3HG2 VAL 44 -8.819 -6.821 21.469 356 HA PRO 45 HA PRO 45 -10.816 -6.303 27.102 357 1HB PRO 45 2HB PRO 45 -10.273 -3.904 28.597 358 2HB PRO 45 1HB PRO 45 -9.301 -5.374 28.507 359 1HG PRO 45 2HG PRO 45 -8.735 -2.810 27.343 360 2HG PRO 45 1HG PRO 45 -7.762 -4.280 27.254 361 1HD PRO 45 2HD PRO 45 -9.301 -3.047 25.152 362 2HD PRO 45 1HD PRO 45 -8.328 -4.533 25.061 363 H ILE 46 HN ILE 46 -11.742 -2.904 26.471 364 HA ILE 46 HA ILE 46 -14.023 -2.782 28.166 365 HB ILE 46 HB ILE 46 -13.484 -1.486 25.470 366 1HG1 ILE 46 2HG1 ILE 46 -12.859 -0.519 28.278 367 2HG1 ILE 46 1HG1 ILE 46 -11.671 -1.181 27.156 368 1HG2 ILE 46 3HG2 ILE 46 -15.798 -1.416 27.022 369 2HG2 ILE 46 2HG2 ILE 46 -14.939 0.054 27.482 370 3HG2 ILE 46 1HG2 ILE 46 -15.343 -0.240 25.789 371 1HD1 ILE 46 1HD1 ILE 46 -12.533 0.639 25.512 372 2HD1 ILE 46 3HD1 ILE 46 -13.226 1.394 26.947 373 3HD1 ILE 46 2HD1 ILE 46 -11.483 1.148 26.835 374 H LEU 47 HN LEU 47 -14.096 -3.181 24.605 375 HA LEU 47 HA LEU 47 -15.590 -5.523 24.366 376 1HB LEU 47 2HB LEU 47 -17.047 -3.317 25.591 377 2HB LEU 47 1HB LEU 47 -17.856 -3.886 24.131 378 HG LEU 47 HG LEU 47 -16.843 -5.839 26.193 379 1HD1 LEU 47 1HD1 LEU 47 -18.863 -3.864 26.619 380 2HD1 LEU 47 3HD1 LEU 47 -19.662 -5.428 26.456 381 3HD1 LEU 47 2HD1 LEU 47 -18.410 -5.200 27.677 382 1HD2 LEU 47 3HD2 LEU 47 -17.601 -6.511 23.853 383 2HD2 LEU 47 2HD2 LEU 47 -18.436 -7.315 25.182 384 3HD2 LEU 47 1HD2 LEU 47 -19.219 -5.988 24.324 385 H CYS 48 HN CYS 48 -13.977 -4.857 22.532 386 HA CYS 48 HA CYS 48 -13.576 -3.941 20.361 387 1HB CYS 48 2HB CYS 48 -16.378 -5.103 20.249 388 2HB CYS 48 1HB CYS 48 -15.317 -4.869 18.859 389 H SER 49 HN SER 49 -13.537 -1.652 20.599 390 HA SER 49 HA SER 49 -15.666 0.100 21.086 391 1HB SER 49 2HB SER 49 -13.190 0.322 19.363 392 2HB SER 49 1HB SER 49 -14.220 1.705 19.733 393 HG SER 49 HG SER 49 -13.913 0.890 22.017 394 H ASN 50 HN ASN 50 -14.396 -0.574 17.801 395 HA ASN 50 HA ASN 50 -16.821 0.485 16.570 396 1HB ASN 50 2HB ASN 50 -14.120 -0.398 15.849 397 2HB ASN 50 1HB ASN 50 -15.327 -0.825 14.637 398 1HD2 ASN 50 1HD2 ASN 50 -13.245 1.251 14.340 399 2HD2 ASN 50 2HD2 ASN 50 -14.059 2.724 14.121 400 HA PRO 51 HA PRO 51 -18.859 -3.520 16.975 401 1HB PRO 51 2HB PRO 51 -21.053 -2.372 15.511 402 2HB PRO 51 1HB PRO 51 -20.958 -2.706 17.242 403 1HG PRO 51 2HG PRO 51 -20.926 -0.152 15.948 404 2HG PRO 51 1HG PRO 51 -20.781 -0.489 17.674 405 1HD PRO 51 2HD PRO 51 -18.715 0.402 15.844 406 2HD PRO 51 1HD PRO 51 -18.592 0.138 17.598 407 H ASN 52 HN ASN 52 -17.546 -1.966 14.324 408 HA ASN 52 HA ASN 52 -18.302 -4.228 12.516 409 1HB ASN 52 2HB ASN 52 -18.094 -1.265 11.891 410 2HB ASN 52 1HB ASN 52 -18.390 -2.526 10.694 411 1HD2 ASN 52 1HD2 ASN 52 -20.220 -4.174 12.053 412 2HD2 ASN 52 2HD2 ASN 52 -21.639 -3.302 12.379 413 H PHE 53 HN PHE 53 -15.858 -3.751 14.187 414 HA PHE 53 HA PHE 53 -13.731 -2.918 12.354 415 1HB PHE 53 2HB PHE 53 -12.333 -3.310 14.226 416 2HB PHE 53 1HB PHE 53 -13.871 -2.868 14.964 417 HD1 PHE 53 HD1 PHE 53 -15.479 -4.768 15.630 418 HD2 PHE 53 HD2 PHE 53 -11.331 -5.403 14.702 419 HE1 PHE 53 HE1 PHE 53 -15.543 -6.940 16.819 420 HE2 PHE 53 HE2 PHE 53 -11.396 -7.580 15.896 421 HZ PHE 53 HZ PHE 53 -13.505 -8.342 16.953 422 HA PRO 54 HA PRO 54 -12.535 -6.693 10.441 423 1HB PRO 54 2HB PRO 54 -10.263 -7.420 12.065 424 2HB PRO 54 1HB PRO 54 -10.265 -6.706 10.455 425 1HG PRO 54 2HG PRO 54 -9.614 -5.451 12.967 426 2HG PRO 54 1HG PRO 54 -9.569 -4.741 11.351 427 1HD PRO 54 2HD PRO 54 -11.424 -4.163 13.441 428 2HD PRO 54 1HD PRO 54 -11.466 -3.548 11.775 429 H GLU 55 HN GLU 55 -14.560 -7.479 11.602 430 HA GLU 55 HA GLU 55 -14.755 -8.851 13.996 431 1HB GLU 55 2HB GLU 55 -16.548 -8.428 12.326 432 2HB GLU 55 1HB GLU 55 -15.871 -9.702 11.305 433 1HG GLU 55 2HG GLU 55 -16.185 -11.320 13.183 434 2HG GLU 55 1HG GLU 55 -16.962 -10.041 14.118 435 H GLU 56 HN GLU 56 -13.208 -9.989 11.010 436 HA GLU 56 HA GLU 56 -12.846 -12.726 11.647 437 1HB GLU 56 2HB GLU 56 -11.051 -10.708 10.253 438 2HB GLU 56 1HB GLU 56 -10.817 -12.453 10.174 439 1HG GLU 56 2HG GLU 56 -13.141 -12.667 9.256 440 2HG GLU 56 1HG GLU 56 -13.245 -10.907 9.217 441 H LEU 57 HN LEU 57 -11.577 -9.882 13.086 442 HA LEU 57 HA LEU 57 -9.386 -11.314 14.504 443 1HB LEU 57 2HB LEU 57 -10.261 -8.432 14.173 444 2HB LEU 57 1HB LEU 57 -8.971 -8.902 15.283 445 HG LEU 57 HG LEU 57 -7.822 -10.028 13.368 446 1HD1 LEU 57 1HD1 LEU 57 -10.300 -9.142 12.025 447 2HD1 LEU 57 3HD1 LEU 57 -8.815 -8.877 11.113 448 3HD1 LEU 57 2HD1 LEU 57 -9.241 -10.500 11.653 449 1HD2 LEU 57 1HD2 LEU 57 -8.443 -7.073 13.148 450 2HD2 LEU 57 3HD2 LEU 57 -7.075 -7.818 13.975 451 3HD2 LEU 57 2HD2 LEU 57 -7.173 -7.866 12.215 452 H LYS 58 HN LYS 58 -12.568 -11.142 14.847 453 HA LYS 58 HA LYS 58 -13.347 -10.095 17.279 454 1HB LYS 58 2HB LYS 58 -14.968 -11.212 15.998 455 2HB LYS 58 1HB LYS 58 -13.967 -12.649 15.812 456 1HG LYS 58 2HG LYS 58 -15.891 -12.930 17.424 457 2HG LYS 58 1HG LYS 58 -14.308 -13.265 18.127 458 1HD LYS 58 2HD LYS 58 -14.748 -11.722 19.710 459 2HD LYS 58 1HD LYS 58 -14.733 -10.489 18.449 460 1HE LYS 58 2HE LYS 58 -17.237 -11.674 18.149 461 2HE LYS 58 1HE LYS 58 -17.012 -11.609 19.906 462 1HZ LYS 58 3HZ LYS 58 -16.432 -9.341 18.072 463 2HZ LYS 58 2HZ LYS 58 -17.899 -9.512 18.912 464 3HZ LYS 58 1HZ LYS 58 -16.445 -9.306 19.767 465 HA PRO 59 HA PRO 59 -11.592 -14.128 19.452 466 1HB PRO 59 2HB PRO 59 -9.236 -14.757 17.917 467 2HB PRO 59 1HB PRO 59 -10.639 -15.782 18.228 468 1HG PRO 59 2HG PRO 59 -9.916 -14.407 15.779 469 2HG PRO 59 1HG PRO 59 -11.229 -15.556 16.049 470 1HD PRO 59 2HD PRO 59 -11.488 -12.767 15.602 471 2HD PRO 59 1HD PRO 59 -12.774 -13.873 16.131 472 H LEU 60 HN LEU 60 -9.367 -11.986 17.603 473 HA LEU 60 HA LEU 60 -7.356 -11.685 19.566 474 1HB LEU 60 2HB LEU 60 -8.529 -9.972 17.382 475 2HB LEU 60 1HB LEU 60 -7.256 -9.325 18.415 476 HG LEU 60 HG LEU 60 -5.795 -11.210 17.817 477 1HD1 LEU 60 3HD1 LEU 60 -8.171 -12.052 16.131 478 2HD1 LEU 60 2HD1 LEU 60 -6.556 -12.742 15.972 479 3HD1 LEU 60 1HD1 LEU 60 -7.457 -12.946 17.474 480 1HD2 LEU 60 1HD2 LEU 60 -6.342 -9.060 16.278 481 2HD2 LEU 60 3HD2 LEU 60 -5.153 -10.278 15.818 482 3HD2 LEU 60 2HD2 LEU 60 -6.782 -10.340 15.148 483 H CYS 61 HN CYS 61 -10.460 -9.989 19.159 484 HA CYS 61 HA CYS 61 -10.124 -8.091 21.280 485 1HB CYS 61 2HB CYS 61 -11.804 -8.074 19.407 486 2HB CYS 61 1HB CYS 61 -12.652 -9.391 20.215 487 H LYS 62 HN LYS 62 -11.017 -11.487 21.253 488 HA LYS 62 HA LYS 62 -12.046 -11.428 24.017 489 1HB LYS 62 2HB LYS 62 -11.522 -13.613 21.978 490 2HB LYS 62 1HB LYS 62 -12.294 -13.884 23.541 491 1HG LYS 62 2HG LYS 62 -14.041 -12.208 22.921 492 2HG LYS 62 1HG LYS 62 -13.298 -12.068 21.328 493 1HD LYS 62 2HD LYS 62 -13.647 -14.518 20.994 494 2HD LYS 62 1HD LYS 62 -14.482 -14.581 22.546 495 1HE LYS 62 2HE LYS 62 -15.704 -12.455 21.169 496 2HE LYS 62 1HE LYS 62 -15.512 -13.739 19.961 497 1HZ LYS 62 1HZ LYS 62 -16.611 -14.100 22.705 498 2HZ LYS 62 3HZ LYS 62 -17.540 -14.038 21.287 499 3HZ LYS 62 2HZ LYS 62 -16.447 -15.316 21.530 500 H GLU 63 HN GLU 63 -8.969 -11.522 22.627 501 HA GLU 63 HA GLU 63 -7.871 -13.108 24.924 502 1HB GLU 63 2HB GLU 63 -5.906 -13.382 23.392 503 2HB GLU 63 1HB GLU 63 -7.399 -14.031 22.716 504 1HG GLU 63 2HG GLU 63 -7.708 -12.067 21.341 505 2HG GLU 63 1HG GLU 63 -6.363 -11.243 22.133 506 HA PRO 64 HA PRO 64 -6.109 -9.435 26.583 507 1HB PRO 64 2HB PRO 64 -3.767 -10.841 27.486 508 2HB PRO 64 1HB PRO 64 -5.186 -10.374 28.426 509 1HG PRO 64 2HG PRO 64 -4.421 -13.008 27.608 510 2HG PRO 64 1HG PRO 64 -5.871 -12.533 28.498 511 1HD PRO 64 2HD PRO 64 -5.662 -13.402 25.735 512 2HD PRO 64 1HD PRO 64 -7.131 -13.013 26.660 513 H ASN 65 HN ASN 65 -4.433 -11.411 24.259 514 HA ASN 65 HA ASN 65 -2.118 -9.651 23.956 515 1HB ASN 65 2HB ASN 65 -3.293 -11.874 22.257 516 2HB ASN 65 1HB ASN 65 -1.699 -11.160 22.016 517 1HD2 ASN 65 1HD2 ASN 65 -1.907 -13.924 22.611 518 2HD2 ASN 65 2HD2 ASN 65 -1.309 -14.203 24.175 519 H ALA 66 HN ALA 66 -5.372 -9.576 22.846 520 HA ALA 66 HA ALA 66 -5.302 -8.516 20.277 521 1HB ALA 66 3HB ALA 66 -7.078 -8.709 22.437 522 2HB ALA 66 1HB ALA 66 -7.476 -8.167 20.806 523 3HB ALA 66 2HB ALA 66 -7.040 -6.990 22.044 524 H GLN 67 HN GLN 67 -4.628 -6.804 23.333 525 HA GLN 67 HA GLN 67 -4.382 -4.167 22.328 526 1HB GLN 67 2HB GLN 67 -2.949 -5.667 24.542 527 2HB GLN 67 1HB GLN 67 -2.880 -3.915 24.346 528 1HG GLN 67 2HG GLN 67 -5.335 -3.792 24.548 529 2HG GLN 67 1HG GLN 67 -5.412 -5.545 24.727 530 1HE2 GLN 67 1HE2 GLN 67 -6.178 -3.423 26.725 531 2HE2 GLN 67 2HE2 GLN 67 -5.239 -3.744 28.103 532 H GLU 68 HN GLU 68 -1.969 -6.796 22.480 533 HA GLU 68 HA GLU 68 0.143 -5.139 21.304 534 1HB GLU 68 2HB GLU 68 -0.159 -8.111 21.852 535 2HB GLU 68 1HB GLU 68 1.344 -7.338 21.345 536 1HG GLU 68 2HG GLU 68 1.266 -5.889 23.351 537 2HG GLU 68 1HG GLU 68 -0.220 -6.689 23.862 538 H ILE 69 HN ILE 69 -2.174 -7.583 20.190 539 HA ILE 69 HA ILE 69 -1.047 -7.859 17.530 540 HB ILE 69 HB ILE 69 -3.809 -8.413 18.668 541 1HG1 ILE 69 2HG1 ILE 69 -1.429 -10.250 18.275 542 2HG1 ILE 69 1HG1 ILE 69 -1.932 -9.576 19.825 543 1HG2 ILE 69 1HG2 ILE 69 -2.565 -8.822 16.012 544 2HG2 ILE 69 3HG2 ILE 69 -3.410 -10.224 16.670 545 3HG2 ILE 69 2HG2 ILE 69 -4.269 -8.700 16.449 546 1HD1 ILE 69 1HD1 ILE 69 -4.217 -10.629 19.392 547 2HD1 ILE 69 3HD1 ILE 69 -3.461 -11.500 18.057 548 3HD1 ILE 69 2HD1 ILE 69 -2.903 -11.761 19.710 549 H LEU 70 HN LEU 70 -3.997 -6.204 18.734 550 HA LEU 70 HA LEU 70 -4.914 -4.974 16.431 551 1HB LEU 70 2HB LEU 70 -6.037 -4.766 18.547 552 2HB LEU 70 1HB LEU 70 -4.645 -3.972 19.277 553 HG LEU 70 HG LEU 70 -6.747 -2.577 18.397 554 1HD1 LEU 70 1HD1 LEU 70 -4.483 -1.840 19.416 555 2HD1 LEU 70 3HD1 LEU 70 -3.988 -1.548 17.748 556 3HD1 LEU 70 2HD1 LEU 70 -5.359 -0.670 18.428 557 1HD2 LEU 70 1HD2 LEU 70 -6.142 -3.638 16.040 558 2HD2 LEU 70 3HD2 LEU 70 -6.707 -1.971 16.162 559 3HD2 LEU 70 2HD2 LEU 70 -4.985 -2.308 15.994 560 H GLN 71 HN GLN 71 -2.593 -3.383 18.677 561 HA GLN 71 HA GLN 71 -1.933 -1.172 17.077 562 1HB GLN 71 2HB GLN 71 -0.236 -2.863 18.940 563 2HB GLN 71 1HB GLN 71 0.221 -1.256 18.374 564 1HG GLN 71 2HG GLN 71 -1.824 -0.315 19.381 565 2HG GLN 71 1HG GLN 71 -2.292 -1.921 19.940 566 1HE2 GLN 71 1HE2 GLN 71 -1.889 0.138 21.842 567 2HE2 GLN 71 2HE2 GLN 71 -0.482 -0.193 22.732 568 H ARG 72 HN ARG 72 -0.203 -4.311 17.189 569 HA ARG 72 HA ARG 72 1.682 -3.818 15.144 570 1HB ARG 72 2HB ARG 72 0.220 -6.301 16.080 571 2HB ARG 72 1HB ARG 72 1.560 -6.363 14.937 572 1HG ARG 72 2HG ARG 72 3.023 -5.248 16.574 573 2HG ARG 72 1HG ARG 72 1.681 -5.149 17.716 574 1HD ARG 72 2HD ARG 72 2.900 -7.096 18.380 575 2HD ARG 72 1HD ARG 72 1.532 -7.733 17.449 576 HE ARG 72 HE ARG 72 3.487 -7.251 15.533 577 1HH1 ARG 72 1HH1 ARG 72 2.585 -9.629 17.719 578 2HH1 ARG 72 2HH1 ARG 72 4.047 -10.550 17.593 579 1HH2 ARG 72 1HH2 ARG 72 5.699 -8.166 15.692 580 2HH2 ARG 72 2HH2 ARG 72 5.809 -9.722 16.445 581 H LEU 73 HN LEU 73 -1.463 -5.517 14.803 582 HA LEU 73 HA LEU 73 -1.544 -5.876 12.044 583 1HB LEU 73 2HB LEU 73 -3.708 -5.035 13.996 584 2HB LEU 73 1HB LEU 73 -4.035 -5.658 12.380 585 HG LEU 73 HG LEU 73 -2.588 -7.110 14.615 586 1HD1 LEU 73 1HD1 LEU 73 -5.232 -7.603 13.211 587 2HD1 LEU 73 3HD1 LEU 73 -4.510 -8.674 14.412 588 3HD1 LEU 73 2HD1 LEU 73 -5.028 -7.052 14.874 589 1HD2 LEU 73 1HD2 LEU 73 -2.795 -7.578 11.682 590 2HD2 LEU 73 3HD2 LEU 73 -1.505 -8.017 12.800 591 3HD2 LEU 73 2HD2 LEU 73 -2.976 -8.988 12.727 592 H GLU 74 HN GLU 74 -2.691 -2.974 13.809 593 HA GLU 74 HA GLU 74 -3.441 -1.416 11.574 594 1HB GLU 74 2HB GLU 74 -2.197 -0.581 14.214 595 2HB GLU 74 1HB GLU 74 -3.149 0.461 13.156 596 1HG GLU 74 2HG GLU 74 -4.180 -2.117 14.369 597 2HG GLU 74 1HG GLU 74 -4.475 -0.520 15.053 598 H GLU 75 HN GLU 75 -0.230 -1.818 13.100 599 HA GLU 75 HA GLU 75 1.093 0.197 11.507 600 1HB GLU 75 2HB GLU 75 1.830 -0.739 13.710 601 2HB GLU 75 1HB GLU 75 2.176 -2.269 12.906 602 1HG GLU 75 2HG GLU 75 3.746 -1.051 11.379 603 2HG GLU 75 1HG GLU 75 3.473 0.411 12.327 604 H ILE 76 HN ILE 76 1.154 -3.390 11.319 605 HA ILE 76 HA ILE 76 2.613 -3.501 8.847 606 HB ILE 76 HB ILE 76 0.670 -5.420 10.174 607 1HG1 ILE 76 2HG1 ILE 76 3.692 -5.171 10.297 608 2HG1 ILE 76 1HG1 ILE 76 2.569 -4.787 11.602 609 1HG2 ILE 76 1HG2 ILE 76 2.700 -5.784 7.955 610 2HG2 ILE 76 3HG2 ILE 76 2.022 -7.131 8.868 611 3HG2 ILE 76 2HG2 ILE 76 0.968 -6.112 7.890 612 1HD1 ILE 76 3HD1 ILE 76 1.741 -7.269 11.175 613 2HD1 ILE 76 2HD1 ILE 76 3.360 -7.459 10.501 614 3HD1 ILE 76 1HD1 ILE 76 3.157 -6.959 12.179 615 H ALA 77 HN ALA 77 -0.809 -3.198 9.623 616 HA ALA 77 HA ALA 77 -1.857 -3.800 7.009 617 1HB ALA 77 1HB ALA 77 -3.155 -3.779 9.114 618 2HB ALA 77 3HB ALA 77 -2.890 -2.042 9.259 619 3HB ALA 77 2HB ALA 77 -3.865 -2.678 7.934 620 H GLU 78 HN GLU 78 -0.654 -0.861 8.554 621 HA GLU 78 HA GLU 78 -1.314 0.776 6.167 622 1HB GLU 78 2HB GLU 78 -0.035 1.406 8.844 623 2HB GLU 78 1HB GLU 78 -0.542 2.604 7.655 624 1HG GLU 78 2HG GLU 78 -2.871 1.794 7.833 625 2HG GLU 78 1HG GLU 78 -2.361 0.601 9.028 626 H ASP 79 HN ASP 79 0.928 -1.408 6.555 627 HA ASP 79 HA ASP 79 2.894 -0.097 4.863 628 1HB ASP 79 2HB ASP 79 3.147 0.646 7.401 629 2HB ASP 79 1HB ASP 79 3.968 -0.910 7.540 630 HA PRO 80 HA PRO 80 3.162 -4.451 3.929 631 1HB PRO 80 2HB PRO 80 5.498 -3.897 2.344 632 2HB PRO 80 1HB PRO 80 3.852 -4.201 1.785 633 1HG PRO 80 2HG PRO 80 5.284 -1.713 1.779 634 2HG PRO 80 1HG PRO 80 3.634 -2.013 1.230 635 1HD PRO 80 2HD PRO 80 4.486 -0.598 3.601 636 2HD PRO 80 1HD PRO 80 2.824 -0.889 3.039 637 H GLY 81 HN GLY 81 6.492 -3.167 3.835 638 1HA GLY 81 1HA GLY 81 7.191 -4.384 6.398 639 2HA GLY 81 2HA GLY 81 8.311 -3.600 5.283 640 H THR 82 HN THR 82 8.297 -6.333 6.690 641 HA THR 82 HA THR 82 9.397 -7.836 4.433 642 HB THR 82 HB THR 82 9.918 -9.456 6.219 643 HG1 THR 82 1HG THR 82 8.755 -7.822 8.138 644 1HG2 THR 82 2HG2 THR 82 10.365 -6.527 6.745 645 2HG2 THR 82 1HG2 THR 82 11.001 -7.743 7.853 646 3HG2 THR 82 3HG2 THR 82 11.513 -7.734 6.165 647 H CYS 83 HN CYS 83 6.367 -7.668 6.136 648 HA CYS 83 HA CYS 83 5.264 -10.230 5.719 649 1HB CYS 83 2HB CYS 83 4.359 -8.133 6.917 650 2HB CYS 83 1HB CYS 83 3.781 -7.621 5.331 651 H GLU 84 HN GLU 84 5.064 -7.398 3.530 652 HA GLU 84 HA GLU 84 3.709 -8.666 1.392 653 1HB GLU 84 2HB GLU 84 4.111 -6.232 1.722 654 2HB GLU 84 1HB GLU 84 5.811 -6.481 1.326 655 1HG GLU 84 2HG GLU 84 5.110 -7.409 -0.889 656 2HG GLU 84 1HG GLU 84 3.441 -7.005 -0.491 657 H ILE 85 HN ILE 85 7.173 -8.671 2.209 658 HA ILE 85 HA ILE 85 7.783 -10.112 -0.319 659 HB ILE 85 HB ILE 85 10.084 -9.629 0.282 660 1HG1 ILE 85 2HG1 ILE 85 8.897 -8.905 2.970 661 2HG1 ILE 85 1HG1 ILE 85 10.087 -10.160 2.628 662 1HG2 ILE 85 1HG2 ILE 85 8.139 -7.698 -0.137 663 2HG2 ILE 85 3HG2 ILE 85 8.995 -7.097 1.284 664 3HG2 ILE 85 2HG2 ILE 85 9.880 -7.426 -0.205 665 1HD1 ILE 85 1HD1 ILE 85 11.345 -7.973 1.597 666 2HD1 ILE 85 3HD1 ILE 85 10.450 -7.238 2.926 667 3HD1 ILE 85 2HD1 ILE 85 11.583 -8.550 3.246 668 H CYS 86 HN CYS 86 6.463 -11.101 2.428 669 HA CYS 86 HA CYS 86 6.411 -13.169 3.568 670 1HB CYS 86 2HB CYS 86 7.350 -13.564 0.843 671 2HB CYS 86 1HB CYS 86 8.012 -14.787 1.927 672 H ALA 87 HN ALA 87 8.959 -11.240 3.578 673 HA ALA 87 HA ALA 87 11.200 -12.917 4.268 674 1HB ALA 87 3HB ALA 87 11.745 -10.588 5.482 675 2HB ALA 87 1HB ALA 87 10.377 -10.052 4.506 676 3HB ALA 87 2HB ALA 87 11.798 -10.746 3.725 677 H TYR 88 HN TYR 88 8.313 -12.102 5.941 678 HA TYR 88 HA TYR 88 9.433 -13.285 8.451 679 1HB TYR 88 2HB TYR 88 8.199 -10.625 7.928 680 2HB TYR 88 1HB TYR 88 7.719 -11.434 9.420 681 HD1 TYR 88 HD1 TYR 88 10.788 -10.617 7.423 682 HD2 TYR 88 HD2 TYR 88 9.072 -11.230 11.312 683 HE1 TYR 88 HE1 TYR 88 12.935 -9.958 8.474 684 HE2 TYR 88 HE2 TYR 88 11.218 -10.571 12.363 685 HH TYR 88 HH TYR 88 13.349 -8.925 11.310 686 H ALA 89 HN ALA 89 7.629 -14.026 9.914 687 HA ALA 89 HA ALA 89 5.649 -15.546 8.433 688 1HB ALA 89 2HB ALA 89 6.803 -15.367 11.064 689 2HB ALA 89 1HB ALA 89 5.047 -15.431 11.208 690 3HB ALA 89 3HB ALA 89 5.909 -16.709 10.350 691 H ALA 90 HN ALA 90 5.707 -12.316 9.077 692 HA ALA 90 HA ALA 90 3.149 -11.729 10.207 693 1HB ALA 90 3HB ALA 90 4.795 -10.201 8.164 694 2HB ALA 90 2HB ALA 90 3.580 -9.512 9.242 695 3HB ALA 90 1HB ALA 90 5.075 -10.172 9.906 696 H CYS 91 HN CYS 91 4.178 -12.247 6.831 697 HA CYS 91 HA CYS 91 1.338 -11.993 5.949 698 1HB CYS 91 2HB CYS 91 4.023 -11.530 4.846 699 2HB CYS 91 1HB CYS 91 2.909 -12.295 3.715 700 H THR 92 HN THR 92 0.247 -13.899 5.798 701 HA THR 92 HA THR 92 1.802 -16.392 5.204 702 HB THR 92 HB THR 92 -0.960 -16.128 6.397 703 HG1 THR 92 1HG THR 92 1.358 -15.301 7.421 704 1HG2 THR 92 3HG2 THR 92 0.849 -18.293 5.756 705 2HG2 THR 92 2HG2 THR 92 0.501 -18.273 7.485 706 3HG2 THR 92 1HG2 THR 92 -0.819 -18.373 6.320 707 H GLY 93 HN GLY 93 0.061 -14.165 3.600 708 1HA GLY 93 1HA GLY 93 -1.360 -14.190 1.711 709 2HA GLY 93 2HA GLY 93 -1.854 -15.821 2.170 710 H CYS 94 HN CYS 94 1.230 -14.292 1.168 711 HA CYS 94 HA CYS 94 1.577 -15.373 -1.355 712 1HB CYS 94 2HB CYS 94 4.046 -15.360 -0.684 713 2HB CYS 94 1HB CYS 94 3.169 -13.861 -0.390 No H/Q in entry = 713 Start of MODEL 24 1 H1 VAL 1 2H VAL 1 -3.258 -12.866 0.294 2 H2 VAL 1 1H VAL 1 -3.023 -11.516 -0.710 3 H3 VAL 1 3H VAL 1 -2.123 -12.931 -0.967 4 HA VAL 1 HA VAL 1 -0.851 -12.622 0.986 5 HB VAL 1 HB VAL 1 -1.270 -9.869 -0.192 6 1HG1 VAL 1 1HG1 VAL 1 0.726 -11.153 1.414 7 2HG1 VAL 1 3HG1 VAL 1 1.435 -10.768 -0.154 8 3HG1 VAL 1 2HG1 VAL 1 0.703 -9.493 0.821 9 1HG2 VAL 1 1HG2 VAL 1 -0.365 -12.405 -1.513 10 2HG2 VAL 1 3HG2 VAL 1 -1.325 -11.082 -2.176 11 3HG2 VAL 1 2HG2 VAL 1 0.415 -10.889 -1.963 12 H THR 2 HN THR 2 -1.828 -12.747 3.039 13 HA THR 2 HA THR 2 -3.106 -10.220 4.038 14 HB THR 2 HB THR 2 -4.664 -12.140 3.623 15 HG1 THR 2 1HG THR 2 -5.529 -12.101 5.765 16 1HG2 THR 2 2HG2 THR 2 -2.674 -13.740 4.401 17 2HG2 THR 2 1HG2 THR 2 -3.484 -13.567 5.959 18 3HG2 THR 2 3HG2 THR 2 -4.364 -14.216 4.575 19 H VAL 3 HN VAL 3 -2.749 -9.784 6.296 20 HA VAL 3 HA VAL 3 -0.184 -10.901 7.326 21 HB VAL 3 HB VAL 3 -1.924 -8.516 8.025 22 1HG1 VAL 3 2HG1 VAL 3 -0.381 -9.854 9.845 23 2HG1 VAL 3 1HG1 VAL 3 0.791 -8.717 9.178 24 3HG1 VAL 3 3HG1 VAL 3 -0.700 -8.122 9.908 25 1HG2 VAL 3 1HG2 VAL 3 -0.268 -8.746 5.945 26 2HG2 VAL 3 3HG2 VAL 3 -0.375 -7.244 6.865 27 3HG2 VAL 3 2HG2 VAL 3 0.941 -8.376 7.175 28 H GLN 4 HN GLN 4 -0.310 -12.525 8.841 29 HA GLN 4 HA GLN 4 -2.766 -12.628 10.562 30 1HB GLN 4 2HB GLN 4 -2.801 -15.007 10.217 31 2HB GLN 4 1HB GLN 4 -2.601 -14.268 8.627 32 1HG GLN 4 2HG GLN 4 -0.222 -14.701 8.656 33 2HG GLN 4 1HG GLN 4 -0.293 -15.239 10.334 34 1HE2 GLN 4 1HE2 GLN 4 -2.786 -16.104 7.957 35 2HE2 GLN 4 2HE2 GLN 4 -2.396 -17.755 7.893 36 H ASP 5 HN ASP 5 -2.278 -14.383 12.362 37 HA ASP 5 HA ASP 5 0.481 -14.032 13.461 38 1HB ASP 5 2HB ASP 5 -2.189 -13.463 14.777 39 2HB ASP 5 1HB ASP 5 -0.679 -13.588 15.679 40 H GLY 6 HN GLY 6 -2.655 -15.500 14.323 41 1HA GLY 6 1HA GLY 6 -2.922 -17.584 15.517 42 2HA GLY 6 2HA GLY 6 -1.236 -17.969 15.162 43 H ASN 7 HN ASN 7 -3.846 -19.452 14.586 44 HA ASN 7 HA ASN 7 -3.107 -20.304 11.880 45 1HB ASN 7 2HB ASN 7 -4.742 -22.043 12.311 46 2HB ASN 7 1HB ASN 7 -3.823 -21.783 13.794 47 1HD2 ASN 7 1HD2 ASN 7 -5.287 -21.986 15.501 48 2HD2 ASN 7 2HD2 ASN 7 -6.818 -21.252 15.558 49 H PHE 8 HN PHE 8 -4.707 -17.636 12.804 50 HA PHE 8 HA PHE 8 -6.822 -17.863 10.690 51 1HB PHE 8 2HB PHE 8 -6.545 -16.007 13.077 52 2HB PHE 8 1HB PHE 8 -7.930 -16.078 11.986 53 HD1 PHE 8 HD1 PHE 8 -9.174 -18.314 11.765 54 HD2 PHE 8 HD2 PHE 8 -6.391 -17.467 14.925 55 HE1 PHE 8 HE1 PHE 8 -10.142 -20.158 13.111 56 HE2 PHE 8 HE2 PHE 8 -7.358 -19.312 16.271 57 HZ PHE 8 HZ PHE 8 -9.233 -20.658 15.364 58 H SER 9 HN SER 9 -6.770 -16.395 8.991 59 HA SER 9 HA SER 9 -4.417 -14.565 8.863 60 1HB SER 9 2HB SER 9 -6.344 -15.601 6.760 61 2HB SER 9 1HB SER 9 -4.888 -14.662 6.437 62 HG SER 9 HG SER 9 -4.943 -17.154 7.785 63 H PHE 10 HN PHE 10 -4.701 -12.344 8.674 64 HA PHE 10 HA PHE 10 -7.526 -11.335 8.551 65 1HB PHE 10 2HB PHE 10 -5.129 -10.281 10.090 66 2HB PHE 10 1HB PHE 10 -6.749 -9.586 10.118 67 HD1 PHE 10 HD1 PHE 10 -8.267 -12.257 10.021 68 HD2 PHE 10 HD2 PHE 10 -4.976 -10.884 12.417 69 HE1 PHE 10 HE1 PHE 10 -8.912 -13.843 11.817 70 HE2 PHE 10 HE2 PHE 10 -5.621 -12.470 14.211 71 HZ PHE 10 HZ PHE 10 -7.588 -13.950 13.911 72 H SER 11 HN SER 11 -7.889 -9.775 6.991 73 HA SER 11 HA SER 11 -5.788 -9.107 5.090 74 1HB SER 11 2HB SER 11 -7.591 -8.010 3.939 75 2HB SER 11 1HB SER 11 -8.291 -9.443 4.695 76 HG SER 11 HG SER 11 -9.634 -7.886 5.323 77 H LEU 12 HN LEU 12 -5.460 -6.695 4.505 78 HA LEU 12 HA LEU 12 -4.956 -5.174 7.029 79 1HB LEU 12 2HB LEU 12 -3.843 -4.957 4.213 80 2HB LEU 12 1HB LEU 12 -3.320 -3.975 5.581 81 HG LEU 12 HG LEU 12 -3.314 -6.945 5.909 82 1HD1 LEU 12 3HD1 LEU 12 -1.856 -5.543 3.830 83 2HD1 LEU 12 2HD1 LEU 12 -0.744 -6.254 5.001 84 3HD1 LEU 12 1HD1 LEU 12 -1.919 -7.272 4.168 85 1HD2 LEU 12 2HD2 LEU 12 -2.519 -4.756 7.416 86 2HD2 LEU 12 1HD2 LEU 12 -2.017 -6.424 7.691 87 3HD2 LEU 12 3HD2 LEU 12 -1.003 -5.344 6.734 88 H GLU 13 HN GLU 13 -7.207 -5.301 4.559 89 HA GLU 13 HA GLU 13 -7.572 -2.557 3.835 90 1HB GLU 13 2HB GLU 13 -9.630 -4.771 4.114 91 2HB GLU 13 1HB GLU 13 -9.748 -3.354 3.072 92 1HG GLU 13 2HG GLU 13 -7.764 -4.124 1.814 93 2HG GLU 13 1HG GLU 13 -7.668 -5.551 2.845 94 H SER 14 HN SER 14 -9.816 -4.397 5.912 95 HA SER 14 HA SER 14 -11.039 -2.160 7.121 96 1HB SER 14 2HB SER 14 -12.223 -4.078 7.483 97 2HB SER 14 1HB SER 14 -10.772 -5.071 7.592 98 HG SER 14 HG SER 14 -12.056 -3.547 9.557 99 H VAL 15 HN VAL 15 -8.159 -4.001 8.211 100 HA VAL 15 HA VAL 15 -7.915 -2.741 10.766 101 HB VAL 15 HB VAL 15 -6.049 -4.093 8.817 102 1HG1 VAL 15 3HG1 VAL 15 -5.108 -2.173 10.547 103 2HG1 VAL 15 2HG1 VAL 15 -5.019 -3.625 11.543 104 3HG1 VAL 15 1HG1 VAL 15 -4.174 -3.563 9.997 105 1HG2 VAL 15 2HG2 VAL 15 -7.736 -4.816 11.076 106 2HG2 VAL 15 1HG2 VAL 15 -6.934 -5.866 9.904 107 3HG2 VAL 15 3HG2 VAL 15 -6.066 -5.322 11.341 108 H LYS 16 HN LYS 16 -6.374 -1.916 7.622 109 HA LYS 16 HA LYS 16 -5.008 0.407 8.507 110 1HB LYS 16 2HB LYS 16 -6.246 -0.495 5.900 111 2HB LYS 16 1HB LYS 16 -5.378 1.037 6.015 112 1HG LYS 16 2HG LYS 16 -3.410 -0.196 6.934 113 2HG LYS 16 1HG LYS 16 -4.278 -1.710 6.686 114 1HD LYS 16 2HD LYS 16 -4.511 -1.010 4.237 115 2HD LYS 16 1HD LYS 16 -3.330 0.251 4.589 116 1HE LYS 16 2HE LYS 16 -1.653 -1.261 4.382 117 2HE LYS 16 1HE LYS 16 -2.376 -2.249 5.665 118 1HZ LYS 16 3HZ LYS 16 -4.013 -3.004 3.937 119 2HZ LYS 16 2HZ LYS 16 -3.027 -2.267 2.767 120 3HZ LYS 16 1HZ LYS 16 -2.426 -3.553 3.699 121 H LYS 17 HN LYS 17 -8.228 0.178 6.942 122 HA LYS 17 HA LYS 17 -8.908 2.941 7.660 123 1HB LYS 17 2HB LYS 17 -10.550 0.643 6.542 124 2HB LYS 17 1HB LYS 17 -11.019 2.343 6.533 125 1HG LYS 17 2HG LYS 17 -9.087 2.891 5.127 126 2HG LYS 17 1HG LYS 17 -8.555 1.211 5.177 127 1HD LYS 17 2HD LYS 17 -10.687 0.526 4.100 128 2HD LYS 17 1HD LYS 17 -11.166 2.221 4.010 129 1HE LYS 17 2HE LYS 17 -8.594 2.164 2.888 130 2HE LYS 17 1HE LYS 17 -9.408 0.729 2.237 131 1HZ LYS 17 1HZ LYS 17 -11.394 2.483 2.157 132 2HZ LYS 17 3HZ LYS 17 -10.094 3.553 1.949 133 3HZ LYS 17 2HZ LYS 17 -10.318 2.270 0.859 134 H LEU 18 HN LEU 18 -8.547 0.400 9.613 135 HA LEU 18 HA LEU 18 -11.120 0.250 10.960 136 1HB LEU 18 2HB LEU 18 -9.690 -1.636 11.108 137 2HB LEU 18 1HB LEU 18 -8.286 -0.643 11.494 138 HG LEU 18 HG LEU 18 -9.505 -0.007 13.653 139 1HD1 LEU 18 1HD1 LEU 18 -11.480 -1.695 12.374 140 2HD1 LEU 18 3HD1 LEU 18 -11.012 -2.374 13.933 141 3HD1 LEU 18 2HD1 LEU 18 -11.635 -0.727 13.841 142 1HD2 LEU 18 1HD2 LEU 18 -7.824 -2.128 13.002 143 2HD2 LEU 18 3HD2 LEU 18 -8.209 -1.585 14.635 144 3HD2 LEU 18 2HD2 LEU 18 -9.129 -2.901 13.904 145 H LYS 19 HN LYS 19 -8.634 2.574 10.907 146 HA LYS 19 HA LYS 19 -8.622 3.508 13.621 147 1HB LYS 19 2HB LYS 19 -6.967 4.140 11.918 148 2HB LYS 19 1HB LYS 19 -8.225 4.917 10.957 149 1HG LYS 19 2HG LYS 19 -8.668 6.448 12.904 150 2HG LYS 19 1HG LYS 19 -7.267 5.745 13.712 151 1HD LYS 19 2HD LYS 19 -5.848 6.423 11.779 152 2HD LYS 19 1HD LYS 19 -7.255 7.190 11.043 153 1HE LYS 19 2HE LYS 19 -7.359 8.870 12.702 154 2HE LYS 19 1HE LYS 19 -6.390 7.923 13.846 155 1HZ LYS 19 3HZ LYS 19 -5.251 8.585 11.219 156 2HZ LYS 19 2HZ LYS 19 -5.283 9.796 12.409 157 3HZ LYS 19 1HZ LYS 19 -4.461 8.339 12.699 158 H ASP 20 HN ASP 20 -10.781 4.058 10.887 159 HA ASP 20 HA ASP 20 -12.584 5.638 12.693 160 1HB ASP 20 2HB ASP 20 -11.403 6.974 10.932 161 2HB ASP 20 1HB ASP 20 -12.141 5.945 9.704 162 H LEU 21 HN LEU 21 -14.483 4.535 12.995 163 HA LEU 21 HA LEU 21 -15.256 2.455 10.992 164 1HB LEU 21 2HB LEU 21 -14.850 2.068 13.523 165 2HB LEU 21 1HB LEU 21 -16.398 2.881 13.755 166 HG LEU 21 HG LEU 21 -16.667 0.418 13.613 167 1HD1 LEU 21 2HD1 LEU 21 -18.223 2.308 12.470 168 2HD1 LEU 21 1HD1 LEU 21 -17.824 1.358 11.039 169 3HD1 LEU 21 3HD1 LEU 21 -18.617 0.590 12.416 170 1HD2 LEU 21 3HD2 LEU 21 -14.739 0.682 11.585 171 2HD2 LEU 21 2HD2 LEU 21 -15.575 -0.798 12.059 172 3HD2 LEU 21 1HD2 LEU 21 -16.219 0.199 10.754 173 H GLN 22 HN GLN 22 -16.743 3.206 9.525 174 HA GLN 22 HA GLN 22 -19.334 4.121 10.265 175 1HB GLN 22 2HB GLN 22 -17.375 6.031 10.698 176 2HB GLN 22 1HB GLN 22 -18.017 6.483 9.118 177 1HG GLN 22 2HG GLN 22 -20.321 6.403 10.069 178 2HG GLN 22 1HG GLN 22 -19.629 6.049 11.653 179 1HE2 GLN 22 1HE2 GLN 22 -19.342 7.886 12.922 180 2HE2 GLN 22 2HE2 GLN 22 -19.078 9.454 12.327 181 H GLU 23 HN GLU 23 -20.616 4.748 8.343 182 HA GLU 23 HA GLU 23 -21.208 4.463 6.072 183 1HB GLU 23 2HB GLU 23 -18.688 5.862 6.323 184 2HB GLU 23 1HB GLU 23 -18.711 4.924 4.830 185 1HG GLU 23 2HG GLU 23 -21.065 5.916 4.460 186 2HG GLU 23 1HG GLU 23 -20.642 7.067 5.727 187 HA PRO 24 HA PRO 24 -20.146 0.507 4.495 188 1HB PRO 24 2HB PRO 24 -19.195 1.300 1.898 189 2HB PRO 24 1HB PRO 24 -20.786 0.668 2.329 190 1HG PRO 24 2HG PRO 24 -20.095 3.357 1.588 191 2HG PRO 24 1HG PRO 24 -21.687 2.724 2.012 192 1HD PRO 24 2HD PRO 24 -20.013 4.485 3.567 193 2HD PRO 24 1HD PRO 24 -21.610 3.834 4.003 194 H GLN 25 HN GLN 25 -18.288 -0.879 3.790 195 HA GLN 25 HA GLN 25 -15.642 0.475 4.212 196 1HB GLN 25 2HB GLN 25 -15.007 -1.538 5.463 197 2HB GLN 25 1HB GLN 25 -16.492 -0.868 6.138 198 1HG GLN 25 2HG GLN 25 -17.807 -2.478 4.767 199 2HG GLN 25 1HG GLN 25 -16.298 -3.179 4.182 200 1HE2 GLN 25 1HE2 GLN 25 -15.128 -4.583 5.609 201 2HE2 GLN 25 2HE2 GLN 25 -15.713 -5.037 7.136 202 H GLU 26 HN GLU 26 -13.810 -0.752 3.220 203 HA GLU 26 HA GLU 26 -12.795 -1.882 1.410 204 1HB GLU 26 2HB GLU 26 -15.107 -3.368 2.274 205 2HB GLU 26 1HB GLU 26 -14.945 -3.512 0.524 206 1HG GLU 26 2HG GLU 26 -12.337 -3.786 1.378 207 2HG GLU 26 1HG GLU 26 -13.239 -4.598 2.659 208 HA PRO 27 HA PRO 27 -15.621 0.881 -1.282 209 1HB PRO 27 2HB PRO 27 -13.412 2.711 -1.484 210 2HB PRO 27 1HB PRO 27 -14.989 2.992 -0.743 211 1HG PRO 27 2HG PRO 27 -12.455 2.658 0.569 212 2HG PRO 27 1HG PRO 27 -14.031 2.947 1.309 213 1HD PRO 27 2HD PRO 27 -12.492 0.505 1.324 214 2HD PRO 27 1HD PRO 27 -14.085 0.799 2.059 215 H ARG 28 HN ARG 28 -15.239 1.102 -3.595 216 HA ARG 28 HA ARG 28 -13.203 -0.749 -4.638 217 1HB ARG 28 2HB ARG 28 -15.368 0.975 -5.882 218 2HB ARG 28 1HB ARG 28 -14.377 -0.165 -6.793 219 1HG ARG 28 2HG ARG 28 -15.161 -1.991 -5.279 220 2HG ARG 28 1HG ARG 28 -16.224 -0.833 -4.480 221 1HD ARG 28 2HD ARG 28 -16.324 -1.618 -7.416 222 2HD ARG 28 1HD ARG 28 -17.517 -2.038 -6.173 223 HE ARG 28 HE ARG 28 -17.701 0.550 -5.885 224 1HH1 ARG 28 1HH1 ARG 28 -18.057 -1.308 -8.660 225 2HH1 ARG 28 2HH1 ARG 28 -18.153 0.030 -9.755 226 1HH2 ARG 28 1HH2 ARG 28 -17.323 2.395 -7.359 227 2HH2 ARG 28 2HH2 ARG 28 -17.738 2.126 -9.018 228 H VAL 29 HN VAL 29 -11.302 0.588 -3.972 229 HA VAL 29 HA VAL 29 -10.871 2.935 -5.794 230 HB VAL 29 HB VAL 29 -9.642 2.338 -3.084 231 1HG1 VAL 29 1HG1 VAL 29 -8.905 4.124 -5.130 232 2HG1 VAL 29 3HG1 VAL 29 -9.745 5.110 -3.932 233 3HG1 VAL 29 2HG1 VAL 29 -8.347 4.146 -3.457 234 1HG2 VAL 29 2HG2 VAL 29 -12.228 3.489 -3.863 235 2HG2 VAL 29 1HG2 VAL 29 -11.684 2.917 -2.287 236 3HG2 VAL 29 3HG2 VAL 29 -11.283 4.549 -2.819 237 H GLY 30 HN GLY 30 -9.062 2.837 -7.106 238 1HA GLY 30 1HA GLY 30 -7.349 1.707 -8.287 239 2HA GLY 30 2HA GLY 30 -7.558 0.331 -7.203 240 H LYS 31 HN LYS 31 -7.305 3.092 -5.347 241 HA LYS 31 HA LYS 31 -4.461 3.565 -5.348 242 1HB LYS 31 2HB LYS 31 -6.316 5.056 -4.498 243 2HB LYS 31 1HB LYS 31 -6.494 3.958 -3.129 244 1HG LYS 31 2HG LYS 31 -4.095 4.339 -2.559 245 2HG LYS 31 1HG LYS 31 -3.997 5.513 -3.873 246 1HD LYS 31 2HD LYS 31 -5.876 6.783 -2.775 247 2HD LYS 31 1HD LYS 31 -5.757 5.675 -1.408 248 1HE LYS 31 2HE LYS 31 -3.932 6.760 -0.593 249 2HE LYS 31 1HE LYS 31 -3.147 6.765 -2.184 250 1HZ LYS 31 1HZ LYS 31 -5.379 8.555 -1.362 251 2HZ LYS 31 3HZ LYS 31 -3.750 9.018 -1.450 252 3HZ LYS 31 2HZ LYS 31 -4.584 8.574 -2.863 253 H LEU 32 HN LEU 32 -2.861 2.693 -3.963 254 HA LEU 32 HA LEU 32 -3.307 -0.019 -2.999 255 1HB LEU 32 2HB LEU 32 -0.985 1.896 -2.595 256 2HB LEU 32 1HB LEU 32 -0.929 0.139 -2.446 257 HG LEU 32 HG LEU 32 -1.501 1.726 -4.967 258 1HD1 LEU 32 2HD1 LEU 32 0.897 1.480 -4.128 259 2HD1 LEU 32 1HD1 LEU 32 0.717 -0.253 -4.399 260 3HD1 LEU 32 3HD1 LEU 32 0.590 0.869 -5.753 261 1HD2 LEU 32 1HD2 LEU 32 -2.090 -1.052 -4.197 262 2HD2 LEU 32 3HD2 LEU 32 -2.728 -0.098 -5.535 263 3HD2 LEU 32 2HD2 LEU 32 -1.171 -0.911 -5.695 264 H ARG 33 HN ARG 33 -3.689 -0.669 -0.887 265 HA ARG 33 HA ARG 33 -4.595 1.276 1.059 266 1HB ARG 33 2HB ARG 33 -3.930 -1.681 1.265 267 2HB ARG 33 1HB ARG 33 -4.878 -0.768 2.439 268 1HG ARG 33 2HG ARG 33 -6.545 -0.249 0.700 269 2HG ARG 33 1HG ARG 33 -5.591 -1.138 -0.487 270 1HD ARG 33 2HD ARG 33 -6.757 -2.353 2.046 271 2HD ARG 33 1HD ARG 33 -7.441 -2.537 0.420 272 HE ARG 33 HE ARG 33 -4.892 -3.314 -0.038 273 1HH1 ARG 33 1HH1 ARG 33 -5.592 -3.595 3.155 274 2HH1 ARG 33 2HH1 ARG 33 -5.544 -5.324 3.233 275 1HH2 ARG 33 1HH2 ARG 33 -5.454 -5.740 -0.209 276 2HH2 ARG 33 2HH2 ARG 33 -5.467 -6.539 1.329 277 H ASN 34 HN ASN 34 -3.451 2.195 2.740 278 HA ASN 34 HA ASN 34 -1.128 1.073 3.988 279 1HB ASN 34 2HB ASN 34 -0.807 2.521 1.453 280 2HB ASN 34 1HB ASN 34 0.201 3.170 2.747 281 1HD2 ASN 34 1HD2 ASN 34 1.462 1.849 0.602 282 2HD2 ASN 34 2HD2 ASN 34 2.074 0.359 1.137 283 H PHE 35 HN PHE 35 -3.285 2.243 5.141 284 HA PHE 35 HA PHE 35 -2.625 5.085 5.735 285 1HB PHE 35 2HB PHE 35 -4.964 3.370 5.608 286 2HB PHE 35 1HB PHE 35 -4.894 4.205 7.158 287 HD1 PHE 35 HD1 PHE 35 -4.882 6.669 7.267 288 HD2 PHE 35 HD2 PHE 35 -5.262 4.584 3.531 289 HE1 PHE 35 HE1 PHE 35 -5.652 8.760 6.177 290 HE2 PHE 35 HE2 PHE 35 -6.032 6.674 2.442 291 HZ PHE 35 HZ PHE 35 -6.227 8.763 3.765 292 H ALA 36 HN ALA 36 -1.596 5.609 7.640 293 HA ALA 36 HA ALA 36 -0.800 3.501 9.509 294 1HB ALA 36 2HB ALA 36 -0.470 6.423 10.055 295 2HB ALA 36 3HB ALA 36 0.336 5.758 8.635 296 3HB ALA 36 1HB ALA 36 0.698 5.114 10.236 297 HA PRO 37 HA PRO 37 -4.632 4.207 11.811 298 1HB PRO 37 2HB PRO 37 -3.820 2.031 13.509 299 2HB PRO 37 1HB PRO 37 -5.068 2.026 12.260 300 1HG PRO 37 2HG PRO 37 -2.561 0.689 12.179 301 2HG PRO 37 1HG PRO 37 -3.733 0.829 10.867 302 1HD PRO 37 2HD PRO 37 -1.157 2.193 11.183 303 2HD PRO 37 1HD PRO 37 -2.209 2.109 9.752 304 H ILE 38 HN ILE 38 -4.560 3.561 14.591 305 HA ILE 38 HA ILE 38 -2.410 5.377 15.632 306 HB ILE 38 HB ILE 38 -5.324 5.228 16.473 307 1HG1 ILE 38 2HG1 ILE 38 -5.168 6.167 14.237 308 2HG1 ILE 38 1HG1 ILE 38 -5.459 7.481 15.378 309 1HG2 ILE 38 2HG2 ILE 38 -3.654 5.944 18.212 310 2HG2 ILE 38 1HG2 ILE 38 -3.182 7.266 17.144 311 3HG2 ILE 38 3HG2 ILE 38 -4.820 