NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9538 | 1o7b | 6392 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1HA GLY 1 2HA GLY 1 -10.632 2.369 7.748 2 2HA GLY 1 1HA GLY 1 -9.231 2.063 8.763 3 H1 GLY 1 2H GLY 1 -9.103 4.731 8.357 4 H2 GLY 1 1H GLY 1 -10.771 4.467 8.447 5 H3 GLY 1 3H GLY 1 -9.766 3.984 9.721 6 H VAL 2 H VAL 2 -7.549 1.421 7.607 7 HA VAL 2 HA VAL 2 -6.725 2.952 5.284 8 HB VAL 2 HB VAL 2 -4.897 2.459 6.638 9 1HG1 VAL 2 2HG1 VAL 2 -6.396 0.059 7.259 10 2HG1 VAL 2 1HG1 VAL 2 -4.684 -0.276 7.005 11 3HG1 VAL 2 3HG1 VAL 2 -5.180 0.910 8.212 12 1HG2 VAL 2 1HG2 VAL 2 -4.955 1.469 4.089 13 2HG2 VAL 2 3HG2 VAL 2 -3.511 1.619 5.091 14 3HG2 VAL 2 2HG2 VAL 2 -4.376 0.084 5.016 15 1HB TYR 3 2HB TYR 3 -9.145 0.482 0.815 16 2HB TYR 3 1HB TYR 3 -9.721 0.634 2.469 17 H TYR 3 H TYR 3 -6.879 2.320 3.213 18 HA TYR 3 HA TYR 3 -7.642 -0.457 2.651 19 HD1 TYR 3 HD1 TYR 3 -8.378 2.994 3.480 20 HD2 TYR 3 HD2 TYR 3 -9.963 2.260 -0.398 21 HE1 TYR 3 HE1 TYR 3 -8.689 5.412 3.157 22 HE2 TYR 3 HE2 TYR 3 -10.272 4.676 -0.735 23 HH TYR 3 HH TYR 3 -10.115 6.698 0.169 24 1HB HIS 4 2HB HIS 4 -4.272 -1.841 -0.884 25 2HB HIS 4 1HB HIS 4 -5.882 -2.455 -0.520 26 H HIS 4 H HIS 4 -7.457 -0.940 0.255 27 HA HIS 4 HA HIS 4 -4.971 0.281 -0.736 28 HD1 HIS 4 HD1 HIS 4 -7.438 -2.974 -2.561 29 HD2 HIS 4 HD2 HIS 4 -3.545 -1.917 -3.558 30 HE1 HIS 4 HE1 HIS 4 -7.161 -3.628 -4.973 31 HE2 HIS 4 HE2 HIS 4 -4.778 -3.034 -5.538 32 1HB ARG 5 2HB ARG 5 -6.181 3.462 -3.473 33 2HB ARG 5 1HB ARG 5 -7.121 3.321 -4.951 34 1HG ARG 5 2HG ARG 5 -8.030 2.231 -2.299 35 2HG ARG 5 1HG ARG 5 -8.434 3.846 -2.886 36 1HD ARG 5 2HD ARG 5 -9.121 2.333 -5.027 37 2HD ARG 5 1HD ARG 5 -9.467 1.217 -3.707 38 1HH1 ARG 5 2HH1 ARG 5 -10.835 0.546 -3.067 39 2HH1 ARG 5 1HH1 ARG 5 -12.476 0.648 -2.519 40 1HH2 ARG 5 2HH2 ARG 5 -12.795 4.063 -3.199 41 2HH2 ARG 5 1HH2 ARG 5 -13.589 2.648 -2.595 42 H ARG 5 H ARG 5 -4.852 1.140 -2.748 43 HA ARG 5 HA ARG 5 -7.084 0.811 -4.594 44 HE ARG 5 HE ARG 5 -10.635 3.918 -3.919 45 1HB GLU 6 2HB GLU 6 -4.202 0.490 -9.412 46 2HB GLU 6 1HB GLU 6 -5.280 -0.314 -8.282 47 1HG GLU 6 2HG GLU 6 -5.962 1.852 -10.247 48 2HG GLU 6 1HG GLU 6 -6.527 0.182 -10.233 49 H GLU 6 H GLU 6 -6.594 1.521 -6.763 50 HA GLU 6 HA GLU 6 -3.711 1.428 -7.304 51 H ALA 7 H ALA 7 -3.608 2.395 -9.837 52 HA ALA 7 HA ALA 7 -3.512 5.182 -9.430 53 1HB ALA 7 3HB ALA 7 -3.581 4.363 -12.229 54 2HB ALA 7 1HB ALA 7 -2.437 3.441 -11.253 55 3HB ALA 7 2HB ALA 7 -2.322 5.200 -11.321 56 1HB ARG 8 2HB ARG 8 -5.419 7.309 -13.520 57 2HB ARG 8 1HB ARG 8 -7.131 7.705 -13.599 58 1HG ARG 8 2HG ARG 8 -6.853 9.398 -11.895 59 2HG ARG 8 1HG ARG 8 -5.154 8.961 -11.707 60 1HD ARG 8 2HD ARG 8 -4.774 9.583 -14.071 61 2HD ARG 8 1HD ARG 8 -6.453 10.112 -14.172 62 1HH1 ARG 8 2HH1 ARG 8 -3.629 10.616 -14.805 63 2HH1 ARG 8 1HH1 ARG 8 -2.636 12.034 -14.742 64 1HH2 ARG 8 1HH2 ARG 8 -4.471 13.558 -12.186 65 2HH2 ARG 8 2HH2 ARG 8 -3.115 13.707 -13.254 66 H ARG 8 H ARG 8 -4.466 6.438 -11.621 67 HA ARG 8 HA ARG 8 -7.058 7.087 -11.031 68 HE ARG 8 HE ARG 8 -5.771 11.685 -12.277 69 1HB SER 9 2HB SER 9 -7.973 4.772 -15.093 70 2HB SER 9 1HB SER 9 -7.935 3.091 -15.627 71 H SER 9 H SER 9 -5.897 4.437 -12.984 72 HA SER 9 HA SER 9 -8.412 3.095 -12.820 73 HG SER 9 HG SER 9 -10.061 4.365 -15.364 74 1HA GLY 10 2HA GLY 10 -3.652 1.657 -14.533 75 2HA GLY 10 1HA GLY 10 -4.978 0.515 -14.485 76 H GLY 10 H GLY 10 -5.100 3.288 -13.650 77 1HB LYS 11 2HB LYS 11 -4.619 -2.386 -11.555 78 2HB LYS 11 1HB LYS 11 -3.123 -3.187 -12.015 79 1HG LYS 11 2HG LYS 11 -2.399 -2.956 -9.609 80 2HG LYS 11 1HG LYS 11 -4.056 -2.461 -9.253 81 1HD LYS 11 2HD LYS 11 -3.992 -4.868 -10.854 82 2HD LYS 11 1HD LYS 11 -3.073 -5.063 -9.360 83 1HE LYS 11 2HE LYS 11 -5.697 -3.741 -9.107 84 2HE LYS 11 1HE LYS 11 -5.729 -5.449 -9.542 85 H LYS 11 H LYS 11 -3.421 -0.936 -13.550 86 HA LYS 11 HA LYS 11 -3.113 -0.505 -10.656 87 1HZ LYS 11 2HZ LYS 11 -3.959 -5.467 -7.553 88 2HZ LYS 11 1HZ LYS 11 -4.946 -4.188 -7.052 89 3HZ LYS 11 3HZ LYS 11 -5.616 -5.716 -7.330 90 1HB TYR 12 2HB TYR 12 0.299 -3.420 -11.491 91 2HB TYR 12 1HB TYR 12 2.009 -3.008 -11.430 92 H TYR 12 H TYR 12 -1.212 -1.370 -9.642 93 HA TYR 12 HA TYR 12 1.065 -1.419 -9.452 94 HD1 TYR 12 HD1 TYR 12 0.598 -2.569 -8.229 95 HD2 TYR 12 HD2 TYR 12 1.986 -5.578 -10.897 96 HE1 TYR 12 HE1 TYR 12 0.906 -4.102 -6.331 97 HE2 TYR 12 HE2 TYR 12 2.294 -7.120 -9.009 98 HH TYR 12 HH TYR 12 2.204 -6.098 -5.768 99 1HB LYS 13 2HB LYS 13 1.665 2.634 -13.799 100 2HB LYS 13 1HB LYS 13 1.659 0.876 -13.825 101 1HG LYS 13 2HG LYS 13 -0.550 0.789 -13.619 102 2HG LYS 13 1HG LYS 13 -0.547 1.940 -12.281 103 1HD LYS 13 2HD LYS 13 -1.691 3.179 -13.811 104 2HD LYS 13 1HD LYS 13 -0.048 3.646 -14.253 105 1HE LYS 13 2HE LYS 13 -0.470 1.344 -15.710 106 2HE LYS 13 1HE LYS 13 -2.036 2.152 -15.765 107 H LYS 13 H LYS 13 0.804 0.939 -10.275 108 HA LYS 13 HA LYS 13 2.989 1.494 -11.965 109 1HZ LYS 13 3HZ LYS 13 -0.363 4.183 -16.258 110 2HZ LYS 13 2HZ LYS 13 0.471 2.906 -16.990 111 3HZ LYS 13 1HZ LYS 13 -1.114 3.259 -17.460 112 1HB LEU 14 2HB LEU 14 0.611 3.199 -7.705 113 2HB LEU 14 1HB LEU 14 0.841 4.874 -7.257 114 H LEU 14 H LEU 14 1.900 2.270 -9.407 115 HA LEU 14 HA LEU 14 1.374 5.132 -9.838 116 HG LEU 14 HG LEU 14 -1.135 3.822 -9.280 117 1HD1 LEU 14 1HD1 LEU 14 -1.241 4.132 -6.457 118 2HD1 LEU 14 3HD1 LEU 14 -2.310 5.330 -7.190 119 3HD1 LEU 14 2HD1 LEU 14 -2.518 3.618 -7.561 120 1HD2 LEU 14 1HD2 LEU 14 0.074 6.251 -9.404 121 2HD2 LEU 14 3HD2 LEU 14 -1.555 5.909 -9.988 122 3HD2 LEU 14 2HD2 LEU 14 -1.322 6.609 -8.387 123 H THR 15 H THR 15 2.493 6.676 -8.590 124 HA THR 15 HA THR 15 5.111 5.738 -7.629 125 HB THR 15 HB THR 15 5.957 7.969 -8.015 126 HG1 THR 15 HG1 THR 15 4.635 9.614 -8.099 127 1HG2 THR 15 1HG2 THR 15 5.302 6.240 -9.987 128 2HG2 THR 15 3HG2 THR 15 4.430 7.677 -10.521 129 3HG2 THR 15 2HG2 THR 15 6.172 7.751 -10.257 130 1HB TYR 16 2HB TYR 16 6.730 7.928 -3.711 131 2HB TYR 16 1HB TYR 16 6.518 9.563 -4.329 132 H TYR 16 H TYR 16 5.722 8.155 -6.219 133 HA TYR 16 HA TYR 16 4.299 7.586 -3.763 134 HD1 TYR 16 HD1 TYR 16 5.275 7.437 -1.514 135 HD2 TYR 16 HD2 TYR 16 6.565 11.284 -2.798 136 HE1 TYR 16 HE1 TYR 16 5.059 8.268 0.786 137 HE2 TYR 16 HE2 TYR 16 6.352 12.127 -0.497 138 HH TYR 16 HH TYR 16 4.885 11.389 1.607 139 H ALA 17 H ALA 17 4.971 10.508 -5.680 140 HA ALA 17 HA ALA 17 3.171 12.176 -4.292 141 1HB ALA 17 2HB ALA 17 5.042 12.964 -5.718 142 2HB ALA 17 1HB ALA 17 4.117 12.468 -7.137 143 3HB ALA 17 3HB ALA 17 3.503 13.744 -6.085 144 1HB GLU 18 2HB GLU 18 1.776 8.378 -8.301 145 2HB GLU 18 1HB GLU 18 0.133 8.581 -8.891 146 1HG GLU 18 2HG GLU 18 0.730 10.338 -10.305 147 2HG GLU 18 1HG GLU 18 2.257 10.612 -9.467 148 H GLU 18 H GLU 18 2.776 9.928 -6.919 149 HA GLU 18 HA GLU 18 0.209 10.890 -7.753 150 H ALA 19 H ALA 19 1.244 7.921 -6.084 151 HA ALA 19 HA ALA 19 -1.209 6.888 -5.412 152 1HB ALA 19 1HB ALA 19 0.276 5.386 -4.689 153 2HB ALA 19 2HB ALA 19 0.334 6.326 -3.198 154 3HB ALA 19 3HB ALA 19 1.525 6.614 -4.469 155 1HB LYS 20 2HB LYS 20 1.350 10.604 -1.965 156 2HB LYS 20 1HB LYS 20 0.482 11.936 -2.708 157 1HG LYS 20 2HG LYS 20 -0.106 12.813 -0.736 158 2HG LYS 20 1HG LYS 20 -0.478 11.236 -0.036 159 1HD LYS 20 2HD LYS 20 2.004 10.853 0.147 160 2HD LYS 20 1HD LYS 20 2.221 12.547 -0.297 161 1HE LYS 20 2HE LYS 20 1.843 13.182 1.795 162 2HE LYS 20 1HE LYS 20 0.282 12.364 1.792 163 H LYS 20 H LYS 20 0.629 9.399 -3.751 164 HA LYS 20 HA LYS 20 -0.991 9.628 -1.482 165 1HZ LYS 20 3HZ LYS 20 2.529 10.586 2.078 166 2HZ LYS 20 2HZ LYS 20 2.378 11.693 3.349 167 3HZ LYS 20 1HZ LYS 20 1.090 10.664 2.966 168 H ALA 21 H ALA 21 -0.950 11.486 -4.507 169 HA ALA 21 HA ALA 21 -3.088 13.195 -3.909 170 1HB ALA 21 1HB ALA 21 -3.251 13.531 -6.355 171 2HB ALA 21 2HB ALA 21 -2.124 12.193 -6.586 172 3HB ALA 21 3HB ALA 21 -1.598 13.656 -5.752 173 H VAL 22 H VAL 22 -3.030 10.056 -5.553 174 HA VAL 22 HA VAL 22 -5.703 9.852 -6.263 175 HB VAL 22 HB VAL 22 -3.502 7.954 -5.756 176 1HG1 VAL 22 3HG1 VAL 22 -5.246 6.963 -4.384 177 2HG1 VAL 22 2HG1 VAL 22 -6.369 7.033 -5.742 178 3HG1 VAL 22 1HG1 VAL 22 -4.948 5.989 -5.824 179 1HG2 VAL 22 2HG2 VAL 22 -3.989 8.849 -7.971 180 2HG2 VAL 22 1HG2 VAL 22 -4.198 7.098 -7.932 181 3HG2 VAL 22 3HG2 VAL 22 -5.610 8.155 -7.902 182 1HB CYS 23 2HB CYS 23 -3.682 9.312 -1.112 183 2HB CYS 23 1HB CYS 23 -4.896 9.230 0.159 184 H CYS 23 H CYS 23 -4.110 9.272 -3.198 185 HA CYS 23 HA CYS 23 -6.260 8.046 -1.846 186 1HB GLU 24 2HB GLU 24 -5.126 13.651 -1.989 187 2HB GLU 24 1HB GLU 24 -6.328 14.630 -1.163 188 1HG GLU 24 2HG GLU 24 -5.263 14.517 0.816 189 2HG GLU 24 1HG GLU 24 -4.717 12.861 0.552 190 H GLU 24 H GLU 24 -5.001 11.354 -1.604 191 HA GLU 24 HA GLU 24 -7.049 12.414 -0.041 192 1HB PHE 25 2HB PHE 25 -7.535 12.798 -5.727 193 2HB PHE 25 1HB PHE 25 -7.933 11.085 -5.646 194 H PHE 25 H PHE 25 -7.034 11.586 -3.377 195 HA PHE 25 HA PHE 25 -9.283 13.278 -4.057 196 HD1 PHE 25 HD1 PHE 25 -9.291 14.406 -6.555 197 HD2 PHE 25 HD2 PHE 25 -9.650 10.184 -6.951 198 HE1 PHE 25 HE1 PHE 25 -10.975 14.719 -8.322 199 HE2 PHE 25 HE2 PHE 25 -11.335 10.489 -8.718 200 HZ PHE 25 HZ PHE 25 -11.999 12.758 -9.406 201 1HB GLU 26 2HB GLU 26 -8.960 7.769 -2.788 202 2HB GLU 26 1HB GLU 26 -10.536 7.014 -2.617 203 1HG GLU 26 2HG GLU 26 -10.531 8.061 -5.191 204 2HG GLU 26 1HG GLU 26 -8.919 7.382 -4.970 205 H GLU 26 H GLU 26 -8.709 10.051 -2.961 206 HA GLU 26 HA GLU 26 -11.455 9.244 -3.567 207 1HA GLY 27 1HA GLY 27 -12.151 10.173 0.695 208 2HA GLY 27 2HA GLY 27 -11.118 11.594 0.787 209 H GLY 27 H GLY 27 -10.249 11.044 -1.292 210 1HA GLY 28 2HA GLY 28 -8.103 8.567 2.393 211 2HA GLY 28 1HA GLY 28 -8.206 9.942 3.485 212 H GLY 28 H GLY 28 -8.717 11.034 1.045 213 1HB HIS 29 2HB HIS 29 -2.822 10.383 3.907 214 2HB HIS 29 1HB HIS 29 -3.445 11.618 2.817 215 H HIS 29 H HIS 29 -5.846 8.661 3.355 216 HA HIS 29 HA HIS 29 -4.127 10.000 1.433 217 HD1 HIS 29 HD1 HIS 29 -4.478 9.595 5.837 218 HD2 HIS 29 HD2 HIS 29 -5.626 13.000 3.749 219 HE1 HIS 29 HE1 HIS 29 -6.242 10.691 7.255 220 HE2 HIS 29 HE2 HIS 29 -6.864 12.790 6.010 221 1HB LEU 30 2HB LEU 30 0.548 8.601 2.248 222 2HB LEU 30 1HB LEU 30 0.861 6.914 1.911 223 H LEU 30 H LEU 30 -1.766 9.328 1.846 224 HA LEU 30 HA LEU 30 -1.597 6.536 1.751 225 HG LEU 30 HG LEU 30 -0.326 8.964 0.051 226 1HD1 LEU 30 3HD1 LEU 30 2.176 8.806 0.386 227 2HD1 LEU 30 2HD1 LEU 30 2.079 7.201 -0.338 228 3HD1 LEU 30 1HD1 LEU 30 1.599 8.620 -1.271 229 1HD2 LEU 30 3HD2 LEU 30 -1.243 6.442 0.118 230 2HD2 LEU 30 2HD2 LEU 30 -1.087 7.383 -1.367 231 3HD2 LEU 30 1HD2 LEU 30 0.165 6.224 -0.921 232 H ALA 31 H ALA 31 -2.026 5.232 3.410 233 HA ALA 31 HA ALA 31 -1.965 5.939 6.115 234 1HB ALA 31 3HB ALA 31 -2.181 3.390 4.621 235 2HB ALA 31 2HB ALA 31 -1.781 3.306 6.337 236 3HB ALA 31 1HB ALA 31 -3.267 4.102 5.815 237 H THR 32 H THR 32 -0.657 3.932 7.443 238 HA THR 32 HA THR 32 2.185 4.345 6.805 239 HB THR 32 HB THR 32 2.703 5.229 8.806 240 HG1 THR 32 HG1 THR 32 0.915 4.400 10.583 241 1HG2 THR 32 1HG2 THR 32 -0.168 5.797 8.375 242 2HG2 THR 32 3HG2 THR 32 0.489 6.202 9.961 243 3HG2 THR 32 2HG2 THR 32 1.199 6.904 8.507 244 1HB TYR 33 2HB TYR 33 5.248 1.197 7.988 245 2HB TYR 33 1HB TYR 33 4.871 0.984 9.690 246 H TYR 33 H TYR 33 3.610 2.815 8.041 247 HA TYR 33 HA TYR 33 2.947 0.170 7.520 248 HD1 TYR 33 HD1 TYR 33 5.318 -0.855 6.500 249 HD2 TYR 33 HD2 TYR 33 5.160 -1.097 10.744 250 HE1 TYR 33 HE1 TYR 33 6.130 -3.173 6.392 251 HE2 TYR 33 HE2 TYR 33 5.973 -3.415 10.648 252 HH TYR 33 HH TYR 33 7.295 -4.786 7.847 253 1HB LYS 34 2HB LYS 34 2.062 2.733 12.422 254 2HB LYS 34 1HB LYS 34 0.950 1.885 13.485 255 1HG LYS 34 2HG LYS 34 2.732 0.718 14.548 256 2HG LYS 34 1HG LYS 34 3.896 1.301 13.358 257 1HD LYS 34 2HD LYS 34 3.691 3.547 14.155 258 2HD LYS 34 1HD LYS 34 2.343 3.106 15.203 259 1HE LYS 34 2HE LYS 34 3.724 1.905 16.666 260 2HE LYS 34 1HE LYS 34 5.045 1.837 15.500 261 H LYS 34 H LYS 34 2.998 1.840 10.653 262 HA LYS 34 HA LYS 34 2.105 -0.225 12.260 263 1HZ LYS 34 1HZ LYS 34 4.130 4.450 16.485 264 2HZ LYS 34 3HZ LYS 34 5.133 3.503 17.467 265 3HZ LYS 34 2HZ LYS 34 5.662 3.987 15.936 266 1HB GLN 35 2HB GLN 35 -1.606 2.566 8.675 267 2HB GLN 35 1HB GLN 35 -3.196 2.552 9.419 268 1HG GLN 35 2HG GLN 35 -2.212 3.860 11.319 269 2HG GLN 35 1HG GLN 35 -0.752 4.028 10.345 270 1HE2 GLN 35 1HE2 GLN 35 -3.246 5.719 11.310 271 2HE2 GLN 35 2HE2 GLN 35 -3.557 6.705 9.927 272 H GLN 35 H GLN 35 0.186 2.195 10.502 273 HA GLN 35 HA GLN 35 -2.340 1.324 11.333 274 1HB LEU 36 2HB LEU 36 0.688 -0.759 7.192 275 2HB LEU 36 1HB LEU 36 0.622 -2.502 7.354 276 H LEU 36 H LEU 36 -0.204 0.237 8.765 277 HA LEU 36 HA LEU 36 -2.043 -1.406 7.395 278 HG LEU 36 HG LEU 36 0.563 -1.389 4.987 279 1HD1 LEU 36 1HD1 LEU 36 0.363 -3.793 5.474 280 2HD1 LEU 36 3HD1 LEU 36 -1.371 -3.580 5.719 281 3HD1 LEU 36 2HD1 LEU 36 -0.661 -3.287 4.130 282 1HD2 LEU 36 1HD2 LEU 36 -1.582 -0.099 5.919 283 2HD2 LEU 36 3HD2 LEU 36 -1.378 -0.517 4.218 284 3HD2 LEU 36 2HD2 LEU 36 -2.377 -1.530 5.260 285 1HB GLU 37 2HB GLU 37 1.282 -3.301 11.747 286 2HB GLU 37 1HB GLU 37 -0.051 -2.664 12.694 287 1HG GLU 37 2HG GLU 37 0.683 -4.316 14.078 288 2HG GLU 37 1HG GLU 37 -0.540 -5.187 13.152 289 H GLU 37 H GLU 37 -0.088 -1.880 10.249 290 HA GLU 37 HA GLU 37 -0.344 -4.685 10.465 291 H ALA 38 H ALA 38 -2.059 -2.075 12.147 292 HA ALA 38 HA ALA 38 -3.940 -3.566 13.509 293 1HB ALA 38 1HB ALA 38 -3.594 -1.124 13.763 294 2HB ALA 38 2HB ALA 38 -5.293 -1.568 13.604 295 3HB ALA 38 3HB ALA 38 -4.428 -0.879 12.229 296 H ALA 39 H ALA 39 -3.773 -2.721 10.151 297 HA ALA 39 HA ALA 39 -6.471 -3.515 9.527 298 1HB ALA 39 1HB ALA 39 -4.150 -3.079 7.649 299 2HB ALA 39 2HB ALA 39 -5.231 -1.807 8.219 300 3HB ALA 39 3HB ALA 39 -5.862 -3.122 7.226 301 1HB ARG 40 2HB ARG 40 -1.630 -6.436 8.509 302 2HB ARG 40 1HB ARG 40 -1.799 -6.975 10.175 303 1HG ARG 40 2HG ARG 40 -2.203 -9.286 9.280 304 2HG ARG 40 1HG ARG 40 -1.746 -8.669 7.691 305 1HD ARG 40 2HD ARG 40 0.449 -8.449 8.252 306 2HD ARG 40 1HD ARG 40 0.096 -8.122 9.947 307 1HH1 ARG 40 2HH1 ARG 40 2.288 -8.842 9.161 308 2HH1 ARG 40 1HH1 ARG 40 3.359 -10.162 9.490 309 1HH2 ARG 40 2HH2 ARG 40 0.803 -12.492 9.998 310 2HH2 ARG 40 1HH2 ARG 40 2.515 -12.236 9.965 311 H ARG 40 H ARG 40 -3.312 -4.969 9.600 312 HA ARG 40 HA ARG 40 -3.941 -7.284 8.067 313 HE ARG 40 HE ARG 40 -0.601 -10.746 9.563 314 1HB LYS 41 2HB LYS 41 -5.130 -8.002 14.503 315 2HB LYS 41 1HB LYS 41 -4.144 -6.776 13.720 316 1HG LYS 41 2HG LYS 41 -5.952 -5.437 13.231 317 2HG LYS 41 1HG LYS 41 -7.098 -6.775 13.331 318 1HD LYS 41 2HD LYS 41 -7.494 -6.346 15.477 319 2HD LYS 41 1HD LYS 41 -5.770 -6.438 15.853 320 1HE LYS 41 2HE LYS 41 -6.704 -3.980 14.501 321 2HE LYS 41 1HE LYS 41 -7.230 -4.211 16.168 322 H LYS 41 H LYS 41 -4.129 -6.482 11.484 323 HA LYS 41 HA LYS 41 -4.515 -9.036 12.518 324 1HZ LYS 41 2HZ LYS 41 -4.465 -4.791 15.883 325 2HZ LYS 41 1HZ LYS 41 -4.804 -3.230 15.326 326 3HZ LYS 41 3HZ LYS 41 -5.224 -3.676 16.904 327 1HG1 ILE 42 2HG1 ILE 42 -8.772 -5.057 9.122 328 2HG1 ILE 42 1HG1 ILE 42 -8.013 -6.600 8.741 329 H ILE 42 H ILE 42 -6.692 -6.905 10.842 330 HA ILE 42 HA ILE 42 -9.036 -8.461 11.573 331 HB ILE 42 HB ILE 42 -10.345 -6.852 10.499 332 1HG2 ILE 42 1HG2 ILE 42 -8.812 -6.088 12.473 333 2HG2 ILE 42 3HG2 ILE 42 -8.084 -5.056 11.241 334 3HG2 ILE 42 2HG2 ILE 42 -9.804 -4.915 11.608 335 1HD1 ILE 42 2HD1 ILE 42 -10.947 -6.510 8.516 336 2HD1 ILE 42 1HD1 ILE 42 -10.036 -5.562 7.340 337 3HD1 ILE 42 3HD1 ILE 42 -9.746 -7.295 7.490 338 1HA GLY 43 1HA GLY 43 -8.239 -10.393 7.594 339 2HA GLY 43 2HA GLY 43 -6.487 -10.421 7.736 340 H GLY 43 H GLY 43 -6.639 -8.473 9.161 341 1HB PHE 44 2HB PHE 44 -6.779 -5.370 6.442 342 2HB PHE 44 1HB PHE 44 -5.033 -5.539 6.298 343 H PHE 44 H PHE 44 -5.863 -7.786 7.268 344 HA PHE 44 HA PHE 44 -7.028 -7.123 4.668 345 HD1 PHE 44 HD1 PHE 44 -7.604 -5.515 3.621 346 HD2 PHE 44 HD2 PHE 44 -4.338 -3.493 5.451 347 HE1 PHE 44 HE1 PHE 44 -7.608 -3.865 1.795 348 HE2 PHE 44 HE2 PHE 44 -4.336 -1.840 3.631 349 HZ PHE 44 HZ PHE 44 -5.972 -2.024 1.799 350 1HB HIS 45 2HB HIS 45 -3.176 -10.831 3.530 351 2HB HIS 45 1HB HIS 45 -4.925 -10.901 3.351 352 H HIS 45 H HIS 45 -6.036 -8.881 3.536 353 HA HIS 45 HA HIS 45 -3.130 -8.616 3.175 354 HD1 HIS 45 HD1 HIS 45 -5.807 -11.951 1.267 355 HD2 HIS 45 HD2 HIS 45 -1.759 -11.056 0.995 356 HE1 HIS 45 HE1 HIS 45 -5.027 -12.995 -0.883 357 HE2 HIS 45 HE2 HIS 45 -2.607 -12.334 -1.086 358 H VAL 46 H VAL 46 -2.462 -7.646 1.402 359 HA VAL 46 HA VAL 46 -3.916 -8.029 -1.108 360 HB VAL 46 HB VAL 46 -3.087 -5.293 -0.124 361 1HG1 VAL 46 3HG1 VAL 46 -3.148 -6.025 -2.671 362 2HG1 VAL 46 2HG1 VAL 46 -4.872 -5.715 -2.459 363 3HG1 VAL 46 1HG1 VAL 46 -3.700 -4.435 -2.145 364 1HG2 VAL 46 2HG2 VAL 46 -5.836 -6.502 -0.399 365 2HG2 VAL 46 1HG2 VAL 46 -5.026 -6.069 1.106 366 3HG2 VAL 46 3HG2 VAL 46 -5.497 -4.810 -0.034 367 1HB CYS 47 2HB CYS 47 -0.601 -9.219 -4.842 368 2HB CYS 47 1HB CYS 47 0.505 -10.092 -3.785 369 H CYS 47 H CYS 47 -2.477 -8.770 -2.523 370 HA CYS 47 HA CYS 47 0.327 -8.570 -2.118 371 H ALA 48 H ALA 48 -1.806 -6.283 -3.139 372 HA ALA 48 HA ALA 48 -0.059 -5.069 -5.128 373 1HB ALA 48 1HB ALA 48 -2.721 -5.148 -5.043 374 2HB ALA 48 2HB ALA 48 -1.836 -3.822 -5.797 375 3HB ALA 48 3HB ALA 48 -2.469 -3.643 -4.160 376 H ALA 49 H ALA 49 1.727 -4.557 -3.828 377 HA ALA 49 HA ALA 49 1.941 -3.399 -1.418 378 1HB ALA 49 2HB ALA 49 4.043 -3.466 -2.140 379 2HB ALA 49 1HB ALA 49 3.538 -3.377 -3.829 380 3HB ALA 49 3HB ALA 49 3.747 -1.898 -2.892 381 1HA GLY 50 2HA GLY 50 -0.308 0.203 -0.428 382 2HA GLY 50 1HA GLY 50 0.151 0.549 -2.088 383 H GLY 50 H GLY 50 1.327 -1.579 -0.421 384 1HB TRP 51 2HB TRP 51 1.626 4.689 -2.487 385 2HB TRP 51 1HB TRP 51 3.037 5.415 -1.722 386 H TRP 51 H TRP 51 1.130 2.452 -2.215 387 HA TRP 51 HA TRP 51 3.555 3.010 -0.905 388 HD1 TRP 51 HD1 TRP 51 1.996 3.365 -4.707 389 HE1 TRP 51 HE1 TRP 51 4.050 2.916 -6.195 390 HE3 TRP 51 HE3 TRP 51 5.670 5.039 -1.562 391 HZ2 TRP 51 HZ2 TRP 51 6.853 3.235 -6.060 392 HZ3 TRP 51 HZ3 TRP 51 8.009 4.934 -2.321 393 HH2 TRP 51 HH2 TRP 51 8.586 4.052 -4.523 394 1HB MET 52 2HB MET 52 2.465 3.895 4.561 395 2HB MET 52 1HB MET 52 1.250 3.401 3.393 396 1HG MET 52 2HG MET 52 2.340 1.532 2.886 397 2HG MET 52 1HG MET 52 3.890 2.364 2.771 398 H MET 52 H MET 52 3.928 3.628 1.109 399 HA MET 52 HA MET 52 2.022 5.378 2.468 400 1HE MET 52 3HE MET 52 4.018 -0.193 3.353 401 2HE MET 52 2HE MET 52 4.970 -0.385 4.825 402 3HE MET 52 1HE MET 52 3.275 -0.869 4.802 403 H ALA 53 H ALA 53 3.036 5.885 4.775 404 HA ALA 53 HA ALA 53 4.633 7.186 5.778 405 1HB ALA 53 3HB ALA 53 6.769 5.341 4.895 406 2HB ALA 53 1HB ALA 53 5.425 4.642 5.798 407 3HB ALA 53 2HB ALA 53 6.382 5.943 6.507 408 1HB LYS 54 2HB LYS 54 9.315 8.124 4.942 409 2HB LYS 54 1HB LYS 54 9.929 8.557 3.354 410 1HG LYS 54 2HG LYS 54 10.629 10.397 4.435 411 2HG LYS 54 1HG LYS 54 8.979 10.942 4.134 412 1HD LYS 54 2HD LYS 54 9.105 9.356 6.537 413 2HD LYS 54 1HD LYS 54 10.256 10.692 6.607 414 1HE LYS 54 2HE LYS 54 8.639 12.224 6.795 415 2HE LYS 54 1HE LYS 54 7.655 11.466 5.543 416 H LYS 54 H LYS 54 7.317 7.583 5.261 417 HA LYS 54 HA LYS 54 7.365 9.715 3.551 418 1HZ LYS 54 3HZ LYS 54 7.541 9.770 7.708 419 2HZ LYS 54 2HZ LYS 54 7.383 11.322 8.363 420 3HZ LYS 54 1HZ LYS 54 6.316 10.799 7.159 421 1HA GLY 55 1HA GLY 55 8.230 6.854 0.010 422 2HA GLY 55 2HA GLY 55 6.518 6.484 0.168 423 H GLY 55 H GLY 55 7.195 6.419 2.711 424 1HB ARG 56 2HB ARG 56 8.281 3.228 3.931 425 2HB ARG 56 1HB ARG 56 6.748 2.374 3.810 426 1HG ARG 56 2HG ARG 56 7.901 0.323 3.234 427 2HG ARG 56 1HG ARG 56 9.451 1.166 3.262 428 1HD ARG 56 2HD ARG 56 7.790 1.399 5.691 429 2HD ARG 56 1HD ARG 56 8.458 -0.197 5.357 430 1HH1 ARG 56 1HH1 ARG 56 8.062 1.726 7.406 431 2HH1 ARG 56 2HH1 ARG 56 9.092 2.403 8.621 432 1HH2 ARG 56 2HH2 ARG 56 12.021 2.061 6.742 433 2HH2 ARG 56 1HH2 ARG 56 11.344 2.594 8.244 434 H ARG 56 H ARG 56 6.951 4.710 2.465 435 HA ARG 56 HA ARG 56 8.618 2.565 1.461 436 HE ARG 56 HE ARG 56 10.655 1.171 5.147 437 H VAL 57 H VAL 57 7.945 0.783 0.405 438 HA VAL 57 HA VAL 57 5.046 0.503 -0.038 439 HB VAL 57 HB VAL 57 5.357 0.123 -2.234 440 1HG1 VAL 57 1HG1 VAL 57 7.881 1.492 -1.390 441 2HG1 VAL 57 3HG1 VAL 57 7.587 1.113 -3.086 442 3HG1 VAL 57 2HG1 VAL 57 6.468 2.157 -2.210 443 1HG2 VAL 57 3HG2 VAL 57 7.731 -1.475 -1.368 444 2HG2 VAL 57 2HG2 VAL 57 6.287 -1.993 -2.239 445 3HG2 VAL 57 1HG2 VAL 57 7.525 -1.048 -3.066 446 1HA GLY 58 2HA GLY 58 5.002 -3.326 1.967 447 2HA GLY 58 1HA GLY 58 5.594 -3.914 0.422 448 H GLY 58 H GLY 58 4.097 -1.494 0.127 449 1HB TYR 59 2HB TYR 59 1.381 -7.240 -1.085 450 2HB TYR 59 1HB TYR 59 1.731 -5.590 -1.594 451 H TYR 59 H TYR 59 4.216 -5.773 0.958 452 HA TYR 59 HA TYR 59 1.351 -5.309 0.676 453 HD1 TYR 59 HD1 TYR 59 4.185 -4.907 -1.813 454 HD2 TYR 59 HD2 TYR 59 2.930 -8.965 -1.473 455 HE1 TYR 59 HE1 TYR 59 6.334 -5.646 -2.750 456 HE2 TYR 59 HE2 TYR 59 5.076 -9.709 -2.410 457 HH TYR 59 HH TYR 59 7.353 -8.901 -2.673 458 1HB PRO 60 2HB PRO 60 -0.675 -8.309 4.749 459 2HB PRO 60 1HB PRO 60 0.658 -7.279 5.275 460 1HG PRO 60 2HG PRO 60 -1.509 -6.720 3.302 461 2HG PRO 60 1HG PRO 60 -0.785 -5.645 4.508 462 1HD PRO 60 2HD PRO 60 -0.144 -5.551 1.873 463 2HD PRO 60 1HD PRO 60 1.003 -5.129 3.158 464 HA PRO 60 HA PRO 60 1.883 -8.538 3.808 465 1HG1 ILE 61 2HG1 ILE 61 2.717 -10.463 0.704 466 2HG1 ILE 61 1HG1 ILE 61 2.954 -11.556 -0.655 467 H ILE 61 H ILE 61 1.981 -10.396 2.616 468 HA ILE 61 HA ILE 61 -0.390 -11.304 1.183 469 HB ILE 61 HB ILE 61 2.215 -12.792 1.328 470 1HG2 ILE 61 2HG2 ILE 61 -0.257 -13.203 0.032 471 2HG2 ILE 61 1HG2 ILE 61 0.923 -12.792 -1.214 472 3HG2 ILE 61 3HG2 ILE 61 1.225 -14.147 -0.124 473 1HD1 ILE 61 2HD1 ILE 61 0.307 -10.270 -0.418 474 2HD1 ILE 61 1HD1 ILE 61 1.670 -9.249 -0.878 475 3HD1 ILE 61 3HD1 ILE 61 1.260 -10.663 -1.850 476 H VAL 62 H VAL 62 -1.813 -11.975 2.739 477 HA VAL 62 HA VAL 62 -0.963 -13.887 4.759 478 HB VAL 62 HB VAL 62 -3.580 -12.497 4.218 479 1HG1 VAL 62 3HG1 VAL 62 -3.176 -15.020 5.526 480 2HG1 VAL 62 2HG1 VAL 62 -3.758 -13.820 6.680 481 3HG1 VAL 62 1HG1 VAL 62 -4.677 -14.150 5.212 482 1HG2 VAL 62 3HG2 VAL 62 -1.330 -11.764 5.663 483 2HG2 VAL 62 2HG2 VAL 62 -2.934 -11.040 5.773 484 3HG2 VAL 62 1HG2 VAL 62 -2.469 -12.327 6.885 485 1HB LYS 63 2HB LYS 63 -5.159 -14.708 1.508 486 2HB LYS 63 1HB LYS 63 -4.630 -15.009 -0.140 487 1HG LYS 63 2HG LYS 63 -5.139 -17.429 0.226 488 2HG LYS 63 1HG LYS 63 -5.851 -16.980 1.778 489 1HD LYS 63 2HD LYS 63 -7.707 -16.152 0.822 490 2HD LYS 63 1HD LYS 63 -6.805 -15.384 -0.485 491 1HE LYS 63 2HE LYS 63 -7.356 -18.341 -0.348 492 2HE LYS 63 1HE LYS 63 -8.389 -17.194 -1.199 493 H LYS 63 H LYS 63 -2.842 -13.748 1.800 494 HA LYS 63 HA LYS 63 -3.355 -16.638 1.990 495 1HZ LYS 63 3HZ LYS 63 -5.511 -17.633 -1.780 496 2HZ LYS 63 2HZ LYS 63 -6.789 -18.293 -2.668 497 3HZ LYS 63 1HZ LYS 63 -6.562 -16.617 -2.632 498 1HB PRO 64 2HB PRO 64 0.279 -19.423 -0.936 499 2HB PRO 64 1HB PRO 64 1.115 -18.361 0.199 500 1HG PRO 64 2HG PRO 64 -1.427 -19.889 0.548 501 2HG PRO 64 1HG PRO 64 -0.110 -19.623 1.704 502 1HD PRO 64 1HD PRO 64 -2.418 -18.246 1.836 503 2HD PRO 64 2HD PRO 64 -0.860 -17.506 2.263 504 HA PRO 64 HA PRO 64 0.116 -16.670 -0.952 505 1HA GLY 65 2HA GLY 65 -2.177 -17.539 -4.523 506 2HA GLY 65 1HA GLY 65 -1.247 -19.029 -4.556 507 H GLY 65 H GLY 65 0.288 -17.242 -3.120 508 1HB PRO 66 2HB PRO 66 -1.367 -17.353 -9.609 509 2HB PRO 66 1HB PRO 66 0.041 -18.358 -9.961 510 1HG PRO 66 2HG PRO 66 -2.248 -19.453 -9.146 511 2HG PRO 66 1HG PRO 66 -0.686 -20.085 -8.593 512 1HD PRO 66 2HD PRO 66 -2.663 -18.377 -7.144 513 2HD PRO 66 1HD PRO 66 -1.639 -19.690 -6.527 514 HA PRO 66 HA PRO 66 1.119 -17.755 -8.027 515 1HB ASN 67 2HB ASN 67 0.413 -14.214 -10.493 516 2HB ASN 67 1HB ASN 67 -0.420 -13.068 -9.447 517 1HD2 ASN 67 1HD2 ASN 67 0.382 -10.937 -9.286 518 2HD2 ASN 67 2HD2 ASN 67 1.363 -10.261 -10.537 519 H ASN 67 H ASN 67 2.052 -15.877 -8.546 520 HA ASN 67 HA ASN 67 2.423 -13.650 -8.808 521 1HB CYS 68 2HB CYS 68 -1.011 -14.273 -5.165 522 2HB CYS 68 1HB CYS 68 -0.807 -13.559 -3.569 523 H CYS 68 H CYS 68 1.589 -14.657 -6.214 524 HA CYS 68 HA CYS 68 1.001 -12.115 -4.979 525 1HA GLY 69 2HA GLY 69 1.594 -16.587 -2.099 526 2HA GLY 69 1HA GLY 69 1.974 -15.016 -1.406 527 H GLY 69 H GLY 69 0.549 -15.429 -3.786 528 1HB PHE 70 2HB PHE 70 5.744 -13.050 -1.770 529 2HB PHE 70 1HB PHE 70 7.017 -13.950 -0.953 530 H PHE 70 H PHE 70 4.040 -14.383 -1.369 531 HA PHE 70 HA PHE 70 5.948 -15.314 -3.320 532 HD1 PHE 70 HD1 PHE 70 6.051 -12.225 -4.029 533 HD2 PHE 70 HD2 PHE 70 9.142 -14.343 -2.012 534 HE1 PHE 70 HE1 PHE 70 7.677 -11.435 -5.699 535 HE2 PHE 70 HE2 PHE 70 10.774 -13.557 -3.677 536 HZ PHE 70 HZ PHE 70 10.042 -12.100 -5.524 537 1HA GLY 71 1HA GLY 71 7.096 -18.351 -0.260 538 2HA GLY 71 2HA GLY 71 5.503 -19.093 -0.354 539 H GLY 71 H GLY 71 4.605 -16.898 -0.896 540 1HB LYS 72 2HB LYS 72 7.562 -14.935 2.971 541 2HB LYS 72 1HB LYS 72 6.993 -15.033 4.633 542 1HG LYS 72 2HG LYS 72 8.345 -17.459 3.836 543 2HG LYS 72 1HG LYS 72 9.370 -16.039 3.619 544 1HD LYS 72 2HD LYS 72 8.166 -15.621 6.077 545 2HD LYS 72 1HD LYS 72 8.507 -17.353 6.061 546 1HE LYS 72 2HE LYS 72 10.454 -16.445 6.940 547 2HE LYS 72 1HE LYS 72 10.848 -16.660 5.235 548 H LYS 72 H LYS 72 6.610 -16.135 1.282 549 HA LYS 72 HA LYS 72 6.085 -17.378 3.873 550 1HZ LYS 72 3HZ LYS 72 10.275 -14.306 4.889 551 2HZ LYS 72 2HZ LYS 72 10.033 -14.127 6.553 552 3HZ LYS 72 1HZ LYS 72 11.570 -14.506 5.959 553 H THR 73 H THR 73 4.938 -16.067 5.530 554 HA THR 73 HA THR 73 2.674 -14.626 4.308 555 HB THR 73 HB THR 73 1.463 -15.288 6.473 556 HG1 THR 73 HG1 THR 73 2.708 -16.331 7.830 557 1HG2 THR 73 2HG2 THR 73 2.073 -16.911 4.099 558 2HG2 THR 73 1HG2 THR 73 1.424 -17.814 5.468 559 3HG2 THR 73 3HG2 THR 73 0.517 -16.460 4.795 560 1HA GLY 74 2HA GLY 74 4.047 -11.491 7.052 561 2HA GLY 74 1HA GLY 74 2.321 -11.149 7.005 562 H GLY 74 H GLY 74 2.455 -12.552 4.821 563 1HG1 ILE 75 1HG1 ILE 75 2.018 -5.684 5.462 564 2HG1 ILE 75 2HG1 ILE 75 1.812 -6.740 6.856 565 H ILE 75 H ILE 75 3.445 -8.918 7.050 566 HA ILE 75 HA ILE 75 2.979 -7.653 4.606 567 HB ILE 75 HB ILE 75 4.254 -6.811 7.162 568 1HG2 ILE 75 3HG2 ILE 75 4.513 -5.341 4.555 569 2HG2 ILE 75 2HG2 ILE 75 4.591 -4.520 6.114 570 3HG2 ILE 75 1HG2 ILE 75 5.778 -5.761 5.709 571 1HD1 ILE 75 3HD1 ILE 75 2.995 -4.936 8.194 572 2HD1 ILE 75 2HD1 ILE 75 2.743 -3.896 6.793 573 3HD1 ILE 75 1HD1 ILE 75 1.358 -4.589 7.637 574 1HG1 ILE 76 1HG1 ILE 76 5.207 -10.165 2.398 575 2HG1 ILE 76 2HG1 ILE 76 4.168 -9.989 0.987 576 H ILE 76 H ILE 76 4.109 -7.698 2.799 577 HA ILE 76 HA ILE 76 6.921 -8.466 2.864 578 HB ILE 76 HB ILE 76 5.133 -8.036 0.470 579 1HG2 ILE 76 2HG2 ILE 76 7.635 -7.874 0.168 580 2HG2 ILE 76 1HG2 ILE 76 7.711 -9.579 0.614 581 3HG2 ILE 76 3HG2 ILE 76 6.813 -9.081 -0.821 582 1HD1 ILE 76 3HD1 ILE 76 6.922 -11.195 0.987 583 2HD1 ILE 76 2HD1 ILE 76 5.400 -12.086 0.954 584 3HD1 ILE 76 1HD1 ILE 76 5.846 -11.052 -0.403 585 1HB ASP 77 2HB ASP 77 6.767 -4.046 4.213 586 2HB ASP 77 1HB ASP 77 8.460 -3.840 4.649 587 H ASP 77 H ASP 77 7.778 -6.515 3.699 588 HA ASP 77 HA ASP 77 7.775 -4.283 1.776 589 1HB TYR 78 2HB TYR 78 11.116 -5.204 -0.641 590 2HB TYR 78 1HB TYR 78 12.281 -3.885 -0.692 591 H TYR 78 H TYR 78 9.647 -4.088 0.753 592 HA TYR 78 HA TYR 78 12.069 -5.211 1.926 593 HD1 TYR 78 HD1 TYR 78 14.663 -4.312 -0.300 594 HD2 TYR 78 HD2 TYR 78 11.834 -7.488 -0.369 595 HE1 TYR 78 HE1 TYR 78 16.498 -5.932 -0.537 596 HE2 TYR 78 HE2 TYR 78 13.661 -9.118 -0.606 597 HH TYR 78 HH TYR 78 16.679 -8.617 0.116 598 1HA GLY 79 2HA GLY 79 12.949 -1.022 3.085 599 2HA GLY 79 1HA GLY 79 11.294 -0.449 3.287 600 H GLY 79 H GLY 79 10.548 -2.425 2.337 601 1HG1 ILE 80 1HG1 ILE 80 11.779 3.420 2.805 602 2HG1 ILE 80 2HG1 ILE 80 12.654 4.945 2.748 603 H ILE 80 H ILE 80 12.445 1.589 2.591 604 HA ILE 80 HA ILE 80 11.611 2.459 0.148 605 HB ILE 80 HB ILE 80 14.060 3.405 1.640 606 1HG2 ILE 80 2HG2 ILE 80 12.482 4.721 -0.564 607 2HG2 ILE 80 1HG2 ILE 80 13.706 5.528 0.416 608 3HG2 ILE 80 3HG2 ILE 80 14.161 4.185 -0.632 609 1HD1 ILE 80 3HD1 ILE 80 10.598 4.274 0.684 610 2HD1 ILE 80 2HD1 ILE 80 10.145 4.952 2.248 611 3HD1 ILE 80 1HD1 ILE 80 11.214 5.853 1.172 612 1HB ARG 81 2HB ARG 81 12.779 1.732 -4.619 613 2HB ARG 81 1HB ARG 81 13.644 0.203 -4.547 614 1HG ARG 81 2HG ARG 81 11.450 0.769 -2.602 615 2HG ARG 81 1HG ARG 81 11.072 0.243 -4.244 616 1HD ARG 81 2HD ARG 81 12.908 -1.224 -2.357 617 2HD ARG 81 1HD ARG 81 11.207 -1.616 -2.602 618 1HH1 ARG 81 2HH1 ARG 81 9.955 -1.772 -4.099 619 2HH1 ARG 81 1HH1 ARG 81 9.593 -2.724 -5.501 620 1HH2 ARG 81 2HH2 ARG 81 12.934 -3.469 -6.217 621 2HH2 ARG 81 1HH2 ARG 81 11.287 -3.689 -6.704 622 H ARG 81 H ARG 81 12.296 2.382 -1.922 623 HA ARG 81 HA ARG 81 14.607 0.686 -2.497 624 HE ARG 81 HE ARG 81 13.400 -2.213 -4.370 625 1HB LEU 82 2HB LEU 82 17.488 3.205 -2.957 626 2HB LEU 82 1HB LEU 82 17.572 4.333 -4.294 627 H LEU 82 H LEU 82 14.823 3.510 -1.617 628 HA LEU 82 HA LEU 82 15.994 5.401 -2.108 629 HG LEU 82 HG LEU 82 19.470 4.613 -2.792 630 1HD1 LEU 82 2HD1 LEU 82 17.493 6.754 -3.241 631 2HD1 LEU 82 1HD1 LEU 82 18.759 7.098 -2.063 632 3HD1 LEU 82 3HD1 LEU 82 19.189 6.653 -3.714 633 1HD2 LEU 82 1HD2 LEU 82 17.896 3.932 -0.773 634 2HD2 LEU 82 3HD2 LEU 82 19.342 4.914 -0.541 635 3HD2 LEU 82 2HD2 LEU 82 17.757 5.684 -0.620 636 1HB ASN 83 2HB ASN 83 14.997 5.322 -6.969 637 2HB ASN 83 1HB ASN 83 13.775 4.060 -6.841 638 1HD2 ASN 83 2HD2 ASN 83 12.833 3.850 -8.733 639 2HD2 ASN 83 1HD2 ASN 83 12.260 5.137 -9.732 640 H ASN 83 H ASN 83 13.620 4.530 -3.844 641 HA ASN 83 HA ASN 83 13.662 6.802 -5.567 642 1HB ARG 84 2HB ARG 84 8.259 7.622 -3.907 643 2HB ARG 84 1HB ARG 84 9.891 