7.201 17.794 312 1HD1 ILE 38 1HD1 ILE 38 -2.666 7.196 15.290 313 2HD1 ILE 38 3HD1 ILE 38 -3.193 7.056 13.613 314 3HD1 ILE 38 2HD1 ILE 38 -3.617 8.487 14.555 315 HA PRO 39 HA PRO 39 -2.421 1.226 17.762 316 1HB PRO 39 2HB PRO 39 0.426 1.590 17.968 317 2HB PRO 39 1HB PRO 39 -0.452 0.411 16.991 318 1HG PRO 39 2HG PRO 39 0.979 2.730 16.089 319 2HG PRO 39 1HG PRO 39 0.089 1.560 15.113 320 1HD PRO 39 2HD PRO 39 -0.644 4.288 15.724 321 2HD PRO 39 1HD PRO 39 -1.531 3.116 14.722 322 H GLY 40 HN GLY 40 -2.266 0.974 20.026 323 1HA GLY 40 1HA GLY 40 -0.952 3.126 21.594 324 2HA GLY 40 2HA GLY 40 -1.477 1.567 22.232 325 H GLU 41 HN GLU 41 -4.032 2.282 20.459 326 HA GLU 41 HA GLU 41 -5.269 4.303 22.250 327 1HB GLU 41 2HB GLU 41 -5.602 3.243 19.538 328 2HB GLU 41 1HB GLU 41 -7.138 3.417 20.388 329 1HG GLU 41 2HG GLU 41 -6.137 5.766 21.071 330 2HG GLU 41 1HG GLU 41 -5.135 5.521 19.641 331 HA PRO 42 HA PRO 42 -7.344 1.382 24.802 332 1HB PRO 42 2HB PRO 42 -9.795 2.889 24.789 333 2HB PRO 42 1HB PRO 42 -8.549 2.849 26.039 334 1HG PRO 42 2HG PRO 42 -9.151 4.985 24.209 335 2HG PRO 42 1HG PRO 42 -7.915 4.951 25.469 336 1HD PRO 42 2HD PRO 42 -7.532 4.830 22.613 337 2HD PRO 42 1HD PRO 42 -6.286 4.774 23.882 338 H VAL 43 HN VAL 43 -7.915 -0.514 23.730 339 HA VAL 43 HA VAL 43 -10.359 -0.414 21.999 340 HB VAL 43 HB VAL 43 -7.703 -1.802 21.526 341 1HG1 VAL 43 2HG1 VAL 43 -10.391 -2.414 20.579 342 2HG1 VAL 43 1HG1 VAL 43 -9.302 -2.032 19.243 343 3HG1 VAL 43 3HG1 VAL 43 -8.897 -3.328 20.368 344 1HG2 VAL 43 1HG2 VAL 43 -8.356 0.769 20.981 345 2HG2 VAL 43 3HG2 VAL 43 -7.275 -0.182 19.963 346 3HG2 VAL 43 2HG2 VAL 43 -8.976 -0.010 19.525 347 H VAL 44 HN VAL 44 -11.597 -2.367 22.005 348 HA VAL 44 HA VAL 44 -12.523 -4.300 22.978 349 HB VAL 44 HB VAL 44 -9.552 -4.681 23.432 350 1HG1 VAL 44 1HG1 VAL 44 -11.809 -6.206 24.428 351 2HG1 VAL 44 3HG1 VAL 44 -10.848 -7.175 23.312 352 3HG1 VAL 44 2HG1 VAL 44 -10.089 -6.447 24.728 353 1HG2 VAL 44 1HG2 VAL 44 -11.527 -5.390 21.278 354 2HG2 VAL 44 3HG2 VAL 44 -9.914 -4.693 21.121 355 3HG2 VAL 44 2HG2 VAL 44 -10.102 -6.399 21.523 356 HA PRO 45 HA PRO 45 -11.898 -2.235 27.218 357 1HB PRO 45 2HB PRO 45 -14.694 -1.559 27.110 358 2HB PRO 45 1HB PRO 45 -13.315 -0.456 27.133 359 1HG PRO 45 2HG PRO 45 -15.065 -1.050 24.932 360 2HG PRO 45 1HG PRO 45 -13.690 0.056 24.955 361 1HD PRO 45 2HD PRO 45 -13.878 -2.512 23.647 362 2HD PRO 45 1HD PRO 45 -12.490 -1.399 23.672 363 H ILE 46 HN ILE 46 -14.134 -4.299 25.563 364 HA ILE 46 HA ILE 46 -14.233 -6.192 27.815 365 HB ILE 46 HB ILE 46 -16.025 -4.525 28.288 366 1HG1 ILE 46 2HG1 ILE 46 -17.310 -7.076 27.305 367 2HG1 ILE 46 1HG1 ILE 46 -16.252 -7.056 28.715 368 1HG2 ILE 46 1HG2 ILE 46 -16.291 -4.336 25.593 369 2HG2 ILE 46 3HG2 ILE 46 -17.628 -5.425 25.960 370 3HG2 ILE 46 2HG2 ILE 46 -17.547 -3.839 26.725 371 1HD1 ILE 46 3HD1 ILE 46 -18.685 -5.276 28.394 372 2HD1 ILE 46 2HD1 ILE 46 -18.686 -6.798 29.284 373 3HD1 ILE 46 1HD1 ILE 46 -17.688 -5.453 29.838 374 H LEU 47 HN LEU 47 -15.057 -5.203 24.563 375 HA LEU 47 HA LEU 47 -14.791 -8.012 23.622 376 1HB LEU 47 2HB LEU 47 -17.073 -6.115 22.950 377 2HB LEU 47 1HB LEU 47 -16.869 -7.747 22.313 378 HG LEU 47 HG LEU 47 -17.163 -7.076 25.257 379 1HD1 LEU 47 2HD1 LEU 47 -19.187 -6.730 23.642 380 2HD1 LEU 47 1HD1 LEU 47 -19.217 -8.492 23.572 381 3HD1 LEU 47 3HD1 LEU 47 -19.429 -7.666 25.116 382 1HD2 LEU 47 1HD2 LEU 47 -15.881 -9.171 24.577 383 2HD2 LEU 47 3HD2 LEU 47 -17.296 -9.447 25.593 384 3HD2 LEU 47 2HD2 LEU 47 -17.382 -9.753 23.858 385 H CYS 48 HN CYS 48 -16.117 -6.031 21.244 386 HA CYS 48 HA CYS 48 -13.388 -5.299 20.251 387 1HB CYS 48 2HB CYS 48 -15.979 -6.130 18.932 388 2HB CYS 48 1HB CYS 48 -14.680 -5.367 18.015 389 H SER 49 HN SER 49 -13.013 -3.115 20.091 390 HA SER 49 HA SER 49 -14.879 -1.132 20.916 391 1HB SER 49 2HB SER 49 -12.440 -0.905 19.128 392 2HB SER 49 1HB SER 49 -13.163 0.408 20.057 393 HG SER 49 HG SER 49 -12.220 -0.304 21.782 394 H ASN 50 HN ASN 50 -13.604 -1.544 17.600 395 HA ASN 50 HA ASN 50 -15.707 0.050 16.412 396 1HB ASN 50 2HB ASN 50 -13.441 -1.701 15.521 397 2HB ASN 50 1HB ASN 50 -14.623 -1.168 14.325 398 1HD2 ASN 50 1HD2 ASN 50 -13.230 0.359 13.253 399 2HD2 ASN 50 2HD2 ASN 50 -12.653 1.760 14.017 400 HA PRO 51 HA PRO 51 -18.684 -3.343 16.600 401 1HB PRO 51 2HB PRO 51 -20.494 -1.624 15.170 402 2HB PRO 51 1HB PRO 51 -20.526 -2.054 16.882 403 1HG PRO 51 2HG PRO 51 -19.828 0.470 15.719 404 2HG PRO 51 1HG PRO 51 -19.826 0.031 17.428 405 1HD PRO 51 2HD PRO 51 -17.548 0.475 15.697 406 2HD PRO 51 1HD PRO 51 -17.548 0.081 17.431 407 H ASN 52 HN ASN 52 -17.281 -1.715 13.916 408 HA ASN 52 HA ASN 52 -18.284 -3.866 12.079 409 1HB ASN 52 2HB ASN 52 -17.803 -0.911 11.586 410 2HB ASN 52 1HB ASN 52 -18.187 -2.073 10.317 411 1HD2 ASN 52 1HD2 ASN 52 -19.958 0.089 10.833 412 2HD2 ASN 52 2HD2 ASN 52 -21.389 -0.521 11.511 413 H PHE 53 HN PHE 53 -15.811 -3.781 13.684 414 HA PHE 53 HA PHE 53 -13.615 -3.098 11.866 415 1HB PHE 53 2HB PHE 53 -12.280 -3.628 13.728 416 2HB PHE 53 1HB PHE 53 -13.789 -3.129 14.489 417 HD1 PHE 53 HD1 PHE 53 -15.577 -5.362 14.245 418 HD2 PHE 53 HD2 PHE 53 -11.336 -5.394 14.934 419 HE1 PHE 53 HE1 PHE 53 -15.771 -7.576 15.336 420 HE2 PHE 53 HE2 PHE 53 -11.531 -7.617 16.027 421 HZ PHE 53 HZ PHE 53 -13.750 -8.704 16.227 422 HA PRO 54 HA PRO 54 -12.914 -6.962 9.905 423 1HB PRO 54 2HB PRO 54 -10.483 -7.759 11.239 424 2HB PRO 54 1HB PRO 54 -10.657 -7.020 9.645 425 1HG PRO 54 2HG PRO 54 -9.617 -5.812 12.023 426 2HG PRO 54 1HG PRO 54 -9.851 -5.057 10.448 427 1HD PRO 54 2HD PRO 54 -11.368 -4.647 12.882 428 2HD PRO 54 1HD PRO 54 -11.554 -3.813 11.323 429 H GLU 55 HN GLU 55 -14.802 -7.607 11.347 430 HA GLU 55 HA GLU 55 -14.851 -8.835 13.781 431 1HB GLU 55 2HB GLU 55 -16.732 -8.562 12.187 432 2HB GLU 55 1HB GLU 55 -16.103 -9.916 11.239 433 1HG GLU 55 2HG GLU 55 -16.313 -11.377 13.249 434 2HG GLU 55 1HG GLU 55 -17.034 -10.027 14.125 435 H GLU 56 HN GLU 56 -13.280 -10.118 10.905 436 HA GLU 56 HA GLU 56 -12.933 -12.827 11.632 437 1HB GLU 56 2HB GLU 56 -11.061 -10.839 10.296 438 2HB GLU 56 1HB GLU 56 -10.829 -12.587 10.269 439 1HG GLU 56 2HG GLU 56 -13.235 -11.094 9.177 440 2HG GLU 56 1HG GLU 56 -11.964 -11.851 8.216 441 H LEU 57 HN LEU 57 -11.764 -9.941 13.108 442 HA LEU 57 HA LEU 57 -9.575 -11.283 14.592 443 1HB LEU 57 2HB LEU 57 -10.704 -8.462 14.654 444 2HB LEU 57 1HB LEU 57 -9.211 -8.982 15.434 445 HG LEU 57 HG LEU 57 -9.747 -9.129 12.451 446 1HD1 LEU 57 3HD1 LEU 57 -9.486 -6.810 13.554 447 2HD1 LEU 57 2HD1 LEU 57 -7.820 -7.291 13.877 448 3HD1 LEU 57 1HD1 LEU 57 -8.402 -7.189 12.215 449 1HD2 LEU 57 3HD2 LEU 57 -7.561 -10.039 14.252 450 2HD2 LEU 57 2HD2 LEU 57 -8.099 -10.707 12.710 451 3HD2 LEU 57 1HD2 LEU 57 -7.070 -9.273 12.741 452 H LYS 58 HN LYS 58 -12.839 -11.322 14.869 453 HA LYS 58 HA LYS 58 -13.731 -10.472 17.305 454 1HB LYS 58 2HB LYS 58 -15.240 -11.701 16.030 455 2HB LYS 58 1HB LYS 58 -14.084 -12.993 15.721 456 1HG LYS 58 2HG LYS 58 -15.850 -13.727 17.291 457 2HG LYS 58 1HG LYS 58 -14.268 -13.724 18.071 458 1HD LYS 58 2HD LYS 58 -15.567 -12.624 19.666 459 2HD LYS 58 1HD LYS 58 -14.928 -11.264 18.744 460 1HE LYS 58 2HE LYS 58 -17.032 -10.642 18.180 461 2HE LYS 58 1HE LYS 58 -17.333 -12.240 17.471 462 1HZ LYS 58 3HZ LYS 58 -17.569 -13.049 19.831 463 2HZ LYS 58 2HZ LYS 58 -17.611 -11.420 20.313 464 3HZ LYS 58 1HZ LYS 58 -18.817 -12.037 19.287 465 HA PRO 59 HA PRO 59 -11.692 -14.351 19.493 466 1HB PRO 59 2HB PRO 59 -9.280 -14.814 17.985 467 2HB PRO 59 1HB PRO 59 -10.610 -15.936 18.280 468 1HG PRO 59 2HG PRO 59 -9.954 -14.512 15.839 469 2HG PRO 59 1HG PRO 59 -11.188 -15.750 16.092 470 1HD PRO 59 2HD PRO 59 -11.636 -12.985 15.642 471 2HD PRO 59 1HD PRO 59 -12.848 -14.180 16.153 472 H LEU 60 HN LEU 60 -9.617 -12.070 17.658 473 HA LEU 60 HA LEU 60 -7.626 -11.603 19.593 474 1HB LEU 60 2HB LEU 60 -8.241 -10.716 17.112 475 2HB LEU 60 1HB LEU 60 -8.719 -9.301 18.051 476 HG LEU 60 HG LEU 60 -6.314 -9.936 19.203 477 1HD1 LEU 60 2HD1 LEU 60 -6.405 -11.376 16.759 478 2HD1 LEU 60 1HD1 LEU 60 -5.316 -10.012 16.501 479 3HD1 LEU 60 3HD1 LEU 60 -5.012 -11.147 17.817 480 1HD2 LEU 60 1HD2 LEU 60 -7.416 -7.801 17.929 481 2HD2 LEU 60 3HD2 LEU 60 -5.735 -7.854 18.461 482 3HD2 LEU 60 2HD2 LEU 60 -6.142 -8.228 16.787 483 H CYS 61 HN CYS 61 -10.836 -10.060 19.231 484 HA CYS 61 HA CYS 61 -10.513 -8.224 21.431 485 1HB CYS 61 2HB CYS 61 -12.950 -9.434 20.083 486 2HB CYS 61 1HB CYS 61 -12.980 -8.024 21.140 487 H LYS 62 HN LYS 62 -11.584 -11.578 21.183 488 HA LYS 62 HA LYS 62 -12.699 -11.671 23.886 489 1HB LYS 62 2HB LYS 62 -13.454 -13.062 21.960 490 2HB LYS 62 1HB LYS 62 -11.883 -13.861 21.950 491 1HG LYS 62 2HG LYS 62 -13.364 -15.278 23.203 492 2HG LYS 62 1HG LYS 62 -12.317 -14.485 24.379 493 1HD LYS 62 2HD LYS 62 -14.066 -12.802 24.812 494 2HD LYS 62 1HD LYS 62 -15.112 -13.578 23.622 495 1HE LYS 62 2HE LYS 62 -14.962 -15.700 25.001 496 2HE LYS 62 1HE LYS 62 -14.137 -14.746 26.249 497 1HZ LYS 62 2HZ LYS 62 -16.090 -13.118 25.866 498 2HZ LYS 62 1HZ LYS 62 -16.885 -14.466 25.206 499 3HZ LYS 62 3HZ LYS 62 -16.359 -14.500 26.817 500 H GLU 63 HN GLU 63 -9.550 -11.562 22.713 501 HA GLU 63 HA GLU 63 -8.519 -13.169 25.027 502 1HB GLU 63 2HB GLU 63 -6.498 -13.435 23.645 503 2HB GLU 63 1HB GLU 63 -7.924 -13.950 22.746 504 1HG GLU 63 2HG GLU 63 -7.930 -12.011 21.407 505 2HG GLU 63 1HG GLU 63 -6.907 -11.120 22.535 506 HA PRO 64 HA PRO 64 -7.155 -9.416 26.880 507 1HB PRO 64 2HB PRO 64 -4.874 -10.735 28.037 508 2HB PRO 64 1HB PRO 64 -6.402 -10.315 28.814 509 1HG PRO 64 2HG PRO 64 -5.461 -12.923 28.075 510 2HG PRO 64 1HG PRO 64 -6.996 -12.501 28.837 511 1HD PRO 64 2HD PRO 64 -6.544 -13.381 26.121 512 2HD PRO 64 1HD PRO 64 -8.093 -12.978 26.897 513 H ASN 65 HN ASN 65 -5.185 -11.311 24.736 514 HA ASN 65 HA ASN 65 -2.915 -9.464 24.673 515 1HB ASN 65 2HB ASN 65 -3.829 -11.720 22.860 516 2HB ASN 65 1HB ASN 65 -2.243 -10.952 22.793 517 1HD2 ASN 65 1HD2 ASN 65 -2.390 -13.718 23.351 518 2HD2 ASN 65 2HD2 ASN 65 -1.968 -13.988 24.973 519 H ALA 66 HN ALA 66 -6.056 -9.373 23.396 520 HA ALA 66 HA ALA 66 -5.833 -8.363 20.796 521 1HB ALA 66 3HB ALA 66 -7.778 -8.674 22.714 522 2HB ALA 66 1HB ALA 66 -8.039 -7.900 21.152 523 3HB ALA 66 2HB ALA 66 -7.692 -6.919 22.577 524 H GLN 67 HN GLN 67 -5.305 -6.666 23.881 525 HA GLN 67 HA GLN 67 -5.037 -4.021 22.830 526 1HB GLN 67 2HB GLN 67 -5.312 -4.752 25.227 527 2HB GLN 67 1HB GLN 67 -3.632 -5.288 25.203 528 1HG GLN 67 2HG GLN 67 -2.960 -2.962 24.546 529 2HG GLN 67 1HG GLN 67 -4.640 -2.463 24.750 530 1HE2 GLN 67 1HE2 GLN 67 -4.940 -1.494 26.757 531 2HE2 GLN 67 2HE2 GLN 67 -4.166 -1.959 28.194 532 H GLU 68 HN GLU 68 -2.665 -6.645 23.280 533 HA GLU 68 HA GLU 68 -0.419 -5.007 22.345 534 1HB GLU 68 2HB GLU 68 -0.247 -6.865 24.000 535 2HB GLU 68 1HB GLU 68 -0.734 -8.003 22.743 536 1HG GLU 68 2HG GLU 68 1.688 -8.031 22.892 537 2HG GLU 68 1HG GLU 68 1.238 -7.239 21.383 538 H ILE 69 HN ILE 69 -2.534 -7.533 21.017 539 HA ILE 69 HA ILE 69 -1.187 -7.789 18.475 540 HB ILE 69 HB ILE 69 -4.069 -8.277 19.309 541 1HG1 ILE 69 2HG1 ILE 69 -1.707 -10.178 19.211 542 2HG1 ILE 69 1HG1 ILE 69 -2.361 -9.467 20.686 543 1HG2 ILE 69 1HG2 ILE 69 -2.531 -8.760 16.823 544 2HG2 ILE 69 3HG2 ILE 69 -3.497 -10.121 17.394 545 3HG2 ILE 69 2HG2 ILE 69 -4.269 -8.573 17.054 546 1HD1 ILE 69 2HD1 ILE 69 -4.626 -10.480 19.502 547 2HD1 ILE 69 1HD1 ILE 69 -3.414 -11.672 19.037 548 3HD1 ILE 69 3HD1 ILE 69 -3.689 -11.312 20.741 549 H LEU 70 HN LEU 70 -3.964 -5.860 19.605 550 HA LEU 70 HA LEU 70 -4.819 -4.679 17.220 551 1HB LEU 70 2HB LEU 70 -5.976 -4.336 19.291 552 2HB LEU 70 1HB LEU 70 -4.539 -3.666 20.060 553 HG LEU 70 HG LEU 70 -6.442 -2.060 19.177 554 1HD1 LEU 70 1HD1 LEU 70 -3.912 -1.682 19.973 555 2HD1 LEU 70 3HD1 LEU 70 -3.726 -1.207 18.285 556 3HD1 LEU 70 2HD1 LEU 70 -4.887 -0.368 19.315 557 1HD2 LEU 70 1HD2 LEU 70 -6.071 -3.250 16.839 558 2HD2 LEU 70 3HD2 LEU 70 -6.411 -1.521 16.919 559 3HD2 LEU 70 2HD2 LEU 70 -4.755 -2.085 16.704 560 H GLN 71 HN GLN 71 -2.422 -3.220 19.472 561 HA GLN 71 HA GLN 71 -1.596 -1.063 17.891 562 1HB GLN 71 2HB GLN 71 -0.967 -1.637 20.252 563 2HB GLN 71 1HB GLN 71 0.126 -2.867 19.619 564 1HG GLN 71 2HG GLN 71 1.312 -1.089 18.326 565 2HG GLN 71 1HG GLN 71 0.271 0.115 19.087 566 1HE2 GLN 71 1HE2 GLN 71 1.498 1.141 20.682 567 2HE2 GLN 71 2HE2 GLN 71 2.495 0.344 21.801 568 H ARG 72 HN ARG 72 -0.012 -4.282 18.008 569 HA ARG 72 HA ARG 72 1.867 -3.884 15.944 570 1HB ARG 72 2HB ARG 72 0.318 -6.329 16.851 571 2HB ARG 72 1HB ARG 72 1.726 -6.403 15.791 572 1HG ARG 72 2HG ARG 72 3.031 -5.175 17.558 573 2HG ARG 72 1HG ARG 72 1.634 -5.326 18.624 574 1HD ARG 72 2HD ARG 72 1.750 -7.830 18.300 575 2HD ARG 72 1HD ARG 72 3.275 -7.587 17.429 576 HE ARG 72 HE ARG 72 2.900 -6.541 20.214 577 1HH1 ARG 72 1HH1 ARG 72 5.438 -6.110 18.577 578 2HH1 ARG 72 2HH1 ARG 72 6.467 -7.346 19.222 579 1HH2 ARG 72 1HH2 ARG 72 3.876 -9.089 20.728 580 2HH2 ARG 72 2HH2 ARG 72 5.583 -9.031 20.439 581 H LEU 73 HN LEU 73 -1.230 -5.669 15.555 582 HA LEU 73 HA LEU 73 -1.331 -5.975 12.819 583 1HB LEU 73 2HB LEU 73 -3.033 -6.600 14.595 584 2HB LEU 73 1HB LEU 73 -3.630 -4.941 14.507 585 HG LEU 73 HG LEU 73 -4.284 -5.201 12.221 586 1HD1 LEU 73 1HD1 LEU 73 -2.601 -7.702 12.361 587 2HD1 LEU 73 3HD1 LEU 73 -3.815 -7.484 11.101 588 3HD1 LEU 73 2HD1 LEU 73 -2.468 -6.354 11.233 589 1HD2 LEU 73 3HD2 LEU 73 -4.950 -7.583 13.950 590 2HD2 LEU 73 2HD2 LEU 73 -5.955 -6.183 13.575 591 3HD2 LEU 73 1HD2 LEU 73 -5.643 -7.400 12.338 592 H GLU 74 HN GLU 74 -2.407 -3.038 14.560 593 HA GLU 74 HA GLU 74 -3.120 -1.452 12.336 594 1HB GLU 74 2HB GLU 74 -1.826 -0.725 14.986 595 2HB GLU 74 1HB GLU 74 -2.655 0.419 13.931 596 1HG GLU 74 2HG GLU 74 -3.937 -2.072 15.084 597 2HG GLU 74 1HG GLU 74 -4.110 -0.460 15.775 598 H GLU 75 HN GLU 75 0.090 -1.746 13.938 599 HA GLU 75 HA GLU 75 1.523 0.119 12.389 600 1HB GLU 75 2HB GLU 75 2.261 -1.140 14.429 601 2HB GLU 75 1HB GLU 75 2.442 -2.581 13.430 602 1HG GLU 75 2HG GLU 75 4.068 -1.353 12.000 603 2HG GLU 75 1HG GLU 75 3.924 0.042 13.070 604 H ILE 76 HN ILE 76 1.202 -3.411 11.777 605 HA ILE 76 HA ILE 76 2.581 -3.445 9.285 606 HB ILE 76 HB ILE 76 0.232 -5.125 10.230 607 1HG1 ILE 76 2HG1 ILE 76 1.896 -5.134 11.962 608 2HG1 ILE 76 1HG1 ILE 76 2.103 -6.635 11.060 609 1HG2 ILE 76 1HG2 ILE 76 2.319 -5.410 8.087 610 2HG2 ILE 76 3HG2 ILE 76 1.695 -6.856 8.880 611 3HG2 ILE 76 2HG2 ILE 76 0.596 -5.780 8.017 612 1HD1 ILE 76 3HD1 ILE 76 3.894 -5.532 9.714 613 2HD1 ILE 76 2HD1 ILE 76 3.725 -4.093 10.719 614 3HD1 ILE 76 1HD1 ILE 76 4.289 -5.605 11.431 615 H ALA 77 HN ALA 77 -0.767 -2.710 10.113 616 HA ALA 77 HA ALA 77 -1.911 -2.676 7.500 617 1HB ALA 77 1HB ALA 77 -2.618 -2.084 10.159 618 2HB ALA 77 2HB ALA 77 -3.697 -2.081 8.764 619 3HB ALA 77 3HB ALA 77 -2.903 -0.589 9.268 620 H GLU 78 HN GLU 78 0.086 -0.353 9.235 621 HA GLU 78 HA GLU 78 -0.362 1.956 7.621 622 1HB GLU 78 2HB GLU 78 0.794 1.818 9.836 623 2HB GLU 78 1HB GLU 78 2.156 1.029 9.040 624 1HG GLU 78 2HG GLU 78 2.398 3.022 7.559 625 2HG GLU 78 1HG GLU 78 1.104 3.813 8.457 626 H ASP 79 HN ASP 79 1.961 -0.742 7.270 627 HA ASP 79 HA ASP 79 2.257 -0.024 4.398 628 1HB ASP 79 2HB ASP 79 4.819 -0.322 4.858 629 2HB ASP 79 1HB ASP 79 4.056 1.214 5.263 630 HA PRO 80 HA PRO 80 2.392 -4.359 3.762 631 1HB PRO 80 2HB PRO 80 4.559 -4.231 1.875 632 2HB PRO 80 1HB PRO 80 2.830 -4.349 1.539 633 1HG PRO 80 2HG PRO 80 4.544 -2.086 1.144 634 2HG PRO 80 1HG PRO 80 2.809 -2.195 0.837 635 1HD PRO 80 2HD PRO 80 4.158 -0.764 2.962 636 2HD PRO 80 1HD PRO 80 2.414 -0.834 2.621 637 H GLY 81 HN GLY 81 5.783 -3.172 3.505 638 1HA GLY 81 1HA GLY 81 6.551 -4.660 5.900 639 2HA GLY 81 2HA GLY 81 7.637 -3.744 4.854 640 H THR 82 HN THR 82 7.668 -6.617 5.940 641 HA THR 82 HA THR 82 8.669 -7.849 3.466 642 HB THR 82 HB THR 82 9.374 -9.606 5.046 643 HG1 THR 82 1HG THR 82 8.434 -9.809 6.918 644 1HG2 THR 82 3HG2 THR 82 9.943 -6.765 5.373 645 2HG2 THR 82 2HG2 THR 82 10.213 -7.671 6.862 646 3HG2 THR 82 1HG2 THR 82 11.051 -8.138 5.382 647 H CYS 83 HN CYS 83 5.745 -7.828 5.298 648 HA CYS 83 HA CYS 83 4.680 -10.410 4.774 649 1HB CYS 83 2HB CYS 83 3.833 -8.485 6.250 650 2HB CYS 83 1HB CYS 83 3.131 -7.810 4.779 651 H GLU 84 HN GLU 84 4.198 -7.388 2.901 652 HA GLU 84 HA GLU 84 2.721 -8.527 0.763 653 1HB GLU 84 2HB GLU 84 3.013 -6.116 1.299 654 2HB GLU 84 1HB GLU 84 4.686 -6.217 0.752 655 1HG GLU 84 2HG GLU 84 3.388 -5.366 -1.093 656 2HG GLU 84 1HG GLU 84 3.800 -7.038 -1.477 657 H ILE 85 HN ILE 85 6.173 -8.636 1.431 658 HA ILE 85 HA ILE 85 6.671 -9.699 -1.319 659 HB ILE 85 HB ILE 85 8.974 -9.108 -0.878 660 1HG1 ILE 85 2HG1 ILE 85 8.020 -8.748 1.972 661 2HG1 ILE 85 1HG1 ILE 85 9.228 -9.893 1.388 662 1HG2 ILE 85 3HG2 ILE 85 6.847 -7.273 -0.785 663 2HG2 ILE 85 2HG2 ILE 85 7.959 -6.756 0.483 664 3HG2 ILE 85 1HG2 ILE 85 8.530 -6.918 -1.178 665 1HD1 ILE 85 2HD1 ILE 85 10.467 -7.748 0.537 666 2HD1 ILE 85 1HD1 ILE 85 9.444 -6.908 1.702 667 3HD1 ILE 85 3HD1 ILE 85 10.556 -8.162 2.249 668 H CYS 86 HN CYS 86 5.548 -11.072 1.277 669 HA CYS 86 HA CYS 86 5.780 -13.180 2.326 670 1HB CYS 86 2HB CYS 86 7.236 -13.808 -0.254 671 2HB CYS 86 1HB CYS 86 6.275 -14.911 0.730 672 H ALA 87 HN ALA 87 8.177 -11.155 2.363 673 HA ALA 87 HA ALA 87 10.607 -12.681 2.455 674 1HB ALA 87 3HB ALA 87 10.944 -10.571 4.191 675 2HB ALA 87 1HB ALA 87 9.579 -10.022 3.218 676 3HB ALA 87 2HB ALA 87 11.101 -10.455 2.438 677 H TYR 88 HN TYR 88 7.898 -12.596 4.549 678 HA TYR 88 HA TYR 88 9.351 -14.260 6.542 679 1HB TYR 88 2HB TYR 88 9.432 -11.787 7.132 680 2HB TYR 88 1HB TYR 88 7.676 -11.843 7.282 681 HD1 TYR 88 HD1 TYR 88 10.753 -13.631 8.472 682 HD2 TYR 88 HD2 TYR 88 6.726 -12.415 9.337 683 HE1 TYR 88 HE1 TYR 88 10.980 -14.521 10.775 684 HE2 TYR 88 HE2 TYR 88 6.951 -13.305 11.640 685 HH TYR 88 HH TYR 88 9.671 -15.241 12.603 686 H ALA 89 HN ALA 89 7.546 -14.912 8.295 687 HA ALA 89 HA ALA 89 5.399 -16.210 6.798 688 1HB ALA 89 1HB ALA 89 6.444 -17.401 8.589 689 2HB ALA 89 2HB ALA 89 4.844 -16.967 9.191 690 3HB ALA 89 3HB ALA 89 6.257 -16.040 9.695 691 H ALA 90 HN ALA 90 5.732 -13.099 7.861 692 HA ALA 90 HA ALA 90 3.350 -12.467 9.263 693 1HB ALA 90 1HB ALA 90 4.759 -10.823 7.142 694 2HB ALA 90 3HB ALA 90 3.838 -10.214 8.518 695 3HB ALA 90 2HB ALA 90 5.377 -11.035 8.780 696 H CYS 91 HN CYS 91 3.944 -12.749 5.758 697 HA CYS 91 HA CYS 91 1.021 -12.340 5.280 698 1HB CYS 91 2HB CYS 91 3.507 -11.576 3.990 699 2HB CYS 91 1HB CYS 91 2.432 -12.390 2.856 700 H THR 92 HN THR 92 -0.173 -14.096 4.673 701 HA THR 92 HA THR 92 1.291 -16.589 3.887 702 HB THR 92 HB THR 92 -0.567 -17.742 4.883 703 HG1 THR 92 1HG THR 92 -2.224 -16.471 4.044 704 1HG2 THR 92 1HG2 THR 92 0.991 -15.901 6.290 705 2HG2 THR 92 3HG2 THR 92 -0.649 -15.622 6.873 706 3HG2 THR 92 2HG2 THR 92 0.063 -17.231 6.985 707 H GLY 93 HN GLY 93 0.244 -17.909 2.191 708 1HA GLY 93 1HA GLY 93 -1.670 -16.432 0.457 709 2HA GLY 93 2HA GLY 93 -1.347 -18.164 0.373 710 H CYS 94 HN CYS 94 1.478 -16.309 0.759 711 HA CYS 94 HA CYS 94 2.104 -15.375 -1.819 712 1HB CYS 94 2HB CYS 94 3.356 -15.188 0.407 713 2HB CYS 94 1HB CYS 94 4.010 -16.789 0.062 No H/Q in entry = 713 Start of MODEL 25 1 H1 VAL 1 2H VAL 1 -2.696 -12.372 -0.216 2 H2 VAL 1 1H VAL 1 -2.499 -10.815 -0.868 3 H3 VAL 1 3H VAL 1 -1.418 -12.055 -1.290 4 HA VAL 1 HA VAL 1 -0.463 -12.105 0.874 5 HB VAL 1 HB VAL 1 -0.996 -9.336 -0.239 6 1HG1 VAL 1 2HG1 VAL 1 0.124 -9.938 2.238 7 2HG1 VAL 1 1HG1 VAL 1 1.523 -9.739 1.183 8 3HG1 VAL 1 3HG1 VAL 1 0.345 -8.435 1.342 9 1HG2 VAL 1 2HG2 VAL 1 0.803 -11.591 -0.894 10 2HG2 VAL 1 1HG2 VAL 1 0.209 -10.289 -1.925 11 3HG2 VAL 1 3HG2 VAL 1 1.578 -10.007 -0.849 12 H THR 2 HN THR 2 -1.333 -12.472 2.886 13 HA THR 2 HA THR 2 -3.189 -10.394 3.996 14 HB THR 2 HB THR 2 -3.366 -13.411 4.269 15 HG1 THR 2 1HG THR 2 -5.095 -11.656 2.882 16 1HG2 THR 2 3HG2 THR 2 -4.230 -11.995 6.185 17 2HG2 THR 2 2HG2 THR 2 -5.380 -11.291 5.049 18 3HG2 THR 2 1HG2 THR 2 -5.442 -13.015 5.412 19 H VAL 3 HN VAL 3 -3.004 -10.061 6.253 20 HA VAL 3 HA VAL 3 -0.431 -10.959 7.437 21 HB VAL 3 HB VAL 3 -1.863 -8.579 7.375 22 1HG1 VAL 3 1HG1 VAL 3 -2.156 -9.877 10.099 23 2HG1 VAL 3 3HG1 VAL 3 -2.367 -8.152 9.801 24 3HG1 VAL 3 2HG1 VAL 3 -3.457 -9.316 9.050 25 1HG2 VAL 3 2HG2 VAL 3 0.438 -9.648 8.968 26 2HG2 VAL 3 1HG2 VAL 3 0.429 -8.414 7.709 27 3HG2 VAL 3 3HG2 VAL 3 -0.165 -8.030 9.324 28 H GLN 4 HN GLN 4 -0.471 -12.779 8.698 29 HA GLN 4 HA GLN 4 -3.039 -13.457 10.093 30 1HB GLN 4 2HB GLN 4 -2.457 -15.742 9.718 31 2HB GLN 4 1HB GLN 4 -2.082 -14.912 8.210 32 1HG GLN 4 2HG GLN 4 0.273 -14.798 8.797 33 2HG GLN 4 1HG GLN 4 -0.056 -15.449 10.402 34 1HE2 GLN 4 1HE2 GLN 4 -2.170 -17.146 8.550 35 2HE2 GLN 4 2HE2 GLN 4 -1.198 -18.466 8.113 36 H ASP 5 HN ASP 5 -2.917 -14.138 12.261 37 HA ASP 5 HA ASP 5 -0.453 -13.334 13.718 38 1HB ASP 5 2HB ASP 5 -3.304 -13.992 14.518 39 2HB ASP 5 1HB ASP 5 -2.045 -13.555 15.675 40 H GLY 6 HN GLY 6 -2.836 -15.870 14.424 41 1HA GLY 6 1HA GLY 6 -2.223 -17.922 15.586 42 2HA GLY 6 2HA GLY 6 -0.578 -17.733 14.976 43 H ASN 7 HN ASN 7 -3.279 -19.563 14.589 44 HA ASN 7 HA ASN 7 -2.378 -20.555 11.965 45 1HB ASN 7 2HB ASN 7 -3.091 -21.892 14.044 46 2HB ASN 7 1HB ASN 7 -4.745 -21.444 13.626 47 1HD2 ASN 7 1HD2 ASN 7 -4.932 -23.918 13.326 48 2HD2 ASN 7 2HD2 ASN 7 -4.499 -24.555 11.814 49 H PHE 8 HN PHE 8 -4.033 -17.913 12.590 50 HA PHE 8 HA PHE 8 -6.067 -18.375 10.431 51 1HB PHE 8 2HB PHE 8 -7.030 -18.167 12.701 52 2HB PHE 8 1HB PHE 8 -6.201 -16.623 12.910 53 HD1 PHE 8 HD1 PHE 8 -6.732 -14.726 11.296 54 HD2 PHE 8 HD2 PHE 8 -9.115 -18.289 11.580 55 HE1 PHE 8 HE1 PHE 8 -8.612 -13.560 10.172 56 HE2 PHE 8 HE2 PHE 8 -10.993 -17.123 10.458 57 HZ PHE 8 HZ PHE 8 -10.743 -14.757 9.755 58 H SER 9 HN SER 9 -6.290 -16.632 8.920 59 HA SER 9 HA SER 9 -4.043 -14.657 8.980 60 1HB SER 9 2HB SER 9 -4.322 -16.345 7.110 61 2HB SER 9 1HB SER 9 -5.817 -15.515 6.678 62 HG SER 9 HG SER 9 -3.329 -14.195 6.926 63 H PHE 10 HN PHE 10 -4.493 -12.471 8.988 64 HA PHE 10 HA PHE 10 -7.382 -11.661 8.881 65 1HB PHE 10 2HB PHE 10 -5.024 -10.583 10.462 66 2HB PHE 10 1HB PHE 10 -6.636 -9.870 10.473 67 HD1 PHE 10 HD1 PHE 10 -8.611 -11.434 11.115 68 HD2 PHE 10 HD2 PHE 10 -4.492 -12.321 11.949 69 HE1 PHE 10 HE1 PHE 10 -9.312 -13.047 12.865 70 HE2 PHE 10 HE2 PHE 10 -5.193 -13.934 13.698 71 HZ PHE 10 HZ PHE 10 -7.604 -14.298 14.156 72 H SER 11 HN SER 11 -7.867 -10.124 7.327 73 HA SER 11 HA SER 11 -5.905 -9.262 5.407 74 1HB SER 11 2HB SER 11 -8.381 -9.566 5.078 75 2HB SER 11 1HB SER 11 -8.642 -8.118 6.049 76 HG SER 11 HG SER 11 -8.248 -7.004 4.337 77 H LEU 12 HN LEU 12 -5.390 -6.913 4.986 78 HA LEU 12 HA LEU 12 -4.842 -5.511 7.560 79 1HB LEU 12 2HB LEU 12 -3.754 -5.248 4.740 80 2HB LEU 12 1HB LEU 12 -3.205 -4.280 6.108 81 HG LEU 12 HG LEU 12 -3.040 -7.296 5.838 82 1HD1 LEU 12 3HD1 LEU 12 -0.961 -5.092 5.957 83 2HD1 LEU 12 2HD1 LEU 12 -0.583 -6.812 6.058 84 3HD1 LEU 12 1HD1 LEU 12 -1.302 -6.152 4.588 85 1HD2 LEU 12 1HD2 LEU 12 -2.841 -5.461 8.169 86 2HD2 LEU 12 3HD2 LEU 12 -3.314 -7.159 8.112 87 3HD2 LEU 12 2HD2 LEU 12 -1.608 -6.716 8.055 88 H GLU 13 HN GLU 13 -7.077 -5.433 5.046 89 HA GLU 13 HA GLU 13 -7.372 -2.599 4.614 90 1HB GLU 13 2HB GLU 13 -8.197 -4.512 3.190 91 2HB GLU 13 1HB GLU 13 -9.430 -4.818 4.412 92 1HG GLU 13 2HG GLU 13 -10.273 -2.502 4.114 93 2HG GLU 13 1HG GLU 13 -9.063 -2.237 2.859 94 H SER 14 HN SER 14 -9.794 -4.684 6.231 95 HA SER 14 HA SER 14 -11.243 -2.773 7.592 96 1HB SER 14 2HB SER 14 -10.299 -5.352 8.866 97 2HB SER 14 1HB SER 14 -11.850 -4.546 9.088 98 HG SER 14 HG SER 14 -12.507 -5.204 7.154 99 H VAL 15 HN VAL 15 -8.360 -4.403 9.001 100 HA VAL 15 HA VAL 15 -8.201 -2.927 11.380 101 HB VAL 15 HB VAL 15 -5.731 -3.483 11.181 102 1HG1 VAL 15 2HG1 VAL 15 -7.928 -5.049 11.665 103 2HG1 VAL 15 1HG1 VAL 15 -7.125 -5.959 10.382 104 3HG1 VAL 15 3HG1 VAL 15 -6.259 -5.585 11.874 105 1HG2 VAL 15 2HG2 VAL 15 -6.675 -4.548 8.500 106 2HG2 VAL 15 1HG2 VAL 15 -5.492 -3.267 8.758 107 3HG2 VAL 15 3HG2 VAL 15 -5.119 -4.922 9.238 108 H LYS 16 HN LYS 16 -6.831 -2.075 8.173 109 HA LYS 16 HA LYS 16 -5.523 0.327 8.942 110 1HB LYS 16 2HB LYS 16 -5.433 -0.845 6.720 111 2HB LYS 16 1HB LYS 16 -7.066 -0.267 6.392 112 1HG LYS 16 2HG LYS 16 -6.253 2.077 6.682 113 2HG LYS 16 1HG LYS 16 -4.616 1.453 6.891 114 1HD LYS 16 2HD LYS 16 -4.846 0.343 4.634 115 2HD LYS 16 1HD LYS 16 -6.368 1.211 4.430 116 1HE LYS 16 2HE LYS 16 -4.007 2.849 5.237 117 2HE LYS 16 1HE LYS 16 -4.029 2.237 3.573 118 1HZ LYS 16 3HZ LYS 16 -6.501 2.972 3.678 119 2HZ LYS 16 2HZ LYS 16 -5.976 3.977 4.944 120 3HZ LYS 16 1HZ LYS 16 -5.305 4.139 3.392 121 H LYS 17 HN LYS 17 -8.809 -0.016 7.529 122 HA LYS 17 HA LYS 17 -9.580 2.673 8.408 123 1HB LYS 17 2HB LYS 17 -11.189 0.366 7.262 124 2HB LYS 17 1HB LYS 17 -11.679 2.059 7.300 125 1HG LYS 17 2HG LYS 17 -9.222 1.010 5.865 126 2HG LYS 17 1HG LYS 17 -10.759 1.372 5.082 127 1HD LYS 17 2HD LYS 17 -10.574 3.721 5.972 128 2HD LYS 17 1HD LYS 17 -8.953 3.321 6.544 129 1HE LYS 17 2HE LYS 17 -8.281 2.758 4.219 130 2HE LYS 17 1HE LYS 17 -9.903 3.204 3.655 131 1HZ LYS 17 3HZ LYS 17 -9.494 5.366 4.914 132 2HZ LYS 17 2HZ LYS 17 -7.854 4.923 4.932 133 3HZ LYS 17 1HZ LYS 17 -8.656 5.162 3.454 134 H LEU 18 HN LEU 18 -8.913 0.247 10.319 135 HA LEU 18 HA LEU 18 -11.312 -0.459 11.719 136 1HB LEU 18 2HB LEU 18 -8.896 -1.418 11.662 137 2HB LEU 18 1HB LEU 18 -8.538 -0.203 12.886 138 HG LEU 18 HG LEU 18 -10.637 -2.382 13.074 139 1HD1 LEU 18 1HD1 LEU 18 -7.828 -2.253 13.734 140 2HD1 LEU 18 3HD1 LEU 18 -8.773 -2.410 15.217 141 3HD1 LEU 18 2HD1 LEU 18 -8.944 -3.605 13.931 142 1HD2 LEU 18 1HD2 LEU 18 -9.981 0.005 14.790 143 2HD2 LEU 18 3HD2 LEU 18 -11.562 -0.586 14.277 144 3HD2 LEU 18 2HD2 LEU 18 -10.656 -1.455 15.515 145 H LYS 19 HN LYS 19 -8.905 2.134 12.184 146 HA LYS 19 HA LYS 19 -9.786 3.214 14.628 147 1HB LYS 19 2HB LYS 19 -7.779 3.856 13.281 148 2HB LYS 19 1HB LYS 19 -8.844 4.683 12.143 149 1HG LYS 19 2HG LYS 19 -9.665 6.122 14.002 150 2HG LYS 19 1HG LYS 19 -8.530 5.327 15.092 151 1HD LYS 19 2HD LYS 19 -6.667 6.042 13.549 152 2HD LYS 19 1HD LYS 19 -7.853 6.985 12.646 153 1HE LYS 19 2HE LYS 19 -8.392 8.267 14.704 154 2HE LYS 19 1HE LYS 19 -7.170 7.336 15.591 155 1HZ LYS 19 2HZ LYS 19 -5.553 8.023 13.852 156 2HZ LYS 19 1HZ LYS 19 -6.736 9.055 13.201 157 3HZ LYS 19 3HZ LYS 19 -6.144 9.326 14.767 158 H ASP 20 HN ASP 20 -11.028 3.848 11.339 159 HA ASP 20 HA ASP 20 -13.534 4.904 12.580 160 1HB ASP 20 2HB ASP 20 -12.018 6.778 12.015 161 2HB ASP 20 1HB ASP 20 -11.914 6.190 10.356 162 H LEU 21 HN LEU 21 -14.270 2.700 11.872 163 HA LEU 21 HA LEU 21 -14.571 2.418 8.911 164 1HB LEU 21 2HB LEU 21 -13.550 0.640 10.459 165 2HB LEU 21 1HB LEU 21 -15.180 0.406 11.090 166 HG LEU 21 HG LEU 21 -14.633 0.316 8.126 167 1HD1 LEU 21 2HD1 LEU 21 -13.826 -1.611 10.186 168 2HD1 LEU 21 1HD1 LEU 21 -14.865 -2.319 8.949 169 3HD1 LEU 21 3HD1 LEU 21 -13.360 -1.525 8.487 170 1HD2 LEU 21 1HD2 LEU 21 -16.918 0.110 9.811 171 2HD2 LEU 21 3HD2 LEU 21 -16.843 -0.095 8.061 172 3HD2 LEU 21 2HD2 LEU 21 -16.632 -1.488 9.120 173 H GLN 22 HN GLN 22 -16.580 2.760 8.019 174 HA GLN 22 HA GLN 22 -18.881 3.191 9.873 175 1HB GLN 22 2HB GLN 22 -18.411 3.913 6.962 176 2HB GLN 22 1HB GLN 22 -19.803 4.410 7.923 177 1HG GLN 22 2HG GLN 22 -18.266 5.557 9.507 178 2HG GLN 22 1HG GLN 22 -16.905 5.111 8.478 179 1HE2 GLN 22 1HE2 GLN 22 -16.464 6.467 6.696 180 2HE2 GLN 22 2HE2 GLN 22 -17.467 7.743 6.200 181 H GLU 23 HN GLU 23 -21.048 2.689 8.447 182 HA GLU 23 HA GLU 23 -21.571 -0.022 8.469 183 1HB GLU 23 2HB GLU 23 -22.704 2.389 7.388 184 2HB GLU 23 1HB GLU 23 -22.940 1.079 6.232 185 1HG GLU 23 2HG GLU 23 -23.456 0.004 8.809 186 2HG GLU 23 1HG GLU 23 -24.311 1.544 8.719 187 HA PRO 24 HA PRO 24 -20.351 -0.342 3.758 188 1HB PRO 24 2HB PRO 24 -18.436 1.755 3.294 189 2HB PRO 24 1HB PRO 24 -20.001 1.519 2.516 190 1HG PRO 24 2HG PRO 24 -19.267 3.516 4.453 191 2HG PRO 24 1HG PRO 24 -20.824 3.300 3.651 192 1HD PRO 24 2HD PRO 24 -20.177 2.770 6.402 193 2HD PRO 24 1HD PRO 24 -21.732 2.498 5.582 194 H GLN 25 HN GLN 25 -18.683 -1.798 3.363 195 HA GLN 25 HA GLN 25 -16.806 -2.493 5.359 196 1HB GLN 25 2HB GLN 25 -16.819 -2.937 2.359 197 2HB GLN 25 1HB GLN 25 -15.808 -3.833 3.493 198 1HG GLN 25 2HG GLN 25 -17.808 -4.656 4.656 199 2HG GLN 25 1HG GLN 25 -18.839 -3.719 3.576 200 1HE2 GLN 25 1HE2 GLN 25 -19.089 -6.561 3.724 201 2HE2 GLN 25 2HE2 GLN 25 -18.567 -7.228 2.253 202 H GLU 26 HN GLU 26 -16.446 -0.362 2.542 203 HA GLU 26 HA GLU 26 -14.151 0.968 3.789 204 1HB GLU 26 2HB GLU 26 -13.819 -1.314 2.091 205 2HB GLU 26 1HB GLU 26 -13.198 0.100 1.239 206 1HG GLU 26 2HG GLU 26 -12.493 -0.298 4.131 207 2HG GLU 26 1HG GLU 26 -11.633 -1.221 2.899 208 HA PRO 27 HA PRO 27 -16.566 3.808 1.161 209 1HB PRO 27 2HB PRO 27 -15.175 5.917 2.537 210 2HB PRO 27 1HB PRO 27 -16.863 5.431 2.715 211 1HG PRO 27 2HG PRO 27 -14.712 5.043 4.576 212 2HG PRO 27 1HG PRO 27 -16.396 4.543 4.749 213 1HD PRO 27 2HD PRO 27 -14.087 2.870 4.271 214 2HD PRO 27 1HD PRO 27 -15.782 2.366 4.466 215 H ARG 28 HN ARG 28 -13.129 3.575 1.819 216 HA ARG 28 HA ARG 28 -12.568 4.850 -0.840 217 1HB ARG 28 2HB ARG 28 -11.095 5.039 1.806 218 2HB ARG 28 1HB ARG 28 -10.451 5.653 0.283 219 1HG ARG 28 2HG ARG 28 -12.483 7.082 0.044 220 2HG ARG 28 1HG ARG 28 -13.026 6.527 1.627 221 1HD ARG 28 2HD ARG 28 -10.910 7.420 2.627 222 2HD ARG 28 1HD ARG 28 -10.471 8.066 1.033 223 HE ARG 28 HE ARG 28 -12.657 9.358 1.143 224 1HH1 ARG 28 1HH1 ARG 28 -10.427 9.750 3.431 225 2HH1 ARG 28 2HH1 ARG 28 -11.487 10.169 4.736 226 1HH2 ARG 28 1HH2 ARG 28 -14.364 9.194 3.063 227 2HH2 ARG 28 2HH2 ARG 28 -13.716 9.854 4.527 228 H VAL 29 HN VAL 29 -11.097 3.713 -2.136 229 HA VAL 29 HA VAL 29 -9.887 1.236 -0.949 230 HB VAL 29 HB VAL 29 -11.054 1.632 -3.723 231 1HG1 VAL 29 3HG1 VAL 29 -9.360 -0.376 -2.536 232 2HG1 VAL 29 2HG1 VAL 29 -10.923 -1.088 -2.939 233 3HG1 VAL 29 1HG1 VAL 29 -9.970 -0.286 -4.189 234 1HG2 VAL 29 1HG2 VAL 29 -12.538 1.542 -1.475 235 2HG2 VAL 29 3HG2 VAL 29 -13.059 0.786 -2.980 236 3HG2 VAL 29 2HG2 VAL 29 -12.300 -0.188 -1.721 237 H GLY 30 HN GLY 30 -7.742 0.848 -1.550 238 1HA GLY 30 1HA GLY 30 -5.785 2.508 -2.040 239 2HA GLY 30 2HA GLY 30 -6.549 2.626 -3.625 240 H LYS 31 HN LYS 31 -4.584 1.723 -4.571 241 HA LYS 31 HA LYS 31 -4.681 -1.070 -5.090 242 1HB LYS 31 2HB LYS 31 -2.423 0.950 -5.282 243 2HB LYS 31 1HB LYS 31 -2.423 -0.626 -6.073 244 1HG LYS 31 2HG LYS 31 -4.521 0.014 -7.264 245 2HG LYS 31 1HG LYS 31 -4.419 1.614 -6.530 246 1HD LYS 31 2HD LYS 31 -2.190 1.929 -7.588 247 2HD LYS 31 1HD LYS 31 -2.358 0.356 -8.367 248 1HE LYS 31 2HE LYS 31 -3.597 1.281 -10.025 249 2HE LYS 31 1HE LYS 31 -4.733 1.951 -8.840 250 1HZ LYS 31 1HZ LYS 31 -3.078 3.708 -8.386 251 2HZ LYS 31 3HZ LYS 31 -2.107 3.104 -9.638 252 3HZ LYS 31 2HZ LYS 31 -3.638 3.751 -9.988 253 H LEU 32 HN LEU 32 -2.520 0.771 -2.899 254 HA LEU 32 HA LEU 32 -1.916 -1.822 -1.509 255 1HB LEU 32 2HB LEU 32 -0.103 -0.694 -2.942 256 2HB LEU 32 1HB LEU 32 -0.090 0.580 -1.723 257 HG LEU 32 HG LEU 32 0.506 -1.003 0.013 258 1HD1 LEU 32 1HD1 LEU 32 -0.377 -2.932 -2.043 259 2HD1 LEU 32 3HD1 LEU 32 1.066 -3.415 -1.151 260 3HD1 LEU 32 2HD1 LEU 32 -0.428 -3.059 -0.285 261 1HD2 LEU 32 1HD2 LEU 32 2.216 -0.176 -1.848 262 2HD2 LEU 32 3HD2 LEU 32 2.714 -1.332 -0.615 263 3HD2 LEU 32 2HD2 LEU 32 2.280 -1.896 -2.228 264 H ARG 33 HN ARG 33 -2.194 -1.791 0.713 265 HA ARG 33 HA ARG 33 -3.347 0.657 1.917 266 1HB ARG 33 2HB ARG 33 -2.938 -2.190 2.897 267 2HB ARG 33 1HB ARG 33 -3.841 -0.949 3.767 268 1HG ARG 33 2HG ARG 33 -5.341 -0.719 1.775 269 2HG ARG 33 1HG ARG 33 -4.489 -2.069 1.024 270 1HD ARG 33 2HD ARG 33 -5.908 -2.205 3.707 271 2HD ARG 33 1HD ARG 33 -6.562 -2.831 2.182 272 HE ARG 33 HE ARG 33 -4.126 -3.869 3.568 273 1HH1 ARG 33 1HH1 ARG 33 -4.136 -4.006 0.517 274 2HH1 ARG 33 2HH1 ARG 33 -4.758 -5.601 0.259 275 1HH2 ARG 33 1HH2 ARG 33 -5.959 -5.943 3.494 276 2HH2 ARG 33 2HH2 ARG 33 -5.790 -6.699 1.945 277 H ASN 34 HN ASN 34 -1.864 2.098 2.741 278 HA ASN 34 HA ASN 34 0.324 1.009 4.459 279 1HB ASN 34 2HB ASN 34 0.611 3.140 2.318 280 2HB ASN 34 1HB ASN 34 1.907 2.494 3.324 281 1HD2 ASN 34 1HD2 ASN 34 1.377 2.343 0.279 282 2HD2 ASN 34 2HD2 ASN 34 1.506 0.686 -0.072 283 H PHE 35 HN PHE 35 -2.330 2.916 4.351 284 HA PHE 35 HA PHE 35 -1.174 5.128 5.993 285 1HB PHE 35 2HB PHE 35 -3.840 4.700 4.607 286 2HB PHE 35 1HB PHE 35 -3.432 6.139 5.542 287 HD1 PHE 35 HD1 PHE 35 -1.679 7.694 4.771 288 HD2 PHE 35 HD2 PHE 35 -2.839 4.280 2.438 289 HE1 PHE 35 HE1 PHE 35 -0.529 8.654 2.794 290 HE2 PHE 35 HE2 PHE 35 -1.689 5.239 0.462 291 HZ PHE 35 HZ PHE 35 -0.534 7.426 0.639 292 H ALA 36 HN ALA 36 -1.448 2.464 7.146 293 HA ALA 36 HA ALA 36 -3.759 1.907 8.608 294 1HB ALA 36 3HB ALA 36 -0.971 1.793 9.774 295 2HB ALA 36 2HB ALA 36 -2.297 0.653 10.007 296 3HB ALA 36 1HB ALA 36 -1.464 0.730 8.455 297 HA PRO 37 HA PRO 37 -4.396 5.272 11.379 298 1HB PRO 37 2HB PRO 37 -5.232 3.540 13.513 299 2HB PRO 37 1HB PRO 37 -6.246 4.457 12.397 300 1HG PRO 37 2HG PRO 37 -5.872 1.626 12.483 301 2HG PRO 37 1HG PRO 37 -6.820 2.551 11.318 302 1HD PRO 37 2HD PRO 37 -4.262 1.222 10.915 303 2HD PRO 37 1HD PRO 37 -5.285 2.036 9.709 304 H ILE 38 HN ILE 38 -1.944 3.072 11.728 305 HA ILE 38 HA ILE 38 0.065 3.205 12.970 306 HB ILE 38 HB ILE 38 -1.242 5.480 14.473 307 1HG1 ILE 38 2HG1 ILE 38 0.382 6.244 12.167 308 2HG1 ILE 38 1HG1 ILE 38 -1.064 5.351 11.694 309 1HG2 ILE 38 2HG2 ILE 38 0.970 4.637 15.232 310 2HG2 ILE 38 1HG2 ILE 38 1.618 4.942 13.620 311 3HG2 ILE 38 3HG2 ILE 38 1.066 6.289 14.618 312 1HD1 ILE 38 3HD1 ILE 38 -1.405 7.454 13.775 313 2HD1 ILE 38 2HD1 ILE 38 -1.091 8.008 12.132 314 3HD1 ILE 38 1HD1 ILE 38 -2.488 6.984 12.466 315 HA PRO 39 HA PRO 39 -1.257 0.612 16.308 316 1HB PRO 39 2HB PRO 39 1.410 0.648 17.382 317 2HB PRO 39 1HB PRO 39 0.640 -0.621 16.428 318 1HG PRO 39 2HG PRO 39 2.727 1.162 15.611 319 2HG PRO 39 1HG PRO 39 1.927 -0.078 14.643 320 1HD PRO 39 2HD PRO 39 1.647 2.801 14.451 321 2HD PRO 39 1HD PRO 39 0.898 1.552 13.428 322 H GLY 40 HN GLY 40 -1.019 0.656 18.799 323 1HA GLY 40 1HA GLY 40 -0.360 3.328 19.891 324 2HA GLY 40 2HA GLY 40 -0.699 1.882 20.841 325 H GLU 41 HN GLU 41 -3.100 1.496 18.894 326 HA GLU 41 HA GLU 41 -4.932 3.306 20.420 327 1HB GLU 41 2HB GLU 41 -6.183 3.523 18.215 328 2HB GLU 41 1HB GLU 41 -4.602 4.303 18.251 329 1HG GLU 41 2HG GLU 41 -3.587 2.421 17.097 330 2HG GLU 41 1HG GLU 41 -5.094 1.508 17.184 331 HA PRO 42 HA PRO 42 -6.157 -1.175 20.689 332 1HB PRO 42 2HB PRO 42 -7.164 -0.488 23.296 333 2HB PRO 42 1HB PRO 42 -5.782 -1.513 22.898 334 1HG PRO 42 2HG PRO 42 -5.752 1.129 24.025 335 2HG PRO 42 1HG PRO 42 -4.372 0.102 23.630 336 1HD PRO 42 2HD PRO 42 -5.255 2.487 22.263 337 2HD PRO 42 1HD PRO 42 -3.866 1.450 21.861 338 H VAL 43 HN VAL 43 -8.196 -1.729 19.952 339 HA VAL 43 HA VAL 43 -10.416 0.235 20.422 340 HB VAL 43 HB VAL 43 -11.222 -0.479 18.198 341 1HG1 VAL 43 3HG1 VAL 43 -9.380 1.312 18.573 342 2HG1 VAL 43 2HG1 VAL 43 -8.275 0.101 17.922 343 3HG1 VAL 43 1HG1 VAL 43 -9.610 0.696 16.936 344 1HG2 VAL 43 2HG2 VAL 43 -9.250 -2.588 18.676 345 2HG2 VAL 43 1HG2 VAL 43 -10.613 -2.564 17.558 346 3HG2 VAL 43 3HG2 VAL 43 -9.071 -1.848 17.086 347 H VAL 44 HN VAL 44 -10.135 -1.640 22.384 348 HA VAL 44 HA VAL 44 -12.592 -3.204 22.101 349 HB VAL 44 HB VAL 44 -10.989 -4.605 20.894 350 1HG1 VAL 44 1HG1 VAL 44 -9.227 -3.687 22.987 351 2HG1 VAL 44 3HG1 VAL 44 -9.233 -5.451 22.944 352 3HG1 VAL 44 2HG1 VAL 44 -8.821 -4.535 21.494 353 1HG2 VAL 44 1HG2 VAL 44 -12.289 -5.387 23.381 354 2HG2 VAL 44 3HG2 VAL 44 -12.189 -6.259 21.853 355 3HG2 VAL 44 2HG2 VAL 44 -10.889 -6.402 23.035 356 HA PRO 45 HA PRO 45 -10.913 -1.928 26.384 357 1HB PRO 45 2HB PRO 45 -13.291 -0.332 26.668 358 2HB PRO 45 1HB PRO 45 -11.615 0.220 26.607 359 1HG PRO 45 2HG PRO 45 -13.650 0.508 24.594 360 2HG PRO 45 1HG PRO 45 -11.979 1.077 24.541 361 1HD PRO 45 2HD PRO 45 -13.149 -1.102 23.057 362 2HD PRO 45 1HD PRO 45 -11.461 -0.542 23.026 363 H ILE 46 HN ILE 46 -14.132 -2.622 25.066 364 HA ILE 46 HA ILE 46 -14.605 -4.498 27.354 365 HB ILE 46 HB ILE 46 -16.843 -3.648 27.547 366 1HG1 ILE 46 2HG1 ILE 46 -16.265 -1.954 25.097 367 2HG1 ILE 46 1HG1 ILE 46 -17.211 -3.443 25.077 368 1HG2 ILE 46 1HG2 ILE 46 -14.933 -2.221 28.449 369 2HG2 ILE 46 3HG2 ILE 46 -15.131 -1.207 27.019 370 3HG2 ILE 46 2HG2 ILE 46 -16.453 -1.368 28.176 371 1HD1 ILE 46 1HD1 ILE 46 -18.046 -1.491 27.129 372 2HD1 ILE 46 3HD1 ILE 46 -18.272 -0.946 25.468 373 3HD1 ILE 46 2HD1 ILE 46 -19.028 -2.441 26.014 374 H LEU 47 HN LEU 47 -14.968 -3.732 23.947 375 HA LEU 47 HA LEU 47 -15.136 -6.436 23.096 376 1HB LEU 47 2HB LEU 47 -17.514 -5.372 24.289 377 2HB LEU 47 1HB LEU 47 -17.829 -5.642 22.575 378 HG LEU 47 HG LEU 47 -16.608 -7.693 24.446 379 1HD1 LEU 47 1HD1 LEU 47 -19.251 -6.861 24.363 380 2HD1 LEU 47 3HD1 LEU 47 -19.237 -8.251 23.278 381 3HD1 LEU 47 2HD1 LEU 47 -18.691 -8.428 24.946 382 1HD2 LEU 47 1HD2 LEU 47 -16.974 -7.493 21.543 383 2HD2 LEU 47 3HD2 LEU 47 -15.963 -8.598 22.473 384 3HD2 LEU 47 2HD2 LEU 47 -17.671 -8.963 22.225 385 H CYS 48 HN CYS 48 -13.786 -5.460 21.459 386 HA CYS 48 HA CYS 48 -13.324 -4.210 19.487 387 1HB CYS 48 2HB CYS 48 -16.080 -5.396 19.027 388 2HB CYS 48 1HB CYS 48 -14.996 -4.843 17.751 389 H SER 49 HN SER 49 -13.357 -1.998 20.128 390 HA SER 49 HA SER 49 -15.599 -0.418 20.765 391 1HB SER 49 2HB SER 49 -13.109 0.352 19.210 392 2HB SER 49 1HB SER 49 -14.122 1.445 20.155 393 HG SER 49 HG SER 49 -12.315 0.765 21.347 394 H ASN 50 HN ASN 50 -14.088 -0.862 17.553 395 HA ASN 50 HA ASN 50 -16.098 0.646 16.129 396 1HB ASN 50 2HB ASN 50 -13.750 -1.094 15.588 397 2HB ASN 50 1HB ASN 50 -14.912 -0.931 14.272 398 1HD2 ASN 50 1HD2 ASN 50 -15.478 1.384 13.650 399 2HD2 ASN 50 2HD2 ASN 50 -14.286 2.575 13.832 400 HA PRO 51 HA PRO 51 -19.116 -2.708 16.441 401 1HB PRO 51 2HB PRO 51 -20.857 -1.061 14.851 402 2HB PRO 51 1HB PRO 51 -20.958 -1.392 16.583 403 1HG PRO 51 2HG PRO 51 -20.203 1.060 15.308 404 2HG PRO 51 1HG PRO 51 -20.254 0.714 17.038 405 1HD PRO 51 2HD PRO 51 -17.923 1.041 15.347 406 2HD PRO 51 1HD PRO 51 -17.977 0.764 17.103 407 H ASN 52 HN ASN 52 -17.539 -1.270 13.771 408 HA ASN 52 HA ASN 52 -18.496 -3.475 11.979 409 1HB ASN 52 2HB ASN 52 -17.924 -0.564 11.345 410 2HB ASN 52 1HB ASN 52 -18.346 -1.786 10.146 411 1HD2 ASN 52 1HD2 ASN 52 -20.268 -3.136 12.008 412 2HD2 ASN 52 2HD2 ASN 52 -21.626 -2.123 12.081 413 H PHE 53 HN PHE 53 -16.074 -3.348 13.684 414 HA PHE 53 HA PHE 53 -13.813 -2.771 11.900 415 1HB PHE 53 2HB PHE 53 -12.536 -3.192 13.814 416 2HB PHE 53 1HB PHE 53 -14.077 -2.746 14.546 417 HD1 PHE 53 HD1 PHE 53 -15.784 -5.004 14.371 418 HD2 PHE 53 HD2 PHE 53 -11.529 -4.949 14.965 419 HE1 PHE 53 HE1 PHE 53 -15.908 -7.220 15.472 420 HE2 PHE 53 HE2 PHE 53 -11.655 -7.174 16.068 421 HZ PHE 53 HZ PHE 53 -13.845 -8.302 16.319 422 HA PRO 54 HA PRO 54 -13.149 -6.687 10.031 423 1HB PRO 54 2HB PRO 54 -10.823 -7.563 11.493 424 2HB PRO 54 1HB PRO 54 -10.889 -6.849 9.880 425 1HG PRO 54 2HG PRO 54 -9.950 -5.638 12.318 426 2HG PRO 54 1HG PRO 54 -9.986 -4.937 10.699 427 1HD PRO 54 2HD PRO 54 -11.643 -4.253 12.943 428 2HD PRO 54 1HD PRO 54 -11.728 -3.587 11.295 429 H GLU 55 HN GLU 55 -15.134 -7.234 11.410 430 HA GLU 55 HA GLU 55 -15.317 -8.448 13.850 431 1HB GLU 55 2HB GLU 55 -17.120 -8.086 12.169 432 2HB GLU 55 1HB GLU 55 -16.535 -9.495 11.277 433 1HG GLU 55 2HG GLU 55 -16.899 -10.891 13.315 434 2HG GLU 55 1HG GLU 55 -17.579 -9.479 14.127 435 H GLU 56 HN GLU 56 -13.694 -9.799 11.034 436 HA GLU 56 HA GLU 56 -13.522 -12.530 11.806 437 1HB GLU 56 2HB GLU 56 -11.561 -10.674 10.410 438 2HB GLU 56 1HB GLU 56 -11.420 -12.431 10.424 439 1HG GLU 56 2HG GLU 56 -13.692 -12.577 9.391 440 2HG GLU 56 1HG GLU 56 -13.721 -10.817 9.284 441 H LEU 57 HN LEU 57 -12.257 -9.695 13.245 442 HA LEU 57 HA LEU 57 -10.088 -11.085 14.708 443 1HB LEU 57 2HB LEU 57 -11.138 -8.236 14.668 444 2HB LEU 57 1HB LEU 57 -9.720 -8.760 15.576 445 HG LEU 57 HG LEU 57 -10.079 -8.936 12.568 446 1HD1 LEU 57 1HD1 LEU 57 -9.557 -6.682 13.851 447 2HD1 LEU 57 3HD1 LEU 57 -7.939 -7.373 13.973 448 3HD1 LEU 57 2HD1 LEU 57 -8.664 -7.099 12.389 449 1HD2 LEU 57 1HD2 LEU 57 -8.765 -10.815 13.492 450 2HD2 LEU 57 3HD2 LEU 57 -7.742 -9.718 12.565 451 3HD2 LEU 57 2HD2 LEU 57 -7.718 -9.670 14.328 452 H LYS 58 HN LYS 58 -13.254 -11.300 15.026 453 HA LYS 58 HA LYS 58 -14.244 -10.377 17.406 454 1HB LYS 58 2HB LYS 58 -15.035 -12.193 15.646 455 2HB LYS 58 1HB LYS 58 -14.408 -13.321 16.846 456 1HG LYS 58 2HG LYS 58 -15.942 -11.305 18.194 457 2HG LYS 58 1HG LYS 58 -16.908 -11.968 16.875 458 1HD LYS 58 2HD LYS 58 -16.256 -14.278 17.708 459 2HD LYS 58 1HD LYS 58 -15.576 -13.490 19.130 460 1HE LYS 58 2HE LYS 58 -18.090 -12.333 18.946 461 2HE LYS 58 1HE LYS 58 -18.387 -14.015 18.471 462 1HZ LYS 58 1HZ LYS 58 -16.860 -14.586 20.418 463 2HZ LYS 58 3HZ LYS 58 -17.116 -12.993 20.944 464 3HZ LYS 58 2HZ LYS 58 -18.431 -14.061 20.797 465 HA PRO 59 HA PRO 59 -11.822 -13.873 19.819 466 1HB PRO 59 2HB PRO 59 -9.385 -14.227 18.325 467 2HB PRO 59 1HB PRO 59 -10.611 -15.438 18.709 468 1HG PRO 59 2HG PRO 59 -10.076 -14.169 16.166 469 2HG PRO 59 1HG PRO 59 -11.233 -15.453 16.527 470 1HD PRO 59 2HD PRO 59 -11.822 -12.738 15.890 471 2HD PRO 59 1HD PRO 59 -12.972 -13.983 16.420 472 H LEU 60 HN LEU 60 -9.828 -11.667 17.791 473 HA LEU 60 HA LEU 60 -7.903 -10.840 19.615 474 1HB LEU 60 2HB LEU 60 -8.307 -10.138 17.202 475 2HB LEU 60 1HB LEU 60 -9.513 -9.008 17.817 476 HG LEU 60 HG LEU 60 -7.602 -8.201 19.397 477 1HD1 LEU 60 3HD1 LEU 60 -6.223 -10.011 17.489 478 2HD1 LEU 60 2HD1 LEU 60 -5.434 -8.464 17.803 479 3HD1 LEU 60 1HD1 LEU 60 -5.781 -9.565 19.137 480 1HD2 LEU 60 1HD2 LEU 60 -8.612 -7.288 17.022 481 2HD2 LEU 60 3HD2 LEU 60 -7.419 -6.420 17.988 482 3HD2 LEU 60 2HD2 LEU 60 -6.897 -7.424 16.636 483 H CYS 61 HN CYS 61 -11.156 -9.373 19.221 484 HA CYS 61 HA CYS 61 -10.925 -7.614 21.476 485 1HB CYS 61 2HB CYS 61 -13.284 -8.812 19.996 486 2HB CYS 61 1HB CYS 61 -13.406 -7.468 21.129 487 H LYS 62 HN LYS 62 -11.994 -10.965 21.137 488 HA LYS 62 HA LYS 62 -13.180 -11.097 23.806 489 1HB LYS 62 2HB LYS 62 -13.863 -12.450 21.807 490 2HB LYS 62 1HB LYS 62 -12.313 -13.286 21.891 491 1HG LYS 62 2HG LYS 62 -12.856 -14.010 24.208 492 2HG LYS 62 1HG LYS 62 -14.430 -13.228 24.064 493 1HD LYS 62 2HD LYS 62 -14.955 -14.689 22.125 494 2HD LYS 62 1HD LYS 62 -13.399 -15.494 22.328 495 1HE LYS 62 2HE LYS 62 -15.291 -15.320 24.667 496 2HE LYS 62 1HE LYS 62 -15.521 -16.574 23.434 497 1HZ LYS 62 1HZ LYS 62 -12.922 -15.996 24.759 498 2HZ LYS 62 3HZ LYS 62 -13.978 -17.222 25.266 499 3HZ LYS 62 2HZ LYS 62 -13.275 -17.294 23.722 500 H GLU 63 HN GLU 63 -10.008 -10.789 22.898 501 HA GLU 63 HA GLU 63 -9.085 -12.458 25.214 502 1HB GLU 63 2HB GLU 63 -7.083 -12.943 23.872 503 2HB GLU 63 1HB GLU 63 -8.530 -13.401 22.974 504 1HG GLU 63 2HG GLU 63 -8.401 -11.486 21.577 505 2HG GLU 63 1HG GLU 63 -7.265 -10.677 22.655 506 HA PRO 64 HA PRO 64 -7.465 -8.679 26.805 507 1HB PRO 64 2HB PRO 64 -5.264 -10.055 28.044 508 2HB PRO 64 1HB PRO 64 -6.757 -9.491 28.796 509 1HG PRO 64 2HG PRO 64 -5.985 -12.196 28.241 510 2HG PRO 64 1HG PRO 64 -7.492 -11.629 28.965 511 1HD PRO 64 2HD PRO 64 -7.085 -12.713 26.311 512 2HD PRO 64 1HD PRO 64 -8.611 -12.184 27.058 513 H ASN 65 HN ASN 65 -5.638 -10.845 24.797 514 HA ASN 65 HA ASN 65 -3.255 -9.160 24.595 515 1HB ASN 65 2HB ASN 65 -4.306 -11.458 22.912 516 2HB ASN 65 1HB ASN 65 -2.662 -10.822 22.861 517 1HD2 ASN 65 1HD2 ASN 65 -2.186 -10.436 25.636 518 2HD2 ASN 65 2HD2 ASN 65 -2.203 -11.945 26.414 519 H ALA 66 HN ALA 66 -6.395 -8.987 23.283 520 HA ALA 66 HA ALA 66 -6.121 -8.177 20.627 521 1HB ALA 66 1HB ALA 66 -8.036 -8.097 22.653 522 2HB ALA 66 2HB ALA 66 -8.289 -7.599 20.980 523 3HB ALA 66 3HB ALA 66 -7.839 -6.405 22.198 524 H GLN 67 HN GLN 67 -5.567 -6.233 23.558 525 HA GLN 67 HA GLN 67 -5.023 -3.735 22.318 526 1HB GLN 67 2HB GLN 67 -5.404 -4.227 24.747 527 2HB GLN 67 1HB GLN 67 -3.798 -4.951 24.815 528 1HG GLN 67 2HG GLN 67 -2.797 -2.809 24.117 529 2HG GLN 67 1HG GLN 67 -4.402 -2.083 24.028 530 1HE2 GLN 67 1HE2 GLN 67 -2.719 -0.820 25.772 531 2HE2 GLN 67 2HE2 GLN 67 -3.087 -1.211 27.382 532 H GLU 68 HN GLU 68 -2.815 -6.434 23.138 533 HA GLU 68 HA GLU 68 -0.474 -5.055 22.049 534 1HB GLU 68 2HB GLU 68 -1.062 -7.890 22.955 535 2HB GLU 68 1HB GLU 68 0.542 -7.327 22.488 536 1HG GLU 68 2HG GLU 68 0.379 -5.546 24.235 537 2HG GLU 68 1HG GLU 68 -1.164 -6.233 24.744 538 H ILE 69 HN ILE 69 -2.674 -7.643 20.983 539 HA ILE 69 HA ILE 69 -1.273 -8.276 18.543 540 HB ILE 69 HB ILE 69 -4.210 -8.510 19.281 541 1HG1 ILE 69 2HG1 ILE 69 -1.951 -10.504 19.641 542 2HG1 ILE 69 1HG1 ILE 69 -2.656 -9.543 20.941 543 1HG2 ILE 69 3HG2 ILE 69 -2.481 -9.963 17.252 544 2HG2 ILE 69 2HG2 ILE 69 -4.130 -10.425 17.670 545 3HG2 ILE 69 1HG2 ILE 69 -3.819 -8.872 16.897 546 1HD1 ILE 69 1HD1 ILE 69 -4.870 -10.547 20.475 547 2HD1 ILE 69 3HD1 ILE 69 -4.153 -11.521 19.192 548 3HD1 ILE 69 2HD1 ILE 69 -3.678 -11.785 20.869 549 H LEU 70 HN LEU 70 -4.100 -6.191 19.225 550 HA LEU 70 HA LEU 70 -4.692 -5.272 16.650 551 1HB LEU 70 2HB LEU 70 -6.034 -4.715 18.574 552 2HB LEU 70 1HB LEU 70 -4.676 -3.912 19.360 553 HG LEU 70 HG LEU 70 -6.456 -2.428 18.186 554 1HD1 LEU 70 1HD1 LEU 70 -3.864 -2.017 18.828 555 2HD1 LEU 70 3HD1 LEU 70 -3.775 -1.771 17.084 556 3HD1 LEU 70 2HD1 LEU 70 -4.864 -0.784 18.059 557 1HD2 LEU 70 1HD2 LEU 70 -6.524 -3.776 16.101 558 2HD2 LEU 70 3HD2 LEU 70 -6.082 -2.098 15.785 559 3HD2 LEU 70 2HD2 LEU 70 -4.841 -3.351 15.790 560 H GLN 71 HN GLN 71 -2.456 -3.683 18.972 561 HA GLN 71 HA GLN 71 -1.461 -1.626 17.384 562 1HB GLN 71 2HB GLN 71 -0.936 -2.185 19.775 563 2HB GLN 71 1HB GLN 71 0.128 -3.466 19.198 564 1HG GLN 71 2HG GLN 71 1.487 -1.813 17.986 565 2HG GLN 71 1HG GLN 71 0.409 -0.523 18.521 566 1HE2 GLN 71 1HE2 GLN 71 1.260 0.581 20.281 567 2HE2 GLN 71 2HE2 GLN 71 2.210 -0.111 21.506 568 H ARG 72 HN ARG 72 -0.127 -4.946 17.565 569 HA ARG 72 HA ARG 72 1.896 -4.696 15.613 570 1HB ARG 72 2HB ARG 72 0.077 -7.016 16.336 571 2HB ARG 72 1HB ARG 72 1.587 -7.176 15.438 572 1HG ARG 72 2HG ARG 72 2.775 -6.094 17.368 573 2HG ARG 72 1HG ARG 72 1.258 -6.130 18.266 574 1HD ARG 72 2HD ARG 72 1.196 -8.636 17.896 575 2HD ARG 72 1HD ARG 72 2.838 -8.510 17.238 576 HE ARG 72 HE ARG 72 2.394 -7.238 19.871 577 1HH1 ARG 72 1HH1 ARG 72 4.823 -8.582 18.247 578 2HH1 ARG 72 2HH1 ARG 72 5.246 -9.801 19.402 579 1HH2 ARG 72 1HH2 ARG 72 2.363 -9.396 21.285 580 2HH2 ARG 72 2HH2 ARG 72 3.853 -10.263 21.121 581 H LEU 73 HN LEU 73 -1.479 -5.824 15.144 582 HA LEU 73 HA LEU 73 -1.431 -6.207 12.355 583 1HB LEU 73 2HB LEU 73 -3.613 -5.101 14.154 584 2HB LEU 73 1HB LEU 73 -3.879 -5.793 12.553 585 HG LEU 73 HG LEU 73 -2.765 -7.219 14.985 586 1HD1 LEU 73 2HD1 LEU 73 -5.306 -7.521 13.357 587 2HD1 LEU 73 1HD1 LEU 73 -4.789 -8.657 14.604 588 3HD1 LEU 73 3HD1 LEU 73 -5.185 -6.994 15.035 589 1HD2 LEU 73 3HD2 LEU 73 -2.700 -7.838 12.077 590 2HD2 LEU 73 2HD2 LEU 73 -1.596 -8.337 13.357 591 3HD2 LEU 73 1HD2 LEU 73 -3.139 -9.166 13.150 592 H GLU 74 HN GLU 74 -2.365 -3.226 14.121 593 HA GLU 74 HA GLU 74 -2.811 -1.549 11.897 594 1HB GLU 74 2HB GLU 74 -1.568 -0.883 14.587 595 2HB GLU 74 1HB GLU 74 -2.405 0.250 13.525 596 1HG GLU 74 2HG GLU 74 -4.435 -1.283 13.700 597 2HG GLU 74 1HG GLU 74 -3.579 -2.119 14.996 598 H GLU 75 HN GLU 75 0.254 -2.366 13.541 599 HA GLU 75 HA GLU 75 1.919 -0.479 12.178 600 1HB GLU 75 2HB GLU 75 2.406 -1.786 14.267 601 2HB GLU 75 1HB GLU 75 2.587 -3.228 13.270 602 1HG GLU 75 2HG GLU 75 4.369 -2.038 11.968 603 2HG GLU 75 1HG GLU 75 4.246 -0.695 13.105 604 H ILE 76 HN ILE 76 1.442 -3.983 11.541 605 HA ILE 76 HA ILE 76 3.014 -4.073 9.155 606 HB ILE 76 HB ILE 76 0.580 -5.707 9.949 607 1HG1 ILE 76 2HG1 ILE 76 2.083 -5.733 11.811 608 2HG1 ILE 76 1HG1 ILE 76 2.389 -7.228 10.925 609 1HG2 ILE 76 2HG2 ILE 76 2.924 -6.192 8.097 610 2HG2 ILE 76 1HG2 ILE 76 1.907 -7.499 8.705 611 3HG2 ILE 76 3HG2 ILE 76 1.206 -6.232 7.699 612 1HD1 ILE 76 1HD1 ILE 76 4.138 -5.629 9.652 613 2HD1 ILE 76 3HD1 ILE 76 4.102 -4.803 11.211 614 3HD1 ILE 76 2HD1 ILE 76 4.566 -6.503 11.123 615 H ALA 77 HN ALA 77 -0.415 -3.403 9.715 616 HA ALA 77 HA ALA 77 -1.271 -3.288 6.984 617 1HB ALA 77 2HB ALA 77 -2.187 -2.493 9.668 618 2HB ALA 77 3HB ALA 77 -3.103 -3.204 8.339 619 3HB ALA 77 1HB ALA 77 -2.815 -1.464 8.381 620 H GLU 78 HN GLU 78 0.470 -1.041 9.030 621 HA GLU 78 HA GLU 78 0.037 1.369 7.537 622 1HB GLU 78 2HB GLU 78 0.911 1.165 9.861 623 2HB GLU 78 1HB GLU 78 2.402 0.478 9.215 624 1HG GLU 78 2HG GLU 78 2.740 2.557 7.881 625 2HG GLU 78 1HG GLU 78 1.298 3.243 8.630 626 H ASP 79 HN ASP 79 2.448 -1.246 7.190 627 HA ASP 79 HA ASP 79 3.030 -0.327 4.457 628 1HB ASP 79 2HB ASP 79 4.415 0.801 6.572 629 2HB ASP 79 1HB ASP 79 5.494 -0.491 6.043 630 HA PRO 80 HA PRO 80 3.472 -4.864 4.926 631 1HB PRO 80 2HB PRO 80 2.836 -4.990 2.124 632 2HB PRO 80 1HB PRO 80 1.824 -5.468 3.488 633 1HG PRO 80 2HG PRO 80 1.448 -3.237 1.759 634 2HG PRO 80 1HG PRO 80 0.514 -3.639 3.200 635 1HD PRO 80 2HD PRO 80 2.481 -1.509 2.838 636 2HD PRO 80 1HD PRO 80 1.383 -1.786 4.210 637 H GLY 81 HN GLY 81 5.728 -3.122 4.630 638 1HA GLY 81 1HA GLY 81 7.950 -3.247 3.876 639 2HA GLY 81 2HA GLY 81 7.226 -3.309 2.270 640 H THR 82 HN THR 82 8.020 -5.397 5.054 641 HA THR 82 HA THR 82 9.261 -7.404 3.393 642 HB THR 82 HB THR 82 9.373 -8.617 5.543 643 HG1 THR 82 1HG THR 82 7.655 -8.336 6.714 644 1HG2 THR 82 2HG2 THR 82 10.799 -6.543 5.012 645 2HG2 THR 82 1HG2 THR 82 9.735 -5.679 6.123 646 3HG2 THR 82 3HG2 THR 82 10.700 -7.036 6.704 647 H CYS 83 HN CYS 83 6.299 -7.592 5.390 648 HA CYS 83 HA CYS 83 5.266 -10.026 4.704 649 1HB CYS 83 2HB CYS 83 3.526 -9.101 5.809 650 2HB CYS 83 1HB CYS 83 4.357 -7.556 5.705 651 H GLU 84 HN GLU 84 4.932 -7.090 2.666 652 HA GLU 84 HA GLU 84 3.467 -8.342 0.555 653 1HB GLU 84 2HB GLU 84 3.757 -5.894 0.981 654 2HB GLU 84 1HB GLU 84 5.430 -6.032 0.444 655 1HG GLU 84 2HG GLU 84 4.579 -6.938 -1.743 656 2HG GLU 84 1HG GLU 84 2.940 -6.591 -1.195 657 H ILE 85 HN ILE 85 6.893 -8.354 1.348 658 HA ILE 85 HA ILE 85 7.484 -9.631 -1.294 659 HB ILE 85 HB ILE 85 9.805 -8.991 -0.770 660 1HG1 ILE 85 2HG1 ILE 85 8.621 -7.957 1.821 661 2HG1 ILE 85 1HG1 ILE 85 9.701 -9.343 1.670 662 1HG2 ILE 85 2HG2 ILE 85 8.180 -7.325 -1.759 663 2HG2 ILE 85 1HG2 ILE 85 7.933 -6.695 -0.131 664 3HG2 ILE 85 3HG2 ILE 85 9.524 -6.592 -0.883 665 1HD1 ILE 85 3HD1 ILE 85 11.003 -7.262 0.314 666 2HD1 ILE 85 2HD1 ILE 85 10.339 -6.508 1.763 667 3HD1 ILE 85 1HD1 ILE 85 11.417 -7.895 1.907 668 H CYS 86 HN CYS 86 6.335 -10.798 1.378 669 HA CYS 86 HA CYS 86 6.524 -12.864 2.505 670 1HB CYS 86 2HB CYS 86 7.451 -13.118 -0.186 671 2HB CYS 86 1HB CYS 86 8.493 -14.105 0.838 672 H ALA 87 HN ALA 87 8.721 -10.581 2.681 673 HA ALA 87 HA ALA 87 11.213 -11.775 3.363 674 1HB ALA 87 2HB ALA 87 10.932 -9.561 5.000 675 2HB ALA 87 3HB ALA 87 9.761 -9.242 3.720 676 3HB ALA 87 1HB ALA 87 11.457 -9.513 3.317 677 H TYR 88 HN TYR 88 8.178 -11.631 5.087 678 HA TYR 88 HA TYR 88 9.413 -13.191 7.314 679 1HB TYR 88 2HB TYR 88 7.843 -10.613 7.429 680 2HB TYR 88 1HB TYR 88 7.930 -11.694 8.821 681 HD1 TYR 88 HD1 TYR 88 10.508 -12.674 9.097 682 HD2 TYR 88 HD2 TYR 88 9.360 -8.854 7.502 683 HE1 TYR 88 HE1 TYR 88 12.745 -11.766 9.662 684 HE2 TYR 88 HE2 TYR 88 11.598 -7.947 8.068 685 HH TYR 88 HH TYR 88 14.146 -10.035 9.393 686 H ALA 89 HN ALA 89 7.616 -14.173 8.706 687 HA ALA 89 HA ALA 89 5.636 -15.441 6.971 688 1HB ALA 89 2HB ALA 89 6.513 -16.855 8.600 689 2HB ALA 89 3HB ALA 89 5.025 -16.340 9.393 690 3HB ALA 89 1HB ALA 89 6.559 -15.583 9.819 691 H ALA 90 HN ALA 90 5.648 -12.431 8.270 692 HA ALA 90 HA ALA 90 3.141 -12.200 9.633 693 1HB ALA 90 3HB ALA 90 5.247 -10.536 8.517 694 2HB ALA 90 1HB ALA 90 4.190 -10.213 9.892 695 3HB ALA 90 2HB ALA 90 3.662 -9.805 8.259 696 H CYS 91 HN CYS 91 3.998 -11.814 6.178 697 HA CYS 91 HA CYS 91 1.133 -11.447 5.494 698 1HB CYS 91 2HB CYS 91 3.750 -10.809 4.394 699 2HB CYS 91 1HB CYS 91 2.691 -11.514 3.177 700 H THR 92 HN THR 92 -0.082 -13.090 4.618 701 HA THR 92 HA THR 92 1.333 -15.638 3.908 702 HB THR 92 HB THR 92 -0.686 -16.740 4.709 703 HG1 THR 92 1HG THR 92 -2.446 -15.642 4.475 704 1HG2 THR 92 2HG2 THR 92 0.580 -14.637 6.420 705 2HG2 THR 92 1HG2 THR 92 -0.808 -15.517 7.057 706 3HG2 THR 92 3HG2 THR 92 0.643 -16.393 6.571 707 H GLY 93 HN GLY 93 0.486 -16.799 2.060 708 1HA GLY 93 1HA GLY 93 -1.398 -15.277 0.325 709 2HA GLY 93 2HA GLY 93 -1.039 -16.998 0.168 710 H CYS 94 HN CYS 94 1.770 -15.246 0.797 711 HA CYS 94 HA CYS 94 2.665 -13.965 -1.444 712 1HB CYS 94 2HB CYS 94 3.759 -15.460 0.722 713 2HB CYS 94 1HB CYS 94 4.636 -15.928 -0.734 No H/Q in entry = 713 Start of MODEL 26 1 H1 VAL 1 2H VAL 1 -2.821 -11.785 -0.244 2 H2 VAL 1 1H VAL 1 -1.505 -12.409 -1.117 3 H3 VAL 1 3H VAL 1 -2.419 -13.431 -0.120 4 HA VAL 1 HA VAL 1 -0.692 -13.067 1.304 5 HB VAL 1 HB VAL 1 0.349 -11.709 -0.563 6 1HG1 VAL 1 1HG1 VAL 1 -1.700 -10.011 -0.244 7 2HG1 VAL 1 3HG1 VAL 1 -0.546 -9.232 0.839 8 3HG1 VAL 1 2HG1 VAL 1 -0.136 -9.474 -0.858 9 1HG2 VAL 1 2HG2 VAL 1 0.817 -11.605 2.266 10 2HG2 VAL 1 1HG2 VAL 1 1.992 -11.480 0.957 11 3HG2 VAL 1 3HG2 VAL 1 1.200 -10.030 1.572 12 H THR 2 HN THR 2 -1.741 -12.966 3.268 13 HA THR 2 HA THR 2 -3.109 -10.388 3.974 14 HB THR 2 HB THR 2 -3.860 -13.227 4.738 15 HG1 THR 2 1HG THR 2 -4.687 -11.473 2.706 16 1HG2 THR 2 2HG2 THR 2 -4.817 -10.526 5.500 17 2HG2 THR 2 1HG2 THR 2 -6.068 -11.716 5.142 18 3HG2 THR 2 3HG2 THR 2 -4.877 -12.040 6.402 19 H VAL 3 HN VAL 3 -3.017 -9.830 6.244 20 HA VAL 3 HA VAL 3 -0.571 -10.822 7.598 21 HB VAL 3 HB VAL 3 -2.479 -8.508 7.853 22 1HG1 VAL 3 2HG1 VAL 3 -2.111 -9.402 10.151 23 2HG1 VAL 3 1HG1 VAL 3 -0.371 -9.262 9.899 24 3HG1 VAL 3 3HG1 VAL 3 -1.377 -7.815 9.924 25 1HG2 VAL 3 3HG2 VAL 3 0.534 -8.773 7.627 26 2HG2 VAL 3 2HG2 VAL 3 -0.568 -8.311 6.330 27 3HG2 VAL 3 1HG2 VAL 3 -0.339 -7.244 7.715 28 H GLN 4 HN GLN 4 -0.828 -12.566 8.969 29 HA GLN 4 HA GLN 4 -3.389 -12.720 10.528 30 1HB GLN 4 2HB GLN 4 -3.346 -15.108 10.175 31 2HB GLN 4 1HB GLN 4 -3.102 -14.340 8.606 32 1HG GLN 4 2HG GLN 4 -0.870 -14.955 8.500 33 2HG GLN 4 1HG GLN 4 -0.687 -14.995 10.253 34 1HE2 GLN 4 1HE2 GLN 4 -0.111 -17.151 10.688 35 2HE2 GLN 4 2HE2 GLN 4 -0.984 -18.503 10.147 36 H ASP 5 HN ASP 5 -3.068 -14.318 12.429 37 HA ASP 5 HA ASP 5 -0.350 -14.060 13.652 38 1HB ASP 5 2HB ASP 5 -3.047 -13.307 14.814 39 2HB ASP 5 1HB ASP 5 -1.578 -13.439 15.780 40 H GLY 6 HN GLY 6 -3.603 -15.347 14.350 41 1HA GLY 6 1HA GLY 6 -4.005 -17.344 15.676 42 2HA GLY 6 2HA GLY 6 -2.340 -17.840 15.367 43 H ASN 7 HN ASN 7 -5.102 -19.102 14.782 44 HA ASN 7 HA ASN 7 -4.343 -20.230 12.194 45 1HB ASN 7 2HB ASN 7 -6.192 -21.717 12.648 46 2HB ASN 7 1HB ASN 7 -5.361 -21.432 14.175 47 1HD2 ASN 7 1HD2 ASN 7 -6.945 -21.287 15.772 48 2HD2 ASN 7 2HD2 ASN 7 -8.381 -20.392 15.640 49 H PHE 8 HN PHE 8 -5.804 -17.366 12.964 50 HA PHE 8 HA PHE 8 -7.681 -17.452 10.629 51 1HB PHE 8 2HB PHE 8 -7.476 -15.640 13.055 52 2HB PHE 8 1HB PHE 8 -8.684 -15.471 11.782 53 HD1 PHE 8 HD1 PHE 8 -10.071 -17.638 11.229 54 HD2 PHE 8 HD2 PHE 8 -7.947 -16.994 14.906 55 HE1 PHE 8 HE1 PHE 8 -11.486 -19.341 12.344 56 HE2 PHE 8 HE2 PHE 8 -9.362 -18.697 16.022 57 HZ PHE 8 HZ PHE 8 -11.131 -19.871 14.740 58 H SER 9 HN SER 9 -7.584 -15.686 9.109 59 HA SER 9 HA SER 9 -4.958 -14.239 9.100 60 1HB SER 9 2HB SER 9 -6.850 -15.008 6.852 61 2HB SER 9 1HB SER 9 -5.275 -14.242 6.648 62 HG SER 9 HG SER 9 -5.539 -16.687 6.538 63 H PHE 10 HN PHE 10 -5.000 -12.003 9.015 64 HA PHE 10 HA PHE 10 -7.691 -10.691 8.811 65 1HB PHE 10 2HB PHE 10 -5.190 -9.750 10.248 66 2HB PHE 10 1HB PHE 10 -6.814 -9.078 10.398 67 HD1 PHE 10 HD1 PHE 10 -8.362 -11.684 10.404 68 HD2 PHE 10 HD2 PHE 10 -4.810 -10.475 12.498 69 HE1 PHE 10 HE1 PHE 10 -8.869 -13.313 12.205 70 HE2 PHE 10 HE2 PHE 10 -5.318 -12.103 14.298 71 HZ PHE 10 HZ PHE 10 -7.346 -13.522 14.151 72 H SER 11 HN SER 11 -7.914 -9.315 7.081 73 HA SER 11 HA SER 11 -5.738 -8.842 5.229 74 1HB SER 11 2HB SER 11 -8.469 -7.540 5.505 75 2HB SER 11 1HB SER 11 -7.468 -7.551 4.053 76 HG SER 11 HG SER 11 -8.012 -9.549 3.674 77 H LEU 12 HN LEU 12 -5.063 -6.593 4.586 78 HA LEU 12 HA LEU 12 -4.354 -5.019 6.971 79 1HB LEU 12 2HB LEU 12 -3.788 -4.657 4.010 80 2HB LEU 12 1HB LEU 12 -2.970 -3.811 5.322 81 HG LEU 12 HG LEU 12 -2.994 -6.821 4.954 82 1HD1 LEU 12 2HD1 LEU 12 -1.684 -5.317 3.274 83 2HD1 LEU 12 1HD1 LEU 12 -0.602 -5.019 4.635 84 3HD1 LEU 12 3HD1 LEU 12 -0.836 -6.662 4.037 85 1HD2 LEU 12 2HD2 LEU 12 -2.376 -5.124 7.179 86 2HD2 LEU 12 1HD2 LEU 12 -2.237 -6.879 7.072 87 3HD2 LEU 12 3HD2 LEU 12 -0.879 -5.857 6.603 88 H GLU 13 HN GLU 13 -6.648 -4.854 4.341 89 HA GLU 13 HA GLU 13 -7.193 -2.043 4.355 90 1HB GLU 13 2HB GLU 13 -7.863 -3.749 2.641 91 2HB GLU 13 1HB GLU 13 -9.057 -4.369 3.782 92 1HG GLU 13 2HG GLU 13 -10.108 -2.118 3.866 93 2HG GLU 13 1HG GLU 13 -8.940 -1.546 2.675 94 H SER 14 HN SER 14 -9.380 -4.565 5.675 95 HA SER 14 HA SER 14 -11.048 -2.991 7.223 96 1HB SER 14 2HB SER 14 -9.833 -5.581 8.208 97 2HB SER 14 1HB SER 14 -11.474 -4.988 8.466 98 HG SER 14 HG SER 14 -11.867 -5.244 6.263 99 H VAL 15 HN VAL 15 -7.948 -4.394 8.352 100 HA VAL 15 HA VAL 15 -7.935 -3.181 10.922 101 HB VAL 15 HB VAL 15 -5.773 -4.070 8.997 102 1HG1 VAL 15 2HG1 VAL 15 -5.236 -2.349 10.982 103 2HG1 VAL 15 1HG1 VAL 15 -5.271 -3.838 11.929 104 3HG1 VAL 15 3HG1 VAL 15 -4.144 -3.676 10.582 105 1HG2 VAL 15 2HG2 VAL 15 -7.526 -5.314 11.036 106 2HG2 VAL 15 1HG2 VAL 15 -6.756 -6.036 9.617 107 3HG2 VAL 15 3HG2 VAL 15 -5.830 -5.807 11.102 108 H LYS 16 HN LYS 16 -6.454 -2.074 7.844 109 HA LYS 16 HA LYS 16 -5.360 0.370 8.744 110 1HB LYS 16 2HB LYS 16 -4.859 -0.258 6.542 111 2HB LYS 16 1HB LYS 16 -6.528 -0.699 6.186 112 1HG LYS 16 2HG LYS 16 -6.153 1.325 4.992 113 2HG LYS 16 1HG LYS 16 -7.068 1.804 6.420 114 1HD LYS 16 2HD LYS 16 -4.909 2.364 7.554 115 2HD LYS 16 1HD LYS 16 -4.064 1.999 6.051 116 1HE LYS 16 2HE LYS 16 -6.315 3.836 5.639 117 2HE LYS 16 1HE LYS 16 -5.093 4.490 6.744 118 1HZ LYS 16 2HZ LYS 16 -3.582 3.282 4.873 119 2HZ LYS 16 1HZ LYS 16 -4.878 3.839 3.928 120 3HZ LYS 16 3HZ LYS 16 -3.973 4.934 4.854 121 H LYS 17 HN LYS 17 -8.571 -0.172 7.265 122 HA LYS 17 HA LYS 17 -9.566 2.445 8.140 123 1HB LYS 17 2HB LYS 17 -10.847 0.009 6.858 124 2HB LYS 17 1HB LYS 17 -11.654 1.562 7.069 125 1HG LYS 17 2HG LYS 17 -9.846 2.643 5.734 126 2HG LYS 17 1HG LYS 17 -9.136 1.052 5.457 127 1HD LYS 17 2HD LYS 17 -11.289 0.319 4.419 128 2HD LYS 17 1HD LYS 17 -11.902 1.961 4.608 129 1HE LYS 17 2HE LYS 17 -9.592 2.537 3.348 130 2HE LYS 17 1HE LYS 17 -9.869 0.911 2.695 131 1HZ LYS 17 2HZ LYS 17 -12.166 2.716 2.908 132 2HZ LYS 17 1HZ LYS 17 -11.048 3.029 1.667 133 3HZ LYS 17 3HZ LYS 17 -11.831 1.527 1.742 134 H LEU 18 HN LEU 18 -8.824 -0.052 10.005 135 HA LEU 18 HA LEU 18 -11.236 -0.819 11.348 136 1HB LEU 18 2HB LEU 18 -8.824 -1.771 11.312 137 2HB LEU 18 1HB LEU 18 -8.488 -0.587 12.576 138 HG LEU 18 HG LEU 18 -10.772 -2.567 12.741 139 1HD1 LEU 18 2HD1 LEU 18 -7.865 -2.819 13.468 140 2HD1 LEU 18 1HD1 LEU 18 -9.080 -3.619 14.465 141 3HD1 LEU 18 3HD1 LEU 18 -8.942 -4.020 12.754 142 1HD2 LEU 18 3HD2 LEU 18 -9.389 -0.699 14.676 143 2HD2 LEU 18 2HD2 LEU 18 -11.098 -0.742 14.242 144 3HD2 LEU 18 1HD2 LEU 18 -10.404 -2.034 15.223 145 H LYS 19 HN LYS 19 -8.786 1.689 12.120 146 HA LYS 19 HA LYS 19 -10.003 2.669 14.498 147 1HB LYS 19 2HB LYS 19 -7.706 3.153 13.565 148 2HB LYS 19 1HB LYS 19 -8.470 4.219 12.386 149 1HG LYS 19 2HG LYS 19 -9.423 5.567 14.226 150 2HG LYS 19 1HG LYS 19 -8.653 4.503 15.402 151 1HD LYS 19 2HD LYS 19 -6.434 5.083 14.387 152 2HD LYS 19 1HD LYS 19 -7.257 6.251 13.354 153 1HE LYS 19 2HE LYS 19 -8.150 6.733 16.018 154 2HE LYS 19 1HE LYS 19 -6.381 6.602 16.069 155 1HZ LYS 19 3HZ LYS 19 -6.352 8.052 14.053 156 2HZ LYS 19 2HZ LYS 19 -8.018 8.307 14.262 157 3HZ LYS 19 1HZ LYS 19 -6.920 8.831 15.448 158 H ASP 20 HN ASP 20 -10.385 3.754 11.108 159 HA ASP 20 HA ASP 20 -12.735 5.403 11.941 160 1HB ASP 20 2HB ASP 20 -11.028 5.283 9.432 161 2HB ASP 20 1HB ASP 20 -12.379 6.393 9.661 162 H LEU 21 HN LEU 21 -14.725 4.491 11.594 163 HA LEU 21 HA LEU 21 -14.939 2.198 9.699 164 1HB LEU 21 2HB LEU 21 -15.655 2.163 12.158 165 2HB LEU 21 1HB LEU 21 -16.973 3.235 11.685 166 HG LEU 21 HG LEU 21 -17.644 1.534 9.958 167 1HD1 LEU 21 3HD1 LEU 21 -15.143 0.488 10.429 168 2HD1 LEU 21 2HD1 LEU 21 -16.178 -0.616 11.334 169 3HD1 LEU 21 1HD1 LEU 21 -16.450 -0.366 9.610 170 1HD2 LEU 21 1HD2 LEU 21 -17.956 1.447 12.810 171 2HD2 LEU 21 3HD2 LEU 21 -19.097 0.932 11.567 172 3HD2 LEU 21 2HD2 LEU 21 -17.904 -0.205 12.196 173 H GLN 22 HN GLN 22 -16.040 2.422 7.797 174 HA GLN 22 HA GLN 22 -17.955 4.692 7.476 175 1HB GLN 22 2HB GLN 22 -16.850 5.293 5.373 176 2HB GLN 22 1HB GLN 22 -15.663 5.313 6.677 177 1HG GLN 22 2HG GLN 22 -15.115 2.903 6.035 178 2HG GLN 22 1HG GLN 22 -16.081 3.168 4.583 179 1HE2 GLN 22 1HE2 GLN 22 -14.434 3.294 2.989 180 2HE2 GLN 22 2HE2 GLN 22 -13.173 4.428 3.029 181 H GLU 23 HN GLU 23 -19.111 4.363 5.234 182 HA GLU 23 HA GLU 23 -20.702 2.153 5.110 183 1HB GLU 23 2HB GLU 23 -19.864 4.235 3.379 184 2HB GLU 23 1HB GLU 23 -19.799 2.748 2.434 185 1HG GLU 23 2HG GLU 23 -22.030 3.148 2.142 186 2HG GLU 23 1HG GLU 23 -22.165 2.400 3.734 187 HA PRO 24 HA PRO 24 -17.344 -0.927 4.798 188 1HB PRO 24 2HB PRO 24 -19.367 -2.871 5.435 189 2HB PRO 24 1HB PRO 24 -18.056 -2.287 6.463 190 1HG PRO 24 2HG PRO 24 -20.860 -1.729 6.702 191 2HG PRO 24 1HG PRO 24 -19.545 -1.125 7.715 192 1HD PRO 24 2HD PRO 24 -21.107 0.333 5.763 193 2HD PRO 24 1HD PRO 24 -19.809 0.950 6.813 194 H GLN 25 HN GLN 25 -16.868 -2.149 2.981 195 HA GLN 25 HA GLN 25 -19.056 -3.161 1.252 196 1HB GLN 25 2HB GLN 25 -16.939 -1.145 0.444 197 2HB GLN 25 1HB GLN 25 -17.977 -1.990 -0.704 198 1HG GLN 25 2HG GLN 25 -19.972 -1.052 0.415 199 2HG GLN 25 1HG GLN 25 -18.929 -0.199 1.553 200 1HE2 GLN 25 1HE2 GLN 25 -20.713 1.228 -0.181 201 2HE2 GLN 25 2HE2 GLN 25 -19.785 2.108 -1.297 202 H GLU 26 HN GLU 26 -15.532 -2.672 1.470 203 HA GLU 26 HA GLU 26 -13.747 -4.122 0.900 204 1HB GLU 26 2HB GLU 26 -15.441 -5.142 2.846 205 2HB GLU 26 1HB GLU 26 -15.264 -6.492 1.725 206 1HG GLU 26 2HG GLU 26 -12.825 -6.327 1.869 207 2HG GLU 26 1HG GLU 26 -12.962 -4.914 2.917 208 HA PRO 27 HA PRO 27 -16.267 -5.658 -2.850 209 1HB PRO 27 2HB PRO 27 -14.658 -3.910 -4.464 210 2HB PRO 27 1HB PRO 27 -16.399 -3.831 -4.184 211 1HG PRO 27 2HG PRO 27 -14.367 -2.069 -3.173 212 2HG PRO 27 1HG PRO 27 -16.108 -1.990 -2.896 213 1HD PRO 27 2HD PRO 27 -14.049 -2.753 -1.020 214 2HD PRO 27 1HD PRO 27 -15.806 -2.673 -0.745 215 H ARG 28 HN ARG 28 -12.870 -4.566 -2.806 216 HA ARG 28 HA ARG 28 -11.952 -7.332 -3.347 217 1HB ARG 28 2HB ARG 28 -11.488 -4.945 -5.166 218 2HB ARG 28 1HB ARG 28 -10.660 -6.495 -5.333 219 1HG ARG 28 2HG ARG 28 -12.883 -7.610 -5.566 220 2HG ARG 28 1HG ARG 28 -13.652 -6.023 -5.517 221 1HD ARG 28 2HD ARG 28 -12.230 -5.365 -7.508 222 2HD ARG 28 1HD ARG 28 -11.715 -7.059 -7.613 223 HE ARG 28 HE ARG 28 -14.213 -6.108 -8.558 224 1HH1 ARG 28 