7.842 -3.289 644 1HG ARG 84 2HG ARG 84 9.738 8.992 -5.890 645 2HG ARG 84 1HG ARG 84 8.385 9.579 -4.922 646 1HD ARG 84 2HD ARG 84 11.259 9.608 -4.015 647 2HD ARG 84 1HD ARG 84 10.443 10.978 -4.765 648 1HH1 ARG 84 1HH1 ARG 84 11.529 12.136 -3.597 649 2HH1 ARG 84 2HH1 ARG 84 11.435 13.164 -2.207 650 1HH2 ARG 84 2HH2 ARG 84 8.953 11.283 -0.621 651 2HH2 ARG 84 1HH2 ARG 84 9.972 12.679 -0.515 652 H ARG 84 H ARG 84 11.691 7.515 -5.066 653 HA ARG 84 HA ARG 84 9.510 5.699 -4.552 654 HE ARG 84 HE ARG 84 9.084 9.933 -2.456 655 1HB SER 85 2HB SER 85 11.165 7.095 -9.229 656 2HB SER 85 1HB SER 85 10.630 5.920 -10.430 657 H SER 85 H SER 85 10.713 5.868 -7.271 658 HA SER 85 HA SER 85 8.405 6.825 -8.814 659 HG SER 85 HG SER 85 8.969 8.090 -10.162 660 1HB GLU 86 2HB GLU 86 7.706 1.740 -6.596 661 2HB GLU 86 1HB GLU 86 8.726 0.620 -7.484 662 1HG GLU 86 2HG GLU 86 9.870 3.143 -6.376 663 2HG GLU 86 1HG GLU 86 9.630 1.735 -5.343 664 H GLU 86 H GLU 86 9.037 4.142 -7.303 665 HA GLU 86 HA GLU 86 9.070 2.100 -9.239 666 1HB ARG 87 2HB ARG 87 5.572 -0.679 -11.083 667 2HB ARG 87 1HB ARG 87 4.206 0.317 -11.562 668 1HG ARG 87 2HG ARG 87 5.591 1.966 -12.490 669 2HG ARG 87 1HG ARG 87 7.026 1.330 -11.685 670 1HD ARG 87 2HD ARG 87 7.444 0.322 -13.639 671 2HD ARG 87 1HD ARG 87 6.197 -0.823 -13.143 672 1HH1 ARG 87 1HH1 ARG 87 4.659 -1.496 -13.504 673 2HH1 ARG 87 2HH1 ARG 87 3.338 -1.689 -14.608 674 1HH2 ARG 87 1HH2 ARG 87 4.115 1.157 -16.488 675 2HH2 ARG 87 2HH2 ARG 87 3.029 -0.181 -16.305 676 H ARG 87 H ARG 87 7.160 0.433 -9.233 677 HA ARG 87 HA ARG 87 4.696 1.930 -9.840 678 HE ARG 87 HE ARG 87 5.851 1.400 -15.029 679 1HB TRP 88 2HB TRP 88 3.808 1.054 -5.386 680 2HB TRP 88 1HB TRP 88 2.837 -0.305 -4.837 681 H TRP 88 H TRP 88 3.579 1.684 -7.963 682 HA TRP 88 HA TRP 88 2.782 -1.057 -7.279 683 HD1 TRP 88 HD1 TRP 88 6.262 0.644 -4.956 684 HE1 TRP 88 HE1 TRP 88 7.846 -1.384 -4.976 685 HE3 TRP 88 HE3 TRP 88 2.902 -2.986 -6.227 686 HZ2 TRP 88 HZ2 TRP 88 7.683 -4.164 -5.458 687 HZ3 TRP 88 HZ3 TRP 88 3.695 -5.305 -6.447 688 HH2 TRP 88 HH2 TRP 88 6.038 -5.879 -6.073 689 1HB ASP 89 2HB ASP 89 -0.882 -1.116 -4.474 690 2HB ASP 89 1HB ASP 89 -2.244 -0.002 -4.372 691 H ASP 89 H ASP 89 1.227 -0.275 -5.040 692 HA ASP 89 HA ASP 89 -0.952 1.161 -6.396 693 H ALA 90 H ALA 90 -2.245 1.182 -3.601 694 HA ALA 90 HA ALA 90 -0.619 3.010 -2.098 695 1HB ALA 90 1HB ALA 90 -1.247 4.680 -3.577 696 2HB ALA 90 2HB ALA 90 -2.427 4.841 -2.275 697 3HB ALA 90 3HB ALA 90 -2.875 4.031 -3.776 698 1HB TYR 91 2HB TYR 91 -0.862 1.601 1.954 699 2HB TYR 91 1HB TYR 91 -2.250 1.345 3.005 700 H TYR 91 H TYR 91 -1.036 2.593 -0.049 701 HA TYR 91 HA TYR 91 -3.553 1.326 0.692 702 HD1 TYR 91 HD1 TYR 91 -3.906 -0.524 1.568 703 HD2 TYR 91 HD2 TYR 91 0.334 -0.374 1.853 704 HE1 TYR 91 HE1 TYR 91 -3.798 -2.941 1.136 705 HE2 TYR 91 HE2 TYR 91 0.456 -2.789 1.418 706 HH TYR 91 HH TYR 91 -1.599 -4.522 0.061 707 1HB CYS 92 2HB CYS 92 -6.856 4.443 0.587 708 2HB CYS 92 1HB CYS 92 -6.836 6.055 1.282 709 H CYS 92 H CYS 92 -4.733 3.363 0.269 710 HA CYS 92 HA CYS 92 -4.353 5.729 1.663 711 1HB TYR 93 2HB TYR 93 -4.667 4.820 5.779 712 2HB TYR 93 1HB TYR 93 -4.845 6.546 6.092 713 H TYR 93 H TYR 93 -6.033 6.599 3.258 714 HA TYR 93 HA TYR 93 -7.104 4.754 5.174 715 HD1 TYR 93 HD1 TYR 93 -7.104 6.976 7.648 716 HD2 TYR 93 HD2 TYR 93 -4.595 3.539 7.686 717 HE1 TYR 93 HE1 TYR 93 -7.821 6.488 9.947 718 HE2 TYR 93 HE2 TYR 93 -5.308 3.039 9.986 719 HH TYR 93 HH TYR 93 -6.702 5.152 11.980 720 1HB ASN 94 2HB ASN 94 -9.650 7.780 4.196 721 2HB ASN 94 1HB ASN 94 -11.145 8.145 5.055 722 1HD2 ASN 94 2HD2 ASN 94 -11.563 10.079 4.150 723 2HD2 ASN 94 1HD2 ASN 94 -10.562 11.476 4.339 724 H ASN 94 H ASN 94 -8.795 5.661 6.186 725 HA ASN 94 HA ASN 94 -8.957 8.405 6.878 726 1HB PRO 95 2HB PRO 95 -12.537 8.433 10.982 727 2HB PRO 95 1HB PRO 95 -11.070 7.513 11.334 728 1HG PRO 95 2HG PRO 95 -11.395 10.044 9.782 729 2HG PRO 95 1HG PRO 95 -10.117 9.584 10.920 730 1HD PRO 95 2HD PRO 95 -9.755 9.503 8.253 731 2HD PRO 95 1HD PRO 95 -8.995 8.323 9.341 732 HA PRO 95 HA PRO 95 -11.732 6.194 9.591 733 1HB HIS 96 2HB HIS 96 -13.934 10.490 7.324 734 2HB HIS 96 1HB HIS 96 -15.238 10.313 6.154 735 H HIS 96 H HIS 96 -12.423 8.444 7.188 736 HA HIS 96 HA HIS 96 -15.299 7.894 7.434 737 HD1 HIS 96 HD1 HIS 96 -17.627 10.294 7.038 738 HD2 HIS 96 HD2 HIS 96 -14.754 10.415 10.038 739 HE1 HIS 96 HE1 HIS 96 -18.887 10.794 9.157 740 HE2 HIS 96 HE2 HIS 96 -17.138 10.781 10.971 741 H ALA 97 H ALA 97 -12.672 8.934 5.308 742 HA ALA 97 HA ALA 97 -12.527 8.901 2.996 743 1HB ALA 97 3HB ALA 97 -11.411 6.936 3.266 744 2HB ALA 97 2HB ALA 97 -12.770 6.145 4.066 745 3HB ALA 97 1HB ALA 97 -12.776 6.348 2.315 746 1HB LYS 98 2HB LYS 98 -17.446 9.436 4.037 747 2HB LYS 98 1HB LYS 98 -17.432 10.987 3.209 748 1HG LYS 98 2HG LYS 98 -19.353 10.568 2.097 749 2HG LYS 98 1HG LYS 98 -19.019 8.841 1.947 750 1HD LYS 98 2HD LYS 98 -19.633 8.483 4.260 751 2HD LYS 98 1HD LYS 98 -19.855 10.217 4.499 752 1HE LYS 98 2HE LYS 98 -22.000 9.871 3.996 753 2HE LYS 98 1HE LYS 98 -21.462 9.667 2.330 754 H LYS 98 H LYS 98 -14.909 9.986 3.346 755 HA LYS 98 HA LYS 98 -16.824 8.417 1.763 756 1HZ LYS 98 1HZ LYS 98 -21.151 7.256 2.891 757 2HZ LYS 98 3HZ LYS 98 -21.976 7.552 4.339 758 3HZ LYS 98 2HZ LYS 98 -22.756 7.789 2.857 No H/Q in entry = 758 Start of MODEL 2 1 1HA GLY 1 2HA GLY 1 -10.816 2.877 7.589 2 2HA GLY 1 1HA GLY 1 -9.616 1.952 8.477 3 H1 GLY 1 2H GLY 1 -9.161 4.821 8.281 4 H2 GLY 1 1H GLY 1 -10.456 4.328 9.252 5 H3 GLY 1 3H GLY 1 -8.892 3.768 9.576 6 H VAL 2 H VAL 2 -7.709 1.477 7.525 7 HA VAL 2 HA VAL 2 -6.821 2.951 5.189 8 HB VAL 2 HB VAL 2 -5.020 2.414 6.569 9 1HG1 VAL 2 1HG1 VAL 2 -6.601 0.079 7.202 10 2HG1 VAL 2 3HG1 VAL 2 -4.909 -0.338 6.930 11 3HG1 VAL 2 2HG1 VAL 2 -5.336 0.873 8.141 12 1HG2 VAL 2 2HG2 VAL 2 -5.084 1.421 4.024 13 2HG2 VAL 2 1HG2 VAL 2 -3.646 1.526 5.039 14 3HG2 VAL 2 3HG2 VAL 2 -4.558 0.019 4.957 15 1HB TYR 3 2HB TYR 3 -9.302 0.577 0.690 16 2HB TYR 3 1HB TYR 3 -9.937 0.679 2.325 17 H TYR 3 H TYR 3 -7.102 2.345 3.139 18 HA TYR 3 HA TYR 3 -7.900 -0.430 2.601 19 HD1 TYR 3 HD1 TYR 3 -8.638 2.992 3.478 20 HD2 TYR 3 HD2 TYR 3 -10.021 2.405 -0.501 21 HE1 TYR 3 HE1 TYR 3 -8.916 5.422 3.223 22 HE2 TYR 3 HE2 TYR 3 -10.295 4.832 -0.770 23 HH TYR 3 HH TYR 3 -10.451 6.947 1.671 24 1HB HIS 4 2HB HIS 4 -4.412 -2.086 -0.924 25 2HB HIS 4 1HB HIS 4 -5.954 -2.614 -0.264 26 H HIS 4 H HIS 4 -7.549 -1.102 0.358 27 HA HIS 4 HA HIS 4 -5.040 0.037 -0.635 28 HD1 HIS 4 HD1 HIS 4 -7.849 -3.171 -2.010 29 HD2 HIS 4 HD2 HIS 4 -4.093 -2.463 -3.640 30 HE1 HIS 4 HE1 HIS 4 -7.963 -4.043 -4.366 31 HE2 HIS 4 HE2 HIS 4 -5.695 -3.559 -5.349 32 1HB ARG 5 2HB ARG 5 -6.122 3.266 -3.331 33 2HB ARG 5 1HB ARG 5 -6.935 3.184 -4.887 34 1HG ARG 5 2HG ARG 5 -8.151 1.898 -2.479 35 2HG ARG 5 1HG ARG 5 -8.319 3.633 -2.756 36 1HD ARG 5 2HD ARG 5 -9.016 2.795 -5.173 37 2HD ARG 5 1HD ARG 5 -9.447 1.341 -4.275 38 1HH1 ARG 5 1HH1 ARG 5 -11.010 0.732 -4.644 39 2HH1 ARG 5 2HH1 ARG 5 -12.723 0.776 -4.394 40 1HH2 ARG 5 1HH2 ARG 5 -12.741 4.019 -3.086 41 2HH2 ARG 5 2HH2 ARG 5 -13.708 2.645 -3.508 42 H ARG 5 H ARG 5 -4.838 0.929 -2.611 43 HA ARG 5 HA ARG 5 -6.991 0.653 -4.558 44 HE ARG 5 HE ARG 5 -10.487 3.950 -3.421 45 1HB GLU 6 2HB GLU 6 -3.809 0.092 -9.159 46 2HB GLU 6 1HB GLU 6 -4.891 -0.703 -8.026 47 1HG GLU 6 2HG GLU 6 -5.586 1.258 -10.186 48 2HG GLU 6 1HG GLU 6 -6.102 -0.421 -10.023 49 H GLU 6 H GLU 6 -6.378 1.136 -6.692 50 HA GLU 6 HA GLU 6 -3.472 1.183 -7.092 51 H ALA 7 H ALA 7 -3.312 1.981 -9.690 52 HA ALA 7 HA ALA 7 -3.311 4.778 -9.477 53 1HB ALA 7 3HB ALA 7 -2.513 4.825 -11.690 54 2HB ALA 7 2HB ALA 7 -1.901 3.319 -11.006 55 3HB ALA 7 1HB ALA 7 -3.292 3.295 -12.090 56 1HB ARG 8 2HB ARG 8 -5.110 6.963 -13.325 57 2HB ARG 8 1HB ARG 8 -6.771 6.785 -13.871 58 1HG ARG 8 2HG ARG 8 -7.491 8.653 -12.687 59 2HG ARG 8 1HG ARG 8 -6.078 8.644 -11.631 60 1HD ARG 8 2HD ARG 8 -4.851 9.845 -13.069 61 2HD ARG 8 1HD ARG 8 -5.428 8.935 -14.464 62 1HH1 ARG 8 1HH1 ARG 8 -5.295 9.809 -15.945 63 2HH1 ARG 8 2HH1 ARG 8 -5.962 10.956 -17.059 64 1HH2 ARG 8 1HH2 ARG 8 -8.040 12.480 -14.696 65 2HH2 ARG 8 2HH2 ARG 8 -7.522 12.474 -16.348 66 H ARG 8 H ARG 8 -4.310 5.957 -11.634 67 HA ARG 8 HA ARG 8 -6.916 6.538 -11.094 68 HE ARG 8 HE ARG 8 -7.155 10.966 -13.237 69 1HB SER 9 2HB SER 9 -8.417 4.074 -14.675 70 2HB SER 9 1HB SER 9 -7.414 2.910 -15.541 71 H SER 9 H SER 9 -5.682 3.825 -12.896 72 HA SER 9 HA SER 9 -8.127 2.400 -12.674 73 HG SER 9 HG SER 9 -8.955 1.306 -14.999 74 1HA GLY 10 2HA GLY 10 -3.339 1.157 -14.440 75 2HA GLY 10 1HA GLY 10 -4.625 -0.032 -14.439 76 H GLY 10 H GLY 10 -4.855 2.712 -13.546 77 1HB LYS 11 2HB LYS 11 -4.137 -3.010 -11.610 78 2HB LYS 11 1HB LYS 11 -2.593 -3.715 -12.071 79 1HG LYS 11 2HG LYS 11 -3.027 -4.733 -10.046 80 2HG LYS 11 1HG LYS 11 -1.973 -3.396 -9.581 81 1HD LYS 11 2HD LYS 11 -3.676 -3.258 -8.016 82 2HD LYS 11 1HD LYS 11 -4.189 -2.095 -9.241 83 1HE LYS 11 2HE LYS 11 -5.346 -4.335 -10.193 84 2HE LYS 11 1HE LYS 11 -5.372 -4.682 -8.465 85 H LYS 11 H LYS 11 -2.977 -1.432 -13.532 86 HA LYS 11 HA LYS 11 -2.750 -1.086 -10.619 87 1HZ LYS 11 3HZ LYS 11 -6.463 -2.517 -8.130 88 2HZ LYS 11 2HZ LYS 11 -6.527 -2.298 -9.806 89 3HZ LYS 11 1HZ LYS 11 -7.383 -3.567 -9.085 90 1HB TYR 12 2HB TYR 12 0.879 -3.752 -11.438 91 2HB TYR 12 1HB TYR 12 2.560 -3.263 -11.252 92 H TYR 12 H TYR 12 -0.814 -1.793 -9.593 93 HA TYR 12 HA TYR 12 1.458 -1.697 -9.372 94 HD1 TYR 12 HD1 TYR 12 0.910 -2.880 -8.165 95 HD2 TYR 12 HD2 TYR 12 2.604 -5.840 -10.712 96 HE1 TYR 12 HE1 TYR 12 1.141 -4.394 -6.242 97 HE2 TYR 12 HE2 TYR 12 2.838 -7.362 -8.795 98 HH TYR 12 HH TYR 12 2.977 -7.276 -6.381 99 1HB LYS 13 2HB LYS 13 1.940 2.216 -13.864 100 2HB LYS 13 1HB LYS 13 1.550 0.509 -13.698 101 1HG LYS 13 2HG LYS 13 -0.582 1.106 -13.806 102 2HG LYS 13 1HG LYS 13 -0.385 1.777 -12.186 103 1HD LYS 13 2HD LYS 13 -0.626 3.857 -12.943 104 2HD LYS 13 1HD LYS 13 0.604 3.607 -14.184 105 1HE LYS 13 2HE LYS 13 -2.321 2.897 -14.367 106 2HE LYS 13 1HE LYS 13 -1.496 4.200 -15.222 107 H LYS 13 H LYS 13 0.972 0.617 -10.290 108 HA LYS 13 HA LYS 13 3.158 1.279 -11.986 109 1HZ LYS 13 2HZ LYS 13 -0.045 2.051 -15.929 110 2HZ LYS 13 1HZ LYS 13 -1.593 1.379 -15.818 111 3HZ LYS 13 3HZ LYS 13 -1.312 2.695 -16.845 112 1HB LEU 14 2HB LEU 14 0.505 2.710 -7.753 113 2HB LEU 14 1HB LEU 14 0.826 4.307 -7.107 114 H LEU 14 H LEU 14 1.758 1.918 -9.403 115 HA LEU 14 HA LEU 14 1.193 4.767 -9.752 116 HG LEU 14 HG LEU 14 -1.341 3.473 -9.015 117 1HD1 LEU 14 2HD1 LEU 14 -1.158 3.985 -6.218 118 2HD1 LEU 14 1HD1 LEU 14 -2.203 5.200 -6.957 119 3HD1 LEU 14 3HD1 LEU 14 -2.559 3.486 -7.166 120 1HD2 LEU 14 2HD2 LEU 14 0.078 5.783 -9.363 121 2HD2 LEU 14 1HD2 LEU 14 -1.596 5.529 -9.855 122 3HD2 LEU 14 3HD2 LEU 14 -1.238 6.306 -8.313 123 H THR 15 H THR 15 2.312 6.376 -8.660 124 HA THR 15 HA THR 15 4.974 5.579 -7.695 125 HB THR 15 HB THR 15 5.730 7.816 -8.197 126 HG1 THR 15 HG1 THR 15 3.953 9.118 -9.396 127 1HG2 THR 15 3HG2 THR 15 4.171 6.428 -10.351 128 2HG2 THR 15 2HG2 THR 15 5.037 7.926 -10.689 129 3HG2 THR 15 1HG2 THR 15 5.917 6.509 -10.117 130 1HB TYR 16 2HB TYR 16 6.629 7.829 -3.872 131 2HB TYR 16 1HB TYR 16 6.444 9.441 -4.558 132 H TYR 16 H TYR 16 5.582 8.000 -6.376 133 HA TYR 16 HA TYR 16 4.195 7.534 -3.878 134 HD1 TYR 16 HD1 TYR 16 5.164 7.485 -1.635 135 HD2 TYR 16 HD2 TYR 16 6.602 11.212 -3.098 136 HE1 TYR 16 HE1 TYR 16 5.016 8.423 0.630 137 HE2 TYR 16 HE2 TYR 16 6.456 12.162 -0.834 138 HH TYR 16 HH TYR 16 4.815 10.612 1.709 139 H ALA 17 H ALA 17 4.918 10.413 -5.845 140 HA ALA 17 HA ALA 17 3.173 12.149 -4.495 141 1HB ALA 17 1HB ALA 17 5.021 12.844 -6.003 142 2HB ALA 17 3HB ALA 17 4.037 12.332 -7.376 143 3HB ALA 17 2HB ALA 17 3.490 13.654 -6.342 144 1HB GLU 18 2HB GLU 18 1.582 8.271 -8.371 145 2HB GLU 18 1HB GLU 18 -0.073 8.505 -8.917 146 1HG GLU 18 2HG GLU 18 0.527 10.227 -10.375 147 2HG GLU 18 1HG GLU 18 2.087 10.466 -9.592 148 H GLU 18 H GLU 18 2.660 9.840 -7.054 149 HA GLU 18 HA GLU 18 0.079 10.824 -7.821 150 H ALA 19 H ALA 19 1.216 8.023 -5.954 151 HA ALA 19 HA ALA 19 -1.245 6.963 -5.238 152 1HB ALA 19 1HB ALA 19 0.260 5.494 -4.489 153 2HB ALA 19 2HB ALA 19 0.345 6.493 -3.037 154 3HB ALA 19 3HB ALA 19 1.509 6.731 -4.342 155 1HB LYS 20 2HB LYS 20 1.396 10.722 -1.836 156 2HB LYS 20 1HB LYS 20 0.612 12.031 -2.709 157 1HG LYS 20 2HG LYS 20 0.021 13.075 -0.830 158 2HG LYS 20 1HG LYS 20 -0.522 11.579 -0.064 159 1HD LYS 20 2HD LYS 20 1.720 11.022 0.579 160 2HD LYS 20 1HD LYS 20 2.371 12.376 -0.347 161 1HE LYS 20 2HE LYS 20 0.588 13.629 1.288 162 2HE LYS 20 1HE LYS 20 1.159 12.321 2.322 163 H LYS 20 H LYS 20 0.657 9.491 -3.666 164 HA LYS 20 HA LYS 20 -0.960 9.819 -1.409 165 1HZ LYS 20 1HZ LYS 20 3.461 13.203 1.331 166 2HZ LYS 20 3HZ LYS 20 2.579 14.647 1.324 167 3HZ LYS 20 2HZ LYS 20 2.785 13.789 2.767 168 H ALA 21 H ALA 21 -0.946 11.497 -4.537 169 HA ALA 21 HA ALA 21 -3.018 13.309 -3.952 170 1HB ALA 21 1HB ALA 21 -2.638 14.063 -6.021 171 2HB ALA 21 3HB ALA 21 -1.328 12.883 -6.075 172 3HB ALA 21 2HB ALA 21 -2.909 12.477 -6.743 173 H VAL 22 H VAL 22 -3.067 10.096 -5.453 174 HA VAL 22 HA VAL 22 -5.749 9.952 -6.143 175 HB VAL 22 HB VAL 22 -3.609 8.002 -5.570 176 1HG1 VAL 22 3HG1 VAL 22 -5.373 7.108 -4.168 177 2HG1 VAL 22 2HG1 VAL 22 -6.509 7.189 -5.516 178 3HG1 VAL 22 1HG1 VAL 22 -5.133 6.087 -5.587 179 1HG2 VAL 22 2HG2 VAL 22 -4.068 8.839 -7.816 180 2HG2 VAL 22 1HG2 VAL 22 -4.329 7.097 -7.717 181 3HG2 VAL 22 3HG2 VAL 22 -5.709 8.196 -7.725 182 1HB CYS 23 2HB CYS 23 -3.695 9.273 -1.018 183 2HB CYS 23 1HB CYS 23 -4.875 9.527 0.263 184 H CYS 23 H CYS 23 -4.157 9.396 -3.061 185 HA CYS 23 HA CYS 23 -6.393 8.332 -1.689 186 1HB GLU 24 2HB GLU 24 -5.213 14.211 -2.003 187 2HB GLU 24 1HB GLU 24 -5.900 14.836 -0.512 188 1HG GLU 24 2HG GLU 24 -4.349 13.741 0.816 189 2HG GLU 24 1HG GLU 24 -3.941 12.582 -0.449 190 H GLU 24 H GLU 24 -4.911 11.562 -1.560 191 HA GLU 24 HA GLU 24 -6.921 12.749 0.002 192 1HB PHE 25 2HB PHE 25 -7.136 12.965 -5.639 193 2HB PHE 25 1HB PHE 25 -7.875 11.367 -5.624 194 H PHE 25 H PHE 25 -6.912 11.827 -3.274 195 HA PHE 25 HA PHE 25 -8.945 13.737 -4.080 196 HD1 PHE 25 HD1 PHE 25 -8.295 14.860 -6.679 197 HD2 PHE 25 HD2 PHE 25 -9.866 10.908 -6.853 198 HE1 PHE 25 HE1 PHE 25 -9.791 15.540 -8.509 199 HE2 PHE 25 HE2 PHE 25 -11.365 11.581 -8.684 200 HZ PHE 25 HZ PHE 25 -11.329 13.900 -9.514 201 1HB GLU 26 2HB GLU 26 -9.153 8.195 -2.830 202 2HB GLU 26 1HB GLU 26 -10.789 7.589 -2.633 203 1HG GLU 26 2HG GLU 26 -10.973 8.235 -5.179 204 2HG GLU 26 1HG GLU 26 -9.221 8.047 -5.109 205 H GLU 26 H GLU 26 -8.680 10.380 -3.130 206 HA GLU 26 HA GLU 26 -11.472 9.852 -3.752 207 1HA GLY 27 1HA GLY 27 -12.058 10.797 0.563 208 2HA GLY 27 2HA GLY 27 -10.932 12.142 0.648 209 H GLY 27 H GLY 27 -9.863 11.325 -1.298 210 1HA GLY 28 2HA GLY 28 -8.140 8.955 2.393 211 2HA GLY 28 1HA GLY 28 -8.284 10.316 3.498 212 H GLY 28 H GLY 28 -8.588 11.406 0.992 213 1HB HIS 29 2HB HIS 29 -2.926 10.448 4.286 214 2HB HIS 29 1HB HIS 29 -3.384 11.799 3.253 215 H HIS 29 H HIS 29 -5.948 8.933 3.437 216 HA HIS 29 HA HIS 29 -4.094 10.357 1.700 217 HD1 HIS 29 HD1 HIS 29 -4.876 9.575 5.936 218 HD2 HIS 29 HD2 HIS 29 -5.446 13.308 4.200 219 HE1 HIS 29 HE1 HIS 29 -6.657 10.692 7.314 220 HE2 HIS 29 HE2 HIS 29 -7.054 12.909 6.187 221 1HB LEU 30 2HB LEU 30 0.365 8.859 2.201 222 2HB LEU 30 1HB LEU 30 0.800 7.163 2.202 223 H LEU 30 H LEU 30 -1.797 9.555 2.081 224 HA LEU 30 HA LEU 30 -1.738 6.760 1.804 225 HG LEU 30 HG LEU 30 -0.544 8.619 -0.077 226 1HD1 LEU 30 2HD1 LEU 30 1.972 9.021 0.561 227 2HD1 LEU 30 1HD1 LEU 30 2.192 7.457 -0.225 228 3HD1 LEU 30 3HD1 LEU 30 1.485 8.802 -1.120 229 1HD2 LEU 30 2HD2 LEU 30 -0.853 6.024 0.416 230 2HD2 LEU 30 1HD2 LEU 30 -0.682 6.663 -1.218 231 3HD2 LEU 30 3HD2 LEU 30 0.711 5.956 -0.400 232 H ALA 31 H ALA 31 -2.044 5.296 3.343 233 HA ALA 31 HA ALA 31 -2.065 5.825 6.091 234 1HB ALA 31 2HB ALA 31 -2.156 3.385 4.419 235 2HB ALA 31 1HB ALA 31 -1.745 3.186 6.124 236 3HB ALA 31 3HB ALA 31 -3.268 3.951 5.667 237 H THR 32 H THR 32 -0.682 3.817 7.327 238 HA THR 32 HA THR 32 2.145 4.363 6.734 239 HB THR 32 HB THR 32 2.609 5.242 8.742 240 HG1 THR 32 HG1 THR 32 2.184 4.170 10.555 241 1HG2 THR 32 1HG2 THR 32 0.139 6.095 7.957 242 2HG2 THR 32 3HG2 THR 32 -0.169 5.579 9.616 243 3HG2 THR 32 2HG2 THR 32 1.069 6.790 9.284 244 1HB TYR 33 2HB TYR 33 5.322 1.263 7.755 245 2HB TYR 33 1HB TYR 33 4.962 1.051 9.462 246 H TYR 33 H TYR 33 3.625 2.842 7.871 247 HA TYR 33 HA TYR 33 3.057 0.196 7.285 248 HD1 TYR 33 HD1 TYR 33 5.651 -0.721 6.304 249 HD2 TYR 33 HD2 TYR 33 5.114 -1.091 10.508 250 HE1 TYR 33 HE1 TYR 33 6.537 -3.012 6.210 251 HE2 TYR 33 HE2 TYR 33 6.000 -3.383 10.425 252 HH TYR 33 HH TYR 33 7.700 -4.607 7.885 253 1HB LYS 34 2HB LYS 34 3.072 1.818 12.825 254 2HB LYS 34 1HB LYS 34 1.442 2.402 12.530 255 1HG LYS 34 2HG LYS 34 0.535 0.982 14.192 256 2HG LYS 34 1HG LYS 34 2.043 0.076 14.333 257 1HD LYS 34 2HD LYS 34 2.791 1.487 15.878 258 2HD LYS 34 1HD LYS 34 2.556 2.855 14.787 259 1HE LYS 34 2HE LYS 34 0.490 1.636 16.614 260 2HE LYS 34 1HE LYS 34 1.297 3.188 16.830 261 H LYS 34 H LYS 34 3.120 1.713 10.500 262 HA LYS 34 HA LYS 34 2.281 -0.447 12.004 263 1HZ LYS 34 3HZ LYS 34 0.254 3.431 14.365 264 2HZ LYS 34 2HZ LYS 34 -0.927 2.493 15.131 265 3HZ LYS 34 1HZ LYS 34 -0.486 3.992 15.779 266 1HB GLN 35 2HB GLN 35 -1.447 2.501 8.676 267 2HB GLN 35 1HB GLN 35 -3.081 2.331 9.292 268 1HG GLN 35 2HG GLN 35 -2.425 3.615 11.296 269 2HG GLN 35 1HG GLN 35 -0.832 3.853 10.580 270 1HE2 GLN 35 1HE2 GLN 35 -2.868 5.803 11.347 271 2HE2 GLN 35 2HE2 GLN 35 -3.216 6.714 9.921 272 H GLN 35 H GLN 35 0.294 2.037 10.420 273 HA GLN 35 HA GLN 35 -2.201 1.109 11.253 274 1HB LEU 36 2HB LEU 36 0.895 -0.984 7.190 275 2HB LEU 36 1HB LEU 36 0.622 -2.709 7.057 276 H LEU 36 H LEU 36 -0.087 0.089 8.653 277 HA LEU 36 HA LEU 36 -1.929 -1.509 7.237 278 HG LEU 36 HG LEU 36 0.784 -1.730 4.851 279 1HD1 LEU 36 1HD1 LEU 36 -1.234 -3.380 5.710 280 2HD1 LEU 36 3HD1 LEU 36 -2.099 -2.135 4.810 281 3HD1 LEU 36 2HD1 LEU 36 -0.813 -3.054 4.029 282 1HD2 LEU 36 2HD2 LEU 36 -0.638 0.407 6.035 283 2HD2 LEU 36 1HD2 LEU 36 0.032 0.305 4.406 284 3HD2 LEU 36 3HD2 LEU 36 -1.624 -0.220 4.713 285 1HB GLU 37 2HB GLU 37 1.453 -3.577 11.500 286 2HB GLU 37 1HB GLU 37 0.142 -2.903 12.451 287 1HG GLU 37 2HG GLU 37 -0.428 -5.377 12.955 288 2HG GLU 37 1HG GLU 37 1.233 -5.678 12.446 289 H GLU 37 H GLU 37 0.102 -2.102 10.032 290 HA GLU 37 HA GLU 37 -0.194 -4.893 10.200 291 H ALA 38 H ALA 38 -1.885 -2.320 11.953 292 HA ALA 38 HA ALA 38 -3.756 -3.839 13.302 293 1HB ALA 38 3HB ALA 38 -3.386 -1.397 13.600 294 2HB ALA 38 1HB ALA 38 -5.089 -1.842 13.486 295 3HB ALA 38 2HB ALA 38 -4.271 -1.121 12.100 296 H ALA 39 H ALA 39 -3.641 -2.879 9.967 297 HA ALA 39 HA ALA 39 -6.337 -3.579 9.317 298 1HB ALA 39 1HB ALA 39 -3.968 -3.340 7.468 299 2HB ALA 39 2HB ALA 39 -4.964 -1.984 7.999 300 3HB ALA 39 3HB ALA 39 -5.672 -3.272 7.022 301 1HB ARG 40 2HB ARG 40 -1.753 -6.859 8.255 302 2HB ARG 40 1HB ARG 40 -1.828 -7.298 9.956 303 1HG ARG 40 2HG ARG 40 -2.761 -9.528 8.524 304 2HG ARG 40 1HG ARG 40 -1.324 -8.952 7.678 305 1HD ARG 40 2HD ARG 40 0.033 -9.659 9.301 306 2HD ARG 40 1HD ARG 40 -0.979 -8.954 10.561 307 1HH1 ARG 40 1HH1 ARG 40 -0.947 -9.581 12.123 308 2HH1 ARG 40 2HH1 ARG 40 -1.362 -10.819 13.261 309 1HH2 ARG 40 2HH2 ARG 40 -2.215 -13.177 10.825 310 2HH2 ARG 40 1HH2 ARG 40 -2.082 -12.863 12.524 311 H ARG 40 H ARG 40 -3.288 -5.242 9.485 312 HA ARG 40 HA ARG 40 -4.141 -7.564 8.027 313 HE ARG 40 HE ARG 40 -1.666 -11.538 9.334 314 1HB LYS 41 2HB LYS 41 -5.641 -6.351 13.465 315 2HB LYS 41 1HB LYS 41 -5.325 -7.719 14.521 316 1HG LYS 41 2HG LYS 41 -2.862 -7.403 13.781 317 2HG LYS 41 1HG LYS 41 -3.400 -5.794 13.296 318 1HD LYS 41 2HD LYS 41 -3.390 -5.081 15.404 319 2HD LYS 41 1HD LYS 41 -4.378 -6.448 15.926 320 1HE LYS 41 2HE LYS 41 -2.527 -6.951 17.121 321 2HE LYS 41 1HE LYS 41 -2.032 -7.699 15.603 322 H LYS 41 H LYS 41 -4.016 -6.587 11.392 323 HA LYS 41 HA LYS 41 -4.425 -8.996 12.668 324 1HZ LYS 41 1HZ LYS 41 -1.370 -4.892 16.269 325 2HZ LYS 41 3HZ LYS 41 -0.367 -6.183 16.705 326 3HZ LYS 41 2HZ LYS 41 -0.684 -5.871 15.074 327 1HG1 ILE 42 1HG1 ILE 42 -8.194 -5.495 9.349 328 2HG1 ILE 42 2HG1 ILE 42 -8.097 -7.106 8.645 329 H ILE 42 H ILE 42 -6.588 -7.251 10.644 330 HA ILE 42 HA ILE 42 -8.906 -8.733 11.656 331 HB ILE 42 HB ILE 42 -10.286 -7.279 10.334 332 1HG2 ILE 42 2HG2 ILE 42 -9.417 -6.451 12.507 333 2HG2 ILE 42 1HG2 ILE 42 -8.145 -5.601 11.629 334 3HG2 ILE 42 3HG2 ILE 42 -9.835 -5.164 11.376 335 1HD1 ILE 42 1HD1 ILE 42 -10.808 -6.094 8.678 336 2HD1 ILE 42 3HD1 ILE 42 -9.703 -5.041 7.795 337 3HD1 ILE 42 2HD1 ILE 42 -9.852 -6.740 7.343 338 1HA GLY 43 1HA GLY 43 -8.328 -10.597 7.548 339 2HA GLY 43 2HA GLY 43 -6.575 -10.623 7.673 340 H GLY 43 H GLY 43 -6.809 -8.439 8.880 341 1HB PHE 44 2HB PHE 44 -6.714 -5.569 6.325 342 2HB PHE 44 1HB PHE 44 -5.002 -5.866 6.054 343 H PHE 44 H PHE 44 -6.031 -7.953 7.154 344 HA PHE 44 HA PHE 44 -7.217 -7.305 4.582 345 HD1 PHE 44 HD1 PHE 44 -7.437 -5.936 3.321 346 HD2 PHE 44 HD2 PHE 44 -4.555 -3.602 5.399 347 HE1 PHE 44 HE1 PHE 44 -7.462 -4.289 1.493 348 HE2 PHE 44 HE2 PHE 44 -4.571 -1.948 3.578 349 HZ PHE 44 HZ PHE 44 -6.028 -2.291 1.621 350 1HB HIS 45 2HB HIS 45 -4.481 -11.529 3.423 351 2HB HIS 45 1HB HIS 45 -5.882 -11.173 2.421 352 H HIS 45 H HIS 45 -6.411 -9.250 3.538 353 HA HIS 45 HA HIS 45 -3.542 -9.409 3.080 354 HD1 HIS 45 HD1 HIS 45 -5.756 -12.846 0.596 355 HD2 HIS 45 HD2 HIS 45 -2.081 -11.051 1.316 356 HE1 HIS 45 HE1 HIS 45 -4.213 -13.731 -1.179 357 HE2 HIS 45 HE2 HIS 45 -2.020 -12.560 -0.780 358 H VAL 46 H VAL 46 -2.618 -8.315 1.493 359 HA VAL 46 HA VAL 46 -3.900 -8.163 -1.116 360 HB VAL 46 HB VAL 46 -2.971 -5.675 0.327 361 1HG1 VAL 46 1HG1 VAL 46 -3.379 -6.291 -2.479 362 2HG1 VAL 46 3HG1 VAL 46 -4.366 -4.933 -1.940 363 3HG1 VAL 46 2HG1 VAL 46 -2.616 -4.889 -1.730 364 1HG2 VAL 46 1HG2 VAL 46 -5.504 -6.992 0.289 365 2HG2 VAL 46 3HG2 VAL 46 -5.041 -5.499 1.105 366 3HG2 VAL 46 2HG2 VAL 46 -5.639 -5.449 -0.553 367 1HB CYS 47 2HB CYS 47 0.596 -10.354 -3.410 368 2HB CYS 47 1HB CYS 47 -1.164 -10.403 -3.382 369 H CYS 47 H CYS 47 -2.427 -8.745 -2.569 370 HA CYS 47 HA CYS 47 0.390 -8.700 -1.898 371 H ALA 48 H ALA 48 -1.684 -6.458 -3.090 372 HA ALA 48 HA ALA 48 0.129 -5.324 -5.069 373 1HB ALA 48 1HB ALA 48 -2.534 -5.394 -5.064 374 2HB ALA 48 2HB ALA 48 -1.622 -4.095 -5.833 375 3HB ALA 48 3HB ALA 48 -2.305 -3.859 -4.224 376 H ALA 49 H ALA 49 1.882 -4.750 -3.759 377 HA ALA 49 HA ALA 49 2.005 -3.497 -1.378 378 1HB ALA 49 3HB ALA 49 4.142 -3.566 -1.967 379 2HB ALA 49 2HB ALA 49 3.719 -3.675 -3.676 380 3HB ALA 49 1HB ALA 49 3.882 -2.096 -2.906 381 1HA GLY 50 2HA GLY 50 -0.339 0.123 -0.728 382 2HA GLY 50 1HA GLY 50 0.336 0.451 -2.318 383 H GLY 50 H GLY 50 1.284 -1.670 -0.499 384 1HB TRP 51 2HB TRP 51 1.744 4.671 -2.365 385 2HB TRP 51 1HB TRP 51 3.158 5.317 -1.535 386 H TRP 51 H TRP 51 1.316 2.359 -2.303 387 HA TRP 51 HA TRP 51 3.602 2.895 -0.794 388 HD1 TRP 51 HD1 TRP 51 2.137 3.315 -4.589 389 HE1 TRP 51 HE1 TRP 51 4.206 2.929 -6.074 390 HE3 TRP 51 HE3 TRP 51 5.758 5.030 -1.410 391 HZ2 TRP 51 HZ2 TRP 51 6.997 3.311 -5.924 392 HZ3 TRP 51 HZ3 TRP 51 8.101 4.987 -2.160 393 HH2 TRP 51 HH2 TRP 51 8.705 4.145 -4.370 394 1HB MET 52 2HB MET 52 2.749 4.327 4.549 395 2HB MET 52 1HB MET 52 1.876 3.235 3.484 396 1HG MET 52 2HG MET 52 3.947 2.398 2.578 397 2HG MET 52 1HG MET 52 4.867 3.565 3.525 398 H MET 52 H MET 52 4.004 4.316 0.929 399 HA MET 52 HA MET 52 1.723 5.333 2.434 400 1HE MET 52 1HE MET 52 4.694 0.255 3.151 401 2HE MET 52 3HE MET 52 4.294 -0.583 4.651 402 3HE MET 52 2HE MET 52 3.006 0.047 3.623 403 H ALA 53 H ALA 53 2.945 6.125 4.720 404 HA ALA 53 HA ALA 53 4.188 8.500 4.050 405 1HB ALA 53 3HB ALA 53 4.668 8.783 6.355 406 2HB ALA 53 1HB ALA 53 4.662 7.044 6.641 407 3HB ALA 53 2HB ALA 53 3.157 7.879 6.262 408 1HB LYS 54 2HB LYS 54 8.049 7.047 5.713 409 2HB LYS 54 1HB LYS 54 9.203 6.439 4.535 410 1HG LYS 54 2HG LYS 54 10.875 7.631 5.396 411 2HG LYS 54 1HG LYS 54 9.888 9.085 5.533 412 1HD LYS 54 2HD LYS 54 9.964 8.763 7.740 413 2HD LYS 54 1HD LYS 54 8.852 7.419 7.475 414 1HE LYS 54 2HE LYS 54 10.762 5.901 7.226 415 2HE LYS 54 1HE LYS 54 11.863 7.248 7.516 416 H LYS 54 H LYS 54 6.343 9.245 4.218 417 HA LYS 54 HA LYS 54 8.597 9.180 3.938 418 1HZ LYS 54 3HZ LYS 54 9.806 6.378 9.465 419 2HZ LYS 54 2HZ LYS 54 11.402 5.818 9.486 420 3HZ LYS 54 1HZ LYS 54 11.081 7.460 9.726 421 1HA GLY 55 1HA GLY 55 8.234 7.039 0.031 422 2HA GLY 55 2HA GLY 55 6.521 6.646 0.049 423 H GLY 55 H GLY 55 6.451 7.198 2.315 424 1HB ARG 56 2HB ARG 56 7.951 3.398 3.909 425 2HB ARG 56 1HB ARG 56 6.446 2.523 3.661 426 1HG ARG 56 2HG ARG 56 7.646 0.484 3.221 427 2HG ARG 56 1HG ARG 56 9.190 1.336 3.298 428 1HD ARG 56 2HD ARG 56 7.368 1.526 5.638 429 2HD ARG 56 1HD ARG 56 8.215 0.003 5.372 430 1HH1 ARG 56 1HH1 ARG 56 8.484 -0.128 7.297 431 2HH1 ARG 56 2HH1 ARG 56 9.683 0.009 8.539 432 1HH2 ARG 56 1HH2 ARG 56 11.491 2.524 6.916 433 2HH2 ARG 56 2HH2 ARG 56 11.394 1.519 8.321 434 H ARG 56 H ARG 56 6.696 4.856 2.316 435 HA ARG 56 HA ARG 56 8.499 2.739 1.473 436 HE ARG 56 HE ARG 56 9.907 2.335 5.287 437 H VAL 57 H VAL 57 7.803 0.634 0.890 438 HA VAL 57 HA VAL 57 4.994 0.426 0.048 439 HB VAL 57 HB VAL 57 5.449 0.076 -2.117 440 1HG1 VAL 57 1HG1 VAL 57 8.011 1.291 -1.146 441 2HG1 VAL 57 3HG1 VAL 57 7.750 0.949 -2.857 442 3HG1 VAL 57 2HG1 VAL 57 6.672 2.054 -2.004 443 1HG2 VAL 57 1HG2 VAL 57 7.712 -1.615 -1.113 444 2HG2 VAL 57 3HG2 VAL 57 6.263 -2.100 -1.993 445 3HG2 VAL 57 2HG2 VAL 57 7.553 -1.238 -2.829 446 1HA GLY 58 2HA GLY 58 4.976 -3.406 2.030 447 2HA GLY 58 1HA GLY 58 5.560 -4.013 0.488 448 H GLY 58 H GLY 58 4.105 -1.629 0.063 449 1HB TYR 59 2HB TYR 59 1.383 -7.411 -0.933 450 2HB TYR 59 1HB TYR 59 1.729 -5.796 -1.542 451 H TYR 59 H TYR 59 4.165 -5.856 1.042 452 HA TYR 59 HA TYR 59 1.308 -5.338 0.680 453 HD1 TYR 59 HD1 TYR 59 4.170 -5.101 -1.793 454 HD2 TYR 59 HD2 TYR 59 2.978 -9.136 -1.112 455 HE1 TYR 59 HE1 TYR 59 6.343 -5.880 -2.631 456 HE2 TYR 59 HE2 TYR 59 5.147 -9.919 -1.961 457 HH TYR 59 HH TYR 59 7.101 -8.326 -3.779 458 1HB PRO 60 2HB PRO 60 -0.824 -7.910 4.980 459 2HB PRO 60 1HB PRO 60 0.572 -6.950 5.471 460 1HG PRO 60 2HG PRO 60 -1.533 -6.339 3.449 461 2HG PRO 60 1HG PRO 60 -0.742 -5.258 4.609 462 1HD PRO 60 1HD PRO 60 -0.077 -5.324 1.986 463 2HD PRO 60 2HD PRO 60 1.102 -4.957 3.261 464 HA PRO 60 HA PRO 60 1.733 -8.339 4.078 465 1HG1 ILE 61 2HG1 ILE 61 2.536 -10.531 1.167 466 2HG1 ILE 61 1HG1 ILE 61 2.670 -11.642 -0.193 467 H ILE 61 H ILE 61 1.748 -10.257 2.959 468 HA ILE 61 HA ILE 61 -0.690 -11.148 1.631 469 HB ILE 61 HB ILE 61 1.805 -12.793 1.792 470 1HG2 ILE 61 1HG2 ILE 61 -0.671 -13.037 0.512 471 2HG2 ILE 61 3HG2 ILE 61 0.491 -12.647 -0.757 472 3HG2 ILE 61 2HG2 ILE 61 0.758 -14.045 0.285 473 1HD1 ILE 61 2HD1 ILE 61 0.248 -10.693 -0.703 474 2HD1 ILE 61 1HD1 ILE 61 0.896 -9.314 0.185 475 3HD1 ILE 61 3HD1 ILE 61 1.719 -9.897 -1.261 476 H VAL 62 H VAL 62 -2.167 -12.004 2.934 477 HA VAL 62 HA VAL 62 -1.335 -13.681 5.183 478 HB VAL 62 HB VAL 62 -4.151 -12.839 4.516 479 1HG1 VAL 62 1HG1 VAL 62 -2.875 -14.360 6.640 480 2HG1 VAL 62 3HG1 VAL 62 -3.866 -13.034 7.249 481 3HG1 VAL 62 2HG1 VAL 62 -4.577 -14.251 6.190 482 1HG2 VAL 62 1HG2 VAL 62 -1.947 -11.296 5.752 483 2HG2 VAL 62 3HG2 VAL 62 -3.331 -10.742 4.810 484 3HG2 VAL 62 2HG2 VAL 62 -3.536 -11.175 6.507 485 1HB LYS 63 2HB LYS 63 -5.146 -14.986 1.876 486 2HB LYS 63 1HB LYS 63 -4.601 -15.270 0.230 487 1HG LYS 63 2HG LYS 63 -5.275 -17.463 0.236 488 2HG LYS 63 1HG LYS 63 -5.139 -17.611 1.990 489 1HD LYS 63 2HD LYS 63 -7.161 -15.740 0.851 490 2HD LYS 63 1HD LYS 63 -7.491 -17.472 0.823 491 1HE LYS 63 2HE LYS 63 -7.274 -17.613 3.206 492 2HE LYS 63 1HE LYS 63 -6.720 -15.944 3.301 493 H LYS 63 H LYS 63 -2.682 -13.851 2.023 494 HA LYS 63 HA LYS 63 -3.182 -16.731 2.394 495 1HZ LYS 63 1HZ LYS 63 -9.370 -16.575 2.175 496 2HZ LYS 63 3HZ LYS 63 -9.154 -16.470 3.851 497 3HZ LYS 63 2HZ LYS 63 -8.825 -15.132 2.869 498 1HB PRO 64 2HB PRO 64 0.119 -19.374 0.004 499 2HB PRO 64 1HB PRO 64 1.570 -18.369 0.013 500 1HG PRO 64 2HG PRO 64 0.469 -19.224 2.290 501 2HG PRO 64 1HG PRO 64 1.194 -17.613 2.165 502 1HD PRO 64 1HD PRO 64 -1.673 -18.400 2.254 503 2HD PRO 64 2HD PRO 64 -0.883 -16.928 2.855 504 HA PRO 64 HA PRO 64 0.403 -16.447 -0.472 505 1HA GLY 65 2HA GLY 65 -1.972 -16.900 -4.113 506 2HA GLY 65 1HA GLY 65 -1.263 -18.504 -4.004 507 H GLY 65 H GLY 65 0.214 -16.432 -2.616 508 1HB PRO 66 2HB PRO 66 0.026 -17.975 -9.515 509 2HB PRO 66 1HB PRO 66 0.551 -19.297 -8.467 510 1HG PRO 66 2HG PRO 66 -2.100 -17.911 -8.589 511 2HG PRO 66 1HG PRO 66 -1.750 -19.643 -8.438 512 1HD PRO 66 1HD PRO 66 -2.438 -18.086 -6.320 513 2HD PRO 66 2HD PRO 66 -1.369 -19.496 -6.172 514 HA PRO 66 HA PRO 66 1.511 -17.569 -7.289 515 1HB ASN 67 2HB ASN 67 -0.597 -14.087 -10.012 516 2HB ASN 67 1HB ASN 67 0.558 -13.057 -10.854 517 1HD2 ASN 67 1HD2 ASN 67 -1.033 -15.990 -10.870 518 2HD2 ASN 67 2HD2 ASN 67 -0.098 -16.790 -12.082 519 H ASN 67 H ASN 67 2.209 -15.945 -8.645 520 HA ASN 67 HA ASN 67 2.364 -13.829 -9.469 521 1HB CYS 68 2HB CYS 68 -1.048 -13.270 -6.048 522 2HB CYS 68 1HB CYS 68 -0.835 -12.485 -4.487 523 H CYS 68 H CYS 68 1.754 -14.155 -6.644 524 HA CYS 68 HA CYS 68 1.236 -11.447 -5.996 525 1HA GLY 69 2HA GLY 69 1.108 -15.309 -2.286 526 2HA GLY 69 1HA GLY 69 1.550 -13.667 -1.836 527 H GLY 69 H GLY 69 0.301 -14.387 -4.229 528 1HB PHE 70 2HB PHE 70 5.464 -12.564 -0.999 529 2HB PHE 70 1HB PHE 70 6.591 -13.735 -0.321 530 H PHE 70 H PHE 70 3.591 -13.646 -1.175 531 HA PHE 70 HA PHE 70 5.677 -14.549 -2.952 532 HD1 