1HH1 ARG 28 -12.657 -8.940 -7.909 225 2HH1 ARG 28 2HH1 ARG 28 -14.068 -9.867 -7.524 226 1HH2 ARG 28 1HH2 ARG 28 -16.175 -7.115 -7.428 227 2HH2 ARG 28 2HH2 ARG 28 -16.060 -8.834 -7.252 228 H VAL 29 HN VAL 29 -9.432 -7.302 -3.378 229 HA VAL 29 HA VAL 29 -8.401 -6.223 -0.985 230 HB VAL 29 HB VAL 29 -7.034 -6.939 -3.599 231 1HG1 VAL 29 2HG1 VAL 29 -5.651 -5.574 -1.979 232 2HG1 VAL 29 1HG1 VAL 29 -5.861 -6.875 -0.807 233 3HG1 VAL 29 3HG1 VAL 29 -5.004 -7.179 -2.318 234 1HG2 VAL 29 3HG2 VAL 29 -7.899 -8.495 -1.164 235 2HG2 VAL 29 2HG2 VAL 29 -8.212 -8.851 -2.862 236 3HG2 VAL 29 1HG2 VAL 29 -6.594 -9.076 -2.198 237 H GLY 30 HN GLY 30 -7.801 -4.159 -0.434 238 1HA GLY 30 1HA GLY 30 -7.589 -1.819 -0.708 239 2HA GLY 30 2HA GLY 30 -7.976 -2.021 -2.417 240 H LYS 31 HN LYS 31 -6.303 -1.823 -3.839 241 HA LYS 31 HA LYS 31 -3.632 -2.749 -3.413 242 1HB LYS 31 2HB LYS 31 -4.861 -0.674 -5.254 243 2HB LYS 31 1HB LYS 31 -3.207 -1.263 -5.419 244 1HG LYS 31 2HG LYS 31 -4.106 -3.591 -5.602 245 2HG LYS 31 1HG LYS 31 -5.739 -2.925 -5.575 246 1HD LYS 31 2HD LYS 31 -5.181 -1.562 -7.584 247 2HD LYS 31 1HD LYS 31 -3.591 -2.324 -7.632 248 1HE LYS 31 2HE LYS 31 -5.385 -4.475 -7.454 249 2HE LYS 31 1HE LYS 31 -6.136 -3.351 -8.604 250 1HZ LYS 31 1HZ LYS 31 -3.235 -3.866 -8.722 251 2HZ LYS 31 3HZ LYS 31 -4.304 -4.977 -9.430 252 3HZ LYS 31 2HZ LYS 31 -4.284 -3.363 -9.961 253 H LEU 32 HN LEU 32 -5.214 0.331 -2.717 254 HA LEU 32 HA LEU 32 -2.621 1.545 -1.901 255 1HB LEU 32 2HB LEU 32 -5.433 2.675 -2.079 256 2HB LEU 32 1HB LEU 32 -3.950 3.607 -1.867 257 HG LEU 32 HG LEU 32 -4.702 1.918 -4.271 258 1HD1 LEU 32 3HD1 LEU 32 -5.269 4.589 -3.600 259 2HD1 LEU 32 2HD1 LEU 32 -3.926 4.675 -4.740 260 3HD1 LEU 32 1HD1 LEU 32 -5.417 3.849 -5.193 261 1HD2 LEU 32 2HD2 LEU 32 -2.294 1.732 -3.746 262 2HD2 LEU 32 1HD2 LEU 32 -2.550 2.673 -5.216 263 3HD2 LEU 32 3HD2 LEU 32 -2.170 3.491 -3.700 264 H ARG 33 HN ARG 33 -2.099 1.779 0.237 265 HA ARG 33 HA ARG 33 -3.995 2.090 2.379 266 1HB ARG 33 2HB ARG 33 -3.776 -0.167 3.357 267 2HB ARG 33 1HB ARG 33 -4.440 -0.271 1.726 268 1HG ARG 33 2HG ARG 33 -2.075 -0.651 0.897 269 2HG ARG 33 1HG ARG 33 -1.581 -0.793 2.584 270 1HD ARG 33 2HD ARG 33 -3.282 -2.636 2.860 271 2HD ARG 33 1HD ARG 33 -3.567 -2.558 1.111 272 HE ARG 33 HE ARG 33 -0.995 -3.347 2.404 273 1HH1 ARG 33 1HH1 ARG 33 -2.982 -4.774 0.378 274 2HH1 ARG 33 2HH1 ARG 33 -1.953 -4.820 -1.014 275 1HH2 ARG 33 1HH2 ARG 33 0.352 -2.580 0.287 276 2HH2 ARG 33 2HH2 ARG 33 -0.066 -3.578 -1.066 277 H ASN 34 HN ASN 34 -1.774 3.554 1.870 278 HA ASN 34 HA ASN 34 0.481 2.492 3.477 279 1HB ASN 34 2HB ASN 34 -0.011 4.637 1.468 280 2HB ASN 34 1HB ASN 34 1.301 4.896 2.617 281 1HD2 ASN 34 1HD2 ASN 34 1.986 4.540 -0.073 282 2HD2 ASN 34 2HD2 ASN 34 2.709 3.020 -0.289 283 H PHE 35 HN PHE 35 -0.950 5.745 3.266 284 HA PHE 35 HA PHE 35 -0.205 6.596 5.860 285 1HB PHE 35 2HB PHE 35 -2.514 7.356 4.048 286 2HB PHE 35 1HB PHE 35 -2.019 8.297 5.454 287 HD1 PHE 35 HD1 PHE 35 0.218 9.375 5.523 288 HD2 PHE 35 HD2 PHE 35 -1.211 7.343 2.020 289 HE1 PHE 35 HE1 PHE 35 1.983 10.471 4.168 290 HE2 PHE 35 HE2 PHE 35 0.553 8.437 0.665 291 HZ PHE 35 HZ PHE 35 2.150 10.001 1.739 292 H ALA 36 HN ALA 36 -0.753 4.607 7.156 293 HA ALA 36 HA ALA 36 -3.574 3.949 7.589 294 1HB ALA 36 3HB ALA 36 -2.110 2.143 7.855 295 2HB ALA 36 2HB ALA 36 -0.887 3.128 8.658 296 3HB ALA 36 1HB ALA 36 -2.343 2.646 9.529 297 HA PRO 37 HA PRO 37 -4.562 6.690 10.875 298 1HB PRO 37 2HB PRO 37 -5.490 4.646 12.673 299 2HB PRO 37 1HB PRO 37 -6.452 5.688 11.622 300 1HG PRO 37 2HG PRO 37 -5.953 2.880 11.330 301 2HG PRO 37 1HG PRO 37 -6.888 3.928 10.261 302 1HD PRO 37 2HD PRO 37 -4.277 2.763 9.787 303 2HD PRO 37 1HD PRO 37 -5.246 3.773 8.687 304 H ILE 38 HN ILE 38 -2.176 4.325 11.199 305 HA ILE 38 HA ILE 38 -0.326 4.156 12.653 306 HB ILE 38 HB ILE 38 -1.422 6.758 13.757 307 1HG1 ILE 38 2HG1 ILE 38 0.672 7.053 11.789 308 2HG1 ILE 38 1HG1 ILE 38 -0.688 6.170 11.093 309 1HG2 ILE 38 2HG2 ILE 38 1.371 5.589 13.579 310 2HG2 ILE 38 1HG2 ILE 38 0.989 7.206 14.173 311 3HG2 ILE 38 3HG2 ILE 38 0.418 5.787 15.050 312 1HD1 ILE 38 1HD1 ILE 38 -2.214 7.960 11.989 313 2HD1 ILE 38 3HD1 ILE 38 -0.782 8.869 12.472 314 3HD1 ILE 38 2HD1 ILE 38 -1.084 8.539 10.765 315 HA PRO 39 HA PRO 39 -2.306 2.072 16.033 316 1HB PRO 39 2HB PRO 39 0.245 1.778 17.327 317 2HB PRO 39 1HB PRO 39 -0.657 0.567 16.414 318 1HG PRO 39 2HG PRO 39 1.746 1.934 15.636 319 2HG PRO 39 1HG PRO 39 0.841 0.726 14.721 320 1HD PRO 39 2HD PRO 39 1.032 3.562 14.209 321 2HD PRO 39 1HD PRO 39 0.124 2.344 13.283 322 H GLY 40 HN GLY 40 -2.549 2.406 18.407 323 1HA GLY 40 1HA GLY 40 -2.072 5.243 19.125 324 2HA GLY 40 2HA GLY 40 -1.437 4.012 20.215 325 H GLU 41 HN GLU 41 -4.256 2.886 18.747 326 HA GLU 41 HA GLU 41 -5.914 3.825 21.068 327 1HB GLU 41 2HB GLU 41 -6.488 3.317 18.149 328 2HB GLU 41 1HB GLU 41 -7.793 3.327 19.336 329 1HG GLU 41 2HG GLU 41 -5.804 5.590 19.201 330 2HG GLU 41 1HG GLU 41 -7.218 5.562 18.146 331 HA PRO 42 HA PRO 42 -5.314 -0.811 21.287 332 1HB PRO 42 2HB PRO 42 -5.327 -0.444 24.141 333 2HB PRO 42 1HB PRO 42 -3.980 -0.943 23.114 334 1HG PRO 42 2HG PRO 42 -4.344 1.577 24.446 335 2HG PRO 42 1HG PRO 42 -2.999 1.079 23.418 336 1HD PRO 42 2HD PRO 42 -5.088 2.978 22.807 337 2HD PRO 42 1HD PRO 42 -3.729 2.476 21.774 338 H VAL 43 HN VAL 43 -7.334 -1.700 20.958 339 HA VAL 43 HA VAL 43 -9.457 -1.153 22.998 340 HB VAL 43 HB VAL 43 -9.663 -1.141 19.970 341 1HG1 VAL 43 2HG1 VAL 43 -11.604 -2.218 21.208 342 2HG1 VAL 43 1HG1 VAL 43 -11.869 -0.657 21.985 343 3HG1 VAL 43 3HG1 VAL 43 -12.020 -0.810 20.236 344 1HG2 VAL 43 1HG2 VAL 43 -9.826 0.968 22.123 345 2HG2 VAL 43 3HG2 VAL 43 -8.847 0.968 20.656 346 3HG2 VAL 43 2HG2 VAL 43 -10.591 1.207 20.551 347 H VAL 44 HN VAL 44 -10.672 -2.991 23.528 348 HA VAL 44 HA VAL 44 -11.213 -5.274 22.030 349 HB VAL 44 HB VAL 44 -8.397 -5.023 22.828 350 1HG1 VAL 44 1HG1 VAL 44 -9.952 -7.540 23.487 351 2HG1 VAL 44 3HG1 VAL 44 -8.201 -7.515 23.273 352 3HG1 VAL 44 2HG1 VAL 44 -8.943 -6.590 24.577 353 1HG2 VAL 44 3HG2 VAL 44 -9.948 -5.822 20.619 354 2HG2 VAL 44 2HG2 VAL 44 -8.189 -5.833 20.733 355 3HG2 VAL 44 1HG2 VAL 44 -9.107 -7.279 21.149 356 HA PRO 45 HA PRO 45 -11.019 -6.532 26.747 357 1HB PRO 45 2HB PRO 45 -10.610 -4.067 28.175 358 2HB PRO 45 1HB PRO 45 -9.592 -5.508 28.174 359 1HG PRO 45 2HG PRO 45 -9.080 -2.967 26.915 360 2HG PRO 45 1HG PRO 45 -8.039 -4.391 26.957 361 1HD PRO 45 2HD PRO 45 -9.476 -3.344 24.710 362 2HD PRO 45 1HD PRO 45 -8.500 -4.828 24.765 363 H ILE 46 HN ILE 46 -12.286 -3.620 25.335 364 HA ILE 46 HA ILE 46 -14.596 -3.488 27.180 365 HB ILE 46 HB ILE 46 -13.854 -1.954 24.665 366 1HG1 ILE 46 2HG1 ILE 46 -13.549 -1.200 27.587 367 2HG1 ILE 46 1HG1 ILE 46 -12.230 -1.755 26.557 368 1HG2 ILE 46 3HG2 ILE 46 -16.076 -1.736 26.672 369 2HG2 ILE 46 2HG2 ILE 46 -15.436 -0.264 25.940 370 3HG2 ILE 46 1HG2 ILE 46 -16.130 -1.526 24.921 371 1HD1 ILE 46 2HD1 ILE 46 -13.941 0.553 25.672 372 2HD1 ILE 46 1HD1 ILE 46 -12.643 0.823 26.836 373 3HD1 ILE 46 3HD1 ILE 46 -12.274 0.176 25.237 374 H LEU 47 HN LEU 47 -14.566 -3.328 23.617 375 HA LEU 47 HA LEU 47 -15.920 -5.799 23.119 376 1HB LEU 47 2HB LEU 47 -17.621 -4.682 24.552 377 2HB LEU 47 1HB LEU 47 -17.689 -3.347 23.402 378 HG LEU 47 HG LEU 47 -18.256 -5.107 21.627 379 1HD1 LEU 47 1HD1 LEU 47 -17.797 -6.797 23.892 380 2HD1 LEU 47 3HD1 LEU 47 -19.491 -6.946 23.426 381 3HD1 LEU 47 2HD1 LEU 47 -18.220 -7.270 22.247 382 1HD2 LEU 47 2HD2 LEU 47 -19.868 -3.528 22.878 383 2HD2 LEU 47 1HD2 LEU 47 -20.575 -4.941 22.095 384 3HD2 LEU 47 3HD2 LEU 47 -20.305 -4.941 23.839 385 H CYS 48 HN CYS 48 -14.053 -5.027 21.532 386 HA CYS 48 HA CYS 48 -13.411 -4.074 19.441 387 1HB CYS 48 2HB CYS 48 -16.108 -5.404 19.173 388 2HB CYS 48 1HB CYS 48 -15.274 -4.759 17.757 389 H SER 49 HN SER 49 -13.392 -1.802 19.871 390 HA SER 49 HA SER 49 -15.572 -0.059 20.141 391 1HB SER 49 2HB SER 49 -13.940 1.642 19.288 392 2HB SER 49 1HB SER 49 -13.248 0.569 20.506 393 HG SER 49 HG SER 49 -12.723 0.774 17.794 394 H ASN 50 HN ASN 50 -14.016 -1.146 17.115 395 HA ASN 50 HA ASN 50 -15.832 0.426 15.444 396 1HB ASN 50 2HB ASN 50 -13.402 -1.116 15.236 397 2HB ASN 50 1HB ASN 50 -14.529 -1.609 13.972 398 1HD2 ASN 50 1HD2 ASN 50 -13.785 1.575 15.515 399 2HD2 ASN 50 2HD2 ASN 50 -13.543 2.391 14.046 400 HA PRO 51 HA PRO 51 -19.040 -2.718 15.960 401 1HB PRO 51 2HB PRO 51 -20.560 -1.235 14.019 402 2HB PRO 51 1HB PRO 51 -20.806 -1.315 15.765 403 1HG PRO 51 2HG PRO 51 -19.759 0.877 14.209 404 2HG PRO 51 1HG PRO 51 -20.069 0.821 15.946 405 1HD PRO 51 2HD PRO 51 -17.519 0.837 14.633 406 2HD PRO 51 1HD PRO 51 -17.836 0.672 16.374 407 H ASN 52 HN ASN 52 -17.193 -1.783 13.229 408 HA ASN 52 HA ASN 52 -18.061 -4.263 11.808 409 1HB ASN 52 2HB ASN 52 -17.889 -1.425 10.780 410 2HB ASN 52 1HB ASN 52 -17.899 -2.814 9.694 411 1HD2 ASN 52 1HD2 ASN 52 -20.043 -0.845 9.789 412 2HD2 ASN 52 2HD2 ASN 52 -21.442 -1.641 10.331 413 H PHE 53 HN PHE 53 -15.689 -3.954 13.379 414 HA PHE 53 HA PHE 53 -13.442 -3.309 11.600 415 1HB PHE 53 2HB PHE 53 -12.127 -3.761 13.516 416 2HB PHE 53 1HB PHE 53 -13.647 -3.200 14.214 417 HD1 PHE 53 HD1 PHE 53 -15.431 -5.497 13.943 418 HD2 PHE 53 HD2 PHE 53 -11.257 -5.395 14.963 419 HE1 PHE 53 HE1 PHE 53 -15.673 -7.643 15.153 420 HE2 PHE 53 HE2 PHE 53 -11.501 -7.556 16.174 421 HZ PHE 53 HZ PHE 53 -13.712 -8.669 16.265 422 HA PRO 54 HA PRO 54 -12.651 -7.230 9.785 423 1HB PRO 54 2HB PRO 54 -10.243 -7.935 11.208 424 2HB PRO 54 1HB PRO 54 -10.389 -7.283 9.574 425 1HG PRO 54 2HG PRO 54 -9.453 -5.940 11.945 426 2HG PRO 54 1HG PRO 54 -9.562 -5.300 10.305 427 1HD PRO 54 2HD PRO 54 -11.197 -4.613 12.562 428 2HD PRO 54 1HD PRO 54 -11.363 -4.025 10.892 429 H GLU 55 HN GLU 55 -14.557 -7.855 11.181 430 HA GLU 55 HA GLU 55 -14.682 -8.931 13.681 431 1HB GLU 55 2HB GLU 55 -16.502 -8.807 12.014 432 2HB GLU 55 1HB GLU 55 -15.795 -10.179 11.150 433 1HG GLU 55 2HG GLU 55 -16.054 -11.568 13.198 434 2HG GLU 55 1HG GLU 55 -16.822 -10.201 14.007 435 H GLU 56 HN GLU 56 -12.982 -10.365 10.949 436 HA GLU 56 HA GLU 56 -12.588 -13.007 11.854 437 1HB GLU 56 2HB GLU 56 -10.669 -11.056 10.528 438 2HB GLU 56 1HB GLU 56 -10.439 -12.804 10.582 439 1HG GLU 56 2HG GLU 56 -12.606 -13.100 9.398 440 2HG GLU 56 1HG GLU 56 -12.770 -11.346 9.297 441 H LEU 57 HN LEU 57 -11.565 -10.009 13.219 442 HA LEU 57 HA LEU 57 -9.380 -11.142 14.841 443 1HB LEU 57 2HB LEU 57 -10.782 -8.450 14.749 444 2HB LEU 57 1HB LEU 57 -9.343 -8.791 15.708 445 HG LEU 57 HG LEU 57 -9.568 -8.981 12.689 446 1HD1 LEU 57 1HD1 LEU 57 -9.459 -6.674 13.674 447 2HD1 LEU 57 3HD1 LEU 57 -7.931 -7.118 14.437 448 3HD1 LEU 57 2HD1 LEU 57 -8.059 -7.076 12.678 449 1HD2 LEU 57 3HD2 LEU 57 -7.347 -9.636 14.633 450 2HD2 LEU 57 2HD2 LEU 57 -8.040 -10.673 13.387 451 3HD2 LEU 57 1HD2 LEU 57 -7.038 -9.296 12.930 452 H LYS 58 HN LYS 58 -12.669 -11.388 14.992 453 HA LYS 58 HA LYS 58 -13.670 -10.660 17.434 454 1HB LYS 58 2HB LYS 58 -14.381 -12.369 15.454 455 2HB LYS 58 1HB LYS 58 -14.009 -13.528 16.730 456 1HG LYS 58 2HG LYS 58 -16.335 -12.977 16.964 457 2HG LYS 58 1HG LYS 58 -15.484 -12.145 18.266 458 1HD LYS 58 2HD LYS 58 -15.378 -10.109 16.758 459 2HD LYS 58 1HD LYS 58 -16.466 -10.958 15.658 460 1HE LYS 58 2HE LYS 58 -18.193 -11.082 17.365 461 2HE LYS 58 1HE LYS 58 -17.088 -10.423 18.587 462 1HZ LYS 58 3HZ LYS 58 -16.822 -8.614 16.663 463 2HZ LYS 58 2HZ LYS 58 -18.429 -9.081 16.370 464 3HZ LYS 58 1HZ LYS 58 -17.983 -8.473 17.891 465 HA PRO 59 HA PRO 59 -11.479 -14.503 19.518 466 1HB PRO 59 2HB PRO 59 -9.013 -14.802 18.063 467 2HB PRO 59 1HB PRO 59 -10.300 -15.988 18.285 468 1HG PRO 59 2HG PRO 59 -9.640 -14.479 15.908 469 2HG PRO 59 1HG PRO 59 -10.856 -15.744 16.100 470 1HD PRO 59 2HD PRO 59 -11.321 -12.957 15.742 471 2HD PRO 59 1HD PRO 59 -12.535 -14.198 16.118 472 H LEU 60 HN LEU 60 -9.461 -12.014 17.866 473 HA LEU 60 HA LEU 60 -7.580 -11.648 19.968 474 1HB LEU 60 2HB LEU 60 -8.704 -9.954 17.741 475 2HB LEU 60 1HB LEU 60 -7.485 -9.306 18.838 476 HG LEU 60 HG LEU 60 -6.205 -11.533 18.294 477 1HD1 LEU 60 2HD1 LEU 60 -8.453 -11.516 16.386 478 2HD1 LEU 60 1HD1 LEU 60 -6.874 -11.770 15.643 479 3HD1 LEU 60 3HD1 LEU 60 -7.436 -12.856 16.914 480 1HD2 LEU 60 2HD2 LEU 60 -6.501 -9.119 16.506 481 2HD2 LEU 60 1HD2 LEU 60 -5.214 -9.480 17.655 482 3HD2 LEU 60 3HD2 LEU 60 -5.329 -10.387 16.147 483 H CYS 61 HN CYS 61 -10.793 -10.208 19.432 484 HA CYS 61 HA CYS 61 -10.683 -8.244 21.505 485 1HB CYS 61 2HB CYS 61 -12.878 -9.814 20.141 486 2HB CYS 61 1HB CYS 61 -13.236 -8.576 21.345 487 H LYS 62 HN LYS 62 -11.195 -11.719 21.607 488 HA LYS 62 HA LYS 62 -12.124 -11.581 24.430 489 1HB LYS 62 2HB LYS 62 -11.835 -13.839 22.427 490 2HB LYS 62 1HB LYS 62 -12.550 -14.003 24.031 491 1HG LYS 62 2HG LYS 62 -14.241 -12.281 23.425 492 2HG LYS 62 1HG LYS 62 -13.550 -12.204 21.803 493 1HD LYS 62 2HD LYS 62 -14.012 -14.647 21.540 494 2HD LYS 62 1HD LYS 62 -14.808 -14.633 23.113 495 1HE LYS 62 2HE LYS 62 -16.183 -12.628 22.034 496 2HE LYS 62 1HE LYS 62 -15.717 -13.428 20.522 497 1HZ LYS 62 1HZ LYS 62 -16.939 -14.781 22.874 498 2HZ LYS 62 3HZ LYS 62 -17.775 -14.362 21.460 499 3HZ LYS 62 2HZ LYS 62 -16.531 -15.516 21.399 500 H GLU 63 HN GLU 63 -9.150 -11.392 23.132 501 HA GLU 63 HA GLU 63 -7.975 -13.116 25.282 502 1HB GLU 63 2HB GLU 63 -6.223 -13.749 23.649 503 2HB GLU 63 1HB GLU 63 -7.827 -14.213 23.079 504 1HG GLU 63 2HG GLU 63 -7.915 -12.092 21.753 505 2HG GLU 63 1HG GLU 63 -6.257 -11.754 22.248 506 HA PRO 64 HA PRO 64 -5.778 -9.487 26.456 507 1HB PRO 64 2HB PRO 64 -3.485 -11.020 27.269 508 2HB PRO 64 1HB PRO 64 -4.766 -10.355 28.285 509 1HG PRO 64 2HG PRO 64 -4.299 -13.105 27.626 510 2HG PRO 64 1HG PRO 64 -5.601 -12.436 28.614 511 1HD PRO 64 2HD PRO 64 -5.772 -13.539 25.940 512 2HD PRO 64 1HD PRO 64 -7.091 -12.920 26.959 513 H ASN 65 HN ASN 65 -4.667 -11.686 24.069 514 HA ASN 65 HA ASN 65 -2.142 -10.355 23.456 515 1HB ASN 65 2HB ASN 65 -3.888 -12.279 21.884 516 2HB ASN 65 1HB ASN 65 -2.201 -11.906 21.528 517 1HD2 ASN 65 1HD2 ASN 65 -3.682 -14.462 22.574 518 2HD2 ASN 65 2HD2 ASN 65 -2.731 -14.940 23.896 519 H ALA 66 HN ALA 66 -5.487 -9.928 22.515 520 HA ALA 66 HA ALA 66 -5.329 -8.676 20.022 521 1HB ALA 66 1HB ALA 66 -7.093 -8.831 22.288 522 2HB ALA 66 2HB ALA 66 -7.506 -8.500 20.604 523 3HB ALA 66 3HB ALA 66 -7.083 -7.174 21.686 524 H GLN 67 HN GLN 67 -4.619 -7.292 23.228 525 HA GLN 67 HA GLN 67 -4.260 -4.579 22.500 526 1HB GLN 67 2HB GLN 67 -2.844 -6.334 24.533 527 2HB GLN 67 1HB GLN 67 -2.794 -4.571 24.536 528 1HG GLN 67 2HG GLN 67 -5.243 -4.492 24.775 529 2HG GLN 67 1HG GLN 67 -5.311 -6.254 24.741 530 1HE2 GLN 67 1HE2 GLN 67 -6.316 -5.019 27.022 531 2HE2 GLN 67 2HE2 GLN 67 -5.253 -5.233 28.327 532 H GLU 68 HN GLU 68 -1.883 -7.259 22.501 533 HA GLU 68 HA GLU 68 0.254 -5.566 21.444 534 1HB GLU 68 2HB GLU 68 -0.094 -8.561 21.793 535 2HB GLU 68 1HB GLU 68 1.426 -7.778 21.361 536 1HG GLU 68 2HG GLU 68 -0.167 -7.193 23.875 537 2HG GLU 68 1HG GLU 68 1.260 -8.227 23.806 538 H ILE 69 HN ILE 69 -2.132 -7.822 20.124 539 HA ILE 69 HA ILE 69 -0.920 -7.951 17.474 540 HB ILE 69 HB ILE 69 -3.698 -8.585 18.526 541 1HG1 ILE 69 2HG1 ILE 69 -1.354 -10.423 17.957 542 2HG1 ILE 69 1HG1 ILE 69 -1.775 -9.832 19.564 543 1HG2 ILE 69 2HG2 ILE 69 -2.360 -8.939 15.867 544 2HG2 ILE 69 1HG2 ILE 69 -3.474 -10.189 16.422 545 3HG2 ILE 69 3HG2 ILE 69 -4.037 -8.529 16.229 546 1HD1 ILE 69 1HD1 ILE 69 -4.190 -10.787 18.554 547 2HD1 ILE 69 3HD1 ILE 69 -3.005 -11.968 17.997 548 3HD1 ILE 69 2HD1 ILE 69 -3.156 -11.615 19.717 549 H LEU 70 HN LEU 70 -3.875 -6.370 18.754 550 HA LEU 70 HA LEU 70 -4.777 -4.990 16.536 551 1HB LEU 70 2HB LEU 70 -5.933 -4.886 18.624 552 2HB LEU 70 1HB LEU 70 -4.527 -4.222 19.451 553 HG LEU 70 HG LEU 70 -6.524 -2.644 18.714 554 1HD1 LEU 70 1HD1 LEU 70 -4.011 -2.211 19.568 555 2HD1 LEU 70 3HD1 LEU 70 -3.870 -1.532 17.946 556 3HD1 LEU 70 2HD1 LEU 70 -5.074 -0.895 19.066 557 1HD2 LEU 70 1HD2 LEU 70 -6.001 -3.577 16.265 558 2HD2 LEU 70 3HD2 LEU 70 -6.552 -1.922 16.526 559 3HD2 LEU 70 2HD2 LEU 70 -4.837 -2.253 16.286 560 H GLN 71 HN GLN 71 -2.588 -3.419 18.912 561 HA GLN 71 HA GLN 71 -1.893 -1.162 17.428 562 1HB GLN 71 2HB GLN 71 -1.301 -1.796 19.799 563 2HB GLN 71 1HB GLN 71 -0.034 -2.831 19.143 564 1HG GLN 71 2HG GLN 71 0.960 -0.856 18.006 565 2HG GLN 71 1HG GLN 71 -0.279 0.165 18.737 566 1HE2 GLN 71 1HE2 GLN 71 0.640 1.269 20.472 567 2HE2 GLN 71 2HE2 GLN 71 1.705 0.590 21.606 568 H ARG 72 HN ARG 72 -0.036 -4.231 17.489 569 HA ARG 72 HA ARG 72 1.887 -3.570 15.535 570 1HB ARG 72 2HB ARG 72 0.520 -6.174 16.271 571 2HB ARG 72 1HB ARG 72 1.965 -6.086 15.263 572 1HG ARG 72 2HG ARG 72 3.149 -4.905 17.097 573 2HG ARG 72 1HG ARG 72 1.710 -5.050 18.105 574 1HD ARG 72 2HD ARG 72 3.181 -6.880 18.704 575 2HD ARG 72 1HD ARG 72 1.871 -7.581 17.736 576 HE ARG 72 HE ARG 72 3.408 -7.466 15.771 577 1HH1 ARG 72 1HH1 ARG 72 4.555 -8.716 18.548 578 2HH1 ARG 72 2HH1 ARG 72 6.232 -8.386 18.271 579 1HH2 ARG 72 1HH2 ARG 72 5.646 -6.302 15.562 580 2HH2 ARG 72 2HH2 ARG 72 6.850 -7.019 16.580 581 H LEU 73 HN LEU 73 -1.170 -5.380 15.015 582 HA LEU 73 HA LEU 73 -1.120 -5.657 12.246 583 1HB LEU 73 2HB LEU 73 -3.363 -4.991 14.170 584 2HB LEU 73 1HB LEU 73 -3.648 -5.469 12.496 585 HG LEU 73 HG LEU 73 -2.261 -7.094 14.646 586 1HD1 LEU 73 3HD1 LEU 73 -4.801 -7.492 13.037 587 2HD1 LEU 73 2HD1 LEU 73 -4.111 -8.692 14.130 588 3HD1 LEU 73 1HD1 LEU 73 -4.698 -7.155 14.765 589 1HD2 LEU 73 3HD2 LEU 73 -2.051 -7.161 11.730 590 2HD2 LEU 73 2HD2 LEU 73 -1.084 -8.003 12.941 591 3HD2 LEU 73 1HD2 LEU 73 -2.613 -8.693 12.398 592 H GLU 74 HN GLU 74 -2.430 -2.837 14.040 593 HA GLU 74 HA GLU 74 -3.133 -1.245 11.812 594 1HB GLU 74 2HB GLU 74 -2.010 -0.428 14.512 595 2HB GLU 74 1HB GLU 74 -2.969 0.598 13.444 596 1HG GLU 74 2HG GLU 74 -4.796 -1.158 13.576 597 2HG GLU 74 1HG GLU 74 -3.853 -1.935 14.845 598 H GLU 75 HN GLU 75 -0.008 -1.319 13.610 599 HA GLU 75 HA GLU 75 1.374 0.647 12.146 600 1HB GLU 75 2HB GLU 75 2.112 -0.562 14.206 601 2HB GLU 75 1HB GLU 75 2.400 -2.000 13.227 602 1HG GLU 75 2HG GLU 75 4.003 -0.679 11.837 603 2HG GLU 75 1HG GLU 75 3.772 0.689 12.926 604 H ILE 76 HN ILE 76 1.307 -2.888 11.507 605 HA ILE 76 HA ILE 76 2.778 -2.807 9.064 606 HB ILE 76 HB ILE 76 0.560 -4.658 10.010 607 1HG1 ILE 76 2HG1 ILE 76 3.576 -4.811 10.318 608 2HG1 ILE 76 1HG1 ILE 76 2.430 -4.451 11.609 609 1HG2 ILE 76 3HG2 ILE 76 1.858 -4.543 7.520 610 2HG2 ILE 76 2HG2 ILE 76 2.662 -5.845 8.396 611 3HG2 ILE 76 1HG2 ILE 76 0.916 -5.892 8.155 612 1HD1 ILE 76 3HD1 ILE 76 1.681 -6.871 10.181 613 2HD1 ILE 76 2HD1 ILE 76 3.317 -6.992 10.829 614 3HD1 ILE 76 1HD1 ILE 76 1.966 -6.639 11.906 615 H ALA 77 HN ALA 77 -0.638 -2.306 9.799 616 HA ALA 77 HA ALA 77 -1.744 -2.368 7.187 617 1HB ALA 77 3HB ALA 77 -2.400 -1.446 9.853 618 2HB ALA 77 1HB ALA 77 -3.492 -1.960 8.568 619 3HB ALA 77 2HB ALA 77 -2.967 -0.279 8.658 620 H GLU 78 HN GLU 78 0.118 0.107 8.882 621 HA GLU 78 HA GLU 78 -0.320 2.287 7.070 622 1HB GLU 78 2HB GLU 78 0.664 2.342 9.388 623 2HB GLU 78 1HB GLU 78 2.126 1.602 8.736 624 1HG GLU 78 2HG GLU 78 2.331 3.523 7.147 625 2HG GLU 78 1HG GLU 78 0.943 4.276 7.931 626 H ASP 79 HN ASP 79 2.187 -0.262 7.187 627 HA ASP 79 HA ASP 79 2.696 0.204 4.285 628 1HB ASP 79 2HB ASP 79 4.376 1.525 5.349 629 2HB ASP 79 1HB ASP 79 4.658 0.302 6.587 630 HA PRO 80 HA PRO 80 2.572 -4.192 4.075 631 1HB PRO 80 2HB PRO 80 4.715 -4.286 2.159 632 2HB PRO 80 1HB PRO 80 2.979 -4.408 1.859 633 1HG PRO 80 2HG PRO 80 4.744 -2.186 1.297 634 2HG PRO 80 1HG PRO 80 3.033 -2.358 0.895 635 1HD PRO 80 2HD PRO 80 4.173 -0.629 2.862 636 2HD PRO 80 1HD PRO 80 2.444 -0.932 2.578 637 H GLY 81 HN GLY 81 5.957 -2.983 3.792 638 1HA GLY 81 1HA GLY 81 6.721 -4.281 6.278 639 2HA GLY 81 2HA GLY 81 7.814 -3.481 5.151 640 H THR 82 HN THR 82 7.692 -6.264 6.541 641 HA THR 82 HA THR 82 8.870 -7.723 4.290 642 HB THR 82 HB THR 82 9.382 -9.349 6.062 643 HG1 THR 82 1HG THR 82 8.515 -9.056 8.103 644 1HG2 THR 82 1HG2 THR 82 10.402 -6.870 5.875 645 2HG2 THR 82 3HG2 THR 82 9.733 -6.771 7.504 646 3HG2 THR 82 2HG2 THR 82 10.922 -8.013 7.113 647 H CYS 83 HN CYS 83 5.781 -7.626 5.923 648 HA CYS 83 HA CYS 83 4.773 -10.221 5.402 649 1HB CYS 83 2HB CYS 83 3.809 -8.192 6.693 650 2HB CYS 83 1HB CYS 83 3.178 -7.669 5.130 651 H GLU 84 HN GLU 84 4.404 -7.289 3.368 652 HA GLU 84 HA GLU 84 3.136 -8.523 1.159 653 1HB GLU 84 2HB GLU 84 3.380 -6.095 1.605 654 2HB GLU 84 1HB GLU 84 5.098 -6.212 1.225 655 1HG GLU 84 2HG GLU 84 4.448 -7.116 -1.041 656 2HG GLU 84 1HG GLU 84 2.771 -6.741 -0.644 657 H ILE 85 HN ILE 85 6.552 -8.505 2.071 658 HA ILE 85 HA ILE 85 7.266 -9.720 -0.559 659 HB ILE 85 HB ILE 85 9.545 -9.171 0.102 660 1HG1 ILE 85 2HG1 ILE 85 8.277 -8.569 2.784 661 2HG1 ILE 85 1HG1 ILE 85 9.514 -9.775 2.435 662 1HG2 ILE 85 2HG2 ILE 85 7.444 -7.293 -0.153 663 2HG2 ILE 85 1HG2 ILE 85 8.489 -6.692 1.134 664 3HG2 ILE 85 3HG2 ILE 85 9.160 -7.026 -0.462 665 1HD1 ILE 85 2HD1 ILE 85 10.705 -7.505 1.481 666 2HD1 ILE 85 1HD1 ILE 85 9.779 -6.859 2.836 667 3HD1 ILE 85 3HD1 ILE 85 10.957 -8.143 3.107 668 H CYS 86 HN CYS 86 5.934 -10.953 2.039 669 HA CYS 86 HA CYS 86 6.004 -13.055 3.118 670 1HB CYS 86 2HB CYS 86 7.660 -13.584 0.630 671 2HB CYS 86 1HB CYS 86 6.957 -14.833 1.657 672 H ALA 87 HN ALA 87 8.418 -11.010 3.300 673 HA ALA 87 HA ALA 87 10.781 -12.560 3.821 674 1HB ALA 87 1HB ALA 87 11.026 -10.324 5.363 675 2HB ALA 87 2HB ALA 87 9.728 -9.825 4.279 676 3HB ALA 87 3HB ALA 87 11.282 -10.332 3.618 677 H TYR 88 HN TYR 88 7.836 -12.283 5.537 678 HA TYR 88 HA TYR 88 9.025 -13.735 7.848 679 1HB TYR 88 2HB TYR 88 8.228 -10.967 7.772 680 2HB TYR 88 1HB TYR 88 7.171 -11.845 8.876 681 HD1 TYR 88 HD1 TYR 88 10.738 -11.151 8.058 682 HD2 TYR 88 HD2 TYR 88 7.959 -12.619 10.986 683 HE1 TYR 88 HE1 TYR 88 12.548 -11.198 9.752 684 HE2 TYR 88 HE2 TYR 88 9.769 -12.665 12.680 685 HH TYR 88 HH TYR 88 12.950 -12.583 11.971 686 H ALA 89 HN ALA 89 7.118 -14.422 9.354 687 HA ALA 89 HA ALA 89 5.153 -15.840 7.736 688 1HB ALA 89 2HB ALA 89 6.376 -16.115 10.201 689 2HB ALA 89 1HB ALA 89 4.728 -15.666 10.639 690 3HB ALA 89 3HB ALA 89 5.018 -17.086 9.633 691 H ALA 90 HN ALA 90 5.259 -12.664 8.573 692 HA ALA 90 HA ALA 90 2.714 -12.075 9.715 693 1HB ALA 90 3HB ALA 90 4.244 -10.436 7.682 694 2HB ALA 90 2HB ALA 90 3.216 -9.842 8.986 695 3HB ALA 90 1HB ALA 90 4.764 -10.600 9.358 696 H CYS 91 HN CYS 91 3.725 -12.379 6.302 697 HA CYS 91 HA CYS 91 0.863 -12.146 5.473 698 1HB CYS 91 2HB CYS 91 3.517 -11.463 4.390 699 2HB CYS 91 1HB CYS 91 2.395 -12.128 3.203 700 H THR 92 HN THR 92 -0.168 -14.026 4.947 701 HA THR 92 HA THR 92 1.492 -16.424 4.269 702 HB THR 92 HB THR 92 -0.391 -17.678 5.159 703 HG1 THR 92 1HG THR 92 -1.974 -16.199 4.286 704 1HG2 THR 92 2HG2 THR 92 1.220 -16.573 6.748 705 2HG2 THR 92 1HG2 THR 92 0.056 -15.260 6.926 706 3HG2 THR 92 3HG2 THR 92 -0.369 -16.893 7.443 707 H GLY 93 HN GLY 93 0.513 -17.888 2.609 708 1HA GLY 93 1HA GLY 93 -1.306 -16.495 0.702 709 2HA GLY 93 2HA GLY 93 -1.027 -18.237 0.744 710 H CYS 94 HN CYS 94 1.924 -16.970 1.227 711 HA CYS 94 HA CYS 94 2.900 -15.830 -1.126 712 1HB CYS 94 2HB CYS 94 3.955 -17.720 0.947 713 2HB CYS 94 1HB CYS 94 4.964 -17.370 -0.457 No H/Q in entry = 713 Start of MODEL 27 1 H1 VAL 1 2H VAL 1 -3.087 -12.686 0.689 2 H2 VAL 1 1H VAL 1 -1.952 -12.588 -0.571 3 H3 VAL 1 3H VAL 1 -2.099 -14.019 0.328 4 HA VAL 1 HA VAL 1 -0.639 -13.311 1.838 5 HB VAL 1 HB VAL 1 -0.608 -11.029 -0.157 6 1HG1 VAL 1 3HG1 VAL 1 0.927 -11.477 2.351 7 2HG1 VAL 1 2HG1 VAL 1 1.856 -10.963 0.942 8 3HG1 VAL 1 1HG1 VAL 1 0.526 -9.968 1.533 9 1HG2 VAL 1 2HG2 VAL 1 0.781 -13.666 0.156 10 2HG2 VAL 1 1HG2 VAL 1 0.153 -12.900 -1.303 11 3HG2 VAL 1 3HG2 VAL 1 1.664 -12.335 -0.592 12 H THR 2 HN THR 2 -1.997 -13.011 3.670 13 HA THR 2 HA THR 2 -2.926 -10.197 4.155 14 HB THR 2 HB THR 2 -4.623 -12.075 3.880 15 HG1 THR 2 1HG THR 2 -5.851 -11.152 5.370 16 1HG2 THR 2 1HG2 THR 2 -2.853 -13.333 5.707 17 2HG2 THR 2 3HG2 THR 2 -4.378 -13.081 6.557 18 3HG2 THR 2 2HG2 THR 2 -4.351 -13.979 5.040 19 H VAL 3 HN VAL 3 -2.878 -9.576 6.510 20 HA VAL 3 HA VAL 3 -0.339 -10.373 7.742 21 HB VAL 3 HB VAL 3 -2.596 -8.537 8.613 22 1HG1 VAL 3 1HG1 VAL 3 0.150 -9.114 9.699 23 2HG1 VAL 3 3HG1 VAL 3 -0.557 -7.511 9.900 24 3HG1 VAL 3 2HG1 VAL 3 -1.371 -8.924 10.573 25 1HG2 VAL 3 1HG2 VAL 3 0.027 -7.989 7.191 26 2HG2 VAL 3 3HG2 VAL 3 -1.583 -7.856 6.484 27 3HG2 VAL 3 2HG2 VAL 3 -1.089 -6.750 7.766 28 H GLN 4 HN GLN 4 -0.185 -12.068 9.176 29 HA GLN 4 HA GLN 4 -2.715 -13.008 10.484 30 1HB GLN 4 2HB GLN 4 -1.578 -14.505 8.841 31 2HB GLN 4 1HB GLN 4 -0.136 -14.483 9.856 32 1HG GLN 4 2HG GLN 4 -1.472 -15.420 11.730 33 2HG GLN 4 1HG GLN 4 -2.878 -15.496 10.669 34 1HE2 GLN 4 1HE2 GLN 4 -3.118 -17.431 9.527 35 2HE2 GLN 4 2HE2 GLN 4 -1.879 -18.561 9.261 36 H ASP 5 HN ASP 5 -2.805 -12.595 12.636 37 HA ASP 5 HA ASP 5 -0.296 -12.045 14.148 38 1HB ASP 5 2HB ASP 5 -1.909 -11.138 15.807 39 2HB ASP 5 1HB ASP 5 -2.176 -10.441 14.209 40 H GLY 6 HN GLY 6 -1.737 -14.750 13.316 41 1HA GLY 6 1HA GLY 6 -2.459 -16.062 15.764 42 2HA GLY 6 2HA GLY 6 -0.766 -16.388 15.386 43 H ASN 7 HN ASN 7 -3.558 -17.896 15.165 44 HA ASN 7 HA ASN 7 -2.795 -19.327 12.675 45 1HB ASN 7 2HB ASN 7 -4.824 -19.876 14.870 46 2HB ASN 7 1HB ASN 7 -4.410 -20.996 13.571 47 1HD2 ASN 7 1HD2 ASN 7 -3.942 -21.143 16.610 48 2HD2 ASN 7 2HD2 ASN 7 -2.282 -21.464 16.758 49 H PHE 8 HN PHE 8 -4.356 -16.621 13.028 50 HA PHE 8 HA PHE 8 -6.676 -17.364 11.270 51 1HB PHE 8 2HB PHE 8 -6.371 -15.049 13.208 52 2HB PHE 8 1HB PHE 8 -7.838 -15.495 12.337 53 HD1 PHE 8 HD1 PHE 8 -8.419 -18.147 12.619 54 HD2 PHE 8 HD2 PHE 8 -6.254 -15.720 15.424 55 HE1 PHE 8 HE1 PHE 8 -9.010 -19.724 14.439 56 HE2 PHE 8 HE2 PHE 8 -6.844 -17.297 17.244 57 HZ PHE 8 HZ PHE 8 -8.221 -19.299 16.753 58 H SER 9 HN SER 9 -6.577 -16.470 9.241 59 HA SER 9 HA SER 9 -4.449 -14.560 8.568 60 1HB SER 9 2HB SER 9 -5.034 -15.113 6.349 61 2HB SER 9 1HB SER 9 -5.437 -16.584 7.236 62 HG SER 9 HG SER 9 -7.151 -15.978 5.905 63 H PHE 10 HN PHE 10 -4.772 -12.391 8.893 64 HA PHE 10 HA PHE 10 -7.571 -11.331 8.675 65 1HB PHE 10 2HB PHE 10 -5.172 -10.481 10.328 66 2HB PHE 10 1HB PHE 10 -6.705 -9.606 10.286 67 HD1 PHE 10 HD1 PHE 10 -8.503 -12.087 10.031 68 HD2 PHE 10 HD2 PHE 10 -5.225 -11.145 12.644 69 HE1 PHE 10 HE1 PHE 10 -9.425 -13.625 11.743 70 HE2 PHE 10 HE2 PHE 10 -6.148 -12.682 14.355 71 HZ PHE 10 HZ PHE 10 -8.248 -13.923 13.905 72 H SER 11 HN SER 11 -7.864 -9.999 6.933 73 HA SER 11 HA SER 11 -5.714 -9.125 5.225 74 1HB SER 11 2HB SER 11 -8.026 -9.542 4.490 75 2HB SER 11 1HB SER 11 -8.601 -8.229 5.518 76 HG SER 11 HG SER 11 -8.149 -6.942 3.948 77 H LEU 12 HN LEU 12 -5.387 -6.718 4.725 78 HA LEU 12 HA LEU 12 -4.983 -5.262 7.282 79 1HB LEU 12 2HB LEU 12 -4.062 -4.750 4.434 80 2HB LEU 12 1HB LEU 12 -3.502 -3.877 5.860 81 HG LEU 12 HG LEU 12 -2.853 -6.210 6.783 82 1HD1 LEU 12 2HD1 LEU 12 -3.605 -6.790 3.953 83 2HD1 LEU 12 1HD1 LEU 12 -2.177 -7.603 4.595 84 3HD1 LEU 12 3HD1 LEU 12 -3.740 -7.814 5.383 85 1HD2 LEU 12 1HD2 LEU 12 -1.497 -4.290 5.255 86 2HD2 LEU 12 3HD2 LEU 12 -0.763 -5.550 6.247 87 3HD2 LEU 12 2HD2 LEU 12 -1.051 -5.836 4.530 88 H GLU 13 HN GLU 13 -7.413 -5.440 5.019 89 HA GLU 13 HA GLU 13 -7.967 -2.633 4.558 90 1HB GLU 13 2HB GLU 13 -8.719 -4.550 3.147 91 2HB GLU 13 1HB GLU 13 -9.772 -5.072 4.463 92 1HG GLU 13 2HG GLU 13 -10.906 -2.844 4.375 93 2HG GLU 13 1HG GLU 13 -9.913 -2.429 2.978 94 H SER 14 HN SER 14 -10.112 -4.909 6.298 95 HA SER 14 HA SER 14 -11.633 -3.125 7.746 96 1HB SER 14 2HB SER 14 -10.431 -5.609 8.979 97 2HB SER 14 1HB SER 14 -12.048 -4.952 9.225 98 HG SER 14 HG SER 14 -12.073 -6.710 7.780 99 H VAL 15 HN VAL 15 -8.362 -4.257 8.650 100 HA VAL 15 HA VAL 15 -8.281 -2.836 11.161 101 HB VAL 15 HB VAL 15 -6.246 -4.037 9.275 102 1HG1 VAL 15 1HG1 VAL 15 -5.208 -2.120 10.466 103 2HG1 VAL 15 3HG1 VAL 15 -5.736 -2.808 12.001 104 3HG1 VAL 15 2HG1 VAL 15 -4.551 -3.662 11.013 105 1HG2 VAL 15 1HG2 VAL 15 -7.622 -4.800 11.833 106 2HG2 VAL 15 3HG2 VAL 15 -7.364 -5.763 10.377 107 3HG2 VAL 15 2HG2 VAL 15 -6.024 -5.463 11.483 108 H LYS 16 HN LYS 16 -6.850 -2.102 7.949 109 HA LYS 16 HA LYS 16 -5.664 0.370 8.498 110 1HB LYS 16 2HB LYS 16 -5.660 -0.889 6.341 111 2HB LYS 16 1HB LYS 16 -7.339 -0.411 6.084 112 1HG LYS 16 2HG LYS 16 -6.685 1.957 6.095 113 2HG LYS 16 1HG LYS 16 -5.008 1.505 6.406 114 1HD LYS 16 2HD LYS 16 -5.255 1.918 4.025 115 2HD LYS 16 1HD LYS 16 -5.038 0.184 4.267 116 1HE LYS 16 2HE LYS 16 -6.947 -0.060 3.042 117 2HE LYS 16 1HE LYS 16 -7.802 0.541 4.475 118 1HZ LYS 16 1HZ LYS 16 -7.100 2.834 3.623 119 2HZ LYS 16 3HZ LYS 16 -6.810 2.066 2.139 120 3HZ LYS 16 2HZ LYS 16 -8.372 2.056 2.809 121 H LYS 17 HN LYS 17 -9.086 -0.270 7.671 122 HA LYS 17 HA LYS 17 -9.910 2.502 8.018 123 1HB LYS 17 2HB LYS 17 -11.408 -0.143 7.933 124 2HB LYS 17 1HB LYS 17 -12.179 1.440 7.857 125 1HG LYS 17 2HG LYS 17 -10.840 1.959 5.822 126 2HG LYS 17 1HG LYS 17 -10.163 0.331 5.880 127 1HD LYS 17 2HD LYS 17 -12.518 -0.565 5.775 128 2HD LYS 17 1HD LYS 17 -13.073 1.086 5.498 129 1HE LYS 17 2HE LYS 17 -10.881 -0.016 3.759 130 2HE LYS 17 1HE LYS 17 -12.564 -0.470 3.426 131 1HZ LYS 17 3HZ LYS 17 -12.954 2.066 3.816 132 2HZ LYS 17 2HZ LYS 17 -11.309 2.195 3.411 133 3HZ LYS 17 1HZ LYS 17 -12.408 1.521 2.305 134 H LEU 18 HN LEU 18 -10.503 -0.487 9.896 135 HA LEU 18 HA LEU 18 -11.834 0.186 12.109 136 1HB LEU 18 2HB LEU 18 -10.900 -1.881 12.363 137 2HB LEU 18 1HB LEU 18 -9.403 -1.407 11.564 138 HG LEU 18 HG LEU 18 -8.878 -0.090 13.721 139 1HD1 LEU 18 1HD1 LEU 18 -11.401 -0.523 14.418 140 2HD1 LEU 18 3HD1 LEU 18 -10.734 -2.025 15.057 141 3HD1 LEU 18 2HD1 LEU 18 -10.130 -0.474 15.640 142 1HD2 LEU 18 1HD2 LEU 18 -8.813 -3.013 13.245 143 2HD2 LEU 18 3HD2 LEU 18 -7.495 -1.905 13.628 144 3HD2 LEU 18 2HD2 LEU 18 -8.540 -2.510 14.913 145 H LYS 19 HN LYS 19 -8.484 1.304 11.549 146 HA LYS 19 HA LYS 19 -7.980 2.630 13.972 147 1HB LYS 19 2HB LYS 19 -7.308 3.268 11.088 148 2HB LYS 19 1HB LYS 19 -6.607 4.156 12.440 149 1HG LYS 19 2HG LYS 19 -5.809 1.963 13.379 150 2HG LYS 19 1HG LYS 19 -6.371 1.181 11.902 151 1HD LYS 19 2HD LYS 19 -4.875 2.615 10.567 152 2HD LYS 19 1HD LYS 19 -4.322 3.416 12.037 153 1HE LYS 19 2HE LYS 19 -4.094 0.545 12.345 154 2HE LYS 19 1HE LYS 19 -3.238 1.075 10.884 155 1HZ LYS 19 2HZ LYS 19 -2.533 3.028 12.457 156 2HZ LYS 19 1HZ LYS 19 -2.840 1.892 13.681 157 3HZ LYS 19 3HZ LYS 19 -1.682 1.558 12.488 158 H ASP 20 HN ASP 20 -9.689 3.883 11.090 159 HA ASP 20 HA ASP 20 -10.681 6.168 12.761 160 1HB ASP 20 2HB ASP 20 -10.934 7.296 10.563 161 2HB ASP 20 1HB ASP 20 -9.278 6.740 10.808 162 H LEU 21 HN LEU 21 -11.612 3.215 11.491 163 HA LEU 21 HA LEU 21 -13.705 2.248 10.954 164 1HB LEU 21 2HB LEU 21 -13.704 3.165 13.418 165 2HB LEU 21 1HB LEU 21 -14.851 4.343 12.780 166 HG LEU 21 HG LEU 21 -16.260 2.606 13.485 167 1HD1 LEU 21 3HD1 LEU 21 -15.551 1.954 10.609 168 2HD1 LEU 21 2HD1 LEU 21 -17.021 1.432 11.432 169 3HD1 LEU 21 1HD1 LEU 21 -16.735 3.149 11.142 170 1HD2 LEU 21 2HD2 LEU 21 -13.924 1.081 13.393 171 2HD2 LEU 21 1HD2 LEU 21 -15.516 0.516 13.903 172 3HD2 LEU 21 3HD2 LEU 21 -14.996 0.299 12.232 173 H GLN 22 HN GLN 22 -14.298 2.734 8.850 174 HA GLN 22 HA GLN 22 -15.728 5.334 8.405 175 1HB GLN 22 2HB GLN 22 -13.997 3.637 6.577 176 2HB GLN 22 1HB GLN 22 -14.887 5.065 6.047 177 1HG GLN 22 2HG GLN 22 -13.653 6.452 7.659 178 2HG GLN 22 1HG GLN 22 -12.789 5.028 8.240 179 1HE2 GLN 22 1HE2 GLN 22 -11.452 7.315 7.042 180 2HE2 GLN 22 2HE2 GLN 22 -10.737 6.790 