PHE 70 HD1 PHE 70 5.952 -11.565 -3.244 533 HD2 PHE 70 HD2 PHE 70 8.800 -13.885 -1.096 534 HE1 PHE 70 HE1 PHE 70 7.756 -10.624 -4.627 535 HE2 PHE 70 HE2 PHE 70 10.610 -12.948 -2.474 536 HZ PHE 70 HZ PHE 70 10.088 -11.314 -4.243 537 1HA GLY 71 1HA GLY 71 5.939 -18.010 -0.081 538 2HA GLY 71 2HA GLY 71 4.288 -18.477 -0.468 539 H GLY 71 H GLY 71 3.805 -16.054 -0.681 540 1HB LYS 72 2HB LYS 72 6.143 -15.994 5.376 541 2HB LYS 72 1HB LYS 72 7.116 -17.121 4.441 542 1HG LYS 72 2HG LYS 72 6.629 -15.085 2.657 543 2HG LYS 72 1HG LYS 72 6.847 -14.242 4.193 544 1HD LYS 72 2HD LYS 72 9.026 -14.894 4.402 545 2HD LYS 72 1HD LYS 72 8.775 -16.395 3.509 546 1HE LYS 72 2HE LYS 72 9.973 -15.237 1.955 547 2HE LYS 72 1HE LYS 72 8.348 -14.712 1.514 548 H LYS 72 H LYS 72 6.168 -16.574 1.856 549 HA LYS 72 HA LYS 72 4.892 -17.806 4.083 550 1HZ LYS 72 3HZ LYS 72 9.842 -13.153 3.500 551 2HZ LYS 72 2HZ LYS 72 10.254 -12.988 1.868 552 3HZ LYS 72 1HZ LYS 72 8.681 -12.640 2.381 553 H THR 73 H THR 73 4.231 -16.074 5.926 554 HA THR 73 HA THR 73 2.123 -14.401 4.720 555 HB THR 73 HB THR 73 0.778 -14.794 6.745 556 HG1 THR 73 HG1 THR 73 2.156 -15.331 8.343 557 1HG2 THR 73 2HG2 THR 73 1.673 -17.100 5.063 558 2HG2 THR 73 1HG2 THR 73 0.519 -17.364 6.371 559 3HG2 THR 73 3HG2 THR 73 0.130 -16.246 5.062 560 1HA GLY 74 2HA GLY 74 4.080 -11.359 7.189 561 2HA GLY 74 1HA GLY 74 2.403 -10.872 7.403 562 H GLY 74 H GLY 74 2.105 -12.300 5.234 563 1HG1 ILE 75 1HG1 ILE 75 1.990 -5.553 5.542 564 2HG1 ILE 75 2HG1 ILE 75 1.820 -6.552 6.982 565 H ILE 75 H ILE 75 3.575 -8.722 7.227 566 HA ILE 75 HA ILE 75 2.952 -7.544 4.742 567 HB ILE 75 HB ILE 75 4.266 -6.597 7.241 568 1HG2 ILE 75 3HG2 ILE 75 4.504 -5.254 4.569 569 2HG2 ILE 75 2HG2 ILE 75 4.532 -4.334 6.073 570 3HG2 ILE 75 1HG2 ILE 75 5.759 -5.564 5.768 571 1HD1 ILE 75 3HD1 ILE 75 3.012 -4.687 8.224 572 2HD1 ILE 75 2HD1 ILE 75 2.731 -3.706 6.786 573 3HD1 ILE 75 1HD1 ILE 75 1.365 -4.372 7.681 574 1HG1 ILE 76 2HG1 ILE 76 4.152 -9.398 2.245 575 2HG1 ILE 76 1HG1 ILE 76 4.091 -9.740 0.520 576 H ILE 76 H ILE 76 4.057 -7.619 2.909 577 HA ILE 76 HA ILE 76 6.877 -8.364 2.947 578 HB ILE 76 HB ILE 76 5.361 -7.847 0.425 579 1HG2 ILE 76 1HG2 ILE 76 7.805 -8.377 0.481 580 2HG2 ILE 76 3HG2 ILE 76 7.380 -9.974 1.101 581 3HG2 ILE 76 2HG2 ILE 76 6.828 -9.472 -0.498 582 1HD1 ILE 76 2HD1 ILE 76 6.385 -10.917 1.886 583 2HD1 ILE 76 1HD1 ILE 76 4.817 -11.512 2.433 584 3HD1 ILE 76 3HD1 ILE 76 5.257 -11.623 0.728 585 1HB ASP 77 2HB ASP 77 6.649 -3.143 3.348 586 2HB ASP 77 1HB ASP 77 7.342 -4.107 4.647 587 H ASP 77 H ASP 77 7.766 -6.411 3.721 588 HA ASP 77 HA ASP 77 7.807 -4.261 1.710 589 1HB TYR 78 2HB TYR 78 11.339 -4.845 -0.517 590 2HB TYR 78 1HB TYR 78 12.922 -4.156 -0.173 591 H TYR 78 H TYR 78 9.753 -4.324 0.805 592 HA TYR 78 HA TYR 78 12.064 -5.268 2.253 593 HD1 TYR 78 HD1 TYR 78 14.706 -5.637 0.812 594 HD2 TYR 78 HD2 TYR 78 11.050 -7.180 -0.719 595 HE1 TYR 78 HE1 TYR 78 15.721 -7.871 0.658 596 HE2 TYR 78 HE2 TYR 78 12.054 -9.420 -0.877 597 HH TYR 78 HH TYR 78 14.795 -10.319 0.666 598 1HA GLY 79 2HA GLY 79 12.903 -1.123 3.507 599 2HA GLY 79 1HA GLY 79 11.232 -0.605 3.718 600 H GLY 79 H GLY 79 10.554 -2.583 2.729 601 1HG1 ILE 80 1HG1 ILE 80 11.250 3.002 3.244 602 2HG1 ILE 80 2HG1 ILE 80 12.122 4.481 3.633 603 H ILE 80 H ILE 80 12.192 1.504 3.087 604 HA ILE 80 HA ILE 80 11.427 2.299 0.569 605 HB ILE 80 HB ILE 80 13.628 3.615 2.155 606 1HG2 ILE 80 2HG2 ILE 80 11.673 4.629 0.102 607 2HG2 ILE 80 1HG2 ILE 80 12.655 5.682 1.121 608 3HG2 ILE 80 3HG2 ILE 80 13.432 4.578 -0.014 609 1HD1 ILE 80 2HD1 ILE 80 9.933 4.240 1.585 610 2HD1 ILE 80 1HD1 ILE 80 9.754 4.886 3.217 611 3HD1 ILE 80 3HD1 ILE 80 10.776 5.718 2.045 612 1HB ARG 81 2HB ARG 81 13.314 1.953 -4.051 613 2HB ARG 81 1HB ARG 81 14.356 0.555 -3.825 614 1HG ARG 81 2HG ARG 81 11.845 0.858 -2.229 615 2HG ARG 81 1HG ARG 81 11.806 0.217 -3.872 616 1HD ARG 81 2HD ARG 81 13.621 -0.891 -1.745 617 2HD ARG 81 1HD ARG 81 11.974 -1.476 -1.984 618 1HH1 ARG 81 1HH1 ARG 81 14.719 -2.216 -1.496 619 2HH1 ARG 81 2HH1 ARG 81 15.767 -3.415 -2.177 620 1HH2 ARG 81 1HH2 ARG 81 14.187 -3.443 -5.296 621 2HH2 ARG 81 2HH2 ARG 81 15.465 -4.112 -4.338 622 H ARG 81 H ARG 81 12.427 2.581 -1.395 623 HA ARG 81 HA ARG 81 15.002 1.203 -1.711 624 HE ARG 81 HE ARG 81 12.813 -1.864 -4.391 625 1HB LEU 82 2HB LEU 82 17.164 4.252 -2.585 626 2HB LEU 82 1HB LEU 82 17.256 5.873 -3.241 627 H LEU 82 H LEU 82 14.323 4.127 -0.983 628 HA LEU 82 HA LEU 82 15.365 6.133 -1.255 629 HG LEU 82 HG LEU 82 18.942 5.578 -1.533 630 1HD1 LEU 82 2HD1 LEU 82 17.110 7.646 -1.630 631 2HD1 LEU 82 1HD1 LEU 82 17.210 7.246 0.084 632 3HD1 LEU 82 3HD1 LEU 82 18.671 7.665 -0.811 633 1HD2 LEU 82 2HD2 LEU 82 17.606 3.795 -0.314 634 2HD2 LEU 82 1HD2 LEU 82 18.506 4.937 0.684 635 3HD2 LEU 82 3HD2 LEU 82 16.764 5.124 0.484 636 1HB ASN 83 2HB ASN 83 14.667 5.697 -7.036 637 2HB ASN 83 1HB ASN 83 14.385 4.158 -6.227 638 1HD2 ASN 83 1HD2 ASN 83 12.729 2.905 -6.856 639 2HD2 ASN 83 2HD2 ASN 83 11.615 3.314 -8.111 640 H ASN 83 H ASN 83 14.039 4.389 -3.869 641 HA ASN 83 HA ASN 83 13.668 6.883 -5.390 642 1HB ARG 84 2HB ARG 84 8.321 7.805 -3.581 643 2HB ARG 84 1HB ARG 84 9.969 7.977 -2.990 644 1HG ARG 84 2HG ARG 84 9.373 9.174 -5.625 645 2HG ARG 84 1HG ARG 84 8.645 9.941 -4.214 646 1HD ARG 84 2HD ARG 84 10.609 11.063 -4.192 647 2HD ARG 84 1HD ARG 84 11.138 9.639 -3.297 648 1HH1 ARG 84 1HH1 ARG 84 12.458 11.734 -3.916 649 2HH1 ARG 84 2HH1 ARG 84 13.939 12.050 -4.758 650 1HH2 ARG 84 1HH2 ARG 84 13.585 9.376 -6.981 651 2HH2 ARG 84 2HH2 ARG 84 14.579 10.710 -6.499 652 H ARG 84 H ARG 84 11.721 7.648 -4.859 653 HA ARG 84 HA ARG 84 9.516 5.863 -4.277 654 HE ARG 84 HE ARG 84 11.635 8.968 -5.867 655 1HB SER 85 2HB SER 85 11.105 7.151 -9.007 656 2HB SER 85 1HB SER 85 10.223 6.444 -10.362 657 H SER 85 H SER 85 10.631 5.971 -7.009 658 HA SER 85 HA SER 85 8.254 6.935 -8.457 659 HG SER 85 HG SER 85 8.840 8.516 -9.386 660 1HB GLU 86 2HB GLU 86 7.683 1.712 -6.550 661 2HB GLU 86 1HB GLU 86 8.868 0.761 -7.436 662 1HG GLU 86 2HG GLU 86 10.653 2.155 -6.671 663 2HG GLU 86 1HG GLU 86 9.516 3.287 -5.939 664 H GLU 86 H GLU 86 8.798 4.303 -7.075 665 HA GLU 86 HA GLU 86 9.085 2.331 -9.113 666 1HB ARG 87 2HB ARG 87 5.729 -0.611 -11.086 667 2HB ARG 87 1HB ARG 87 4.381 0.382 -11.619 668 1HG ARG 87 2HG ARG 87 6.118 2.203 -12.048 669 2HG ARG 87 1HG ARG 87 7.316 0.919 -11.885 670 1HD ARG 87 2HD ARG 87 4.990 0.563 -13.724 671 2HD ARG 87 1HD ARG 87 6.374 1.529 -14.236 672 1HH1 ARG 87 2HH1 ARG 87 7.877 1.488 -15.012 673 2HH1 ARG 87 1HH1 ARG 87 9.139 0.601 -15.800 674 1HH2 ARG 87 1HH2 ARG 87 8.092 -2.514 -14.603 675 2HH2 ARG 87 2HH2 ARG 87 9.262 -1.675 -15.567 676 H ARG 87 H ARG 87 7.281 0.578 -9.263 677 HA ARG 87 HA ARG 87 4.762 1.977 -9.869 678 HE ARG 87 HE ARG 87 6.436 -1.336 -13.571 679 1HB TRP 88 2HB TRP 88 3.967 1.129 -5.360 680 2HB TRP 88 1HB TRP 88 2.997 -0.216 -4.774 681 H TRP 88 H TRP 88 3.843 1.695 -7.829 682 HA TRP 88 HA TRP 88 3.084 -1.082 -7.201 683 HD1 TRP 88 HD1 TRP 88 6.402 0.764 -4.770 684 HE1 TRP 88 HE1 TRP 88 8.013 -1.240 -4.671 685 HE3 TRP 88 HE3 TRP 88 3.157 -2.942 -6.124 686 HZ2 TRP 88 HZ2 TRP 88 7.912 -4.033 -5.099 687 HZ3 TRP 88 HZ3 TRP 88 3.993 -5.252 -6.257 688 HH2 TRP 88 HH2 TRP 88 6.322 -5.784 -5.758 689 1HB ASP 89 2HB ASP 89 -0.608 -1.021 -4.402 690 2HB ASP 89 1HB ASP 89 -2.030 0.020 -4.416 691 H ASP 89 H ASP 89 1.558 0.079 -4.885 692 HA ASP 89 HA ASP 89 -0.709 1.209 -6.388 693 H ALA 90 H ALA 90 -2.023 1.148 -3.567 694 HA ALA 90 HA ALA 90 -0.550 3.050 -2.036 695 1HB ALA 90 2HB ALA 90 -1.132 4.679 -3.601 696 2HB ALA 90 3HB ALA 90 -2.323 4.873 -2.313 697 3HB ALA 90 1HB ALA 90 -2.763 4.036 -3.803 698 1HB TYR 91 2HB TYR 91 -0.962 1.496 1.969 699 2HB TYR 91 1HB TYR 91 -2.403 1.192 2.933 700 H TYR 91 H TYR 91 -1.017 2.383 -0.062 701 HA TYR 91 HA TYR 91 -3.565 1.158 0.547 702 HD1 TYR 91 HD1 TYR 91 -3.934 -0.757 1.676 703 HD2 TYR 91 HD2 TYR 91 0.303 -0.392 1.618 704 HE1 TYR 91 HE1 TYR 91 -3.740 -3.163 1.217 705 HE2 TYR 91 HE2 TYR 91 0.510 -2.797 1.158 706 HH TYR 91 HH TYR 91 -1.879 -4.972 1.625 707 1HB CYS 92 2HB CYS 92 -6.677 4.095 -0.047 708 2HB CYS 92 1HB CYS 92 -7.276 5.253 1.135 709 H CYS 92 H CYS 92 -4.739 3.172 0.033 710 HA CYS 92 HA CYS 92 -4.563 5.569 1.353 711 1HB TYR 93 2HB TYR 93 -4.686 4.623 5.549 712 2HB TYR 93 1HB TYR 93 -4.716 6.367 5.797 713 H TYR 93 H TYR 93 -5.989 6.476 3.028 714 HA TYR 93 HA TYR 93 -7.120 4.713 4.990 715 HD1 TYR 93 HD1 TYR 93 -6.921 7.014 7.378 716 HD2 TYR 93 HD2 TYR 93 -4.629 3.433 7.517 717 HE1 TYR 93 HE1 TYR 93 -7.620 6.669 9.711 718 HE2 TYR 93 HE2 TYR 93 -5.319 3.075 9.848 719 HH TYR 93 HH TYR 93 -6.566 3.806 11.535 720 1HB ASN 94 2HB ASN 94 -9.252 8.649 4.022 721 2HB ASN 94 1HB ASN 94 -10.611 7.545 4.207 722 1HD2 ASN 94 1HD2 ASN 94 -9.503 10.769 4.485 723 2HD2 ASN 94 2HD2 ASN 94 -11.002 11.474 4.977 724 H ASN 94 H ASN 94 -8.863 5.715 5.708 725 HA ASN 94 HA ASN 94 -8.793 8.509 6.423 726 1HB PRO 95 2HB PRO 95 -12.031 8.920 10.774 727 2HB PRO 95 1HB PRO 95 -10.563 7.982 11.061 728 1HG PRO 95 2HG PRO 95 -10.963 10.410 9.365 729 2HG PRO 95 1HG PRO 95 -9.608 9.998 10.431 730 1HD PRO 95 2HD PRO 95 -9.449 9.717 7.763 731 2HD PRO 95 1HD PRO 95 -8.648 8.585 8.872 732 HA PRO 95 HA PRO 95 -11.408 6.573 9.475 733 1HB HIS 96 2HB HIS 96 -13.557 10.890 6.786 734 2HB HIS 96 1HB HIS 96 -15.099 10.631 5.976 735 H HIS 96 H HIS 96 -12.262 8.973 7.165 736 HA HIS 96 HA HIS 96 -15.122 8.579 7.752 737 HD1 HIS 96 HD1 HIS 96 -17.252 10.663 7.543 738 HD2 HIS 96 HD2 HIS 96 -13.728 12.009 9.286 739 HE1 HIS 96 HE1 HIS 96 -17.957 11.909 9.611 740 HE2 HIS 96 HE2 HIS 96 -15.813 12.767 10.617 741 H ALA 97 H ALA 97 -12.883 7.199 5.968 742 HA ALA 97 HA ALA 97 -14.151 7.250 3.369 743 1HB ALA 97 1HB ALA 97 -12.310 5.168 3.376 744 2HB ALA 97 3HB ALA 97 -12.044 6.811 2.796 745 3HB ALA 97 2HB ALA 97 -11.612 6.381 4.450 746 1HB LYS 98 2HB LYS 98 -16.503 4.279 2.889 747 2HB LYS 98 1HB LYS 98 -16.841 2.760 3.708 748 1HG LYS 98 2HG LYS 98 -19.045 2.993 3.467 749 2HG LYS 98 1HG LYS 98 -19.007 4.692 3.944 750 1HD LYS 98 2HD LYS 98 -17.905 3.987 1.279 751 2HD LYS 98 1HD LYS 98 -19.656 3.924 1.482 752 1HE LYS 98 2HE LYS 98 -19.738 6.126 1.219 753 2HE LYS 98 1HE LYS 98 -18.787 6.313 2.692 754 H LYS 98 H LYS 98 -16.051 6.459 5.081 755 HA LYS 98 HA LYS 98 -17.622 4.859 5.455 756 1HZ LYS 98 2HZ LYS 98 -16.771 6.133 1.347 757 2HZ LYS 98 1HZ LYS 98 -17.707 6.016 -0.058 758 3HZ LYS 98 3HZ LYS 98 -17.729 7.439 0.859 No H/Q in entry = 758 Start of MODEL 3 1 1HA GLY 1 2HA GLY 1 -10.308 1.962 8.085 2 2HA GLY 1 1HA GLY 1 -8.960 2.697 8.939 3 H1 GLY 1 1H GLY 1 -10.889 4.297 7.366 4 H2 GLY 1 3H GLY 1 -11.133 3.933 9.000 5 H3 GLY 1 2H GLY 1 -9.786 4.840 8.527 6 H VAL 2 H VAL 2 -7.342 1.786 7.728 7 HA VAL 2 HA VAL 2 -6.683 3.096 5.287 8 HB VAL 2 HB VAL 2 -4.815 2.509 6.548 9 1HG1 VAL 2 1HG1 VAL 2 -6.387 0.144 7.199 10 2HG1 VAL 2 3HG1 VAL 2 -4.680 -0.210 6.930 11 3HG1 VAL 2 2HG1 VAL 2 -5.153 0.980 8.143 12 1HG2 VAL 2 1HG2 VAL 2 -5.061 1.509 4.005 13 2HG2 VAL 2 3HG2 VAL 2 -3.559 1.625 4.922 14 3HG2 VAL 2 2HG2 VAL 2 -4.473 0.117 4.914 15 1HB TYR 3 2HB TYR 3 -9.332 0.781 0.868 16 2HB TYR 3 1HB TYR 3 -9.888 0.936 2.528 17 H TYR 3 H TYR 3 -6.918 2.458 3.219 18 HA TYR 3 HA TYR 3 -7.884 -0.265 2.709 19 HD1 TYR 3 HD1 TYR 3 -8.474 3.196 3.600 20 HD2 TYR 3 HD2 TYR 3 -9.982 2.627 -0.336 21 HE1 TYR 3 HE1 TYR 3 -8.647 5.633 3.322 22 HE2 TYR 3 HE2 TYR 3 -10.157 5.062 -0.627 23 HH TYR 3 HH TYR 3 -9.074 7.298 1.904 24 1HB HIS 4 2HB HIS 4 -4.603 -1.934 -0.846 25 2HB HIS 4 1HB HIS 4 -6.202 -2.450 -0.325 26 H HIS 4 H HIS 4 -7.724 -0.849 0.365 27 HA HIS 4 HA HIS 4 -5.201 0.213 -0.702 28 HD1 HIS 4 HD1 HIS 4 -7.937 -3.001 -2.215 29 HD2 HIS 4 HD2 HIS 4 -4.083 -2.210 -3.551 30 HE1 HIS 4 HE1 HIS 4 -7.872 -3.809 -4.595 31 HE2 HIS 4 HE2 HIS 4 -5.504 -3.400 -5.355 32 1HB ARG 5 2HB ARG 5 -6.193 3.327 -3.561 33 2HB ARG 5 1HB ARG 5 -7.120 3.208 -5.050 34 1HG ARG 5 2HG ARG 5 -8.248 2.156 -2.490 35 2HG ARG 5 1HG ARG 5 -8.310 3.882 -2.857 36 1HD ARG 5 2HD ARG 5 -9.269 3.062 -5.145 37 2HD ARG 5 1HD ARG 5 -9.646 1.597 -4.239 38 1HH1 ARG 5 1HH1 ARG 5 -11.028 0.823 -3.776 39 2HH1 ARG 5 2HH1 ARG 5 -12.645 0.823 -3.156 40 1HH2 ARG 5 2HH2 ARG 5 -12.783 4.287 -2.707 41 2HH2 ARG 5 1HH2 ARG 5 -13.642 2.792 -2.549 42 H ARG 5 H ARG 5 -5.039 0.950 -2.759 43 HA ARG 5 HA ARG 5 -7.319 0.713 -4.564 44 HE ARG 5 HE ARG 5 -10.650 4.275 -3.519 45 1HB GLU 6 2HB GLU 6 -6.068 0.078 -8.311 46 2HB GLU 6 1HB GLU 6 -5.422 1.066 -9.613 47 1HG GLU 6 2HG GLU 6 -4.392 -1.083 -9.699 48 2HG GLU 6 1HG GLU 6 -3.188 0.095 -9.179 49 H GLU 6 H GLU 6 -6.671 2.016 -6.692 50 HA GLU 6 HA GLU 6 -3.837 1.468 -7.262 51 H ALA 7 H ALA 7 -3.766 2.247 -9.876 52 HA ALA 7 HA ALA 7 -3.734 5.091 -9.621 53 1HB ALA 7 3HB ALA 7 -3.460 4.057 -12.336 54 2HB ALA 7 1HB ALA 7 -2.391 3.273 -11.173 55 3HB ALA 7 2HB ALA 7 -2.345 5.025 -11.372 56 1HB ARG 8 2HB ARG 8 -5.245 6.796 -14.001 57 2HB ARG 8 1HB ARG 8 -6.950 6.938 -14.407 58 1HG ARG 8 2HG ARG 8 -6.523 8.652 -12.228 59 2HG ARG 8 1HG ARG 8 -5.171 8.902 -13.332 60 1HD ARG 8 2HD ARG 8 -8.110 9.153 -13.923 61 2HD ARG 8 1HD ARG 8 -6.887 10.421 -13.967 62 1HH1 ARG 8 1HH1 ARG 8 -8.034 11.287 -15.331 63 2HH1 ARG 8 2HH1 ARG 8 -8.120 11.645 -17.024 64 1HH2 ARG 8 1HH2 ARG 8 -6.484 8.721 -18.021 65 2HH2 ARG 8 2HH2 ARG 8 -7.239 10.186 -18.553 66 H ARG 8 H ARG 8 -4.508 6.124 -11.993 67 HA ARG 8 HA ARG 8 -7.159 6.698 -11.737 68 HE ARG 8 HE ARG 8 -6.374 8.260 -15.790 69 1HB SER 9 2HB SER 9 -9.093 2.529 -15.329 70 2HB SER 9 1HB SER 9 -8.520 4.194 -15.229 71 H SER 9 H SER 9 -5.739 4.056 -13.613 72 HA SER 9 HA SER 9 -8.031 2.413 -13.298 73 HG SER 9 HG SER 9 -7.660 2.105 -16.851 74 1HA GLY 10 2HA GLY 10 -3.299 1.311 -14.502 75 2HA GLY 10 1HA GLY 10 -4.527 0.087 -14.787 76 H GLY 10 H GLY 10 -5.031 2.494 -13.145 77 1HB LYS 11 2HB LYS 11 -3.903 -3.293 -12.491 78 2HB LYS 11 1HB LYS 11 -2.229 -3.740 -12.794 79 1HG LYS 11 2HG LYS 11 -1.944 -4.605 -10.730 80 2HG LYS 11 1HG LYS 11 -2.982 -3.400 -9.964 81 1HD LYS 11 2HD LYS 11 -4.957 -4.556 -10.881 82 2HD LYS 11 1HD LYS 11 -3.895 -5.788 -11.566 83 1HE LYS 11 2HE LYS 11 -3.871 -5.142 -8.637 84 2HE LYS 11 1HE LYS 11 -5.027 -6.285 -9.320 85 H LYS 11 H LYS 11 -2.746 -1.290 -13.931 86 HA LYS 11 HA LYS 11 -2.917 -1.433 -10.996 87 1HZ LYS 11 1HZ LYS 11 -3.079 -7.502 -10.249 88 2HZ LYS 11 3HZ LYS 11 -2.070 -6.491 -9.341 89 3HZ LYS 11 2HZ LYS 11 -3.168 -7.513 -8.560 90 1HB TYR 12 2HB TYR 12 1.275 -3.531 -11.509 91 2HB TYR 12 1HB TYR 12 2.704 -3.016 -10.619 92 H TYR 12 H TYR 12 -1.054 -1.956 -9.811 93 HA TYR 12 HA TYR 12 1.141 -1.483 -9.300 94 HD1 TYR 12 HD1 TYR 12 1.861 -2.868 -7.874 95 HD2 TYR 12 HD2 TYR 12 0.725 -5.673 -10.864 96 HE1 TYR 12 HE1 TYR 12 1.391 -4.528 -6.124 97 HE2 TYR 12 HE2 TYR 12 0.245 -7.342 -9.122 98 HH TYR 12 HH TYR 12 -0.413 -6.948 -6.326 99 1HB LYS 13 2HB LYS 13 1.622 2.310 -13.927 100 2HB LYS 13 1HB LYS 13 1.015 0.678 -13.685 101 1HG LYS 13 2HG LYS 13 -1.006 1.453 -12.766 102 2HG LYS 13 1HG LYS 13 -0.374 3.086 -12.555 103 1HD LYS 13 2HD LYS 13 -0.064 2.684 -15.245 104 2HD LYS 13 1HD LYS 13 -1.564 1.819 -14.907 105 1HE LYS 13 2HE LYS 13 -2.706 3.713 -14.618 106 2HE LYS 13 1HE LYS 13 -1.456 4.397 -13.577 107 H LYS 13 H LYS 13 0.503 0.723 -10.457 108 HA LYS 13 HA LYS 13 2.808 1.406 -12.072 109 1HZ LYS 13 1HZ LYS 13 -0.302 4.534 -15.997 110 2HZ LYS 13 3HZ LYS 13 -1.925 4.796 -16.398 111 3HZ LYS 13 2HZ LYS 13 -1.158 5.801 -15.274 112 1HB LEU 14 2HB LEU 14 0.157 2.832 -7.795 113 2HB LEU 14 1HB LEU 14 0.582 4.378 -7.086 114 H LEU 14 H LEU 14 1.375 2.024 -9.440 115 HA LEU 14 HA LEU 14 0.945 4.900 -9.733 116 HG LEU 14 HG LEU 14 -1.645 3.761 -9.007 117 1HD1 LEU 14 2HD1 LEU 14 -1.400 4.185 -6.188 118 2HD1 LEU 14 1HD1 LEU 14 -2.418 5.441 -6.895 119 3HD1 LEU 14 3HD1 LEU 14 -2.823 3.740 -7.131 120 1HD2 LEU 14 3HD2 LEU 14 -0.076 6.168 -8.881 121 2HD2 LEU 14 2HD2 LEU 14 -1.410 5.752 -9.957 122 3HD2 LEU 14 1HD2 LEU 14 -1.738 6.482 -8.385 123 H THR 15 H THR 15 2.143 6.447 -8.670 124 HA THR 15 HA THR 15 4.773 5.552 -7.719 125 HB THR 15 HB THR 15 5.583 7.781 -8.169 126 HG1 THR 15 HG1 THR 15 4.223 9.433 -8.775 127 1HG2 THR 15 1HG2 THR 15 4.614 6.039 -10.130 128 2HG2 THR 15 3HG2 THR 15 4.119 7.649 -10.652 129 3HG2 THR 15 2HG2 THR 15 5.820 7.309 -10.336 130 1HB TYR 16 2HB TYR 16 6.506 7.679 -3.878 131 2HB TYR 16 1HB TYR 16 6.325 9.334 -4.452 132 H TYR 16 H TYR 16 5.443 7.936 -6.341 133 HA TYR 16 HA TYR 16 4.052 7.428 -3.852 134 HD1 TYR 16 HD1 TYR 16 5.180 7.155 -1.640 135 HD2 TYR 16 HD2 TYR 16 6.382 11.038 -2.896 136 HE1 TYR 16 HE1 TYR 16 5.045 7.939 0.683 137 HE2 TYR 16 HE2 TYR 16 6.251 11.835 -0.573 138 HH TYR 16 HH TYR 16 5.546 11.338 1.508 139 H ALA 17 H ALA 17 4.847 10.354 -5.724 140 HA ALA 17 HA ALA 17 3.146 12.088 -4.326 141 1HB ALA 17 3HB ALA 17 4.991 12.787 -5.832 142 2HB ALA 17 2HB ALA 17 3.991 12.323 -7.209 143 3HB ALA 17 1HB ALA 17 3.473 13.629 -6.143 144 1HB GLU 18 2HB GLU 18 1.431 8.356 -8.308 145 2HB GLU 18 1HB GLU 18 -0.220 8.656 -8.834 146 1HG GLU 18 2HG GLU 18 0.415 10.406 -10.235 147 2HG GLU 18 1HG GLU 18 1.979 10.593 -9.443 148 H GLU 18 H GLU 18 2.564 9.867 -6.953 149 HA GLU 18 HA GLU 18 -0.012 10.919 -7.648 150 H ALA 19 H ALA 19 1.124 8.075 -5.851 151 HA ALA 19 HA ALA 19 -1.339 7.001 -5.155 152 1HB ALA 19 1HB ALA 19 0.129 5.508 -4.396 153 2HB ALA 19 2HB ALA 19 0.288 6.521 -2.961 154 3HB ALA 19 3HB ALA 19 1.412 6.717 -4.307 155 1HB LYS 20 2HB LYS 20 1.285 10.821 -1.893 156 2HB LYS 20 1HB LYS 20 0.398 12.138 -2.644 157 1HG LYS 20 2HG LYS 20 -0.418 12.916 -0.637 158 2HG LYS 20 1HG LYS 20 -0.237 11.353 0.162 159 1HD LYS 20 2HD LYS 20 2.106 11.612 0.351 160 2HD LYS 20 1HD LYS 20 2.117 12.980 -0.764 161 1HE LYS 20 2HE LYS 20 2.182 14.189 1.138 162 2HE LYS 20 1HE LYS 20 0.439 13.921 1.120 163 H LYS 20 H LYS 20 0.513 9.585 -3.645 164 HA LYS 20 HA LYS 20 -1.046 9.859 -1.331 165 1HZ LYS 20 3HZ LYS 20 1.828 11.762 2.360 166 2HZ LYS 20 2HZ LYS 20 2.170 13.232 3.123 167 3HZ LYS 20 1HZ LYS 20 0.568 12.716 2.963 168 H ALA 21 H ALA 21 -1.065 11.674 -4.387 169 HA ALA 21 HA ALA 21 -3.240 13.344 -3.750 170 1HB ALA 21 2HB ALA 21 -3.114 14.112 -5.913 171 2HB ALA 21 1HB ALA 21 -1.502 13.424 -5.716 172 3HB ALA 21 3HB ALA 21 -2.748 12.518 -6.574 173 H VAL 22 H VAL 22 -3.097 10.261 -5.510 174 HA VAL 22 HA VAL 22 -5.753 10.006 -6.233 175 HB VAL 22 HB VAL 22 -3.519 8.140 -5.741 176 1HG1 VAL 22 3HG1 VAL 22 -6.373 7.181 -5.753 177 2HG1 VAL 22 2HG1 VAL 22 -4.948 6.152 -5.893 178 3HG1 VAL 22 1HG1 VAL 22 -5.233 7.067 -4.412 179 1HG2 VAL 22 3HG2 VAL 22 -4.012 9.079 -7.944 180 2HG2 VAL 22 2HG2 VAL 22 -4.161 7.321 -7.942 181 3HG2 VAL 22 1HG2 VAL 22 -5.608 8.330 -7.908 182 1HB CYS 23 2HB CYS 23 -3.735 9.269 -1.057 183 2HB CYS 23 1HB CYS 23 -4.954 9.049 0.191 184 H CYS 23 H CYS 23 -4.160 9.361 -3.179 185 HA CYS 23 HA CYS 23 -6.376 8.150 -1.874 186 1HB GLU 24 2HB GLU 24 -4.476 13.325 -1.236 187 2HB GLU 24 1HB GLU 24 -5.766 14.474 -1.562 188 1HG GLU 24 2HG GLU 24 -6.075 14.801 0.842 189 2HG GLU 24 1HG GLU 24 -4.773 13.655 1.160 190 H GLU 24 H GLU 24 -4.858 11.314 -1.394 191 HA GLU 24 HA GLU 24 -6.758 12.478 0.226 192 1HB PHE 25 2HB PHE 25 -7.485 13.175 -5.348 193 2HB PHE 25 1HB PHE 25 -8.030 11.504 -5.435 194 H PHE 25 H PHE 25 -6.985 11.747 -3.127 195 HA PHE 25 HA PHE 25 -9.185 13.595 -3.580 196 HD1 PHE 25 HD1 PHE 25 -8.953 15.000 -6.096 197 HD2 PHE 25 HD2 PHE 25 -10.036 10.912 -6.572 198 HE1 PHE 25 HE1 PHE 25 -10.667 15.649 -7.738 199 HE2 PHE 25 HE2 PHE 25 -11.751 11.553 -8.215 200 HZ PHE 25 HZ PHE 25 -12.068 13.924 -8.800 201 1HB GLU 26 2HB GLU 26 -8.950 7.981 -2.770 202 2HB GLU 26 1HB GLU 26 -10.534 7.245 -2.593 203 1HG GLU 26 2HG GLU 26 -10.949 7.907 -5.008 204 2HG GLU 26 1HG GLU 26 -9.220 8.246 -5.095 205 H GLU 26 H GLU 26 -8.646 10.232 -2.883 206 HA GLU 26 HA GLU 26 -11.420 9.539 -3.448 207 1HA GLY 27 1HA GLY 27 -12.253 10.310 0.800 208 2HA GLY 27 2HA GLY 27 -11.224 11.727 0.959 209 H GLY 27 H GLY 27 -10.413 11.297 -1.158 210 1HA GLY 28 2HA GLY 28 -8.177 8.614 2.406 211 2HA GLY 28 1HA GLY 28 -8.344 9.907 3.588 212 H GLY 28 H GLY 28 -8.800 11.111 1.162 213 1HB HIS 29 2HB HIS 29 -2.767 10.841 3.619 214 2HB HIS 29 1HB HIS 29 -4.263 11.748 3.416 215 H HIS 29 H HIS 29 -5.943 8.665 3.382 216 HA HIS 29 HA HIS 29 -4.231 10.216 1.619 217 HD1 HIS 29 HD1 HIS 29 -6.037 11.523 5.234 218 HD2 HIS 29 HD2 HIS 29 -2.734 9.073 5.831 219 HE1 HIS 29 HE1 HIS 29 -6.269 10.640 7.577 220 HE2 HIS 29 HE2 HIS 29 -4.306 9.091 7.885 221 1HB LEU 30 2HB LEU 30 0.345 8.992 2.130 222 2HB LEU 30 1HB LEU 30 0.874 7.324 2.107 223 H LEU 30 H LEU 30 -1.851 9.573 2.050 224 HA LEU 30 HA LEU 30 -1.639 6.782 1.715 225 HG LEU 30 HG LEU 30 -0.437 8.851 -0.139 226 1HD1 LEU 30 1HD1 LEU 30 2.104 8.980 0.471 227 2HD1 LEU 30 3HD1 LEU 30 2.161 7.399 -0.310 228 3HD1 LEU 30 2HD1 LEU 30 1.594 8.806 -1.209 229 1HD2 LEU 30 1HD2 LEU 30 -0.541 6.051 0.419 230 2HD2 LEU 30 3HD2 LEU 30 -1.213 6.940 -0.947 231 3HD2 LEU 30 2HD2 LEU 30 0.439 6.328 -1.020 232 H ALA 31 H ALA 31 -2.146 5.429 3.329 233 HA ALA 31 HA ALA 31 -2.033 5.948 6.054 234 1HB ALA 31 2HB ALA 31 -2.219 3.490 4.413 235 2HB ALA 31 1HB ALA 31 -1.805 3.309 6.119 236 3HB ALA 31 3HB ALA 31 -3.306 4.113 5.655 237 H THR 32 H THR 32 -0.692 3.918 7.288 238 HA THR 32 HA THR 32 2.139 4.375 6.638 239 HB THR 32 HB THR 32 2.684 5.171 8.672 240 HG1 THR 32 HG1 THR 32 2.090 4.195 10.508 241 1HG2 THR 32 1HG2 THR 32 -0.237 5.737 8.403 242 2HG2 THR 32 3HG2 THR 32 0.630 6.271 9.844 243 3HG2 THR 32 2HG2 THR 32 1.135 6.835 8.251 244 1HB TYR 33 2HB TYR 33 5.258 1.193 7.677 245 2HB TYR 33 1HB TYR 33 4.885 1.020 9.386 246 H TYR 33 H TYR 33 3.589 2.827 7.816 247 HA TYR 33 HA TYR 33 2.972 0.194 7.204 248 HD1 TYR 33 HD1 TYR 33 5.579 -0.809 6.269 249 HD2 TYR 33 HD2 TYR 33 4.941 -1.118 10.465 250 HE1 TYR 33 HE1 TYR 33 6.402 -3.126 6.219 251 HE2 TYR 33 HE2 TYR 33 5.763 -3.435 10.426 252 HH TYR 33 HH TYR 33 6.521 -5.100 9.172 253 1HB LYS 34 2HB LYS 34 2.992 1.798 12.762 254 2HB LYS 34 1HB LYS 34 1.390 2.433 12.423 255 1HG LYS 34 2HG LYS 34 0.440 0.785 13.995 256 2HG LYS 34 1HG LYS 34 2.077 0.249 14.377 257 1HD LYS 34 2HD LYS 34 1.232 3.119 14.662 258 2HD LYS 34 1HD LYS 34 0.998 1.943 15.956 259 1HE LYS 34 2HE LYS 34 3.483 1.429 15.709 260 2HE LYS 34 1HE LYS 34 3.574 2.905 14.746 261 H LYS 34 H LYS 34 3.061 1.694 10.420 262 HA LYS 34 HA LYS 34 2.171 -0.440 11.925 263 1HZ LYS 34 1HZ LYS 34 2.379 2.927 17.445 264 2HZ LYS 34 3HZ LYS 34 4.053 3.054 17.237 265 3HZ LYS 34 2HZ LYS 34 3.027 4.216 16.562 266 1HB GLN 35 2HB GLN 35 -1.679 2.391 8.423 267 2HB GLN 35 1HB GLN 35 -3.162 2.516 9.352 268 1HG GLN 35 2HG GLN 35 -1.743 3.717 11.108 269 2HG GLN 35 1HG GLN 35 -0.538 3.866 9.830 270 1HE2 GLN 35 1HE2 GLN 35 -3.002 5.409 11.317 271 2HE2 GLN 35 2HE2 GLN 35 -3.475 6.498 10.060 272 H GLN 35 H GLN 35 0.237 2.060 10.303 273 HA GLN 35 HA GLN 35 -2.283 1.181 11.119 274 1HB LEU 36 2HB LEU 36 0.813 -1.005 7.091 275 2HB LEU 36 1HB LEU 36 0.495 -2.719 6.917 276 H LEU 36 H LEU 36 -0.162 0.105 8.543 277 HA LEU 36 HA LEU 36 -2.029 -1.510 7.166 278 HG LEU 36 HG LEU 36 0.649 -1.691 4.734 279 1HD1 LEU 36 2HD1 LEU 36 -1.527 -3.204 5.653 280 2HD1 LEU 36 1HD1 LEU 36 -2.197 -1.986 4.567 281 3HD1 LEU 36 3HD1 LEU 36 -0.925 -3.069 4.000 282 1HD2 LEU 36 1HD2 LEU 36 -0.662 0.463 5.987 283 2HD2 LEU 36 3HD2 LEU 36 -0.069 0.366 4.329 284 3HD2 LEU 36 2HD2 LEU 36 -1.727 -0.107 4.702 285 1HB GLU 37 2HB GLU 37 1.350 -3.427 11.493 286 2HB GLU 37 1HB GLU 37 0.014 -2.755 12.410 287 1HG GLU 37 2HG GLU 37 -0.516 -5.233 12.957 288 2HG GLU 37 1HG GLU 37 1.164 -5.503 12.491 289 H GLU 37 H GLU 37 -0.035 -2.000 9.985 290 HA GLU 37 HA GLU 37 -0.251 -4.801 10.199 291 H ALA 38 H ALA 38 -2.018 -2.240 11.898 292 HA ALA 38 HA ALA 38 -3.877 -3.794 13.231 293 1HB ALA 38 1HB ALA 38 -3.559 -1.358 13.560 294 2HB ALA 38 2HB ALA 38 -5.254 -1.814 13.380 295 3HB ALA 38 3HB ALA 38 -4.391 -1.073 12.031 296 H ALA 39 H ALA 39 -3.738 -2.825 9.898 297 HA ALA 39 HA ALA 39 -6.416 -3.552 9.211 298 1HB ALA 39 3HB ALA 39 -4.020 -3.312 7.394 299 2HB ALA 39 1HB ALA 39 -5.031 -1.958 7.901 300 3HB ALA 39 2HB ALA 39 -5.719 -3.256 6.924 301 1HB ARG 40 2HB ARG 40 -1.736 -6.769 8.444 302 2HB ARG 40 1HB ARG 40 -1.976 -7.284 10.109 303 1HG ARG 40 2HG ARG 40 -2.144 -9.547 9.496 304 2HG ARG 40 1HG ARG 40 -2.352 -9.151 7.790 305 1HD ARG 40 2HD ARG 40 -0.144 -8.964 7.437 306 2HD ARG 40 1HD ARG 40 0.127 -8.130 8.964 307 1HH1 ARG 40 2HH1 ARG 40 1.860 -8.337 9.311 308 2HH1 ARG 40 1HH1 ARG 40 3.090 -9.269 10.097 309 1HH2 ARG 40 2HH2 ARG 40 1.260 -12.247 10.070 310 2HH2 ARG 40 1HH2 ARG 40 2.749 -11.491 10.529 311 H ARG 40 H ARG 40 -3.359 -5.186 9.442 312 HA ARG 40 HA ARG 40 -4.093 -7.517 7.966 313 HE ARG 40 HE ARG 40 -0.354 -11.012 9.035 314 1HB LYS 41 2HB LYS 41 -6.210 -6.348 13.234 315 2HB LYS 41 1HB LYS 41 -5.832 -7.665 14.335 316 1HG LYS 41 2HG LYS 41 -3.374 -7.147 13.755 317 2HG LYS 41 1HG LYS 41 -4.006 -5.612 13.156 318 1HD LYS 41 2HD LYS 41 -4.181 -4.811 15.224 319 2HD LYS 41 1HD LYS 41 -5.120 -6.215 15.740 320 1HE LYS 41 2HE LYS 41 -2.499 -7.138 15.499 321 2HE LYS 41 1HE LYS 41 -2.359 -5.554 16.259 322 H LYS 41 H LYS 41 -4.281 -6.533 11.325 323 HA LYS 41 HA LYS 41 -4.784 -8.927 12.587 324 1HZ LYS 41 3HZ LYS 41 -3.957 -6.264 17.934 325 2HZ LYS 41 2HZ LYS 41 -4.067 -7.788 17.210 326 3HZ LYS 41 1HZ LYS 41 -2.611 -7.289 17.909 327 1HG1 ILE 42 2HG1 ILE 42 -8.833 -5.305 8.780 328 2HG1 ILE 42 1HG1 ILE 42 -8.165 -6.896 8.428 329 H ILE 42 H ILE 42 -6.965 -6.951 10.664 330 HA ILE 42 HA ILE 42 -9.257 -8.597 11.309 331 HB ILE 42 HB ILE 42 -10.564 -7.122 10.032 332 1HG2 ILE 42 2HG2 ILE 42 -9.413 -6.199 12.120 333 2HG2 ILE 42 1HG2 ILE 42 -8.411 -5.273 11.003 334 3HG2 ILE 42 3HG2 ILE 42 -10.159 -5.041 11.018 335 1HD1 ILE 42 2HD1 ILE 42 -11.059 -6.707 8.070 336 2HD1 ILE 42 1HD1 ILE 42 -10.116 -5.672 6.998 337 3HD1 ILE 42 3HD1 ILE 42 -9.822 -7.411 7.027 338 1HA GLY 43 1HA GLY 43 -8.250 -10.462 7.308 339 2HA GLY 43 2HA GLY 43 -6.513 -10.451 7.576 340 H GLY 43 H GLY 43 -6.883 -8.290 8.771 341 1HB PHE 44 2HB PHE 44 -6.182 -5.537 6.264 342 2HB PHE 44 1HB PHE 44 -4.558 -5.852 5.666 343 H PHE 44 H PHE 44 -5.847 -7.859 7.000 344 HA PHE 44 HA PHE 44 -6.935 -7.180 4.396 345 HD1 PHE 44 HD1 PHE 44 -7.212 -5.952 3.228 346 HD2 PHE 44 HD2 PHE 44 -4.433 -3.415 5.211 347 HE1 PHE 44 HE1 PHE 44 -7.533 -4.245 1.485 348 HE2 PHE 44 HE2 PHE 44 -4.747 -1.702 3.472 349 HZ PHE 44 HZ PHE 44 -6.300 -2.116 1.606 350 1HB HIS 45 2HB HIS 45 -4.462 -11.432 3.260 351 2HB HIS 45 1HB HIS 45 -5.808 -11.083 2.181 352 H HIS 45 H HIS 45 -6.299 -8.975 3.152 353 HA HIS 45 HA HIS 45 -3.413 -9.368 2.802 354 HD1 HIS 45 HD1 HIS 45 -5.685 -12.749 0.363 355 HD2 HIS 45 HD2 HIS 45 -1.939 -11.233 1.322 356 HE1 HIS 45 HE1 HIS 45 -4.096 -13.787 -1.285 357 HE2 HIS 45 HE2 HIS 45 -1.825 -12.920 -0.632 358 H VAL 46 H VAL 46 -2.568 -8.135 1.264 359 HA VAL 46 HA VAL 46 -3.806 -8.146 -1.384 360 HB VAL 46 HB VAL 46 -2.861 -5.591 -0.075 361 1HG1 VAL 46 1HG1 VAL 46 -2.637 -5.946 -2.614 362 2HG1 VAL 46 3HG1 VAL 46 -4.397 -5.822 -2.638 363 3HG1 VAL 46 2HG1 VAL 46 -3.425 -4.476 -2.041 364 1HG2 VAL 46 3HG2 VAL 46 -5.560 -6.812 -0.356 365 2HG2 VAL 46 2HG2 VAL 46 -4.876 -5.876 0.973 366 3HG2 VAL 46 1HG2 VAL 46 -5.403 -5.062 -0.500 367 1HB CYS 47 2HB CYS 47 -0.256 -9.678 -4.719 368 2HB CYS 47 1HB CYS 47 0.741 -10.546 -3.554 369 H CYS 47 H CYS 47 -2.275 -9.050 -2.596 370 HA CYS 47 HA CYS 47 0.499 -8.952 -1.959 371 H ALA 48 H ALA 48 -1.406 -6.579 -3.138 372 HA ALA 48 HA ALA 48 0.561 -5.540 -5.037 373 1HB ALA 48 1HB ALA 48 -2.045 -5.550 -5.347 374 2HB ALA 48 2HB ALA 48 -1.072 -4.191 -5.914 375 3HB ALA 48 3HB ALA 48 -1.949 -4.074 -4.387 376 H ALA 49 H ALA 49 2.225 -4.922 -3.692 377 HA ALA 49 HA ALA 49 2.261 -3.689 -1.297 378 1HB ALA 49 1HB ALA 49 4.408 -3.795 -1.870 379 2HB ALA 49 3HB ALA 49 4.022 -3.757 -3.592 380 3HB ALA 49 2HB ALA 49 4.175 -2.249 -2.688 381 1HA GLY 50 2HA GLY 50 0.209 0.072 -0.571 382 2HA GLY 50 1HA GLY 50 0.687 0.291 -2.248 383 H GLY 50 H GLY 50 1.904 -1.690 -0.427 384 1HB TRP 51 2HB TRP 51 1.757 4.680 -2.460 385 2HB TRP 51 1HB TRP 51 3.248 5.369 -1.823 386 H TRP 51 H TRP 51 1.136 2.478 -1.987 387 HA TRP 51 HA TRP 51 3.755 3.039 -0.906 388 HD1 TRP 51 HD1 TRP 51 1.911 3.273 -4.657 389 HE1 TRP 51 HE1 TRP 51 3.837 2.691 -6.272 390 HE3 TRP 51 HE3 TRP 51 5.864 4.888 -1.839 391 HZ2 TRP 51 HZ2 TRP 51 6.651 2.899 -6.344 392 HZ3 TRP 51 HZ3 TRP 51 8.138 4.662 -2.754 393 HH2 TRP 51 HH2 TRP 51 8.521 3.689 -4.960 394 1HB MET 52 2HB MET 52 2.918 4.486 4.462 395 2HB MET 52 1HB MET 52 1.926 3.515 3.385 396 1HG MET 52 2HG MET 52 3.920 2.409 2.529 397 2HG MET 52 1HG MET 52 4.924 3.393 3.593 398 H MET 52 H MET 52 4.237 4.188 0.880 399 HA MET 52 HA MET 52 2.126 5.604 2.313 400 1HE MET 52 1HE MET 52 5.187 0.328 3.485 401 2HE MET 52 3HE MET 52 4.254 -0.617 4.645 402 3HE MET 52 2HE MET 52 3.486 -0.017 3.176 403 H ALA 53 H ALA 53 3.454 6.180 4.626 404 HA ALA 53 HA ALA 53 4.986 8.366 4.042 405 1HB ALA 53 3HB ALA 53 5.407 8.551 6.285 406 2HB ALA 53 1HB ALA 53 5.695 6.823 6.486 407 3HB ALA 53 2HB ALA 53 4.048 7.427 6.311 408 1HB LYS 54 2HB LYS 54 9.071 7.022 5.538 409 2HB LYS 54 1HB LYS 54 9.405 5.738 4.387 410 1HG LYS 54 2HG LYS 54 11.573 6.223 4.322 411 2HG LYS 54 1HG LYS 54 11.264 7.949 4.131 412 1HD LYS 54 2HD LYS 54 11.842 8.304 6.246 413 2HD LYS 54 1HD LYS 54 10.575 7.202 6.791 414 1HE LYS 54 2HE LYS 54 12.802 5.721 5.743 415 2HE LYS 54 1HE LYS 54 13.350 6.851 6.981 416 H LYS 54 H LYS 54 7.195 8.838 3.966 417 HA LYS 54 HA LYS 54 9.364 8.531 3.357 418 1HZ LYS 54 2HZ LYS 54 11.055 5.700 7.979 419 2HZ LYS 54 1HZ LYS 54 11.921 4.422 7.288 420 3HZ LYS 54 3HZ LYS 54 12.644 5.393 8.471 