5.595 181 H GLU 23 HN GLU 23 -17.411 5.153 6.633 182 HA GLU 23 HA GLU 23 -19.435 3.340 7.101 183 1HB GLU 23 2HB GLU 23 -18.576 5.133 4.981 184 2HB GLU 23 1HB GLU 23 -19.433 3.742 4.318 185 1HG GLU 23 2HG GLU 23 -21.126 5.349 4.808 186 2HG GLU 23 1HG GLU 23 -21.208 4.172 6.119 187 HA PRO 24 HA PRO 24 -18.384 -0.678 5.714 188 1HB PRO 24 2HB PRO 24 -20.616 -0.987 3.926 189 2HB PRO 24 1HB PRO 24 -20.447 -1.598 5.574 190 1HG PRO 24 2HG PRO 24 -22.117 0.550 4.648 191 2HG PRO 24 1HG PRO 24 -21.952 -0.063 6.294 192 1HD PRO 24 2HD PRO 24 -20.981 2.439 5.233 193 2HD PRO 24 1HD PRO 24 -20.805 1.815 6.891 194 H GLN 25 HN GLN 25 -16.636 0.648 4.395 195 HA GLN 25 HA GLN 25 -17.108 0.807 1.494 196 1HB GLN 25 2HB GLN 25 -14.669 1.201 3.260 197 2HB GLN 25 1HB GLN 25 -14.744 1.608 1.546 198 1HG GLN 25 2HG GLN 25 -16.571 3.193 1.987 199 2HG GLN 25 1HG GLN 25 -16.545 2.765 3.698 200 1HE2 GLN 25 1HE2 GLN 25 -16.073 5.449 2.950 201 2HE2 GLN 25 2HE2 GLN 25 -14.443 5.832 3.233 202 H GLU 26 HN GLU 26 -16.844 -1.796 3.324 203 HA GLU 26 HA GLU 26 -14.635 -3.346 2.615 204 1HB GLU 26 2HB GLU 26 -17.355 -3.687 3.547 205 2HB GLU 26 1HB GLU 26 -16.910 -5.010 2.468 206 1HG GLU 26 2HG GLU 26 -14.770 -4.295 4.341 207 2HG GLU 26 1HG GLU 26 -16.240 -4.831 5.152 208 HA PRO 27 HA PRO 27 -17.069 -4.717 -1.390 209 1HB PRO 27 2HB PRO 27 -18.700 -2.457 -2.111 210 2HB PRO 27 1HB PRO 27 -19.221 -4.096 -1.716 211 1HG PRO 27 2HG PRO 27 -19.503 -1.715 -0.126 212 2HG PRO 27 1HG PRO 27 -20.049 -3.349 0.257 213 1HD PRO 27 2HD PRO 27 -17.876 -1.897 1.453 214 2HD PRO 27 1HD PRO 27 -18.388 -3.564 1.806 215 H ARG 28 HN ARG 28 -15.745 -1.651 -0.541 216 HA ARG 28 HA ARG 28 -14.600 -1.377 -3.303 217 1HB ARG 28 2HB ARG 28 -16.325 0.332 -2.603 218 2HB ARG 28 1HB ARG 28 -15.231 0.821 -1.309 219 1HG ARG 28 2HG ARG 28 -13.499 1.381 -2.957 220 2HG ARG 28 1HG ARG 28 -14.547 0.836 -4.266 221 1HD ARG 28 2HD ARG 28 -14.759 3.244 -4.154 222 2HD ARG 28 1HD ARG 28 -16.244 2.576 -3.452 223 HE ARG 28 HE ARG 28 -15.559 3.559 -1.417 224 1HH1 ARG 28 1HH1 ARG 28 -13.311 1.657 -0.998 225 2HH1 ARG 28 2HH1 ARG 28 -11.938 2.710 -0.916 226 1HH2 ARG 28 1HH2 ARG 28 -13.586 5.406 -2.341 227 2HH2 ARG 28 2HH2 ARG 28 -12.094 4.832 -1.676 228 H VAL 29 HN VAL 29 -12.405 -1.650 -3.275 229 HA VAL 29 HA VAL 29 -10.938 -1.028 -0.731 230 HB VAL 29 HB VAL 29 -10.369 -3.137 -2.840 231 1HG1 VAL 29 2HG1 VAL 29 -8.958 -2.148 -0.427 232 2HG1 VAL 29 1HG1 VAL 29 -9.061 -3.902 -0.583 233 3HG1 VAL 29 3HG1 VAL 29 -8.312 -2.944 -1.860 234 1HG2 VAL 29 1HG2 VAL 29 -12.480 -3.400 -1.387 235 2HG2 VAL 29 3HG2 VAL 29 -11.327 -4.736 -1.365 236 3HG2 VAL 29 2HG2 VAL 29 -11.373 -3.588 -0.025 237 H GLY 30 HN GLY 30 -9.177 0.333 -0.950 238 1HA GLY 30 1HA GLY 30 -7.904 2.009 -2.035 239 2HA GLY 30 2HA GLY 30 -8.719 1.601 -3.546 240 H LYS 31 HN LYS 31 -6.691 1.557 -4.685 241 HA LYS 31 HA LYS 31 -5.456 -0.986 -4.949 242 1HB LYS 31 2HB LYS 31 -4.499 1.814 -5.624 243 2HB LYS 31 1HB LYS 31 -3.785 0.335 -6.267 244 1HG LYS 31 2HG LYS 31 -6.025 -0.283 -7.195 245 2HG LYS 31 1HG LYS 31 -6.645 1.275 -6.648 246 1HD LYS 31 2HD LYS 31 -4.876 2.399 -8.025 247 2HD LYS 31 1HD LYS 31 -4.415 0.816 -8.651 248 1HE LYS 31 2HE LYS 31 -5.930 1.551 -10.293 249 2HE LYS 31 1HE LYS 31 -7.005 0.640 -9.216 250 1HZ LYS 31 2HZ LYS 31 -7.244 2.793 -7.942 251 2HZ LYS 31 1HZ LYS 31 -6.516 3.567 -9.267 252 3HZ LYS 31 3HZ LYS 31 -7.993 2.757 -9.466 253 H LEU 32 HN LEU 32 -4.556 1.829 -2.979 254 HA LEU 32 HA LEU 32 -2.284 0.233 -1.841 255 1HB LEU 32 2HB LEU 32 -1.776 2.366 -3.049 256 2HB LEU 32 1HB LEU 32 -2.777 3.229 -1.881 257 HG LEU 32 HG LEU 32 -1.294 2.258 -0.060 258 1HD1 LEU 32 1HD1 LEU 32 -0.083 1.079 -2.477 259 2HD1 LEU 32 3HD1 LEU 32 1.078 1.814 -1.370 260 3HD1 LEU 32 2HD1 LEU 32 0.001 0.540 -0.800 261 1HD2 LEU 32 2HD2 LEU 32 -0.391 4.212 -2.152 262 2HD2 LEU 32 1HD2 LEU 32 -0.840 4.505 -0.471 263 3HD2 LEU 32 3HD2 LEU 32 0.719 3.776 -0.854 264 H ARG 33 HN ARG 33 -2.447 -0.321 0.305 265 HA ARG 33 HA ARG 33 -4.588 1.011 1.934 266 1HB ARG 33 2HB ARG 33 -4.761 -1.183 3.065 267 2HB ARG 33 1HB ARG 33 -4.988 -1.362 1.326 268 1HG ARG 33 2HG ARG 33 -2.577 -1.975 1.115 269 2HG ARG 33 1HG ARG 33 -2.432 -1.894 2.871 270 1HD ARG 33 2HD ARG 33 -2.825 -4.209 2.378 271 2HD ARG 33 1HD ARG 33 -4.396 -3.588 2.922 272 HE ARG 33 HE ARG 33 -4.748 -3.141 0.357 273 1HH1 ARG 33 1HH1 ARG 33 -5.419 -5.917 1.335 274 2HH1 ARG 33 2HH1 ARG 33 -4.565 -6.905 0.197 275 1HH2 ARG 33 1HH2 ARG 33 -2.557 -4.320 -0.945 276 2HH2 ARG 33 2HH2 ARG 33 -2.945 -6.002 -1.093 277 H ASN 34 HN ASN 34 -2.224 2.340 1.971 278 HA ASN 34 HA ASN 34 -0.941 1.482 4.547 279 1HB ASN 34 2HB ASN 34 1.160 2.206 3.623 280 2HB ASN 34 1HB ASN 34 0.387 1.216 2.386 281 1HD2 ASN 34 1HD2 ASN 34 2.295 3.079 1.539 282 2HD2 ASN 34 2HD2 ASN 34 1.530 4.368 0.742 283 H PHE 35 HN PHE 35 -2.930 3.741 3.184 284 HA PHE 35 HA PHE 35 -1.801 6.225 4.146 285 1HB PHE 35 2HB PHE 35 -4.292 5.178 2.951 286 2HB PHE 35 1HB PHE 35 -4.517 6.595 3.979 287 HD1 PHE 35 HD1 PHE 35 -3.050 8.645 3.564 288 HD2 PHE 35 HD2 PHE 35 -3.367 5.388 0.780 289 HE1 PHE 35 HE1 PHE 35 -2.164 10.099 1.762 290 HE2 PHE 35 HE2 PHE 35 -2.481 6.843 -1.023 291 HZ PHE 35 HZ PHE 35 -1.881 9.199 -0.532 292 H ALA 36 HN ALA 36 -3.110 3.569 5.794 293 HA ALA 36 HA ALA 36 -4.621 4.811 7.881 294 1HB ALA 36 3HB ALA 36 -4.883 2.576 8.126 295 2HB ALA 36 1HB ALA 36 -3.314 2.561 8.928 296 3HB ALA 36 2HB ALA 36 -3.422 2.249 7.196 297 HA PRO 37 HA PRO 37 -1.585 6.910 10.277 298 1HB PRO 37 2HB PRO 37 -2.778 6.078 12.760 299 2HB PRO 37 1HB PRO 37 -2.953 7.629 11.936 300 1HG PRO 37 2HG PRO 37 -4.905 5.540 12.202 301 2HG PRO 37 1HG PRO 37 -5.081 7.089 11.374 302 1HD PRO 37 2HD PRO 37 -4.855 4.462 10.194 303 2HD PRO 37 1HD PRO 37 -5.039 6.022 9.359 304 H ILE 38 HN ILE 38 -0.993 5.929 13.018 305 HA ILE 38 HA ILE 38 0.530 3.440 12.316 306 HB ILE 38 HB ILE 38 2.158 4.434 14.063 307 1HG1 ILE 38 2HG1 ILE 38 0.241 6.135 14.693 308 2HG1 ILE 38 1HG1 ILE 38 1.924 6.658 14.716 309 1HG2 ILE 38 1HG2 ILE 38 1.634 5.344 11.276 310 2HG2 ILE 38 3HG2 ILE 38 2.793 6.285 12.213 311 3HG2 ILE 38 2HG2 ILE 38 3.061 4.562 11.954 312 1HD1 ILE 38 2HD1 ILE 38 0.611 6.908 12.085 313 2HD1 ILE 38 1HD1 ILE 38 -0.075 7.937 13.341 314 3HD1 ILE 38 3HD1 ILE 38 1.639 8.056 12.943 315 HA PRO 39 HA PRO 39 -1.249 1.380 15.751 316 1HB PRO 39 2HB PRO 39 1.254 0.465 16.831 317 2HB PRO 39 1HB PRO 39 0.110 -0.431 15.830 318 1HG PRO 39 2HG PRO 39 2.691 0.584 15.081 319 2HG PRO 39 1HG PRO 39 1.544 -0.307 14.080 320 1HD PRO 39 2HD PRO 39 2.231 2.493 13.922 321 2HD PRO 39 1HD PRO 39 1.079 1.592 12.909 322 H GLY 40 HN GLY 40 -1.488 1.561 18.089 323 1HA GLY 40 1HA GLY 40 -0.222 4.022 19.180 324 2HA GLY 40 2HA GLY 40 -0.111 2.534 20.116 325 H GLU 41 HN GLU 41 -3.009 2.226 18.635 326 HA GLU 41 HA GLU 41 -4.431 3.500 20.943 327 1HB GLU 41 2HB GLU 41 -4.406 4.427 18.340 328 2HB GLU 41 1HB GLU 41 -5.875 3.451 18.383 329 1HG GLU 41 2HG GLU 41 -5.907 4.852 20.801 330 2HG GLU 41 1HG GLU 41 -5.343 6.035 19.621 331 HA PRO 42 HA PRO 42 -5.488 -1.039 20.059 332 1HB PRO 42 2HB PRO 42 -4.965 -1.516 22.848 333 2HB PRO 42 1HB PRO 42 -4.082 -2.144 21.453 334 1HG PRO 42 2HG PRO 42 -3.219 -0.152 23.330 335 2HG PRO 42 1HG PRO 42 -2.346 -0.766 21.924 336 1HD PRO 42 2HD PRO 42 -3.580 1.830 22.257 337 2HD PRO 42 1HD PRO 42 -2.675 1.219 20.852 338 H VAL 43 HN VAL 43 -7.608 -1.715 20.460 339 HA VAL 43 HA VAL 43 -9.085 -0.492 22.753 340 HB VAL 43 HB VAL 43 -10.951 -0.063 21.066 341 1HG1 VAL 43 1HG1 VAL 43 -9.387 1.696 21.943 342 2HG1 VAL 43 3HG1 VAL 43 -8.353 1.407 20.543 343 3HG1 VAL 43 2HG1 VAL 43 -9.987 2.032 20.319 344 1HG2 VAL 43 3HG2 VAL 43 -9.427 -1.608 19.408 345 2HG2 VAL 43 2HG2 VAL 43 -10.649 -0.469 18.842 346 3HG2 VAL 43 1HG2 VAL 43 -8.952 0.009 18.888 347 H VAL 44 HN VAL 44 -9.979 -2.209 23.847 348 HA VAL 44 HA VAL 44 -11.282 -4.377 22.272 349 HB VAL 44 HB VAL 44 -9.125 -4.702 24.381 350 1HG1 VAL 44 2HG1 VAL 44 -11.310 -6.460 23.536 351 2HG1 VAL 44 1HG1 VAL 44 -9.724 -7.204 23.335 352 3HG1 VAL 44 3HG1 VAL 44 -10.224 -6.609 24.918 353 1HG2 VAL 44 3HG2 VAL 44 -8.557 -4.228 21.901 354 2HG2 VAL 44 2HG2 VAL 44 -7.803 -5.632 22.653 355 3HG2 VAL 44 1HG2 VAL 44 -9.192 -5.842 21.586 356 HA PRO 45 HA PRO 45 -13.511 -2.763 26.124 357 1HB PRO 45 2HB PRO 45 -15.831 -2.536 24.439 358 2HB PRO 45 1HB PRO 45 -14.928 -1.239 25.225 359 1HG PRO 45 2HG PRO 45 -14.996 -1.906 22.429 360 2HG PRO 45 1HG PRO 45 -14.105 -0.600 23.212 361 1HD PRO 45 2HD PRO 45 -13.039 -3.025 22.073 362 2HD PRO 45 1HD PRO 45 -12.145 -1.718 22.882 363 H ILE 46 HN ILE 46 -16.052 -3.656 26.477 364 HA ILE 46 HA ILE 46 -15.806 -6.480 26.825 365 HB ILE 46 HB ILE 46 -18.212 -4.633 26.716 366 1HG1 ILE 46 2HG1 ILE 46 -16.632 -5.677 29.084 367 2HG1 ILE 46 1HG1 ILE 46 -16.410 -4.077 28.377 368 1HG2 ILE 46 1HG2 ILE 46 -18.046 -7.489 26.946 369 2HG2 ILE 46 3HG2 ILE 46 -18.577 -6.828 28.493 370 3HG2 ILE 46 2HG2 ILE 46 -19.480 -6.467 27.022 371 1HD1 ILE 46 3HD1 ILE 46 -19.163 -4.253 28.732 372 2HD1 ILE 46 2HD1 ILE 46 -18.511 -5.038 30.171 373 3HD1 ILE 46 1HD1 ILE 46 -18.043 -3.383 29.782 374 H LEU 47 HN LEU 47 -17.115 -4.540 24.180 375 HA LEU 47 HA LEU 47 -17.537 -7.070 22.628 376 1HB LEU 47 2HB LEU 47 -19.582 -5.914 21.701 377 2HB LEU 47 1HB LEU 47 -19.692 -6.283 23.421 378 HG LEU 47 HG LEU 47 -18.437 -3.727 23.136 379 1HD1 LEU 47 3HD1 LEU 47 -19.692 -3.897 20.878 380 2HD1 LEU 47 2HD1 LEU 47 -21.163 -3.775 21.843 381 3HD1 LEU 47 1HD1 LEU 47 -19.982 -2.465 21.866 382 1HD2 LEU 47 1HD2 LEU 47 -19.861 -4.712 25.015 383 2HD2 LEU 47 3HD2 LEU 47 -20.203 -3.034 24.593 384 3HD2 LEU 47 2HD2 LEU 47 -21.267 -4.321 24.024 385 H CYS 48 HN CYS 48 -15.186 -5.806 22.270 386 HA CYS 48 HA CYS 48 -13.835 -4.751 20.640 387 1HB CYS 48 2HB CYS 48 -16.176 -5.954 19.387 388 2HB CYS 48 1HB CYS 48 -15.579 -4.582 18.452 389 H SER 49 HN SER 49 -13.356 -2.595 20.342 390 HA SER 49 HA SER 49 -15.217 -0.545 21.156 391 1HB SER 49 2HB SER 49 -12.711 -0.525 21.339 392 2HB SER 49 1HB SER 49 -12.632 -0.330 19.588 393 HG SER 49 HG SER 49 -13.895 1.414 21.433 394 H ASN 50 HN ASN 50 -13.731 -1.198 17.978 395 HA ASN 50 HA ASN 50 -15.561 0.599 16.588 396 1HB ASN 50 2HB ASN 50 -13.335 -1.300 15.929 397 2HB ASN 50 1HB ASN 50 -14.349 -0.696 14.621 398 1HD2 ASN 50 1HD2 ASN 50 -14.815 1.924 15.217 399 2HD2 ASN 50 2HD2 ASN 50 -13.368 2.790 15.407 400 HA PRO 51 HA PRO 51 -18.749 -2.597 16.483 401 1HB PRO 51 2HB PRO 51 -20.301 -0.774 14.890 402 2HB PRO 51 1HB PRO 51 -20.522 -1.192 16.591 403 1HG PRO 51 2HG PRO 51 -19.555 1.278 15.500 404 2HG PRO 51 1HG PRO 51 -19.749 0.849 17.202 405 1HD PRO 51 2HD PRO 51 -17.288 1.137 15.705 406 2HD PRO 51 1HD PRO 51 -17.485 0.748 17.429 407 H ASN 52 HN ASN 52 -16.985 -1.077 13.961 408 HA ASN 52 HA ASN 52 -17.941 -3.155 12.020 409 1HB ASN 52 2HB ASN 52 -17.745 -0.217 11.887 410 2HB ASN 52 1HB ASN 52 -17.046 -1.044 10.494 411 1HD2 ASN 52 1HD2 ASN 52 -19.783 -2.286 12.422 412 2HD2 ASN 52 2HD2 ASN 52 -20.928 -2.175 11.173 413 H PHE 53 HN PHE 53 -15.666 -3.327 13.853 414 HA PHE 53 HA PHE 53 -13.231 -2.760 12.317 415 1HB PHE 53 2HB PHE 53 -12.175 -3.397 14.305 416 2HB PHE 53 1HB PHE 53 -13.754 -2.917 14.920 417 HD1 PHE 53 HD1 PHE 53 -15.582 -4.793 15.010 418 HD2 PHE 53 HD2 PHE 53 -11.358 -5.555 14.779 419 HE1 PHE 53 HE1 PHE 53 -15.944 -7.078 15.900 420 HE2 PHE 53 HE2 PHE 53 -11.722 -7.847 15.673 421 HZ PHE 53 HZ PHE 53 -14.017 -8.602 16.231 422 HA PRO 54 HA PRO 54 -12.569 -6.564 10.211 423 1HB PRO 54 2HB PRO 54 -10.464 -7.648 11.857 424 2HB PRO 54 1HB PRO 54 -10.316 -6.855 10.291 425 1HG PRO 54 2HG PRO 54 -9.603 -5.832 12.889 426 2HG PRO 54 1HG PRO 54 -9.409 -5.046 11.320 427 1HD PRO 54 2HD PRO 54 -11.262 -4.359 13.390 428 2HD PRO 54 1HD PRO 54 -11.151 -3.640 11.768 429 H GLU 55 HN GLU 55 -14.722 -7.145 11.306 430 HA GLU 55 HA GLU 55 -15.144 -8.562 13.634 431 1HB GLU 55 2HB GLU 55 -16.812 -7.892 11.911 432 2HB GLU 55 1HB GLU 55 -16.255 -9.224 10.891 433 1HG GLU 55 2HG GLU 55 -16.840 -10.825 12.703 434 2HG GLU 55 1HG GLU 55 -17.458 -9.484 13.665 435 H GLU 56 HN GLU 56 -13.633 -9.800 10.664 436 HA GLU 56 HA GLU 56 -13.603 -12.573 11.241 437 1HB GLU 56 2HB GLU 56 -11.522 -10.756 9.972 438 2HB GLU 56 1HB GLU 56 -11.528 -12.514 9.826 439 1HG GLU 56 2HG GLU 56 -13.772 -10.676 8.934 440 2HG GLU 56 1HG GLU 56 -12.593 -11.434 7.864 441 H LEU 57 HN LEU 57 -12.073 -9.931 12.792 442 HA LEU 57 HA LEU 57 -10.075 -11.607 14.222 443 1HB LEU 57 2HB LEU 57 -10.700 -8.654 13.980 444 2HB LEU 57 1HB LEU 57 -9.516 -9.262 15.138 445 HG LEU 57 HG LEU 57 -8.322 -10.389 13.274 446 1HD1 LEU 57 3HD1 LEU 57 -10.666 -9.344 11.786 447 2HD1 LEU 57 2HD1 LEU 57 -9.111 -9.233 10.964 448 3HD1 LEU 57 1HD1 LEU 57 -9.715 -10.799 11.507 449 1HD2 LEU 57 1HD2 LEU 57 -8.464 -7.603 13.841 450 2HD2 LEU 57 3HD2 LEU 57 -7.094 -8.502 13.189 451 3HD2 LEU 57 2HD2 LEU 57 -8.270 -7.771 12.096 452 H LYS 58 HN LYS 58 -13.147 -11.507 14.500 453 HA LYS 58 HA LYS 58 -14.134 -10.420 16.835 454 1HB LYS 58 2HB LYS 58 -14.815 -12.422 15.018 455 2HB LYS 58 1HB LYS 58 -14.806 -13.252 16.575 456 1HG LYS 58 2HG LYS 58 -16.048 -10.680 16.895 457 2HG LYS 58 1HG LYS 58 -16.810 -11.520 15.544 458 1HD LYS 58 2HD LYS 58 -17.526 -13.292 16.879 459 2HD LYS 58 1HD LYS 58 -16.268 -13.023 18.086 460 1HE LYS 58 2HE LYS 58 -18.307 -10.861 17.661 461 2HE LYS 58 1HE LYS 58 -18.770 -12.296 18.595 462 1HZ LYS 58 2HZ LYS 58 -16.276 -10.741 19.051 463 2HZ LYS 58 1HZ LYS 58 -17.700 -10.516 19.948 464 3HZ LYS 58 3HZ LYS 58 -16.885 -12.001 20.014 465 HA PRO 59 HA PRO 59 -12.315 -14.206 19.341 466 1HB PRO 59 2HB PRO 59 -9.878 -14.882 17.958 467 2HB PRO 59 1HB PRO 59 -11.272 -15.918 18.279 468 1HG PRO 59 2HG PRO 59 -10.462 -14.723 15.771 469 2HG PRO 59 1HG PRO 59 -11.789 -15.847 16.070 470 1HD PRO 59 2HD PRO 59 -11.999 -13.080 15.426 471 2HD PRO 59 1HD PRO 59 -13.324 -14.161 15.912 472 H LEU 60 HN LEU 60 -9.908 -12.308 17.442 473 HA LEU 60 HA LEU 60 -8.031 -11.758 19.422 474 1HB LEU 60 2HB LEU 60 -7.958 -11.075 17.036 475 2HB LEU 60 1HB LEU 60 -9.220 -9.882 17.349 476 HG LEU 60 HG LEU 60 -7.107 -9.569 19.279 477 1HD1 LEU 60 3HD1 LEU 60 -6.235 -10.314 16.618 478 2HD1 LEU 60 2HD1 LEU 60 -5.744 -8.661 16.988 479 3HD1 LEU 60 1HD1 LEU 60 -5.264 -9.982 18.053 480 1HD2 LEU 60 3HD2 LEU 60 -8.271 -7.901 17.038 481 2HD2 LEU 60 2HD2 LEU 60 -8.614 -7.781 18.764 482 3HD2 LEU 60 1HD2 LEU 60 -7.040 -7.286 18.142 483 H CYS 61 HN CYS 61 -11.036 -9.921 18.759 484 HA CYS 61 HA CYS 61 -10.748 -8.052 20.905 485 1HB CYS 61 2HB CYS 61 -13.133 -9.180 19.411 486 2HB CYS 61 1HB CYS 61 -13.236 -7.803 20.509 487 H LYS 62 HN LYS 62 -11.827 -11.385 20.842 488 HA LYS 62 HA LYS 62 -13.088 -11.198 23.511 489 1HB LYS 62 2HB LYS 62 -13.993 -12.553 21.609 490 2HB LYS 62 1HB LYS 62 -12.551 -13.564 21.690 491 1HG LYS 62 2HG LYS 62 -13.101 -14.105 24.059 492 2HG LYS 62 1HG LYS 62 -14.581 -13.158 23.909 493 1HD LYS 62 2HD LYS 62 -15.311 -14.642 22.050 494 2HD LYS 62 1HD LYS 62 -13.855 -15.611 22.277 495 1HE LYS 62 2HE LYS 62 -15.041 -15.340 24.846 496 2HE LYS 62 1HE LYS 62 -16.343 -15.775 23.721 497 1HZ LYS 62 1HZ LYS 62 -13.685 -17.105 23.786 498 2HZ LYS 62 3HZ LYS 62 -15.055 -17.714 24.579 499 3HZ LYS 62 2HZ LYS 62 -15.045 -17.580 22.886 500 H GLU 63 HN GLU 63 -9.945 -11.264 22.563 501 HA GLU 63 HA GLU 63 -9.157 -12.989 24.891 502 1HB GLU 63 2HB GLU 63 -7.110 -13.490 23.494 503 2HB GLU 63 1HB GLU 63 -8.617 -14.099 22.810 504 1HG GLU 63 2HG GLU 63 -8.754 -12.192 21.303 505 2HG GLU 63 1HG GLU 63 -7.331 -11.461 22.046 506 HA PRO 64 HA PRO 64 -7.195 -9.402 26.515 507 1HB PRO 64 2HB PRO 64 -5.084 -10.976 27.673 508 2HB PRO 64 1HB PRO 64 -6.512 -10.314 28.472 509 1HG PRO 64 2HG PRO 64 -5.966 -13.057 27.829 510 2HG PRO 64 1HG PRO 64 -7.399 -12.394 28.618 511 1HD PRO 64 2HD PRO 64 -7.175 -13.444 25.934 512 2HD PRO 64 1HD PRO 64 -8.623 -12.789 26.736 513 H ASN 65 HN ASN 65 -5.671 -11.602 24.345 514 HA ASN 65 HA ASN 65 -3.112 -10.196 24.150 515 1HB ASN 65 2HB ASN 65 -4.529 -12.260 22.433 516 2HB ASN 65 1HB ASN 65 -2.852 -11.761 22.207 517 1HD2 ASN 65 1HD2 ASN 65 -3.498 -14.472 22.856 518 2HD2 ASN 65 2HD2 ASN 65 -2.930 -14.801 24.422 519 H ALA 66 HN ALA 66 -6.273 -9.901 22.688 520 HA ALA 66 HA ALA 66 -5.812 -8.737 20.207 521 1HB ALA 66 2HB ALA 66 -7.857 -8.838 22.196 522 2HB ALA 66 3HB ALA 66 -8.037 -8.468 20.480 523 3HB ALA 66 1HB ALA 66 -7.743 -7.170 21.637 524 H GLN 67 HN GLN 67 -5.494 -7.196 23.405 525 HA GLN 67 HA GLN 67 -4.938 -4.543 22.484 526 1HB GLN 67 2HB GLN 67 -4.062 -6.090 24.947 527 2HB GLN 67 1HB GLN 67 -3.943 -4.339 24.775 528 1HG GLN 67 2HG GLN 67 -6.406 -4.244 24.400 529 2HG GLN 67 1HG GLN 67 -6.490 -5.982 24.683 530 1HE2 GLN 67 1HE2 GLN 67 -4.057 -5.018 26.697 531 2HE2 GLN 67 2HE2 GLN 67 -4.951 -4.684 28.100 532 H GLU 68 HN GLU 68 -2.891 -7.388 23.014 533 HA GLU 68 HA GLU 68 -0.403 -5.960 22.398 534 1HB GLU 68 2HB GLU 68 -1.190 -8.870 22.759 535 2HB GLU 68 1HB GLU 68 0.471 -8.336 22.506 536 1HG GLU 68 2HG GLU 68 0.309 -6.904 24.521 537 2HG GLU 68 1HG GLU 68 -1.343 -7.466 24.778 538 H ILE 69 HN ILE 69 -2.642 -8.178 20.752 539 HA ILE 69 HA ILE 69 -1.086 -8.443 18.324 540 HB ILE 69 HB ILE 69 -4.057 -8.760 18.880 541 1HG1 ILE 69 2HG1 ILE 69 -1.857 -10.847 18.902 542 2HG1 ILE 69 1HG1 ILE 69 -2.545 -10.115 20.352 543 1HG2 ILE 69 1HG2 ILE 69 -2.271 -9.471 16.574 544 2HG2 ILE 69 3HG2 ILE 69 -3.642 -10.513 16.953 545 3HG2 ILE 69 2HG2 ILE 69 -3.908 -8.816 16.555 546 1HD1 ILE 69 2HD1 ILE 69 -4.204 -11.548 18.257 547 2HD1 ILE 69 1HD1 ILE 69 -3.582 -12.334 19.708 548 3HD1 ILE 69 3HD1 ILE 69 -4.734 -11.006 19.849 549 H LEU 70 HN LEU 70 -3.899 -6.440 19.235 550 HA LEU 70 HA LEU 70 -4.550 -5.117 16.921 551 1HB LEU 70 2HB LEU 70 -5.578 -4.696 19.086 552 2HB LEU 70 1HB LEU 70 -4.082 -3.998 19.702 553 HG LEU 70 HG LEU 70 -5.964 -2.393 18.870 554 1HD1 LEU 70 2HD1 LEU 70 -3.366 -2.033 19.294 555 2HD1 LEU 70 1HD1 LEU 70 -3.342 -1.822 17.544 556 3HD1 LEU 70 3HD1 LEU 70 -4.342 -0.771 18.546 557 1HD2 LEU 70 3HD2 LEU 70 -6.166 -3.729 16.693 558 2HD2 LEU 70 2HD2 LEU 70 -6.054 -1.977 16.524 559 3HD2 LEU 70 1HD2 LEU 70 -4.640 -2.985 16.219 560 H GLN 71 HN GLN 71 -2.160 -3.606 19.135 561 HA GLN 71 HA GLN 71 -1.093 -1.684 17.466 562 1HB GLN 71 2HB GLN 71 0.356 -3.567 19.352 563 2HB GLN 71 1HB GLN 71 1.004 -2.031 18.778 564 1HG GLN 71 2HG GLN 71 -1.024 -0.897 19.745 565 2HG GLN 71 1HG GLN 71 -1.493 -2.444 20.450 566 1HE2 GLN 71 1HE2 GLN 71 1.811 -2.553 20.496 567 2HE2 GLN 71 2HE2 GLN 71 2.103 -1.888 22.029 568 H ARG 72 HN ARG 72 0.120 -5.061 17.652 569 HA ARG 72 HA ARG 72 2.072 -4.915 15.625 570 1HB ARG 72 2HB ARG 72 0.171 -7.161 16.376 571 2HB ARG 72 1HB ARG 72 1.677 -7.372 15.483 572 1HG ARG 72 2HG ARG 72 2.969 -6.542 17.365 573 2HG ARG 72 1HG ARG 72 1.497 -6.128 18.243 574 1HD ARG 72 2HD ARG 72 0.891 -8.461 18.469 575 2HD ARG 72 1HD ARG 72 2.200 -8.955 17.378 576 HE ARG 72 HE ARG 72 3.809 -8.170 19.084 577 1HH1 ARG 72 1HH1 ARG 72 2.416 -10.238 20.609 578 2HH1 ARG 72 2HH1 ARG 72 1.885 -9.403 22.030 579 1HH2 ARG 72 1HH2 ARG 72 2.297 -6.246 20.650 580 2HH2 ARG 72 2HH2 ARG 72 1.817 -7.141 22.054 581 H LEU 73 HN LEU 73 -1.288 -6.118 15.204 582 HA LEU 73 HA LEU 73 -1.357 -6.386 12.432 583 1HB LEU 73 2HB LEU 73 -3.454 -5.272 14.326 584 2HB LEU 73 1HB LEU 73 -3.793 -5.909 12.716 585 HG LEU 73 HG LEU 73 -2.668 -7.418 15.090 586 1HD1 LEU 73 2HD1 LEU 73 -5.199 -7.630 13.438 587 2HD1 LEU 73 1HD1 LEU 73 -4.685 -8.863 14.589 588 3HD1 LEU 73 3HD1 LEU 73 -5.073 -7.237 15.153 589 1HD2 LEU 73 2HD2 LEU 73 -2.411 -7.886 12.202 590 2HD2 LEU 73 1HD2 LEU 73 -1.531 -8.621 13.540 591 3HD2 LEU 73 3HD2 LEU 73 -3.110 -9.252 13.070 592 H GLU 74 HN GLU 74 -2.235 -3.411 14.237 593 HA GLU 74 HA GLU 74 -2.686 -1.694 12.065 594 1HB GLU 74 2HB GLU 74 -1.326 -1.106 14.716 595 2HB GLU 74 1HB GLU 74 -2.153 0.074 13.699 596 1HG GLU 74 2HG GLU 74 -4.242 -1.325 13.920 597 2HG GLU 74 1HG GLU 74 -3.387 -2.308 15.108 598 H GLU 75 HN GLU 75 0.428 -2.395 13.700 599 HA GLU 75 HA GLU 75 2.077 -0.659 12.180 600 1HB GLU 75 2HB GLU 75 2.681 -1.925 14.242 601 2HB GLU 75 1HB GLU 75 2.680 -3.417 13.301 602 1HG GLU 75 2HG GLU 75 4.429 -2.420 11.812 603 2HG GLU 75 1HG GLU 75 4.486 -1.017 12.878 604 H ILE 76 HN ILE 76 1.349 -4.130 11.609 605 HA ILE 76 HA ILE 76 2.762 -4.364 9.141 606 HB ILE 76 HB ILE 76 0.245 -5.766 10.109 607 1HG1 ILE 76 2HG1 ILE 76 1.909 -5.960 11.824 608 2HG1 ILE 76 1HG1 ILE 76 1.963 -7.471 10.915 609 1HG2 ILE 76 2HG2 ILE 76 2.403 -6.585 8.140 610 2HG2 ILE 76 1HG2 ILE 76 1.106 -7.636 8.707 611 3HG2 ILE 76 3HG2 ILE 76 0.726 -6.206 7.749 612 1HD1 ILE 76 1HD1 ILE 76 3.847 -6.550 9.565 613 2HD1 ILE 76 3HD1 ILE 76 3.822 -5.098 10.566 614 3HD1 ILE 76 2HD1 ILE 76 4.241 -6.655 11.281 615 H ALA 77 HN ALA 77 -0.571 -3.368 9.878 616 HA ALA 77 HA ALA 77 -1.651 -3.250 7.273 617 1HB ALA 77 2HB ALA 77 -2.167 -2.240 9.935 618 2HB ALA 77 3HB ALA 77 -3.322 -2.593 8.651 619 3HB ALA 77 1HB ALA 77 -2.561 -1.005 8.740 620 H GLU 78 HN GLU 78 0.410 -0.918 9.001 621 HA GLU 78 HA GLU 78 0.339 1.328 7.379 622 1HB GLU 78 2HB GLU 78 1.752 0.904 9.412 623 2HB GLU 78 1HB GLU 78 2.829 -0.072 8.412 624 1HG GLU 78 2HG GLU 78 3.193 1.914 6.940 625 2HG GLU 78 1HG GLU 78 2.206 2.874 8.043 626 H ASP 79 HN ASP 79 1.825 -1.786 6.678 627 HA ASP 79 HA ASP 79 2.097 -2.701 4.459 628 1HB ASP 79 2HB ASP 79 0.814 -0.662 3.674 629 2HB ASP 79 1HB ASP 79 2.357 0.184 3.623 630 HA PRO 80 HA PRO 80 6.433 -1.729 5.911 631 1HB PRO 80 2HB PRO 80 6.804 -4.574 5.921 632 2HB PRO 80 1HB PRO 80 6.769 -3.479 7.305 633 1HG PRO 80 2HG PRO 80 4.776 -5.394 6.512 634 2HG PRO 80 1HG PRO 80 4.749 -4.314 7.907 635 1HD PRO 80 2HD PRO 80 3.159 -4.139 5.510 636 2HD PRO 80 1HD PRO 80 3.154 -3.033 6.903 637 H GLY 81 HN GLY 81 5.093 -4.036 3.639 638 1HA GLY 81 1HA GLY 81 7.158 -3.262 1.637 639 2HA GLY 81 2HA GLY 81 5.656 -4.125 1.277 640 H THR 82 HN THR 82 7.643 -4.956 4.014 641 HA THR 82 HA THR 82 9.109 -7.121 2.726 642 HB THR 82 HB THR 82 9.694 -7.625 5.098 643 HG1 THR 82 1HG THR 82 8.758 -6.097 6.643 644 1HG2 THR 82 1HG2 THR 82 9.852 -4.878 3.953 645 2HG2 THR 82 3HG2 THR 82 10.320 -5.075 5.641 646 3HG2 THR 82 2HG2 THR 82 11.148 -5.993 4.384 647 H CYS 83 HN CYS 83 6.192 -6.775 4.732 648 HA CYS 83 HA CYS 83 5.551 -9.551 5.015 649 1HB CYS 83 2HB CYS 83 4.472 -7.671 6.227 650 2HB CYS 83 1HB CYS 83 3.743 -7.126 4.718 651 H GLU 84 HN GLU 84 4.798 -7.211 2.435 652 HA GLU 84 HA GLU 84 3.157 -8.943 0.841 653 1HB GLU 84 2HB GLU 84 4.942 -6.577 0.196 654 2HB GLU 84 1HB GLU 84 3.780 -7.268 -0.938 655 1HG GLU 84 2HG GLU 84 1.967 -6.853 0.731 656 2HG GLU 84 1HG GLU 84 3.149 -6.065 1.775 657 H ILE 85 HN ILE 85 6.665 -8.484 1.046 658 HA ILE 85 HA ILE 85 7.110 -10.340 -1.231 659 HB ILE 85 HB ILE 85 9.423 -9.603 -1.001 660 1HG1 ILE 85 2HG1 ILE 85 8.450 -8.304 1.557 661 2HG1 ILE 85 1HG1 ILE 85 9.576 -9.655 1.441 662 1HG2 ILE 85 3HG2 ILE 85 7.184 -7.829 -1.315 663 2HG2 ILE 85 2HG2 ILE 85 8.493 -6.961 -0.514 664 3HG2 ILE 85 1HG2 ILE 85 8.773 -7.733 -2.074 665 1HD1 ILE 85 3HD1 ILE 85 10.917 -7.974 -0.110 666 2HD1 ILE 85 2HD1 ILE 85 10.005 -6.762 0.789 667 3HD1 ILE 85 1HD1 ILE 85 11.064 -7.882 1.645 668 H CYS 86 HN CYS 86 6.244 -10.879 1.813 669 HA CYS 86 HA CYS 86 6.460 -12.784 3.204 670 1HB CYS 86 2HB CYS 86 6.964 -13.595 0.645 671 2HB CYS 86 1HB CYS 86 8.482 -14.028 1.432 672 H ALA 87 HN ALA 87 8.664 -10.483 2.811 673 HA ALA 87 HA ALA 87 11.174 -11.510 3.663 674 1HB ALA 87 3HB ALA 87 11.123 -9.051 4.753 675 2HB ALA 87 1HB ALA 87 9.685 -8.923 3.740 676 3HB ALA 87 2HB ALA 87 11.247 -9.293 3.010 677 H TYR 88 HN TYR 88 8.275 -10.618 5.503 678 HA TYR 88 HA TYR 88 9.586 -11.728 7.967 679 1HB TYR 88 2HB TYR 88 9.123 -9.211 7.789 680 2HB TYR 88 1HB TYR 88 7.410 -9.627 7.834 681 HD1 TYR 88 HD1 TYR 88 10.580 -10.463 9.678 682 HD2 TYR 88 HD2 TYR 88 6.366 -9.656 9.910 683 HE1 TYR 88 HE1 TYR 88 10.682 -10.639 12.150 684 HE2 TYR 88 HE2 TYR 88 6.468 -9.833 12.381 685 HH TYR 88 HH TYR 88 7.891 -10.871 14.091 686 H ALA 89 HN ALA 89 7.906 -12.622 9.537 687 HA ALA 89 HA ALA 89 6.135 -14.473 8.178 688 1HB ALA 89 3HB ALA 89 6.907 -15.335 10.168 689 2HB ALA 89 1HB ALA 89 5.431 -14.596 10.790 690 3HB ALA 89 2HB ALA 89 6.972 -13.753 10.943 691 H ALA 90 HN ALA 90 5.819 -11.209 8.982 692 HA ALA 90 HA ALA 90 3.217 -10.854 9.953 693 1HB ALA 90 2HB ALA 90 5.093 -9.392 8.146 694 2HB ALA 90 1HB ALA 90 3.442 -8.787 8.277 695 3HB ALA 90 3HB ALA 90 4.452 -8.912 9.717 696 H CYS 91 HN CYS 91 4.239 -11.569 6.615 697 HA CYS 91 HA CYS 91 1.378 -11.577 5.762 698 1HB CYS 91 2HB CYS 91 3.992 -10.985 4.605 699 2HB CYS 91 1HB CYS 91 2.998 -11.996 3.557 700 H THR 92 HN THR 92 0.408 -13.577 5.783 701 HA THR 92 HA THR 92 2.098 -16.018 5.565 702 HB THR 92 HB THR 92 0.201 -17.103 6.553 703 HG1 THR 92 1HG THR 92 -1.136 -14.818 5.604 704 1HG2 THR 92 3HG2 THR 92 1.522 -15.207 7.849 705 2HG2 THR 92 2HG2 THR 92 -0.048 -14.406 7.824 706 3HG2 THR 92 1HG2 THR 92 0.122 -15.989 8.582 707 H GLY 93 HN GLY 93 0.811 -17.858 4.304 708 1HA GLY 93 1HA GLY 93 -0.617 -16.831 1.933 709 2HA GLY 93 2HA GLY 93 -0.384 -18.530 2.345 710 H CYS 94 HN CYS 94 2.525 -16.915 2.726 711 HA CYS 94 HA CYS 94 3.374 -17.553 -0.081 712 1HB CYS 94 2HB CYS 94 5.131 -15.826 0.379 713 2HB CYS 94 1HB CYS 94 3.495 -15.180 0.512 No H/Q in entry = 713 Start of MODEL 28 1 H1 VAL 1 1H VAL 1 -1.054 -10.902 0.069 2 H2 VAL 1 3H VAL 1 0.138 -11.950 -0.529 3 H3 VAL 1 2H VAL 1 -1.166 -12.571 0.365 4 HA VAL 1 HA VAL 1 0.706 -12.538 1.823 5 HB VAL 1 HB VAL 1 1.790 -10.194 2.083 6 1HG1 VAL 1 2HG1 VAL 1 2.195 -12.336 0.224 7 2HG1 VAL 1 1HG1 VAL 1 2.583 -10.817 -0.584 8 3HG1 VAL 1 3HG1 VAL 1 3.398 -11.250 0.918 9 1HG2 VAL 1 2HG2 VAL 1 -0.008 -8.975 0.893 10 2HG2 VAL 1 1HG2 VAL 1 1.555 -8.739 0.112 11 3HG2 VAL 1 3HG2 VAL 1 0.382 -9.857 -0.583 12 H THR 2 HN THR 2 -1.521 -12.799 2.888 13 HA THR 2 HA THR 2 -2.655 -10.354 4.099 14 HB THR 2 HB THR 2 -3.362 -13.288 4.418 15 HG1 THR 2 1HG THR 2 -4.774 -12.933 2.743 16 1HG2 THR 2 2HG2 THR 2 -4.756 -10.695 5.084 17 2HG2 THR 2 1HG2 THR 2 -5.650 -12.202 4.874 18 3HG2 THR 2 3HG2 THR 2 -4.433 -12.067 6.144 19 H VAL 3 HN VAL 3 -2.705 -10.001 6.390 20 HA VAL 3 HA VAL 3 -0.372 -11.006 7.843 21 HB VAL 3 HB VAL 3 -2.718 -9.217 8.559 22 1HG1 VAL 3 1HG1 VAL 3 -0.253 -10.045 10.077 23 2HG1 VAL 3 3HG1 VAL 3 -0.995 -8.472 10.367 24 3HG1 VAL 3 2HG1 VAL 3 -1.919 -9.948 10.646 25 1HG2 VAL 3 1HG2 VAL 3 0.071 -8.756 7.517 26 2HG2 VAL 3 3HG2 VAL 3 -1.450 -8.104 6.914 27 3HG2 VAL 3 2HG2 VAL 3 -0.769 -7.500 8.424 28 H GLN 4 HN GLN 4 -0.593 -13.162 8.491 29 HA GLN 4 HA GLN 4 -3.160 -13.946 9.818 30 1HB GLN 4 2HB GLN 4 -2.331 -15.199 7.808 31 2HB GLN 4 1HB GLN 4 -0.890 -15.640 8.725 32 1HG GLN 4 2HG GLN 4 -2.423 -16.649 10.468 33 2HG GLN 4 1HG GLN 4 -3.761 -16.384 9.350 34 1HE2 GLN 4 1HE2 GLN 4 -4.219 -18.228 8.157 35 2HE2 GLN 4 2HE2 GLN 4 -3.077 -19.377 7.649 36 H ASP 5 HN ASP 5 -3.090 -14.075 12.023 37 HA ASP 5 HA ASP 5 -0.434 -14.214 13.375 38 1HB ASP 5 2HB ASP 5 -3.246 -13.504 14.269 39 2HB ASP 5 1HB ASP 5 -1.847 -13.508 15.343 40 H GLY 6 HN GLY 6 -2.630 -16.383 12.270 41 1HA GLY 6 1HA GLY 6 -3.310 -18.030 14.466 42 2HA GLY 6 2HA GLY 6 -1.708 -18.528 13.924 43 H ASN 7 HN ASN 7 -4.560 -19.720 13.715 44 HA ASN 7 HA ASN 7 -4.178 -20.882 11.057 45 1HB ASN 7 2HB ASN 7 -6.342 -21.139 13.171 46 2HB ASN 7 1HB ASN 7 -6.187 -22.186 11.760 47 1HD2 ASN 7 1HD2 ASN 7 -5.996 -23.253 14.409 48 2HD2 ASN 7 2HD2 ASN 7 -4.402 -23.778 14.665 49 H PHE 8 HN PHE 8 -5.502 -17.994 12.044 50 HA PHE 8 HA PHE 8 -7.555 -18.016 9.854 51 1HB PHE 8 2HB PHE 8 -7.329 -16.338 12.375 52 2HB PHE 8 1HB PHE 8 -8.650 -16.259 11.208 53 HD1 PHE 8 HD1 PHE 8 -7.056 -18.271 13.849 54 HD2 PHE 8 HD2 PHE 8 -10.279 -18.072 11.016 55 HE1 PHE 8 HE1 PHE 8 -8.180 -20.161 14.996 56 HE2 PHE 8 HE2 PHE 8 -11.403 -19.963 12.162 57 HZ PHE 8 HZ PHE 8 -10.354 -21.007 14.152 58 H SER 9 HN SER 9 -7.158 -16.639 8.165 59 HA SER 9 HA SER 9 -4.761 -14.927 8.230 60 1HB SER 9 2HB SER 9 -6.860 -15.474 6.105 61 2HB SER 9 1HB SER 9 -5.309 -14.681 5.832 62 HG SER 9 HG SER 9 -4.507 -16.750 6.923 63 H PHE 10 HN PHE 10 -4.807 -12.698 8.414 64 HA PHE 10 HA PHE 10 -7.507 -11.403 8.612 65 1HB PHE 10 2HB PHE 10 -4.836 -10.851 9.940 66 2HB PHE 10 1HB PHE 10 -6.228 -9.781 10.085 67 HD1 PHE 10 HD1 PHE 10 -8.516 -11.131 10.648 68 HD2 PHE 10 HD2 PHE 10 -4.536 -12.399 11.653 69 HE1 PHE 10 HE1 PHE 10 -9.426 -12.554 12.463 70 HE2 PHE 10 HE2 PHE 10 -5.448 -13.823 13.467 71 HZ PHE 10 HZ PHE 10 -7.894 -13.901 13.871 72 H SER 11 HN SER 11 -7.925 -9.928 7.017 73 HA SER 11 HA SER 11 -5.935 -9.209 5.028 74 1HB SER 11 2HB SER 11 -8.379 -9.493 4.634 75 2HB SER 11 1HB SER 11 -8.687 -8.078 5.641 76 HG SER 11 HG SER 11 -7.761 -8.246 3.061 77 H LEU 12 HN LEU 12 -5.567 -6.800 4.505 78 HA LEU 12 HA LEU 12 -4.852 -5.386 7.032 79 1HB LEU 12 2HB LEU 12 -4.009 -5.157 4.128 80 2HB LEU 12 1HB LEU 12 -3.448 -4.051 5.382 81 HG LEU 12 HG LEU 12 -1.782 -5.778 5.167 82 1HD1 LEU 12 1HD1 LEU 12 -3.059 -5.200 7.533 83 2HD1 LEU 12 3HD1 LEU 12 -3.126 -6.962 7.505 84 3HD1 LEU 12 2HD1 LEU 12 -1.571 -6.137 7.401 85 1HD2 LEU 12 2HD2 LEU 12 -3.687 -7.358 4.174 86 2HD2 LEU 12 1HD2 LEU 12 -2.228 -8.033 4.900 87 3HD2 LEU 12 3HD2 LEU 12 -3.723 -7.953 5.833 88 H GLU 13 HN GLU 13 -7.329 -5.382 4.756 89 HA GLU 13 HA GLU 13 -7.736 -2.547 4.365 90 1HB GLU 13 2HB GLU 13 -9.634 -4.917 4.294 91 2HB GLU 13 1HB GLU 13 -9.968 -3.328 3.607 92 1HG GLU 13 2HG GLU 13 -8.016 -3.567 2.110 93 2HG GLU 13 1HG GLU 13 -7.696 -5.163 2.789 94 H SER 14 HN SER 14 -9.929 -4.718 6.160 95 HA SER 14 HA SER 14 -11.342 -2.909 7.669 96 1HB SER 14 2HB SER 14 -10.134 -5.425 8.833 97 2HB SER 14 1HB SER 14 -11.714 -4.725 9.183 98 HG SER 14 HG SER 14 -12.010 -5.041 6.776 99 H VAL 15 HN VAL 15 -8.189 -4.298 8.686 100 HA VAL 15 HA VAL 15 -7.954 -2.741 11.074 101 HB VAL 15 HB VAL 15 -5.544 -3.408 10.845 102 1HG1 VAL 15 2HG1 VAL 15 -7.759 -4.944 11.346 103 2HG1 VAL 15 1HG1 VAL 15 -6.977 -5.865 10.059 104 3HG1 VAL 15 3HG1 VAL 15 -6.096 -5.501 11.544 105 1HG2 VAL 15 2HG2 VAL 15 -6.545 -4.293 8.129 106 2HG2 VAL 15 1HG2 VAL 15 -5.170 -3.252 8.492 107 3HG2 VAL 15 3HG2 VAL 15 -5.095 -4.973 8.867 108 H LYS 16 HN LYS 16 -6.606 -2.210 7.789 109 HA LYS 16 HA LYS 16 -5.280 0.244 8.300 110 1HB LYS 16 2HB LYS 16 -5.110 -1.106 6.237 111 2HB LYS 16 1HB LYS 16 -6.788 -0.725 5.848 112 1HG LYS 16 2HG LYS 16 -6.203 1.687 5.777 113 2HG LYS 16 1HG LYS 16 -4.520 1.274 6.104 114 1HD LYS 16 2HD LYS 16 -4.777 1.551 3.708 115 2HD LYS 16 1HD LYS 16 -4.547 -0.166 4.041 116 1HE LYS 16 2HE LYS 16 -6.491 -0.560 2.937 117 2HE LYS 16 1HE LYS 16 -7.340 0.311 4.228 118 1HZ LYS 16 1HZ LYS 16 -5.950 1.649 1.965 119 2HZ LYS 16 3HZ LYS 16 -7.611 1.305 1.963 120 3HZ LYS 16 2HZ LYS 16 -6.968 2.371 3.118 121 H LYS 17 HN LYS 17 -8.589 -0.246 6.990 122 HA LYS 17 HA LYS 17 -9.303 2.565 7.425 123 1HB LYS 17 2HB LYS 17 -10.859 0.070 6.654 124 2HB LYS 17 1HB LYS 17 -11.514 1.706 6.604 125 1HG LYS 17 2HG LYS 17 -9.705 2.351 5.018 126 2HG LYS 17 1HG LYS 17 -9.137 0.680 5.024 127 1HD LYS 17 2HD LYS 17 -11.413 -0.034 4.249 128 2HD LYS 17 1HD LYS 17 -11.854 1.668 4.107 129 1HE LYS 17 2HE LYS 17 -10.340 2.033 2.326 130 2HE LYS 17 1HE LYS 17 -9.400 0.579 2.712 131 1HZ LYS 17 2HZ LYS 17 -11.961 -0.324 2.398 132 2HZ LYS 17 1HZ LYS 17 -11.804 0.832 1.163 133 3HZ LYS 17 3HZ LYS 17 -10.717 -0.465 1.251 134 H LEU 18 HN LEU 18 -8.767 0.190 9.575 135 HA LEU 18 HA LEU 18 -11.051 -0.142 11.180 136 1HB LEU 18 2HB LEU 18 -8.809 -1.250 11.345 137 2HB LEU 18 1HB LEU 18 -8.158 0.243 