421 1HA GLY 55 1HA GLY 55 8.480 6.553 -0.478 422 2HA GLY 55 2HA GLY 55 6.741 6.404 -0.291 423 H GLY 55 H GLY 55 7.015 7.410 1.745 424 1HB ARG 56 2HB ARG 56 8.320 3.174 3.844 425 2HB ARG 56 1HB ARG 56 6.608 2.812 3.676 426 1HG ARG 56 2HG ARG 56 6.940 0.549 3.704 427 2HG ARG 56 1HG ARG 56 8.580 0.672 3.064 428 1HD ARG 56 2HD ARG 56 7.790 1.597 5.820 429 2HD ARG 56 1HD ARG 56 8.417 -0.014 5.475 430 1HH1 ARG 56 1HH1 ARG 56 8.902 1.109 7.555 431 2HH1 ARG 56 2HH1 ARG 56 10.322 1.616 8.405 432 1HH2 ARG 56 2HH2 ARG 56 12.121 2.410 5.514 433 2HH2 ARG 56 1HH2 ARG 56 12.153 2.357 7.244 434 H ARG 56 H ARG 56 7.339 4.826 2.262 435 HA ARG 56 HA ARG 56 8.660 2.440 1.487 436 HE ARG 56 HE ARG 56 10.246 1.739 4.403 437 H VAL 57 H VAL 57 7.907 0.560 0.638 438 HA VAL 57 HA VAL 57 5.029 0.383 0.050 439 HB VAL 57 HB VAL 57 5.293 0.173 -2.165 440 1HG1 VAL 57 1HG1 VAL 57 7.805 1.464 -1.249 441 2HG1 VAL 57 3HG1 VAL 57 7.674 1.026 -2.951 442 3HG1 VAL 57 2HG1 VAL 57 6.488 2.111 -2.226 443 1HG2 VAL 57 2HG2 VAL 57 7.762 -1.457 -1.587 444 2HG2 VAL 57 1HG2 VAL 57 6.169 -2.048 -2.064 445 3HG2 VAL 57 3HG2 VAL 57 7.153 -1.137 -3.211 446 1HA GLY 58 2HA GLY 58 5.153 -3.507 1.940 447 2HA GLY 58 1HA GLY 58 5.652 -4.019 0.337 448 H GLY 58 H GLY 58 4.119 -1.603 0.257 449 1HB TYR 59 2HB TYR 59 1.579 -7.632 -0.897 450 2HB TYR 59 1HB TYR 59 1.839 -6.056 -1.638 451 H TYR 59 H TYR 59 4.340 -5.911 0.815 452 HA TYR 59 HA TYR 59 1.462 -5.397 0.525 453 HD1 TYR 59 HD1 TYR 59 4.367 -5.255 -1.696 454 HD2 TYR 59 HD2 TYR 59 3.120 -9.308 -1.277 455 HE1 TYR 59 HE1 TYR 59 6.553 -6.009 -2.524 456 HE2 TYR 59 HE2 TYR 59 5.306 -10.067 -2.106 457 HH TYR 59 HH TYR 59 7.933 -8.454 -2.125 458 1HB PRO 60 2HB PRO 60 -1.125 -7.380 4.396 459 2HB PRO 60 1HB PRO 60 0.194 -7.085 5.527 460 1HG PRO 60 2HG PRO 60 -0.995 -5.103 4.127 461 2HG PRO 60 1HG PRO 60 0.711 -5.051 4.599 462 1HD PRO 60 1HD PRO 60 -0.504 -5.689 1.948 463 2HD PRO 60 2HD PRO 60 0.977 -4.788 2.324 464 HA PRO 60 HA PRO 60 1.714 -8.073 4.157 465 1HG1 ILE 61 2HG1 ILE 61 2.833 -10.518 1.257 466 2HG1 ILE 61 1HG1 ILE 61 2.867 -11.694 -0.052 467 H ILE 61 H ILE 61 1.897 -9.995 2.921 468 HA ILE 61 HA ILE 61 -0.465 -11.127 1.698 469 HB ILE 61 HB ILE 61 2.089 -12.637 2.132 470 1HG2 ILE 61 1HG2 ILE 61 -0.331 -13.150 0.812 471 2HG2 ILE 61 3HG2 ILE 61 0.868 -12.875 -0.451 472 3HG2 ILE 61 2HG2 ILE 61 1.144 -14.116 0.772 473 1HD1 ILE 61 1HD1 ILE 61 0.375 -10.164 0.189 474 2HD1 ILE 61 3HD1 ILE 61 1.806 -9.233 -0.254 475 3HD1 ILE 61 2HD1 ILE 61 1.309 -10.610 -1.239 476 H VAL 62 H VAL 62 -1.639 -12.850 2.400 477 HA VAL 62 HA VAL 62 -0.928 -14.119 4.936 478 HB VAL 62 HB VAL 62 -3.583 -12.780 4.400 479 1HG1 VAL 62 1HG1 VAL 62 -2.959 -15.074 6.014 480 2HG1 VAL 62 3HG1 VAL 62 -3.509 -13.740 7.028 481 3HG1 VAL 62 2HG1 VAL 62 -4.520 -14.314 5.703 482 1HG2 VAL 62 3HG2 VAL 62 -1.193 -11.996 5.823 483 2HG2 VAL 62 2HG2 VAL 62 -2.622 -11.047 5.413 484 3HG2 VAL 62 1HG2 VAL 62 -2.601 -12.019 6.885 485 1HB LYS 63 2HB LYS 63 -5.134 -15.056 1.866 486 2HB LYS 63 1HB LYS 63 -4.661 -15.304 0.193 487 1HG LYS 63 2HG LYS 63 -6.389 -16.785 0.367 488 2HG LYS 63 1HG LYS 63 -5.033 -17.831 0.790 489 1HD LYS 63 2HD LYS 63 -5.495 -17.265 3.201 490 2HD LYS 63 1HD LYS 63 -6.983 -16.494 2.655 491 1HE LYS 63 2HE LYS 63 -6.215 -19.395 2.461 492 2HE LYS 63 1HE LYS 63 -7.566 -18.685 3.340 493 H LYS 63 H LYS 63 -2.646 -14.091 1.920 494 HA LYS 63 HA LYS 63 -3.304 -16.941 2.281 495 1HZ LYS 63 2HZ LYS 63 -8.405 -17.948 1.094 496 2HZ LYS 63 1HZ LYS 63 -7.255 -18.984 0.413 497 3HZ LYS 63 3HZ LYS 63 -8.475 -19.608 1.406 498 1HB PRO 64 2HB PRO 64 -0.273 -19.827 -0.172 499 2HB PRO 64 1HB PRO 64 1.242 -18.927 -0.254 500 1HG PRO 64 2HG PRO 64 0.194 -19.655 2.089 501 2HG PRO 64 1HG PRO 64 1.026 -18.105 1.894 502 1HD PRO 64 2HD PRO 64 -1.881 -18.677 2.143 503 2HD PRO 64 1HD PRO 64 -0.959 -17.251 2.659 504 HA PRO 64 HA PRO 64 0.190 -16.936 -0.727 505 1HA GLY 65 2HA GLY 65 -1.835 -17.680 -4.456 506 2HA GLY 65 1HA GLY 65 -1.762 -19.374 -3.994 507 H GLY 65 H GLY 65 0.375 -17.832 -2.857 508 1HB PRO 66 2HB PRO 66 -0.774 -19.276 -9.386 509 2HB PRO 66 1HB PRO 66 -0.148 -20.892 -9.055 510 1HG PRO 66 2HG PRO 66 -2.716 -20.243 -8.587 511 2HG PRO 66 1HG PRO 66 -1.833 -21.383 -7.555 512 1HD PRO 66 2HD PRO 66 -2.482 -18.499 -7.076 513 2HD PRO 66 1HD PRO 66 -2.520 -19.867 -5.942 514 HA PRO 66 HA PRO 66 1.057 -20.172 -7.263 515 1HB ASN 67 2HB ASN 67 1.271 -14.400 -9.346 516 2HB ASN 67 1HB ASN 67 1.623 -16.048 -9.856 517 1HD2 ASN 67 2HD2 ASN 67 0.026 -16.664 -11.121 518 2HD2 ASN 67 1HD2 ASN 67 -1.660 -16.510 -10.773 519 H ASN 67 H ASN 67 0.247 -17.100 -6.556 520 HA ASN 67 HA ASN 67 2.494 -15.930 -7.677 521 1HB CYS 68 2HB CYS 68 -0.925 -14.790 -4.619 522 2HB CYS 68 1HB CYS 68 -0.658 -13.870 -3.143 523 H CYS 68 H CYS 68 1.819 -15.655 -5.238 524 HA CYS 68 HA CYS 68 1.253 -12.877 -4.901 525 1HA GLY 69 2HA GLY 69 1.535 -16.166 -0.708 526 2HA GLY 69 1HA GLY 69 2.261 -14.564 -0.705 527 H GLY 69 H GLY 69 0.745 -15.750 -2.845 528 1HB PHE 70 2HB PHE 70 6.445 -14.107 -0.754 529 2HB PHE 70 1HB PHE 70 7.081 -15.126 0.532 530 H PHE 70 H PHE 70 4.307 -14.956 -0.081 531 HA PHE 70 HA PHE 70 5.996 -16.452 -1.913 532 HD1 PHE 70 HD1 PHE 70 7.323 -14.728 -3.168 533 HD2 PHE 70 HD2 PHE 70 9.304 -15.686 0.475 534 HE1 PHE 70 HE1 PHE 70 9.455 -14.922 -4.382 535 HE2 PHE 70 HE2 PHE 70 11.439 -15.881 -0.732 536 HZ PHE 70 HZ PHE 70 11.516 -15.499 -3.164 537 1HA GLY 71 1HA GLY 71 6.034 -19.479 1.354 538 2HA GLY 71 2HA GLY 71 4.309 -19.765 1.138 539 H GLY 71 H GLY 71 4.099 -17.458 0.413 540 1HB LYS 72 2HB LYS 72 7.233 -16.345 4.376 541 2HB LYS 72 1HB LYS 72 6.345 -15.539 5.663 542 1HG LYS 72 2HG LYS 72 7.547 -16.715 7.104 543 2HG LYS 72 1HG LYS 72 6.672 -18.149 6.562 544 1HD LYS 72 2HD LYS 72 8.475 -18.972 5.537 545 2HD LYS 72 1HD LYS 72 8.811 -17.433 4.741 546 1HE LYS 72 2HE LYS 72 9.848 -16.623 6.838 547 2HE LYS 72 1HE LYS 72 9.593 -18.219 7.546 548 H LYS 72 H LYS 72 6.007 -17.085 2.738 549 HA LYS 72 HA LYS 72 5.063 -18.004 5.336 550 1HZ LYS 72 2HZ LYS 72 10.895 -18.998 5.456 551 2HZ LYS 72 1HZ LYS 72 11.465 -17.406 5.433 552 3HZ LYS 72 3HZ LYS 72 11.734 -18.382 6.789 553 H THR 73 H THR 73 4.311 -16.138 6.842 554 HA THR 73 HA THR 73 2.286 -14.561 5.391 555 HB THR 73 HB THR 73 1.050 -14.680 7.677 556 HG1 THR 73 HG1 THR 73 1.524 -16.741 8.717 557 1HG2 THR 73 3HG2 THR 73 0.997 -16.279 5.333 558 2HG2 THR 73 2HG2 THR 73 0.709 -17.339 6.713 559 3HG2 THR 73 1HG2 THR 73 -0.323 -15.933 6.451 560 1HA GLY 74 2HA GLY 74 4.288 -11.311 7.544 561 2HA GLY 74 1HA GLY 74 2.610 -10.812 7.711 562 H GLY 74 H GLY 74 2.398 -12.425 5.618 563 1HG1 ILE 75 1HG1 ILE 75 2.152 -5.546 5.312 564 2HG1 ILE 75 2HG1 ILE 75 1.842 -6.611 6.681 565 H ILE 75 H ILE 75 3.669 -8.669 7.348 566 HA ILE 75 HA ILE 75 3.099 -7.741 4.752 567 HB ILE 75 HB ILE 75 4.307 -6.536 7.188 568 1HG2 ILE 75 2HG2 ILE 75 4.720 -5.519 4.409 569 2HG2 ILE 75 1HG2 ILE 75 4.529 -4.382 5.744 570 3HG2 ILE 75 3HG2 ILE 75 5.843 -5.558 5.768 571 1HD1 ILE 75 1HD1 ILE 75 3.195 -4.607 7.889 572 2HD1 ILE 75 3HD1 ILE 75 2.357 -3.731 6.608 573 3HD1 ILE 75 2HD1 ILE 75 1.439 -4.699 7.762 574 1HG1 ILE 76 1HG1 ILE 76 5.341 -10.255 2.716 575 2HG1 ILE 76 2HG1 ILE 76 4.321 -10.150 1.285 576 H ILE 76 H ILE 76 4.267 -7.751 2.957 577 HA ILE 76 HA ILE 76 7.076 -8.542 3.099 578 HB ILE 76 HB ILE 76 5.324 -8.248 0.658 579 1HG2 ILE 76 3HG2 ILE 76 7.792 -8.122 0.320 580 2HG2 ILE 76 2HG2 ILE 76 7.912 -9.753 0.983 581 3HG2 ILE 76 1HG2 ILE 76 7.011 -9.471 -0.508 582 1HD1 ILE 76 1HD1 ILE 76 7.059 -11.391 1.388 583 2HD1 ILE 76 3HD1 ILE 76 5.526 -12.264 1.397 584 3HD1 ILE 76 2HD1 ILE 76 5.996 -11.321 -0.018 585 1HB ASP 77 2HB ASP 77 6.952 -4.097 4.205 586 2HB ASP 77 1HB ASP 77 8.640 -3.761 4.573 587 H ASP 77 H ASP 77 7.966 -6.569 3.803 588 HA ASP 77 HA ASP 77 7.980 -4.449 1.756 589 1HB TYR 78 2HB TYR 78 11.363 -4.755 -0.676 590 2HB TYR 78 1HB TYR 78 12.980 -4.115 -0.400 591 H TYR 78 H TYR 78 9.883 -4.186 0.809 592 HA TYR 78 HA TYR 78 12.266 -5.341 2.013 593 HD1 TYR 78 HD1 TYR 78 11.006 -7.241 0.132 594 HD2 TYR 78 HD2 TYR 78 14.793 -5.510 -0.741 595 HE1 TYR 78 HE1 TYR 78 11.947 -9.487 -0.214 596 HE2 TYR 78 HE2 TYR 78 15.744 -7.750 -1.090 597 HH TYR 78 HH TYR 78 14.777 -10.345 -0.035 598 1HA GLY 79 2HA GLY 79 13.168 -1.191 3.284 599 2HA GLY 79 1HA GLY 79 11.514 -0.656 3.575 600 H GLY 79 H GLY 79 10.748 -2.557 2.475 601 1HG1 ILE 80 2HG1 ILE 80 12.480 3.274 3.683 602 2HG1 ILE 80 1HG1 ILE 80 12.281 4.929 3.120 603 H ILE 80 H ILE 80 12.595 1.443 2.961 604 HA ILE 80 HA ILE 80 11.692 2.357 0.531 605 HB ILE 80 HB ILE 80 14.078 3.510 1.965 606 1HG2 ILE 80 2HG2 ILE 80 11.954 4.747 0.219 607 2HG2 ILE 80 1HG2 ILE 80 13.203 5.644 1.082 608 3HG2 ILE 80 3HG2 ILE 80 13.652 4.511 -0.192 609 1HD1 ILE 80 2HD1 ILE 80 10.519 3.493 1.560 610 2HD1 ILE 80 1HD1 ILE 80 10.395 2.744 3.152 611 3HD1 ILE 80 3HD1 ILE 80 10.121 4.476 2.969 612 1HB ARG 81 2HB ARG 81 12.968 1.997 -4.078 613 2HB ARG 81 1HB ARG 81 14.216 0.771 -4.256 614 1HG ARG 81 2HG ARG 81 12.353 0.236 -2.073 615 2HG ARG 81 1HG ARG 81 11.593 0.298 -3.665 616 1HD ARG 81 2HD ARG 81 12.215 -1.867 -3.752 617 2HD ARG 81 1HD ARG 81 13.765 -1.184 -4.239 618 1HH1 ARG 81 2HH1 ARG 81 14.910 -2.521 -4.357 619 2HH1 ARG 81 1HH1 ARG 81 16.105 -3.503 -3.575 620 1HH2 ARG 81 1HH2 ARG 81 14.852 -2.968 -0.355 621 2HH2 ARG 81 2HH2 ARG 81 16.071 -3.756 -1.299 622 H ARG 81 H ARG 81 12.530 2.596 -1.499 623 HA ARG 81 HA ARG 81 15.011 1.121 -2.042 624 HE ARG 81 HE ARG 81 13.285 -1.677 -1.396 625 1HB LEU 82 2HB LEU 82 17.397 4.105 -2.477 626 2HB LEU 82 1HB LEU 82 17.556 5.593 -3.386 627 H LEU 82 H LEU 82 14.553 4.046 -1.190 628 HA LEU 82 HA LEU 82 15.472 6.087 -1.599 629 HG LEU 82 HG LEU 82 19.064 5.588 -1.481 630 1HD1 LEU 82 2HD1 LEU 82 17.255 7.605 -2.134 631 2HD1 LEU 82 1HD1 LEU 82 17.272 7.551 -0.371 632 3HD1 LEU 82 3HD1 LEU 82 18.778 7.778 -1.262 633 1HD2 LEU 82 2HD2 LEU 82 16.551 5.164 0.120 634 2HD2 LEU 82 1HD2 LEU 82 17.976 4.128 0.044 635 3HD2 LEU 82 3HD2 LEU 82 18.075 5.707 0.823 636 1HB ASN 83 2HB ASN 83 15.152 5.366 -6.596 637 2HB ASN 83 1HB ASN 83 13.961 4.072 -6.491 638 1HD2 ASN 83 2HD2 ASN 83 13.042 3.687 -8.357 639 2HD2 ASN 83 1HD2 ASN 83 12.619 4.860 -9.553 640 H ASN 83 H ASN 83 13.593 4.707 -3.633 641 HA ASN 83 HA ASN 83 13.597 6.909 -5.499 642 1HB ARG 84 2HB ARG 84 8.028 7.410 -4.117 643 2HB ARG 84 1HB ARG 84 9.538 7.548 -3.229 644 1HG ARG 84 2HG ARG 84 9.504 8.905 -5.832 645 2HG ARG 84 1HG ARG 84 8.389 9.553 -4.629 646 1HD ARG 84 2HD ARG 84 10.045 10.476 -3.459 647 2HD ARG 84 1HD ARG 84 10.990 8.989 -3.490 648 1HH1 ARG 84 2HH1 ARG 84 10.976 11.889 -3.150 649 2HH1 ARG 84 1HH1 ARG 84 11.999 13.155 -3.738 650 1HH2 ARG 84 1HH2 ARG 84 12.947 11.444 -6.635 651 2HH2 ARG 84 2HH2 ARG 84 13.119 12.903 -5.717 652 H ARG 84 H ARG 84 11.560 7.469 -4.893 653 HA ARG 84 HA ARG 84 9.459 5.521 -4.635 654 HE ARG 84 HE ARG 84 11.597 9.779 -5.852 655 1HB SER 85 2HB SER 85 11.353 6.777 -9.173 656 2HB SER 85 1HB SER 85 10.849 5.571 -10.358 657 H SER 85 H SER 85 10.706 5.579 -7.220 658 HA SER 85 HA SER 85 8.574 6.669 -8.924 659 HG SER 85 HG SER 85 9.407 7.114 -11.212 660 1HB GLU 86 2HB GLU 86 7.693 1.429 -6.688 661 2HB GLU 86 1HB GLU 86 8.825 0.442 -7.600 662 1HG GLU 86 2HG GLU 86 9.775 3.007 -6.432 663 2HG GLU 86 1HG GLU 86 9.543 1.614 -5.376 664 H GLU 86 H GLU 86 9.073 3.943 -7.349 665 HA GLU 86 HA GLU 86 8.954 1.927 -9.332 666 1HB ARG 87 2HB ARG 87 5.248 -0.644 -11.135 667 2HB ARG 87 1HB ARG 87 3.945 0.473 -11.509 668 1HG ARG 87 2HG ARG 87 5.894 2.163 -11.909 669 2HG ARG 87 1HG ARG 87 6.857 0.696 -12.092 670 1HD ARG 87 2HD ARG 87 5.122 -0.085 -13.754 671 2HD ARG 87 1HD ARG 87 4.461 1.549 -13.698 672 1HH1 ARG 87 2HH1 ARG 87 5.215 3.392 -13.559 673 2HH1 ARG 87 1HH1 ARG 87 6.077 4.583 -14.475 674 1HH2 ARG 87 2HH2 ARG 87 7.999 2.254 -16.239 675 2HH2 ARG 87 1HH2 ARG 87 7.660 3.935 -15.998 676 H ARG 87 H ARG 87 7.032 0.360 -9.376 677 HA ARG 87 HA ARG 87 4.567 1.935 -9.721 678 HE ARG 87 HE ARG 87 6.858 0.695 -15.027 679 1HB TRP 88 2HB TRP 88 4.054 0.889 -5.239 680 2HB TRP 88 1HB TRP 88 3.053 -0.426 -4.641 681 H TRP 88 H TRP 88 3.719 1.609 -7.683 682 HA TRP 88 HA TRP 88 2.870 -1.151 -7.107 683 HD1 TRP 88 HD1 TRP 88 6.514 0.375 -5.049 684 HE1 TRP 88 HE1 TRP 88 7.993 -1.731 -5.138 685 HE3 TRP 88 HE3 TRP 88 2.888 -3.111 -5.922 686 HZ2 TRP 88 HZ2 TRP 88 7.654 -4.513 -5.518 687 HZ3 TRP 88 HZ3 TRP 88 3.546 -5.472 -6.137 688 HH2 TRP 88 HH2 TRP 88 5.881 -6.156 -5.942 689 1HB ASP 89 2HB ASP 89 -2.212 -0.973 -5.438 690 2HB ASP 89 1HB ASP 89 -0.774 -1.734 -4.768 691 H ASP 89 H ASP 89 1.224 -0.854 -5.060 692 HA ASP 89 HA ASP 89 -0.950 0.722 -6.178 693 H ALA 90 H ALA 90 -2.451 1.341 -4.004 694 HA ALA 90 HA ALA 90 -0.730 3.026 -2.322 695 1HB ALA 90 1HB ALA 90 -1.393 4.679 -3.751 696 2HB ALA 90 2HB ALA 90 -2.708 4.741 -2.573 697 3HB ALA 90 3HB ALA 90 -2.938 3.904 -4.109 698 1HB TYR 91 2HB TYR 91 -0.870 1.582 1.716 699 2HB TYR 91 1HB TYR 91 -2.225 1.378 2.820 700 H TYR 91 H TYR 91 -1.086 2.560 -0.272 701 HA TYR 91 HA TYR 91 -3.594 1.324 0.534 702 HD1 TYR 91 HD1 TYR 91 -3.969 -0.483 1.471 703 HD2 TYR 91 HD2 TYR 91 0.281 -0.423 1.629 704 HE1 TYR 91 HE1 TYR 91 -3.929 -2.911 1.088 705 HE2 TYR 91 HE2 TYR 91 0.335 -2.852 1.245 706 HH TYR 91 HH TYR 91 -2.070 -4.842 1.716 707 1HB CYS 92 2HB CYS 92 -6.914 4.394 0.494 708 2HB CYS 92 1HB CYS 92 -6.903 6.009 1.183 709 H CYS 92 H CYS 92 -4.804 3.326 0.142 710 HA CYS 92 HA CYS 92 -4.398 5.723 1.485 711 1HB TYR 93 2HB TYR 93 -4.618 4.827 5.632 712 2HB TYR 93 1HB TYR 93 -4.761 6.561 5.907 713 H TYR 93 H TYR 93 -6.059 6.594 3.114 714 HA TYR 93 HA TYR 93 -7.060 4.774 5.082 715 HD1 TYR 93 HD1 TYR 93 -6.940 7.085 7.522 716 HD2 TYR 93 HD2 TYR 93 -4.544 3.569 7.555 717 HE1 TYR 93 HE1 TYR 93 -7.604 6.664 9.850 718 HE2 TYR 93 HE2 TYR 93 -5.201 3.136 9.883 719 HH TYR 93 HH TYR 93 -6.038 4.393 11.826 720 1HB ASN 94 2HB ASN 94 -9.266 8.709 4.344 721 2HB ASN 94 1HB ASN 94 -10.560 7.517 4.405 722 1HD2 ASN 94 1HD2 ASN 94 -9.754 10.777 4.663 723 2HD2 ASN 94 2HD2 ASN 94 -11.282 11.362 5.220 724 H ASN 94 H ASN 94 -8.763 5.691 6.048 725 HA ASN 94 HA ASN 94 -8.874 8.453 6.734 726 1HB PRO 95 2HB PRO 95 -12.330 8.642 10.915 727 2HB PRO 95 1HB PRO 95 -10.853 7.753 11.306 728 1HG PRO 95 2HG PRO 95 -11.210 10.186 9.614 729 2HG PRO 95 1HG PRO 95 -9.907 9.788 10.747 730 1HD PRO 95 2HD PRO 95 -9.589 9.566 8.090 731 2HD PRO 95 1HD PRO 95 -8.826 8.428 9.220 732 HA PRO 95 HA PRO 95 -11.491 6.324 9.653 733 1HB HIS 96 2HB HIS 96 -13.845 10.692 7.056 734 2HB HIS 96 1HB HIS 96 -15.393 10.374 6.280 735 H HIS 96 H HIS 96 -12.461 8.943 7.544 736 HA HIS 96 HA HIS 96 -15.288 8.259 7.946 737 HD1 HIS 96 HD1 HIS 96 -17.272 11.475 7.429 738 HD2 HIS 96 HD2 HIS 96 -14.229 10.475 10.076 739 HE1 HIS 96 HE1 HIS 96 -18.040 12.298 9.679 740 HE2 HIS 96 HE2 HIS 96 -16.229 11.589 11.280 741 H ALA 97 H ALA 97 -13.022 6.938 6.259 742 HA ALA 97 HA ALA 97 -14.142 7.081 3.589 743 1HB ALA 97 3HB ALA 97 -11.739 5.817 4.814 744 2HB ALA 97 1HB ALA 97 -11.867 6.871 3.405 745 3HB ALA 97 2HB ALA 97 -12.345 5.177 3.286 746 1HB LYS 98 2HB LYS 98 -17.527 5.492 6.666 747 2HB LYS 98 1HB LYS 98 -18.732 4.498 5.858 748 1HG LYS 98 2HG LYS 98 -18.665 3.182 7.643 749 2HG LYS 98 1HG LYS 98 -17.077 2.656 7.085 750 1HD LYS 98 2HD LYS 98 -16.402 3.365 9.113 751 2HD LYS 98 1HD LYS 98 -16.422 4.956 8.350 752 1HE LYS 98 2HE LYS 98 -19.046 4.238 9.302 753 2HE LYS 98 1HE LYS 98 -17.858 4.140 10.602 754 H LYS 98 H LYS 98 -16.043 6.212 5.343 755 HA LYS 98 HA LYS 98 -16.172 3.337 5.384 756 1HZ LYS 98 1HZ LYS 98 -18.170 6.499 8.830 757 2HZ LYS 98 3HZ LYS 98 -18.914 6.354 10.343 758 3HZ LYS 98 2HZ LYS 98 -17.227 6.389 10.229 No H/Q in entry = 758 Start of MODEL 4 1 1HA GLY 1 2HA GLY 1 -10.345 1.707 7.944 2 2HA GLY 1 1HA GLY 1 -9.029 2.361 8.906 3 H1 GLY 1 3H GLY 1 -10.075 4.559 7.713 4 H2 GLY 1 2H GLY 1 -11.450 3.625 8.031 5 H3 GLY 1 1H GLY 1 -10.406 4.048 9.292 6 H VAL 2 H VAL 2 -7.448 1.401 7.618 7 HA VAL 2 HA VAL 2 -6.743 2.932 5.275 8 HB VAL 2 HB VAL 2 -4.869 2.445 6.566 9 1HG1 VAL 2 2HG1 VAL 2 -6.361 0.220 7.411 10 2HG1 VAL 2 1HG1 VAL 2 -4.845 -0.412 6.766 11 3HG1 VAL 2 3HG1 VAL 2 -4.821 0.797 8.051 12 1HG2 VAL 2 2HG2 VAL 2 -4.960 1.515 4.012 13 2HG2 VAL 2 1HG2 VAL 2 -3.499 1.604 4.998 14 3HG2 VAL 2 3HG2 VAL 2 -4.396 0.089 4.885 15 1HB TYR 3 2HB TYR 3 -9.326 0.627 0.773 16 2HB TYR 3 1HB TYR 3 -9.941 0.738 2.415 17 H TYR 3 H TYR 3 -7.220 2.415 3.245 18 HA TYR 3 HA TYR 3 -7.902 -0.383 2.652 19 HD1 TYR 3 HD1 TYR 3 -8.704 3.048 3.570 20 HD2 TYR 3 HD2 TYR 3 -9.966 2.455 -0.449 21 HE1 TYR 3 HE1 TYR 3 -8.978 5.480 3.303 22 HE2 TYR 3 HE2 TYR 3 -10.235 4.882 -0.729 23 HH TYR 3 HH TYR 3 -9.050 7.139 1.555 24 1HB HIS 4 2HB HIS 4 -4.429 -1.956 -0.913 25 2HB HIS 4 1HB HIS 4 -5.953 -2.508 -0.233 26 H HIS 4 H HIS 4 -7.583 -1.009 0.383 27 HA HIS 4 HA HIS 4 -5.085 0.155 -0.615 28 HD1 HIS 4 HD1 HIS 4 -7.845 -3.143 -1.938 29 HD2 HIS 4 HD2 HIS 4 -4.158 -2.282 -3.650 30 HE1 HIS 4 HE1 HIS 4 -7.984 -4.001 -4.298 31 HE2 HIS 4 HE2 HIS 4 -5.750 -3.447 -5.324 32 1HB ARG 5 2HB ARG 5 -6.030 3.324 -3.456 33 2HB ARG 5 1HB ARG 5 -6.954 3.213 -4.946 34 1HG ARG 5 2HG ARG 5 -7.973 2.290 -2.270 35 2HG ARG 5 1HG ARG 5 -8.275 3.890 -2.949 36 1HD ARG 5 2HD ARG 5 -9.112 2.517 -5.017 37 2HD ARG 5 1HD ARG 5 -9.299 1.229 -3.826 38 1HH1 ARG 5 2HH1 ARG 5 -10.683 0.378 -3.482 39 2HH1 ARG 5 1HH1 ARG 5 -12.320 0.296 -2.923 40 1HH2 ARG 5 1HH2 ARG 5 -12.751 3.762 -2.781 41 2HH2 ARG 5 2HH2 ARG 5 -13.495 2.220 -2.525 42 H ARG 5 H ARG 5 -4.877 0.949 -2.651 43 HA ARG 5 HA ARG 5 -7.111 0.714 -4.515 44 HE ARG 5 HE ARG 5 -10.595 3.860 -3.518 45 1HB GLU 6 2HB GLU 6 -4.165 -0.257 -9.213 46 2HB GLU 6 1HB GLU 6 -5.224 -0.959 -7.999 47 1HG GLU 6 2HG GLU 6 -5.929 0.973 -10.183 48 2HG GLU 6 1HG GLU 6 -6.526 -0.666 -9.936 49 H GLU 6 H GLU 6 -6.547 0.986 -6.675 50 HA GLU 6 HA GLU 6 -3.666 0.864 -7.188 51 H ALA 7 H ALA 7 -3.567 1.558 -9.824 52 HA ALA 7 HA ALA 7 -3.342 4.347 -9.722 53 1HB ALA 7 1HB ALA 7 -3.643 2.934 -12.334 54 2HB ALA 7 2HB ALA 7 -2.246 2.598 -11.311 55 3HB ALA 7 3HB ALA 7 -2.547 4.239 -11.883 56 1HB ARG 8 2HB ARG 8 -5.140 6.611 -13.497 57 2HB ARG 8 1HB ARG 8 -6.765 6.326 -14.105 58 1HG ARG 8 2HG ARG 8 -7.599 8.259 -13.191 59 2HG ARG 8 1HG ARG 8 -6.358 8.328 -11.939 60 1HD ARG 8 2HD ARG 8 -5.803 8.747 -14.869 61 2HD ARG 8 1HD ARG 8 -6.147 10.058 -13.742 62 1HH1 ARG 8 1HH1 ARG 8 -5.185 11.439 -13.690 63 2HH1 ARG 8 2HH1 ARG 8 -3.704 12.232 -13.272 64 1HH2 ARG 8 1HH2 ARG 8 -1.921 9.267 -12.763 65 2HH2 ARG 8 2HH2 ARG 8 -1.848 10.998 -12.745 66 H ARG 8 H ARG 8 -4.374 5.445 -11.962 67 HA ARG 8 HA ARG 8 -6.884 6.298 -11.261 68 HE ARG 8 HE ARG 8 -3.878 8.232 -13.313 69 1HB SER 9 2HB SER 9 -9.548 2.353 -14.825 70 2HB SER 9 1HB SER 9 -8.835 3.964 -14.739 71 H SER 9 H SER 9 -6.012 3.526 -13.254 72 HA SER 9 HA SER 9 -8.533 2.275 -12.744 73 HG SER 9 HG SER 9 -6.959 2.858 -15.822 74 1HA GLY 10 2HA GLY 10 -4.079 0.468 -14.564 75 2HA GLY 10 1HA GLY 10 -5.436 -0.616 -14.287 76 H GLY 10 H GLY 10 -5.330 2.161 -13.281 77 1HB LYS 11 2HB LYS 11 -3.834 -3.970 -12.149 78 2HB LYS 11 1HB LYS 11 -2.090 -3.889 -12.284 79 1HG LYS 11 2HG LYS 11 -2.227 -5.284 -10.507 80 2HG LYS 11 1HG LYS 11 -2.254 -3.743 -9.647 81 1HD LYS 11 2HD LYS 11 -4.105 -4.591 -8.686 82 2HD LYS 11 1HD LYS 11 -4.887 -4.069 -10.180 83 1HE LYS 11 2HE LYS 11 -5.433 -6.167 -10.646 84 2HE LYS 11 1HE LYS 11 -3.730 -6.625 -10.629 85 H LYS 11 H LYS 11 -3.678 -2.024 -13.505 86 HA LYS 11 HA LYS 11 -3.526 -1.887 -10.639 87 1HZ LYS 11 1HZ LYS 11 -5.089 -6.332 -8.056 88 2HZ LYS 11 3HZ LYS 11 -5.460 -7.695 -8.987 89 3HZ LYS 11 2HZ LYS 11 -3.863 -7.402 -8.513 90 1HB TYR 12 2HB TYR 12 1.148 -1.927 -11.148 91 2HB TYR 12 1HB TYR 12 2.133 -1.199 -9.885 92 H TYR 12 H TYR 12 -1.902 -1.125 -9.449 93 HA TYR 12 HA TYR 12 0.110 -0.253 -8.850 94 HD1 TYR 12 HD1 TYR 12 1.042 -1.808 -7.404 95 HD2 TYR 12 HD2 TYR 12 0.897 -4.197 -10.921 96 HE1 TYR 12 HE1 TYR 12 0.771 -3.819 -6.018 97 HE2 TYR 12 HE2 TYR 12 0.619 -6.216 -9.545 98 HH TYR 12 HH TYR 12 0.306 -7.014 -7.487 99 1HB LYS 13 2HB LYS 13 0.319 2.574 -13.191 100 2HB LYS 13 1HB LYS 13 1.766 2.326 -14.158 101 1HG LYS 13 2HG LYS 13 0.919 -0.166 -13.030 102 2HG LYS 13 1HG LYS 13 -0.427 0.609 -13.869 103 1HD LYS 13 2HD LYS 13 0.514 0.334 -15.895 104 2HD LYS 13 1HD LYS 13 2.135 0.703 -15.301 105 1HE LYS 13 2HE LYS 13 2.626 -1.463 -14.898 106 2HE LYS 13 1HE LYS 13 0.988 -1.844 -14.369 107 H LYS 13 H LYS 13 2.274 0.095 -10.990 108 HA LYS 13 HA LYS 13 3.048 1.742 -12.349 109 1HZ LYS 13 3HZ LYS 13 0.332 -1.734 -16.757 110 2HZ LYS 13 2HZ LYS 13 1.972 -1.628 -17.158 111 3HZ LYS 13 1HZ LYS 13 1.380 -3.006 -16.377 112 1HB LEU 14 2HB LEU 14 0.922 3.203 -7.594 113 2HB LEU 14 1HB LEU 14 0.768 4.932 -7.393 114 H LEU 14 H LEU 14 1.890 2.284 -9.572 115 HA LEU 14 HA LEU 14 1.395 5.159 -9.831 116 HG LEU 14 HG LEU 14 -0.796 3.565 -9.541 117 1HD1 LEU 14 3HD1 LEU 14 -1.033 3.079 -6.693 118 2HD1 LEU 14 2HD1 LEU 14 -2.513 3.749 -7.383 119 3HD1 LEU 14 1HD1 LEU 14 -1.819 2.269 -8.049 120 1HD2 LEU 14 2HD2 LEU 14 -0.567 6.181 -8.599 121 2HD2 LEU 14 1HD2 LEU 14 -1.776 5.551 -9.718 122 3HD2 LEU 14 3HD2 LEU 14 -2.117 5.600 -7.988 123 H THR 15 H THR 15 2.501 6.642 -8.475 124 HA THR 15 HA THR 15 5.155 5.692 -7.619 125 HB THR 15 HB THR 15 5.996 7.942 -7.986 126 HG1 THR 15 HG1 THR 15 3.459 8.633 -7.804 127 1HG2 THR 15 2HG2 THR 15 5.780 6.281 -9.905 128 2HG2 THR 15 1HG2 THR 15 4.387 7.227 -10.428 129 3HG2 THR 15 3HG2 THR 15 5.981 7.976 -10.349 130 1HB TYR 16 2HB TYR 16 6.860 7.908 -3.747 131 2HB TYR 16 1HB TYR 16 6.608 9.544 -4.346 132 H TYR 16 H TYR 16 5.797 8.107 -6.216 133 HA TYR 16 HA TYR 16 4.428 7.538 -3.733 134 HD1 TYR 16 HD1 TYR 16 5.448 7.384 -1.520 135 HD2 TYR 16 HD2 TYR 16 6.696 11.246 -2.796 136 HE1 TYR 16 HE1 TYR 16 5.280 8.193 0.793 137 HE2 TYR 16 HE2 TYR 16 6.530 12.069 -0.484 138 HH TYR 16 HH TYR 16 5.159 11.349 1.634 139 H ALA 17 H ALA 17 5.000 10.441 -5.706 140 HA ALA 17 HA ALA 17 3.197 12.082 -4.260 141 1HB ALA 17 3HB ALA 17 5.066 12.921 -5.659 142 2HB ALA 17 2HB ALA 17 4.157 12.440 -7.094 143 3HB ALA 17 1HB ALA 17 3.519 13.688 -6.021 144 1HB GLU 18 2HB GLU 18 1.868 8.304 -8.295 145 2HB GLU 18 1HB GLU 18 0.224 8.485 -8.894 146 1HG GLU 18 2HG GLU 18 0.816 10.241 -10.320 147 2HG GLU 18 1HG GLU 18 2.348 10.513 -9.492 148 H GLU 18 H GLU 18 2.847 9.875 -6.928 149 HA GLU 18 HA GLU 18 0.285 10.815 -7.788 150 H ALA 19 H ALA 19 1.345 7.940 -5.986 151 HA ALA 19 HA ALA 19 -1.119 6.868 -5.361 152 1HB ALA 19 2HB ALA 19 0.343 5.395 -4.549 153 2HB ALA 19 3HB ALA 19 0.427 6.405 -3.105 154 3HB ALA 19 1HB ALA 19 1.601 6.625 -4.405 155 1HB LYS 20 2HB LYS 20 1.380 10.502 -1.710 156 2HB LYS 20 1HB LYS 20 0.651 11.836 -2.592 157 1HG LYS 20 2HG LYS 20 -0.328 12.725 -0.720 158 2HG LYS 20 1HG LYS 20 -0.375 11.175 0.122 159 1HD LYS 20 2HD LYS 20 2.306 11.549 -0.188 160 2HD LYS 20 1HD LYS 20 1.738 13.206 0.027 161 1HE LYS 20 2HE LYS 20 1.009 10.940 1.871 162 2HE LYS 20 1HE LYS 20 2.383 12.010 2.139 163 H LYS 20 H LYS 20 0.732 9.310 -3.588 164 HA LYS 20 HA LYS 20 -0.994 9.604 -1.421 165 1HZ LYS 20 3HZ LYS 20 -0.323 13.114 1.746 166 2HZ LYS 20 2HZ LYS 20 0.164 12.556 3.267 167 3HZ LYS 20 1HZ LYS 20 1.010 13.816 2.518 168 H ALA 21 H ALA 21 -0.892 11.262 -4.547 169 HA ALA 21 HA ALA 21 -2.932 13.134 -4.010 170 1HB ALA 21 3HB ALA 21 -3.130 13.113 -6.588 171 2HB ALA 21 1HB ALA 21 -1.737 12.033 -6.523 172 3HB ALA 21 2HB ALA 21 -1.623 13.659 -5.852 173 H VAL 22 H VAL 22 -3.024 9.960 -5.605 174 HA VAL 22 HA VAL 22 -5.701 9.863 -6.287 175 HB VAL 22 HB VAL 22 -3.586 7.879 -5.770 176 1HG1 VAL 22 3HG1 VAL 22 -5.357 6.988 -4.359 177 2HG1 VAL 22 2HG1 VAL 22 -6.488 7.078 -5.710 178 3HG1 VAL 22 1HG1 VAL 22 -5.112 5.976 -5.785 179 1HG2 VAL 22 2HG2 VAL 22 -4.059 8.756 -7.992 180 2HG2 VAL 22 1HG2 VAL 22 -4.349 7.017 -7.923 181 3HG2 VAL 22 3HG2 VAL 22 -5.708 8.140 -7.894 182 1HB CYS 23 2HB CYS 23 -3.684 9.199 -1.162 183 2HB CYS 23 1HB CYS 23 -4.884 9.401 0.110 184 H CYS 23 H CYS 23 -4.133 9.271 -3.211 185 HA CYS 23 HA CYS 23 -6.342 8.154 -1.852 186 1HB GLU 24 2HB GLU 24 -5.112 13.807 -2.174 187 2HB GLU 24 1HB GLU 24 -6.178 14.754 -1.147 188 1HG GLU 24 2HG GLU 24 -4.959 14.358 0.728 189 2HG GLU 24 1HG GLU 24 -4.404 12.781 0.170 190 H GLU 24 H GLU 24 -4.971 11.430 -1.719 191 HA GLU 24 HA GLU 24 -6.992 12.576 -0.161 192 1HB PHE 25 2HB PHE 25 -7.426 12.788 -5.772 193 2HB PHE 25 1HB PHE 25 -7.950 11.107 -5.745 194 H PHE 25 H PHE 25 -7.061 11.544 -3.396 195 HA PHE 25 HA PHE 25 -9.233 13.335 -4.150 196 HD1 PHE 25 HD1 PHE 25 -9.066 14.542 -6.571 197 HD2 PHE 25 HD2 PHE 25 -9.679 10.368 -7.125 198 HE1 PHE 25 HE1 PHE 25 -10.689 15.021 -8.358 199 HE2 PHE 25 HE2 PHE 25 -11.303 10.839 -8.913 200 HZ PHE 25 HZ PHE 25 -11.811 13.169 -9.531 201 1HB GLU 26 2HB GLU 26 -8.951 7.790 -2.971 202 2HB GLU 26 1HB GLU 26 -10.526 7.044 -2.743 203 1HG GLU 26 2HG GLU 26 -10.721 7.821 -5.320 204 2HG GLU 26 1HG GLU 26 -8.990 7.512 -5.202 205 H GLU 26 H GLU 26 -8.674 10.016 -3.217 206 HA GLU 26 HA GLU 26 -11.415 9.254 -3.837 207 1HA GLY 27 1HA GLY 27 -12.023 10.055 0.508 208 2HA GLY 27 2HA GLY 27 -11.019 11.494 0.606 209 H GLY 27 H GLY 27 -9.868 10.777 -1.345 210 1HA GLY 28 2HA GLY 28 -7.999 8.527 2.341 211 2HA GLY 28 1HA GLY 28 -8.168 9.917 3.409 212 H GLY 28 H GLY 28 -8.608 10.941 0.913 213 1HB HIS 29 2HB HIS 29 -2.592 10.794 3.477 214 2HB HIS 29 1HB HIS 29 -4.052 11.717 3.133 215 H HIS 29 H HIS 29 -5.776 8.655 3.347 216 HA HIS 29 HA HIS 29 -4.029 10.045 1.483 217 HD1 HIS 29 HD1 HIS 29 -6.101 11.311 4.757 218 HD2 HIS 29 HD2 HIS 29 -2.504 9.619 5.966 219 HE1 HIS 29 HE1 HIS 29 -6.409 10.744 7.187 220 HE2 HIS 29 HE2 HIS 29 -4.191 9.798 7.919 221 1HB LEU 30 2HB LEU 30 0.558 8.847 2.252 222 2HB LEU 30 1HB LEU 30 1.056 7.170 2.243 223 H LEU 30 H LEU 30 -1.661 9.428 1.986 224 HA LEU 30 HA LEU 30 -1.432 6.634 1.840 225 HG LEU 30 HG LEU 30 -0.277 8.633 -0.038 226 1HD1 LEU 30 1HD1 LEU 30 2.210 9.053 0.601 227 2HD1 LEU 30 3HD1 LEU 30 2.468 7.456 -0.102 228 3HD1 LEU 30 2HD1 LEU 30 1.775 8.749 -1.081 229 1HD2 LEU 30 2HD2 LEU 30 -0.181 5.861 0.546 230 2HD2 LEU 30 1HD2 LEU 30 -0.796 6.662 -0.900 231 3HD2 LEU 30 3HD2 LEU 30 0.895 6.170 -0.816 232 H ALA 31 H ALA 31 -1.880 5.304 3.471 233 HA ALA 31 HA ALA 31 -1.875 5.978 6.190 234 1HB ALA 31 1HB ALA 31 -2.118 3.482 4.636 235 2HB ALA 31 3HB ALA 31 -1.655 3.318 6.330 236 3HB ALA 31 2HB ALA 31 -3.155 4.141 5.901 237 H THR 32 H THR 32 -0.587 3.956 7.513 238 HA THR 32 HA THR 32 2.264 4.424 6.944 239 HB THR 32 HB THR 32 2.721 5.200 9.005 240 HG1 THR 32 HG1 THR 32 0.607 3.798 10.260 241 1HG2 THR 32 1HG2 THR 32 -0.208 5.682 8.667 242 2HG2 THR 32 3HG2 THR 32 0.590 6.189 10.155 243 3HG2 THR 32 2HG2 THR 32 1.131 6.827 8.603 244 1HB TYR 33 2HB TYR 33 5.346 1.298 8.131 245 2HB TYR 33 1HB TYR 33 4.928 0.953 9.803 246 H TYR 33 H TYR 33 3.663 2.873 8.274 247 HA TYR 33 HA TYR 33 3.079 0.241 7.536 248 HD1 TYR 33 HD1 TYR 33 5.524 -0.632 6.504 249 HD2 TYR 33 HD2 TYR 33 5.218 -1.200 10.710 250 HE1 TYR 33 HE1 TYR 33 6.396 -2.916 6.253 251 HE2 TYR 33 HE2 TYR 33 6.090 -3.487 10.469 252 HH TYR 33 HH TYR 33 7.191 -4.897 9.032 253 1HB LYS 34 2HB LYS 34 2.506 2.299 12.686 254 2HB LYS 34 1HB LYS 34 0.883 1.911 13.233 255 1HG LYS 34 2HG LYS 34 1.770 0.149 14.662 256 2HG LYS 34 1HG LYS 34 3.403 0.507 14.098 257 1HD LYS 34 2HD LYS 34 2.038 2.879 15.061 258 2HD LYS 34 1HD LYS 34 2.134 1.621 16.295 259 1HE LYS 34 2HE LYS 34 4.600 2.077 14.755 260 2HE LYS 34 1HE LYS 34 4.097 3.413 15.789 261 H LYS 34 H LYS 34 3.037 1.713 10.775 262 HA LYS 34 HA LYS 34 2.119 -0.467 12.210 263 1HZ LYS 34 2HZ LYS 34 3.921 0.886 17.115 264 2HZ LYS 34 1HZ LYS 34 5.493 1.210 16.579 265 3HZ LYS 34 3HZ LYS 34 4.704 2.305 17.601 266 1HB GLN 35 2HB GLN 35 -1.481 2.573 8.751 267 2HB GLN 35 1HB GLN 35 -3.112 2.451 9.386 268 1HG GLN 35 2HG GLN 35 -2.365 3.661 11.412 269 2HG GLN 35 1HG GLN 35 -0.789 3.874 10.654 270 1HE2 GLN 35 1HE2 GLN 35 -2.995 5.748 11.502 271 2HE2 GLN 35 2HE2 GLN 35 -3.263 6.743 10.115 272 H GLN 35 H GLN 35 0.240 2.054 10.558 273 HA GLN 35 HA GLN 35 -2.302 1.122 11.274 274 1HB LEU 36 2HB LEU 36 0.876 -0.714 7.125 275 2HB LEU 36 1HB LEU 36 0.685 -2.445 6.936 276 H LEU 36 H LEU 36 -0.093 0.221 8.700 277 HA LEU 36 HA LEU 36 -1.917 -1.382 7.233 278 HG LEU 36 HG LEU 36 0.733 -1.368 4.765 279 1HD1 LEU 36 2HD1 LEU 36 -1.396 -3.007 5.722 280 2HD1 LEU 36 1HD1 LEU 36 -2.023 -1.910 4.489 281 3HD1 LEU 36 3HD1 LEU 36 -0.660 -2.967 4.119 282 1HD2 LEU 36 1HD2 LEU 36 -0.799 0.621 6.072 283 2HD2 LEU 36 3HD2 LEU 36 -0.147 0.636 4.434 284 3HD2 LEU 36 2HD2 LEU 36 -1.761 -0.010 4.735 285 1HB GLU 37 2HB GLU 37 1.456 -3.283 11.589 286 2HB GLU 37 1HB GLU 37 0.042 -2.671 12.429 287 1HG GLU 37 2HG GLU 37 0.808 -4.281 13.877 288 2HG GLU 37 1HG GLU 37 -0.425 -5.150 12.962 289 H GLU 37 H GLU 37 0.004 -1.861 10.070 290 HA GLU 37 HA GLU 37 0.021 -4.679 10.168 291 H ALA 38 H ALA 38 -2.011 -2.352 11.912 292 HA ALA 38 HA ALA 38 -3.806 -4.154 13.042 293 1HB ALA 38 1HB ALA 38 -3.673 -1.757 13.630 294 2HB ALA 38 2HB ALA 38 -5.324 -2.279 13.294 295 3HB ALA 38 3HB ALA 38 -4.428 -1.356 12.088 296 H ALA 39 H ALA 39 -3.628 -2.827 9.822 297 HA ALA 39 HA ALA 39 -6.205 -3.603 8.934 298 1HB ALA 39 1HB ALA 39 -3.734 -3.342 7.225 299 2HB ALA 39 2HB ALA 39 -4.679 -1.963 7.788 300 3HB ALA 39 3HB ALA 39 -5.416 -3.162 6.726 301 1HB ARG 40 2HB ARG 40 -1.570 -6.740 7.877 302 2HB ARG 40 1HB ARG 40 -1.552 -7.232 9.566 303 1HG ARG 40 2HG ARG 40 -2.412 -9.288 7.640 304 2HG ARG 40 1HG ARG 40 -0.723 -8.788 7.540 305 1HD ARG 40 2HD ARG 40 -2.101 -9.692 10.064 306 2HD ARG 40 1HD ARG 40 -1.098 -10.723 9.046 307 1HH1 ARG 40 2HH1 ARG 40 0.233 -11.641 9.397 308 2HH1 ARG 40 1HH1 ARG 40 1.821 -11.835 10.059 309 1HH2 ARG 40 1HH2 ARG 40 2.025 -8.570 11.291 310 2HH2 ARG 40 2HH2 ARG 40 2.840 -10.091 11.136 311 H ARG 40 H ARG 40 -3.117 -5.200 9.207 312 HA ARG 40 HA ARG 40 -3.956 -7.560 7.761 313 HE ARG 40 HE ARG 40 -0.067 -8.322 10.414 314 1HB LYS 41 2HB LYS 41 -4.820 -5.958 12.935 315 2HB LYS 41 1HB LYS 41 -5.353 -7.186 14.071 316 1HG LYS 41 2HG LYS 41 -2.842 -7.799 14.208 317 2HG LYS 41 1HG LYS 41 -2.593 -6.194 13.520 318 1HD LYS 41 2HD LYS 41 -3.464 -5.119 15.375 319 2HD LYS 41 1HD LYS 41 -4.379 -6.537 15.893 320 1HE LYS 41 2HE LYS 41 -2.364 -7.645 16.596 321 2HE LYS 41 1HE LYS 41 -1.372 -6.344 15.937 322 H LYS 41 H LYS 41 -3.675 -6.461 11.062 323 HA LYS 41 HA LYS 41 -3.919 -8.773 12.513 324 1HZ LYS 41 3HZ LYS 41 -3.286 -5.323 17.764 325 2HZ LYS 41 2HZ LYS 41 -2.365 -6.536 18.499 326 3HZ LYS 41 1HZ LYS 41 -1.598 -5.198 17.804 327 1HG1 ILE 42 2HG1 ILE 42 -8.507 -5.488 9.128 328 2HG1 ILE 42 1HG1 ILE 42 -7.716 -7.003 8.703 329 H ILE 42 H ILE 42 -6.320 -7.133 10.600 330 HA ILE 42 HA ILE 42 -8.465 -8.822 11.632 331 HB ILE 42 HB ILE 42 -9.996 -7.465 10.432 332 1HG2 ILE 42 1HG2 ILE 42 -7.803 -5.749 11.582 333 2HG2 ILE 42 3HG2 ILE 42 -9.435 -5.187 11.219 334 3HG2 ILE 42 2HG2 ILE 42 -9.182 -6.429 12.445 335 1HD1 ILE 42 1HD1 ILE 42 -10.673 -6.824 8.485 336 2HD1 ILE 42 3HD1 ILE 42 -9.671 -6.048 7.258 337 3HD1 ILE 42 2HD1 ILE 42 -9.525 -7.782 7.549 338 1HA GLY 43 1HA GLY 43 -7.914 -10.611 7.483 339 2HA GLY 43 2HA GLY 43 -6.161 -10.580 7.598 340 H GLY 43 H GLY 43 -6.503 -8.355 8.762 341 1HB PHE 44 2HB PHE 44 -5.848 -5.657 6.193 342 2HB PHE 44 1HB PHE 44 -4.305 -6.105 5.477 343 H PHE 44 H PHE 44 -5.548 -8.004 6.938 344 HA PHE 44 HA PHE 44 -6.903 -7.270 4.491 345 HD1 PHE 44 HD1 PHE 44 -6.903 -6.185 3.073 346 HD2 PHE 44 HD2 PHE 44 -4.271 -3.550 5.134 347 HE1 PHE 44 HE1 PHE 44 -7.225 -4.494 1.315 348 HE2 PHE 44 HE2 PHE 44 -4.589 -1.856 3.381 349 HZ PHE 44 HZ PHE 44 -6.068 -2.325 1.469 350 1HB HIS 45 2HB HIS 45 -5.428 -11.516 2.805 351 2HB HIS 45 1HB HIS 45 -6.414 -10.923 1.474 352 H HIS 45 H HIS 45 -6.574 -8.970 3.067 353 HA HIS 45 HA HIS 45 -3.814 -9.689 2.408 354 HD1 HIS 45 HD1 HIS 45 -6.168 -13.028 0.060 355 HD2 HIS 45 HD2 HIS 45 -2.535 -11.284 1.068 356 HE1 HIS 45 HE1 HIS 45 -4.445 -14.195 -1.351 357 HE2 HIS 45 HE2 HIS 45 -2.271 -13.050 -0.799 358 H VAL 46 H VAL 46 -2.820 -8.829 0.718 359 HA VAL 46 HA VAL 46 -4.031 -8.384 -1.794 360 HB VAL 46 HB VAL 46 -5.112 -6.467 -1.044 361 1HG1 VAL 46 1HG1 VAL 46 -3.167 -6.509 1.005 362 2HG1 VAL 46 3HG1 VAL 46 -3.115 -4.911 0.262 363 3HG1 VAL 46 2HG1 VAL 46 -4.632 -5.533 0.909 364 1HG2 VAL 46 3HG2 VAL 46 -3.285 -6.165 -2.933 365 2HG2 VAL 46 2HG2 VAL 46 -4.242 -4.807 -2.343 366 3HG2 VAL 46 1HG2 VAL 46 -2.598 -5.052 -1.751 367 1HB CYS 47 2HB CYS 47 -0.123 -9.222 -5.094 368 2HB CYS 47 1HB CYS 47 0.769 -10.114 -3.864 369 H CYS 47 H CYS 47 -2.404 -8.874 -3.093 370 HA CYS 47 HA CYS 47 0.337 -8.581 -2.275 371 H ALA 48 H ALA 48 -1.713 -6.316 -3.237 372 HA ALA 48 HA ALA 48 0.034 -4.997 -5.165 373 1HB ALA 48 3HB ALA 48 -2.534 -5.096 -5.330 374 2HB ALA 48 1HB ALA 48 -1.726 -3.563 -5.663 375 3HB ALA 48 2HB ALA 48 -2.511 -3.827 -4.105 376 H ALA 49 H ALA 49 1.802 -4.480 -3.868 377 HA ALA 49 HA ALA 49 1.902 -3.383 -1.378 378 1HB ALA 49 3HB ALA 49 4.035 -3.577 -2.002 379 2HB ALA 49 2HB ALA 49 3.636 -3.390 -3.710 380 3HB ALA 49 1HB ALA 49 3.860 -1.965 -2.696 381 1HA GLY 50 2HA GLY 50 -0.451 0.227 -0.608 382 2HA GLY 50 1HA GLY 50 0.182 0.571 -2.210 383 H GLY 50 H GLY 50 1.055 -1.630 -0.464 384 1HB TRP 51 2HB TRP 51 1.780 4.725 -2.315 385 2HB TRP 51 1HB TRP 51 3.246 5.304 -1.528 386 H TRP 51 H TRP 51 1.328 2.376 -2.276 387 HA TRP 51 HA TRP 51 3.599 2.889 -0.761 388 HD1 TRP 51 HD1 TRP 51 2.045 3.339 -4.543 389 HE1 TRP 51 HE1 TRP 51 4.051 2.856 -6.087 390 HE3 TRP 51 HE3 TRP 51 5.832 4.907 -1.481 391 HZ2 TRP 51 HZ2 TRP 51 6.859 3.115 -6.019 392 HZ3 TRP 51 HZ3 TRP 51 8.150 4.756 -2.299 393 HH2 TRP 51 HH2 TRP 51 8.650 3.880 -4.522 394 1HB MET 52 2HB MET 52 2.538 4.420 4.529 395 2HB MET 52 1HB MET 52 1.801 3.330 3.364 396 1HG MET 52 2HG MET 52 3.919 2.433 2.749 397 2HG MET 52 1HG MET 52 4.770 3.659 3.687 398 H MET 52 H MET 52 4.029 4.396 0.916 399 HA MET 52 HA MET 52 1.804 5.515 2.397 400 1HE MET 52 3HE MET 52 4.005 0.461 3.231 401 2HE MET 52 2HE MET 52 4.575 -0.288 4.722 402 3HE MET 52 1HE MET 52 2.845 -0.098 4.435 403 H ALA 53 H ALA 53 3.008 6.201 4.721 404 HA ALA 53 HA ALA 53 4.453 8.466 4.132 405 1HB ALA 53 3HB ALA 53 4.764 8.744 6.406 406 2HB ALA 53 1HB ALA 53 4.967 7.017 6.695 407 3HB ALA 53 2HB ALA 53 3.366 7.671 6.351 408 1HB LYS 54 2HB LYS 54 8.222 6.830 5.842 409 2HB LYS 54 1HB LYS 54 9.270 6.048 4.669 410 1HG LYS 54 2HG LYS 54 10.957 6.859 5.865 411 2HG LYS 54 1HG LYS 54 10.562 8.422 5.150 412 1HD LYS 54 2HD LYS 54 9.387 9.127 7.033 413 2HD LYS 54 1HD LYS 54 9.174 7.480 7.633 414 1HE LYS 54 2HE LYS 54 10.940 7.805 8.941 415 2HE LYS 54 1HE LYS 54 11.934 7.854 7.485 416 H LYS 54 H LYS 54 6.649 9.044 4.291 417 HA LYS 54 HA LYS 54 8.888 8.820 3.970 418 1HZ LYS 54 2HZ LYS 54 10.660 10.351 7.926 419 2HZ LYS 54 1HZ LYS 54 11.546 9.893 9.291 420 3HZ LYS 54 3HZ LYS 54 12.308 10.003 7.783 421 1HA GLY 55 1HA GLY 55 8.409 6.670 0.102 422 2HA GLY 55 2HA GLY 55 6.658 6.494 0.084 423 H GLY 55 H GLY 55 6.606 7.144 2.315 424 1HB ARG 56 2HB ARG 56 7.904 3.199 4.228 425 2HB ARG 56 1HB ARG 56 6.279 2.603 3.916 426 1HG ARG 56 2HG ARG 56 7.017 0.383 3.704 427 2HG ARG 56 1HG ARG 56 8.707 0.874 3.569 428 1HD ARG 56 2HD ARG 56 7.293 1.688 6.032 429 2HD ARG 56 1HD ARG 56 7.607 -0.036 5.843 430 1HH1 ARG 56 1HH1 ARG 56 7.758 2.479 7.447 431 2HH1 ARG 56 2HH1 ARG 56 8.986 3.160 8.461 432 1HH2 ARG 56 1HH2 ARG 56 11.632 1.584 6.804 433 2HH2 ARG 56 2HH2 ARG 56 11.189 2.650 8.095 434 H ARG 56 H ARG 56 7.089 4.819 2.657 435 HA ARG 56 HA ARG 56 8.476 2.479 1.854 436 HE ARG 56 HE ARG 56 10.006 0.694 5.475 437 H VAL 57 H VAL 57 7.724 0.531 1.057 438 HA VAL 57 HA VAL 57 4.912 0.433 0.211 439 HB VAL 57 HB VAL 57 5.352 0.281 -1.974 440 1HG1 VAL 57 1HG1 VAL 57 7.922 1.325 -0.881 441 2HG1 VAL 57 3HG1 VAL 57 7.779 1.014 -2.610 442 3HG1 VAL 57 2HG1 VAL 57 6.680 2.149 -1.825 443 1HG2 VAL 57 3HG2 VAL 57 7.682 -1.501 -1.280 444 2HG2 VAL 57 2HG2 VAL 57 6.077 -2.006 -1.806 445 3HG2 VAL 57 1HG2 VAL 57 7.143 -1.152 -2.921 446 1HA GLY 58 2HA GLY 58 4.837 -3.463 2.094 447 2HA GLY 58 1HA GLY 58 5.400 -3.987 0.514 448 H GLY 58 H GLY 58 3.945 -1.534 0.347 449 1HB TYR 59 2HB TYR 59 1.208 -7.361 -0.943 450 2HB TYR 59 1HB TYR 59 1.559 -5.745 -1.551 451 H TYR 59 H TYR 59 3.979 -5.845 1.043 452 HA TYR 59 HA TYR 59 1.134 -5.273 0.663 453 HD1 TYR 59 HD1 TYR 59 4.021 -5.049 -1.734 454 HD2 TYR 59 HD2 TYR 59 2.784 -9.088 -1.163 455 HE1 TYR 59 HE1 TYR 59 6.200 -5.830 -2.559 456 HE2 TYR 59 HE2 TYR 59 4.960 -9.872 -1.994 457 HH TYR 59 HH TYR 59 7.119 -9.203 -2.423 458 1HB PRO 60 2HB PRO 60 -1.008 -7.736 4.995 459 2HB PRO 60 1HB PRO 60 0.435 -6.876 5.532 460 1HG PRO 60 2HG PRO 60 -1.609 -6.079 3.516 461 2HG PRO 60 1HG PRO 60 -0.747 -5.079 4.697 462 1HD PRO 60 2HD PRO 60 -0.087 -5.114 2.082 463 2HD PRO 60 1HD PRO 60 1.122 -4.891 3.360 464 HA PRO 60 HA PRO 60 1.557 -8.254 4.108 465 1HG1 ILE 61 2HG1 ILE 61 2.258 -10.349 0.903 466 2HG1 ILE 61 1HG1 ILE 61 2.230 -11.425 -0.490 467 H ILE 61 H ILE 61 1.545 -10.068 2.737 468 HA ILE 61 HA ILE 61 -0.959 -10.939 1.557 469 HB ILE 61 HB ILE 61 1.558 -12.571 1.602 470 1HG2 ILE 61 3HG2 ILE 61 -0.992 -12.830 0.422 471 2HG2 ILE 61 2HG2 ILE 61 0.157 -12.522 -0.881 472 3HG2 ILE 61 1HG2 ILE 61 0.415 -13.876 0.219 473 1HD1 ILE 61 1HD1 ILE 61 -0.167 -9.769 0.091 474 2HD1 ILE 61 3HD1 ILE 61 1.249 -9.015 -0.642 475 3HD1 ILE 61 2HD1 ILE 61 0.451 -10.364 -1.451 476 H VAL 62 H VAL 62 -2.393 -12.083 2.646 477 HA VAL 62 HA VAL 62 -1.559 -13.562 5.029 478 HB VAL 62 HB VAL 62 -4.287 -12.742 4.033 479 1HG1 VAL 62 1HG1 VAL 62 -3.587 -14.909 5.760 480 2HG1 VAL 62 3HG1 VAL 62 -4.438 -13.674 6.688 481 3HG1 VAL 62 2HG1 VAL 62 -5.185 -14.367 5.249 482 1HG2 VAL 62 3HG2 VAL 62 -2.561 -11.155 5.232 483 2HG2 VAL 62 2HG2 VAL 62 -4.279 -11.103 5.629 484 3HG2 VAL 62 1HG2 VAL 62 -3.158 -11.973 6.676 485 1HB LYS 63 2HB LYS 63 -5.172 -15.494 1.705 486 2HB LYS 63 1HB LYS 63 -4.565 -15.763 0.078 487 1HG LYS 63 2HG LYS 63 -4.572 -18.183 0.488 488 2HG LYS 63 1HG LYS 63 -5.227 -17.894 2.101 489 1HD LYS 63 2HD LYS 63 -7.286 -17.248 1.298 490 2HD LYS 63 1HD LYS 63 -6.638 -16.748 -0.264 491 1HE LYS 63 2HE LYS 63 -7.926 -18.732 -0.597 492 2HE LYS 63 1HE LYS 63 -6.223 -19.145 -0.788 493 H LYS 63 H LYS 63 -2.997 -14.009 1.860 494 HA LYS 63 HA LYS 63 -2.992 -16.921 2.317 495 1HZ LYS 63 2HZ LYS 63 -6.276 -19.916 1.565 496 2HZ LYS 63 1HZ LYS 63 -7.954 -19.709 1.552 497 3HZ LYS 63 3HZ LYS 63 -7.233 -20.831 0.511 498 1HB PRO 64 2HB PRO 64 0.913 -19.056 0.179 499 2HB PRO 64 1HB PRO 64 2.067 -17.722 0.130 500 1HG PRO 64 2HG PRO 64 1.118 -18.652 2.449 501 2HG PRO 64 1HG PRO 64 1.441 -16.928 2.206 502 1HD PRO 64 2HD PRO 64 -1.162 -18.383 2.252 503 2HD PRO 64 1HD PRO 64 -0.768 -16.750 2.828 504 HA PRO 64 HA PRO 64 0.497 -16.223 -0.599 505 1HA GLY 65 2HA GLY 65 -1.196 -18.265 -4.015 506 2HA GLY 65 1HA GLY 65 -0.071 -19.576 -3.692 507 H GLY 65 H GLY 65 1.115 -17.371 -2.573 508 1HB PRO 66 2HB PRO 66 0.353 -18.578 -9.453 509 2HB PRO 66 1HB PRO 66 0.979 -20.008 -8.628 510 1HG PRO 66 2HG PRO 66 -1.649 -18.617 -8.281 511 2HG PRO 66 1HG PRO 66 -1.304 -20.355 -8.360 512 1HD PRO 66 2HD PRO 66 -1.729 -19.065 -6.020 513 2HD PRO 66 1HD PRO 66 -0.623 -20.448 -6.157 514 HA PRO 66 HA PRO 66 2.092 -18.449 -7.365 515 1HB ASN 67 2HB ASN 67 0.324 -15.103 -9.746 516 2HB ASN 67 1HB ASN 67 0.887 -13.437 -9.830 517 1HD2 ASN 67 1HD2 ASN 67 1.813 -16.747 -10.637 518 2HD2 ASN 67 2HD2 ASN 67 2.712 -16.338 -12.055 519 H ASN 67 H ASN 67 2.863 -16.561 -8.064 520 HA ASN 67 HA ASN 67 3.019 -14.370 -8.647 521 1HB CYS 68 2HB CYS 68 -1.075 -14.287 -5.829 522 2HB CYS 68 1HB CYS 68 -1.163 -13.720 -4.165 523 H CYS 68 H CYS 68 1.675 -15.307 -6.048 524 HA CYS 68 HA CYS 68 1.246 -12.697 -4.983 525 1HA GLY 69 2HA GLY 69 2.079 -15.635 -1.746 526 2HA GLY 69 1HA GLY 69 3.119 -14.262 -1.387 527 H GLY 69 H GLY 69 3.078 -13.873 -3.895 528 1HB PHE 70 2HB PHE 70 7.362 -14.483 -1.033 529 2HB PHE 70 1HB PHE 70 8.444 -15.863 -1.180 530 H PHE 70 H PHE 70 5.241 -14.614 -1.312 531 HA PHE 70 HA PHE 70 6.547 -16.518 -3.011 532 HD1 PHE 70 HD1 PHE 70 6.873 -13.087 -3.033 533 HD2 PHE 70 HD2 PHE 70 9.868 -16.110 -3.043 534 HE1 PHE 70 HE1 PHE 70 7.885 -12.072 -5.032 535 HE2 PHE 70 HE2 PHE 70 10.886 -15.100 -5.042 536 HZ PHE 70 HZ PHE 70 9.894 -13.079 -6.040 537 1HA GLY 71 1HA GLY 71 6.238 -19.352 0.458 538 2HA GLY 71 2HA GLY 71 4.482 -19.312 0.355 539 H GLY 71 H GLY 71 4.696 -16.966 -0.365 540 1HB LYS 72 2HB LYS 72 7.375 -15.500 2.973 541 2HB LYS 72 1HB LYS 72 6.266 -14.466 3.865 542 1HG LYS 72 2HG LYS 72 6.867 -15.898 5.900 543 2HG LYS 72 1HG LYS 72 8.220 -16.474 4.925 544 1HD LYS 72 2HD LYS 72 7.814 -13.545 5.045 545 2HD LYS 72 1HD LYS 72 8.380 -14.330 6.520 546 1HE LYS 72 2HE LYS 72 9.672 -14.592 3.807 547 2HE LYS 72 1HE LYS 72 10.227 -13.525 5.096 548 H LYS 72 H LYS 72 5.910 -16.456 1.549 549 HA LYS 72 HA LYS 72 5.765 -17.301 4.332 550 1HZ LYS 72 1HZ LYS 72 9.985 -16.463 5.406 551 2HZ LYS 72 3HZ LYS 72 11.418 -15.691 4.940 552 3HZ LYS 72 2HZ LYS 72 10.742 -15.377 6.458 553 H THR 73 H THR 73 4.869 -15.316 5.766 554 HA THR 73 HA THR 73 2.325 -14.379 4.665 555 HB THR 73 HB THR 73 1.234 -15.043 6.893 556 HG1 THR 73 HG1 THR 73 3.548 -15.771 7.578 557 1HG2 THR 73 1HG2 THR 73 1.552 -16.421 4.443 558 2HG2 THR 73 3HG2 THR 73 1.621 -17.625 5.730 559 3HG2 THR 73 2HG2 THR 73 0.227 -16.551 5.600 560 1HA GLY 74 2HA GLY 74 3.732 -11.111 7.245 561 2HA GLY 74 1HA GLY 74 2.002 -10.799 7.186 562 H GLY 74 H GLY 74 2.190 -12.273 5.035 563 1HG1 ILE 75 1HG1 ILE 75 1.824 -5.437 5.543 564 2HG1 ILE 75 2HG1 ILE 75 1.695 -6.400 7.010 565 H ILE 75 H ILE 75 3.379 -8.598 7.170 566 HA ILE 75 HA ILE 75 2.785 -7.380 4.693 567 HB ILE 75 HB ILE 75 4.134 -6.480 7.196 568 1HG2 ILE 75 1HG2 ILE 75 4.267 -5.041 4.557 569 2HG2 ILE 75 3HG2 ILE 75 4.474 -4.230 6.109 570 3HG2 ILE 75 2HG2 ILE 75 5.601 -5.494 5.616 571 1HD1 ILE 75 2HD1 ILE 75 2.829 -4.549 8.231 572 2HD1 ILE 75 1HD1 ILE 75 2.715 -3.587 6.758 573 3HD1 ILE 75 3HD1 ILE 75 1.248 -4.137 7.567 574 1HG1 ILE 76 2HG1 ILE 76 3.910 -9.255 2.220 575 2HG1 ILE 76 1HG1 ILE 76 3.866 -9.657 0.508 576 H ILE 76 H ILE 76 3.882 -7.526 2.868 577 HA ILE 76 HA ILE 76 6.697 -8.292 2.912 578 HB ILE 76 HB ILE 76 5.207 -7.816 0.374 579 1HG2 ILE 76 3HG2 ILE 76 7.642 -8.455 0.532 580 2HG2 ILE 76 2HG2 ILE 76 7.098 -10.030 1.108 581 3HG2 ILE 76 1HG2 ILE 76 6.635 -9.472 -0.500 582 1HD1 ILE 76 2HD1 ILE 76 6.089 -10.871 1.957 583 2HD1 ILE 76 1HD1 ILE 76 4.490 -11.388 2.493 584 3HD1 ILE 76 3HD1 ILE 76 4.956 -11.572 0.803 585 1HB ASP 77 2HB ASP 77 6.460 -3.082 3.161 586 2HB ASP 77 1HB ASP 77 7.170 -3.976 4.501 587 H ASP 77 H ASP 77 7.600 -6.322 3.641 588 HA ASP 77 HA ASP 77 7.664 -4.231 1.571 589 1HB TYR 78 2HB TYR 78 11.245 -4.506 -0.571 590 2HB TYR 78 1HB TYR 78 12.815 -3.830 -0.150 591 H TYR 78 H TYR 78 9.630 -4.073 0.753 592 HA TYR 78 HA TYR 78 11.921 -5.112 2.177 593 HD1 TYR 78 HD1 TYR 78 14.383 -5.520 1.195 594 HD2 TYR 78 HD2 TYR 78 11.189 -6.667 -1.372 595 HE1 TYR 78 HE1 TYR 78 15.418 -7.731 0.905 596 HE2 TYR 78 HE2 TYR 78 12.216 -8.882 -1.668 597 HH TYR 78 HH TYR 78 15.100 -9.641 -1.273 598 1HA GLY 79 2HA GLY 79 12.672 -1.059 3.763 599 2HA GLY 79 1HA GLY 79 10.995 -0.529 3.882 600 H GLY 79 H GLY 79 10.377 -2.470 2.795 601 1HG1 ILE 80 2HG1 ILE 80 11.836 3.264 4.073 602 2HG1 ILE 80 1HG1 ILE 80 11.980 4.989 3.757 603 H ILE 80 H ILE 80 12.186 1.571 3.431 604 HA ILE 80 HA ILE 80 11.534 2.537 0.932 605 HB ILE 80 HB ILE 80 13.751 3.660 2.634 606 1HG2 ILE 80 2HG2 ILE 80 13.142 4.506 0.240 607 2HG2 ILE 80 1HG2 ILE 80 11.786 5.269 1.069 608 3HG2 ILE 80 3HG2 ILE 80 13.441 5.659 1.539 609 1HD1 ILE 80 3HD1 ILE 80 10.297 4.037 1.761 610 2HD1 ILE 80 2HD1 ILE 80 9.791 3.207 3.233 611 3HD1 ILE 80 1HD1 ILE 80 9.848 4.969 3.190 612 1HB ARG 81 2HB ARG 81 13.390 1.973 -3.570 613 2HB ARG 81 1HB ARG 81 14.614 0.728 -3.365 614 1HG ARG 81 2HG ARG 81 12.470 0.505 -1.420 615 2HG ARG 81 1HG ARG 81 11.895 0.407 -3.086 616 1HD ARG 81 2HD ARG 81 14.276 -1.175 -2.200 617 2HD ARG 81 1HD ARG 81 12.645 -1.757 -1.873 618 1HH1 ARG 81 2HH1 ARG 81 14.291 -3.344 -2.395 619 2HH1 ARG 81 1HH1 ARG 81 14.552 -4.546 -3.614 620 1HH2 ARG 81 2HH2 ARG 81 13.079 -2.680 -6.179 621 2HH2 ARG 81 1HH2 ARG 81 13.862 -4.169 -5.766 622 H ARG 81 H ARG 81 12.583 2.803 -0.988 623 HA ARG 81 HA ARG 81 15.196 1.465 -1.234 624 HE ARG 81 HE ARG 81 12.740 -1.105 -4.565 625 1HB LEU 82 2HB LEU 82 17.167 4.707 -1.736 626 2HB LEU 82 1HB LEU 82 17.196 5.986 -2.931 627 H LEU 82 H LEU 82 14.191 4.405 -0.771 628 HA LEU 82 HA LEU 82 14.994 6.485 -1.212 629 HG LEU 82 HG LEU 82 18.611 6.574 -1.061 630 1HD1 LEU 82 3HD1 LEU 82 16.801 8.208 -2.195 631 2HD1 LEU 82 2HD1 LEU 82 16.333 8.358 -0.502 632 3HD1 LEU 82 1HD1 LEU 82 17.982 8.738 -0.998 633 1HD2 LEU 82 2HD2 LEU 82 16.133 6.198 0.613 634 2HD2 LEU 82 1HD2 LEU 82 17.616 5.248 0.681 635 3HD2 LEU 82 3HD2 LEU 82 17.629 6.939 1.182 636 1HB ASN 83 2HB ASN 83 14.650 3.756 -5.826 637 2HB ASN 83 1HB ASN 83 13.404 4.211 -6.986 638 1HD2 ASN 83 1HD2 ASN 83 15.645 6.532 -5.711 639 2HD2 ASN 83 2HD2 ASN 83 16.558 6.750 -7.160 640 H ASN 83 H ASN 83 13.962 4.384 -3.575 641 HA ASN 83 HA ASN 83 13.817 6.548 -5.566 642 1HB ARG 84 2HB ARG 84 8.334 7.692 -4.130 643 2HB ARG 84 1HB ARG 84 9.641 7.437 -2.982 644 1HG ARG 84 2HG ARG 84 10.605 8.788 -5.331 645 2HG ARG 84 1HG ARG 84 9.240 9.649 -4.624 646 1HD ARG 84 2HD ARG 84 10.843 8.871 -2.466 647 2HD ARG 84 1HD ARG 84 11.958 9.456 -3.701 648 1HH1 ARG 84 2HH1 ARG 84 12.099 10.848 -5.012 649 2HH1 ARG 84 1HH1 ARG 84 12.163 12.566 -5.224 650 1HH2 ARG 84 1HH2 ARG 84 10.100 13.274 -2.493 651 2HH2 ARG 84 2HH2 ARG 84 11.029 13.943 -3.793 652 H ARG 84 H ARG 84 11.835 7.242 -4.604 653 HA ARG 84 HA ARG 84 9.588 5.511 -4.367 654 HE ARG 84 HE ARG 84 10.020 11.010 -2.221 655 1HB SER 85 2HB SER 85 11.708 6.431 -8.977 656 2HB SER 85 1HB SER 85 10.869 5.699 -10.345 657 H SER 85 H SER 85 10.966 5.658 -7.010 658 HA SER 85 HA SER 85 8.838 6.729 -8.712 659 HG SER 85 HG SER 85 9.968 7.630 -10.841 660 1HB GLU 86 2HB GLU 86 7.756 1.574 -6.495 661 2HB GLU 86 1HB GLU 86 8.829 0.479 -7.357 662 1HG GLU 86 2HG GLU 86 9.915 2.989 -6.166 663 2HG GLU 86 1HG GLU 86 9.602 1.589 -5.143 664 H GLU 86 H GLU 86 9.325 3.963 -7.149 665 HA GLU 86 HA GLU 86 9.163 1.945 -9.096 666 1HB ARG 87 2HB ARG 87 5.608 -0.399 -11.127 667 2HB ARG 87 1HB ARG 87 4.181 0.570 -11.461 668 1HG ARG 87 2HG ARG 87 5.350 1.783 -12.888 669 2HG ARG 87 1HG ARG 87 6.411 2.299 -11.577 670 1HD ARG 87 2HD ARG 87 6.779 -0.307 -13.031 671 2HD ARG 87 1HD ARG 87 7.524 1.198 -13.571 672 1HH1 ARG 87 2HH1 ARG 87 8.091 -1.513 -13.317 673 2HH1 ARG 87 1HH1 ARG 87 9.411 -2.404 -12.635 674 1HH2 ARG 87 2HH2 ARG 87 10.148 -0.005 -10.200 675 2HH2 ARG 87 1HH2 ARG 87 10.580 -1.546 -10.861 676 H ARG 87 H ARG 87 7.167 0.445 -9.194 677 HA ARG 87 HA ARG 87 4.788 2.118 -9.665 678 HE ARG 87 HE ARG 87 8.408 1.159 -11.106 679 1HB TRP 88 2HB TRP 88 3.805 1.074 -5.269 680 2HB TRP 88 1HB TRP 88 2.784 -0.273 -4.785 681 H TRP 88 H TRP 88 3.717 1.787 -7.760 682 HA TRP 88 HA TRP 88 2.833 -0.975 -7.252 683 HD1 TRP 88 HD1 TRP 88 6.229 0.588 -4.727 684 HE1 TRP 88 HE1 TRP 88 7.762 -1.479 -4.741 685 HE3 TRP 88 HE3 TRP 88 2.843 -2.913 -6.262 686 HZ2 TRP 88 HZ2 TRP 88 7.554 -4.239 -5.319 687 HZ3 TRP 88 HZ3 TRP 88 3.587 -5.244 -6.522 688 HH2 TRP 88 HH2 TRP 88 5.896 -5.891 -6.061 689 1HB ASP 89 2HB ASP 89 -0.833 -0.972 -4.504 690 2HB ASP 89 1HB ASP 89 -2.173 0.158 -4.323 691 H ASP 89 H ASP 89 1.321 -0.001 -4.923 692 HA ASP 89 HA ASP 89 -0.870 1.358 -6.346 693 H ALA 90 H ALA 90 -2.172 1.282 -3.526 694 HA ALA 90 HA ALA 90 -0.598 3.092 -1.969 695 1HB ALA 90 2HB ALA 90 -1.187 4.770 -3.483 696 2HB ALA 90 3HB ALA 90 -2.328 4.963 -2.150 697 3HB ALA 90 1HB ALA 90 -2.840 4.174 -3.641 698 1HB TYR 91 2HB TYR 91 -0.982 1.690 2.104 699 2HB TYR 91 1HB TYR 91 -2.418 1.316 3.049 700 H TYR 91 H TYR 91 -1.071 2.605 0.054 701 HA TYR 91 HA TYR 91 -3.589 1.307 0.687 702 HD1 TYR 91 HD1 TYR 91 -3.870 -0.611 1.543 703 HD2 TYR 91 HD2 TYR 91 0.346 -0.186 1.912 704 HE1 TYR 91 HE1 TYR 91 -3.594 -2.997 1.031 705 HE2 TYR 91 HE2 TYR 91 0.638 -2.572 1.395 706 HH TYR 91 HH TYR 91 -0.407 -4.420 0.574 707 1HB CYS 92 2HB CYS 92 -6.854 4.182 0.276 708 2HB CYS 92 1HB CYS 92 -7.245 5.600 1.240 709 H CYS 92 H CYS 92 -4.790 3.302 0.189 710 HA CYS 92 HA CYS 92 -4.616 5.698 1.531 711 1HB TYR 93 2HB TYR 93 -4.591 4.767 5.672 712 2HB TYR 93 1HB TYR 93 -4.765 6.472 6.079 713 H TYR 93 H TYR 93 -5.899 6.582 3.271 714 HA TYR 93 HA TYR 93 -7.074 4.747 5.173 715 HD1 TYR 93 HD1 TYR 93 -7.160 6.669 7.626 716 HD2 TYR 93 HD2 TYR 93 -4.288 3.528 7.595 717 HE1 TYR 93 HE1 TYR 93 -7.815 6.057 9.913 718 HE2 TYR 93 HE2 TYR 93 -4.938 2.906 9.883 719 HH TYR 93 HH TYR 93 -7.730 3.966 11.356 720 1HB ASN 94 2HB ASN 94 -8.988 8.886 4.532 721 2HB ASN 94 1HB ASN 94 -10.340 7.774 4.327 722 1HD2 ASN 94 1HD2 ASN 94 -11.058 9.973 3.397 723 2HD2 ASN 94 2HD2 ASN 94 -11.966 10.965 4.482 724 H ASN 94 H ASN 94 -8.816 5.683 5.983 725 HA ASN 94 HA ASN 94 -8.880 8.362 6.910 726 1HB PRO 95 2HB PRO 95 -12.577 8.061 10.894 727 2HB PRO 95 1HB PRO 95 -11.206 6.969 11.118 728 1HG PRO 95 2HG PRO 95 -11.267 9.730 9.978 729 2HG PRO 95 1HG PRO 95 -10.073 8.990 11.058 730 1HD PRO 95 2HD PRO 95 -9.629 9.287 8.417 731 2HD PRO 95 1HD PRO 95 -9.002 7.899 9.328 732 HA PRO 95 HA PRO 95 -11.940 6.008 9.180 733 1HB HIS 96 2HB HIS 96 -14.112 10.794 7.948 734 2HB HIS 96 1HB HIS 96 -13.701 10.851 6.237 735 H HIS 96 H HIS 96 -12.338 8.695 7.174 736 HA HIS 96 HA HIS 96 -15.267 8.580 7.465 737 HD1 HIS 96 HD1 HIS 96 -15.161 12.985 5.946 738 HD2 HIS 96 HD2 HIS 96 -17.262 9.616 7.171 739 HE1 HIS 96 HE1 HIS 96 -17.589 13.552 5.619 740 HE2 HIS 96 HE2 HIS 96 -18.841 11.485 6.333 741 H ALA 97 H ALA 97 -12.929 7.315 5.674 742 HA ALA 97 HA ALA 97 -13.917 7.877 3.022 743 1HB ALA 97 1HB ALA 97 -11.941 5.775 3.901 744 2HB ALA 97 3HB ALA 97 -12.212 6.350 2.256 745 3HB ALA 97 2HB ALA 97 -11.525 7.432 3.467 746 1HB LYS 98 2HB LYS 98 -16.988 5.477 6.005 747 2HB LYS 98 1HB LYS 98 -18.446 4.775 5.316 748 1HG LYS 98 2HG LYS 98 -17.724 2.877 6.242 749 2HG LYS 98 1HG LYS 98 -16.629 2.803 4.860 750 1HD LYS 98 2HD LYS 98 -15.106 4.298 6.395 751 2HD LYS 98 1HD LYS 98 -16.076 3.581 7.685 752 1HE LYS 98 2HE LYS 98 -15.224 1.497 7.359 753 2HE LYS 98 1HE LYS 98 -14.981 1.748 5.630 754 H LYS 98 H LYS 98 -16.067 7.035 4.356 755 HA LYS 98 HA LYS 98 -16.463 4.269 3.419 756 1HZ LYS 98 2HZ LYS 98 -13.330 3.238 7.553 757 2HZ LYS 98 1HZ LYS 98 -12.953 1.624 7.214 758 3HZ LYS 98 3HZ LYS 98 -12.969 2.770 5.969 No H/Q in entry = 758 Start of MODEL 5 1 1HA GLY 1 2HA GLY 1 -10.620 2.518 7.921 2 2HA GLY 1 1HA GLY 1 -9.217 1.948 8.812 3 H1 GLY 1 2H GLY 1 -9.216 4.784 8.282 4 H2 GLY 1 1H GLY 1 -10.484 4.267 9.276 5 H3 GLY 1 3H GLY 1 -8.879 3.948 9.714 6 H VAL 2 H VAL 2 -7.342 1.657 7.753 7 HA VAL 2 HA VAL 2 -6.701 3.059 5.335 8 HB VAL 2 HB VAL 2 -4.811 2.545 6.590 9 1HG1 VAL 2 2HG1 VAL 2 -6.296 0.137 7.264 10 2HG1 VAL 2 1HG1 VAL 2 -4.584 -0.171 6.977 11 3HG1 VAL 2 3HG1 VAL 2 -5.076 1.012 8.190 12 1HG2 VAL 2 3HG2 VAL 2 -5.003 1.558 4.053 13 2HG2 VAL 2 2HG2 VAL 2 -3.512 1.672 4.986 14 3HG2 VAL 2 1HG2 VAL 2 -4.415 0.157 4.947 15 1HB TYR 3 2HB TYR 3 -9.326 0.662 0.937 16 2HB TYR 3 1HB TYR 3 -9.868 0.810 2.603 17 H TYR 3 H TYR 3 -6.988 2.443 3.278 18 HA TYR 3 HA TYR 3 -7.818 -0.324 2.755 19 HD1 TYR 3 HD1 TYR 3 -8.486 3.128 3.627 20 HD2 TYR 3 HD2 TYR 3 -10.087 2.473 -0.258 21 HE1 TYR 3 HE1 TYR 3 -8.746 5.555 3.332 22 HE2 TYR 3 HE2 TYR 3 -10.348 4.897 -0.566 23 HH TYR 3 HH TYR 3 -9.591 6.953 0.269 24 1HB HIS 4 2HB HIS 4 -4.694 -2.001 -1.189 25 2HB HIS 4 1HB HIS 4 -6.187 -2.456 -0.379 26 H HIS 4 H HIS 4 -7.632 -0.913 0.434 27 HA HIS 4 HA HIS 4 -5.101 0.114 -0.594 28 HD1 HIS 4 HD1 HIS 4 -8.352 -2.582 -1.944 29 HD2 HIS 4 HD2 HIS 4 -4.701 -2.322 -3.910 30 HE1 HIS 4 HE1 HIS 4 -8.814 -3.283 -4.314 31 HE2 HIS 4 HE2 HIS 4 -6.605 -3.046 -5.503 32 1HB ARG 5 2HB ARG 5 -5.567 3.459 -3.189 33 2HB ARG 5 1HB ARG 5 -6.423 3.659 -4.711 34 1HG ARG 5 2HG ARG 5 -7.599 3.062 -2.009 35 2HG ARG 5 1HG ARG 5 -7.804 4.520 -2.982 36 1HD ARG 5 2HD ARG 5 -8.583 2.002 -4.292 37 2HD ARG 5 1HD ARG 5 -9.573 2.475 -2.912 38 1HH1 ARG 5 2HH1 ARG 5 -7.960 2.512 -5.907 39 2HH1 ARG 5 1HH1 ARG 5 -8.313 3.300 -7.408 40 1HH2 ARG 5 2HH2 ARG 5 -10.760 5.404 -6.064 41 2HH2 ARG 5 1HH2 ARG 5 -9.904 4.944 -7.498 42 H ARG 5 H ARG 5 -4.826 0.892 -2.671 43 HA ARG 5 HA ARG 5 -7.184 1.212 -4.363 44 HE ARG 5 HE ARG 5 -10.289 4.359 -4.090 45 1HB GLU 6 2HB GLU 6 -6.639 0.411 -8.412 46 2HB GLU 6 1HB GLU 6 -5.470 0.904 -9.629 47 1HG GLU 6 2HG GLU 6 -5.348 -1.420 -9.601 48 2HG GLU 6 1HG GLU 6 -3.951 -0.894 -8.664 49 H GLU 6 H GLU 6 -6.697 1.710 -6.557 50 HA GLU 6 HA GLU 6 -3.975 0.911 -7.311 51 H ALA 7 H ALA 7 -3.752 1.827 -9.828 52 HA ALA 7 HA ALA 7 -3.144 4.586 -9.435 53 1HB ALA 7 1HB ALA 7 -3.138 3.478 -12.177 54 2HB ALA 7 2HB ALA 7 -2.077 2.704 -11.001 55 3HB ALA 7 3HB ALA 7 -1.917 4.429 -11.333 56 1HB ARG 8 2HB ARG 8 -4.125 7.208 -13.298 57 2HB ARG 8 1HB ARG 8 -5.697 7.315 -14.078 58 1HG ARG 8 2HG ARG 8 -6.222 8.871 -12.010 59 2HG ARG 8 1HG ARG 8 -4.469 9.074 -12.032 60 1HD ARG 8 2HD ARG 8 -4.543 9.820 -14.327 61 2HD ARG 8 1HD ARG 8 -6.274 9.501 -14.407 62 1HH1 ARG 8 1HH1 ARG 8 -3.268 10.716 -13.199 63 2HH1 ARG 8 2HH1 ARG 8 -2.810 12.263 -12.569 64 1HH2 ARG 8 1HH2 ARG 8 -6.076 13.502 -12.439 65 2HH2 ARG 8 2HH2 ARG 8 -4.406 13.847 -12.138 66 H ARG 8 H ARG 8 -3.704 5.852 -11.764 67 HA ARG 8 HA ARG 8 -6.283 6.816 -11.397 68 HE ARG 8 HE ARG 8 -6.670 11.462 -13.267 69 1HB SER 9 2HB SER 9 -7.739 4.857 -15.262 70 2HB SER 9 1HB SER 9 -6.572 3.872 -16.145 71 H SER 9 H SER 9 -5.152 4.089 -13.209 72 HA SER 9 HA SER 9 -7.729 2.994 -13.501 73 HG SER 9 HG SER 9 -8.102 2.506 -16.660 74 1HA GLY 10 2HA GLY 10 -3.809 0.520 -14.283 75 2HA GLY 10 1HA GLY 10 -5.170 -0.470 -13.785 76 H GLY 10 H GLY 10 -5.398 1.990 -12.488 77 1HB LYS 11 2HB LYS 11 -4.042 -3.130 -10.734 78 2HB LYS 11 1HB LYS 11 -2.527 -3.794 -11.331 79 1HG LYS 11 2HG LYS 11 -1.510 -3.475 -9.141 80 2HG LYS 11 1HG LYS 11 -3.018 -2.785 -8.537 81 1HD LYS 11 2HD LYS 11 -3.364 -4.917 -7.852 82 2HD LYS 11 1HD LYS 11 -3.958 -5.097 -9.504 83 1HE LYS 11 2HE LYS 11 -1.427 -5.625 -10.000 84 2HE LYS 11 1HE LYS 11 -1.407 -6.036 -8.286 85 H LYS 11 H LYS 11 -3.293 -1.791 -12.980 86 HA LYS 11 HA LYS 11 -2.716 -1.007 -10.205 87 1HZ LYS 11 3HZ LYS 11 -3.592 -7.326 -9.071 88 2HZ LYS 11 2HZ LYS 11 -2.696 -7.399 -10.503 89 3HZ LYS 11 1HZ LYS 11 -2.052 -8.028 -9.070 90 1HB TYR 12 2HB TYR 12 1.038 -3.475 -11.410 91 2HB TYR 12 1HB TYR 12 2.701 -2.942 -11.179 92 H TYR 12 H TYR 12 -0.640 -1.641 -9.305 93 HA TYR 12 HA TYR 12 1.630 -1.428 -9.309 94 HD1 TYR 12 HD1 TYR 12 1.143 -2.662 -8.078 95 HD2 TYR 12 HD2 TYR 12 2.666 -5.592 -10.762 96 HE1 TYR 12 HE1 TYR 12 1.390 -4.239 -6.206 97 HE2 TYR 12 HE2 TYR 12 2.914 -7.178 -8.899 98 HH TYR 12 HH TYR 12 2.711 -6.242 -5.650 99 1HB LYS 13 2HB LYS 13 1.307 2.675 -13.618 100 2HB LYS 13 1HB LYS 13 1.529 0.933 -13.716 101 1HG LYS 13 2HG LYS 13 -0.545 0.483 -12.808 102 2HG LYS 13 1HG LYS 13 -0.665 2.066 -12.036 103 1HD LYS 13 2HD LYS 13 -2.138 2.278 -13.805 104 2HD LYS 13 1HD LYS 13 -0.656 2.964 -14.474 105 1HE LYS 13 2HE LYS 13 -0.263 1.139 -15.831 106 2HE LYS 13 1HE LYS 13 -1.218 0.053 -14.821 107 H LYS 13 H LYS 13 1.070 0.853 -10.081 108 HA LYS 13 HA LYS 13 2.981 1.645 -11.996 109 1HZ LYS 13 1HZ LYS 13 -3.115 1.706 -15.609 110 2HZ LYS 13 3HZ LYS 13 -2.082 1.854 -16.940 111 3HZ LYS 13 2HZ LYS 13 -2.680 0.335 -16.500 112 1HB LEU 14 2HB LEU 14 0.592 2.984 -7.595 113 2HB LEU 14 1HB LEU 14 0.817 4.617 -7.002 114 H LEU 14 H LEU 14 1.971 2.228 -9.300 115 HA LEU 14 HA LEU 14 1.243 5.063 -9.607 116 HG LEU 14 HG LEU 14 -1.181 3.753 -9.093 117 1HD1 LEU 14 3HD1 LEU 14 -1.250 3.789 -6.226 118 2HD1 LEU 14 2HD1 LEU 14 -2.424 4.933 -6.877 119 3HD1 LEU 14 1HD1 LEU 14 -2.477 3.240 -7.368 120 1HD2 LEU 14 1HD2 LEU 14 -0.050 6.170 -9.038 121 2HD2 LEU 14 3HD2 LEU 14 -1.746 5.918 -9.447 122 3HD2 LEU 14 2HD2 LEU 14 -1.298 6.419 -7.817 123 H THR 15 H THR 15 2.470 6.640 -8.695 124 HA THR 15 HA THR 15 5.084 5.820 -7.659 125 HB THR 15 HB THR 15 5.863 8.035 -8.142 126 HG1 THR 15 HG1 THR 15 4.415 9.655 -8.862 127 1HG2 THR 15 3HG2 THR 15 4.474 6.472 -10.176 128 2HG2 THR 15 2HG2 THR 15 4.656 8.169 -10.616 129 3HG2 THR 15 1HG2 THR 15 6.077 7.206 -10.213 130 1HB TYR 16 2HB TYR 16 6.780 8.130 -3.894 131 2HB TYR 16 1HB TYR 16 6.431 9.775 -4.418 132 H TYR 16 H TYR 16 5.680 8.232 -6.290 133 HA TYR 16 HA TYR 16 4.340 7.680 -3.792 134 HD1 TYR 16 HD1 TYR 16 5.366 7.471 -1.666 135 HD2 TYR 16 HD2 TYR 16 6.574 11.394 -2.790 136 HE1 TYR 16 HE1 TYR 16 5.226 8.179 0.682 137 HE2 TYR 16 HE2 TYR 16 6.435 12.115 -0.443 138 HH TYR 16 HH TYR 16 6.335 10.058 2.110 139 H ALA 17 H ALA 17 4.983 10.725 -5.531 140 HA ALA 17 HA ALA 17 3.092 12.261 -4.170 141 1HB ALA 17 1HB ALA 17 4.937 13.137 -5.593 142 2HB ALA 17 3HB ALA 17 3.999 12.672 -7.014 143 3HB ALA 17 2HB ALA 17 3.373 13.893 -5.904 144 1HB GLU 18 2HB GLU 18 1.817 8.536 -8.275 145 2HB GLU 18 1HB GLU 18 0.155 8.670 -8.834 146 1HG GLU 18 2HG GLU 18 0.654 10.504 -10.215 147 2HG GLU 18 1HG GLU 18 2.216 10.761 -9.440 148 H GLU 18 H GLU 18 2.768 10.102 -6.894 149 HA GLU 18 HA GLU 18 0.169 10.984 -7.684 150 H ALA 19 H ALA 19 1.392 8.276 -5.760 151 HA ALA 19 HA ALA 19 -1.031 7.030 -5.192 152 1HB ALA 19 3HB ALA 19 0.482 5.645 -4.328 153 2HB ALA 19 1HB ALA 19 0.526 6.698 -2.912 154 3HB ALA 19 2HB ALA 19 1.686 6.931 -4.221 155 1HB LYS 20 2HB LYS 20 1.171 10.964 -1.651 156 2HB LYS 20 1HB LYS 20 0.341 12.198 -2.587 157 1HG LYS 20 2HG LYS 20 -1.096 11.936 -0.189 158 2HG LYS 20 1HG LYS 20 0.614 11.951 0.249 159 1HD LYS 20 2HD LYS 20 -0.199 13.943 -1.763 160 2HD LYS 20 1HD LYS 20 -0.870 14.177 -0.147 161 1HE LYS 20 2HE LYS 20 1.083 15.335 0.077 162 2HE LYS 20 1HE LYS 20 1.627 13.735 0.577 163 H LYS 20 H LYS 20 0.613 9.678 -3.529 164 HA LYS 20 HA LYS 20 -1.112 9.875 -1.339 165 1HZ LYS 20 1HZ LYS 20 2.037 13.611 -2.053 166 2HZ LYS 20 3HZ LYS 20 2.301 15.262 -1.793 167 3HZ LYS 20 2HZ LYS 20 3.213 14.116 -0.947 168 H ALA 21 H ALA 21 -1.124 11.551 -4.469 169 HA ALA 21 HA ALA 21 -3.404 13.143 -3.917 170 1HB ALA 21 3HB ALA 21 -3.469 13.445 -6.410 171 2HB ALA 21 1HB ALA 21 -2.113 12.322 -6.512 172 3HB ALA 21 2HB ALA 21 -1.930 13.848 -5.648 173 H VAL 22 H VAL 22 -3.006 10.092 -5.706 174 HA VAL 22 HA VAL 22 -5.608 9.704 -6.543 175 HB VAL 22 HB VAL 22 -3.299 7.954 -5.981 176 1HG1 VAL 22 1HG1 VAL 22 -6.093 6.840 -6.133 177 2HG1 VAL 22 3HG1 VAL 22 -4.607 5.893 -6.223 178 3HG1 VAL 22 2HG1 VAL 22 -5.009 6.767 -4.744 179 1HG2 VAL 22 1HG2 VAL 22 -3.734 8.893 -8.189 180 2HG2 VAL 22 3HG2 VAL 22 -3.814 7.132 -8.220 181 3HG2 VAL 22 2HG2 VAL 22 -5.301 8.083 -8.233 182 1HB CYS 23 2HB CYS 23 -3.771 8.893 -1.306 183 2HB CYS 23 1HB CYS 23 -5.039 8.652 -0.110 184 H CYS 23 H CYS 23 -4.121 9.089 -3.428 185 HA CYS 23 HA CYS 23 -6.350 7.750 -2.262 186 1HB GLU 24 2HB GLU 24 -4.653 12.942 -1.191 187 2HB GLU 24 1HB GLU 24 -5.915 14.080 -1.639 188 1HG GLU 24 2HG GLU 24 -5.876 13.152 1.167 189 2HG GLU 24 1HG GLU 24 -4.576 14.224 0.654 190 H GLU 24 H GLU 24 -4.974 10.964 -1.643 191 HA GLU 24 HA GLU 24 -7.070 11.954 -0.102 192 1HB PHE 25 2HB PHE 25 -7.403 12.233 -5.820 193 2HB PHE 25 1HB PHE 25 -8.050 10.618 -5.556 194 H PHE 25 H PHE 25 -7.103 11.151 -3.354 195 HA PHE 25 