12.025 138 HG LEU 18 HG LEU 18 -9.519 0.060 13.976 139 1HD1 LEU 18 3HD1 LEU 18 -10.974 -2.138 12.476 140 2HD1 LEU 18 2HD1 LEU 18 -11.250 -1.744 14.173 141 3HD1 LEU 18 1HD1 LEU 18 -11.624 -0.560 12.919 142 1HD2 LEU 18 3HD2 LEU 18 -7.565 -1.598 13.684 143 2HD2 LEU 18 2HD2 LEU 18 -8.752 -1.980 14.932 144 3HD2 LEU 18 1HD2 LEU 18 -8.804 -2.818 13.382 145 H LYS 19 HN LYS 19 -8.774 2.588 11.016 146 HA LYS 19 HA LYS 19 -9.576 4.030 13.317 147 1HB LYS 19 2HB LYS 19 -7.676 4.528 11.761 148 2HB LYS 19 1HB LYS 19 -8.843 5.080 10.561 149 1HG LYS 19 2HG LYS 19 -9.665 6.778 12.190 150 2HG LYS 19 1HG LYS 19 -8.419 6.259 13.324 151 1HD LYS 19 2HD LYS 19 -6.690 6.810 11.602 152 2HD LYS 19 1HD LYS 19 -7.971 7.443 10.568 153 1HE LYS 19 2HE LYS 19 -8.502 8.768 12.906 154 2HE LYS 19 1HE LYS 19 -6.733 8.648 12.972 155 1HZ LYS 19 1HZ LYS 19 -6.959 9.247 10.453 156 2HZ LYS 19 3HZ LYS 19 -8.444 9.908 10.935 157 3HZ LYS 19 2HZ LYS 19 -7.000 10.477 11.623 158 H ASP 20 HN ASP 20 -10.985 3.969 10.043 159 HA ASP 20 HA ASP 20 -13.278 5.624 11.014 160 1HB ASP 20 2HB ASP 20 -12.018 6.330 8.994 161 2HB ASP 20 1HB ASP 20 -12.389 4.783 8.232 162 H LEU 21 HN LEU 21 -14.767 4.211 11.927 163 HA LEU 21 HA LEU 21 -15.193 1.505 11.466 164 1HB LEU 21 2HB LEU 21 -16.290 3.274 13.053 165 2HB LEU 21 1HB LEU 21 -17.492 3.428 11.773 166 HG LEU 21 HG LEU 21 -18.031 1.072 11.908 167 1HD1 LEU 21 1HD1 LEU 21 -15.426 0.976 13.218 168 2HD1 LEU 21 3HD1 LEU 21 -16.651 0.096 14.131 169 3HD1 LEU 21 2HD1 LEU 21 -16.336 -0.323 12.446 170 1HD2 LEU 21 1HD2 LEU 21 -17.789 2.335 14.655 171 2HD2 LEU 21 3HD2 LEU 21 -19.159 2.474 13.554 172 3HD2 LEU 21 2HD2 LEU 21 -18.776 0.919 14.292 173 H GLN 22 HN GLN 22 -16.580 4.218 9.598 174 HA GLN 22 HA GLN 22 -18.210 2.618 7.864 175 1HB GLN 22 2HB GLN 22 -16.877 5.324 7.538 176 2HB GLN 22 1HB GLN 22 -18.142 4.707 6.475 177 1HG GLN 22 2HG GLN 22 -19.675 4.521 8.398 178 2HG GLN 22 1HG GLN 22 -18.410 5.120 9.469 179 1HE2 GLN 22 1HE2 GLN 22 -20.865 6.541 9.220 180 2HE2 GLN 22 2HE2 GLN 22 -20.566 8.011 8.426 181 H GLU 23 HN GLU 23 -17.307 0.986 6.646 182 HA GLU 23 HA GLU 23 -14.849 1.648 5.057 183 1HB GLU 23 2HB GLU 23 -15.668 -1.019 6.252 184 2HB GLU 23 1HB GLU 23 -14.143 -0.655 5.445 185 1HG GLU 23 2HG GLU 23 -13.308 0.502 7.248 186 2HG GLU 23 1HG GLU 23 -14.896 1.090 7.738 187 HA PRO 24 HA PRO 24 -17.636 0.790 1.680 188 1HB PRO 24 2HB PRO 24 -15.358 0.499 -0.051 189 2HB PRO 24 1HB PRO 24 -16.449 1.879 0.088 190 1HG PRO 24 2HG PRO 24 -13.724 1.696 0.968 191 2HG PRO 24 1HG PRO 24 -14.824 3.068 1.128 192 1HD PRO 24 2HD PRO 24 -13.880 1.287 3.206 193 2HD PRO 24 1HD PRO 24 -14.957 2.694 3.374 194 H GLN 25 HN GLN 25 -18.141 -1.080 0.355 195 HA GLN 25 HA GLN 25 -17.526 -3.626 1.458 196 1HB GLN 25 2HB GLN 25 -18.493 -2.760 -1.286 197 2HB GLN 25 1HB GLN 25 -18.562 -4.420 -0.693 198 1HG GLN 25 2HG GLN 25 -19.960 -3.673 1.208 199 2HG GLN 25 1HG GLN 25 -19.906 -2.022 0.592 200 1HE2 GLN 25 1HE2 GLN 25 -22.411 -3.314 0.846 201 2HE2 GLN 25 2HE2 GLN 25 -23.027 -3.649 -0.699 202 H GLU 26 HN GLU 26 -15.914 -5.118 0.996 203 HA GLU 26 HA GLU 26 -13.916 -4.369 -1.117 204 1HB GLU 26 2HB GLU 26 -13.714 -5.136 1.751 205 2HB GLU 26 1HB GLU 26 -12.493 -5.820 0.678 206 1HG GLU 26 2HG GLU 26 -13.177 -2.870 0.854 207 2HG GLU 26 1HG GLU 26 -11.794 -3.628 1.644 208 HA PRO 27 HA PRO 27 -15.818 -8.479 -2.131 209 1HB PRO 27 2HB PRO 27 -15.202 -7.823 -4.862 210 2HB PRO 27 1HB PRO 27 -16.790 -7.929 -4.100 211 1HG PRO 27 2HG PRO 27 -15.392 -5.566 -4.945 212 2HG PRO 27 1HG PRO 27 -16.982 -5.673 -4.186 213 1HD PRO 27 2HD PRO 27 -14.523 -4.708 -3.020 214 2HD PRO 27 1HD PRO 27 -16.127 -4.816 -2.255 215 H ARG 28 HN ARG 28 -13.429 -7.507 -4.561 216 HA ARG 28 HA ARG 28 -11.461 -9.429 -3.389 217 1HB ARG 28 2HB ARG 28 -12.554 -9.339 -6.217 218 2HB ARG 28 1HB ARG 28 -11.184 -10.332 -5.721 219 1HG ARG 28 2HG ARG 28 -12.650 -11.438 -4.029 220 2HG ARG 28 1HG ARG 28 -14.014 -10.501 -4.641 221 1HD ARG 28 2HD ARG 28 -13.585 -11.499 -6.922 222 2HD ARG 28 1HD ARG 28 -12.375 -12.555 -6.168 223 HE ARG 28 HE ARG 28 -14.818 -12.661 -4.659 224 1HH1 ARG 28 1HH1 ARG 28 -12.970 -14.066 -7.157 225 2HH1 ARG 28 2HH1 ARG 28 -14.148 -15.272 -7.557 226 1HH2 ARG 28 1HH2 ARG 28 -16.544 -14.033 -5.377 227 2HH2 ARG 28 2HH2 ARG 28 -16.171 -15.253 -6.549 228 H VAL 29 HN VAL 29 -9.280 -8.935 -3.917 229 HA VAL 29 HA VAL 29 -7.506 -7.421 -4.330 230 HB VAL 29 HB VAL 29 -9.181 -6.992 -6.822 231 1HG1 VAL 29 3HG1 VAL 29 -6.262 -6.711 -6.126 232 2HG1 VAL 29 2HG1 VAL 29 -6.767 -7.001 -7.791 233 3HG1 VAL 29 1HG1 VAL 29 -7.316 -5.557 -6.941 234 1HG2 VAL 29 2HG2 VAL 29 -7.316 -9.255 -6.053 235 2HG2 VAL 29 1HG2 VAL 29 -9.044 -9.377 -6.383 236 3HG2 VAL 29 3HG2 VAL 29 -7.923 -8.985 -7.687 237 H GLY 30 HN GLY 30 -7.696 -5.696 -2.870 238 1HA GLY 30 1HA GLY 30 -8.561 -3.646 -2.000 239 2HA GLY 30 2HA GLY 30 -9.670 -3.564 -3.370 240 H LYS 31 HN LYS 31 -8.522 -1.229 -2.938 241 HA LYS 31 HA LYS 31 -6.747 -0.866 -5.249 242 1HB LYS 31 2HB LYS 31 -7.927 1.009 -3.174 243 2HB LYS 31 1HB LYS 31 -7.065 1.536 -4.620 244 1HG LYS 31 2HG LYS 31 -8.734 0.290 -6.009 245 2HG LYS 31 1HG LYS 31 -9.628 -0.086 -4.536 246 1HD LYS 31 2HD LYS 31 -9.811 2.376 -4.088 247 2HD LYS 31 1HD LYS 31 -9.056 2.676 -5.653 248 1HE LYS 31 2HE LYS 31 -10.933 2.008 -6.834 249 2HE LYS 31 1HE LYS 31 -11.426 0.844 -5.590 250 1HZ LYS 31 1HZ LYS 31 -11.309 3.665 -4.829 251 2HZ LYS 31 3HZ LYS 31 -12.587 3.206 -5.845 252 3HZ LYS 31 2HZ LYS 31 -12.394 2.455 -4.333 253 H LEU 32 HN LEU 32 -6.089 1.308 -2.695 254 HA LEU 32 HA LEU 32 -3.400 0.048 -2.310 255 1HB LEU 32 2HB LEU 32 -4.377 2.897 -1.922 256 2HB LEU 32 1HB LEU 32 -2.702 2.356 -1.807 257 HG LEU 32 HG LEU 32 -4.462 2.252 -4.276 258 1HD1 LEU 32 2HD1 LEU 32 -2.541 4.170 -3.194 259 2HD1 LEU 32 1HD1 LEU 32 -2.100 3.627 -4.813 260 3HD1 LEU 32 3HD1 LEU 32 -3.680 4.359 -4.527 261 1HD2 LEU 32 3HD2 LEU 32 -1.637 1.274 -3.770 262 2HD2 LEU 32 2HD2 LEU 32 -3.029 0.299 -4.243 263 3HD2 LEU 32 1HD2 LEU 32 -2.339 1.461 -5.377 264 H ARG 33 HN ARG 33 -2.673 -0.340 -0.192 265 HA ARG 33 HA ARG 33 -4.630 0.257 2.003 266 1HB ARG 33 2HB ARG 33 -2.832 -2.143 1.532 267 2HB ARG 33 1HB ARG 33 -3.836 -1.915 2.963 268 1HG ARG 33 2HG ARG 33 -5.837 -1.752 1.452 269 2HG ARG 33 1HG ARG 33 -4.790 -2.168 0.096 270 1HD ARG 33 2HD ARG 33 -5.218 -3.892 2.566 271 2HD ARG 33 1HD ARG 33 -5.923 -4.191 0.966 272 HE ARG 33 HE ARG 33 -3.073 -3.822 0.742 273 1HH1 ARG 33 1HH1 ARG 33 -5.129 -5.966 2.424 274 2HH1 ARG 33 2HH1 ARG 33 -4.335 -7.401 1.867 275 1HH2 ARG 33 1HH2 ARG 33 -2.189 -5.706 -0.264 276 2HH2 ARG 33 2HH2 ARG 33 -2.671 -7.253 0.346 277 H ASN 34 HN ASN 34 -2.997 2.267 1.874 278 HA ASN 34 HA ASN 34 -0.788 1.690 3.820 279 1HB ASN 34 2HB ASN 34 0.664 3.090 2.534 280 2HB ASN 34 1HB ASN 34 -0.140 2.046 1.361 281 1HD2 ASN 34 1HD2 ASN 34 -1.195 3.107 -0.335 282 2HD2 ASN 34 2HD2 ASN 34 -1.605 4.754 -0.342 283 H PHE 35 HN PHE 35 -3.675 2.987 3.752 284 HA PHE 35 HA PHE 35 -3.026 5.692 4.790 285 1HB PHE 35 2HB PHE 35 -4.844 5.306 3.142 286 2HB PHE 35 1HB PHE 35 -5.650 4.245 4.297 287 HD1 PHE 35 HD1 PHE 35 -4.701 7.729 3.535 288 HD2 PHE 35 HD2 PHE 35 -6.758 5.134 6.272 289 HE1 PHE 35 HE1 PHE 35 -5.778 9.697 4.593 290 HE2 PHE 35 HE2 PHE 35 -7.835 7.102 7.329 291 HZ PHE 35 HZ PHE 35 -7.344 9.384 6.490 292 H ALA 36 HN ALA 36 -2.936 2.714 6.110 293 HA ALA 36 HA ALA 36 -4.627 2.877 8.424 294 1HB ALA 36 2HB ALA 36 -3.001 1.035 7.230 295 2HB ALA 36 3HB ALA 36 -3.658 0.850 8.856 296 3HB ALA 36 1HB ALA 36 -2.027 1.478 8.632 297 HA PRO 37 HA PRO 37 -2.512 6.014 10.735 298 1HB PRO 37 2HB PRO 37 -3.465 4.861 13.193 299 2HB PRO 37 1HB PRO 37 -4.093 6.271 12.338 300 1HG PRO 37 2HG PRO 37 -5.303 3.685 12.585 301 2HG PRO 37 1HG PRO 37 -5.915 5.085 11.702 302 1HD PRO 37 2HD PRO 37 -4.807 2.638 10.622 303 2HD PRO 37 1HD PRO 37 -5.471 4.028 9.732 304 H ILE 38 HN ILE 38 -1.734 5.293 13.508 305 HA ILE 38 HA ILE 38 0.530 3.419 12.899 306 HB ILE 38 HB ILE 38 1.726 4.873 14.628 307 1HG1 ILE 38 2HG1 ILE 38 -0.653 5.791 15.335 308 2HG1 ILE 38 1HG1 ILE 38 0.762 6.839 15.405 309 1HG2 ILE 38 1HG2 ILE 38 0.811 5.787 11.922 310 2HG2 ILE 38 3HG2 ILE 38 1.776 6.882 12.913 311 3HG2 ILE 38 2HG2 ILE 38 2.424 5.309 12.453 312 1HD1 ILE 38 1HD1 ILE 38 -0.604 6.778 12.784 313 2HD1 ILE 38 3HD1 ILE 38 -1.550 7.479 14.095 314 3HD1 ILE 38 2HD1 ILE 38 0.030 8.151 13.692 315 HA PRO 39 HA PRO 39 -0.604 0.910 16.310 316 1HB PRO 39 2HB PRO 39 2.006 0.894 17.517 317 2HB PRO 39 1HB PRO 39 1.278 -0.340 16.486 318 1HG PRO 39 2HG PRO 39 3.403 1.481 15.830 319 2HG PRO 39 1HG PRO 39 2.674 0.248 14.799 320 1HD PRO 39 2HD PRO 39 2.385 3.115 14.607 321 2HD PRO 39 1HD PRO 39 1.654 1.871 13.566 322 H GLY 40 HN GLY 40 -0.659 0.905 18.763 323 1HA GLY 40 1HA GLY 40 -0.050 3.566 19.957 324 2HA GLY 40 2HA GLY 40 -0.311 2.081 20.873 325 H GLU 41 HN GLU 41 -2.615 1.815 18.649 326 HA GLU 41 HA GLU 41 -4.603 3.421 20.226 327 1HB GLU 41 2HB GLU 41 -4.171 4.286 17.952 328 2HB GLU 41 1HB GLU 41 -4.545 2.702 17.276 329 1HG GLU 41 2HG GLU 41 -6.643 3.586 17.074 330 2HG GLU 41 1HG GLU 41 -6.773 3.123 18.771 331 HA PRO 42 HA PRO 42 -5.481 -1.155 20.556 332 1HB PRO 42 2HB PRO 42 -6.475 -0.530 23.183 333 2HB PRO 42 1HB PRO 42 -5.038 -1.462 22.755 334 1HG PRO 42 2HG PRO 42 -5.162 1.186 23.871 335 2HG PRO 42 1HG PRO 42 -3.726 0.246 23.460 336 1HD PRO 42 2HD PRO 42 -4.768 2.563 22.096 337 2HD PRO 42 1HD PRO 42 -3.336 1.598 21.665 338 H VAL 43 HN VAL 43 -7.541 -2.008 20.181 339 HA VAL 43 HA VAL 43 -9.855 -0.111 20.423 340 HB VAL 43 HB VAL 43 -10.679 -1.154 18.369 341 1HG1 VAL 43 2HG1 VAL 43 -8.489 0.498 18.548 342 2HG1 VAL 43 1HG1 VAL 43 -7.868 -0.818 17.552 343 3HG1 VAL 43 3HG1 VAL 43 -9.301 0.075 17.041 344 1HG2 VAL 43 1HG2 VAL 43 -8.673 -3.162 19.114 345 2HG2 VAL 43 3HG2 VAL 43 -10.113 -3.334 18.110 346 3HG2 VAL 43 2HG2 VAL 43 -8.616 -2.723 17.406 347 H VAL 44 HN VAL 44 -9.506 -1.523 22.670 348 HA VAL 44 HA VAL 44 -11.570 -3.677 22.489 349 HB VAL 44 HB VAL 44 -9.022 -3.899 24.110 350 1HG1 VAL 44 2HG1 VAL 44 -11.361 -5.349 24.178 351 2HG1 VAL 44 1HG1 VAL 44 -10.379 -6.291 23.055 352 3HG1 VAL 44 3HG1 VAL 44 -9.785 -5.961 24.683 353 1HG2 VAL 44 3HG2 VAL 44 -9.529 -4.402 21.215 354 2HG2 VAL 44 2HG2 VAL 44 -8.034 -3.942 22.031 355 3HG2 VAL 44 1HG2 VAL 44 -8.590 -5.615 22.086 356 HA PRO 45 HA PRO 45 -12.132 -0.460 25.910 357 1HB PRO 45 2HB PRO 45 -14.884 -0.365 25.057 358 2HB PRO 45 1HB PRO 45 -13.674 0.912 24.965 359 1HG PRO 45 2HG PRO 45 -14.774 -0.647 22.815 360 2HG PRO 45 1HG PRO 45 -13.578 0.648 22.718 361 1HD PRO 45 2HD PRO 45 -13.154 -2.179 22.345 362 2HD PRO 45 1HD PRO 45 -11.942 -0.878 22.276 363 H ILE 46 HN ILE 46 -15.312 -1.210 26.190 364 HA ILE 46 HA ILE 46 -14.933 -3.080 28.363 365 HB ILE 46 HB ILE 46 -17.417 -2.427 26.733 366 1HG1 ILE 46 2HG1 ILE 46 -16.483 -0.335 27.435 367 2HG1 ILE 46 1HG1 ILE 46 -17.764 -0.710 28.586 368 1HG2 ILE 46 2HG2 ILE 46 -16.941 -4.141 28.965 369 2HG2 ILE 46 1HG2 ILE 46 -17.861 -2.753 29.544 370 3HG2 ILE 46 3HG2 ILE 46 -18.488 -3.734 28.219 371 1HD1 ILE 46 1HD1 ILE 46 -15.764 -1.913 29.872 372 2HD1 ILE 46 3HD1 ILE 46 -14.797 -0.750 28.967 373 3HD1 ILE 46 2HD1 ILE 46 -16.058 -0.185 30.062 374 H LEU 47 HN LEU 47 -15.707 -3.280 24.968 375 HA LEU 47 HA LEU 47 -15.275 -6.232 25.019 376 1HB LEU 47 2HB LEU 47 -17.446 -4.703 23.532 377 2HB LEU 47 1HB LEU 47 -17.201 -6.449 23.487 378 HG LEU 47 HG LEU 47 -17.926 -4.796 25.926 379 1HD1 LEU 47 1HD1 LEU 47 -19.533 -5.842 23.894 380 2HD1 LEU 47 3HD1 LEU 47 -19.653 -7.028 25.194 381 3HD1 LEU 47 2HD1 LEU 47 -20.074 -5.342 25.496 382 1HD2 LEU 47 2HD2 LEU 47 -16.601 -7.335 25.694 383 2HD2 LEU 47 1HD2 LEU 47 -17.098 -6.487 27.159 384 3HD2 LEU 47 3HD2 LEU 47 -18.214 -7.593 26.358 385 H CYS 48 HN CYS 48 -16.306 -4.308 22.246 386 HA CYS 48 HA CYS 48 -13.495 -4.339 21.213 387 1HB CYS 48 2HB CYS 48 -16.128 -4.948 19.822 388 2HB CYS 48 1HB CYS 48 -14.572 -4.837 19.000 389 H SER 49 HN SER 49 -12.876 -2.382 20.247 390 HA SER 49 HA SER 49 -14.334 0.002 20.811 391 1HB SER 49 2HB SER 49 -11.838 -0.426 20.323 392 2HB SER 49 1HB SER 49 -12.285 -0.332 18.621 393 HG SER 49 HG SER 49 -11.746 1.660 20.173 394 H ASN 50 HN ASN 50 -13.504 -0.989 17.500 395 HA ASN 50 HA ASN 50 -15.822 0.421 16.420 396 1HB ASN 50 2HB ASN 50 -13.427 -1.066 15.452 397 2HB ASN 50 1HB ASN 50 -14.772 -0.888 14.325 398 1HD2 ASN 50 1HD2 ASN 50 -12.022 0.484 14.425 399 2HD2 ASN 50 2HD2 ASN 50 -12.383 2.140 14.365 400 HA PRO 51 HA PRO 51 -18.414 -3.235 16.972 401 1HB PRO 51 2HB PRO 51 -20.515 -1.736 15.702 402 2HB PRO 51 1HB PRO 51 -20.334 -2.114 17.418 403 1HG PRO 51 2HG PRO 51 -20.019 0.430 16.146 404 2HG PRO 51 1HG PRO 51 -19.778 0.041 17.850 405 1HD PRO 51 2HD PRO 51 -17.767 0.636 15.841 406 2HD PRO 51 1HD PRO 51 -17.536 0.341 17.579 407 H ASN 52 HN ASN 52 -17.290 -1.647 14.192 408 HA ASN 52 HA ASN 52 -18.361 -3.833 12.442 409 1HB ASN 52 2HB ASN 52 -17.986 -0.877 11.871 410 2HB ASN 52 1HB ASN 52 -18.442 -2.069 10.656 411 1HD2 ASN 52 1HD2 ASN 52 -20.146 -3.614 12.542 412 2HD2 ASN 52 2HD2 ASN 52 -21.537 -2.678 12.799 413 H PHE 53 HN PHE 53 -15.798 -3.616 13.906 414 HA PHE 53 HA PHE 53 -13.730 -2.935 11.938 415 1HB PHE 53 2HB PHE 53 -12.288 -3.298 13.745 416 2HB PHE 53 1HB PHE 53 -13.787 -2.924 14.596 417 HD1 PHE 53 HD1 PHE 53 -15.409 -5.212 14.621 418 HD2 PHE 53 HD2 PHE 53 -11.116 -5.063 14.723 419 HE1 PHE 53 HE1 PHE 53 -15.357 -7.438 15.708 420 HE2 PHE 53 HE2 PHE 53 -11.065 -7.298 15.814 421 HZ PHE 53 HZ PHE 53 -13.188 -8.480 16.303 422 HA PRO 54 HA PRO 54 -12.983 -6.859 10.083 423 1HB PRO 54 2HB PRO 54 -10.568 -7.640 11.451 424 2HB PRO 54 1HB PRO 54 -10.726 -6.948 9.836 425 1HG PRO 54 2HG PRO 54 -9.714 -5.679 12.208 426 2HG PRO 54 1HG PRO 54 -9.870 -4.988 10.593 427 1HD PRO 54 2HD PRO 54 -11.430 -4.386 12.934 428 2HD PRO 54 1HD PRO 54 -11.609 -3.695 11.305 429 H GLU 55 HN GLU 55 -14.881 -7.453 11.542 430 HA GLU 55 HA GLU 55 -14.946 -8.628 14.002 431 1HB GLU 55 2HB GLU 55 -16.821 -8.365 12.402 432 2HB GLU 55 1HB GLU 55 -16.205 -9.738 11.477 433 1HG GLU 55 2HG GLU 55 -16.442 -11.171 13.501 434 2HG GLU 55 1HG GLU 55 -17.136 -9.799 14.365 435 H GLU 56 HN GLU 56 -13.515 -10.099 11.103 436 HA GLU 56 HA GLU 56 -13.191 -12.762 11.981 437 1HB GLU 56 2HB GLU 56 -12.564 -11.668 9.760 438 2HB GLU 56 1HB GLU 56 -11.106 -11.076 10.558 439 1HG GLU 56 2HG GLU 56 -10.472 -13.401 11.116 440 2HG GLU 56 1HG GLU 56 -11.924 -13.987 10.306 441 H LEU 57 HN LEU 57 -11.696 -9.815 13.057 442 HA LEU 57 HA LEU 57 -9.540 -11.134 14.576 443 1HB LEU 57 2HB LEU 57 -10.586 -8.293 14.349 444 2HB LEU 57 1HB LEU 57 -9.169 -8.739 15.299 445 HG LEU 57 HG LEU 57 -9.457 -9.364 12.348 446 1HD1 LEU 57 2HD1 LEU 57 -9.112 -6.834 13.518 447 2HD1 LEU 57 1HD1 LEU 57 -7.494 -7.337 13.026 448 3HD1 LEU 57 3HD1 LEU 57 -8.795 -7.270 11.838 449 1HD2 LEU 57 1HD2 LEU 57 -7.869 -10.711 13.797 450 2HD2 LEU 57 3HD2 LEU 57 -7.106 -9.852 12.458 451 3HD2 LEU 57 2HD2 LEU 57 -6.992 -9.209 14.096 452 H LYS 58 HN LYS 58 -12.808 -10.873 15.002 453 HA LYS 58 HA LYS 58 -13.451 -9.904 17.487 454 1HB LYS 58 2HB LYS 58 -15.122 -10.958 16.193 455 2HB LYS 58 1HB LYS 58 -14.188 -12.444 16.037 456 1HG LYS 58 2HG LYS 58 -14.597 -11.918 18.827 457 2HG LYS 58 1HG LYS 58 -16.152 -11.805 18.004 458 1HD LYS 58 2HD LYS 58 -14.229 -14.111 17.603 459 2HD LYS 58 1HD LYS 58 -15.531 -14.135 18.794 460 1HE LYS 58 2HE LYS 58 -17.124 -13.578 16.863 461 2HE LYS 58 1HE LYS 58 -15.774 -13.958 15.777 462 1HZ LYS 58 1HZ LYS 58 -15.554 -16.041 17.267 463 2HZ LYS 58 3HZ LYS 58 -17.160 -15.714 17.706 464 3HZ LYS 58 2HZ LYS 58 -16.769 -16.016 16.080 465 HA PRO 59 HA PRO 59 -11.766 -14.034 19.533 466 1HB PRO 59 2HB PRO 59 -9.474 -14.715 17.928 467 2HB PRO 59 1HB PRO 59 -10.906 -15.694 18.256 468 1HG PRO 59 2HG PRO 59 -10.193 -14.294 15.817 469 2HG PRO 59 1HG PRO 59 -11.539 -15.402 16.096 470 1HD PRO 59 2HD PRO 59 -11.712 -12.601 15.709 471 2HD PRO 59 1HD PRO 59 -13.021 -13.672 16.252 472 H LEU 60 HN LEU 60 -9.556 -11.866 17.707 473 HA LEU 60 HA LEU 60 -7.531 -11.755 19.748 474 1HB LEU 60 2HB LEU 60 -8.348 -9.834 17.543 475 2HB LEU 60 1HB LEU 60 -6.824 -9.755 18.427 476 HG LEU 60 HG LEU 60 -7.769 -11.841 16.470 477 1HD1 LEU 60 3HD1 LEU 60 -6.087 -9.709 16.232 478 2HD1 LEU 60 2HD1 LEU 60 -4.946 -10.977 16.680 479 3HD1 LEU 60 1HD1 LEU 60 -5.959 -11.169 15.251 480 1HD2 LEU 60 2HD2 LEU 60 -5.957 -12.199 18.833 481 2HD2 LEU 60 1HD2 LEU 60 -7.114 -13.330 18.133 482 3HD2 LEU 60 3HD2 LEU 60 -5.571 -13.038 17.332 483 H CYS 61 HN CYS 61 -10.541 -9.983 19.219 484 HA CYS 61 HA CYS 61 -10.018 -7.833 21.070 485 1HB CYS 61 2HB CYS 61 -11.714 -7.837 19.253 486 2HB CYS 61 1HB CYS 61 -12.613 -9.087 20.113 487 H LYS 62 HN LYS 62 -11.133 -11.144 21.428 488 HA LYS 62 HA LYS 62 -11.944 -10.670 24.255 489 1HB LYS 62 2HB LYS 62 -12.015 -13.100 22.427 490 2HB LYS 62 1HB LYS 62 -12.714 -13.033 24.044 491 1HG LYS 62 2HG LYS 62 -14.170 -11.153 23.303 492 2HG LYS 62 1HG LYS 62 -13.511 -11.313 21.676 493 1HD LYS 62 2HD LYS 62 -14.307 -13.676 21.625 494 2HD LYS 62 1HD LYS 62 -15.040 -13.437 23.211 495 1HE LYS 62 2HE LYS 62 -15.784 -11.352 21.270 496 2HE LYS 62 1HE LYS 62 -16.330 -12.978 20.813 497 1HZ LYS 62 1HZ LYS 62 -17.061 -13.232 23.183 498 2HZ LYS 62 3HZ LYS 62 -16.770 -11.574 23.396 499 3HZ LYS 62 2HZ LYS 62 -17.951 -12.092 22.291 500 H GLU 63 HN GLU 63 -9.109 -10.682 23.018 501 HA GLU 63 HA GLU 63 -7.914 -12.834 24.723 502 1HB GLU 63 2HB GLU 63 -7.532 -11.810 22.020 503 2HB GLU 63 1HB GLU 63 -6.022 -11.813 22.926 504 1HG GLU 63 2HG GLU 63 -6.900 -13.966 21.594 505 2HG GLU 63 1HG GLU 63 -5.955 -14.096 23.081 506 HA PRO 64 HA PRO 64 -6.233 -9.631 27.273 507 1HB PRO 64 2HB PRO 64 -3.956 -11.279 27.897 508 2HB PRO 64 1HB PRO 64 -5.387 -10.985 28.889 509 1HG PRO 64 2HG PRO 64 -4.670 -13.396 27.515 510 2HG PRO 64 1HG PRO 64 -6.118 -13.091 28.477 511 1HD PRO 64 2HD PRO 64 -5.906 -13.343 25.598 512 2HD PRO 64 1HD PRO 64 -7.373 -13.090 26.573 513 H ASN 65 HN ASN 65 -4.420 -11.324 24.777 514 HA ASN 65 HA ASN 65 -2.235 -9.345 24.736 515 1HB ASN 65 2HB ASN 65 -2.985 -11.640 22.895 516 2HB ASN 65 1HB ASN 65 -1.439 -10.791 22.899 517 1HD2 ASN 65 1HD2 ASN 65 -1.656 -13.626 23.438 518 2HD2 ASN 65 2HD2 ASN 65 -1.195 -13.885 25.052 519 H ALA 66 HN ALA 66 -5.399 -9.407 23.541 520 HA ALA 66 HA ALA 66 -5.372 -8.499 20.922 521 1HB ALA 66 2HB ALA 66 -7.232 -8.768 22.777 522 2HB ALA 66 3HB ALA 66 -7.492 -7.654 21.435 523 3HB ALA 66 1HB ALA 66 -6.973 -7.039 23.005 524 H GLN 67 HN GLN 67 -4.543 -6.637 23.839 525 HA GLN 67 HA GLN 67 -4.315 -4.060 22.662 526 1HB GLN 67 2HB GLN 67 -2.824 -5.419 24.929 527 2HB GLN 67 1HB GLN 67 -2.797 -3.681 24.631 528 1HG GLN 67 2HG GLN 67 -5.249 -3.594 24.887 529 2HG GLN 67 1HG GLN 67 -5.285 -5.336 25.169 530 1HE2 GLN 67 1HE2 GLN 67 -6.256 -3.588 27.173 531 2HE2 GLN 67 2HE2 GLN 67 -5.191 -3.610 28.495 532 H GLU 68 HN GLU 68 -1.918 -6.701 22.934 533 HA GLU 68 HA GLU 68 0.180 -5.140 21.617 534 1HB GLU 68 2HB GLU 68 -0.132 -8.072 22.338 535 2HB GLU 68 1HB GLU 68 1.368 -7.334 21.778 536 1HG GLU 68 2HG GLU 68 1.314 -5.780 23.704 537 2HG GLU 68 1HG GLU 68 -0.174 -6.540 24.267 538 H ILE 69 HN ILE 69 -2.071 -7.747 20.707 539 HA ILE 69 HA ILE 69 -1.045 -8.245 18.083 540 HB ILE 69 HB ILE 69 -3.848 -8.444 19.235 541 1HG1 ILE 69 2HG1 ILE 69 -1.663 -10.534 18.987 542 2HG1 ILE 69 1HG1 ILE 69 -2.067 -9.685 20.479 543 1HG2 ILE 69 1HG2 ILE 69 -2.884 -8.845 16.580 544 2HG2 ILE 69 3HG2 ILE 69 -3.243 -10.431 17.265 545 3HG2 ILE 69 2HG2 ILE 69 -4.494 -9.188 17.215 546 1HD1 ILE 69 2HD1 ILE 69 -4.442 -10.792 19.210 547 2HD1 ILE 69 1HD1 ILE 69 -3.246 -12.046 19.541 548 3HD1 ILE 69 3HD1 ILE 69 -3.843 -11.028 20.852 549 H LEU 70 HN LEU 70 -3.695 -6.106 19.185 550 HA LEU 70 HA LEU 70 -4.523 -5.074 16.707 551 1HB LEU 70 2HB LEU 70 -5.689 -4.611 18.765 552 2HB LEU 70 1HB LEU 70 -4.265 -3.844 19.464 553 HG LEU 70 HG LEU 70 -6.134 -2.310 18.511 554 1HD1 LEU 70 1HD1 LEU 70 -3.498 -1.932 18.961 555 2HD1 LEU 70 3HD1 LEU 70 -3.546 -1.608 17.228 556 3HD1 LEU 70 2HD1 LEU 70 -4.548 -0.664 18.330 557 1HD2 LEU 70 3HD2 LEU 70 -4.748 -3.214 15.967 558 2HD2 LEU 70 2HD2 LEU 70 -6.438 -3.492 16.385 559 3HD2 LEU 70 1HD2 LEU 70 -5.864 -1.853 16.080 560 H GLN 71 HN GLN 71 -2.031 -3.671 18.887 561 HA GLN 71 HA GLN 71 -1.190 -1.507 17.344 562 1HB GLN 71 2HB GLN 71 0.404 -3.505 18.978 563 2HB GLN 71 1HB GLN 71 1.015 -1.929 18.474 564 1HG GLN 71 2HG GLN 71 -0.846 -0.832 19.681 565 2HG GLN 71 1HG GLN 71 -1.435 -2.412 20.199 566 1HE2 GLN 71 1HE2 GLN 71 0.813 0.119 20.927 567 2HE2 GLN 71 2HE2 GLN 71 1.624 -0.671 22.192 568 H ARG 72 HN ARG 72 0.216 -4.803 17.202 569 HA ARG 72 HA ARG 72 2.011 -4.451 15.087 570 1HB ARG 72 2HB ARG 72 0.200 -6.788 15.775 571 2HB ARG 72 1HB ARG 72 1.612 -6.902 14.726 572 1HG ARG 72 2HG ARG 72 3.018 -6.034 16.605 573 2HG ARG 72 1HG ARG 72 1.594 -6.077 17.644 574 1HD ARG 72 2HD ARG 72 1.380 -8.539 17.140 575 2HD ARG 72 1HD ARG 72 2.927 -8.442 16.280 576 HE ARG 72 HE ARG 72 3.476 -7.237 18.705 577 1HH1 ARG 72 1HH1 ARG 72 1.148 -9.190 19.461 578 2HH1 ARG 72 2HH1 ARG 72 2.070 -10.509 20.100 579 1HH2 ARG 72 1HH2 ARG 72 5.080 -9.384 18.794 580 2HH2 ARG 72 2HH2 ARG 72 4.297 -10.619 19.723 581 H LEU 73 HN LEU 73 -1.413 -5.489 14.797 582 HA LEU 73 HA LEU 73 -1.596 -5.631 11.994 583 1HB LEU 73 2HB LEU 73 -3.618 -4.616 14.018 584 2HB LEU 73 1HB LEU 73 -4.003 -5.233 12.412 585 HG LEU 73 HG LEU 73 -2.726 -6.778 14.689 586 1HD1 LEU 73 2HD1 LEU 73 -5.437 -6.725 13.385 587 2HD1 LEU 73 1HD1 LEU 73 -4.850 -8.206 14.143 588 3HD1 LEU 73 3HD1 LEU 73 -5.033 -6.737 15.102 589 1HD2 LEU 73 1HD2 LEU 73 -3.190 -7.456 11.781 590 2HD2 LEU 73 3HD2 LEU 73 -1.694 -7.589 12.704 591 3HD2 LEU 73 2HD2 LEU 73 -3.024 -8.706 13.014 592 H GLU 74 HN GLU 74 -2.217 -2.788 14.084 593 HA GLU 74 HA GLU 74 -2.875 -0.910 12.091 594 1HB GLU 74 2HB GLU 74 -1.284 -0.557 14.652 595 2HB GLU 74 1HB GLU 74 -2.133 0.727 13.792 596 1HG GLU 74 2HG GLU 74 -4.248 -0.683 14.055 597 2HG GLU 74 1HG GLU 74 -3.328 -1.678 15.182 598 H GLU 75 HN GLU 75 0.382 -1.804 13.320 599 HA GLU 75 HA GLU 75 1.860 0.104 11.806 600 1HB GLU 75 2HB GLU 75 2.604 -1.289 13.758 601 2HB GLU 75 1HB GLU 75 2.644 -2.690 12.688 602 1HG GLU 75 2HG GLU 75 4.267 -1.489 11.228 603 2HG GLU 75 1HG GLU 75 4.270 -0.148 12.373 604 H ILE 76 HN ILE 76 1.343 -3.384 11.100 605 HA ILE 76 HA ILE 76 2.547 -3.334 8.508 606 HB ILE 76 HB ILE 76 0.342 -5.081 9.653 607 1HG1 ILE 76 2HG1 ILE 76 3.348 -5.479 9.657 608 2HG1 ILE 76 1HG1 ILE 76 2.421 -4.911 11.045 609 1HG2 ILE 76 2HG2 ILE 76 1.842 -5.092 7.128 610 2HG2 ILE 76 1HG2 ILE 76 1.931 -6.623 7.999 611 3HG2 ILE 76 3HG2 ILE 76 0.362 -5.948 7.557 612 1HD1 ILE 76 2HD1 ILE 76 1.363 -7.360 9.779 613 2HD1 ILE 76 1HD1 ILE 76 2.950 -7.546 10.527 614 3HD1 ILE 76 3HD1 ILE 76 1.583 -6.980 11.487 615 H ALA 77 HN ALA 77 -0.786 -2.782 9.586 616 HA ALA 77 HA ALA 77 -2.062 -2.677 7.038 617 1HB ALA 77 3HB ALA 77 -3.431 -2.752 8.954 618 2HB ALA 77 2HB ALA 77 -2.525 -1.472 9.761 619 3HB ALA 77 1HB ALA 77 -3.606 -1.079 8.424 620 H GLU 78 HN GLU 78 -0.174 -0.290 8.828 621 HA GLU 78 HA GLU 78 -0.843 2.042 7.327 622 1HB GLU 78 2HB GLU 78 0.384 1.894 9.506 623 2HB GLU 78 1HB GLU 78 1.785 1.272 8.634 624 1HG GLU 78 2HG GLU 78 1.797 3.348 7.250 625 2HG GLU 78 1HG GLU 78 0.467 3.974 8.223 626 H ASP 79 HN ASP 79 1.590 -0.506 6.743 627 HA ASP 79 HA ASP 79 1.686 0.197 3.902 628 1HB ASP 79 2HB ASP 79 3.751 1.056 5.889 629 2HB ASP 79 1HB ASP 79 4.302 0.559 4.290 630 HA PRO 80 HA PRO 80 2.804 -4.048 3.601 631 1HB PRO 80 2HB PRO 80 4.461 -3.583 1.297 632 2HB PRO 80 1HB PRO 80 2.801 -4.183 1.339 633 1HG PRO 80 2HG PRO 80 3.718 -1.611 0.459 634 2HG PRO 80 1HG PRO 80 2.059 -2.209 0.517 635 1HD PRO 80 2HD PRO 80 3.297 -0.231 2.225 636 2HD PRO 80 1HD PRO 80 1.618 -0.814 2.265 637 H GLY 81 HN GLY 81 4.204 -3.576 5.591 638 1HA GLY 81 1HA GLY 81 6.264 -3.850 6.709 639 2HA GLY 81 2HA GLY 81 6.991 -2.959 5.370 640 H THR 82 HN THR 82 7.561 -5.663 6.896 641 HA THR 82 HA THR 82 8.698 -7.025 4.580 642 HB THR 82 HB THR 82 9.480 -8.589 6.323 643 HG1 THR 82 1HG THR 82 7.413 -7.337 7.711 644 1HG2 THR 82 3HG2 THR 82 10.084 -5.896 6.144 645 2HG2 THR 82 2HG2 THR 82 9.761 -6.114 7.863 646 3HG2 THR 82 1HG2 THR 82 10.997 -7.089 7.067 647 H CYS 83 HN CYS 83 5.741 -7.157 6.351 648 HA CYS 83 HA CYS 83 4.916 -9.855 5.892 649 1HB CYS 83 2HB CYS 83 3.888 -7.979 7.335 650 2HB CYS 83 1HB CYS 83 3.119 -7.421 5.850 651 H GLU 84 HN GLU 84 4.417 -6.906 3.936 652 HA GLU 84 HA GLU 84 2.925 -8.065 1.824 653 1HB GLU 84 2HB GLU 84 3.335 -5.646 2.276 654 2HB GLU 84 1HB GLU 84 4.998 -5.852 1.728 655 1HG GLU 84 2HG GLU 84 3.694 -5.006 -0.133 656 2HG GLU 84 1HG GLU 84 4.091 -6.692 -0.467 657 H ILE 85 HN ILE 85 6.421 -8.119 2.451 658 HA ILE 85 HA ILE 85 6.858 -9.445 -0.188 659 HB ILE 85 HB ILE 85 9.187 -8.862 0.206 660 1HG1 ILE 85 2HG1 ILE 85 8.198 -8.184 2.985 661 2HG1 ILE 85 1HG1 ILE 85 9.421 -9.374 2.543 662 1HG2 ILE 85 2HG2 ILE 85 7.071 -7.000 0.078 663 2HG2 ILE 85 1HG2 ILE 85 8.210 -6.351 1.258 664 3HG2 ILE 85 3HG2 ILE 85 8.754 -6.730 -0.377 665 1HD1 ILE 85 3HD1 ILE 85 10.483 -7.139 1.414 666 2HD1 ILE 85 2HD1 ILE 85 9.648 -6.429 2.795 667 3HD1 ILE 85 1HD1 ILE 85 10.868 -7.676 3.050 668 H CYS 86 HN CYS 86 5.857 -10.518 2.655 669 HA CYS 86 HA CYS 86 6.018 -12.603 3.758 670 1HB CYS 86 2HB CYS 86 6.073 -13.122 1.186 671 2HB CYS 86 1HB CYS 86 7.775 -13.485 1.477 672 H ALA 87 HN ALA 87 8.375 -10.460 3.646 673 HA ALA 87 HA ALA 87 10.816 -11.879 4.146 674 1HB ALA 87 3HB ALA 87 11.085 -9.550 5.506 675 2HB ALA 87 1HB ALA 87 9.671 -9.162 4.527 676 3HB ALA 87 2HB ALA 87 11.178 -9.645 3.748 677 H TYR 88 HN TYR 88 8.001 -11.295 6.108 678 HA TYR 88 HA TYR 88 9.406 -12.561 8.437 679 1HB TYR 88 2HB TYR 88 8.026 -9.984 8.125 680 2HB TYR 88 1HB TYR 88 7.452 -10.919 9.506 681 HD1 TYR 88 HD1 TYR 88 10.546 -9.621 7.867 682 HD2 TYR 88 HD2 TYR 88 8.742 -11.082 11.482 683 HE1 TYR 88 HE1 TYR 88 12.582 -8.993 9.136 684 HE2 TYR 88 HE2 TYR 88 10.778 -10.453 12.750 685 HH TYR 88 HH TYR 88 13.399 -10.140 11.980 686 H ALA 89 HN ALA 89 7.791 -13.564 9.974 687 HA ALA 89 HA ALA 89 5.924 -15.261 8.563 688 1HB ALA 89 2HB ALA 89 6.913 -16.182 10.474 689 2HB ALA 89 3HB ALA 89 5.322 -15.728 11.086 690 3HB ALA 89 1HB ALA 89 6.718 -14.699 11.407 691 H ALA 90 HN ALA 90 5.626 -12.049 9.265 692 HA ALA 90 HA ALA 90 3.027 -11.828 10.458 693 1HB ALA 90 3HB ALA 90 4.956 -10.154 8.928 694 2HB ALA 90 1HB ALA 90 4.188 -9.840 10.484 695 3HB ALA 90 2HB ALA 90 3.290 -9.577 8.990 696 H CYS 91 HN CYS 91 4.103 -12.070 7.070 697 HA CYS 91 HA CYS 91 1.235 -12.127 6.217 698 1HB CYS 91 2HB CYS 91 3.771 -11.096 5.167 699 2HB CYS 91 1HB CYS 91 2.824 -11.969 3.963 700 H THR 92 HN THR 92 0.490 -14.210 5.993 701 HA THR 92 HA THR 92 2.406 -16.365 5.230 702 HB THR 92 HB THR 92 0.668 -17.828 6.107 703 HG1 THR 92 1HG THR 92 -0.843 -15.499 5.802 704 1HG2 THR 92 3HG2 THR 92 2.102 -16.673 7.751 705 2HG2 THR 92 2HG2 THR 92 0.947 -15.343 7.821 706 3HG2 THR 92 1HG2 THR 92 0.483 -16.944 8.397 707 H GLY 93 HN GLY 93 1.222 -18.112 3.779 708 1HA GLY 93 1HA GLY 93 -0.646 -16.989 1.811 709 2HA GLY 93 2HA GLY 93 -0.022 -18.638 1.824 710 H CYS 94 HN CYS 94 2.728 -17.099 2.215 711 HA CYS 94 HA CYS 94 3.465 -15.595 0.012 712 1HB CYS 94 2HB CYS 94 4.707 -16.896 2.066 713 2HB CYS 94 1HB CYS 94 5.283 -17.835 0.688 No H/Q in entry = 713 Start of MODEL 29 1 H1 VAL 1 1H VAL 1 -2.763 -11.717 -0.574 2 H2 VAL 1 3H VAL 1 -2.400 -10.097 -0.915 3 H3 VAL 1 2H VAL 1 -1.395 -11.334 -1.505 4 HA VAL 1 HA VAL 1 -0.650 -11.887 0.692 5 HB VAL 1 HB VAL 1 -0.089 -9.661 -0.797 6 1HG1 VAL 1 2HG1 VAL 1 -1.594 -8.267 0.601 7 2HG1 VAL 1 1HG1 VAL 1 -0.653 -8.705 2.028 8 3HG1 VAL 1 3HG1 VAL 1 0.086 -7.752 0.740 9 1HG2 VAL 1 2HG2 VAL 1 1.198 -11.298 1.049 10 2HG2 VAL 1 1HG2 VAL 1 1.962 -10.056 0.056 11 3HG2 VAL 1 3HG2 VAL 1 1.432 -9.673 1.695 12 H THR 2 HN THR 2 -1.418 -12.215 2.742 13 HA THR 2 HA THR 2 -3.337 -10.203 3.869 14 HB THR 2 HB THR 2 -3.431 -13.228 4.080 15 HG1 THR 2 1HG THR 2 -4.115 -12.791 2.088 16 1HG2 THR 2 3HG2 THR 2 -5.197 -11.008 5.118 17 2HG2 THR 2 2HG2 THR 2 -5.772 -12.667 4.949 18 3HG2 THR 2 1HG2 THR 2 -4.430 -12.304 6.034 19 H VAL 3 HN VAL 3 -3.186 -9.891 6.119 20 HA VAL 3 HA VAL 3 -0.605 -10.709 7.337 21 HB VAL 3 HB VAL 3 -2.197 -8.405 7.296 22 1HG1 VAL 3 3HG1 VAL 3 -2.246 -9.680 10.049 23 2HG1 VAL 3 2HG1 VAL 3 -2.689 -8.009 9.700 24 3HG1 VAL 3 1HG1 VAL 3 -3.650 -9.332 9.041 25 1HG2 VAL 3 1HG2 VAL 3 0.377 -9.091 7.897 26 2HG2 VAL 3 3HG2 VAL 3 -0.293 -7.476 8.127 27 3HG2 VAL 3 2HG2 VAL 3 -0.220 -8.602 9.482 28 H GLN 4 HN GLN 4 -0.579 -12.530 8.587 29 HA GLN 4 HA GLN 4 -3.139 -13.400 9.880 30 1HB GLN 4 2HB GLN 4 -2.170 -14.895 8.185 31 2HB GLN 4 1HB GLN 4 -0.636 -14.907 9.055 32 1HG GLN 4 2HG GLN 4 -1.830 -15.868 11.035 33 2HG GLN 4 1HG GLN 4 -3.294 -15.970 10.058 34 1HE2 GLN 4 1HE2 GLN 4 -3.566 -18.041 9.227 35 2HE2 GLN 4 2HE2 GLN 4 -2.311 -19.076 8.741 36 H ASP 5 HN ASP 5 -3.195 -13.092 12.060 37 HA ASP 5 HA ASP 5 -0.649 -12.753 13.566 38 1HB ASP 5 2HB ASP 5 -3.580 -12.252 14.166 39 2HB ASP 5 1HB ASP 5 -2.287 -11.966 15.331 40 H GLY 6 HN GLY 6 -2.364 -15.321 12.638 41 1HA GLY 6 1HA GLY 6 -3.093 -16.729 14.995 42 2HA GLY 6 2HA GLY 6 -1.400 -17.086 14.650 43 H ASN 7 HN ASN 7 -4.081 -18.639 14.375 44 HA ASN 7 HA ASN 7 -3.320 -20.034 11.910 45 1HB ASN 7 2HB ASN 7 -5.537 -20.371 13.953 46 2HB ASN 7 1HB ASN 7 -5.202 -21.517 12.657 47 1HD2 ASN 7 1HD2 ASN 7 -4.978 -22.318 15.384 48 2HD2 ASN 7 2HD2 ASN 7 -3.342 -22.600 15.738 49 H PHE 8 HN PHE 8 -4.992 -17.244 12.377 50 HA PHE 8 HA PHE 8 -6.905 -17.822 10.137 51 1HB PHE 8 2HB PHE 8 -7.113 -15.865 12.448 52 2HB PHE 8 1HB PHE 8 -8.349 -16.140 11.221 53 HD1 PHE 8 HD1 PHE 8 -6.619 -17.557 14.152 54 HD2 PHE 8 HD2 PHE 8 -9.675 -18.189 11.199 55 HE1 PHE 8 HE1 PHE 8 -7.507 -19.456 15.477 56 HE2 PHE 8 HE2 PHE 8 -10.562 -20.088 12.524 57 HZ PHE 8 HZ PHE 8 -9.479 -20.721 14.664 58 H SER 9 HN SER 9 -6.643 -16.543 8.337 59 HA SER 9 HA SER 9 -4.474 -14.572 8.262 60 1HB SER 9 2HB SER 9 -4.863 -14.659 5.918 61 2HB SER 9 1HB SER 9 -5.246 -16.285 6.482 62 HG SER 9 HG SER 9 -7.017 -14.180 5.839 63 H PHE 10 HN PHE 10 -4.752 -12.404 8.629 64 HA PHE 10 HA PHE 10 -7.550 -11.323 8.605 65 1HB PHE 10 2HB PHE 10 -5.063 -10.469 10.123 66 2HB PHE 10 1HB PHE 10 -6.654 -9.725 10.277 67 HD1 PHE 10 HD1 PHE 10 -8.066 -12.552 9.863 68 HD2 PHE 10 HD2 PHE 10 -5.052 -11.051 12.532 69 HE1 PHE 10 HE1 PHE 10 -8.705 -14.258 11.546 70 HE2 PHE 10 HE2 PHE 10 -5.691 -12.758 14.212 71 HZ PHE 10 HZ PHE 10 -7.516 -14.360 13.721 72 H SER 11 HN SER 11 -7.956 -9.816 7.034 73 HA SER 11 HA SER 11 -5.900 -8.904 5.211 74 1HB SER 11 2HB SER 11 -8.758 -8.004 5.717 75 2HB SER 11 1HB SER 11 -7.809 -7.607 4.283 76 HG SER 11 HG SER 11 -8.996 -9.389 3.776 77 H LEU 12 HN LEU 12 -5.530 -6.498 4.819 78 HA LEU 12 HA LEU 12 -5.054 -5.144 7.424 79 1HB LEU 12 2HB LEU 12 -4.133 -4.529 4.596 80 2HB LEU 12 1HB LEU 12 -3.523 -3.773 6.067 81 HG LEU 12 HG LEU 12 -3.303 -6.701 5.312 82 1HD1 LEU 12 2HD1 LEU 12 -1.695 -4.505 4.672 83 2HD1 LEU 12 1HD1 LEU 12 -0.877 -5.261 6.039 84 3HD1 LEU 12 3HD1 LEU 12 -1.223 -6.201 4.589 85 1HD2 LEU 12 1HD2 LEU 12 -3.100 -5.283 7.894 86 2HD2 LEU 12 3HD2 LEU 12 -3.374 -6.994 7.570 87 3HD2 LEU 12 2HD2 LEU 12 -1.737 -6.339 7.527 88 H GLU 13 HN GLU 13 -7.335 -5.100 4.909 89 HA GLU 13 HA GLU 13 -7.904 -2.305 4.649 90 1HB GLU 13 2HB GLU 13 -9.709 -4.740 4.478 91 2HB GLU 13 1HB GLU 13 -10.071 -3.152 3.803 92 1HG GLU 13 2HG GLU 13 -8.050 -3.312 2.378 93 2HG