HA PHE 25 -8.996 13.158 -4.209 196 HD1 PHE 25 HD1 PHE 25 -8.836 13.963 -6.904 197 HD2 PHE 25 HD2 PHE 25 -9.969 9.865 -6.695 198 HE1 PHE 25 HE1 PHE 25 -10.473 14.328 -8.705 199 HE2 PHE 25 HE2 PHE 25 -11.606 10.223 -8.497 200 HZ PHE 25 HZ PHE 25 -11.860 12.456 -9.504 201 1HB GLU 26 2HB GLU 26 -9.700 7.794 -2.587 202 2HB GLU 26 1HB GLU 26 -11.369 7.370 -2.242 203 1HG GLU 26 2HG GLU 26 -11.195 8.196 -4.956 204 2HG GLU 26 1HG GLU 26 -9.926 7.013 -4.642 205 H GLU 26 H GLU 26 -9.033 9.939 -2.910 206 HA GLU 26 HA GLU 26 -11.893 9.645 -3.433 207 1HA GLY 27 1HA GLY 27 -12.054 10.697 0.908 208 2HA GLY 27 2HA GLY 27 -10.870 11.995 0.831 209 H GLY 27 H GLY 27 -9.944 10.970 -1.119 210 1HA GLY 28 2HA GLY 28 -7.991 8.757 2.391 211 2HA GLY 28 1HA GLY 28 -8.125 10.088 3.533 212 H GLY 28 H GLY 28 -8.537 11.152 0.993 213 1HB HIS 29 2HB HIS 29 -2.536 10.852 3.489 214 2HB HIS 29 1HB HIS 29 -4.021 11.775 3.273 215 H HIS 29 H HIS 29 -5.768 8.721 3.289 216 HA HIS 29 HA HIS 29 -4.010 10.190 1.517 217 HD1 HIS 29 HD1 HIS 29 -5.504 11.950 5.257 218 HD2 HIS 29 HD2 HIS 29 -2.799 8.815 5.597 219 HE1 HIS 29 HE1 HIS 29 -5.812 11.047 7.583 220 HE2 HIS 29 HE2 HIS 29 -4.229 9.093 7.734 221 1HB LEU 30 2HB LEU 30 0.569 8.854 2.223 222 2HB LEU 30 1HB LEU 30 1.022 7.165 2.151 223 H LEU 30 H LEU 30 -1.627 9.515 2.077 224 HA LEU 30 HA LEU 30 -1.487 6.707 1.784 225 HG LEU 30 HG LEU 30 -0.326 8.725 -0.056 226 1HD1 LEU 30 3HD1 LEU 30 2.203 9.044 0.585 227 2HD1 LEU 30 2HD1 LEU 30 2.386 7.514 -0.272 228 3HD1 LEU 30 1HD1 LEU 30 1.702 8.914 -1.101 229 1HD2 LEU 30 2HD2 LEU 30 -0.980 6.338 0.040 230 2HD2 LEU 30 1HD2 LEU 30 -0.071 6.759 -1.412 231 3HD2 LEU 30 3HD2 LEU 30 0.724 5.902 -0.090 232 H ALA 31 H ALA 31 -1.938 5.340 3.387 233 HA ALA 31 HA ALA 31 -1.893 5.924 6.117 234 1HB ALA 31 1HB ALA 31 -2.089 3.446 4.508 235 2HB ALA 31 3HB ALA 31 -1.683 3.279 6.217 236 3HB ALA 31 2HB ALA 31 -3.176 4.091 5.739 237 H THR 32 H THR 32 -0.582 3.885 7.381 238 HA THR 32 HA THR 32 2.260 4.317 6.766 239 HB THR 32 HB THR 32 2.763 5.199 8.767 240 HG1 THR 32 HG1 THR 32 2.524 3.722 10.270 241 1HG2 THR 32 3HG2 THR 32 0.375 6.182 7.955 242 2HG2 THR 32 2HG2 THR 32 -0.033 5.637 9.582 243 3HG2 THR 32 1HG2 THR 32 1.274 6.798 9.343 244 1HB TYR 33 2HB TYR 33 5.315 1.168 7.872 245 2HB TYR 33 1HB TYR 33 4.957 0.865 9.566 246 H TYR 33 H TYR 33 3.685 2.761 7.953 247 HA TYR 33 HA TYR 33 3.004 0.126 7.399 248 HD1 TYR 33 HD1 TYR 33 5.470 -0.772 6.288 249 HD2 TYR 33 HD2 TYR 33 5.173 -1.300 10.500 250 HE1 TYR 33 HE1 TYR 33 6.293 -3.076 6.051 251 HE2 TYR 33 HE2 TYR 33 5.995 -3.606 10.274 252 HH TYR 33 HH TYR 33 6.788 -4.973 7.091 253 1HB LYS 34 2HB LYS 34 2.566 2.484 12.424 254 2HB LYS 34 1HB LYS 34 1.023 2.042 13.137 255 1HG LYS 34 2HG LYS 34 2.697 0.105 14.109 256 2HG LYS 34 1HG LYS 34 3.733 1.532 14.070 257 1HD LYS 34 2HD LYS 34 2.363 2.720 15.532 258 2HD LYS 34 1HD LYS 34 0.973 1.678 15.225 259 1HE LYS 34 2HE LYS 34 3.454 0.590 16.502 260 2HE LYS 34 1HE LYS 34 2.244 1.442 17.462 261 H LYS 34 H LYS 34 3.085 1.760 10.554 262 HA LYS 34 HA LYS 34 2.210 -0.340 12.137 263 1HZ LYS 34 2HZ LYS 34 0.993 -0.470 15.801 264 2HZ LYS 34 1HZ LYS 34 2.217 -1.218 16.697 265 3HZ LYS 34 3HZ LYS 34 0.988 -0.365 17.488 266 1HB GLN 35 2HB GLN 35 -1.453 2.623 8.727 267 2HB GLN 35 1HB GLN 35 -3.091 2.481 9.339 268 1HG GLN 35 2HG GLN 35 -2.458 3.786 11.315 269 2HG GLN 35 1HG GLN 35 -0.828 3.953 10.664 270 1HE2 GLN 35 1HE2 GLN 35 -2.778 6.003 11.330 271 2HE2 GLN 35 2HE2 GLN 35 -3.044 6.907 9.882 272 H GLN 35 H GLN 35 0.281 2.136 10.464 273 HA GLN 35 HA GLN 35 -2.235 1.258 11.310 274 1HB LEU 36 2HB LEU 36 0.683 -0.734 7.041 275 2HB LEU 36 1HB LEU 36 0.637 -2.479 7.185 276 H LEU 36 H LEU 36 -0.150 0.216 8.682 277 HA LEU 36 HA LEU 36 -2.034 -1.401 7.332 278 HG LEU 36 HG LEU 36 0.513 -1.403 4.833 279 1HD1 LEU 36 2HD1 LEU 36 -1.080 -3.657 5.935 280 2HD1 LEU 36 1HD1 LEU 36 -1.348 -3.178 4.259 281 3HD1 LEU 36 3HD1 LEU 36 0.261 -3.671 4.788 282 1HD2 LEU 36 2HD2 LEU 36 -1.569 -0.032 5.865 283 2HD2 LEU 36 1HD2 LEU 36 -1.363 -0.368 4.147 284 3HD2 LEU 36 3HD2 LEU 36 -2.415 -1.392 5.125 285 1HB GLU 37 2HB GLU 37 1.425 -3.315 11.599 286 2HB GLU 37 1HB GLU 37 0.088 -2.662 12.530 287 1HG GLU 37 2HG GLU 37 0.868 -4.290 13.935 288 2HG GLU 37 1HG GLU 37 -0.405 -5.151 13.069 289 H GLU 37 H GLU 37 0.012 -1.896 10.111 290 HA GLU 37 HA GLU 37 -0.171 -4.699 10.311 291 H ALA 38 H ALA 38 -1.951 -2.173 12.049 292 HA ALA 38 HA ALA 38 -3.783 -3.762 13.380 293 1HB ALA 38 1HB ALA 38 -3.480 -1.318 13.716 294 2HB ALA 38 2HB ALA 38 -5.170 -1.802 13.578 295 3HB ALA 38 3HB ALA 38 -4.356 -1.040 12.212 296 H ALA 39 H ALA 39 -3.677 -2.754 10.058 297 HA ALA 39 HA ALA 39 -6.347 -3.493 9.372 298 1HB ALA 39 2HB ALA 39 -3.949 -3.241 7.559 299 2HB ALA 39 3HB ALA 39 -4.977 -1.897 8.058 300 3HB ALA 39 1HB ALA 39 -5.646 -3.204 7.081 301 1HB ARG 40 2HB ARG 40 -1.668 -6.739 8.563 302 2HB ARG 40 1HB ARG 40 -1.896 -7.175 10.252 303 1HG ARG 40 2HG ARG 40 -2.401 -9.502 9.502 304 2HG ARG 40 1HG ARG 40 -1.942 -9.013 7.870 305 1HD ARG 40 2HD ARG 40 0.287 -8.456 8.627 306 2HD ARG 40 1HD ARG 40 -0.158 -8.823 10.292 307 1HH1 ARG 40 2HH1 ARG 40 1.575 -9.428 10.748 308 2HH1 ARG 40 1HH1 ARG 40 2.546 -10.833 11.035 309 1HH2 ARG 40 2HH2 ARG 40 0.805 -12.856 8.778 310 2HH2 ARG 40 1HH2 ARG 40 2.109 -12.781 9.917 311 H ARG 40 H ARG 40 -3.288 -5.123 9.594 312 HA ARG 40 HA ARG 40 -4.023 -7.456 8.121 313 HE ARG 40 HE ARG 40 -0.470 -11.000 8.407 314 1HB LYS 41 2HB LYS 41 -6.086 -6.234 13.342 315 2HB LYS 41 1HB LYS 41 -5.865 -7.575 14.457 316 1HG LYS 41 2HG LYS 41 -3.353 -7.225 14.065 317 2HG LYS 41 1HG LYS 41 -3.824 -5.663 13.390 318 1HD LYS 41 2HD LYS 41 -4.116 -4.798 15.420 319 2HD LYS 41 1HD LYS 41 -5.158 -6.139 15.901 320 1HE LYS 41 2HE LYS 41 -2.145 -6.070 15.994 321 2HE LYS 41 1HE LYS 41 -3.243 -6.019 17.373 322 H LYS 41 H LYS 41 -4.219 -6.465 11.476 323 HA LYS 41 HA LYS 41 -4.709 -8.856 12.746 324 1HZ LYS 41 2HZ LYS 41 -4.057 -8.246 16.622 325 2HZ LYS 41 1HZ LYS 41 -2.772 -8.287 15.525 326 3HZ LYS 41 3HZ LYS 41 -2.463 -8.225 17.187 327 1HG1 ILE 42 2HG1 ILE 42 -8.805 -5.283 8.886 328 2HG1 ILE 42 1HG1 ILE 42 -8.075 -6.853 8.565 329 H ILE 42 H ILE 42 -6.891 -6.911 10.797 330 HA ILE 42 HA ILE 42 -9.176 -8.576 11.436 331 HB ILE 42 HB ILE 42 -10.491 -7.115 10.156 332 1HG2 ILE 42 1HG2 ILE 42 -9.601 -6.115 12.216 333 2HG2 ILE 42 3HG2 ILE 42 -8.275 -5.415 11.291 334 3HG2 ILE 42 2HG2 ILE 42 -9.933 -4.904 10.979 335 1HD1 ILE 42 3HD1 ILE 42 -10.954 -6.845 8.175 336 2HD1 ILE 42 2HD1 ILE 42 -10.105 -5.699 7.138 337 3HD1 ILE 42 1HD1 ILE 42 -9.662 -7.406 7.113 338 1HA GLY 43 1HA GLY 43 -8.096 -10.469 7.471 339 2HA GLY 43 2HA GLY 43 -6.359 -10.413 7.737 340 H GLY 43 H GLY 43 -6.760 -8.286 8.950 341 1HB PHE 44 2HB PHE 44 -6.161 -5.479 6.417 342 2HB PHE 44 1HB PHE 44 -4.525 -5.768 5.837 343 H PHE 44 H PHE 44 -5.768 -7.799 7.164 344 HA PHE 44 HA PHE 44 -6.874 -7.146 4.563 345 HD1 PHE 44 HD1 PHE 44 -7.275 -5.863 3.467 346 HD2 PHE 44 HD2 PHE 44 -4.317 -3.399 5.276 347 HE1 PHE 44 HE1 PHE 44 -7.612 -4.175 1.708 348 HE2 PHE 44 HE2 PHE 44 -4.648 -1.705 3.523 349 HZ PHE 44 HZ PHE 44 -6.298 -2.093 1.735 350 1HB HIS 45 2HB HIS 45 -4.096 -11.354 3.390 351 2HB HIS 45 1HB HIS 45 -5.636 -11.069 2.589 352 H HIS 45 H HIS 45 -6.202 -8.947 3.336 353 HA HIS 45 HA HIS 45 -3.307 -9.228 2.934 354 HD1 HIS 45 HD1 HIS 45 -5.835 -12.546 0.636 355 HD2 HIS 45 HD2 HIS 45 -1.939 -11.196 1.135 356 HE1 HIS 45 HE1 HIS 45 -4.525 -13.546 -1.261 357 HE2 HIS 45 HE2 HIS 45 -2.157 -12.776 -0.895 358 H VAL 46 H VAL 46 -2.531 -8.053 1.325 359 HA VAL 46 HA VAL 46 -3.860 -8.148 -1.277 360 HB VAL 46 HB VAL 46 -2.830 -5.512 -0.255 361 1HG1 VAL 46 1HG1 VAL 46 -3.072 -5.805 -2.678 362 2HG1 VAL 46 3HG1 VAL 46 -4.770 -6.226 -2.452 363 3HG1 VAL 46 2HG1 VAL 46 -4.201 -4.606 -2.050 364 1HG2 VAL 46 1HG2 VAL 46 -4.724 -6.473 1.170 365 2HG2 VAL 46 3HG2 VAL 46 -4.949 -4.857 0.498 366 3HG2 VAL 46 2HG2 VAL 46 -5.741 -6.243 -0.252 367 1HB CYS 47 2HB CYS 47 -0.269 -9.304 -4.911 368 2HB CYS 47 1HB CYS 47 0.543 -10.313 -3.718 369 H CYS 47 H CYS 47 -2.406 -8.743 -2.745 370 HA CYS 47 HA CYS 47 0.399 -8.732 -2.133 371 H ALA 48 H ALA 48 -1.559 -6.319 -3.114 372 HA ALA 48 HA ALA 48 0.321 -5.144 -5.019 373 1HB ALA 48 3HB ALA 48 -2.358 -5.143 -5.069 374 2HB ALA 48 1HB ALA 48 -1.378 -3.870 -5.798 375 3HB ALA 48 2HB ALA 48 -2.083 -3.635 -4.198 376 H ALA 49 H ALA 49 2.052 -4.512 -3.801 377 HA ALA 49 HA ALA 49 2.125 -3.430 -1.290 378 1HB ALA 49 2HB ALA 49 4.277 -3.528 -1.812 379 2HB ALA 49 1HB ALA 49 3.903 -3.581 -3.535 380 3HB ALA 49 3HB ALA 49 4.082 -2.028 -2.719 381 1HA GLY 50 2HA GLY 50 -0.252 0.180 -0.553 382 2HA GLY 50 1HA GLY 50 0.364 0.501 -2.167 383 H GLY 50 H GLY 50 1.190 -1.705 -0.416 384 1HB TRP 51 2HB TRP 51 1.844 4.731 -2.253 385 2HB TRP 51 1HB TRP 51 3.324 5.313 -1.495 386 H TRP 51 H TRP 51 1.335 2.419 -2.163 387 HA TRP 51 HA TRP 51 3.696 2.906 -0.724 388 HD1 TRP 51 HD1 TRP 51 2.062 3.405 -4.504 389 HE1 TRP 51 HE1 TRP 51 4.038 2.894 -6.077 390 HE3 TRP 51 HE3 TRP 51 5.923 4.830 -1.461 391 HZ2 TRP 51 HZ2 TRP 51 6.851 3.077 -6.037 392 HZ3 TRP 51 HZ3 TRP 51 8.227 4.627 -2.309 393 HH2 TRP 51 HH2 TRP 51 8.677 3.771 -4.550 394 1HB MET 52 2HB MET 52 3.056 4.414 4.623 395 2HB MET 52 1HB MET 52 2.080 3.334 3.638 396 1HG MET 52 2HG MET 52 4.074 2.431 2.602 397 2HG MET 52 1HG MET 52 5.078 3.553 3.517 398 H MET 52 H MET 52 4.159 4.305 0.988 399 HA MET 52 HA MET 52 1.918 5.379 2.523 400 1HE MET 52 3HE MET 52 3.474 0.160 3.330 401 2HE MET 52 2HE MET 52 5.236 0.220 3.372 402 3HE MET 52 1HE MET 52 4.350 -0.587 4.666 403 H ALA 53 H ALA 53 3.231 6.184 4.767 404 HA ALA 53 HA ALA 53 4.437 8.561 4.023 405 1HB ALA 53 2HB ALA 53 5.326 8.580 6.400 406 2HB ALA 53 3HB ALA 53 4.573 6.996 6.585 407 3HB ALA 53 1HB ALA 53 3.581 8.406 6.210 408 1HB LYS 54 2HB LYS 54 8.323 6.988 5.409 409 2HB LYS 54 1HB LYS 54 9.589 6.587 4.260 410 1HG LYS 54 2HG LYS 54 10.868 7.480 5.899 411 2HG LYS 54 1HG LYS 54 10.504 8.958 5.009 412 1HD LYS 54 2HD LYS 54 8.369 8.672 6.757 413 2HD LYS 54 1HD LYS 54 9.777 8.195 7.709 414 1HE LYS 54 2HE LYS 54 10.853 10.269 7.329 415 2HE LYS 54 1HE LYS 54 9.696 10.719 6.075 416 H LYS 54 H LYS 54 6.575 9.307 4.014 417 HA LYS 54 HA LYS 54 8.828 9.246 3.701 418 1HZ LYS 54 2HZ LYS 54 8.772 10.237 8.829 419 2HZ LYS 54 1HZ LYS 54 9.466 11.724 8.420 420 3HZ LYS 54 3HZ LYS 54 8.073 11.190 7.621 421 1HA GLY 55 1HA GLY 55 8.429 6.850 -0.072 422 2HA GLY 55 2HA GLY 55 6.698 6.539 -0.037 423 H GLY 55 H GLY 55 6.712 6.946 2.307 424 1HB ARG 56 2HB ARG 56 8.043 3.333 3.933 425 2HB ARG 56 1HB ARG 56 6.529 2.480 3.676 426 1HG ARG 56 2HG ARG 56 7.711 0.412 3.287 427 2HG ARG 56 1HG ARG 56 9.261 1.246 3.403 428 1HD ARG 56 2HD ARG 56 7.729 1.844 5.728 429 2HD ARG 56 1HD ARG 56 7.723 0.098 5.484 430 1HH1 ARG 56 1HH1 ARG 56 8.046 -0.462 7.193 431 2HH1 ARG 56 2HH1 ARG 56 9.239 -1.017 8.319 432 1HH2 ARG 56 1HH2 ARG 56 11.880 0.718 6.818 433 2HH2 ARG 56 2HH2 ARG 56 11.420 -0.346 8.105 434 H ARG 56 H ARG 56 6.973 4.814 2.354 435 HA ARG 56 HA ARG 56 8.616 2.596 1.517 436 HE ARG 56 HE ARG 56 10.300 1.442 5.343 437 H VAL 57 H VAL 57 7.873 0.552 0.862 438 HA VAL 57 HA VAL 57 5.047 0.399 0.071 439 HB VAL 57 HB VAL 57 5.446 0.139 -2.115 440 1HG1 VAL 57 3HG1 VAL 57 7.986 1.340 -1.112 441 2HG1 VAL 57 2HG1 VAL 57 7.814 0.969 -2.827 442 3HG1 VAL 57 1HG1 VAL 57 6.685 2.077 -2.047 443 1HG2 VAL 57 1HG2 VAL 57 7.654 -1.656 -1.209 444 2HG2 VAL 57 3HG2 VAL 57 6.227 -2.030 -2.175 445 3HG2 VAL 57 2HG2 VAL 57 7.575 -1.152 -2.896 446 1HA GLY 58 2HA GLY 58 4.995 -3.434 2.085 447 2HA GLY 58 1HA GLY 58 5.594 -3.997 0.534 448 H GLY 58 H GLY 58 4.097 -1.565 0.294 449 1HB TYR 59 2HB TYR 59 1.447 -7.366 -1.050 450 2HB TYR 59 1HB TYR 59 1.801 -5.726 -1.587 451 H TYR 59 H TYR 59 4.238 -5.863 0.972 452 HA TYR 59 HA TYR 59 1.369 -5.391 0.665 453 HD1 TYR 59 HD1 TYR 59 4.303 -5.038 -1.659 454 HD2 TYR 59 HD2 TYR 59 2.973 -9.082 -1.468 455 HE1 TYR 59 HE1 TYR 59 6.474 -5.790 -2.530 456 HE2 TYR 59 HE2 TYR 59 5.141 -9.837 -2.344 457 HH TYR 59 HH TYR 59 7.073 -8.458 -3.919 458 1HB PRO 60 2HB PRO 60 -0.757 -8.284 4.785 459 2HB PRO 60 1HB PRO 60 0.572 -7.224 5.257 460 1HG PRO 60 2HG PRO 60 -1.602 -6.768 3.263 461 2HG PRO 60 1HG PRO 60 -0.888 -5.636 4.423 462 1HD PRO 60 1HD PRO 60 -0.243 -5.674 1.777 463 2HD PRO 60 2HD PRO 60 0.879 -5.147 3.045 464 HA PRO 60 HA PRO 60 1.781 -8.572 3.850 465 1HG1 ILE 61 2HG1 ILE 61 2.780 -10.700 0.823 466 2HG1 ILE 61 1HG1 ILE 61 2.738 -11.651 -0.658 467 H ILE 61 H ILE 61 1.868 -10.444 2.666 468 HA ILE 61 HA ILE 61 -0.530 -11.360 1.279 469 HB ILE 61 HB ILE 61 2.026 -12.916 1.385 470 1HG2 ILE 61 2HG2 ILE 61 -0.440 -13.204 0.089 471 2HG2 ILE 61 1HG2 ILE 61 0.712 -12.730 -1.161 472 3HG2 ILE 61 3HG2 ILE 61 1.025 -14.153 -0.165 473 1HD1 ILE 61 2HD1 ILE 61 0.314 -10.097 -0.021 474 2HD1 ILE 61 1HD1 ILE 61 1.753 -9.188 -0.485 475 3HD1 ILE 61 3HD1 ILE 61 1.094 -10.411 -1.571 476 H VAL 62 H VAL 62 -1.956 -12.126 2.742 477 HA VAL 62 HA VAL 62 -1.050 -13.982 4.807 478 HB VAL 62 HB VAL 62 -3.824 -12.878 4.349 479 1HG1 VAL 62 1HG1 VAL 62 -3.170 -15.052 5.794 480 2HG1 VAL 62 3HG1 VAL 62 -2.952 -13.794 7.011 481 3HG1 VAL 62 2HG1 VAL 62 -4.506 -13.975 6.198 482 1HG2 VAL 62 1HG2 VAL 62 -1.623 -11.916 6.171 483 2HG2 VAL 62 3HG2 VAL 62 -2.338 -11.045 4.815 484 3HG2 VAL 62 2HG2 VAL 62 -3.300 -11.377 6.255 485 1HB LYS 63 2HB LYS 63 -5.215 -14.939 1.766 486 2HB LYS 63 1HB LYS 63 -4.825 -15.169 0.068 487 1HG LYS 63 2HG LYS 63 -5.135 -17.679 1.511 488 2HG LYS 63 1HG LYS 63 -6.586 -16.673 1.537 489 1HD LYS 63 2HD LYS 63 -5.556 -16.572 -1.089 490 2HD LYS 63 1HD LYS 63 -5.535 -18.265 -0.593 491 1HE LYS 63 2HE LYS 63 -7.980 -16.733 0.045 492 2HE LYS 63 1HE LYS 63 -7.682 -17.062 -1.661 493 H LYS 63 H LYS 63 -2.754 -13.895 1.787 494 HA LYS 63 HA LYS 63 -3.286 -16.784 2.028 495 1HZ LYS 63 3HZ LYS 63 -7.406 -19.443 -1.011 496 2HZ LYS 63 2HZ LYS 63 -7.969 -19.037 0.531 497 3HZ LYS 63 1HZ LYS 63 -8.973 -18.834 -0.815 498 1HB PRO 64 2HB PRO 64 0.365 -19.213 -1.173 499 2HB PRO 64 1HB PRO 64 1.221 -18.029 -0.183 500 1HG PRO 64 2HG PRO 64 -1.066 -19.805 0.534 501 2HG PRO 64 1HG PRO 64 0.334 -19.324 1.508 502 1HD PRO 64 1HD PRO 64 -2.103 -18.228 1.861 503 2HD PRO 64 2HD PRO 64 -0.609 -17.296 2.090 504 HA PRO 64 HA PRO 64 -0.084 -16.485 -1.227 505 1HA GLY 65 2HA GLY 65 -2.261 -17.484 -4.804 506 2HA GLY 65 1HA GLY 65 -2.005 -19.157 -4.335 507 H GLY 65 H GLY 65 0.065 -17.425 -3.365 508 1HB PRO 66 2HB PRO 66 -1.430 -19.042 -9.792 509 2HB PRO 66 1HB PRO 66 -0.647 -20.594 -9.484 510 1HG PRO 66 2HG PRO 66 -3.222 -20.148 -8.840 511 2HG PRO 66 1HG PRO 66 -2.175 -21.193 -7.862 512 1HD PRO 66 1HD PRO 66 -3.020 -18.364 -7.368 513 2HD PRO 66 2HD PRO 66 -2.868 -19.712 -6.221 514 HA PRO 66 HA PRO 66 0.624 -19.736 -7.803 515 1HB ASN 67 2HB ASN 67 0.137 -13.939 -9.770 516 2HB ASN 67 1HB ASN 67 0.558 -15.522 -10.416 517 1HD2 ASN 67 1HD2 ASN 67 -1.174 -16.171 -11.488 518 2HD2 ASN 67 2HD2 ASN 67 -2.782 -16.232 -10.861 519 H ASN 67 H ASN 67 -0.225 -16.766 -6.968 520 HA ASN 67 HA ASN 67 1.745 -15.451 -8.407 521 1HB CYS 68 2HB CYS 68 -1.323 -13.060 -5.370 522 2HB CYS 68 1HB CYS 68 -1.086 -14.492 -4.374 523 H CYS 68 H CYS 68 1.507 -15.257 -5.891 524 HA CYS 68 HA CYS 68 1.019 -12.543 -5.319 525 1HA GLY 69 2HA GLY 69 1.686 -16.428 -1.680 526 2HA GLY 69 1HA GLY 69 2.073 -14.757 -1.294 527 H GLY 69 H GLY 69 0.686 -15.660 -3.605 528 1HB PHE 70 2HB PHE 70 5.972 -13.223 -1.122 529 2HB PHE 70 1HB PHE 70 7.492 -14.108 -1.041 530 H PHE 70 H PHE 70 4.164 -14.343 -1.132 531 HA PHE 70 HA PHE 70 6.045 -15.388 -3.056 532 HD1 PHE 70 HD1 PHE 70 8.742 -14.481 -3.255 533 HD2 PHE 70 HD2 PHE 70 5.653 -11.600 -2.741 534 HE1 PHE 70 HE1 PHE 70 9.567 -13.252 -5.220 535 HE2 PHE 70 HE2 PHE 70 6.470 -10.366 -4.706 536 HZ PHE 70 HZ PHE 70 8.430 -11.192 -5.949 537 1HA GLY 71 1HA GLY 71 7.113 -18.127 0.412 538 2HA GLY 71 2HA GLY 71 5.682 -19.035 -0.066 539 H GLY 71 H GLY 71 4.655 -16.737 -0.452 540 1HB LYS 72 2HB LYS 72 7.193 -15.476 4.222 541 2HB LYS 72 1HB LYS 72 6.327 -15.896 5.694 542 1HG LYS 72 2HG LYS 72 8.043 -17.872 4.224 543 2HG LYS 72 1HG LYS 72 8.687 -16.784 5.456 544 1HD LYS 72 2HD LYS 72 6.509 -17.812 6.725 545 2HD LYS 72 1HD LYS 72 7.020 -19.183 5.739 546 1HE LYS 72 2HE LYS 72 9.361 -18.758 6.647 547 2HE LYS 72 1HE LYS 72 8.591 -17.698 7.827 548 H LYS 72 H LYS 72 6.714 -16.476 2.183 549 HA LYS 72 HA LYS 72 5.309 -17.821 4.335 550 1HZ LYS 72 2HZ LYS 72 7.478 -20.377 7.538 551 2HZ LYS 72 1HZ LYS 72 8.997 -20.262 8.273 552 3HZ LYS 72 3HZ LYS 72 7.676 -19.430 8.926 553 H THR 73 H THR 73 4.260 -16.173 5.978 554 HA THR 73 HA THR 73 2.367 -14.527 4.431 555 HB THR 73 HB THR 73 0.909 -14.908 6.581 556 HG1 THR 73 HG1 THR 73 1.353 -17.149 7.309 557 1HG2 THR 73 3HG2 THR 73 1.349 -16.968 4.420 558 2HG2 THR 73 2HG2 THR 73 -0.014 -16.992 5.539 559 3HG2 THR 73 1HG2 THR 73 0.184 -15.645 4.420 560 1HA GLY 74 2HA GLY 74 3.952 -11.406 7.068 561 2HA GLY 74 1HA GLY 74 2.241 -10.993 7.082 562 H GLY 74 H GLY 74 2.368 -12.415 4.838 563 1HG1 ILE 75 1HG1 ILE 75 1.864 -5.672 5.381 564 2HG1 ILE 75 2HG1 ILE 75 1.709 -6.584 6.880 565 H ILE 75 H ILE 75 3.288 -8.786 7.039 566 HA ILE 75 HA ILE 75 2.863 -7.573 4.568 567 HB ILE 75 HB ILE 75 4.127 -6.684 7.116 568 1HG2 ILE 75 3HG2 ILE 75 4.473 -5.341 4.462 569 2HG2 ILE 75 2HG2 ILE 75 4.393 -4.392 5.947 570 3HG2 ILE 75 1HG2 ILE 75 5.656 -5.606 5.743 571 1HD1 ILE 75 2HD1 ILE 75 2.938 -4.627 7.972 572 2HD1 ILE 75 1HD1 ILE 75 2.559 -3.745 6.493 573 3HD1 ILE 75 3HD1 ILE 75 1.257 -4.392 7.491 574 1HG1 ILE 76 1HG1 ILE 76 5.043 -10.153 2.540 575 2HG1 ILE 76 2HG1 ILE 76 4.057 -10.061 1.083 576 H ILE 76 H ILE 76 4.000 -7.747 2.769 577 HA ILE 76 HA ILE 76 6.838 -8.423 2.894 578 HB ILE 76 HB ILE 76 5.111 -8.197 0.433 579 1HG2 ILE 76 2HG2 ILE 76 7.628 -8.134 0.234 580 2HG2 ILE 76 1HG2 ILE 76 7.628 -9.794 0.831 581 3HG2 ILE 76 3HG2 ILE 76 6.810 -9.400 -0.682 582 1HD1 ILE 76 3HD1 ILE 76 6.798 -11.284 1.175 583 2HD1 ILE 76 2HD1 ILE 76 5.297 -12.192 1.363 584 3HD1 ILE 76 1HD1 ILE 76 5.635 -11.348 -0.149 585 1HB ASP 77 2HB ASP 77 6.432 -3.171 2.933 586 2HB ASP 77 1HB ASP 77 7.022 -4.078 4.321 587 H ASP 77 H ASP 77 7.637 -6.402 3.575 588 HA ASP 77 HA ASP 77 7.673 -4.375 1.442 589 1HB TYR 78 2HB TYR 78 11.360 -4.867 -0.328 590 2HB TYR 78 1HB TYR 78 12.566 -3.587 -0.246 591 H TYR 78 H TYR 78 9.633 -3.701 0.834 592 HA TYR 78 HA TYR 78 11.941 -4.642 2.390 593 HD1 TYR 78 HD1 TYR 78 14.814 -4.053 0.638 594 HD2 TYR 78 HD2 TYR 78 11.926 -7.145 0.188 595 HE1 TYR 78 HE1 TYR 78 16.593 -5.736 0.849 596 HE2 TYR 78 HE2 TYR 78 13.698 -8.838 0.400 597 HH TYR 78 HH TYR 78 16.122 -8.829 1.568 598 1HA GLY 79 2HA GLY 79 12.302 -0.425 3.565 599 2HA GLY 79 1HA GLY 79 10.611 0.024 3.374 600 H GLY 79 H GLY 79 10.274 -2.161 2.777 601 1HG1 ILE 80 1HG1 ILE 80 11.796 3.669 3.023 602 2HG1 ILE 80 2HG1 ILE 80 12.598 5.232 2.902 603 H ILE 80 H ILE 80 12.145 2.010 2.775 604 HA ILE 80 HA ILE 80 11.617 2.722 0.178 605 HB ILE 80 HB ILE 80 13.997 3.726 1.729 606 1HG2 ILE 80 1HG2 ILE 80 12.282 4.929 -0.433 607 2HG2 ILE 80 3HG2 ILE 80 13.441 5.851 0.526 608 3HG2 ILE 80 2HG2 ILE 80 14.000 4.537 -0.509 609 1HD1 ILE 80 1HD1 ILE 80 11.073 5.832 1.064 610 2HD1 ILE 80 3HD1 ILE 80 10.237 4.296 1.292 611 3HD1 ILE 80 2HD1 ILE 80 10.235 5.501 2.580 612 1HB ARG 81 2HB ARG 81 14.084 -0.647 -3.732 613 2HB ARG 81 1HB ARG 81 12.701 -0.643 -2.648 614 1HG ARG 81 2HG ARG 81 11.674 0.097 -4.520 615 2HG ARG 81 1HG ARG 81 12.218 1.652 -3.891 616 1HD ARG 81 2HD ARG 81 12.967 1.809 -6.047 617 2HD ARG 81 1HD ARG 81 14.377 1.082 -5.277 618 1HH1 ARG 81 1HH1 ARG 81 14.184 1.788 -7.674 619 2HH1 ARG 81 2HH1 ARG 81 14.392 1.009 -9.206 620 1HH2 ARG 81 2HH2 ARG 81 13.178 -2.087 -8.126 621 2HH2 ARG 81 1HH2 ARG 81 13.820 -1.193 -9.464 622 H ARG 81 H ARG 81 12.253 1.694 -1.615 623 HA ARG 81 HA ARG 81 14.818 0.346 -1.707 624 HE ARG 81 HE ARG 81 12.911 -1.052 -6.111 625 1HB LEU 82 2HB LEU 82 17.101 2.915 -3.527 626 2HB LEU 82 1HB LEU 82 17.344 4.452 -4.331 627 H LEU 82 H LEU 82 14.331 3.384 -1.748 628 HA LEU 82 HA LEU 82 15.461 5.182 -2.558 629 HG LEU 82 HG LEU 82 18.974 4.235 -2.586 630 1HD1 LEU 82 2HD1 LEU 82 17.232 6.369 -2.819 631 2HD1 LEU 82 1HD1 LEU 82 17.310 6.070 -1.082 632 3HD1 LEU 82 3HD1 LEU 82 18.790 6.372 -1.994 633 1HD2 LEU 82 3HD2 LEU 82 16.610 3.499 -0.906 634 2HD2 LEU 82 2HD2 LEU 82 18.155 2.666 -1.090 635 3HD2 LEU 82 1HD2 LEU 82 18.066 4.168 -0.170 636 1HB ASN 83 2HB ASN 83 14.036 3.594 -6.698 637 2HB ASN 83 1HB ASN 83 12.307 3.266 -6.756 638 1HD2 ASN 83 2HD2 ASN 83 14.954 4.976 -8.207 639 2HD2 ASN 83 1HD2 ASN 83 14.133 5.431 -9.657 640 H ASN 83 H ASN 83 13.074 4.604 -3.720 641 HA ASN 83 HA ASN 83 13.183 6.046 -6.124 642 1HB ARG 84 2HB ARG 84 8.374 7.912 -3.439 643 2HB ARG 84 1HB ARG 84 10.085 7.822 -3.046 644 1HG ARG 84 2HG ARG 84 9.256 9.087 -5.611 645 2HG ARG 84 1HG ARG 84 9.063 9.981 -4.102 646 1HD ARG 84 2HD ARG 84 11.267 10.327 -3.889 647 2HD ARG 84 1HD ARG 84 11.666 8.681 -4.379 648 1HH1 ARG 84 1HH1 ARG 84 13.424 8.883 -4.818 649 2HH1 ARG 84 2HH1 ARG 84 14.568 9.120 -6.097 650 1HH2 ARG 84 1HH2 ARG 84 12.340 10.844 -8.164 651 2HH2 ARG 84 2HH2 ARG 84 13.952 10.235 -7.997 652 H ARG 84 H ARG 84 11.557 7.128 -4.949 653 HA ARG 84 HA ARG 84 9.136 5.787 -4.192 654 HE ARG 84 HE ARG 84 10.839 10.528 -6.474 655 1HB SER 85 2HB SER 85 10.370 6.973 -9.367 656 2HB SER 85 1HB SER 85 8.931 7.199 -10.362 657 H SER 85 H SER 85 10.093 5.875 -7.076 658 HA SER 85 HA SER 85 7.572 6.867 -8.235 659 HG SER 85 HG SER 85 9.087 9.198 -9.744 660 1HB GLU 86 2HB GLU 86 7.767 1.929 -6.631 661 2HB GLU 86 1HB GLU 86 8.051 0.663 -7.818 662 1HG GLU 86 2HG GLU 86 10.366 2.303 -7.690 663 2HG GLU 86 1HG GLU 86 9.893 1.870 -6.048 664 H GLU 86 H GLU 86 8.353 4.186 -7.205 665 HA GLU 86 HA GLU 86 8.757 2.463 -9.436 666 1HB ARG 87 2HB ARG 87 5.444 -0.863 -11.122 667 2HB ARG 87 1HB ARG 87 4.096 0.072 -11.751 668 1HG ARG 87 2HG ARG 87 5.486 1.615 -12.790 669 2HG ARG 87 1HG ARG 87 6.876 1.175 -11.797 670 1HD ARG 87 2HD ARG 87 5.926 -1.109 -13.263 671 2HD ARG 87 1HD ARG 87 6.240 0.235 -14.359 672 1HH1 ARG 87 1HH1 ARG 87 6.626 -2.613 -13.278 673 2HH1 ARG 87 2HH1 ARG 87 8.008 -3.650 -13.165 674 1HH2 ARG 87 2HH2 ARG 87 10.331 -1.037 -13.159 675 2HH2 ARG 87 1HH2 ARG 87 10.115 -2.754 -13.097 676 H ARG 87 H ARG 87 6.965 0.490 -9.372 677 HA ARG 87 HA ARG 87 4.445 1.809 -10.135 678 HE ARG 87 HE ARG 87 8.503 0.320 -13.309 679 1HB TRP 88 2HB TRP 88 3.951 1.257 -5.401 680 2HB TRP 88 1HB TRP 88 3.023 -0.066 -4.711 681 H TRP 88 H TRP 88 3.922 1.644 -7.815 682 HA TRP 88 HA TRP 88 3.009 -1.060 -7.079 683 HD1 TRP 88 HD1 TRP 88 6.410 0.953 -4.879 684 HE1 TRP 88 HE1 TRP 88 8.053 -1.023 -4.738 685 HE3 TRP 88 HE3 TRP 88 3.172 -2.854 -5.929 686 HZ2 TRP 88 HZ2 TRP 88 7.972 -3.838 -5.021 687 HZ3 TRP 88 HZ3 TRP 88 4.032 -5.158 -5.975 688 HH2 TRP 88 HH2 TRP 88 6.384 -5.638 -5.534 689 1HB ASP 89 2HB ASP 89 -0.648 -1.144 -4.390 690 2HB ASP 89 1HB ASP 89 -2.044 -0.075 -4.255 691 H ASP 89 H ASP 89 1.447 -0.125 -4.881 692 HA ASP 89 HA ASP 89 -0.805 1.114 -6.319 693 H ALA 90 H ALA 90 -2.188 1.192 -3.613 694 HA ALA 90 HA ALA 90 -0.642 3.071 -2.078 695 1HB ALA 90 2HB ALA 90 -1.254 4.724 -3.559 696 2HB ALA 90 3HB ALA 90 -2.535 4.831 -2.351 697 3HB ALA 90 1HB ALA 90 -2.831 4.002 -3.879 698 1HB TYR 91 2HB TYR 91 -0.960 1.593 1.942 699 2HB TYR 91 1HB TYR 91 -2.366 1.349 2.972 700 H TYR 91 H TYR 91 -1.095 2.622 -0.045 701 HA TYR 91 HA TYR 91 -3.630 1.356 0.633 702 HD1 TYR 91 HD1 TYR 91 -4.030 -0.494 1.546 703 HD2 TYR 91 HD2 TYR 91 0.215 -0.389 1.795 704 HE1 TYR 91 HE1 TYR 91 -3.951 -2.909 1.096 705 HE2 TYR 91 HE2 TYR 91 0.307 -2.803 1.342 706 HH TYR 91 HH TYR 91 -1.589 -4.501 0.007 707 1HB CYS 92 2HB CYS 92 -7.076 4.473 0.770 708 2HB CYS 92 1HB CYS 92 -6.829 6.175 1.124 709 H CYS 92 H CYS 92 -4.805 3.379 0.216 710 HA CYS 92 HA CYS 92 -4.464 5.757 1.580 711 1HB TYR 93 2HB TYR 93 -4.635 4.734 5.744 712 2HB TYR 93 1HB TYR 93 -4.670 6.470 6.044 713 H TYR 93 H TYR 93 -5.948 6.653 3.268 714 HA TYR 93 HA TYR 93 -7.069 4.837 5.185 715 HD1 TYR 93 HD1 TYR 93 -6.948 7.021 7.619 716 HD2 TYR 93 HD2 TYR 93 -4.512 3.532 7.703 717 HE1 TYR 93 HE1 TYR 93 -7.639 6.607 9.939 718 HE2 TYR 93 HE2 TYR 93 -5.199 3.103 10.023 719 HH TYR 93 HH TYR 93 -6.208 4.988 12.022 720 1HB ASN 94 2HB ASN 94 -9.583 7.929 4.441 721 2HB ASN 94 1HB ASN 94 -10.918 8.494 5.441 722 1HD2 ASN 94 2HD2 ASN 94 -11.159 10.413 4.384 723 2HD2 ASN 94 1HD2 ASN 94 -9.999 11.692 4.463 724 H ASN 94 H ASN 94 -8.600 5.817 6.377 725 HA ASN 94 HA ASN 94 -8.598 8.557 7.060 726 1HB PRO 95 2HB PRO 95 -11.885 8.705 11.441 727 2HB PRO 95 1HB PRO 95 -10.404 7.741 11.403 728 1HG PRO 95 2HG PRO 95 -10.921 10.465 10.338 729 2HG PRO 95 1HG PRO 95 -9.433 9.784 11.012 730 1HD PRO 95 1HD PRO 95 -10.036 10.097 8.290 731 2HD PRO 95 2HD PRO 95 -8.724 9.119 8.965 732 HA PRO 95 HA PRO 95 -11.569 6.649 9.733 733 1HB HIS 96 2HB HIS 96 -13.006 11.397 7.498 734 2HB HIS 96 1HB HIS 96 -14.533 11.464 6.624 735 H HIS 96 H HIS 96 -12.039 9.197 7.611 736 HA HIS 96 HA HIS 96 -14.934 9.267 8.173 737 HD1 HIS 96 HD1 HIS 96 -16.576 10.791 8.681 738 HD2 HIS 96 HD2 HIS 96 -13.258 13.137 9.546 739 HE1 HIS 96 HE1 HIS 96 -17.210 12.128 10.715 740 HE2 HIS 96 HE2 HIS 96 -15.162 13.490 11.260 741 H ALA 97 H ALA 97 -12.724 7.933 6.194 742 HA ALA 97 HA ALA 97 -14.021 8.368 3.652 743 1HB ALA 97 3HB ALA 97 -11.794 6.513 4.482 744 2HB ALA 97 1HB ALA 97 -11.643 8.054 3.636 745 3HB ALA 97 2HB ALA 97 -12.389 6.674 2.830 746 1HB LYS 98 2HB LYS 98 -17.590 6.827 6.512 747 2HB LYS 98 1HB LYS 98 -18.703 5.616 5.887 748 1HG LYS 98 2HG LYS 98 -18.285 4.797 7.983 749 2HG LYS 98 1HG LYS 98 -17.069 3.936 7.037 750 1HD LYS 98 2HD LYS 98 -15.396 5.613 7.674 751 2HD LYS 98 1HD LYS 98 -16.613 6.455 8.634 752 1HE LYS 98 2HE LYS 98 -16.408 5.029 10.342 753 2HE LYS 98 1HE LYS 98 -16.423 3.623 9.277 754 H LYS 98 H LYS 98 -15.938 7.481 5.337 755 HA LYS 98 HA LYS 98 -16.238 4.618 5.153 756 1HZ LYS 98 3HZ LYS 98 -13.991 4.955 8.926 757 2HZ LYS 98 2HZ LYS 98 -14.238 4.782 10.590 758 3HZ LYS 98 1HZ LYS 98 -14.255 3.421 9.587 No H/Q in entry = 758 Start of MODEL 6 1 1HA GLY 1 2HA GLY 1 -9.530 1.963 8.741 2 2HA GLY 1 1HA GLY 1 -10.368 3.447 8.312 3 H1 GLY 1 1H GLY 1 -11.174 1.044 6.881 4 H2 GLY 1 3H GLY 1 -11.589 1.119 8.519 5 H3 GLY 1 2H GLY 1 -12.112 2.329 7.457 6 H VAL 2 H VAL 2 -7.872 1.334 7.507 7 HA VAL 2 HA VAL 2 -7.190 2.953 5.200 8 HB VAL 2 HB VAL 2 -5.337 2.586 6.573 9 1HG1 VAL 2 2HG1 VAL 2 -6.581 -0.002 7.044 10 2HG1 VAL 2 1HG1 VAL 2 -4.828 -0.095 6.868 11 3HG1 VAL 2 3HG1 VAL 2 -5.537 0.964 8.089 12 1HG2 VAL 2 1HG2 VAL 2 -5.358 0.931 4.115 13 2HG2 VAL 2 3HG2 VAL 2 -4.373 2.335 4.536 14 3HG2 VAL 2 2HG2 VAL 2 -3.989 0.751 5.213 15 1HB TYR 3 2HB TYR 3 -9.381 0.525 0.599 16 2HB TYR 3 1HB TYR 3 -10.061 0.653 2.216 17 H TYR 3 H TYR 3 -7.374 2.367 3.133 18 HA TYR 3 HA TYR 3 -8.007 -0.442 2.535 19 HD1 TYR 3 HD1 TYR 3 -8.813 2.990 3.362 20 HD2 TYR 3 HD2 TYR 3 -10.078 2.330 -0.645 21 HE1 TYR 3 HE1 TYR 3 -9.099 5.415 3.060 22 HE2 TYR 3 HE2 TYR 3 -10.365 4.752 -0.959 23 HH TYR 3 HH TYR 3 -10.713 6.872 1.294 24 1HB HIS 4 2HB HIS 4 -4.393 -1.796 -0.719 25 2HB HIS 4 1HB HIS 4 -6.005 -2.451 -0.458 26 H HIS 4 H HIS 4 -7.688 -0.929 0.144 27 HA HIS 4 HA HIS 4 -5.162 0.309 -0.726 28 HD1 HIS 4 HD1 HIS 4 -7.278 -3.320 -2.506 29 HD2 HIS 4 HD2 HIS 4 -3.553 -1.715 -3.411 30 HE1 HIS 4 HE1 HIS 4 -6.815 -3.995 -4.883 31 HE2 HIS 4 HE2 HIS 4 -4.573 -2.978 -5.424 32 1HB ARG 5 2HB ARG 5 -6.303 3.351 -3.704 33 2HB ARG 5 1HB ARG 5 -7.238 3.076 -5.166 34 1HG ARG 5 2HG ARG 5 -8.165 1.951 -2.558 35 2HG ARG 5 1HG ARG 5 -8.453 3.646 -2.956 36 1HD ARG 5 2HD ARG 5 -9.296 2.550 -5.231 37 2HD ARG 5 1HD ARG 5 -9.595 1.185 -4.156 38 1HH1 ARG 5 1HH1 ARG 5 -10.682 0.481 -3.045 39 2HH1 ARG 5 2HH1 ARG 5 -12.216 0.495 -2.238 40 1HH2 ARG 5 2HH2 ARG 5 -12.860 3.867 -2.899 41 2HH2 ARG 5 1HH2 ARG 5 -13.454 2.420 -2.157 42 H ARG 5 H ARG 5 -4.965 1.102 -2.761 43 HA ARG 5 HA ARG 5 -7.085 0.612 -4.705 44 HE ARG 5 HE ARG 5 -10.841 3.839 -3.959 45 1HB GLU 6 2HB GLU 6 -3.866 0.105 -9.239 46 2HB GLU 6 1HB GLU 6 -5.019 -0.626 -8.132 47 1HG GLU 6 2HG GLU 6 -6.215 1.526 -9.646 48 2HG GLU 6 1HG GLU 6 -5.524 0.287 -10.693 49 H GLU 6 H GLU 6 -6.521 1.266 -6.871 50 HA GLU 6 HA GLU 6 -3.608 1.351 -7.280 51 H ALA 7 H ALA 7 -3.537 2.040 -9.925 52 HA ALA 7 HA ALA 7 -4.094 4.881 -9.767 53 1HB ALA 7 2HB ALA 7 -2.478 5.161 -11.329 54 2HB ALA 7 1HB ALA 7 -1.999 3.555 -10.778 55 3HB ALA 7 3HB ALA 7 -2.961 3.733 -12.245 56 1HB ARG 8 2HB ARG 8 -7.819 7.020 -13.659 57 2HB ARG 8 1HB ARG 8 -7.616 7.234 -11.926 58 1HG ARG 8 2HG ARG 8 -5.454 8.018 -12.140 59 2HG ARG 8 1HG ARG 8 -5.232 7.273 -13.723 60 1HD ARG 8 2HD ARG 8 -7.378 9.276 -13.575 61 2HD ARG 8 1HD ARG 8 -5.750 9.904 -13.321 62 1HH1 ARG 8 1HH1 ARG 8 -4.223 10.297 -14.053 63 2HH1 ARG 8 2HH1 ARG 8 -3.319 10.655 -15.487 64 1HH2 ARG 8 1HH2 ARG 8 -5.573 9.082 -17.648 65 2HH2 ARG 8 2HH2 ARG 8 -4.087 9.965 -17.531 66 H ARG 8 H ARG 8 -5.107 6.042 -11.557 67 HA ARG 8 HA ARG 8 -7.618 4.904 -12.246 68 HE ARG 8 HE ARG 8 -6.753 8.615 -15.754 69 1HB SER 9 2HB SER 9 -2.882 4.184 -16.623 70 2HB SER 9 1HB SER 9 -3.807 5.630 -17.032 71 H SER 9 H SER 9 -4.550 5.177 -13.864 72 HA SER 9 HA SER 9 -5.635 4.453 -16.451 73 HG SER 9 HG SER 9 -2.668 6.515 -15.505 74 1HA GLY 10 2HA GLY 10 -3.726 0.438 -15.025 75 2HA GLY 10 1HA GLY 10 -5.287 0.332 -14.225 76 H GLY 10 H GLY 10 -4.598 2.850 -13.654 77 1HB LYS 11 2HB LYS 11 -4.713 -2.338 -10.788 78 2HB LYS 11 1HB LYS 11 -3.344 -3.263 -11.393 79 1HG LYS 11 2HG LYS 11 -2.183 -3.004 -9.299 80 2HG LYS 11 1HG LYS 11 -3.456 -1.945 -8.688 81 1HD LYS 11 2HD LYS 11 -4.469 -3.750 -7.873 82 2HD LYS 11 1HD LYS 11 -4.763 -4.266 -9.535 83 1HE LYS 11 2HE LYS 11 -2.328 -4.927 -7.882 84 2HE LYS 11 1HE LYS 11 -3.666 -6.021 -8.232 85 H LYS 11 H LYS 11 -4.063 -1.413 -13.077 86 HA LYS 11 HA LYS 11 -3.147 -0.373 -10.540 87 1HZ LYS 11 3HZ LYS 11 -2.677 -4.958 -10.643 88 2HZ LYS 11 2HZ LYS 11 -1.383 -5.588 -9.754 89 3HZ LYS 11 1HZ LYS 11 -2.705 -6.571 -10.132 90 1HB TYR 12 2HB TYR 12 0.263 -3.186 -11.474 91 2HB TYR 12 1HB TYR 12 1.973 -2.771 -11.447 92 H TYR 12 H TYR 12 -1.161 -0.960 -9.531 93 HA TYR 12 HA TYR 12 1.098 -1.201 -9.436 94 HD1 TYR 12 HD1 TYR 12 0.738 -2.345 -8.201 95 HD2 TYR 12 HD2 TYR 12 1.869 -5.383 -10.957 96 HE1 TYR 12 HE1 TYR 12 1.090 -3.902 -6.331 97 HE2 TYR 12 HE2 TYR 12 2.221 -6.949 -9.095 98 HH TYR 12 HH TYR 12 1.511 -7.253 -6.785 99 1HB LYS 13 2HB LYS 13 1.695 2.748 -13.809 100 2HB LYS 13 1HB LYS 13 1.267 1.049 -13.656 101 1HG LYS 13 2HG LYS 13 -0.848 1.517 -12.851 102 2HG LYS 13 1HG LYS 13 -0.399 3.140 -12.325 103 1HD LYS 13 2HD LYS 13 -1.686 3.530 -14.224 104 2HD LYS 13 1HD LYS 13 -0.030 3.615 -14.830 105 1HE LYS 13 2HE LYS 13 -0.760 0.921 -15.007 106 2HE LYS 13 1HE LYS 13 -2.163 1.828 -15.571 107 H LYS 13 H LYS 13 0.905 1.144 -10.148 108 HA LYS 13 HA LYS 13 2.940 1.733 -11.983 109 1HZ LYS 13 2HZ LYS 13 0.590 2.292 -16.572 110 2HZ LYS 13 1HZ LYS 13 -0.511 1.249 -17.323 111 3HZ LYS 13 3HZ LYS 13 -0.853 2.903 -17.209 112 1HB LEU 14 2HB LEU 14 0.663 3.377 -7.454 113 2HB LEU 14 1HB LEU 14 0.643 5.105 -7.190 114 H LEU 14 H LEU 14 1.600 2.432 -9.354 115 HA LEU 14 HA LEU 14 1.196 5.307 -9.693 116 HG LEU 14 HG LEU 14 -1.078 3.846 -9.302 117 1HD1 LEU 14 1HD1 LEU 14 -1.270 3.431 -6.479 118 2HD1 LEU 14 3HD1 LEU 14 -2.636 4.404 -7.027 119 3HD1 LEU 14 2HD1 LEU 14 -2.318 2.835 -7.768 120 1HD2 LEU 14 2HD2 LEU 14 -1.086 6.434 -7.777 121 2HD2 LEU 14 1HD2 LEU 14 -0.960 6.188 -9.519 122 3HD2 LEU 14 3HD2 LEU 14 -2.483 5.864 -8.691 123 H THR 15 H THR 15 2.397 6.843 -8.561 124 HA THR 15 HA THR 15 5.041 5.906 -7.686 125 HB THR 15 HB THR 15 5.826 8.187 -8.027 126 HG1 THR 15 HG1 THR 15 3.726 9.165 -7.505 127 1HG2 THR 15 2HG2 THR 15 5.319 6.446 -9.984 128 2HG2 THR 15 1HG2 THR 15 4.266 7.757 -10.515 129 3HG2 THR 15 3HG2 THR 15 5.992 8.046 -10.296 130 1HB TYR 16 2HB TYR 16 6.820 8.011 -3.777 131 2HB TYR 16 1HB TYR 16 6.584 9.648 -4.379 132 H TYR 16 H TYR 16 5.707 8.281 -6.247 133 HA TYR 16 HA TYR 16 4.398 7.652 -3.746 134 HD1 TYR 16 HD1 TYR 16 5.435 7.514 -1.530 135 HD2 TYR 16 HD2 TYR 16 6.713 11.356 -2.837 136 HE1 TYR 16 HE1 TYR 16 5.306 8.335 0.781 137 HE2 TYR 16 HE2 TYR 16 6.590 12.189 -0.525 138 HH TYR 16 HH TYR 16 6.423 11.555 1.655 139 H ALA 17 H ALA 17 4.883 10.570 -5.720 140 HA ALA 17 HA ALA 17 3.116 12.184 -4.178 141 1HB ALA 17 1HB ALA 17 4.962 13.065 -5.589 142 2HB ALA 17 3HB ALA 17 4.026 12.620 -7.017 143 3HB ALA 17 2HB ALA 17 3.405 13.837 -5.899 144 1HB GLU 18 2HB GLU 18 1.769 8.516 -8.292 145 2HB GLU 18 1HB GLU 18 0.108 8.670 -8.847 146 1HG GLU 18 2HG GLU 18 0.626 10.480 -10.245 147 2HG GLU 18 1HG GLU 18 2.187 10.739 -9.465 148 H GLU 18 H GLU 18 2.744 10.057 -6.910 149 HA GLU 18 HA GLU 18 0.167 10.994 -7.708 150 H ALA 19 H ALA 19 1.280 8.124 -5.936 151 HA ALA 19 HA ALA 19 -1.159 6.991 -5.321 152 1HB ALA 19 2HB ALA 19 0.344 5.553 -4.517 153 2HB ALA 19 3HB ALA 19 0.379 6.551 -3.061 154 3HB ALA 19 1HB ALA 19 1.563 6.818 -4.343 155 1HB LYS 20 2HB LYS 20 1.230 10.679 -1.628 156 2HB LYS 20 1HB LYS 20 0.496 11.985 -2.548 157 1HG LYS 20 2HG LYS 20 -1.055 12.098 -0.389 158 2HG LYS 20 1HG LYS 20 0.393 11.412 0.351 159 1HD LYS 20 2HD LYS 20 1.451 13.398 -1.183 160 2HD LYS 20 1HD LYS 20 -0.093 14.105 -0.704 161 1HE LYS 20 2HE LYS 20 0.629 14.468 1.368 162 2HE LYS 20 1HE LYS 20 1.185 12.804 1.529 163 H LYS 20 H LYS 20 0.629 9.473 -3.539 164 HA LYS 20 HA LYS 20 -1.118 9.726 -1.381 165 1HZ LYS 20 1HZ LYS 20 2.737 14.873 0.086 166 2HZ LYS 20 3HZ LYS 20 2.932 14.574 1.741 167 3HZ LYS 20 2HZ LYS 20 3.267 13.356 0.616 168 H ALA 21 H ALA 21 -1.045 11.366 -4.514 169 HA ALA 21 HA ALA 21 -3.117 13.203 -3.993 170 1HB ALA 21 2HB ALA 21 -2.396 13.950 -5.955 171 2HB ALA 21 1HB ALA 21 -1.484 12.463 -6.216 172 3HB ALA 21 3HB ALA 21 -3.165 12.572 -6.742 173 H VAL 22 H VAL 22 -3.155 10.018 -5.571 174 HA VAL 22 HA VAL 22 -5.845 9.877 -6.216 175 HB VAL 22 HB VAL 22 -3.685 7.923 -5.750 176 1HG1 VAL 22 2HG1 VAL 22 -5.423 6.984 -4.334 177 2HG1 VAL 22 1HG1 VAL 22 -6.574 7.078 -5.667 178 3HG1 VAL 22 3HG1 VAL 22 -5.183 5.997 -5.778 179 1HG2 VAL 22 3HG2 VAL 22 -4.210 8.832 -7.957 180 2HG2 VAL 22 2HG2 VAL 22 -4.439 7.083 -7.907 181 3HG2 VAL 22 1HG2 VAL 22 -5.837 8.158 -7.848 182 1HB CYS 23 2HB CYS 23 -3.694 9.102 -1.161 183 2HB CYS 23 1HB CYS 23 -4.851 9.329 0.146 184 H CYS 23 H CYS 23 -4.199 9.252 -3.183 185 HA CYS 23 HA CYS 23 -6.378 8.109 -1.795 186 1HB GLU 24 2HB GLU 24 -4.966 13.578 -1.977 187 2HB GLU 24 1HB GLU 24 -6.221 14.669 -1.407 188 1HG GLU 24 2HG GLU 24 -5.494 14.459 0.847 189 2HG GLU 24 1HG GLU 24 -4.395 13.145 0.429 190 H GLU 24 H GLU 24 -4.996 11.383 -1.650 191 HA GLU 24 HA GLU 24 -6.913 12.524 0.013 192 1HB PHE 25 2HB PHE 25 -7.770 12.725 -5.591 193 2HB PHE 25 1HB PHE 25 -8.248 11.034 -5.479 194 H PHE 25 H PHE 25 -7.177 11.543 -3.250 195 HA PHE 25 HA PHE 25 -9.429 13.282 -3.833 196 HD1 PHE 25 HD1 PHE 25 -9.536 14.420 -6.271 197 HD2 PHE 25 HD2 PHE 25 -10.038 10.218 -6.725 198 HE1 PHE 25 HE1 PHE 25 -11.305 14.815 -7.935 199 HE2 PHE 25 HE2 PHE 25 -11.807 10.605 -8.391 200 HZ PHE 25 HZ PHE 25 -12.444 12.906 -8.996 201 1HB GLU 26 2HB GLU 26 -9.098 7.728 -2.801 202 2HB GLU 26 1HB GLU 26 -10.638 7.001 -2.371 203 1HG GLU 26 2HG GLU 26 -10.942 8.162 -4.927 204 2HG GLU 26 1HG GLU 26 -9.430 7.254 -4.931 205 H GLU 26 H GLU 26 -8.802 10.000 -2.847 206 HA GLU 26 HA GLU 26 -11.624 9.292 -3.168 207 1HA GLY 27 1HA GLY 27 -12.079 10.198 1.103 208 2HA GLY 27 2HA GLY 27 -10.943 11.539 1.159 209 H GLY 27 H GLY 27 -10.493 11.108 -1.055 210 1HA GLY 28 2HA GLY 28 -7.931 8.228 2.223 211 2HA GLY 28 1HA GLY 28 -8.021 9.430 3.506 212 H GLY 28 H GLY 28 -8.565 10.778 1.145 213 1HB HIS 29 2HB HIS 29 -2.529 10.605 3.488 214 2HB HIS 29 1HB HIS 29 -4.014 11.494 3.166 215 H HIS 29 H HIS 29 -5.659 8.390 3.376 216 HA HIS 29 HA HIS 29 -3.967 9.836 1.503 217 HD1 HIS 29 HD1 HIS 29 -5.474 11.848 5.131 218 HD2 HIS 29 HD2 HIS 29 -2.951 8.586 5.642 219 HE1 HIS 29 HE1 HIS 29 -5.883 11.043 7.478 220 HE2 HIS 29 HE2 HIS 29 -4.265 9.139 7.800 221 1HB LEU 30 2HB LEU 30 0.778 8.591 2.422 222 2HB LEU 30 1HB LEU 30 1.132 6.947 1.939 223 H LEU 30 H LEU 30 -1.588 9.262 1.943 224 HA LEU 30 HA LEU 30 -1.286 6.487 1.765 225 HG LEU 30 HG LEU 30 -0.069 9.140 0.264 226 1HD1 LEU 30 3HD1 LEU 30 2.382 9.075 0.485 227 2HD1 LEU 30 2HD1 LEU 30 2.377 7.420 -0.122 228 3HD1 LEU 30 1HD1 LEU 30 1.844 8.741 -1.161 229 1HD2 LEU 30 3HD2 LEU 30 -0.885 6.523 0.134 230 2HD2 LEU 30 2HD2 LEU 30 -0.967 7.696 -1.181 231 3HD2 LEU 30 1HD2 LEU 30 0.404 6.593 -1.067 232 H ALA 31 H ALA 31 -1.725 5.121 3.372 233 HA ALA 31 HA ALA 31 -1.680 5.756 6.110 234 1HB ALA 31 1HB ALA 31 -2.034 3.312 4.507 235 2HB ALA 31 3HB ALA 31 -1.485 3.077 6.167 236 3HB ALA 31 2HB ALA 31 -2.989 3.944 5.850 237 H THR 32 H THR 32 -0.410 3.699 7.380 238 HA THR 32 HA THR 32 2.434 4.027 6.720 239 HB THR 32 HB THR 32 3.021 4.880 8.723 240 HG1 THR 32 HG1 THR 32 1.261 4.259 10.549 241 1HG2 THR 32 1HG2 THR 32 0.117 5.566 8.462 242 2HG2 THR 32 3HG2 THR 32 1.062 6.164 9.826 243 3HG2 THR 32 2HG2 THR 32 1.531 6.582 8.179 244 1HB TYR 33 2HB TYR 33 5.403 0.885 8.007 245 2HB TYR 33 1HB TYR 33 5.015 0.525 9.684 246 H TYR 33 H TYR 33 3.816 2.473 8.003 247 HA TYR 33 HA TYR 33 3.073 -0.157 7.498 248 HD1 TYR 33 HD1 TYR 33 5.813 -0.912 6.410 249 HD2 TYR 33 HD2 TYR 33 4.936 -1.759 10.485 250 HE1 TYR 33 HE1 TYR 33 6.615 -3.214 6.097 251 HE2 TYR 33 HE2 TYR 33 5.735 -4.064 10.184 252 HH TYR 33 HH TYR 33 6.883 -5.214 7.025 253 1HB LYS 34 2HB LYS 34 2.294 2.474 12.379 254 2HB LYS 34 1HB LYS 34 1.091 1.716 13.408 255 1HG LYS 34 2HG LYS 34 2.684 0.585 14.659 256 2HG LYS 34 1HG LYS 34 3.923 0.755 13.413 257 1HD LYS 34 2HD LYS 34 4.604 2.322 14.963 258 2HD LYS 34 1HD LYS 34 3.634 3.306 13.865 259 1HE LYS 34 2HE LYS 34 1.796 2.346 15.696 260 2HE LYS 34 1HE LYS 34 3.222 2.693 16.675 261 H LYS 34 H LYS 34 3.119 1.577 10.598 262 HA LYS 34 HA LYS 34 2.185 -0.472 12.225 263 1HZ LYS 34 1HZ LYS 34 2.167 4.658 14.735 264 2HZ LYS 34 3HZ LYS 34 1.561 4.562 16.313 265 3HZ LYS 34 2HZ LYS 34 3.193 4.924 16.054 266 1HB GLN 35 2HB GLN 35 -1.528 2.314 8.532 267 2HB GLN 35 1HB GLN 35 -3.006 2.551 9.450 268 1HG GLN 35 2HG GLN 35 -1.550 3.779 11.147 269 2HG GLN 35 1HG GLN 35 -0.320 3.796 9.885 270 1HE2 GLN 35 1HE2 GLN 35 -2.824 5.477 11.218 271 2HE2 GLN 35 2HE2 GLN 35 -3.180 6.542 9.905 272 H GLN 35 H GLN 35 0.364 2.002 10.444 273 HA GLN 35 HA GLN 35 -2.197 1.257 11.275 274 1HB LEU 36 2HB LEU 36 0.864 -1.262 7.393 275 2HB LEU 36 1HB LEU 36 0.379 -2.926 7.138 276 H LEU 36 H LEU 36 -0.116 0.020 8.725 277 HA LEU 36 HA LEU 36 -2.032 -1.593 7.427 278 HG LEU 36 HG LEU 36 0.646 -1.843 5.003 279 1HD1 LEU 36 3HD1 LEU 36 -1.624 -3.193 5.807 280 2HD1 LEU 36 2HD1 LEU 36 -2.253 -1.789 4.941 281 3HD1 LEU 36 1HD1 LEU 36 -1.123 -2.883 4.144 282 1HD2 LEU 36 1HD2 LEU 36 -0.333 0.414 6.330 283 2HD2 LEU 36 3HD2 LEU 36 0.152 0.288 4.639 284 3HD2 LEU 36 2HD2 LEU 36 -1.532 0.029 5.095 285 1HB GLU 37 2HB GLU 37 1.247 -3.444 11.831 286 2HB GLU 37 1HB GLU 37 -0.067 -2.731 12.750 287 1HG GLU 37 2HG GLU 37 -0.641 -5.186 13.347 288 2HG GLU 37 1HG GLU 37 1.024 -5.503 12.861 289 H GLU 37 H GLU 37 -0.100 -2.024 10.292 290 HA GLU 37 HA GLU 37 -0.414 -4.820 10.593 291 H ALA 38 H ALA 38 -2.055 -2.131 12.225 292 HA ALA 38 HA ALA 38 -3.984 -3.554 13.603 293 1HB ALA 38 1HB ALA 38 -3.555 -1.126 13.847 294 2HB ALA 38 2HB ALA 38 -5.269 -1.508 13.681 295 3HB ALA 38 3HB ALA 38 -4.372 -0.858 12.306 296 H ALA 39 H ALA 39 -3.777 -2.757 10.241 297 HA ALA 39 HA ALA 39 -6.507 -3.475 9.626 298 1HB ALA 39 1HB ALA 39 -4.192 -3.032 7.747 299 2HB ALA 39 2HB ALA 39 -5.256 -1.759 8.344 300 3HB ALA 39 3HB ALA 39 -5.906 -3.048 7.331 301 1HB ARG 40 2HB ARG 40 -1.684 -6.493 8.647 302 2HB ARG 40 1HB ARG 40 -1.950 -7.039 10.297 303 1HG ARG 40 2HG ARG 40 -2.598 -9.160 8.503 304 2HG ARG 40 1HG ARG 40 -1.004 -8.523 8.100 305 1HD ARG 40 2HD ARG 40 -0.634 -8.641 10.686 306 2HD ARG 40 1HD ARG 40 -1.956 -9.804 10.621 307 1HH1 ARG 40 1HH1 ARG 40 -1.324 -11.060 11.792 308 2HH1 ARG 40 2HH1 ARG 40 -0.505 -12.576 11.969 309 1HH2 ARG 40 1HH2 ARG 40 1.361 -12.240 9.033 310 2HH2 ARG 40 2HH2 ARG 40 1.022 -13.246 10.402 311 H ARG 40 H ARG 40 -3.375 -4.983 9.682 312 HA ARG 40 HA ARG 40 -3.997 -7.240 8.080 313 HE ARG 40 HE ARG 40 0.277 -10.245 8.808 314 1HB LYS 41 2HB LYS 41 -5.523 -8.099 14.432 315 2HB LYS 41 1HB LYS 41 -4.441 -6.899 13.741 316 1HG LYS 41 2HG LYS 41 -6.157 -5.462 13.204 317 2HG LYS 41 1HG LYS 41 -7.367 -6.747 13.194 318 1HD LYS 41 2HD LYS 41 -7.622 -6.718 15.467 319 2HD LYS 41 1HD LYS 41 -5.975 -6.150 15.753 320 1HE LYS 41 2HE LYS 41 -6.558 -3.979 15.605 321 2HE LYS 41 1HE LYS 41 -7.712 -4.273 14.305 322 H LYS 41 H LYS 41 -4.304 -6.534 11.513 323 HA LYS 41 HA LYS 41 -4.845 -9.099 12.446 324 1HZ LYS 41 1HZ LYS 41 -8.223 -4.968 17.143 325 2HZ LYS 41 3HZ LYS 41 -8.721 -3.518 16.428 326 3HZ LYS 41 2HZ LYS 41 -9.333 -4.991 15.867 327 1HG1 ILE 42 2HG1 ILE 42 -8.670 -4.956 8.830 328 2HG1 ILE 42 1HG1 ILE 42 -8.206 -6.610 8.443 329 H ILE 42 H ILE 42 -6.867 -6.793 10.790 330 HA ILE 42 HA ILE 42 -9.308 -8.243 11.341 331 HB ILE 42 HB ILE 42 -10.462 -6.546 10.269 332 1HG2 ILE 42 3HG2 ILE 42 -8.578 -5.837 12.108 333 2HG2 ILE 42 2HG2 ILE 42 -8.252 -4.705 10.796 334 3HG2 ILE 42 1HG2 ILE 42 -9.861 -4.783 11.512 335 1HD1 ILE 42 1HD1 ILE 42 -11.086 -6.091 8.347 336 2HD1 ILE 42 3HD1 ILE 42 -10.125 -5.207 7.162 337 3HD1 ILE 42 2HD1 ILE 42 -10.045 -6.968 7.224 338 1HA GLY 43 1HA GLY 43 -8.441 -10.024 7.274 339 2HA GLY 43 2HA GLY 43 -6.709 -10.171 7.532 340 H GLY 43 H GLY 43 -6.873 -8.095 8.872 341 1HB PHE 44 2HB PHE 44 -6.070 -5.207 6.487 342 2HB PHE 44 1HB PHE 44 -4.448 -5.590 5.925 343 H PHE 44 H PHE 44 -5.851 -7.599 7.110 344 HA PHE 44 HA PHE 44 -6.867 -6.713 4.536 345 HD1 PHE 44 HD1 PHE 44 -6.461 -5.632 3.106 346 HD2 PHE 44 HD2 PHE 44 -4.715 -2.921 5.882 347 HE1 PHE 44 HE1 PHE 44 -6.616 -3.829 1.440 348 HE2 PHE 44 HE2 PHE 44 -4.870 -1.114 4.222 349 HZ PHE 44 HZ PHE 44 -5.825 -1.567 1.998 350 1HB HIS 45 2HB HIS 45 -4.419 -11.078 3.497 351 2HB HIS 45 1HB HIS 45 -5.785 -10.799 2.425 352 H HIS 45 H HIS 45 -6.284 -8.672 3.384 353 HA HIS 45 HA HIS 45 -3.408 -9.014 2.914 354 HD1 HIS 45 HD1 HIS 45 -5.631 -12.599 0.731 355 HD2 HIS 45 HD2 HIS 45 -1.942 -10.829 1.454 356 HE1 HIS 45 HE1 HIS 45 -4.045 -13.649 -0.912 357 HE2 HIS 45 HE2 HIS 45 -1.802 -12.633 -0.389 358 H VAL 46 H VAL 46 -2.616 -7.919 1.254 359 HA VAL 46 HA VAL 46 -3.959 -8.047 -1.323 360 HB VAL 46 HB VAL 46 -3.184 -5.395 -0.096 361 1HG1 VAL 46 3HG1 VAL 46 -2.979 -5.947 -2.685 362 2HG1 VAL 46 2HG1 VAL 46 -4.709 -5.605 -2.633 363 3HG1 VAL 46 1HG1 VAL 46 -3.552 -4.383 -2.103 364 1HG2 VAL 46 2HG2 VAL 46 -5.786 -6.801 -0.425 365 2HG2 VAL 46 1HG2 VAL 46 -5.209 -5.785 0.897 366 3HG2 VAL 46 3HG2 VAL 46 -5.743 -5.048 -0.614 367 1HB CYS 47 2HB CYS 47 -0.381 -9.180 -4.903 368 2HB CYS 47 1HB CYS 47 0.544 -10.117 -3.734 369 H CYS 47 H CYS 47 -2.465 -8.700 -2.714 370 HA CYS 47 HA CYS 47 0.331 -8.546 -2.134 371 H ALA 48 H ALA 48 -1.716 -6.220 -3.156 372 HA ALA 48 HA ALA 48 0.088 -5.011 -5.106 373 1HB ALA 48 3HB ALA 48 -2.561 -5.077 -5.136 374 2HB ALA 48 1HB ALA 48 -1.655 -3.715 -5.797 375 3HB ALA 48 2HB ALA 48 -2.360 -3.606 -4.184 376 H ALA 49 H ALA 49 1.846 -4.418 -3.857 377 HA ALA 49 HA ALA 49 1.985 -3.302 -1.393 378 1HB ALA 49 3HB ALA 49 4.115 -3.338 -2.023 379 2HB ALA 49 2HB ALA 49 3.666 -3.336 -3.729 380 3HB ALA 49 1HB ALA 49 3.832 -1.811 -2.859 381 1HA GLY 50 2HA GLY 50 -0.150 0.367 -0.432 382 2HA GLY 50 1HA GLY 50 0.271 0.669 -2.110 383 H GLY 50 H GLY 50 1.493 -1.416 -0.418 384 1HB TRP 51 2HB TRP 51 1.736 4.768 -2.661 385 2HB TRP 51 1HB TRP 51 3.147 5.539 -1.942 386 H TRP 51 H TRP 51 1.275 2.546 -2.324 387 HA TRP 51 HA TRP 51 3.723 3.145 -1.100 388 HD1 TRP 51 HD1 TRP 51 2.098 3.326 -4.823 389 HE1 TRP 51 HE1 TRP 51 4.130 2.911 -6.361 390 HE3 TRP 51 HE3 TRP 51 5.771 5.323 -1.877 391 HZ2 TRP 51 HZ2 TRP 51 6.909 3.385 -6.329 392 HZ3 TRP 51 HZ3 TRP 51 8.089 5.305 -2.706 393 HH2 TRP 51 HH2 TRP 51 8.643 4.356 -4.886 394 1HB MET 52 2HB MET 52 3.396 4.307 4.365 395 2HB MET 52 1HB MET 52 2.040 3.544 3.548 396 1HG MET 52 2HG MET 52 3.337 1.942 2.579 397 2HG MET 52 1HG MET 52 4.778 2.957 2.566 398 H MET 52 H MET 52 4.220 3.950 0.828 399 HA MET 52 HA MET 52 2.172 5.455 2.307 400 1HE MET 52 3HE MET 52 4.312 0.018 3.130 401 2HE MET 52 2HE MET 52 5.106 -0.464 4.629 402 3HE MET 52 1HE MET 52 3.356 -0.245 4.589 403 H ALA 53 H ALA 53 3.571 6.099 4.540 404 HA ALA 53 HA ALA 53 5.009 8.334 3.852 405 1HB ALA 53 3HB ALA 53 5.322 8.644 6.071 406 2HB ALA 53 2HB ALA 53 4.148 7.333 6.179 407 3HB ALA 53 1HB ALA 53 5.870 6.988 6.337 408 1HB LYS 54 2HB LYS 54 8.932 6.170 4.905 409 2HB LYS 54 1HB LYS 54 10.470 6.397 4.087 410 1HG LYS 54 2HG LYS 54 10.825 8.481 5.282 411 2HG LYS 54 1HG LYS 54 9.256 8.310 6.070 412 1HD LYS 54 2HD LYS 54 10.673 5.902 6.499 413 2HD LYS 54 1HD LYS 54 11.781 7.231 6.850 414 1HE LYS 54 2HE LYS 54 10.807 7.284 8.860 415 2HE LYS 54 1HE LYS 54 9.461 8.071 8.034 416 H LYS 54 H LYS 54 7.230 8.876 3.882 417 HA LYS 54 HA LYS 54 9.403 8.640 3.274 418 1HZ LYS 54 2HZ LYS 54 8.501 5.832 7.686 419 2HZ LYS 54 1HZ LYS 54 9.731 5.180 8.647 420 3HZ LYS 54 3HZ LYS 54 8.618 6.265 9.317 421 1HA GLY 55 1HA GLY 55 8.737 6.662 -0.584 422 2HA GLY 55 2HA GLY 55 6.987 6.547 -0.495 423 H GLY 55 H GLY 55 7.170 7.544 1.557 424 1HB ARG 56 2HB ARG 56 8.376 3.301 3.718 425 2HB ARG 56 1HB ARG 56 6.665 2.960 3.500 426 1HG ARG 56 2HG ARG 56 7.005 0.662 3.406 427 2HG ARG 56 1HG ARG 56 8.723 0.836 3.044 428 1HD ARG 56 2HD ARG 56 7.325 1.341 5.661 429 2HD ARG 56 1HD ARG 56 8.550 0.124 5.307 430 1HH1 ARG 56 1HH1 ARG 56 8.102 1.173 7.532 431 2HH1 ARG 56 2HH1 ARG 56 9.033 2.057 8.693 432 1HH2 ARG 56 1HH2 ARG 56 11.032 3.652 6.308 433 2HH2 ARG 56 2HH2 ARG 56 10.699 3.467 7.998 434 H ARG 56 H ARG 56 7.497 4.967 2.109 435 HA ARG 56 HA ARG 56 8.772 2.551 1.370 436 HE ARG 56 HE ARG 56 9.798 2.485 4.787 437 H VAL 57 H VAL 57 7.936 0.599 0.670 438 HA VAL 57 HA VAL 57 5.096 0.541 -0.065 439 HB VAL 57 HB VAL 57 5.415 0.275 -2.271 440 1HG1 VAL 57 2HG1 VAL 57 7.871 1.595 -1.275 441 2HG1 VAL 57 1HG1 VAL 57 7.860 1.085 -2.963 442 3HG1 VAL 57 3HG1 VAL 57 6.622 2.191 -2.368 443 1HG2 VAL 57 1HG2 VAL 57 7.812 -1.399 -1.555 444 2HG2 VAL 57 3HG2 VAL 57 6.252 -1.935 -2.183 445 3HG2 VAL 57 2HG2 VAL 57 7.359 -1.036 -3.221 446 1HA GLY 58 2HA GLY 58 5.030 -3.309 1.914 447 2HA GLY 58 1HA GLY 58 5.558 -3.865 0.334 448 H GLY 58 H GLY 58 4.107 -1.393 0.191 449 1HB TYR 59 2HB TYR 59 1.373 -7.279 -1.021 450 2HB TYR 59 1HB TYR 59 1.661 -5.667 -1.671 451 H TYR 59 H TYR 59 4.170 -5.705 0.830 452 HA TYR 59 HA TYR 59 1.308 -5.141 0.538 453 HD1 TYR 59 HD1 TYR 59 4.155 -4.905 -1.787 454 HD2 TYR 59 HD2 TYR 59 2.923 -8.966 -1.414 455 HE1 TYR 59 HE1 TYR 59 6.334 -5.642 -2.656 456 HE2 TYR 59 HE2 TYR 59 5.098 -9.709 -2.285 457 HH TYR 59 HH TYR 59 7.728 -7.465 -2.829 458 1HB PRO 60 2HB PRO 60 -1.192 -7.335 4.297 459 2HB PRO 60 1HB PRO 60 0.112 -7.178 5.475 460 1HG PRO 60 2HG PRO 60 -0.998 -5.040 4.272 461 2HG PRO 60 1HG PRO 60 0.713 -5.087 4.730 462 1HD PRO 60 2HD PRO 60 -0.543 -5.421 2.044 463 2HD PRO 60 1HD PRO 60 0.980 -4.624 2.488 464 HA PRO 60 HA PRO 60 1.663 -8.012 4.031 465 1HG1 ILE 61 2HG1 ILE 61 2.668 -10.263 1.064 466 2HG1 ILE 61 1HG1 ILE 61 2.738 -11.388 -0.288 467 H ILE 61 H ILE 61 1.826 -9.955 2.937 468 HA ILE 61 HA ILE 61 -0.548 -11.030 1.622 469 HB ILE 61 HB ILE 61 2.068 -12.482 1.841 470 1HG2 ILE 61 2HG2 ILE 61 -0.404 -12.980 0.596 471 2HG2 ILE 61 1HG2 ILE 61 0.747 -12.619 -0.692 472 3HG2 ILE 61 3HG2 ILE 61 1.087 -13.913 0.458 473 1HD1 ILE 61 2HD1 ILE 61 0.203 -10.489 -0.517 474 2HD1 ILE 61 1HD1 ILE 61 1.009 -9.067 0.146 475 3HD1 ILE 61 3HD1 ILE 61 1.592 -9.793 -1.352 476 H VAL 62 H VAL 62 -1.950 -11.695 3.169 477 HA VAL 62 HA VAL 62 -0.982 -13.376 5.354 478 HB VAL 62 HB VAL 62 -3.828 -12.497 4.936 479 1HG1 VAL 62 1HG1 VAL 62 -2.256 -13.742 7.111 480 2HG1 VAL 62 3HG1 VAL 62 -3.469 -12.552 7.583 481 3HG1 VAL 62 2HG1 VAL 62 -3.942 -13.974 6.652 482 1HG2 VAL 62 2HG2 VAL 62 -2.336 -10.523 4.876 483 2HG2 VAL 62 1HG2 VAL 62 -3.401 -10.540 6.280 484 3HG2 VAL 62 3HG2 VAL 62 -1.705 -10.989 6.456 485 1HB LYS 63 2HB LYS 63 -5.155 -14.567 2.301 486 2HB LYS 63 1HB LYS 63 -4.656 -14.983 0.669 487 1HG LYS 63 2HG LYS 63 -6.474 -16.375 1.092 488 2HG LYS 63 1HG LYS 63 -5.070 -17.412 1.358 489 1HD LYS 63 2HD LYS 63 -5.510 -17.649 3.550 490 2HD LYS 63 1HD LYS 63 -5.972 -15.958 3.739 491 1HE LYS 63 2HE LYS 63 -8.090 -16.700 2.393 492 2HE LYS 63 1HE LYS 63 -7.638 -18.308 2.958 493 H LYS 63 H LYS 63 -2.706 -13.580 2.356 494 HA LYS 63 HA LYS 63 -3.323 -16.407 2.917 495 1HZ LYS 63 3HZ LYS 63 -7.489 -16.985 5.233 496 2HZ LYS 63 2HZ LYS 63 -8.653 -16.028 4.463 497 3HZ LYS 63 1HZ LYS 63 -8.931 -17.682 4.684 498 1HB PRO 64 2HB PRO 64 1.304 -18.505 0.669 499 2HB PRO 64 1HB PRO 64 1.646 -16.853 1.187 500 1HG PRO 64 2HG PRO 64 -0.021 -18.949 2.510 501 2HG PRO 64 1HG PRO 64 1.102 -17.787 3.235 502 1HD PRO 64 2HD PRO 64 -1.584 -17.444 3.276 503 2HD PRO 64 1HD PRO 64 -0.447 -16.083 3.208 504 HA PRO 64 HA PRO 64 0.015 -16.305 -0.318 505 1HA GLY 65 2HA GLY 65 -2.107 -19.138 -2.832 506 2HA GLY 65 1HA GLY 65 -0.793 -20.198 -2.345 507 H GLY 65 H GLY 65 0.017 -17.482 -2.168 508 1HB PRO 66 2HB PRO 66 -1.620 -17.165 -7.993 509 2HB PRO 66 1HB PRO 66 -2.387 -18.712 -7.626 510 1HG PRO 66 2HG PRO 66 -2.469 -16.144 -6.089 511 2HG PRO 66 1HG PRO 66 -3.788 -17.270 -6.453 512 1HD PRO 66 2HD PRO 66 -2.498 -17.215 -4.056 513 2HD PRO 66 1HD PRO 66 -3.215 -18.689 -4.736 514 HA PRO 66 HA PRO 66 -0.272 -19.212 -6.860 515 1HB ASN 67 2HB ASN 67 1.619 -13.612 -9.016 516 2HB ASN 67 1HB ASN 67 0.749 -14.978 -9.707 517 1HD2 ASN 67 1HD2 ASN 67 -1.455 -15.072 -9.556 518 2HD2 ASN 67 2HD2 ASN 67 -2.420 -13.753 -8.993 519 H ASN 67 H ASN 67 -0.519 -16.310 -8.025 520 HA ASN 67 HA ASN 67 2.188 -15.648 -7.814 521 1HB CYS 68 2HB CYS 68 -1.456 -13.352 -4.579 522 2HB CYS 68 1HB CYS 68 -1.326 -14.456 -3.215 523 H CYS 68 H CYS 68 -0.022 -15.473 -5.441 524 HA CYS 68 HA CYS 68 1.093 -13.016 -4.267 525 1HA GLY 69 2HA GLY 69 2.495 -15.721 -1.105 526 2HA GLY 69 1HA GLY 69 3.182 -14.182 -0.599 527 H GLY 69 H GLY 69 2.661 -13.334 -2.838 528 1HB PHE 70 2HB PHE 70 7.257 -13.235 -0.744 529 2HB PHE 70 1HB PHE 70 8.596 -14.374 -0.649 530 H PHE 70 H PHE 70 5.321 -14.135 -0.546 531 HA PHE 70 HA PHE 70 6.879 -15.345 -2.666 532 HD1 PHE 70 HD1 PHE 70 6.786 -12.049 -2.847 533 HD2 PHE 70 HD2 PHE 70 10.201 -14.548 -2.393 534 HE1 PHE 70 HE1 PHE 70 7.807 -11.008 -4.829 535 HE2 PHE 70 HE2 PHE 70 11.227 -13.512 -4.374 536 HZ PHE 70 HZ PHE 70 10.030 -11.740 -5.595 537 1HA GLY 71 1HA GLY 71 7.730 -18.388 0.580 538 2HA GLY 71 2HA GLY 71 6.061 -18.924 0.411 539 H GLY 71 H GLY 71 5.522 -16.483 0.099 540 1HB LYS 72 2HB LYS 72 7.982 -14.863 3.720 541 2HB LYS 72 1HB LYS 72 7.198 -14.714 5.287 542 1HG LYS 72 2HG LYS 72 9.192 -15.520 5.982 543 2HG LYS 72 1HG LYS 72 8.389 -17.060 5.666 544 1HD LYS 72 2HD LYS 72 10.266 -17.457 4.464 545 2HD LYS 72 1HD LYS 72 9.386 -16.563 3.224 546 1HE LYS 72 2HE LYS 72 11.113 -15.163 3.148 547 2HE LYS 72 1HE LYS 72 10.619 -14.596 4.743 548 H LYS 72 H LYS 72 6.920 -15.966 2.058 549 HA LYS 72 HA LYS 72 6.519 -17.256 4.660 550 1HZ LYS 72 2HZ LYS 72 12.439 -16.901 4.334 551 2HZ LYS 72 1HZ LYS 72 12.989 -15.316 4.551 552 3HZ LYS 72 3HZ LYS 72 12.116 -16.086 5.780 553 H THR 73 H THR 73 5.307 -15.929 6.303 554 HA THR 73 HA THR 73 2.915 -14.761 5.038 555 HB THR 73 HB THR 73 1.722 -15.383 7.147 556 HG1 THR 73 HG1 THR 73 4.133 -15.804 8.050 557 1HG2 THR 73 1HG2 THR 73 2.886 -17.339 5.241 558 2HG2 THR 73 3HG2 THR 73 2.060 -17.981 6.661 559 3HG2 THR 73 2HG2 THR 73 1.200 -16.921 5.545 560 1HA GLY 74 2HA GLY 74 4.139 -11.304 7.460 561 2HA GLY 74 1HA GLY 74 2.401 -11.058 7.344 562 H GLY 74 H GLY 74 2.683 -12.644 5.291 563 1HG1 ILE 75 1HG1 ILE 75 2.098 -5.561 5.393 564 2HG1 ILE 75 2HG1 ILE 75 1.808 -6.682 6.720 565 H ILE 75 H ILE 75 3.532 -8.789 7.224 566 HA ILE 75 HA ILE 75 3.003 -7.731 4.692 567 HB ILE 75 HB ILE 75 4.285 -6.671 7.159 568 1HG2 ILE 75 3HG2 ILE 75 4.573 -5.457 4.433 569 2HG2 ILE 75 2HG2 ILE 75 4.571 -4.462 5.889 570 3HG2 ILE 75 1HG2 ILE 75 5.804 -5.704 5.671 571 1HD1 ILE 75 3HD1 ILE 75 3.140 -4.839 8.072 572 2HD1 ILE 75 2HD1 ILE 75 2.520 -3.812 6.779 573 3HD1 ILE 75 1HD1 ILE 75 1.403 -4.730 7.789 574 1HG1 ILE 76 1HG1 ILE 76 5.330 -10.246 2.531 575 2HG1 ILE 76 2HG1 ILE 76 4.182 -10.068 1.208 576 H ILE 76 H ILE 76 4.145 -7.653 2.880 577 HA ILE 76 HA ILE 76 6.946 -8.495 2.944 578 HB ILE 76 HB ILE 76 5.119 -8.135 0.567 579 1HG2 ILE 76 3HG2 ILE 76 7.566 -7.922 0.137 580 2HG2 ILE 76 2HG2 ILE 76 7.760 -9.573 0.727 581 3HG2 ILE 76 1HG2 ILE 76 6.791 -9.258 -0.714 582 1HD1 ILE 76 1HD1 ILE 76 6.935 -11.255 0.972 583 2HD1 ILE 76 3HD1 ILE 76 5.427 -12.162 1.081 584 3HD1 ILE 76 2HD1 ILE 76 5.735 -11.127 -0.314 585 1HB ASP 77 2HB ASP 77 6.952 -4.094 4.194 586 2HB ASP 77 1HB ASP 77 8.664 -3.842 4.522 587 H ASP 77 H ASP 77 7.908 -6.575 3.659 588 HA ASP 77 HA ASP 77 7.859 -4.372 1.703 589 1HB TYR 78 2HB TYR 78 11.159 -4.593 -0.897 590 2HB TYR 78 1HB TYR 78 12.867 -4.240 -0.657 591 H TYR 78 H TYR 78 9.725 -3.981 0.721 592 HA TYR 78 HA TYR 78 12.162 -5.197 1.804 593 HD1 TYR 78 HD1 TYR 78 14.426 -6.058 -0.009 594 HD2 TYR 78 HD2 TYR 78 10.365 -6.840 -1.012 595 HE1 TYR 78 HE1 TYR 78 14.966 -8.438 -0.317 596 HE2 TYR 78 HE2 TYR 78 10.895 -9.221 -1.323 597 HH TYR 78 HH TYR 78 12.516 -10.841 -0.731 598 1HA GLY 79 2HA GLY 79 13.256 -1.097 2.966 599 2HA GLY 79 1HA GLY 79 11.639 -0.566 3.426 600 H GLY 79 H GLY 79 10.821 -2.549 2.576 601 1HG1 ILE 80 2HG1 ILE 80 12.691 3.276 3.321 602 2HG1 ILE 80 1HG1 ILE 80 12.451 4.949 2.825 603 H ILE 80 H ILE 80 12.767 1.502 2.624 604 HA ILE 80 HA ILE 80 11.553 2.353 0.283 605 HB ILE 80 HB ILE 80 14.055 3.593 1.399 606 1HG2 ILE 80 2HG2 ILE 80 12.146 4.325 -0.612 607 2HG2 ILE 80 1HG2 ILE 80 12.141 5.516 0.689 608 3HG2 ILE 80 3HG2 ILE 80 13.644 5.131 -0.148 609 1HD1 ILE 80 1HD1 ILE 80 10.477 3.519 1.490 610 2HD1 ILE 80 3HD1 ILE 80 10.535 2.831 3.113 611 3HD1 ILE 80 2HD1 ILE 80 10.278 4.563 2.899 612 1HB ARG 81 2HB ARG 81 12.439 2.243 -4.360 613 2HB ARG 81 1HB ARG 81 13.665 1.067 -4.812 614 1HG ARG 81 2HG ARG 81 12.068 0.221 -2.531 615 2HG ARG 81 1HG ARG 81 11.112 0.502 -3.987 616 1HD ARG 81 2HD ARG 81 13.628 -1.139 -4.012 617 2HD ARG 81 1HD ARG 81 12.051 -1.840 -3.650 618 1HH1 ARG 81 1HH1 ARG 81 12.449 -3.448 -4.587 619 2HH1 ARG 81 2HH1 ARG 81 12.159 -4.331 -6.049 620 1HH2 ARG 81 2HH2 ARG 81 11.814 -1.478 -8.042 621 2HH2 ARG 81 1HH2 ARG 81 11.798 -3.209 -8.014 622 H ARG 81 H ARG 81 12.277 2.713 -1.809 623 HA ARG 81 HA ARG 81 14.610 1.115 -2.588 624 HE ARG 81 HE ARG 81 12.199 -0.328 -6.113 625 1HB LEU 82 2HB LEU 82 17.044 4.294 -2.636 626 2HB LEU 82 1HB LEU 82 16.872 4.962 -4.237 627 H LEU 82 H LEU 82 13.968 4.209 -1.822 628 HA LEU 82 HA LEU 82 15.223 6.107 -2.040 629 HG LEU 82 HG LEU 82 18.438 6.424 -3.641 630 1HD1 LEU 82 2HD1 LEU 82 16.233 7.480 -1.876 631 2HD1 LEU 82 1HD1 LEU 82 17.705 8.360 -2.281 632 3HD1 LEU 82 3HD1 LEU 82 16.557 7.932 -3.549 633 1HD2 LEU 82 3HD2 LEU 82 18.846 4.888 -1.709 634 2HD2 LEU 82 2HD2 LEU 82 19.339 6.565 -1.464 635 3HD2 LEU 82 1HD2 LEU 82 17.843 5.965 -0.740 636 1HB ASN 83 2HB ASN 83 13.178 5.349 -8.210 637 2HB ASN 83 1HB ASN 83 14.839 5.665 -7.726 638 1HD2 ASN 83 1HD2 ASN 83 12.257 3.358 -7.802 639 2HD2 ASN 83 2HD2 ASN 83 13.198 1.979 -7.359 640 H ASN 83 H ASN 83 14.049 4.410 -4.850 641 HA ASN 83 HA ASN 83 13.637 6.973 -6.225 642 1HB ARG 84 2HB ARG 84 8.227 8.067 -4.646 643 2HB ARG 84 1HB ARG 84 9.710 8.059 -3.700 644 1HG ARG 84 2HG ARG 84 10.812 9.462 -5.287 645 2HG ARG 84 1HG ARG 84 9.465 9.326 -6.418 646 1HD ARG 84 2HD ARG 84 8.010 10.478 -4.823 647 2HD ARG 84 1HD ARG 84 9.357 10.614 -3.694 648 1HH1 ARG 84 1HH1 ARG 84 8.368 12.329 -3.191 649 2HH1 ARG 84 2HH1 ARG 84 8.520 14.052 -3.287 650 1HH2 ARG 84 1HH2 ARG 84 10.148 14.031 -6.378 651 2HH2 ARG 84 2HH2 ARG 84 9.531 15.019 -5.097 652 H ARG 84 H ARG 84 11.718 7.629 -5.339 653 HA ARG 84 HA ARG 84 9.503 5.947 -4.851 654 HE ARG 84 HE ARG 84 9.947 11.762 -6.245 655 1HB SER 85 2HB SER 85 11.208 5.951 -10.025 656 2HB SER 85 1HB SER 85 9.931 6.318 -11.183 657 H SER 85 H SER 85 10.744 6.036 -7.650 658 HA SER 85 HA SER 85 8.422 6.823 -9.236 659 HG SER 85 HG SER 85 11.575 8.024 -10.264 660 1HB GLU 86 2HB GLU 86 7.657 1.836 -6.572 661 2HB GLU 86 1HB GLU 86 8.720 0.721 -7.420 662 1HG GLU 86 2HG GLU 86 10.633 1.869 -6.809 663 2HG GLU 86 1HG GLU 86 9.748 3.354 -6.461 664 H GLU 86 H GLU 86 9.049 4.231 -7.493 665 HA GLU 86 HA GLU 86 8.885 2.058 -9.278 666 1HB ARG 87 2HB ARG 87 4.036 0.577 -11.779 667 2HB ARG 87 1HB ARG 87 5.626 1.260 -12.084 668 1HG ARG 87 2HG ARG 87 5.883 -1.128 -10.526 669 2HG ARG 87 1HG ARG 87 4.916 -1.441 -11.969 670 1HD ARG 87 2HD ARG 87 6.658 -0.535 -13.379 671 2HD ARG 87 1HD ARG 87 7.609 -0.085 -11.965 672 1HH1 ARG 87 1HH1 ARG 87 9.147 -0.419 -11.469 673 2HH1 ARG 87 2HH1 ARG 87 10.457 -1.515 -11.185 674 1HH2 ARG 87 1HH2 ARG 87 8.730 -4.330 -12.332 675 2HH2 ARG 87 2HH2 ARG 87 10.221 -3.741 -11.677 676 H ARG 87 H ARG 87 7.124 0.731 -9.827 677 HA ARG 87 HA ARG 87 4.604 2.183 -10.046 678 HE ARG 87 HE ARG 87 7.011 -2.878 -12.699 679 1HB TRP 88 2HB TRP 88 4.056 1.301 -5.493 680 2HB TRP 88 1HB TRP 88 3.034 0.016 -4.863 681 H TRP 88 H TRP 88 3.882 1.891 -7.905 682 HA TRP 88 HA TRP 88 2.984 -0.850 -7.300 683 HD1 TRP 88 HD1 TRP 88 6.495 0.803 -5.060 684 HE1 TRP 88 HE1 TRP 88 7.988 -1.295 -5.003 685 HE3 TRP 88 HE3 TRP 88 2.962 -2.725 -6.133 686 HZ2 TRP 88 HZ2 TRP 88 7.696 -4.083 -5.361 687 HZ3 TRP 88 HZ3 TRP 88 3.648 -5.085 -6.258 688 HH2 TRP 88 HH2 TRP 88 5.968 -5.748 -5.881 689 1HB ASP 89 2HB ASP 89 -0.735 -1.186 -4.636 690 2HB ASP 89 1HB ASP 89 -2.128 -0.113 -4.520 691 H ASP 89 H ASP 89 1.314 -0.368 -5.225 692 HA ASP 89 HA ASP 89 -0.853 1.133 -6.509 693 H ALA 90 H ALA 90 -2.159 1.049 -3.718 694 HA ALA 90 HA ALA 90 -0.597 2.844 -2.128 695 1HB ALA 90 3HB ALA 90 -1.151 4.583 -3.536 696 2HB ALA 90 1HB ALA 90 -2.428 4.674 -2.320 697 3HB ALA 90 2HB ALA 90 -2.753 3.929 -3.885 698 1HB TYR 91 2HB TYR 91 -1.036 1.440 1.900 699 2HB TYR 91 1HB TYR 91 -2.470 1.146 2.878 700 H TYR 91 H TYR 91 -1.141 2.529 -0.079 701 HA TYR 91 HA TYR 91 -3.660 1.173 0.506 702 HD1 TYR 91 HD1 TYR 91 -4.052 -0.754 1.616 703 HD2 TYR 91 HD2 TYR 91 0.189 -0.462 1.494 704 HE1 TYR 91 HE1 TYR 91 -3.911 -3.157 1.113 705 HE2 TYR 91 HE2 TYR 91 0.347 -2.862 0.989 706 HH TYR 91 HH TYR 91 -1.053 -4.638 0.030 707 1HB CYS 92 2HB CYS 92 -6.906 4.097 0.203 708 2HB CYS 92 1HB CYS 92 -7.268 5.487 1.219 709 H CYS 92 H CYS 92 -4.871 3.165 0.090 710 HA CYS 92 HA CYS 92 -4.631 5.539 1.485 711 1HB TYR 93 2HB TYR 93 -4.755 4.082 5.702 712 2HB TYR 93 1HB TYR 93 -4.390 5.796 5.860 713 H TYR 93 H TYR 93 -5.747 6.383 3.314 714 HA TYR 93 HA TYR 93 -7.066 4.578 5.134 715 HD1 TYR 93 HD1 TYR 93 -6.382 6.929 7.533 716 HD2 TYR 93 HD2 TYR 93 -4.724 3.016 7.732 717 HE1 TYR 93 HE1 TYR 93 -6.958 6.813 9.920 718 HE2 TYR 93 HE2 TYR 93 -5.295 2.887 10.115 719 HH TYR 93 HH TYR 93 -6.944 3.952 11.677 720 1HB ASN 94 2HB ASN 94 -9.510 7.819 4.379 721 2HB ASN 94 1HB ASN 94 -10.800 8.316 5.473 722 1HD2 ASN 94 2HD2 ASN 94 -11.204 10.240 4.491 723 2HD2 ASN 94 1HD2 ASN 94 -10.096 