GLU 13 1HG GLU 13 -7.728 -4.918 3.031 94 H SER 14 HN SER 14 -9.920 -4.672 6.421 95 HA SER 14 HA SER 14 -11.510 -2.956 7.893 96 1HB SER 14 2HB SER 14 -10.207 -5.413 9.070 97 2HB SER 14 1HB SER 14 -11.845 -4.818 9.340 98 HG SER 14 HG SER 14 -12.371 -6.073 7.757 99 H VAL 15 HN VAL 15 -8.303 -4.172 8.993 100 HA VAL 15 HA VAL 15 -8.231 -2.756 11.444 101 HB VAL 15 HB VAL 15 -5.748 -3.065 11.168 102 1HG1 VAL 15 1HG1 VAL 15 -7.730 -4.907 11.582 103 2HG1 VAL 15 3HG1 VAL 15 -6.871 -5.628 10.219 104 3HG1 VAL 15 2HG1 VAL 15 -6.005 -5.262 11.712 105 1HG2 VAL 15 2HG2 VAL 15 -6.653 -3.915 8.409 106 2HG2 VAL 15 1HG2 VAL 15 -5.443 -2.701 8.823 107 3HG2 VAL 15 3HG2 VAL 15 -5.107 -4.410 9.097 108 H LYS 16 HN LYS 16 -6.955 -1.740 8.236 109 HA LYS 16 HA LYS 16 -5.911 0.770 8.957 110 1HB LYS 16 2HB LYS 16 -5.808 -0.305 6.711 111 2HB LYS 16 1HB LYS 16 -7.529 0.013 6.494 112 1HG LYS 16 2HG LYS 16 -7.136 2.421 6.635 113 2HG LYS 16 1HG LYS 16 -5.427 2.149 6.972 114 1HD LYS 16 2HD LYS 16 -5.596 2.663 4.631 115 2HD LYS 16 1HD LYS 16 -5.301 0.928 4.748 116 1HE LYS 16 2HE LYS 16 -7.115 1.298 3.147 117 2HE LYS 16 1HE LYS 16 -7.810 0.583 4.613 118 1HZ LYS 16 1HZ LYS 16 -7.509 3.500 4.486 119 2HZ LYS 16 3HZ LYS 16 -8.776 2.799 3.601 120 3HZ LYS 16 2HZ LYS 16 -8.688 2.571 5.282 121 H LYS 17 HN LYS 17 -9.260 0.004 7.960 122 HA LYS 17 HA LYS 17 -10.308 2.635 8.572 123 1HB LYS 17 2HB LYS 17 -11.577 -0.120 8.336 124 2HB LYS 17 1HB LYS 17 -12.487 1.389 8.399 125 1HG LYS 17 2HG LYS 17 -11.240 2.171 6.376 126 2HG LYS 17 1HG LYS 17 -10.465 0.588 6.285 127 1HD LYS 17 2HD LYS 17 -12.733 -0.460 6.141 128 2HD LYS 17 1HD LYS 17 -13.439 1.155 6.096 129 1HE LYS 17 2HE LYS 17 -13.217 0.393 3.800 130 2HE LYS 17 1HE LYS 17 -11.962 1.617 4.065 131 1HZ LYS 17 1HZ LYS 17 -11.333 -1.144 4.792 132 2HZ LYS 17 3HZ LYS 17 -11.397 -0.789 3.134 133 3HZ LYS 17 2HZ LYS 17 -10.325 0.060 4.142 134 H LEU 18 HN LEU 18 -10.659 -0.510 10.225 135 HA LEU 18 HA LEU 18 -11.753 -0.600 12.480 136 1HB LEU 18 2HB LEU 18 -9.237 -1.316 11.828 137 2HB LEU 18 1HB LEU 18 -8.878 -0.149 13.103 138 HG LEU 18 HG LEU 18 -10.602 -2.631 13.302 139 1HD1 LEU 18 1HD1 LEU 18 -7.864 -2.025 13.862 140 2HD1 LEU 18 3HD1 LEU 18 -8.688 -2.299 15.397 141 3HD1 LEU 18 2HD1 LEU 18 -8.723 -3.540 14.144 142 1HD2 LEU 18 2HD2 LEU 18 -11.624 -0.642 14.462 143 2HD2 LEU 18 1HD2 LEU 18 -11.171 -1.950 15.555 144 3HD2 LEU 18 3HD2 LEU 18 -10.152 -0.516 15.425 145 H LYS 19 HN LYS 19 -9.008 1.697 12.838 146 HA LYS 19 HA LYS 19 -10.017 3.100 15.053 147 1HB LYS 19 2HB LYS 19 -7.758 3.301 13.937 148 2HB LYS 19 1HB LYS 19 -8.523 4.285 12.688 149 1HG LYS 19 2HG LYS 19 -9.246 5.909 14.390 150 2HG LYS 19 1HG LYS 19 -8.524 4.917 15.656 151 1HD LYS 19 2HD LYS 19 -6.303 5.189 14.564 152 2HD LYS 19 1HD LYS 19 -7.046 6.247 13.365 153 1HE LYS 19 2HE LYS 19 -7.778 7.769 15.215 154 2HE LYS 19 1HE LYS 19 -6.900 6.739 16.362 155 1HZ LYS 19 2HZ LYS 19 -4.912 7.028 14.928 156 2HZ LYS 19 1HZ LYS 19 -5.774 8.163 14.004 157 3HZ LYS 19 3HZ LYS 19 -5.437 8.480 15.635 158 H ASP 20 HN ASP 20 -10.317 4.160 11.642 159 HA ASP 20 HA ASP 20 -12.781 5.684 12.406 160 1HB ASP 20 2HB ASP 20 -10.825 6.927 11.481 161 2HB ASP 20 1HB ASP 20 -10.907 5.934 10.026 162 H LEU 21 HN LEU 21 -14.351 4.025 12.120 163 HA LEU 21 HA LEU 21 -14.338 2.479 9.585 164 1HB LEU 21 2HB LEU 21 -14.690 1.431 11.826 165 2HB LEU 21 1HB LEU 21 -16.160 2.387 12.009 166 HG LEU 21 HG LEU 21 -16.978 1.355 9.842 167 1HD1 LEU 21 3HD1 LEU 21 -14.305 0.387 9.816 168 2HD1 LEU 21 2HD1 LEU 21 -15.359 -1.014 10.011 169 3HD1 LEU 21 1HD1 LEU 21 -15.577 0.070 8.637 170 1HD2 LEU 21 2HD2 LEU 21 -16.930 0.321 12.479 171 2HD2 LEU 21 1HD2 LEU 21 -18.103 -0.033 11.211 172 3HD2 LEU 21 3HD2 LEU 21 -16.675 -1.051 11.402 173 H GLN 22 HN GLN 22 -15.838 2.803 7.965 174 HA GLN 22 HA GLN 22 -17.803 5.038 8.341 175 1HB GLN 22 2HB GLN 22 -16.437 3.886 5.886 176 2HB GLN 22 1HB GLN 22 -17.589 5.219 5.858 177 1HG GLN 22 2HG GLN 22 -16.087 6.496 7.390 178 2HG GLN 22 1HG GLN 22 -14.914 5.183 7.286 179 1HE2 GLN 22 1HE2 GLN 22 -13.507 5.191 5.493 180 2HE2 GLN 22 2HE2 GLN 22 -13.655 6.245 4.170 181 H GLU 23 HN GLU 23 -19.538 4.567 6.302 182 HA GLU 23 HA GLU 23 -21.370 2.670 7.184 183 1HB GLU 23 2HB GLU 23 -22.313 2.853 4.941 184 2HB GLU 23 1HB GLU 23 -21.638 4.419 5.389 185 1HG GLU 23 2HG GLU 23 -19.509 3.727 4.198 186 2HG GLU 23 1HG GLU 23 -20.395 2.330 3.585 187 HA PRO 24 HA PRO 24 -19.807 -1.355 6.426 188 1HB PRO 24 2HB PRO 24 -22.167 -2.290 5.070 189 2HB PRO 24 1HB PRO 24 -21.701 -2.553 6.753 190 1HG PRO 24 2HG PRO 24 -23.785 -0.848 5.737 191 2HG PRO 24 1HG PRO 24 -23.338 -1.133 7.420 192 1HD PRO 24 2HD PRO 24 -22.905 1.253 5.865 193 2HD PRO 24 1HD PRO 24 -22.410 0.947 7.547 194 H GLN 25 HN GLN 25 -19.159 -2.816 4.635 195 HA GLN 25 HA GLN 25 -18.425 -3.244 2.426 196 1HB GLN 25 2HB GLN 25 -20.954 -2.818 2.161 197 2HB GLN 25 1HB GLN 25 -20.505 -1.201 1.621 198 1HG GLN 25 2HG GLN 25 -19.027 -2.257 -0.112 199 2HG GLN 25 1HG GLN 25 -19.654 -3.832 0.375 200 1HE2 GLN 25 1HE2 GLN 25 -21.374 -4.512 -0.902 201 2HE2 GLN 25 2HE2 GLN 25 -22.483 -3.487 -1.680 202 H GLU 26 HN GLU 26 -16.404 -2.098 2.989 203 HA GLU 26 HA GLU 26 -15.707 0.534 2.998 204 1HB GLU 26 2HB GLU 26 -14.347 -1.576 1.296 205 2HB GLU 26 1HB GLU 26 -13.580 -0.176 2.044 206 1HG GLU 26 2HG GLU 26 -13.138 -1.554 3.788 207 2HG GLU 26 1HG GLU 26 -14.850 -1.400 4.180 208 HA PRO 27 HA PRO 27 -17.732 1.663 -0.943 209 1HB PRO 27 2HB PRO 27 -17.548 4.378 -0.013 210 2HB PRO 27 1HB PRO 27 -18.991 3.368 -0.143 211 1HG PRO 27 2HG PRO 27 -17.674 4.219 2.246 212 2HG PRO 27 1HG PRO 27 -19.063 3.139 2.110 213 1HD PRO 27 2HD PRO 27 -16.315 2.469 2.795 214 2HD PRO 27 1HD PRO 27 -17.745 1.410 2.797 215 H ARG 28 HN ARG 28 -14.847 2.890 0.652 216 HA ARG 28 HA ARG 28 -13.857 4.404 -1.634 217 1HB ARG 28 2HB ARG 28 -12.605 3.333 0.914 218 2HB ARG 28 1HB ARG 28 -11.786 4.430 -0.198 219 1HG ARG 28 2HG ARG 28 -13.679 6.049 0.096 220 2HG ARG 28 1HG ARG 28 -14.355 4.973 1.320 221 1HD ARG 28 2HD ARG 28 -11.624 6.309 1.430 222 2HD ARG 28 1HD ARG 28 -13.030 6.706 2.436 223 HE ARG 28 HE ARG 28 -12.734 3.990 2.823 224 1HH1 ARG 28 1HH1 ARG 28 -10.013 5.850 2.265 225 2HH1 ARG 28 2HH1 ARG 28 -9.265 5.544 3.796 226 1HH2 ARG 28 1HH2 ARG 28 -12.040 3.950 5.132 227 2HH2 ARG 28 2HH2 ARG 28 -10.412 4.467 5.419 228 H VAL 29 HN VAL 29 -12.289 3.734 -3.146 229 HA VAL 29 HA VAL 29 -11.387 0.883 -3.017 230 HB VAL 29 HB VAL 29 -13.428 1.170 -4.434 231 1HG1 VAL 29 1HG1 VAL 29 -12.346 3.573 -5.112 232 2HG1 VAL 29 3HG1 VAL 29 -11.891 2.609 -6.516 233 3HG1 VAL 29 2HG1 VAL 29 -13.588 2.761 -6.064 234 1HG2 VAL 29 3HG2 VAL 29 -10.959 -0.056 -5.122 235 2HG2 VAL 29 2HG2 VAL 29 -12.574 -0.504 -5.673 236 3HG2 VAL 29 1HG2 VAL 29 -11.613 0.646 -6.602 237 H GLY 30 HN GLY 30 -9.254 0.627 -3.670 238 1HA GLY 30 1HA GLY 30 -7.535 2.882 -3.914 239 2HA GLY 30 2HA GLY 30 -7.876 2.276 -5.535 240 H LYS 31 HN LYS 31 -5.287 2.115 -4.770 241 HA LYS 31 HA LYS 31 -4.925 -0.797 -4.137 242 1HB LYS 31 2HB LYS 31 -3.319 1.121 -5.858 243 2HB LYS 31 1HB LYS 31 -2.916 -0.576 -5.594 244 1HG LYS 31 2HG LYS 31 -5.120 -1.221 -6.552 245 2HG LYS 31 1HG LYS 31 -5.456 0.481 -6.874 246 1HD LYS 31 2HD LYS 31 -3.403 0.580 -8.288 247 2HD LYS 31 1HD LYS 31 -3.168 -1.147 -8.024 248 1HE LYS 31 2HE LYS 31 -5.258 -1.667 -9.145 249 2HE LYS 31 1HE LYS 31 -5.678 0.053 -9.250 250 1HZ LYS 31 2HZ LYS 31 -3.324 0.194 -10.340 251 2HZ LYS 31 1HZ LYS 31 -3.591 -1.449 -10.682 252 3HZ LYS 31 3HZ LYS 31 -4.663 -0.276 -11.274 253 H LEU 32 HN LEU 32 -2.952 -1.328 -2.931 254 HA LEU 32 HA LEU 32 -1.470 -1.000 -1.120 255 1HB LEU 32 2HB LEU 32 -1.297 1.595 -2.676 256 2HB LEU 32 1HB LEU 32 -0.205 1.198 -1.350 257 HG LEU 32 HG LEU 32 0.248 -0.999 -2.624 258 1HD1 LEU 32 2HD1 LEU 32 -1.296 0.613 -4.644 259 2HD1 LEU 32 1HD1 LEU 32 -0.049 -0.515 -5.177 260 3HD1 LEU 32 3HD1 LEU 32 -1.434 -1.102 -4.256 261 1HD2 LEU 32 2HD2 LEU 32 1.170 1.757 -3.270 262 2HD2 LEU 32 1HD2 LEU 32 2.094 0.366 -2.701 263 3HD2 LEU 32 3HD2 LEU 32 1.633 0.484 -4.399 264 H ARG 33 HN ARG 33 -2.745 -0.966 0.747 265 HA ARG 33 HA ARG 33 -4.128 1.584 1.465 266 1HB ARG 33 2HB ARG 33 -4.295 -1.255 2.534 267 2HB ARG 33 1HB ARG 33 -5.290 0.089 3.094 268 1HG ARG 33 2HG ARG 33 -6.141 0.386 0.772 269 2HG ARG 33 1HG ARG 33 -5.207 -1.025 0.273 270 1HD ARG 33 2HD ARG 33 -6.459 -2.372 2.008 271 2HD ARG 33 1HD ARG 33 -7.496 -0.957 2.268 272 HE ARG 33 HE ARG 33 -7.275 -2.474 -0.298 273 1HH1 ARG 33 1HH1 ARG 33 -9.457 -1.397 1.929 274 2HH1 ARG 33 2HH1 ARG 33 -10.500 -0.578 0.814 275 1HH2 ARG 33 1HH2 ARG 33 -8.297 -0.848 -1.851 276 2HH2 ARG 33 2HH2 ARG 33 -9.843 -0.268 -1.327 277 H ASN 34 HN ASN 34 -1.577 2.117 1.798 278 HA ASN 34 HA ASN 34 -0.567 1.198 4.418 279 1HB ASN 34 2HB ASN 34 0.451 3.100 2.284 280 2HB ASN 34 1HB ASN 34 1.369 2.644 3.719 281 1HD2 ASN 34 1HD2 ASN 34 2.299 2.010 1.072 282 2HD2 ASN 34 2HD2 ASN 34 2.256 0.324 0.883 283 H PHE 35 HN PHE 35 -2.984 3.162 3.852 284 HA PHE 35 HA PHE 35 -2.086 5.603 5.243 285 1HB PHE 35 2HB PHE 35 -4.757 4.597 4.212 286 2HB PHE 35 1HB PHE 35 -4.498 6.207 4.881 287 HD1 PHE 35 HD1 PHE 35 -2.964 7.810 3.739 288 HD2 PHE 35 HD2 PHE 35 -3.990 4.014 2.008 289 HE1 PHE 35 HE1 PHE 35 -2.138 8.591 1.534 290 HE2 PHE 35 HE2 PHE 35 -3.163 4.796 -0.195 291 HZ PHE 35 HZ PHE 35 -2.238 7.084 -0.433 292 H ALA 36 HN ALA 36 -2.345 2.724 6.488 293 HA ALA 36 HA ALA 36 -4.393 2.602 8.405 294 1HB ALA 36 3HB ALA 36 -2.454 0.995 7.760 295 2HB ALA 36 2HB ALA 36 -1.524 1.863 8.982 296 3HB ALA 36 1HB ALA 36 -2.993 1.000 9.439 297 HA PRO 37 HA PRO 37 -3.729 5.991 11.137 298 1HB PRO 37 2HB PRO 37 -4.472 4.426 13.437 299 2HB PRO 37 1HB PRO 37 -5.462 5.581 12.541 300 1HG PRO 37 2HG PRO 37 -5.693 2.721 12.579 301 2HG PRO 37 1HG PRO 37 -6.673 3.875 11.670 302 1HD PRO 37 2HD PRO 37 -4.675 2.047 10.654 303 2HD PRO 37 1HD PRO 37 -5.681 3.191 9.734 304 H ILE 38 HN ILE 38 -3.032 5.438 13.960 305 HA ILE 38 HA ILE 38 -0.231 4.422 13.602 306 HB ILE 38 HB ILE 38 -1.184 6.656 15.418 307 1HG1 ILE 38 2HG1 ILE 38 -1.579 7.193 13.017 308 2HG1 ILE 38 1HG1 ILE 38 -0.325 8.207 13.730 309 1HG2 ILE 38 2HG2 ILE 38 0.969 5.492 15.974 310 2HG2 ILE 38 1HG2 ILE 38 1.578 5.947 14.382 311 3HG2 ILE 38 3HG2 ILE 38 1.185 7.194 15.566 312 1HD1 ILE 38 1HD1 ILE 38 1.067 5.974 12.810 313 2HD1 ILE 38 3HD1 ILE 38 -0.127 6.278 11.547 314 3HD1 ILE 38 2HD1 ILE 38 0.999 7.550 12.021 315 HA PRO 39 HA PRO 39 -1.218 1.594 16.848 316 1HB PRO 39 2HB PRO 39 1.504 1.611 17.776 317 2HB PRO 39 1HB PRO 39 0.706 0.399 16.769 318 1HG PRO 39 2HG PRO 39 2.700 2.310 15.982 319 2HG PRO 39 1HG PRO 39 1.894 1.108 14.973 320 1HD PRO 39 2HD PRO 39 1.517 3.973 14.964 321 2HD PRO 39 1HD PRO 39 0.719 2.761 13.934 322 H GLY 40 HN GLY 40 -1.124 1.508 19.269 323 1HA GLY 40 1HA GLY 40 -0.381 4.096 20.545 324 2HA GLY 40 2HA GLY 40 -0.600 2.571 21.403 325 H GLU 41 HN GLU 41 -3.051 2.581 19.255 326 HA GLU 41 HA GLU 41 -4.896 4.055 21.109 327 1HB GLU 41 2HB GLU 41 -4.432 4.097 18.219 328 2HB GLU 41 1HB GLU 41 -6.127 3.829 18.620 329 1HG GLU 41 2HG GLU 41 -4.865 5.893 20.281 330 2HG GLU 41 1HG GLU 41 -4.867 6.293 18.563 331 HA PRO 42 HA PRO 42 -5.952 -0.456 21.245 332 1HB PRO 42 2HB PRO 42 -7.015 0.121 23.856 333 2HB PRO 42 1HB PRO 42 -5.578 -0.822 23.450 334 1HG PRO 42 2HG PRO 42 -5.695 1.792 24.634 335 2HG PRO 42 1HG PRO 42 -4.260 0.851 24.226 336 1HD PRO 42 2HD PRO 42 -5.266 3.214 22.905 337 2HD PRO 42 1HD PRO 42 -3.816 2.269 22.496 338 H VAL 43 HN VAL 43 -8.007 -1.244 20.743 339 HA VAL 43 HA VAL 43 -10.399 0.402 21.386 340 HB VAL 43 HB VAL 43 -9.418 1.140 19.193 341 1HG1 VAL 43 1HG1 VAL 43 -9.258 -1.714 18.840 342 2HG1 VAL 43 3HG1 VAL 43 -10.255 -1.025 17.559 343 3HG1 VAL 43 2HG1 VAL 43 -8.609 -0.440 17.808 344 1HG2 VAL 43 2HG2 VAL 43 -11.951 1.027 19.793 345 2HG2 VAL 43 1HG2 VAL 43 -11.502 1.268 18.105 346 3HG2 VAL 43 3HG2 VAL 43 -11.996 -0.329 18.666 347 H VAL 44 HN VAL 44 -10.216 -1.813 22.734 348 HA VAL 44 HA VAL 44 -11.817 -3.850 21.222 349 HB VAL 44 HB VAL 44 -9.528 -4.237 23.179 350 1HG1 VAL 44 1HG1 VAL 44 -11.641 -6.061 22.131 351 2HG1 VAL 44 3HG1 VAL 44 -10.001 -6.701 22.220 352 3HG1 VAL 44 2HG1 VAL 44 -10.791 -6.097 23.675 353 1HG2 VAL 44 1HG2 VAL 44 -9.863 -4.569 20.203 354 2HG2 VAL 44 3HG2 VAL 44 -8.570 -3.757 21.084 355 3HG2 VAL 44 2HG2 VAL 44 -8.662 -5.518 21.080 356 HA PRO 45 HA PRO 45 -13.680 -2.319 25.314 357 1HB PRO 45 2HB PRO 45 -16.114 -1.916 23.834 358 2HB PRO 45 1HB PRO 45 -15.102 -0.699 24.615 359 1HG PRO 45 2HG PRO 45 -15.409 -1.206 21.800 360 2HG PRO 45 1HG PRO 45 -14.414 0.025 22.580 361 1HD PRO 45 2HD PRO 45 -13.527 -2.361 21.228 362 2HD PRO 45 1HD PRO 45 -12.526 -1.137 22.046 363 H ILE 46 HN ILE 46 -15.673 -3.376 26.317 364 HA ILE 46 HA ILE 46 -15.671 -6.169 26.137 365 HB ILE 46 HB ILE 46 -17.919 -4.253 26.842 366 1HG1 ILE 46 2HG1 ILE 46 -15.877 -5.636 28.608 367 2HG1 ILE 46 1HG1 ILE 46 -15.753 -3.959 28.076 368 1HG2 ILE 46 2HG2 ILE 46 -17.497 -7.174 27.550 369 2HG2 ILE 46 1HG2 ILE 46 -18.758 -6.142 28.225 370 3HG2 ILE 46 3HG2 ILE 46 -18.764 -6.533 26.505 371 1HD1 ILE 46 1HD1 ILE 46 -18.368 -4.235 29.087 372 2HD1 ILE 46 3HD1 ILE 46 -17.327 -5.072 30.239 373 3HD1 ILE 46 2HD1 ILE 46 -17.025 -3.379 29.844 374 H LEU 47 HN LEU 47 -17.733 -3.857 24.370 375 HA LEU 47 HA LEU 47 -18.847 -6.116 22.761 376 1HB LEU 47 2HB LEU 47 -19.664 -3.198 22.961 377 2HB LEU 47 1HB LEU 47 -20.592 -4.497 22.212 378 HG LEU 47 HG LEU 47 -19.847 -4.295 25.146 379 1HD1 LEU 47 2HD1 LEU 47 -21.826 -2.946 23.880 380 2HD1 LEU 47 1HD1 LEU 47 -22.662 -4.464 24.212 381 3HD1 LEU 47 3HD1 LEU 47 -21.971 -3.529 25.538 382 1HD2 LEU 47 2HD2 LEU 47 -20.908 -6.491 23.443 383 2HD2 LEU 47 1HD2 LEU 47 -19.952 -6.577 24.923 384 3HD2 LEU 47 3HD2 LEU 47 -21.687 -6.268 25.009 385 H CYS 48 HN CYS 48 -16.104 -4.833 22.449 386 HA CYS 48 HA CYS 48 -14.718 -4.166 20.649 387 1HB CYS 48 2HB CYS 48 -17.183 -5.175 19.191 388 2HB CYS 48 1HB CYS 48 -15.635 -4.844 18.414 389 H SER 49 HN SER 49 -14.338 -2.239 19.517 390 HA SER 49 HA SER 49 -16.155 -0.042 19.955 391 1HB SER 49 2HB SER 49 -13.677 0.095 19.827 392 2HB SER 49 1HB SER 49 -13.759 -0.328 18.117 393 HG SER 49 HG SER 49 -13.905 1.758 17.896 394 H ASN 50 HN ASN 50 -14.850 -0.941 16.778 395 HA ASN 50 HA ASN 50 -17.286 -0.020 15.448 396 1HB ASN 50 2HB ASN 50 -14.582 -1.081 14.709 397 2HB ASN 50 1HB ASN 50 -15.841 -1.032 13.474 398 1HD2 ASN 50 1HD2 ASN 50 -17.201 1.323 14.076 399 2HD2 ASN 50 2HD2 ASN 50 -16.152 2.653 13.959 400 HA PRO 51 HA PRO 51 -19.143 -4.108 15.839 401 1HB PRO 51 2HB PRO 51 -21.318 -3.101 14.249 402 2HB PRO 51 1HB PRO 51 -21.289 -3.395 15.990 403 1HG PRO 51 2HG PRO 51 -21.330 -0.870 14.648 404 2HG PRO 51 1HG PRO 51 -21.227 -1.165 16.385 405 1HD PRO 51 2HD PRO 51 -19.142 -0.222 14.593 406 2HD PRO 51 1HD PRO 51 -19.074 -0.413 16.360 407 H ASN 52 HN ASN 52 -17.764 -2.573 13.226 408 HA ASN 52 HA ASN 52 -18.335 -4.901 11.434 409 1HB ASN 52 2HB ASN 52 -18.252 -1.937 10.786 410 2HB ASN 52 1HB ASN 52 -18.343 -3.210 9.569 411 1HD2 ASN 52 1HD2 ASN 52 -20.446 -1.287 9.844 412 2HD2 ASN 52 2HD2 ASN 52 -21.830 -2.081 10.421 413 H PHE 53 HN PHE 53 -16.047 -4.282 13.239 414 HA PHE 53 HA PHE 53 -13.815 -3.383 11.585 415 1HB PHE 53 2HB PHE 53 -12.584 -3.710 13.585 416 2HB PHE 53 1HB PHE 53 -14.203 -3.334 14.168 417 HD1 PHE 53 HD1 PHE 53 -15.783 -5.280 14.711 418 HD2 PHE 53 HD2 PHE 53 -11.554 -5.781 14.129 419 HE1 PHE 53 HE1 PHE 53 -15.878 -7.460 15.886 420 HE2 PHE 53 HE2 PHE 53 -11.650 -7.962 15.308 421 HZ PHE 53 HZ PHE 53 -13.813 -8.800 16.184 422 HA PRO 54 HA PRO 54 -12.288 -7.125 9.830 423 1HB PRO 54 2HB PRO 54 -10.112 -7.709 11.630 424 2HB PRO 54 1HB PRO 54 -10.027 -7.003 10.016 425 1HG PRO 54 2HG PRO 54 -9.639 -5.702 12.559 426 2HG PRO 54 1HG PRO 54 -9.511 -4.997 10.946 427 1HD PRO 54 2HD PRO 54 -11.553 -4.524 12.889 428 2HD PRO 54 1HD PRO 54 -11.495 -3.903 11.225 429 H GLU 55 HN GLU 55 -14.370 -7.962 10.921 430 HA GLU 55 HA GLU 55 -14.646 -9.322 13.301 431 1HB GLU 55 2HB GLU 55 -16.329 -9.023 11.483 432 2HB GLU 55 1HB GLU 55 -15.526 -10.303 10.567 433 1HG GLU 55 2HG GLU 55 -15.915 -11.864 12.471 434 2HG GLU 55 1HG GLU 55 -16.794 -10.586 13.310 435 H GLU 56 HN GLU 56 -12.856 -10.448 10.443 436 HA GLU 56 HA GLU 56 -12.403 -13.146 11.181 437 1HB GLU 56 2HB GLU 56 -10.622 -11.090 9.825 438 2HB GLU 56 1HB GLU 56 -10.323 -12.828 9.800 439 1HG GLU 56 2HG GLU 56 -12.570 -13.157 8.757 440 2HG GLU 56 1HG GLU 56 -12.767 -11.405 8.699 441 H LEU 57 HN LEU 57 -11.366 -10.219 12.633 442 HA LEU 57 HA LEU 57 -9.159 -11.500 14.167 443 1HB LEU 57 2HB LEU 57 -10.197 -8.688 13.732 444 2HB LEU 57 1HB LEU 57 -8.967 -9.047 14.944 445 HG LEU 57 HG LEU 57 -7.599 -10.121 13.151 446 1HD1 LEU 57 3HD1 LEU 57 -10.031 -9.482 11.612 447 2HD1 LEU 57 2HD1 LEU 57 -8.520 -9.069 10.803 448 3HD1 LEU 57 1HD1 LEU 57 -8.814 -10.725 11.330 449 1HD2 LEU 57 2HD2 LEU 57 -8.385 -7.229 13.098 450 2HD2 LEU 57 1HD2 LEU 57 -6.854 -7.958 13.582 451 3HD2 LEU 57 3HD2 LEU 57 -7.267 -7.826 11.871 452 H LYS 58 HN LYS 58 -12.334 -11.592 14.385 453 HA LYS 58 HA LYS 58 -13.397 -10.548 16.677 454 1HB LYS 58 2HB LYS 58 -13.645 -13.010 15.113 455 2HB LYS 58 1HB LYS 58 -14.146 -13.223 16.791 456 1HG LYS 58 2HG LYS 58 -15.169 -10.714 15.905 457 2HG LYS 58 1HG LYS 58 -15.559 -11.911 14.669 458 1HD LYS 58 2HD LYS 58 -16.135 -13.318 16.930 459 2HD LYS 58 1HD LYS 58 -16.533 -11.683 17.457 460 1HE LYS 58 2HE LYS 58 -18.213 -11.433 15.834 461 2HE LYS 58 1HE LYS 58 -17.517 -12.683 14.785 462 1HZ LYS 58 3HZ LYS 58 -17.895 -14.102 16.974 463 2HZ LYS 58 2HZ LYS 58 -19.140 -12.968 17.204 464 3HZ LYS 58 1HZ LYS 58 -19.110 -13.930 15.804 465 HA PRO 59 HA PRO 59 -11.331 -14.106 19.344 466 1HB PRO 59 2HB PRO 59 -8.822 -14.601 18.015 467 2HB PRO 59 1HB PRO 59 -10.123 -15.746 18.353 468 1HG PRO 59 2HG PRO 59 -9.396 -14.532 15.820 469 2HG PRO 59 1HG PRO 59 -10.589 -15.795 16.132 470 1HD PRO 59 2HD PRO 59 -11.126 -13.112 15.390 471 2HD PRO 59 1HD PRO 59 -12.316 -14.300 15.966 472 H LEU 60 HN LEU 60 -9.217 -11.909 17.441 473 HA LEU 60 HA LEU 60 -7.434 -11.215 19.551 474 1HB LEU 60 2HB LEU 60 -8.406 -9.998 16.984 475 2HB LEU 60 1HB LEU 60 -7.382 -9.034 18.048 476 HG LEU 60 HG LEU 60 -5.722 -10.898 18.060 477 1HD1 LEU 60 1HD1 LEU 60 -7.630 -12.056 16.011 478 2HD1 LEU 60 3HD1 LEU 60 -6.001 -12.662 16.306 479 3HD1 LEU 60 2HD1 LEU 60 -7.220 -12.755 17.577 480 1HD2 LEU 60 1HD2 LEU 60 -5.971 -8.942 16.256 481 2HD2 LEU 60 3HD2 LEU 60 -4.725 -10.179 16.100 482 3HD2 LEU 60 2HD2 LEU 60 -6.218 -10.310 15.172 483 H CYS 61 HN CYS 61 -10.638 -9.954 18.648 484 HA CYS 61 HA CYS 61 -10.626 -7.677 20.402 485 1HB CYS 61 2HB CYS 61 -12.149 -8.014 18.488 486 2HB CYS 61 1HB CYS 61 -12.872 -9.401 19.302 487 H LYS 62 HN LYS 62 -11.327 -11.099 20.884 488 HA LYS 62 HA LYS 62 -12.238 -10.540 23.679 489 1HB LYS 62 2HB LYS 62 -12.341 -13.000 21.897 490 2HB LYS 62 1HB LYS 62 -13.005 -12.917 23.528 491 1HG LYS 62 2HG LYS 62 -14.465 -11.027 22.791 492 2HG LYS 62 1HG LYS 62 -13.855 -11.236 21.149 493 1HD LYS 62 2HD LYS 62 -14.664 -13.604 21.202 494 2HD LYS 62 1HD LYS 62 -15.371 -13.291 22.787 495 1HE LYS 62 2HE LYS 62 -16.365 -11.187 21.306 496 2HE LYS 62 1HE LYS 62 -16.351 -12.507 20.120 497 1HZ LYS 62 3HZ LYS 62 -17.436 -13.929 21.752 498 2HZ LYS 62 2HZ LYS 62 -17.454 -12.661 22.883 499 3HZ LYS 62 1HZ LYS 62 -18.379 -12.549 21.462 500 H GLU 63 HN GLU 63 -9.401 -10.521 22.535 501 HA GLU 63 HA GLU 63 -8.229 -12.693 24.232 502 1HB GLU 63 2HB GLU 63 -7.821 -11.691 21.534 503 2HB GLU 63 1HB GLU 63 -6.320 -11.635 22.455 504 1HG GLU 63 2HG GLU 63 -7.049 -13.828 21.153 505 2HG GLU 63 1HG GLU 63 -6.227 -13.925 22.713 506 HA PRO 64 HA PRO 64 -6.626 -9.475 26.815 507 1HB PRO 64 2HB PRO 64 -4.407 -11.150 27.561 508 2HB PRO 64 1HB PRO 64 -5.876 -10.822 28.483 509 1HG PRO 64 2HG PRO 64 -5.136 -13.264 27.182 510 2HG PRO 64 1HG PRO 64 -6.631 -12.917 28.056 511 1HD PRO 64 2HD PRO 64 -6.250 -13.202 25.191 512 2HD PRO 64 1HD PRO 64 -7.770 -12.942 26.080 513 H ASN 65 HN ASN 65 -4.629 -11.270 24.508 514 HA ASN 65 HA ASN 65 -2.432 -9.336 24.536 515 1HB ASN 65 2HB ASN 65 -3.199 -11.577 22.636 516 2HB ASN 65 1HB ASN 65 -1.630 -10.770 22.680 517 1HD2 ASN 65 1HD2 ASN 65 -1.937 -13.603 23.184 518 2HD2 ASN 65 2HD2 ASN 65 -1.515 -13.893 24.802 519 H ALA 66 HN ALA 66 -5.537 -9.314 23.163 520 HA ALA 66 HA ALA 66 -5.334 -8.303 20.582 521 1HB ALA 66 2HB ALA 66 -7.310 -8.644 22.314 522 2HB ALA 66 3HB ALA 66 -7.488 -7.502 20.984 523 3HB ALA 66 1HB ALA 66 -7.077 -6.920 22.597 524 H GLN 67 HN GLN 67 -4.771 -6.554 23.633 525 HA GLN 67 HA GLN 67 -4.435 -3.937 22.567 526 1HB GLN 67 2HB GLN 67 -3.209 -5.374 24.942 527 2HB GLN 67 1HB GLN 67 -3.130 -3.628 24.701 528 1HG GLN 67 2HG GLN 67 -5.596 -3.517 24.685 529 2HG GLN 67 1HG GLN 67 -5.678 -5.263 24.915 530 1HE2 GLN 67 1HE2 GLN 67 -6.830 -3.504 26.837 531 2HE2 GLN 67 2HE2 GLN 67 -5.926 -3.594 28.271 532 H GLU 68 HN GLU 68 -2.075 -6.584 23.025 533 HA GLU 68 HA GLU 68 0.155 -4.985 21.994 534 1HB GLU 68 2HB GLU 68 0.346 -6.795 23.704 535 2HB GLU 68 1HB GLU 68 -0.154 -7.966 22.485 536 1HG GLU 68 2HG GLU 68 1.798 -7.246 21.081 537 2HG GLU 68 1HG GLU 68 2.330 -6.229 22.420 538 H ILE 69 HN ILE 69 -2.018 -7.514 20.769 539 HA ILE 69 HA ILE 69 -0.697 -7.931 18.251 540 HB ILE 69 HB ILE 69 -3.590 -8.235 19.122 541 1HG1 ILE 69 2HG1 ILE 69 -1.346 -10.270 18.983 542 2HG1 ILE 69 1HG1 ILE 69 -1.883 -9.484 20.467 543 1HG2 ILE 69 3HG2 ILE 69 -2.135 -8.855 16.611 544 2HG2 ILE 69 2HG2 ILE 69 -3.181 -10.134 17.228 545 3HG2 ILE 69 1HG2 ILE 69 -3.851 -8.542 16.869 546 1HD1 ILE 69 3HD1 ILE 69 -4.130 -10.576 18.976 547 2HD1 ILE 69 2HD1 ILE 69 -2.941 -11.824 19.349 548 3HD1 ILE 69 1HD1 ILE 69 -3.654 -10.870 20.649 549 H LEU 70 HN LEU 70 -3.352 -5.750 19.239 550 HA LEU 70 HA LEU 70 -4.035 -4.704 16.708 551 1HB LEU 70 2HB LEU 70 -5.385 -4.171 18.569 552 2HB LEU 70 1HB LEU 70 -4.003 -3.628 19.524 553 HG LEU 70 HG LEU 70 -3.792 -1.907 17.465 554 1HD1 LEU 70 3HD1 LEU 70 -6.638 -2.852 17.533 555 2HD1 LEU 70 2HD1 LEU 70 -6.283 -1.175 17.120 556 3HD1 LEU 70 1HD1 LEU 70 -5.619 -2.485 16.142 557 1HD2 LEU 70 3HD2 LEU 70 -5.525 -1.733 19.929 558 2HD2 LEU 70 2HD2 LEU 70 -3.879 -1.138 19.708 559 3HD2 LEU 70 1HD2 LEU 70 -5.223 -0.343 18.886 560 H GLN 71 HN GLN 71 -1.763 -3.206 19.073 561 HA GLN 71 HA GLN 71 -0.808 -1.102 17.517 562 1HB GLN 71 2HB GLN 71 0.677 -2.981 19.387 563 2HB GLN 71 1HB GLN 71 1.267 -1.394 18.892 564 1HG GLN 71 2HG GLN 71 -0.695 -0.321 19.892 565 2HG GLN 71 1HG GLN 71 -1.362 -1.896 20.323 566 1HE2 GLN 71 1HE2 GLN 71 -0.815 0.039 22.346 567 2HE2 GLN 71 2HE2 GLN 71 0.479 -0.515 23.293 568 H ARG 72 HN ARG 72 -0.447 -4.484 16.969 569 HA ARG 72 HA ARG 72 1.909 -4.210 15.203 570 1HB ARG 72 2HB ARG 72 1.365 -6.180 16.740 571 2HB ARG 72 1HB ARG 72 0.048 -6.569 15.634 572 1HG ARG 72 2HG ARG 72 1.702 -6.691 13.768 573 2HG ARG 72 1HG ARG 72 2.996 -6.415 14.935 574 1HD ARG 72 2HD ARG 72 1.024 -8.725 15.094 575 2HD ARG 72 1HD ARG 72 2.670 -8.851 14.443 576 HE ARG 72 HE ARG 72 2.045 -8.047 17.265 577 1HH1 ARG 72 1HH1 ARG 72 4.691 -7.734 15.431 578 2HH1 ARG 72 2HH1 ARG 72 5.686 -8.890 16.250 579 1HH2 ARG 72 1HH2 ARG 72 3.068 -10.243 18.079 580 2HH2 ARG 72 2HH2 ARG 72 4.768 -10.310 17.750 581 H LEU 73 HN LEU 73 -1.466 -5.378 14.835 582 HA LEU 73 HA LEU 73 -1.600 -5.409 12.023 583 1HB LEU 73 2HB LEU 73 -3.686 -4.556 14.066 584 2HB LEU 73 1HB LEU 73 -4.033 -5.096 12.424 585 HG LEU 73 HG LEU 73 -2.715 -6.733 14.612 586 1HD1 LEU 73 2HD1 LEU 73 -5.430 -6.785 13.280 587 2HD1 LEU 73 1HD1 LEU 73 -4.789 -8.166 14.170 588 3HD1 LEU 73 3HD1 LEU 73 -5.068 -6.635 14.999 589 1HD2 LEU 73 3HD2 LEU 73 -2.632 -6.947 11.727 590 2HD2 LEU 73 2HD2 LEU 73 -1.826 -7.948 12.936 591 3HD2 LEU 73 1HD2 LEU 73 -3.466 -8.340 12.417 592 H GLU 74 HN GLU 74 -2.396 -2.725 14.259 593 HA GLU 74 HA GLU 74 -2.957 -0.730 12.341 594 1HB GLU 74 2HB GLU 74 -1.672 -0.661 15.088 595 2HB GLU 74 1HB GLU 74 -2.208 0.787 14.238 596 1HG GLU 74 2HG GLU 74 -4.494 -0.298 14.049 597 2HG GLU 74 1HG GLU 74 -3.910 -1.550 15.144 598 H GLU 75 HN GLU 75 0.203 -1.361 13.980 599 HA GLU 75 HA GLU 75 1.722 0.475 12.419 600 1HB GLU 75 2HB GLU 75 2.367 -0.618 14.569 601 2HB GLU 75 1HB GLU 75 2.536 -2.149 13.713 602 1HG GLU 75 2HG GLU 75 4.238 -1.077 12.227 603 2HG GLU 75 1HG GLU 75 4.124 0.386 13.205 604 H ILE 76 HN ILE 76 1.422 -3.090 12.059 605 HA ILE 76 HA ILE 76 2.885 -3.272 9.611 606 HB ILE 76 HB ILE 76 0.634 -4.968 10.745 607 1HG1 ILE 76 2HG1 ILE 76 2.398 -4.801 12.363 608 2HG1 ILE 76 1HG1 ILE 76 2.619 -6.350 11.548 609 1HG2 ILE 76 2HG2 ILE 76 2.748 -5.525 8.645 610 2HG2 ILE 76 1HG2 ILE 76 1.784 -6.784 9.417 611 3HG2 ILE 76 3HG2 ILE 76 0.999 -5.552 8.428 612 1HD1 ILE 76 2HD1 ILE 76 4.273 -5.270 10.024 613 2HD1 ILE 76 1HD1 ILE 76 4.097 -3.772 10.937 614 3HD1 ILE 76 3HD1 ILE 76 4.774 -5.202 11.714 615 H ALA 77 HN ALA 77 -0.515 -2.600 10.304 616 HA ALA 77 HA ALA 77 -1.597 -2.900 7.689 617 1HB ALA 77 3HB ALA 77 -3.103 -2.613 9.480 618 2HB ALA 77 2HB ALA 77 -2.211 -1.237 10.128 619 3HB ALA 77 1HB ALA 77 -3.179 -1.051 8.664 620 H GLU 78 HN GLU 78 0.186 -0.253 9.215 621 HA GLU 78 HA GLU 78 -0.256 1.797 7.302 622 1HB GLU 78 2HB GLU 78 0.844 1.959 9.552 623 2HB GLU 78 1HB GLU 78 2.263 1.163 8.871 624 1HG GLU 78 2HG GLU 78 2.440 2.990 7.186 625 2HG GLU 78 1HG GLU 78 1.076 3.800 7.956 626 H ASP 79 HN ASP 79 2.140 -0.852 7.337 627 HA ASP 79 HA ASP 79 2.554 -0.415 4.415 628 1HB ASP 79 2HB ASP 79 5.004 -0.479 4.785 629 2HB ASP 79 1HB ASP 79 4.267 0.874 5.640 630 HA PRO 80 HA PRO 80 2.417 -4.794 4.165 631 1HB PRO 80 2HB PRO 80 4.604 -4.933 2.301 632 2HB PRO 80 1HB PRO 80 2.874 -5.007 1.958 633 1HG PRO 80 2HG PRO 80 4.702 -2.844 1.424 634 2HG PRO 80 1HG PRO 80 2.984 -2.943 1.030 635 1HD PRO 80 2HD PRO 80 4.225 -1.304 3.036 636 2HD PRO 80 1HD PRO 80 2.486 -1.468 2.698 637 H GLY 81 HN GLY 81 5.823 -3.626 4.009 638 1HA GLY 81 1HA GLY 81 6.497 -5.027 6.471 639 2HA GLY 81 2HA GLY 81 7.629 -4.173 5.422 640 H THR 82 HN THR 82 7.539 -6.996 6.671 641 HA THR 82 HA THR 82 8.742 -8.361 4.376 642 HB THR 82 HB THR 82 9.256 -10.040 6.068 643 HG1 THR 82 1HG THR 82 7.353 -10.179 7.167 644 1HG2 THR 82 2HG2 THR 82 10.547 -7.925 6.111 645 2HG2 THR 82 1HG2 THR 82 9.391 -7.256 7.261 646 3HG2 THR 82 3HG2 THR 82 10.397 -8.631 7.719 647 H CYS 83 HN CYS 83 5.622 -8.261 5.901 648 HA CYS 83 HA CYS 83 4.575 -10.817 5.305 649 1HB CYS 83 2HB CYS 83 3.316 -9.286 6.626 650 2HB CYS 83 1HB CYS 83 3.412 -8.027 5.393 651 H GLU 84 HN GLU 84 4.379 -7.868 3.279 652 HA GLU 84 HA GLU 84 3.172 -9.009 1.003 653 1HB GLU 84 2HB GLU 84 3.566 -6.601 1.499 654 2HB GLU 84 1HB GLU 84 5.281 -6.836 1.164 655 1HG GLU 84 2HG GLU 84 4.682 -7.612 -1.133 656 2HG GLU 84 1HG GLU 84 2.992 -7.248 -0.786 657 H ILE 85 HN ILE 85 6.566 -9.121 2.029 658 HA ILE 85 HA ILE 85 7.319 -10.406 -0.551 659 HB ILE 85 HB ILE 85 9.593 -9.985 0.226 660 1HG1 ILE 85 2HG1 ILE 85 8.218 -9.300 2.833 661 2HG1 ILE 85 1HG1 ILE 85 9.402 -10.577 2.554 662 1HG2 ILE 85 1HG2 ILE 85 7.670 -7.708 0.771 663 2HG2 ILE 85 3HG2 ILE 85 9.417 -7.502 0.659 664 3HG2 ILE 85 2HG2 ILE 85 8.502 -8.058 -0.744 665 1HD1 ILE 85 2HD1 ILE 85 10.776 -8.388 1.668 666 2HD1 ILE 85 1HD1 ILE 85 9.804 -7.674 2.955 667 3HD1 ILE 85 3HD1 ILE 85 10.888 -9.018 3.312 668 H CYS 86 HN CYS 86 5.802 -11.581 1.970 669 HA CYS 86 HA CYS 86 5.759 -13.662 3.096 670 1HB CYS 86 2HB CYS 86 7.484 -14.533 0.768 671 2HB CYS 86 1HB CYS 86 6.267 -15.477 1.626 672 H ALA 87 HN ALA 87 8.182 -11.779 3.458 673 HA ALA 87 HA ALA 87 10.501 -13.467 3.862 674 1HB ALA 87 2HB ALA 87 10.892 -11.275 5.431 675 2HB ALA 87 3HB ALA 87 9.608 -10.685 4.375 676 3HB ALA 87 1HB ALA 87 11.122 -11.267 3.682 677 H TYR 88 HN TYR 88 7.585 -13.097 5.603 678 HA TYR 88 HA TYR 88 8.706 -14.670 7.858 679 1HB TYR 88 2HB TYR 88 7.603 -11.870 7.964 680 2HB TYR 88 1HB TYR 88 7.429 -12.932 9.362 681 HD1 TYR 88 HD1 TYR 88 9.901 -11.375 7.060 682 HD2 TYR 88 HD2 TYR 88 9.291 -13.447 10.771 683 HE1 TYR 88 HE1 TYR 88 12.246 -10.899 7.709 684 HE2 TYR 88 HE2 TYR 88 11.636 -12.972 11.422 685 HH TYR 88 HH TYR 88 13.976 -12.045 9.319 686 H ALA 89 HN ALA 89 6.813 -15.305 9.367 687 HA ALA 89 HA ALA 89 4.629 -16.358 7.733 688 1HB ALA 89 1HB ALA 89 5.779 -17.503 9.661 689 2HB ALA 89 2HB ALA 89 4.023 -17.457 9.818 690 3HB ALA 89 3HB ALA 89 5.020 -16.334 10.743 691 H ALA 90 HN ALA 90 5.137 -13.331 8.962 692 HA ALA 90 HA ALA 90 2.665 -12.677 10.259 693 1HB ALA 90 3HB ALA 90 4.946 -11.291 8.935 694 2HB ALA 90 2HB ALA 90 3.474 -10.347 9.170 695 3HB ALA 90 1HB ALA 90 4.290 -11.070 10.557 696 H CYS 91 HN CYS 91 3.330 -13.474 7.001 697 HA CYS 91 HA CYS 91 0.897 -12.016 6.042 698 1HB CYS 91 2HB CYS 91 3.410 -12.032 5.069 699 2HB CYS 91 1HB CYS 91 2.768 -13.420 4.196 700 H THR 92 HN THR 92 0.084 -13.486 3.960 701 HA THR 92 HA THR 92 -0.110 -16.342 4.753 702 HB THR 92 HB THR 92 -2.669 -14.891 4.244 703 HG1 THR 92 1HG THR 92 -1.550 -13.560 5.720 704 1HG2 THR 92 2HG2 THR 92 -1.812 -17.067 6.171 705 2HG2 THR 92 1HG2 THR 92 -3.466 -16.505 5.932 706 3HG2 THR 92 3HG2 THR 92 -2.614 -17.322 4.623 707 H GLY 93 HN GLY 93 -0.296 -13.842 2.369 708 1HA GLY 93 1HA GLY 93 -0.603 -13.914 0.043 709 2HA GLY 93 2HA GLY 93 -1.669 -15.294 0.303 710 H CYS 94 HN CYS 94 1.580 -15.438 1.542 711 HA CYS 94 HA CYS 94 2.280 -17.355 -0.653 712 1HB CYS 94 2HB CYS 94 4.664 -16.473 -0.025 713 2HB CYS 94 1HB CYS 94 3.627 -15.472 -1.036 No H/Q in entry = 713 Start of MODEL 30 1 H1 VAL 1 2H VAL 1 -2.559 -12.013 -0.181 2 H2 VAL 1 1H VAL 1 -1.169 -12.296 -1.117 3 H3 VAL 1 3H VAL 1 -1.844 -13.554 -0.203 4 HA VAL 1 HA VAL 1 -0.267 -13.010 1.304 5 HB VAL 1 HB VAL 1 -0.344 -10.410 -0.239 6 1HG1 VAL 1 2HG1 VAL 1 0.119 -10.030 2.222 7 2HG1 VAL 1 1HG1 VAL 1 1.531 -11.072 2.046 8 3HG1 VAL 1 3HG1 VAL 1 1.435 -9.558 1.148 9 1HG2 VAL 1 2HG2 VAL 1 0.814 -12.730 -0.902 10 2HG2 VAL 1 1HG2 VAL 1 1.577 -11.182 -1.259 11 3HG2 VAL 1 3HG2 VAL 1 2.081 -12.107 0.155 12 H THR 2 HN THR 2 -1.712 -13.229 3.059 13 HA THR 2 HA THR 2 -3.116 -10.722 3.931 14 HB THR 2 HB THR 2 -3.807 -13.636 4.426 15 HG1 THR 2 1HG THR 2 -5.299 -13.367 2.840 16 1HG2 THR 2 3HG2 THR 2 -4.981 -11.019 5.275 17 2HG2 THR 2 2HG2 THR 2 -6.076 -12.358 4.929 18 3HG2 THR 2 1HG2 THR 2 -4.840 -12.529 6.175 19 H VAL 3 HN VAL 3 -2.990 -10.213 6.179 20 HA VAL 3 HA VAL 3 -0.618 -11.270 7.554 21 HB VAL 3 HB VAL 3 -2.342 -8.929 7.575 22 1HG1 VAL 3 2HG1 VAL 3 -1.750 -10.291 10.206 23 2HG1 VAL 3 1HG1 VAL 3 -1.949 -8.541 10.099 24 3HG1 VAL 3 3HG1 VAL 3 -3.277 -9.609 9.645 25 1HG2 VAL 3 1HG2 VAL 3 0.447 -9.726 8.219 26 2HG2 VAL 3 3HG2 VAL 3 -0.141 -8.384 7.237 27 3HG2 VAL 3 2HG2 VAL 3 -0.143 -8.255 8.996 28 H GLN 4 HN GLN 4 -0.842 -13.179 8.637 29 HA GLN 4 HA GLN 4 -3.451 -13.751 9.996 30 1HB GLN 4 2HB GLN 4 -2.617 -15.275 8.193 31 2HB GLN 4 1HB GLN 4 -1.187 -15.597 9.173 32 1HG GLN 4 2HG GLN 4 -2.627 -16.465 10.985 33 2HG GLN 4 1HG GLN 4 -4.052 -16.150 9.998 34 1HE2 GLN 4 1HE2 GLN 4 -3.821 -18.761 10.687 35 2HE2 GLN 4 2HE2 GLN 4 -3.227 -19.703 9.407 36 H ASP 5 HN ASP 5 -3.393 -13.434 12.172 37 HA ASP 5 HA ASP 5 -0.780 -13.596 13.607 38 1HB ASP 5 2HB ASP 5 -3.510 -12.458 14.296 39 2HB ASP 5 1HB ASP 5 -2.121 -12.419 15.385 40 H GLY 6 HN GLY 6 -3.115 -15.694 12.773 41 1HA GLY 6 1HA GLY 6 -4.152 -16.901 15.067 42 2HA GLY 6 2HA GLY 6 -2.520 -17.551 14.903 43 H ASN 7 HN ASN 7 -5.286 -18.772 14.485 44 HA ASN 7 HA ASN 7 -4.584 -20.306 12.088 45 1HB ASN 7 2HB ASN 7 -6.950 -20.322 13.989 46 2HB ASN 7 1HB ASN 7 -6.655 -21.544 12.753 47 1HD2 ASN 7 1HD2 ASN 7 -6.713 -22.263 15.515 48 2HD2 ASN 7 2HD2 ASN 7 -5.147 -22.712 15.992 49 H PHE 8 HN PHE 8 -5.915 -17.319 12.376 50 HA PHE 8 HA PHE 8 -7.716 -17.732 10.008 51 1HB PHE 8 2HB PHE 8 -7.960 -15.756 12.301 52 2HB PHE 8 1HB PHE 8 -9.108 -15.949 10.977 53 HD1 PHE 8 HD1 PHE 8 -7.638 -17.590 13.961 54 HD2 PHE 8 HD2 PHE 8 -10.683 -17.768 10.936 55 HE1 PHE 8 HE1 PHE 8 -8.775 -19.404 15.212 56 HE2 PHE 8 HE2 PHE 8 -11.820 -19.583 12.187 57 HZ PHE 8 HZ PHE 8 -10.865 -20.401 14.325 58 H SER 9 HN SER 9 -7.295 -16.379 8.272 59 HA SER 9 HA SER 9 -4.895 -14.706 8.341 60 1HB SER 9 2HB SER 9 -7.035 -15.216 6.247 61 2HB SER 9 1HB SER 9 -5.503 -14.397 5.941 62 HG SER 9 HG SER 9 -6.021 -17.023 6.061 63 H PHE 10 HN PHE 10 -4.865 -12.516 8.699 64 HA PHE 10 HA PHE 10 -7.500 -11.091 8.827 65 1HB PHE 10 2HB PHE 10 -4.846 -10.537 10.193 66 2HB PHE 10 1HB PHE 10 -6.360 -9.682 10.492 67 HD1 PHE 10 HD1 PHE 10 -8.197 -12.119 10.252 68 HD2 PHE 10 HD2 PHE 10 -4.526 -11.480 12.388 69 HE1 PHE 10 HE1 PHE 10 -8.848 -13.862 11.892 70 HE2 PHE 10 HE2 PHE 10 -5.178 -13.223 14.028 71 HZ PHE 10 HZ PHE 10 -7.339 -14.412 13.780 72 H SER 11 HN SER 11 -7.797 -9.637 7.188 73 HA SER 11 HA SER 11 -5.637 -8.842 5.405 74 1HB SER 11 2HB SER 11 -7.421 -7.708 4.244 75 2HB SER 11 1HB SER 11 -8.104 -9.206 4.874 76 HG SER 11 HG SER 11 -8.796 -7.942 6.710 77 H LEU 12 HN LEU 12 -5.343 -6.385 4.964 78 HA LEU 12 HA LEU 12 -4.948 -5.022 7.590 79 1HB LEU 12 2HB LEU 12 -3.783 -4.621 4.817 80 2HB LEU 12 1HB LEU 12 -3.343 -3.658 6.227 81 HG LEU 12 HG LEU 12 -1.681 -5.363 6.075 82 1HD1 LEU 12 2HD1 LEU 12 -3.143 -5.051 8.306 83 2HD1 LEU 12 1HD1 LEU 12 -3.480 -6.754 8.001 84 3HD1 LEU 12 3HD1 LEU 12 -1.816 -6.209 8.210 85 1HD2 LEU 12 3HD2 LEU 12 -3.415 -6.765 4.601 86 2HD2 LEU 12 2HD2 LEU 12 -2.051 -7.540 5.408 87 3HD2 LEU 12 1HD2 LEU 12 -3.657 -7.601 6.134 88 H GLU 13 HN GLU 13 -6.971 -4.921 4.823 89 HA GLU 13 HA GLU 13 -7.449 -2.119 4.541 90 1HB GLU 13 2HB GLU 13 -9.323 -4.478 4.158 91 2HB GLU 13 1HB GLU 13 -9.493 -2.890 3.413 92 1HG GLU 13 2HG GLU 13 -7.345 -3.206 2.242 93 2HG GLU 13 1HG GLU 13 -7.169 -4.794 2.989 94 H SER 14 HN SER 14 -9.844 -4.369 5.928 95 HA SER 14 HA SER 14 -11.476 -2.627 7.290 96 1HB SER 14 2HB SER 14 -10.417 -5.190 8.501 97 2HB SER 14 1HB SER 14 -12.034 -4.508 8.674 98 HG SER 14 HG SER 14 -11.425 -6.274 6.979 99 H VAL 15 HN VAL 15 -8.376 -3.908 8.535 100 HA VAL 15 HA VAL 15 -8.478 -2.598 11.073 101 HB VAL 15 HB VAL 15 -6.304 -3.643 9.259 102 1HG1 VAL 15 1HG1 VAL 15 -5.976 -1.768 11.393 103 2HG1 VAL 15 3HG1 VAL 15 -5.384 -3.332 11.951 104 3HG1 VAL 15 2HG1 VAL 15 -4.721 -2.610 10.486 105 1HG2 VAL 15 1HG2 VAL 15 -8.024 -4.619 11.450 106 2HG2 VAL 15 3HG2 VAL 15 -7.199 -5.525 10.176 107 3HG2 VAL 15 2HG2 VAL 15 -6.319 -5.044 11.628 108 H LYS 16 HN LYS 16 -6.998 -1.593 7.959 109 HA LYS 16 HA LYS 16 -5.941 0.900 8.797 110 1HB LYS 16 2HB LYS 16 -5.405 0.186 6.619 111 2HB LYS 16 1HB LYS 16 -7.076 -0.238 6.247 112 1HG LYS 16 2HG LYS 16 -6.227 1.874 5.116 113 2HG LYS 16 1HG LYS 16 -7.705 2.076 6.056 114 1HD LYS 16 2HD LYS 16 -5.554 2.465 7.858 115 2HD LYS 16 1HD LYS 16 -5.154 3.377 6.403 116 1HE LYS 16 2HE LYS 16 -6.880 4.861 6.716 117 2HE LYS 16 1HE LYS 16 -7.974 3.605 7.327 118 1HZ LYS 16 3HZ LYS 16 -5.595 4.192 8.917 119 2HZ LYS 16 2HZ LYS 16 -6.814 5.376 8.922 120 3HZ LYS 16 1HZ LYS 16 -7.162 3.792 9.427 121 H LYS 17 HN LYS 17 -9.171 0.142 7.457 122 HA LYS 17 HA LYS 17 -10.212 2.815 8.055 123 1HB LYS 17 2HB LYS 17 -11.663 0.256 7.312 124 2HB LYS 17 1HB LYS 17 -12.221 1.909 7.053 125 1HG LYS 17 2HG LYS 17 -9.677 0.821 5.822 126 2HG LYS 17 1HG LYS 17 -11.239 0.758 5.006 127 1HD LYS 17 2HD LYS 17 -11.409 3.261 5.350 128 2HD LYS 17 1HD LYS 17 -9.738 3.228 5.912 129 1HE LYS 17 2HE LYS 17 -8.901 2.681 3.794 130 2HE LYS 17 1HE LYS 17 -10.437 1.968 3.265 131 1HZ LYS 17 1HZ LYS 17 -11.376 4.295 3.630 132 2HZ LYS 17 3HZ LYS 17 -9.767 4.830 3.651 133 3HZ LYS 17 2HZ LYS 17 -10.392 4.074 2.263 134 H LEU 18 HN LEU 18 -9.368 0.384 10.068 135 HA LEU 18 HA LEU 18 -11.660 -0.136 11.685 136 1HB LEU 18 2HB LEU 18 -9.490 -1.358 11.619 137 2HB LEU 18 1HB LEU 18 -8.707 0.032 12.365 138 HG LEU 18 HG LEU 18 -10.123 -0.212 14.353 139 1HD1 LEU 18 2HD1 LEU 18 -11.566 -2.020 12.542 140 2HD1 LEU 18 1HD1 LEU 18 -11.285 -2.711 14.140 141 3HD1 LEU 18 3HD1 LEU 18 -12.142 -1.178 13.982 142 1HD2 LEU 18 2HD2 LEU 18 -7.984 -1.476 14.213 143 2HD2 LEU 18 1HD2 LEU 18 -9.190 -2.344 15.163 144 3HD2 LEU 18 3HD2 LEU 18 -8.852 -2.842 13.507 145 H LYS 19 HN LYS 19 -9.542 2.649 11.446 146 HA LYS 19 HA LYS 19 -10.022 3.765 14.057 147 1HB LYS 19 2HB LYS 19 -8.194 4.374 12.468 148 2HB LYS 19 1HB LYS 19 -9.394 5.118 11.413 149 1HG LYS 19 2HG LYS 19 -10.050 6.629 13.289 150 2HG LYS 19 1HG LYS 19 -8.765 5.925 14.271 151 1HD LYS 19 2HD LYS 19 -7.122 6.619 12.500 152 2HD LYS 19 1HD LYS 19 -8.437 7.451 11.670 153 1HE LYS 19 2HE LYS 19 -8.243 8.122 14.537 154 2HE LYS 19 1HE LYS 19 -6.834 8.619 13.581 155 1HZ LYS 19 1HZ LYS 19 -8.439 9.497 11.909 156 2HZ LYS 19 3HZ LYS 19 -9.696 9.196 13.007 157 3HZ LYS 19 2HZ LYS 19 -8.485 10.323 13.394 158 H ASP 20 HN ASP 20 -11.782 3.927 10.990 159 HA ASP 20 HA ASP 20 -13.859 5.626 12.337 160 1HB ASP 20 2HB ASP 20 -12.624 6.626 10.414 161 2HB ASP 20 1HB ASP 20 -13.185 5.300 9.394 162 H LEU 21 HN LEU 21 -15.715 4.510 12.771 163 HA LEU 21 HA LEU 21 -16.203 1.875 11.551 164 1HB LEU 21 2HB LEU 21 -16.558 2.744 13.997 165 2HB LEU 21 1HB LEU 21 -18.069 3.393 13.363 166 HG LEU 21 HG LEU 21 -18.477 1.031 12.415 167 1HD1 LEU 21 1HD1 LEU 21 -15.975 0.677 13.957 168 2HD1 LEU 21 3HD1 LEU 21 -17.212 -0.546 14.243 169 3HD1 LEU 21 2HD1 LEU 21 -16.609 -0.267 12.609 170 1HD2 LEU 21 2HD2 LEU 21 -18.667 2.002 15.207 171 2HD2 LEU 21 1HD2 LEU 21 -19.929 1.391 14.139 172 3HD2 LEU 21 3HD2 LEU 21 -18.877 0.263 14.993 173 H GLN 22 HN GLN 22 -18.473 1.427 10.699 174 HA GLN 22 HA GLN 22 -20.189 1.869 9.140 175 1HB GLN 22 2HB GLN 22 -19.807 4.685 10.209 176 2HB GLN 22 1HB GLN 22 -21.255 4.051 9.427 177 1HG GLN 22 2HG GLN 22 -21.530 2.409 11.241 178 2HG GLN 22 1HG GLN 22 -20.068 3.014 12.021 179 1HE2 GLN 22 1HE2 GLN 22 -22.605 3.100 13.355 180 2HE2 GLN 22 2HE2 GLN 22 -23.065 4.724 13.529 181 H GLU 23 HN GLU 23 -17.796 1.632 7.911 182 HA GLU 23 HA GLU 23 -17.858 3.806 5.855 183 1HB GLU 23 2HB GLU 23 -15.504 2.620 7.350 184 2HB GLU 23 1HB GLU 23 -15.315 3.568 5.875 185 1HG GLU 23 2HG GLU 23 -17.077 4.985 7.631 186 2HG GLU 23 1HG GLU 23 -15.644 4.520 8.546 187 HA PRO 24 HA PRO 24 -17.809 0.629 2.834 188 1HB PRO 24 2HB PRO 24 -15.590 1.694 1.343 189 2HB PRO 24 1HB PRO 24 -17.313 1.861 0.998 190 1HG PRO 24 2HG PRO 24 -15.497 3.868 1.979 191 2HG PRO 24 1HG PRO 24 -17.212 4.044 1.602 192 1HD PRO 24 2HD PRO 24 -15.979 4.020 4.202 193 2HD PRO 24 1HD PRO 24 -17.713 4.142 3.825 194 H GLN 25 HN GLN 25 -16.952 -1.404 3.117 195 HA GLN 25 HA GLN 25 -14.612 -1.988 4.610 196 1HB GLN 25 2HB GLN 25 -16.110 -3.546 2.481 197 2HB GLN 25 1HB GLN 25 -14.936 -4.259 3.587 198 1HG GLN 25 2HG GLN 25 -16.305 -3.535 5.510 199 2HG GLN 25 1HG GLN 25 -17.478 -2.816 4.406 200 1HE2 GLN 25 1HE2 GLN 25 -18.258 -4.906 6.192 201 2HE2 GLN 25 2HE2 GLN 25 -18.612 -6.293 5.280 202 H GLU 26 HN GLU 26 -15.088 -1.611 1.117 203 HA GLU 26 HA GLU 26 -12.133 -1.358 0.797 204 1HB GLU 26 2HB GLU 26 -14.026 -3.283 -0.565 205 2HB GLU 26 1HB GLU 26 -12.486 -2.836 -1.300 206 1HG GLU 26 2HG GLU 26 -11.237 -3.753 0.499 207 2HG GLU 26 1HG GLU 26 -12.652 -3.832 1.547 208 HA PRO 27 HA PRO 27 -14.641 1.939 -1.332 209 1HB PRO 27 2HB PRO 27 -12.464 3.698 -0.666 210 2HB PRO 27 1HB PRO 27 -14.107 3.709 -0.023 211 1HG PRO 27 2HG PRO 27 -11.702 2.916 1.320 212 2HG PRO 27 1HG PRO 27 -13.349 2.897 1.954 213 1HD PRO 27 2HD PRO 27 -11.706 0.638 1.190 214 2HD PRO 27 1HD PRO 27 -13.348 0.619 1.873 215 H ARG 28 HN ARG 28 -14.236 2.620 -3.461 216 HA ARG 28 HA ARG 28 -12.332 1.340 -5.083 217 1HB ARG 28 2HB ARG 28 -13.656 4.059 -5.364 218 2HB ARG 28 1HB ARG 28 -12.910 3.163 -6.687 219 1HG ARG 28 2HG ARG 28 -14.479 1.261 -6.197 220 2HG ARG 28 1HG ARG 28 -15.288 2.296 -5.019 221 1HD ARG 28 2HD ARG 28 -14.972 2.933 -7.977 222 2HD ARG 28 1HD ARG 28 -16.465 2.381 -7.196 223 HE ARG 28 HE ARG 28 -15.443 4.619 -5.740 224 1HH1 ARG 28 1HH1 ARG 28 -17.791 3.673 -7.927 225 2HH1 ARG 28 2HH1 ARG 28 -18.116 5.260 -8.541 226 1HH2 ARG 28 1HH2 ARG 28 -15.448 6.736 -6.890 227 2HH2 ARG 28 2HH2 ARG 28 -16.791 6.993 -7.953 228 H VAL 29 HN VAL 29 -10.255 1.950 -5.846 229 HA VAL 29 HA VAL 29 -8.114 2.937 -5.686 230 HB VAL 29 HB VAL 29 -10.192 5.022 -5.606 231 1HG1 VAL 29 3HG1 VAL 29 -7.396 5.623 -4.592 232 2HG1 VAL 29 2HG1 VAL 29 -8.569 6.846 -5.081 233 3HG1 VAL 29 1HG1 VAL 29 -8.899 5.814 -3.691 234 1HG2 VAL 29 3HG2 VAL 29 -8.428 3.997 -7.438 235 2HG2 VAL 29 2HG2 VAL 29 -9.257 5.543 -7.612 236 3HG2 VAL 29 1HG2 VAL 29 -7.617 5.491 -6.967 237 H GLY 30 HN GLY 30 -6.603 4.004 -4.059 238 1HA GLY 30 1HA GLY 30 -7.563 4.089 -1.277 239 2HA GLY 30 2HA GLY 30 -5.937 4.496 -1.824 240 H LYS 31 HN LYS 31 -6.215 1.785 -3.405 241 HA LYS 31 HA LYS 31 -6.371 -0.409 -1.666 242 1HB LYS 31 2HB LYS 31 -4.553 0.171 -4.024 243 2HB LYS 31 1HB LYS 31 -4.766 -1.436 -3.327 244 1HG LYS 31 2HG LYS 31 -7.230 -1.227 -3.736 245 2HG LYS 31 1HG LYS 31 -6.925 0.303 -4.559 246 1HD LYS 31 2HD LYS 31 -5.404 -0.899 -6.136 247 2HD LYS 31 1HD LYS 31 -5.845 -2.418 -5.356 248 1HE LYS 31 2HE LYS 31 -7.938 -2.449 -6.320 249 2HE LYS 31 1HE LYS 31 -8.100 -0.683 -6.261 250 1HZ LYS 31 3HZ LYS 31 -6.240 -0.639 -7.944 251 2HZ LYS 31 2HZ LYS 31 -6.472 -2.311 -8.136 252 3HZ LYS 31 1HZ LYS 31 -7.723 -1.228 -8.518 253 H LEU 32 HN LEU 32 -3.806 1.978 -1.994 254 HA LEU 32 HA LEU 32 -1.648 0.636 -0.762 255 1HB LEU 32 2HB LEU 32 -2.531 3.533 -0.565 256 2HB LEU 32 1HB LEU 32 -0.903 2.942 -0.232 257 HG LEU 32 HG LEU 32 -2.371 2.804 -2.883 258 1HD1 LEU 32 1HD1 LEU 32 -1.212 4.977 -1.983 259 2HD1 LEU 32 3HD1 LEU 32 0.282 4.120 -2.357 260 3HD1 LEU 32 2HD1 LEU 32 -0.887 4.452 -3.635 261 1HD2 LEU 32 3HD2 LEU 32 -0.146 1.251 -1.791 262 2HD2 LEU 32 2HD2 LEU 32 -1.078 0.989 -3.265 263 3HD2 LEU 32 1HD2 LEU 32 0.292 2.099 -3.275 264 H ARG 33 HN ARG 33 -4.357 2.401 0.719 265 HA ARG 33 HA ARG 33 -4.929 2.645 3.023 266 1HB ARG 33 2HB ARG 33 -4.291 -0.304 2.655 267 2HB ARG 33 1HB ARG 33 -5.257 0.353 3.976 268 1HG ARG 33 2HG ARG 33 -6.798 1.350 2.240 269 2HG ARG 33 1HG ARG 33 -5.898 0.455 1.015 270 1HD ARG 33 2HD ARG 33 -6.401 -1.661 2.314 271 2HD ARG 33 1HD ARG 33 -7.484 -0.697 3.334 272 HE ARG 33 HE ARG 33 -8.992 -0.574 1.508 273 1HH1 ARG 33 1HH1 ARG 33 -6.316 -2.461 0.679 274 2HH1 ARG 33 2HH1 ARG 33 -6.568 -2.364 -1.030 275 1HH2 ARG 33 1HH2 ARG 33 -9.126 -0.036 -0.790 276 2HH2 ARG 33 2HH2 ARG 33 -8.158 -0.992 -1.863 277 H ASN 34 HN ASN 34 -2.742 3.837 3.341 278 HA ASN 34 HA ASN 34 -0.989 2.218 5.158 279 1HB ASN 34 2HB ASN 34 0.870 3.518 4.279 280 2HB ASN 34 1HB ASN 34 -0.044 2.873 2.916 281 1HD2 ASN 34 1HD2 ASN 34 -0.890 4.383 1.433 282 2HD2 ASN 34 2HD2 ASN 34 -0.876 6.064 1.671 283 H PHE 35 HN PHE 35 -3.243 3.611 6.178 284 HA PHE 35 HA PHE 35 -2.047 6.066 7.406 285 1HB PHE 35 2HB PHE 35 -4.907 5.076 7.158 286 2HB PHE 35 1HB PHE 35 -4.428 6.615 7.872 287 HD1 PHE 35 HD1 PHE 35 -3.468 8.410 6.474 288 HD2 PHE 35 HD2 PHE 35 -4.819 4.709 4.762 289 HE1 PHE 35 HE1 PHE 35 -3.422 9.438 4.218 290 HE2 PHE 35 HE2 PHE 35 -4.774 5.737 2.506 291 HZ PHE 35 HZ PHE 35 -4.075 8.101 2.233 292 H ALA 36 HN ALA 36 -1.267 5.747 9.447 293 HA ALA 36 HA ALA 36 -1.814 3.348 10.976 294 1HB ALA 36 2HB ALA 36 -0.518 5.991 11.708 295 2HB ALA 36 3HB ALA 36 0.311 4.605 10.999 296 3HB ALA 36 1HB ALA 36 -0.366 4.492 12.624 297 HA PRO 37 HA PRO 37 -5.659 4.976 12.663 298 1HB PRO 37 2HB PRO 37 -5.748 2.634 14.329 299 2HB PRO 37 1HB PRO 37 -6.698 2.974 12.881 300 1HG PRO 37 2HG PRO 37 -4.577 1.074 13.179 301 2HG PRO 37 1HG PRO 37 -5.493 1.448 11.717 302 1HD PRO 37 2HD PRO 37 -2.743 2.138 12.335 303 2HD PRO 37 1HD PRO 37 -3.643 2.441 10.830 304 H ILE 38 HN ILE 38 -2.645 4.440 14.112 305 HA ILE 38 HA ILE 38 -1.699 5.415 16.054 306 HB ILE 38 HB ILE 38 -4.471 6.442 16.680 307 1HG1 ILE 38 2HG1 ILE 38 -2.986 8.347 15.156 308 2HG1 ILE 38 1HG1 ILE 38 -3.028 6.842 14.238 309 1HG2 ILE 38 1HG2 ILE 38 -2.367 6.744 18.170 310 2HG2 ILE 38 3HG2 ILE 38 -1.827 7.869 16.924 311 3HG2 ILE 38 2HG2 ILE 38 -3.329 8.175 17.797 312 1HD1 ILE 38 1HD1 ILE 38 -5.574 7.689 15.529 313 2HD1 ILE 38 3HD1 ILE 38 -5.029 8.647 14.152 314 3HD1 ILE 38 2HD1 ILE 38 -5.309 6.915 13.966 315 HA PRO 39 HA PRO 39 -3.572 1.717 18.180 316 1HB PRO 39 2HB PRO 39 -0.857 1.026 18.834 317 2HB PRO 39 1HB PRO 39 -1.956 0.189 17.733 318 1HG PRO 39 2HG PRO 39 0.349 1.765 17.064 319 2HG PRO 39 1HG PRO 39 -0.757 0.940 15.963 320 1HD PRO 39 2HD PRO 39 -0.508 3.781 16.431 321 2HD PRO 39 1HD PRO 39 -1.611 2.949 15.309 322 H GLY 40 HN GLY 40 -3.544 1.318 20.513 323 1HA GLY 40 1HA GLY 40 -2.193 3.471 22.088 324 2HA GLY 40 2HA GLY 40 -2.477 1.849 22.714 325 H GLU 41 HN GLU 41 -5.127 1.484 21.832 326 HA GLU 41 HA GLU 41 -6.571 3.610 23.383 327 1HB GLU 41 2HB GLU 41 -7.024 2.289 20.760 328 2HB GLU 41 1HB GLU 41 -8.461 2.563 21.744 329 1HG GLU 41 2HG GLU 41 -8.433 4.756 21.228 330 2HG GLU 41 1HG GLU 41 -6.787 4.902 21.843 331 HA PRO 42 HA PRO 42 -8.324 0.609 26.044 332 1HB PRO 42 2HB PRO 42 -11.081 1.217 25.494 333 2HB PRO 42 1HB PRO 42 -10.093 1.767 26.849 334 1HG PRO 42 2HG PRO 42 -11.026 3.306 24.616 335 2HG PRO 42 1HG PRO 42 -10.018 3.850 25.959 336 1HD PRO 42 2HD PRO 42 -9.235 3.403 23.209 337 2HD PRO 42 1HD PRO 42 -8.228 3.988 24.554 338 H VAL 43 HN VAL 43 -9.401 -1.456 26.073 339 HA VAL 43 HA VAL 43 -9.734 -3.552 24.980 340 HB VAL 43 HB VAL 43 -11.936 -2.594 25.469 341 1HG1 VAL 43 3HG1 VAL 43 -11.496 -1.192 22.829 342 2HG1 VAL 43 2HG1 VAL 43 -13.111 -1.426 23.489 343 3HG1 VAL 43 1HG1 VAL 43 -11.918 -0.484 24.385 344 1HG2 VAL 43 1HG2 VAL 43 -11.388 -4.562 23.584 345 2HG2 VAL 43 3HG2 VAL 43 -12.956 -4.259 24.331 346 3HG2 VAL 43 2HG2 VAL 43 -12.567 -3.531 22.773 347 H VAL 44 HN VAL 44 -7.787 -3.505 23.552 348 HA VAL 44 HA VAL 44 -6.740 -3.470 21.413 349 HB VAL 44 HB VAL 44 -9.227 -4.163 20.039 350 1HG1 VAL 44 3HG1 VAL 44 -6.516 -5.148 20.440 351 2HG1 VAL 44 2HG1 VAL 44 -7.692 -6.460 20.512 352 3HG1 VAL 44 1HG1 VAL 44 -7.608 -5.432 19.085 353 1HG2 VAL 44 1HG2 VAL 44 -8.707 -5.331 22.768 354 2HG2 VAL 44 3HG2 VAL 44 -10.230 -4.751 22.091 355 3HG2 VAL 44 2HG2 VAL 44 -9.529 -6.265 21.521 356 HA PRO 45 HA PRO 45 -7.653 0.018 18.803 357 1HB PRO 45 2HB PRO 45 -9.298 -1.027 16.682 358 2HB PRO 45 1HB PRO 45 -7.583 -0.612 16.630 359 1HG PRO 45 2HG PRO 45 -8.783 -3.233 16.655 360 2HG PRO 45 1HG PRO 45 -7.072 -2.819 16.544 361 1HD PRO 45 2HD PRO 45 -8.450 -3.981 18.760 362 2HD PRO 45 1HD PRO 45 -6.746 -3.481 18.708 363 H ILE 46 HN ILE 46 -9.145 1.660 19.061 364 HA ILE 46 HA ILE 46 -11.397 1.567 20.615 365 HB ILE 46 HB ILE 46 -12.146 3.534 19.021 366 1HG1 ILE 46 2HG1 ILE 46 -9.288 3.242 18.108 367 2HG1 ILE 46 1HG1 ILE 46 -10.602 2.501 17.196 368 1HG2 ILE 46 3HG2 ILE 46 -10.064 3.220 21.022 369 2HG2 ILE 46 2HG2 ILE 46 -9.662 4.510 19.886 370 3HG2 ILE 46 1HG2 ILE 46 -11.182 4.563 20.779 371 1HD1 ILE 46 1HD1 ILE 46 -11.692 4.896 17.416 372 2HD1 ILE 46 3HD1 ILE 46 -10.023 5.405 17.667 373 3HD1 ILE 46 2HD1 ILE 46 -10.481 4.587 16.173 374 H LEU 47 HN LEU 47 -11.337 0.887 17.110 375 HA LEU 47 HA LEU 47 -14.247 0.290 17.178 376 1HB LEU 47 2HB LEU 47 -12.144 0.585 15.027 377 2HB LEU 47 1HB LEU 47 -13.795 0.079 14.671 378 HG LEU 47 HG LEU 47 -14.465 2.199 16.056 379 1HD1 LEU 47 2HD1 LEU 47 -11.537 2.570 15.527 380 2HD1 LEU 47 1HD1 LEU 47 -12.596 3.979 15.482 381 3HD1 LEU 47 3HD1 LEU 47 -12.479 3.011 16.951 382 1HD2 LEU 47 1HD2 LEU 47 -14.441 1.689 13.439 383 2HD2 LEU 47 3HD2 LEU 47 -14.805 3.301 14.052 384 3HD2 LEU 47 2HD2 LEU 47 -13.190 2.932 13.453 385 H CYS 48 HN CYS 48 -11.777 -1.443 18.188 386 HA CYS 48 HA CYS 48 -11.859 -3.837 16.552 387 1HB CYS 48 2HB CYS 48 -10.042 -3.112 18.151 388 2HB CYS 48 1HB CYS 48 -11.128 -3.521 19.479 389 H SER 49 HN SER 49 -13.223 -3.108 19.796 390 HA SER 49 HA SER 49 -14.829 -5.464 19.989 391 1HB SER 49 2HB SER 49 -15.916 -4.218 21.784 392 2HB SER 49 1HB SER 49 -14.194 -3.831 21.807 393 HG SER 49 HG SER 49 -14.603 -1.861 21.150 394 H ASN 50 HN ASN 50 -15.232 -2.431 18.298 395 HA ASN 50 HA ASN 50 -17.989 -2.238 17.876 396 1HB ASN 50 2HB ASN 50 -15.517 -1.339 16.728 397 2HB ASN 50 1HB ASN 50 -16.617 -1.770 15.418 398 1HD2 ASN 50 1HD2 ASN 50 -15.937 0.951 15.866 399 2HD2 ASN 50 2HD2 ASN 50 -17.304 1.772 16.443 400 HA PRO 51 HA PRO 51 -18.891 -6.122 15.875 401 1HB PRO 51 2HB PRO 51 -21.399 -5.024 14.996 402 2HB PRO 51 1HB PRO 51 -21.107 -6.129 16.341 403 1HG PRO 51 2HG PRO 51 -21.864 -3.383 16.488 404 2HG PRO 51 1HG PRO 51 -21.462 -4.455 17.831 405 1HD PRO 51 2HD PRO 51 -19.888 -2.263 16.724 406 2HD PRO 51 1HD PRO 51 -19.571 -3.230 18.184 407 H ASN 52 HN ASN 52 -18.195 -3.201 14.405 408 HA ASN 52 HA ASN 52 -18.795 -4.246 11.660 409 1HB ASN 52 2HB ASN 52 -18.303 -1.438 12.696 410 2HB ASN 52 1HB ASN 52 -18.709 -1.851 11.031 411 1HD2 ASN 52 1HD2 ASN 52 -20.562 -4.063 12.067 412 2HD2 ASN 52 2HD2 ASN 52 -21.953 -3.241 12.583 413 H PHE 53 HN PHE 53 -16.297 -4.241 13.754 414 HA PHE 53 HA PHE 53 -14.166 -3.156 12.052 415 1HB PHE 53 2HB PHE 53 -12.814 -3.635 13.905 416 2HB PHE 53 1HB PHE 53 -14.393 -3.440 14.667 417 HD1 PHE 53 HD1 PHE 53 -15.860 -5.798 14.381 418 HD2 PHE 53 HD2 PHE 53 -11.595 -5.426 14.759 419 HE1 PHE 53 HE1 PHE 53 -15.735 -8.115 15.247 420 HE2 PHE 53 HE2 PHE 53 -11.471 -7.752 15.628 421 HZ PHE 53 HZ PHE 53 -13.544 -9.090 15.869 422 HA PRO 54 HA PRO 54 -12.903 -6.753 9.853 423 1HB PRO 54 2HB PRO 54 -10.474 -7.389 11.268 424 2HB PRO 54 1HB PRO 54 -10.644 -6.548 9.726 425 1HG PRO 54 2HG PRO 54 -9.880 -5.437 12.255 426 2HG PRO 54 1HG PRO 54 -10.090 -4.587 10.723 427 1HD PRO 54 2HD PRO 54 -11.785 -4.498 13.063 428 2HD PRO 54 1HD PRO 54 -11.979 -3.601 11.539 429 H GLU 55 HN GLU 55 -14.778 -7.683 11.180 430 HA GLU 55 HA GLU 55 -14.785 -9.138 13.487 431 1HB GLU 55 2HB GLU 55 -16.633 -8.910 11.850 432 2HB GLU 55 1HB GLU 55 -15.829 -10.077 10.797 433 1HG GLU 55 2HG GLU 55 -15.943 -11.755 12.650 434 2HG GLU 55 1HG GLU 55 -16.863 -10.589 13.603 435 H GLU 56 HN GLU 56 -13.032 -10.008 10.554 436 HA GLU 56 HA GLU 56 -12.447 -12.728 11.075 437 1HB GLU 56 2HB GLU 56 -10.778 -10.487 9.885 438 2HB GLU 56 1HB GLU 56 -10.384 -12.200 9.733 439 1HG GLU 56 2HG GLU 56 -12.613 -12.574 8.669 440 2HG GLU 56 1HG GLU 56 -12.901 -10.836 8.731 441 H LEU 57 HN LEU 57 -11.383 -9.824 12.669 442 HA LEU 57 HA LEU 57 -9.163 -11.187 14.088 443 1HB LEU 57 2HB LEU 57 -10.265 -8.381 14.418 444 2HB LEU 57 1HB LEU 57 -8.660 -8.956 14.862 445 HG LEU 57 HG LEU 57 -9.741 -8.870 12.030 446 1HD1 LEU 57 1HD1 LEU 57 -9.071 -6.685 13.465 447 2HD1 LEU 57 3HD1 LEU 57 -7.465 -7.171 12.919 448 3HD1 LEU 57 2HD1 LEU 57 -8.731 -6.826 11.740 449 1HD2 LEU 57 2HD2 LEU 57 -7.672 -10.380 13.143 450 2HD2 LEU 57 1HD2 LEU 57 -7.899 -10.022 11.430 451 3HD2 LEU 57 3HD2 LEU 57 -6.858 -8.994 12.415 452 H LYS 58 HN LYS 58 -12.344 -11.428 14.399 453 HA LYS 58 HA LYS 58 -13.334 -10.631 16.823 454 1HB LYS 58 2HB LYS 58 -13.512 -13.040 15.120 455 2HB LYS 58 1HB LYS 58 -14.068 -13.267 16.779 456 1HG LYS 58 2HG LYS 58 -14.998 -10.744 15.635 457 2HG LYS 58 1HG LYS 58 -15.545 -12.139 14.707 458 1HD LYS 58 2HD LYS 58 -15.793 -12.743 17.501 459 2HD LYS 58 1HD LYS 58 -16.561 -11.186 17.190 460 1HE LYS 58 2HE LYS 58 -17.644 -12.395 15.138 461 2HE LYS 58 1HE LYS 58 -17.214 -13.882 16.005 462 1HZ LYS 58 1HZ LYS 58 -18.602 -11.593 17.292 463 2HZ LYS 58 3HZ LYS 58 -19.441 -12.892 16.597 464 3HZ LYS 58 2HZ LYS 58 -18.397 -13.163 17.909 465 HA PRO 59 HA PRO 59 -11.004 -14.304 19.064 466 1HB PRO 59 2HB PRO 59 -8.568 -14.638 17.561 467 2HB PRO 59 1HB PRO 59 -9.828 -15.834 17.878 468 1HG PRO 59 2HG PRO 59 -9.257 -14.435 15.410 469 2HG PRO 59 1HG PRO 59 -10.442 -15.713 15.697 470 1HD PRO 59 2HD PRO 59 -10.977 -12.959 15.207 471 2HD PRO 59 1HD PRO 59 -12.154 -14.199 15.689 472 H LEU 60 HN LEU 60 -8.982 -11.957 17.222 473 HA LEU 60 HA LEU 60 -7.091 -11.411 19.256 474 1HB LEU 60 2HB LEU 60 -8.259 -9.964 16.902 475 2HB LEU 60 1HB LEU 60 -7.161 -9.097 17.974 476 HG LEU 60 HG LEU 60 -5.505 -10.961 17.684 477 1HD1 LEU 60 1HD1 LEU 60 -7.504 -11.862 15.586 478 2HD1 LEU 60 3HD1 LEU 60 -5.887 -12.532 15.802 479 3HD1 LEU 60 2HD1 LEU 60 -7.098 -12.728 17.068 480 1HD2 LEU 60 3HD2 LEU 60 -6.476 -9.540 15.186 481 2HD2 LEU 60 2HD2 LEU 60 -5.271 -8.952 16.332 482 3HD2 LEU 60 1HD2 LEU 60 -4.916 -10.354 15.322 483 H CYS 61 HN CYS 61 -10.297 -9.933 18.658 484 HA CYS 61 HA CYS 61 -10.103 -7.955 20.736 485 1HB CYS 61 2HB CYS 61 -12.363 -9.338 19.272 486 2HB CYS 61 1HB CYS 61 -12.653 -8.050 20.442 487 H LYS 62 HN LYS 62 -10.899 -11.371 20.738 488 HA LYS 62 HA LYS 62 -11.906 -11.229 23.535 489 1HB LYS 62 2HB LYS 62 -11.719 -13.451 21.474 490 2HB LYS 62 1HB LYS 62 -12.478 -13.614 23.059 491 1HG LYS 62 2HG LYS 62 -14.029 -11.751 22.464 492 2HG LYS 62 1HG LYS 62 -13.311 -11.704 20.853 493 1HD LYS 62 2HD LYS 62 -13.946 -14.104 20.549 494 2HD LYS 62 1HD LYS 62 -14.764 -14.051 22.112 495 1HE LYS 62 2HE LYS 62 -15.944 -11.915 21.016 496 2HE LYS 62 1HE LYS 62 -15.552 -12.781 19.518 497 1HZ LYS 62 2HZ LYS 62 -16.389 -14.803 20.983 498 2HZ LYS 62 1HZ LYS 62 -17.296 -13.578 21.733 499 3HZ LYS 62 3HZ LYS 62 -17.468 -13.861 20.070 500 H GLU 63 HN GLU 63 -8.940 -11.441 22.063 501 HA GLU 63 HA GLU 63 -7.865 -13.371 24.086 502 1HB GLU 63 2HB GLU 63 -6.219 -13.878 22.511 503 2HB GLU 63 1HB GLU 63 -7.582 -13.488 21.464 504 1HG GLU 63 2HG GLU 63 -6.740 -11.174 21.241 505 2HG GLU 63 1HG GLU 63 -5.373 -11.575 22.279 506 HA PRO 64 HA PRO 64 -6.171 -9.992 26.358 507 1HB PRO 64 2HB PRO 64 -3.981 -11.628 27.249 508 2HB PRO 64 1HB PRO 64 -5.446 -11.193 28.133 509 1HG PRO 64 2HG PRO 64 -4.748 -13.749 27.035 510 2HG PRO 64 1HG PRO 64 -6.223 -13.308 27.898 511 1HD PRO 64 2HD PRO 64 -5.908 -13.858 25.075 512 2HD PRO 64 1HD PRO 64 -7.401 -13.447 25.951 513 H ASN 65 HN ASN 65 -4.330 -11.831 24.017 514 HA ASN 65 HA ASN 65 -1.975 -10.105 24.074 515 1HB ASN 65 2HB ASN 65 -2.991 -12.107 22.031 516 2HB ASN 65 1HB ASN 65 -1.344 -11.486 22.136 517 1HD2 ASN 65 1HD2 ASN 65 -2.630 -14.298 22.630 518 2HD2 ASN 65 2HD2 ASN 65 -1.970 -14.765 24.122 519 H ALA 66 HN ALA 66 -5.111 -9.801 22.718 520 HA ALA 66 HA ALA 66 -4.767 -8.565 20.239 521 1HB ALA 66 2HB ALA 66 -6.753 -8.886 22.171 522 2HB ALA 66 3HB ALA 66 -6.965 -8.138 20.589 523 3HB ALA 66 1HB ALA 66 -6.616 -7.137 21.998 524 H GLN 67 HN GLN 67 -4.084 -7.269 23.460 525 HA GLN 67 HA GLN 67 -3.763 -4.515 22.774 526 1HB GLN 67 2HB GLN 67 -2.499 -6.318 24.859 527 2HB GLN 67 1HB GLN 67 -2.325 -4.563 24.862 528 1HG GLN 67 2HG GLN 67 -4.791 -4.333 24.955 529 2HG GLN 67 1HG GLN 67 -4.946 -6.089 24.988 530 1HE2 GLN 67 1HE2 GLN 67 -5.887 -4.412 27.147 531 2HE2 GLN 67 2HE2 GLN 67 -4.947 -4.753 28.518 532 H GLU 68 HN GLU 68 -1.519 -7.275 22.641 533 HA GLU 68 HA GLU 68 0.744 -5.620 21.779 534 1HB GLU 68 2HB GLU 68 0.208 -8.607 21.901 535 2HB GLU 68 1HB GLU 68 1.776 -7.899 21.509 536 1HG GLU 68 2HG GLU 68 1.759 -6.715 23.697 537 2HG GLU 68 1HG GLU 68 0.229 -7.501 24.089 538 H ILE 69 HN ILE 69 -1.555 -7.897 20.281 539 HA ILE 69 HA ILE 69 -0.447 -7.779 17.624 540 HB ILE 69 HB ILE 69 -3.227 -8.380 18.692 541 1HG1 ILE 69 2HG1 ILE 69 -0.924 -10.195 17.919 542 2HG1 ILE 69 1HG1 ILE 69 -1.448 -9.850 19.567 543 1HG2 ILE 69 3HG2 ILE 69 -1.977 -8.686 15.961 544 2HG2 ILE 69 2HG2 ILE 69 -3.314 -9.717 16.476 545 3HG2 ILE 69 1HG2 ILE 69 -3.533 -7.969 16.383 546 1HD1 ILE 69 3HD1 ILE 69 -3.758 -10.705 18.848 547 2HD1 ILE 69 2HD1 ILE 69 -2.962 -11.325 17.402 548 3HD1 ILE 69 1HD1 ILE 69 -2.488 -11.920 18.993 549 H LEU 70 HN LEU 70 -3.225 -6.109 19.143 550 HA LEU 70 HA LEU 70 -4.222 -4.564 17.097 551 1HB LEU 70 2HB LEU 70 -5.101 -4.468 19.330 552 2HB LEU 70 1HB LEU 70 -3.568 -3.894 19.978 553 HG LEU 70 HG LEU 70 -5.543 -2.197 19.533 554 1HD1 LEU 70 3HD1 LEU 70 -2.918 -1.923 20.027 555 2HD1 LEU 70 2HD1 LEU 70 -2.962 -1.229 18.407 556 3HD1 LEU 70 1HD1 LEU 70 -3.959 -0.540 19.688 557 1HD2 LEU 70 2HD2 LEU 70 -5.293 -3.140 16.986 558 2HD2 LEU 70 1HD2 LEU 70 -5.928 -1.545 17.385 559 3HD2 LEU 70 3HD2 LEU 70 -4.238 -1.730 16.923 560 H GLN 71 HN GLN 71 -1.688 -3.231 19.259 561 HA GLN 71 HA GLN 71 -0.920 -1.018 17.778 562 1HB GLN 71 2HB GLN 71 0.797 -3.011 19.285 563 2HB GLN 71 1HB GLN 71 1.318 -1.385 18.842 564 1HG GLN 71 2HG GLN 71 -0.573 -0.441 20.139 565 2HG GLN 71 1HG GLN 71 -1.056 -2.071 20.607 566 1HE2 GLN 71 1HE2 GLN 71 -0.367 -0.256 22.642 567 2HE2 GLN 71 2HE2 GLN 71 1.123 -0.703 23.323 568 H ARG 72 HN ARG 72 0.479 -4.280 17.425 569 HA ARG 72 HA ARG 72 2.155 -3.676 15.186 570 1HB ARG 72 2HB ARG 72 0.841 -6.235 16.158 571 2HB ARG 72 1HB ARG 72 2.129 -6.182 14.954 572 1HG ARG 72 2HG ARG 72 3.568 -4.990 16.622 573 2HG ARG 72 1HG ARG 72 2.294 -5.206 17.822 574 1HD ARG 72 2HD ARG 72 2.445 -7.693 17.445 575 2HD ARG 72 1HD ARG 72 3.846 -7.399 16.399 576 HE ARG 72 HE ARG 72 3.935 -6.167 19.092 577 1HH1 ARG 72 1HH1 ARG 72 4.025 -9.298 18.896 578 2HH1 ARG 72 2HH1 ARG 72 5.738 -9.543 18.993 579 1HH2 ARG 72 1HH2 ARG 72 6.517 -6.219 18.391 580 2HH2 ARG 72 2HH2 ARG 72 7.146 -7.801 18.708 581 H LEU 73 HN LEU 73 -1.078 -5.230 15.296 582 HA LEU 73 HA LEU 73 -1.559 -5.658 12.592 583 1HB LEU 73 2HB LEU 73 -3.010 -6.028 14.698 584 2HB LEU 73 1HB LEU 73 -3.574 -4.376 14.449 585 HG LEU 73 HG LEU 73 -4.420 -4.928 12.252 586 1HD1 LEU 73 2HD1 LEU 73 -2.661 -7.274 12.627 587 2HD1 LEU 73 1HD1 LEU 73 -4.208 -7.624 11.857 588 3HD1 LEU 73 3HD1 LEU 73 -3.118 -6.436 11.143 589 1HD2 LEU 73 3HD2 LEU 73 -5.244 -6.339 14.646 590 2HD2 LEU 73 2HD2 LEU 73 -6.241 -5.665 13.358 591 3HD2 LEU 73 1HD2 LEU 73 -5.596 -7.299 13.209 592 H GLU 74 HN GLU 74 -2.500 -2.643 14.309 593 HA GLU 74 HA GLU 74 -3.214 -1.085 12.091 594 1HB GLU 74 2HB GLU 74 -1.646 -0.170 14.522 595 2HB GLU 74 1HB GLU 74 -2.774 0.792 13.568 596 1HG GLU 74 2HG GLU 74 -4.551 -0.943 14.198 597 2HG GLU 74 1HG GLU 74 -3.394 -1.538 15.388 598 H GLU 75 HN GLU 75 0.045 -1.369 13.576 599 HA GLU 75 HA GLU 75 1.481 0.345 11.889 600 1HB GLU 75 2HB GLU 75 2.264 -0.884 13.930 601 2HB GLU 75 1HB GLU 75 2.337 -2.360 12.968 602 1HG GLU 75 2HG GLU 75 3.929 -1.225 11.417 603 2HG GLU 75 1HG GLU 75 3.908 0.188 12.473 604 H ILE 76 HN ILE 76 1.042 -3.191 11.419 605 HA ILE 76 HA ILE 76 2.273 -3.363 8.868 606 HB ILE 76 HB ILE 76 -0.078 -4.903 10.023 607 1HG1 ILE 76 2HG1 ILE 76 1.722 -4.954 11.606 608 2HG1 ILE 76 1HG1 ILE 76 1.793 -6.481 10.726 609 1HG2 ILE 76 1HG2 ILE 76 0.785 -5.083 7.485 610 2HG2 ILE 76 3HG2 ILE 76 1.977 -6.136 8.247 611 3HG2 ILE 76 2HG2 ILE 76 0.258 -6.499 8.395 612 1HD1 ILE 76 1HD1 ILE 76 3.476 -5.395 9.176 613 2HD1 ILE 76 3HD1 ILE 76 3.514 -4.026 10.287 614 3HD1 ILE 76 2HD1 ILE 76 4.041 -5.619 10.832 615 H ALA 77 HN ALA 77 -1.069 -2.585 9.787 616 HA ALA 77 HA ALA 77 -2.285 -2.559 7.230 617 1HB ALA 77 3HB ALA 77 -2.856 -1.827 9.895 618 2HB ALA 77 1HB ALA 77 -3.997 -1.881 8.551 619 3HB ALA 77 2HB ALA 77 -3.157 -0.379 8.936 620 H GLU 78 HN GLU 78 -0.247 -0.165 8.848 621 HA GLU 78 HA GLU 78 -0.656 2.031 7.068 622 1HB GLU 78 2HB GLU 78 0.450 2.021 9.326 623 2HB GLU 78 1HB GLU 78 1.838 1.216 8.595 624 1HG GLU 78 2HG GLU 78 2.076 3.133 7.018 625 2HG GLU 78 1HG GLU 78 0.745 3.945 7.844 626 H ASP 79 HN ASP 79 1.726 -0.646 7.002 627 HA ASP 79 HA ASP 79 2.010 -0.255 4.076 628 1HB ASP 79 2HB ASP 79 4.413 0.062 4.241 629 2HB ASP 79 1HB ASP 79 3.636 1.249 5.288 630 HA PRO 80 HA PRO 80 2.411 -4.621 3.983 631 1HB PRO 80 2HB PRO 80 4.629 -4.598 2.153 632 2HB PRO 80 1HB PRO 80 2.922 -4.866 1.789 633 1HG PRO 80 2HG PRO 80 4.523 -2.549 1.189 634 2HG PRO 80 1HG PRO 80 2.828 -2.837 0.786 635 1HD PRO 80 2HD PRO 80 3.881 -1.010 2.743 636 2HD PRO 80 1HD PRO 80 2.171 -1.349 2.383 637 H GLY 81 HN GLY 81 5.674 -3.100 3.814 638 1HA GLY 81 1HA GLY 81 6.470 -4.249 6.349 639 2HA GLY 81 2HA GLY 81 7.535 -3.422 5.212 640 H THR 82 HN THR 82 7.671 -6.102 6.722 641 HA THR 82 HA THR 82 8.912 -7.599 4.525 642 HB THR 82 HB THR 82 9.481 -9.126 6.443 643 HG1 THR 82 1HG THR 82 7.413 -8.345 7.519 644 1HG2 THR 82 3HG2 THR 82 10.838 -7.096 5.841 645 2HG2 THR 82 2HG2 THR 82 9.942 -6.199 7.066 646 3HG2 THR 82 1HG2 THR 82 10.961 -7.558 7.539 647 H CYS 83 HN CYS 83 5.858 -7.588 6.185 648 HA CYS 83 HA CYS 83 5.035 -10.291 5.893 649 1HB CYS 83 2HB CYS 83 3.919 -8.357 7.112 650 2HB CYS 83 1HB CYS 83 3.335 -7.805 5.542 651 H GLU 84 HN GLU 84 4.703 -7.548 3.617 652 HA GLU 84 HA GLU 84 3.353 -8.958 1.544 653 1HB GLU 84 2HB GLU 84 3.615 -6.495 1.804 654 2HB GLU 84 1HB GLU 84 5.318 -6.654 1.375 655 1HG GLU 84 2HG GLU 84 4.602 -7.714 -0.790 656 2HG GLU 84 1HG GLU 84 2.932 -7.341 -0.366 657 H ILE 85 HN ILE 85 6.799 -8.809 2.372 658 HA ILE 85 HA ILE 85 7.487 -10.217 -0.159 659 HB ILE 85 HB ILE 85 9.722 -9.563 0.356 660 1HG1 ILE 85 2HG1 ILE 85 8.681 -9.190 3.171 661 2HG1 ILE 85 1HG1 ILE 85 9.929 -10.310 2.625 662 1HG2 ILE 85 2HG2 ILE 85 7.789 -7.455 1.360 663 2HG2 ILE 85 1HG2 ILE 85 9.476 -7.141 0.956 664 3HG2 ILE 85 3HG2 ILE 85 8.351 -7.665 -0.298 665 1HD1 ILE 85 2HD1 ILE 85 11.060 -8.042 1.779 666 2HD1 ILE 85 1HD1 ILE 85 10.085 -7.361 3.081 667 3HD1 ILE 85 3HD1 ILE 85 11.276 -8.615 3.433 668 H CYS 86 HN CYS 86 6.294 -11.180 2.714 669 HA CYS 86 HA CYS 86 6.259 -13.304 3.758 670 1HB CYS 86 2HB CYS 86 6.932 -13.678 1.103 671 2HB CYS 86 1HB CYS 86 8.251 -14.486 1.948 672 H ALA 87 HN ALA 87 8.799 -11.244 3.706 673 HA ALA 87 HA ALA 87 11.009 -12.811 4.672 674 1HB ALA 87 1HB ALA 87 10.146 -9.918 4.881 675 2HB ALA 87 3HB ALA 87 11.662 -10.486 5.581 676 3HB ALA 87 2HB ALA 87 11.393 -10.608 3.842 677 H TYR 88 HN TYR 88 8.049 -11.796 6.130 678 HA TYR 88 HA TYR 88 9.071 -12.668 8.815 679 1HB TYR 88 2HB TYR 88 8.227 -10.141 7.991 680 2HB TYR 88 1HB TYR 88 6.814 -10.806 8.811 681 HD1 TYR 88 HD1 TYR 88 10.518 -10.403 9.219 682 HD2 TYR 88 HD2 TYR 88 6.698 -10.760 11.150 683 HE1 TYR 88 HE1 TYR 88 11.586 -9.963 11.413 684 HE2 TYR 88 HE2 TYR 88 7.766 -10.321 13.345 685 HH TYR 88 HH TYR 88 10.290 -8.925 13.912 686 H ALA 89 HN ALA 89 7.415 -13.693 10.161 687 HA ALA 89 HA ALA 89 5.636 -15.447 8.694 688 1HB ALA 89 1HB ALA 89 6.565 -16.281 10.694 689 2HB ALA 89 2HB ALA 89 4.913 -15.893 11.168 690 3HB ALA 89 3HB ALA 89 6.229 -14.792 11.577 691 H ALA 90 HN ALA 90 5.330 -12.213 9.414 692 HA ALA 90 HA ALA 90 2.672 -11.946 10.418 693 1HB ALA 90 2HB ALA 90 4.581 -10.290 8.785 694 2HB ALA 90 1HB ALA 90 2.952 -9.696 9.101 695 3HB ALA 90 3HB ALA 90 4.040 -10.039 10.445 696 H CYS 91 HN CYS 91 3.909 -12.459 7.135 697 HA CYS 91 HA CYS 91 1.109 -12.337 6.085 698 1HB CYS 91 2HB CYS 91 3.783 -11.604 5.169 699 2HB CYS 91 1HB CYS 91 2.884 -12.522 3.962 700 H THR 92 HN THR 92 0.215 -14.382 6.082 701 HA THR 92 HA THR 92 1.974 -16.719 5.501 702 HB THR 92 HB THR 92 0.234 -17.975 6.583 703 HG1 THR 92 1HG THR 92 -1.675 -17.308 5.978 704 1HG2 THR 92 2HG2 THR 92 1.667 -16.520 8.030 705 2HG2 THR 92 1HG2 THR 92 0.410 -15.284 7.965 706 3HG2 THR 92 3HG2 THR 92 0.079 -16.840 8.729 707 H GLY 93 HN GLY 93 0.728 -18.492 4.185 708 1HA GLY 93 1HA GLY 93 -1.018 -17.338 2.087 709 2HA GLY 93 2HA GLY 93 -0.710 -19.057 2.340 710 H CYS 94 HN CYS 94 2.086 -17.111 2.492 711 HA CYS 94 HA CYS 94 2.869 -16.674 -0.157 712 1HB CYS 94 2HB CYS 94 4.082 -17.061 2.476 713 2HB CYS 94 1HB CYS 94 5.150 -17.571 1.170 No H/Q in entry = 713
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