11.566 4.500 724 H ASN 94 H ASN 94 -8.668 5.675 6.022 725 HA ASN 94 HA ASN 94 -8.288 8.431 6.857 726 1HB PRO 95 2HB PRO 95 -11.193 9.089 11.460 727 2HB PRO 95 1HB PRO 95 -9.693 8.162 11.580 728 1HG PRO 95 2HG PRO 95 -10.315 10.561 9.903 729 2HG PRO 95 1HG PRO 95 -8.845 10.187 10.821 730 1HD PRO 95 2HD PRO 95 -9.002 9.846 8.149 731 2HD PRO 95 1HD PRO 95 -8.030 8.780 9.184 732 HA PRO 95 HA PRO 95 -10.759 6.734 10.139 733 1HB HIS 96 2HB HIS 96 -13.085 10.927 7.795 734 2HB HIS 96 1HB HIS 96 -14.587 10.723 6.901 735 H HIS 96 H HIS 96 -11.749 8.775 7.668 736 HA HIS 96 HA HIS 96 -14.560 8.485 8.480 737 HD1 HIS 96 HD1 HIS 96 -16.439 9.592 9.001 738 HD2 HIS 96 HD2 HIS 96 -13.740 12.655 9.776 739 HE1 HIS 96 HE1 HIS 96 -17.347 10.795 11.014 740 HE2 HIS 96 HE2 HIS 96 -15.656 12.594 11.513 741 H ALA 97 H ALA 97 -12.518 7.157 6.576 742 HA ALA 97 HA ALA 97 -13.704 7.576 3.975 743 1HB ALA 97 3HB ALA 97 -11.480 5.881 5.032 744 2HB ALA 97 1HB ALA 97 -11.444 7.129 3.786 745 3HB ALA 97 2HB ALA 97 -12.158 5.555 3.438 746 1HB LYS 98 2HB LYS 98 -15.770 4.395 7.123 747 2HB LYS 98 1HB LYS 98 -17.383 5.080 7.264 748 1HG LYS 98 2HG LYS 98 -18.174 3.022 7.435 749 2HG LYS 98 1HG LYS 98 -17.693 2.746 5.759 750 1HD LYS 98 2HD LYS 98 -15.641 2.481 7.904 751 2HD LYS 98 1HD LYS 98 -16.825 1.188 7.696 752 1HE LYS 98 2HE LYS 98 -15.681 0.390 5.971 753 2HE LYS 98 1HE LYS 98 -15.846 1.932 5.131 754 H LYS 98 H LYS 98 -15.757 6.881 5.514 755 HA LYS 98 HA LYS 98 -16.389 4.170 4.590 756 1HZ LYS 98 1HZ LYS 98 -13.878 2.712 6.386 757 2HZ LYS 98 3HZ LYS 98 -13.685 1.149 7.008 758 3HZ LYS 98 2HZ LYS 98 -13.541 1.421 5.345 No H/Q in entry = 758 Start of MODEL 7 1 1HA GLY 1 2HA GLY 1 -10.885 3.399 7.693 2 2HA GLY 1 1HA GLY 1 -9.815 2.274 8.516 3 H1 GLY 1 3H GLY 1 -9.431 5.217 8.490 4 H2 GLY 1 2H GLY 1 -10.189 4.365 9.739 5 H3 GLY 1 1H GLY 1 -8.557 4.087 9.397 6 H VAL 2 H VAL 2 -7.911 1.690 7.581 7 HA VAL 2 HA VAL 2 -6.970 3.117 5.225 8 HB VAL 2 HB VAL 2 -5.184 2.584 6.625 9 1HG1 VAL 2 2HG1 VAL 2 -6.826 0.381 7.396 10 2HG1 VAL 2 1HG1 VAL 2 -5.212 -0.208 6.997 11 3HG1 VAL 2 3HG1 VAL 2 -5.414 1.055 8.212 12 1HG2 VAL 2 2HG2 VAL 2 -5.261 1.532 4.105 13 2HG2 VAL 2 1HG2 VAL 2 -3.823 1.637 5.120 14 3HG2 VAL 2 3HG2 VAL 2 -4.762 0.144 5.072 15 1HB TYR 3 2HB TYR 3 -9.456 0.746 0.756 16 2HB TYR 3 1HB TYR 3 -10.139 0.788 2.375 17 H TYR 3 H TYR 3 -7.257 2.454 3.197 18 HA TYR 3 HA TYR 3 -8.133 -0.313 2.735 19 HD1 TYR 3 HD1 TYR 3 -8.984 3.038 3.689 20 HD2 TYR 3 HD2 TYR 3 -10.008 2.636 -0.420 21 HE1 TYR 3 HE1 TYR 3 -9.243 5.477 3.521 22 HE2 TYR 3 HE2 TYR 3 -10.262 5.073 -0.601 23 HH TYR 3 HH TYR 3 -10.153 7.146 2.208 24 1HB HIS 4 2HB HIS 4 -4.682 -2.203 -0.804 25 2HB HIS 4 1HB HIS 4 -6.220 -2.646 -0.075 26 H HIS 4 H HIS 4 -7.747 -1.085 0.535 27 HA HIS 4 HA HIS 4 -5.196 -0.058 -0.451 28 HD1 HIS 4 HD1 HIS 4 -8.137 -3.328 -1.668 29 HD2 HIS 4 HD2 HIS 4 -4.579 -2.389 -3.599 30 HE1 HIS 4 HE1 HIS 4 -8.418 -4.144 -4.029 31 HE2 HIS 4 HE2 HIS 4 -6.223 -3.635 -5.158 32 1HB ARG 5 2HB ARG 5 -5.647 3.060 -3.378 33 2HB ARG 5 1HB ARG 5 -6.522 3.075 -4.902 34 1HG ARG 5 2HG ARG 5 -7.884 2.239 -2.374 35 2HG ARG 5 1HG ARG 5 -7.686 3.946 -2.777 36 1HD ARG 5 2HD ARG 5 -8.727 3.366 -5.028 37 2HD ARG 5 1HD ARG 5 -9.188 1.831 -4.293 38 1HH1 ARG 5 1HH1 ARG 5 -10.213 1.031 -3.090 39 2HH1 ARG 5 2HH1 ARG 5 -11.705 1.025 -2.211 40 1HH2 ARG 5 2HH2 ARG 5 -12.197 4.477 -2.451 41 2HH2 ARG 5 1HH2 ARG 5 -12.833 2.984 -1.849 42 H ARG 5 H ARG 5 -4.852 0.582 -2.559 43 HA ARG 5 HA ARG 5 -7.134 0.640 -4.382 44 HE ARG 5 HE ARG 5 -10.230 4.475 -3.608 45 1HB GLU 6 2HB GLU 6 -6.057 -0.829 -8.082 46 2HB GLU 6 1HB GLU 6 -5.846 0.403 -9.317 47 1HG GLU 6 2HG GLU 6 -4.447 -0.944 -10.363 48 2HG GLU 6 1HG GLU 6 -3.341 -0.815 -8.996 49 H GLU 6 H GLU 6 -6.545 1.108 -6.591 50 HA GLU 6 HA GLU 6 -3.795 0.262 -7.171 51 H ALA 7 H ALA 7 -3.607 1.080 -9.782 52 HA ALA 7 HA ALA 7 -3.385 3.994 -9.458 53 1HB ALA 7 3HB ALA 7 -1.501 3.975 -10.819 54 2HB ALA 7 2HB ALA 7 -1.334 2.488 -9.884 55 3HB ALA 7 1HB ALA 7 -1.922 2.423 -11.546 56 1HB ARG 8 2HB ARG 8 -4.501 6.990 -13.296 57 2HB ARG 8 1HB ARG 8 -6.242 6.852 -13.489 58 1HG ARG 8 2HG ARG 8 -6.041 6.547 -10.823 59 2HG ARG 8 1HG ARG 8 -4.649 7.588 -11.129 60 1HD ARG 8 2HD ARG 8 -7.535 8.121 -11.795 61 2HD ARG 8 1HD ARG 8 -6.506 9.003 -10.669 62 1HH1 ARG 8 2HH1 ARG 8 -8.375 10.055 -11.789 63 2HH1 ARG 8 1HH1 ARG 8 -8.603 11.409 -12.845 64 1HH2 ARG 8 1HH2 ARG 8 -5.558 10.989 -14.511 65 2HH2 ARG 8 2HH2 ARG 8 -7.002 11.938 -14.394 66 H ARG 8 H ARG 8 -3.916 5.377 -11.200 67 HA ARG 8 HA ARG 8 -6.272 4.658 -12.590 68 HE ARG 8 HE ARG 8 -5.268 9.210 -13.114 69 1HB SER 9 2HB SER 9 -1.246 4.403 -14.514 70 2HB SER 9 1HB SER 9 -0.871 3.001 -15.518 71 H SER 9 H SER 9 -3.104 3.876 -13.209 72 HA SER 9 HA SER 9 -3.539 3.699 -16.112 73 HG SER 9 HG SER 9 -1.678 5.583 -16.303 74 1HA GLY 10 2HA GLY 10 -2.550 -0.608 -14.702 75 2HA GLY 10 1HA GLY 10 -4.059 -0.481 -13.808 76 H GLY 10 H GLY 10 -2.979 1.864 -13.211 77 1HB LYS 11 2HB LYS 11 -3.161 -4.110 -11.017 78 2HB LYS 11 1HB LYS 11 -1.654 -4.461 -11.854 79 1HG LYS 11 2HG LYS 11 -0.502 -4.322 -9.626 80 2HG LYS 11 1HG LYS 11 -2.105 -4.251 -8.890 81 1HD LYS 11 2HD LYS 11 -1.643 -6.431 -10.832 82 2HD LYS 11 1HD LYS 11 -0.773 -6.545 -9.301 83 1HE LYS 11 2HE LYS 11 -3.718 -5.984 -9.388 84 2HE LYS 11 1HE LYS 11 -3.096 -7.632 -9.467 85 H LYS 11 H LYS 11 -2.952 -2.488 -12.873 86 HA LYS 11 HA LYS 11 -2.210 -1.968 -10.234 87 1HZ LYS 11 3HZ LYS 11 -2.021 -5.980 -7.336 88 2HZ LYS 11 2HZ LYS 11 -3.659 -6.377 -7.192 89 3HZ LYS 11 1HZ LYS 11 -2.501 -7.603 -7.314 90 1HB TYR 12 2HB TYR 12 2.212 -3.278 -10.920 91 2HB TYR 12 1HB TYR 12 3.526 -2.540 -10.011 92 H TYR 12 H TYR 12 -0.331 -1.536 -9.254 93 HA TYR 12 HA TYR 12 1.863 -0.998 -8.962 94 HD1 TYR 12 HD1 TYR 12 1.111 -2.320 -7.680 95 HD2 TYR 12 HD2 TYR 12 3.254 -5.349 -9.766 96 HE1 TYR 12 HE1 TYR 12 0.714 -3.875 -5.821 97 HE2 TYR 12 HE2 TYR 12 2.856 -6.914 -7.912 98 HH TYR 12 HH TYR 12 2.376 -6.598 -5.311 99 1HB LYS 13 2HB LYS 13 0.115 1.545 -12.753 100 2HB LYS 13 1HB LYS 13 1.172 2.609 -13.671 101 1HG LYS 13 2HG LYS 13 2.366 0.726 -14.573 102 2HG LYS 13 1HG LYS 13 1.449 -0.386 -13.556 103 1HD LYS 13 2HD LYS 13 -0.629 0.503 -14.714 104 2HD LYS 13 1HD LYS 13 0.466 1.256 -15.875 105 1HE LYS 13 2HE LYS 13 0.587 -1.675 -15.226 106 2HE LYS 13 1HE LYS 13 -0.480 -1.036 -16.476 107 H LYS 13 H LYS 13 1.142 1.011 -10.196 108 HA LYS 13 HA LYS 13 3.078 1.484 -12.301 109 1HZ LYS 13 3HZ LYS 13 2.011 0.068 -16.944 110 2HZ LYS 13 2HZ LYS 13 2.296 -1.566 -16.611 111 3HZ LYS 13 1HZ LYS 13 1.234 -1.130 -17.853 112 1HB LEU 14 2HB LEU 14 0.393 5.727 -8.260 113 2HB LEU 14 1HB LEU 14 -0.405 4.542 -9.264 114 H LEU 14 H LEU 14 1.446 2.486 -9.596 115 HA LEU 14 HA LEU 14 1.715 5.333 -10.215 116 HG LEU 14 HG LEU 14 0.945 2.908 -7.597 117 1HD1 LEU 14 2HD1 LEU 14 0.803 5.539 -6.302 118 2HD1 LEU 14 1HD1 LEU 14 0.236 4.185 -5.325 119 3HD1 LEU 14 3HD1 LEU 14 1.870 4.170 -5.988 120 1HD2 LEU 14 3HD2 LEU 14 -1.663 3.506 -8.137 121 2HD2 LEU 14 2HD2 LEU 14 -1.117 2.264 -7.008 122 3HD2 LEU 14 1HD2 LEU 14 -1.552 3.868 -6.415 123 H THR 15 H THR 15 2.558 6.710 -8.383 124 HA THR 15 HA THR 15 4.910 5.402 -7.173 125 HB THR 15 HB THR 15 6.193 7.358 -7.478 126 HG1 THR 15 HG1 THR 15 4.714 8.950 -6.914 127 1HG2 THR 15 1HG2 THR 15 4.686 6.339 -9.766 128 2HG2 THR 15 3HG2 THR 15 5.336 7.959 -10.019 129 3HG2 THR 15 2HG2 THR 15 6.417 6.633 -9.591 130 1HB TYR 16 2HB TYR 16 6.387 7.594 -3.112 131 2HB TYR 16 1HB TYR 16 6.365 9.195 -3.841 132 H TYR 16 H TYR 16 5.656 7.762 -5.712 133 HA TYR 16 HA TYR 16 3.964 7.404 -3.406 134 HD1 TYR 16 HD1 TYR 16 5.139 7.253 -0.929 135 HD2 TYR 16 HD2 TYR 16 5.963 11.106 -2.533 136 HE1 TYR 16 HE1 TYR 16 4.755 8.250 1.285 137 HE2 TYR 16 HE2 TYR 16 5.585 12.115 -0.323 138 HH TYR 16 HH TYR 16 5.665 10.584 2.436 139 H ALA 17 H ALA 17 5.002 10.206 -5.343 140 HA ALA 17 HA ALA 17 3.233 12.059 -4.206 141 1HB ALA 17 2HB ALA 17 4.299 12.077 -7.028 142 2HB ALA 17 3HB ALA 17 5.198 12.633 -5.616 143 3HB ALA 17 1HB ALA 17 3.720 13.463 -6.103 144 1HB GLU 18 2HB GLU 18 1.841 8.065 -8.013 145 2HB GLU 18 1HB GLU 18 0.213 8.260 -8.651 146 1HG GLU 18 2HG GLU 18 0.873 9.835 -10.212 147 2HG GLU 18 1HG GLU 18 2.340 10.245 -9.323 148 H GLU 18 H GLU 18 2.845 9.665 -6.717 149 HA GLU 18 HA GLU 18 0.336 10.652 -7.684 150 H ALA 19 H ALA 19 1.224 7.768 -5.807 151 HA ALA 19 HA ALA 19 -1.252 6.836 -5.118 152 1HB ALA 19 1HB ALA 19 0.126 5.383 -4.148 153 2HB ALA 19 2HB ALA 19 0.260 6.512 -2.800 154 3HB ALA 19 3HB ALA 19 1.436 6.565 -4.114 155 1HB LYS 20 2HB LYS 20 1.197 10.764 -1.738 156 2HB LYS 20 1HB LYS 20 0.491 12.003 -2.767 157 1HG LYS 20 2HG LYS 20 -0.449 13.114 -1.024 158 2HG LYS 20 1HG LYS 20 -0.673 11.650 -0.066 159 1HD LYS 20 2HD LYS 20 1.378 11.792 0.876 160 2HD LYS 20 1HD LYS 20 2.123 12.429 -0.591 161 1HE LYS 20 2HE LYS 20 2.245 14.251 0.807 162 2HE LYS 20 1HE LYS 20 0.729 14.561 -0.037 163 H LYS 20 H LYS 20 0.547 9.465 -3.610 164 HA LYS 20 HA LYS 20 -1.156 9.868 -1.422 165 1HZ LYS 20 3HZ LYS 20 0.049 13.031 2.142 166 2HZ LYS 20 2HZ LYS 20 1.184 14.135 2.736 167 3HZ LYS 20 1HZ LYS 20 -0.208 14.693 1.953 168 H ALA 21 H ALA 21 -0.967 11.542 -4.554 169 HA ALA 21 HA ALA 21 -3.144 13.273 -4.091 170 1HB ALA 21 1HB ALA 21 -3.102 13.698 -6.481 171 2HB ALA 21 2HB ALA 21 -2.101 12.269 -6.740 172 3HB ALA 21 3HB ALA 21 -1.459 13.646 -5.843 173 H VAL 22 H VAL 22 -2.960 10.100 -5.673 174 HA VAL 22 HA VAL 22 -5.566 9.898 -6.592 175 HB VAL 22 HB VAL 22 -3.438 7.984 -5.859 176 1HG1 VAL 22 3HG1 VAL 22 -6.317 7.126 -6.070 177 2HG1 VAL 22 2HG1 VAL 22 -4.927 6.041 -6.084 178 3HG1 VAL 22 1HG1 VAL 22 -5.282 7.002 -4.648 179 1HG2 VAL 22 2HG2 VAL 22 -3.700 8.855 -8.124 180 2HG2 VAL 22 1HG2 VAL 22 -3.938 7.108 -8.081 181 3HG2 VAL 22 3HG2 VAL 22 -5.329 8.184 -8.200 182 1HB CYS 23 2HB CYS 23 -3.923 8.935 -1.326 183 2HB CYS 23 1HB CYS 23 -5.198 9.086 -0.123 184 H CYS 23 H CYS 23 -4.219 9.278 -3.406 185 HA CYS 23 HA CYS 23 -6.638 8.261 -2.273 186 1HB GLU 24 2HB GLU 24 -4.275 13.226 -1.388 187 2HB GLU 24 1HB GLU 24 -5.403 14.537 -1.701 188 1HG GLU 24 2HG GLU 24 -5.602 13.642 1.028 189 2HG GLU 24 1HG GLU 24 -3.942 14.070 0.623 190 H GLU 24 H GLU 24 -4.844 11.283 -1.726 191 HA GLU 24 HA GLU 24 -6.794 12.569 -0.207 192 1HB PHE 25 2HB PHE 25 -7.016 12.864 -5.898 193 2HB PHE 25 1HB PHE 25 -7.928 11.368 -5.722 194 H PHE 25 H PHE 25 -6.913 11.739 -3.460 195 HA PHE 25 HA PHE 25 -8.548 13.973 -4.309 196 HD1 PHE 25 HD1 PHE 25 -8.229 14.898 -6.820 197 HD2 PHE 25 HD2 PHE 25 -9.787 10.944 -7.058 198 HE1 PHE 25 HE1 PHE 25 -9.728 15.602 -8.638 199 HE2 PHE 25 HE2 PHE 25 -11.288 11.642 -8.878 200 HZ PHE 25 HZ PHE 25 -11.260 13.973 -9.671 201 1HB GLU 26 2HB GLU 26 -9.869 8.649 -2.799 202 2HB GLU 26 1HB GLU 26 -11.595 8.404 -2.596 203 1HG GLU 26 2HG GLU 26 -11.372 9.184 -5.228 204 2HG GLU 26 1HG GLU 26 -9.948 8.174 -4.971 205 H GLU 26 H GLU 26 -8.954 10.692 -3.190 206 HA GLU 26 HA GLU 26 -11.816 10.733 -3.730 207 1HA GLY 27 1HA GLY 27 -11.977 11.796 0.606 208 2HA GLY 27 2HA GLY 27 -10.636 12.931 0.581 209 H GLY 27 H GLY 27 -9.794 11.825 -1.357 210 1HA GLY 28 2HA GLY 28 -8.184 9.349 2.153 211 2HA GLY 28 1HA GLY 28 -8.335 10.607 3.373 212 H GLY 28 H GLY 28 -8.434 11.812 0.837 213 1HB HIS 29 2HB HIS 29 -3.048 10.438 4.386 214 2HB HIS 29 1HB HIS 29 -3.349 11.862 3.395 215 H HIS 29 H HIS 29 -6.061 9.084 3.215 216 HA HIS 29 HA HIS 29 -4.056 10.554 1.726 217 HD1 HIS 29 HD1 HIS 29 -5.217 9.593 5.799 218 HD2 HIS 29 HD2 HIS 29 -5.317 13.482 4.336 219 HE1 HIS 29 HE1 HIS 29 -7.004 10.765 7.126 220 HE2 HIS 29 HE2 HIS 29 -7.028 13.125 6.242 221 1HB LEU 30 2HB LEU 30 0.269 8.751 2.114 222 2HB LEU 30 1HB LEU 30 0.588 7.031 2.050 223 H LEU 30 H LEU 30 -1.862 9.584 2.037 224 HA LEU 30 HA LEU 30 -1.970 6.789 1.734 225 HG LEU 30 HG LEU 30 -0.593 8.743 -0.133 226 1HD1 LEU 30 1HD1 LEU 30 2.019 8.325 0.520 227 2HD1 LEU 30 3HD1 LEU 30 1.730 7.041 -0.654 228 3HD1 LEU 30 2HD1 LEU 30 1.430 8.723 -1.094 229 1HD2 LEU 30 2HD2 LEU 30 -0.970 5.951 0.382 230 2HD2 LEU 30 1HD2 LEU 30 -1.608 6.940 -0.931 231 3HD2 LEU 30 3HD2 LEU 30 -0.031 6.167 -1.095 232 H ALA 31 H ALA 31 -2.174 5.266 3.235 233 HA ALA 31 HA ALA 31 -2.210 5.768 5.989 234 1HB ALA 31 3HB ALA 31 -2.241 3.334 4.302 235 2HB ALA 31 2HB ALA 31 -1.854 3.143 6.012 236 3HB ALA 31 1HB ALA 31 -3.383 3.880 5.531 237 H THR 32 H THR 32 -0.785 3.761 7.195 238 HA THR 32 HA THR 32 2.030 4.309 6.574 239 HB THR 32 HB THR 32 2.532 5.268 8.537 240 HG1 THR 32 HG1 THR 32 2.345 3.674 9.975 241 1HG2 THR 32 3HG2 THR 32 -0.127 5.934 7.843 242 2HG2 THR 32 2HG2 THR 32 -0.054 5.829 9.601 243 3HG2 THR 32 1HG2 THR 32 1.042 6.907 8.736 244 1HB TYR 33 2HB TYR 33 5.199 1.265 7.623 245 2HB TYR 33 1HB TYR 33 4.887 1.021 9.335 246 H TYR 33 H TYR 33 3.524 2.809 7.649 247 HA TYR 33 HA TYR 33 2.912 0.153 7.234 248 HD1 TYR 33 HD1 TYR 33 5.320 -0.751 6.109 249 HD2 TYR 33 HD2 TYR 33 5.243 -1.078 10.351 250 HE1 TYR 33 HE1 TYR 33 6.208 -3.038 5.942 251 HE2 TYR 33 HE2 TYR 33 6.131 -3.366 10.196 252 HH TYR 33 HH TYR 33 6.262 -5.093 7.270 253 1HB LYS 34 2HB LYS 34 2.712 2.487 12.302 254 2HB LYS 34 1HB LYS 34 1.054 2.259 12.833 255 1HG LYS 34 2HG LYS 34 2.585 0.190 13.989 256 2HG LYS 34 1HG LYS 34 3.472 1.697 14.219 257 1HD LYS 34 2HD LYS 34 2.123 2.119 15.940 258 2HD LYS 34 1HD LYS 34 0.824 2.349 14.768 259 1HE LYS 34 2HE LYS 34 1.281 -0.455 15.300 260 2HE LYS 34 1HE LYS 34 0.944 0.435 16.785 261 H LYS 34 H LYS 34 3.050 1.833 10.367 262 HA LYS 34 HA LYS 34 2.252 -0.250 12.001 263 1HZ LYS 34 2HZ LYS 34 -0.998 1.413 15.468 264 2HZ LYS 34 1HZ LYS 34 -0.760 0.126 14.396 265 3HZ LYS 34 3HZ LYS 34 -1.138 -0.181 16.016 266 1HB GLN 35 2HB GLN 35 -1.610 2.528 8.609 267 2HB GLN 35 1HB GLN 35 -3.201 2.418 9.343 268 1HG GLN 35 2HG GLN 35 -2.399 3.774 11.233 269 2HG GLN 35 1HG GLN 35 -0.842 3.935 10.424 270 1HE2 GLN 35 1HE2 GLN 35 -3.002 5.875 11.205 271 2HE2 GLN 35 2HE2 GLN 35 -3.314 6.773 9.762 272 H GLN 35 H GLN 35 0.219 2.148 10.340 273 HA GLN 35 HA GLN 35 -2.252 1.225 11.262 274 1HB LEU 36 2HB LEU 36 0.754 -0.953 7.165 275 2HB LEU 36 1HB LEU 36 0.481 -2.680 7.055 276 H LEU 36 H LEU 36 -0.183 0.142 8.651 277 HA LEU 36 HA LEU 36 -2.067 -1.516 7.343 278 HG LEU 36 HG LEU 36 0.532 -1.749 4.837 279 1HD1 LEU 36 3HD1 LEU 36 -1.429 -3.372 5.767 280 2HD1 LEU 36 2HD1 LEU 36 -2.377 -2.082 5.030 281 3HD1 LEU 36 1HD1 LEU 36 -1.191 -2.965 4.069 282 1HD2 LEU 36 1HD2 LEU 36 -0.728 0.456 6.048 283 2HD2 LEU 36 3HD2 LEU 36 -0.202 0.290 4.373 284 3HD2 LEU 36 2HD2 LEU 36 -1.845 -0.162 4.830 285 1HB GLU 37 2HB GLU 37 1.483 -3.355 11.564 286 2HB GLU 37 1HB GLU 37 0.185 -2.673 12.528 287 1HG GLU 37 2HG GLU 37 -0.314 -5.144 13.131 288 2HG GLU 37 1HG GLU 37 1.345 -5.417 12.596 289 H GLU 37 H GLU 37 0.016 -1.942 10.108 290 HA GLU 37 HA GLU 37 -0.167 -4.747 10.356 291 H ALA 38 H ALA 38 -1.863 -2.176 12.110 292 HA ALA 38 HA ALA 38 -3.659 -3.726 13.534 293 1HB ALA 38 2HB ALA 38 -3.318 -1.288 13.831 294 2HB ALA 38 3HB ALA 38 -5.019 -1.745 13.748 295 3HB ALA 38 1HB ALA 38 -4.234 -1.012 12.349 296 H ALA 39 H ALA 39 -3.673 -2.773 10.193 297 HA ALA 39 HA ALA 39 -6.384 -3.523 9.650 298 1HB ALA 39 3HB ALA 39 -4.101 -3.204 7.708 299 2HB ALA 39 1HB ALA 39 -5.113 -1.882 8.288 300 3HB ALA 39 2HB ALA 39 -5.824 -3.182 7.331 301 1HB ARG 40 2HB ARG 40 -1.767 -6.697 8.341 302 2HB ARG 40 1HB ARG 40 -1.752 -7.077 10.058 303 1HG ARG 40 2HG ARG 40 -2.596 -9.431 9.058 304 2HG ARG 40 1HG ARG 40 -1.601 -8.856 7.719 305 1HD ARG 40 2HD ARG 40 -0.131 -10.083 9.070 306 2HD ARG 40 1HD ARG 40 0.196 -8.397 9.465 307 1HH1 ARG 40 1HH1 ARG 40 -0.142 -11.591 9.771 308 2HH1 ARG 40 2HH1 ARG 40 -0.270 -12.625 11.154 309 1HH2 ARG 40 1HH2 ARG 40 -1.236 -10.071 13.337 310 2HH2 ARG 40 2HH2 ARG 40 -0.891 -11.762 13.180 311 H ARG 40 H ARG 40 -3.291 -5.106 9.677 312 HA ARG 40 HA ARG 40 -4.133 -7.435 8.228 313 HE ARG 40 HE ARG 40 -1.066 -8.718 11.509 314 1HB LYS 41 2HB LYS 41 -5.424 -6.284 13.652 315 2HB LYS 41 1HB LYS 41 -5.248 -7.669 14.721 316 1HG LYS 41 2HG LYS 41 -2.717 -7.453 14.069 317 2HG LYS 41 1HG LYS 41 -3.184 -5.792 13.691 318 1HD LYS 41 2HD LYS 41 -3.243 -5.244 15.848 319 2HD LYS 41 1HD LYS 41 -4.284 -6.619 16.226 320 1HE LYS 41 2HE LYS 41 -2.406 -8.064 16.490 321 2HE LYS 41 1HE LYS 41 -1.305 -6.842 15.857 322 H LYS 41 H LYS 41 -3.899 -6.505 11.606 323 HA LYS 41 HA LYS 41 -4.181 -8.926 12.875 324 1HZ LYS 41 2HZ LYS 41 -2.221 -5.477 17.862 325 2HZ LYS 41 1HZ LYS 41 -2.584 -7.004 18.492 326 3HZ LYS 41 3HZ LYS 41 -0.988 -6.610 18.094 327 1HG1 ILE 42 1HG1 ILE 42 -8.213 -5.575 9.658 328 2HG1 ILE 42 2HG1 ILE 42 -8.110 -7.185 8.953 329 H ILE 42 H ILE 42 -6.522 -7.184 11.011 330 HA ILE 42 HA ILE 42 -8.723 -8.829 11.999 331 HB ILE 42 HB ILE 42 -10.199 -7.427 10.748 332 1HG2 ILE 42 1HG2 ILE 42 -9.192 -6.558 12.881 333 2HG2 ILE 42 3HG2 ILE 42 -8.099 -5.595 11.887 334 3HG2 ILE 42 2HG2 ILE 42 -9.839 -5.327 11.797 335 1HD1 ILE 42 3HD1 ILE 42 -10.840 -6.231 9.128 336 2HD1 ILE 42 2HD1 ILE 42 -9.803 -5.168 8.174 337 3HD1 ILE 42 1HD1 ILE 42 -9.947 -6.874 7.750 338 1HA GLY 43 1HA GLY 43 -8.125 -10.632 7.865 339 2HA GLY 43 2HA GLY 43 -6.370 -10.515 7.918 340 H GLY 43 H GLY 43 -6.728 -8.369 9.158 341 1HB PHE 44 2HB PHE 44 -7.132 -5.468 6.484 342 2HB PHE 44 1HB PHE 44 -5.383 -5.619 6.377 343 H PHE 44 H PHE 44 -6.054 -7.813 7.387 344 HA PHE 44 HA PHE 44 -7.380 -7.299 4.845 345 HD1 PHE 44 HD1 PHE 44 -7.730 -5.849 3.541 346 HD2 PHE 44 HD2 PHE 44 -4.868 -3.462 5.591 347 HE1 PHE 44 HE1 PHE 44 -7.712 -4.263 1.658 348 HE2 PHE 44 HE2 PHE 44 -4.844 -1.870 3.713 349 HZ PHE 44 HZ PHE 44 -6.268 -2.270 1.745 350 1HB HIS 45 2HB HIS 45 -3.501 -10.936 3.547 351 2HB HIS 45 1HB HIS 45 -5.250 -11.053 3.418 352 H HIS 45 H HIS 45 -6.363 -9.104 3.751 353 HA HIS 45 HA HIS 45 -3.513 -8.721 3.169 354 HD1 HIS 45 HD1 HIS 45 -6.173 -12.072 1.325 355 HD2 HIS 45 HD2 HIS 45 -2.140 -11.136 0.996 356 HE1 HIS 45 HE1 HIS 45 -5.423 -13.079 -0.852 357 HE2 HIS 45 HE2 HIS 45 -3.005 -12.412 -1.078 358 H VAL 46 H VAL 46 -2.793 -8.206 1.194 359 HA VAL 46 HA VAL 46 -4.396 -8.523 -1.171 360 HB VAL 46 HB VAL 46 -5.422 -6.527 -1.007 361 1HG1 VAL 46 2HG1 VAL 46 -3.731 -6.286 1.273 362 2HG1 VAL 46 1HG1 VAL 46 -3.749 -4.746 0.414 363 3HG1 VAL 46 3HG1 VAL 46 -5.264 -5.479 0.942 364 1HG2 VAL 46 3HG2 VAL 46 -3.780 -6.170 -2.802 365 2HG2 VAL 46 2HG2 VAL 46 -4.204 -4.669 -1.980 366 3HG2 VAL 46 1HG2 VAL 46 -2.669 -5.463 -1.629 367 1HB CYS 47 2HB CYS 47 -1.059 -9.449 -5.141 368 2HB CYS 47 1HB CYS 47 -0.094 -10.285 -3.928 369 H CYS 47 H CYS 47 -3.103 -8.816 -2.889 370 HA CYS 47 HA CYS 47 -0.244 -8.576 -2.496 371 H ALA 48 H ALA 48 -0.882 -6.108 -2.438 372 HA ALA 48 HA ALA 48 0.154 -5.020 -4.905 373 1HB ALA 48 2HB ALA 48 -2.456 -5.123 -4.988 374 2HB ALA 48 3HB ALA 48 -1.602 -3.683 -5.544 375 3HB ALA 48 1HB ALA 48 -2.345 -3.706 -3.944 376 H ALA 49 H ALA 49 1.919 -4.398 -3.689 377 HA ALA 49 HA ALA 49 2.136 -3.273 -1.252 378 1HB ALA 49 2HB ALA 49 4.237 -3.158 -1.940 379 2HB ALA 49 1HB ALA 49 3.722 -3.306 -3.620 380 3HB ALA 49 3HB ALA 49 3.836 -1.714 -2.870 381 1HA GLY 50 2HA GLY 50 -0.128 0.289 -0.205 382 2HA GLY 50 1HA GLY 50 0.346 0.688 -1.850 383 H GLY 50 H GLY 50 1.614 -1.430 -0.228 384 1HB TRP 51 2HB TRP 51 1.859 4.786 -2.192 385 2HB TRP 51 1HB TRP 51 3.249 5.521 -1.397 386 H TRP 51 H TRP 51 1.462 2.504 -2.015 387 HA TRP 51 HA TRP 51 3.800 3.102 -0.634 388 HD1 TRP 51 HD1 TRP 51 2.290 3.398 -4.387 389 HE1 TRP 51 HE1 TRP 51 4.362 3.076 -5.894 390 HE3 TRP 51 HE3 TRP 51 5.861 5.348 -1.289 391 HZ2 TRP 51 HZ2 TRP 51 7.134 3.588 -5.779 392 HZ3 TRP 51 HZ3 TRP 51 8.197 5.396 -2.063 393 HH2 TRP 51 HH2 TRP 51 8.818 4.534 -4.261 394 1HB MET 52 2HB MET 52 2.726 3.846 4.858 395 2HB MET 52 1HB MET 52 1.529 3.305 3.691 396 1HG MET 52 2HG MET 52 3.786 2.216 2.663 397 2HG MET 52 1HG MET 52 4.138 2.171 4.390 398 H MET 52 H MET 52 4.153 3.671 1.395 399 HA MET 52 HA MET 52 2.195 5.338 2.795 400 1HE MET 52 2HE MET 52 4.500 -0.178 3.945 401 2HE MET 52 1HE MET 52 3.258 -1.386 4.274 402 3HE MET 52 3HE MET 52 3.568 -0.869 2.617 403 H ALA 53 H ALA 53 3.185 5.947 5.049 404 HA ALA 53 HA ALA 53 4.737 7.315 6.033 405 1HB ALA 53 3HB ALA 53 6.917 5.479 5.224 406 2HB ALA 53 2HB ALA 53 6.521 6.144 6.810 407 3HB ALA 53 1HB ALA 53 5.583 4.800 6.157 408 1HB LYS 54 2HB LYS 54 9.428 8.239 5.149 409 2HB LYS 54 1HB LYS 54 9.982 8.529 3.507 410 1HG LYS 54 2HG LYS 54 9.718 10.953 3.877 411 2HG LYS 54 1HG LYS 54 9.261 10.620 5.548 412 1HD LYS 54 2HD LYS 54 11.430 9.598 5.960 413 2HD LYS 54 1HD LYS 54 11.890 9.864 4.277 414 1HE LYS 54 2HE LYS 54 11.018 12.344 5.304 415 2HE LYS 54 1HE LYS 54 12.104 11.641 6.502 416 H LYS 54 H LYS 54 7.409 7.785 5.549 417 HA LYS 54 HA LYS 54 7.497 9.888 3.859 418 1HZ LYS 54 1HZ LYS 54 12.943 11.568 3.704 419 2HZ LYS 54 3HZ LYS 54 12.994 13.063 4.495 420 3HZ LYS 54 2HZ LYS 54 13.871 11.753 5.106 421 1HA GLY 55 1HA GLY 55 8.504 7.021 0.237 422 2HA GLY 55 2HA GLY 55 6.788 6.701 0.428 423 H GLY 55 H GLY 55 7.840 6.503 2.950 424 1HB ARG 56 2HB ARG 56 8.366 3.231 4.062 425 2HB ARG 56 1HB ARG 56 6.785 2.489 3.856 426 1HG ARG 56 2HG ARG 56 7.788 0.383 3.284 427 2HG ARG 56 1HG ARG 56 9.398 1.103 3.294 428 1HD ARG 56 2HD ARG 56 7.723 1.317 5.745 429 2HD ARG 56 1HD ARG 56 8.482 -0.230 5.374 430 1HH1 ARG 56 2HH1 ARG 56 9.599 -1.146 6.169 431 2HH1 ARG 56 1HH1 ARG 56 11.115 -1.340 6.985 432 1HH2 ARG 56 1HH2 ARG 56 11.994 2.039 6.763 433 2HH2 ARG 56 2HH2 ARG 56 12.477 0.473 7.324 434 H ARG 56 H ARG 56 7.105 4.831 2.607 435 HA ARG 56 HA ARG 56 8.763 2.686 1.591 436 HE ARG 56 HE ARG 56 9.997 2.281 5.689 437 H VAL 57 H VAL 57 7.997 0.655 0.891 438 HA VAL 57 HA VAL 57 5.152 0.582 0.138 439 HB VAL 57 HB VAL 57 5.542 0.215 -2.044 440 1HG1 VAL 57 1HG1 VAL 57 7.329 2.044 -1.055 441 2HG1 VAL 57 3HG1 VAL 57 8.353 0.990 -2.029 442 3HG1 VAL 57 2HG1 VAL 57 6.959 1.787 -2.760 443 1HG2 VAL 57 1HG2 VAL 57 7.913 -1.407 -1.163 444 2HG2 VAL 57 3HG2 VAL 57 6.408 -1.964 -1.895 445 3HG2 VAL 57 2HG2 VAL 57 7.581 -1.071 -2.863 446 1HA GLY 58 2HA GLY 58 4.984 -3.316 1.994 447 2HA GLY 58 1HA GLY 58 5.526 -3.886 0.426 448 H GLY 58 H GLY 58 4.165 -1.429 0.112 449 1HB TYR 59 2HB TYR 59 1.081 -6.819 -1.274 450 2HB TYR 59 1HB TYR 59 1.677 -5.212 -1.679 451 H TYR 59 H TYR 59 4.119 -5.686 0.755 452 HA TYR 59 HA TYR 59 1.258 -5.113 0.634 453 HD1 TYR 59 HD1 TYR 59 4.244 -4.909 -1.805 454 HD2 TYR 59 HD2 TYR 59 2.320 -8.713 -1.858 455 HE1 TYR 59 HE1 TYR 59 6.249 -5.906 -2.814 456 HE2 TYR 59 HE2 TYR 59 4.325 -9.713 -2.865 457 HH TYR 59 HH TYR 59 7.309 -7.961 -3.161 458 1HB PRO 60 2HB PRO 60 -0.744 -8.307 4.539 459 2HB PRO 60 1HB PRO 60 0.639 -7.397 5.150 460 1HG PRO 60 2HG PRO 60 -1.505 -6.550 3.256 461 2HG PRO 60 1HG PRO 60 -0.713 -5.625 4.544 462 1HD PRO 60 1HD PRO 60 -0.088 -5.306 1.934 463 2HD PRO 60 2HD PRO 60 1.108 -5.113 3.230 464 HA PRO 60 HA PRO 60 1.819 -8.538 3.562 465 1HG1 ILE 61 2HG1 ILE 61 2.508 -10.395 0.370 466 2HG1 ILE 61 1HG1 ILE 61 2.397 -11.324 -1.122 467 H ILE 61 H ILE 61 1.748 -10.475 2.597 468 HA ILE 61 HA ILE 61 -0.656 -11.196 1.069 469 HB ILE 61 HB ILE 61 1.971 -12.659 0.969 470 1HG2 ILE 61 3HG2 ILE 61 -0.562 -13.142 -0.122 471 2HG2 ILE 61 2HG2 ILE 61 0.433 -12.562 -1.459 472 3HG2 ILE 61 1HG2 ILE 61 0.950 -13.961 -0.517 473 1HD1 ILE 61 2HD1 ILE 61 -0.126 -10.420 -0.944 474 2HD1 ILE 61 1HD1 ILE 61 0.738 -9.108 -0.145 475 3HD1 ILE 61 3HD1 ILE 61 1.168 -9.573 -1.791 476 H VAL 62 H VAL 62 -1.983 -11.956 2.674 477 HA VAL 62 HA VAL 62 -1.044 -13.972 4.533 478 HB VAL 62 HB VAL 62 -3.719 -12.647 4.121 479 1HG1 VAL 62 1HG1 VAL 62 -3.198 -15.204 5.299 480 2HG1 VAL 62 3HG1 VAL 62 -3.750 -14.077 6.538 481 3HG1 VAL 62 2HG1 VAL 62 -4.733 -14.358 5.101 482 1HG2 VAL 62 1HG2 VAL 62 -1.419 -11.990 5.615 483 2HG2 VAL 62 3HG2 VAL 62 -2.986 -11.180 5.613 484 3HG2 VAL 62 2HG2 VAL 62 -2.665 -12.475 6.766 485 1HB LYS 63 2HB LYS 63 -5.324 -14.950 1.640 486 2HB LYS 63 1HB LYS 63 -5.053 -15.064 -0.093 487 1HG LYS 63 2HG LYS 63 -5.069 -17.642 0.392 488 2HG LYS 63 1HG LYS 63 -5.972 -17.143 1.824 489 1HD LYS 63 2HD LYS 63 -7.727 -16.281 0.573 490 2HD LYS 63 1HD LYS 63 -6.741 -16.114 -0.879 491 1HE LYS 63 2HE LYS 63 -8.251 -17.930 -1.222 492 2HE LYS 63 1HE LYS 63 -6.635 -18.599 -1.010 493 H LYS 63 H LYS 63 -2.989 -13.744 1.621 494 HA LYS 63 HA LYS 63 -3.257 -16.680 1.623 495 1HZ LYS 63 2HZ LYS 63 -7.224 -19.031 1.335 496 2HZ LYS 63 1HZ LYS 63 -8.805 -18.524 1.013 497 3HZ LYS 63 3HZ LYS 63 -8.181 -19.895 0.240 498 1HB PRO 64 2HB PRO 64 0.499 -18.398 -1.919 499 2HB PRO 64 1HB PRO 64 1.240 -17.147 -0.919 500 1HG PRO 64 2HG PRO 64 -0.720 -19.266 -0.165 501 2HG PRO 64 1HG PRO 64 0.666 -18.644 0.745 502 1HD PRO 64 2HD PRO 64 -1.863 -17.917 1.318 503 2HD PRO 64 1HD PRO 64 -0.497 -16.796 1.500 504 HA PRO 64 HA PRO 64 -0.342 -15.771 -1.804 505 1HA GLY 65 2HA GLY 65 -2.759 -17.533 -4.948 506 2HA GLY 65 1HA GLY 65 -1.476 -18.711 -5.187 507 H GLY 65 H GLY 65 -0.138 -16.745 -3.968 508 1HB PRO 66 2HB PRO 66 -2.993 -17.095 -10.044 509 2HB PRO 66 1HB PRO 66 -1.486 -17.720 -10.720 510 1HG PRO 66 2HG PRO 66 -3.238 -19.355 -9.551 511 2HG PRO 66 1HG PRO 66 -1.493 -19.590 -9.347 512 1HD PRO 66 1HD PRO 66 -3.489 -18.453 -7.442 513 2HD PRO 66 2HD PRO 66 -2.067 -19.464 -7.117 514 HA PRO 66 HA PRO 66 -0.216 -16.907 -8.985 515 1HB ASN 67 2HB ASN 67 -3.286 -13.981 -10.879 516 2HB ASN 67 1HB ASN 67 -3.531 -12.704 -9.693 517 1HD2 ASN 67 2HD2 ASN 67 -5.006 -12.044 -11.477 518 2HD2 ASN 67 1HD2 ASN 67 -4.360 -10.990 -12.681 519 H ASN 67 H ASN 67 -0.618 -15.085 -10.528 520 HA ASN 67 HA ASN 67 -0.806 -12.824 -10.774 521 1HB CYS 68 2HB CYS 68 -1.037 -13.865 -5.755 522 2HB CYS 68 1HB CYS 68 -0.389 -12.684 -4.623 523 H CYS 68 H CYS 68 0.271 -13.654 -8.259 524 HA CYS 68 HA CYS 68 -0.118 -11.204 -6.776 525 1HA GLY 69 2HA GLY 69 3.904 -13.201 -6.068 526 2HA GLY 69 1HA GLY 69 3.697 -14.769 -6.838 527 H GLY 69 H GLY 69 1.325 -14.455 -6.726 528 1HB PHE 70 2HB PHE 70 5.301 -18.334 -4.280 529 2HB PHE 70 1HB PHE 70 4.370 -18.775 -2.853 530 H PHE 70 H PHE 70 4.271 -16.384 -5.556 531 HA PHE 70 HA PHE 70 3.204 -16.640 -2.910 532 HD1 PHE 70 HD1 PHE 70 1.843 -18.974 -3.103 533 HD2 PHE 70 HD2 PHE 70 4.517 -18.835 -6.410 534 HE1 PHE 70 HE1 PHE 70 0.115 -19.980 -4.537 535 HE2 PHE 70 HE2 PHE 70 2.794 -19.840 -7.850 536 HZ PHE 70 HZ PHE 70 0.590 -20.414 -6.915 537 1HA GLY 71 1HA GLY 71 6.095 -13.648 -1.149 538 2HA GLY 71 2HA GLY 71 6.922 -15.199 -1.073 539 H GLY 71 H GLY 71 4.028 -14.999 -1.637 540 1HB LYS 72 2HB LYS 72 7.453 -15.829 2.752 541 2HB LYS 72 1HB LYS 72 6.377 -14.885 3.777 542 1HG LYS 72 2HG LYS 72 7.463 -16.332 5.248 543 2HG LYS 72 1HG LYS 72 5.889 -17.086 4.981 544 1HD LYS 72 2HD LYS 72 6.889 -18.581 3.320 545 2HD LYS 72 1HD LYS 72 8.461 -17.826 3.587 546 1HE LYS 72 2HE LYS 72 8.059 -18.475 6.069 547 2HE LYS 72 1HE LYS 72 6.883 -19.605 5.399 548 H LYS 72 H LYS 72 5.952 -16.772 0.523 549 HA LYS 72 HA LYS 72 5.218 -17.339 2.613 550 1HZ LYS 72 1HZ LYS 72 8.879 -20.228 3.864 551 2HZ LYS 72 3HZ LYS 72 9.804 -19.583 5.126 552 3HZ LYS 72 2HZ LYS 72 8.760 -20.882 5.419 553 H THR 73 H THR 73 4.526 -15.938 4.849 554 HA THR 73 HA THR 73 2.136 -14.451 3.969 555 HB THR 73 HB THR 73 1.154 -15.214 6.201 556 HG1 THR 73 HG1 THR 73 2.394 -17.486 6.469 557 1HG2 THR 73 1HG2 THR 73 0.749 -16.176 3.820 558 2HG2 THR 73 3HG2 THR 73 1.692 -17.549 4.401 559 3HG2 THR 73 2HG2 THR 73 0.199 -17.092 5.222 560 1HA GLY 74 2HA GLY 74 3.958 -11.469 6.640 561 2HA GLY 74 1HA GLY 74 2.253 -11.042 6.725 562 H GLY 74 H GLY 74 2.212 -12.363 4.461 563 1HG1 ILE 75 1HG1 ILE 75 1.961 -5.542 5.275 564 2HG1 ILE 75 2HG1 ILE 75 1.737 -6.664 6.613 565 H ILE 75 H ILE 75 3.379 -8.855 6.762 566 HA ILE 75 HA ILE 75 2.884 -7.522 4.355 567 HB ILE 75 HB ILE 75 4.188 -6.760 6.921 568 1HG2 ILE 75 3HG2 ILE 75 4.465 -5.247 4.344 569 2HG2 ILE 75 2HG2 ILE 75 4.516 -4.436 5.910 570 3HG2 ILE 75 1HG2 ILE 75 5.713 -5.670 5.515 571 1HD1 ILE 75 1HD1 ILE 75 3.160 -4.795 7.870 572 2HD1 ILE 75 3HD1 ILE 75 2.399 -3.792 6.635 573 3HD1 ILE 75 2HD1 ILE 75 1.402 -4.743 7.737 574 1HG1 ILE 76 1HG1 ILE 76 5.120 -9.974 1.918 575 2HG1 ILE 76 2HG1 ILE 76 3.997 -9.623 0.609 576 H ILE 76 H ILE 76 4.003 -7.478 2.539 577 HA ILE 76 HA ILE 76 6.786 -8.336 2.527 578 HB ILE 76 HB ILE 76 4.985 -7.653 0.202 579 1HG2 ILE 76 1HG2 ILE 76 7.753 -8.791 0.395 580 2HG2 ILE 76 3HG2 ILE 76 6.734 -9.074 -1.016 581 3HG2 ILE 76 2HG2 ILE 76 7.179 -7.428 -0.566 582 1HD1 ILE 76 3HD1 ILE 76 6.739 -10.769 0.187 583 2HD1 ILE 76 2HD1 ILE 76 5.276 -11.739 0.356 584 3HD1 ILE 76 1HD1 ILE 76 5.439 -10.618 -0.995 585 1HB ASP 77 2HB ASP 77 6.909 -4.056 4.283 586 2HB ASP 77 1HB ASP 77 8.627 -4.006 4.660 587 H ASP 77 H ASP 77 7.747 -6.507 3.497 588 HA ASP 77 HA ASP 77 7.785 -4.104 1.793 589 1HB TYR 78 2HB TYR 78 10.960 -4.493 -1.052 590 2HB TYR 78 1HB TYR 78 12.696 -4.298 -0.831 591 H TYR 78 H TYR 78 9.566 -4.176 0.577 592 HA TYR 78 HA TYR 78 11.997 -5.407 1.554 593 HD1 TYR 78 HD1 TYR 78 10.016 -6.863 -0.396 594 HD2 TYR 78 HD2 TYR 78 14.086 -6.073 -1.348 595 HE1 TYR 78 HE1 TYR 78 10.345 -9.239 -0.933 596 HE2 TYR 78 HE2 TYR 78 14.427 -8.448 -1.889 597 HH TYR 78 HH TYR 78 13.507 -10.559 -1.573 598 1HA GLY 79 2HA GLY 79 13.205 -1.336 2.835 599 2HA GLY 79 1HA GLY 79 11.611 -0.725 3.272 600 H GLY 79 H GLY 79 10.656 -2.551 2.188 601 1HG1 ILE 80 1HG1 ILE 80 11.722 2.940 2.975 602 2HG1 ILE 80 2HG1 ILE 80 12.671 4.390 3.283 603 H ILE 80 H ILE 80 12.525 1.367 2.641 604 HA ILE 80 HA ILE 80 11.562 2.338 0.270 605 HB ILE 80 HB ILE 80 13.997 3.429 1.679 606 1HG2 ILE 80 1HG2 ILE 80 11.972 4.659 -0.179 607 2HG2 ILE 80 3HG2 ILE 80 13.084 5.607 0.811 608 3HG2 ILE 80 2HG2 ILE 80 13.713 4.508 -0.416 609 1HD1 ILE 80 3HD1 ILE 80 10.484 4.413 1.251 610 2HD1 ILE 80 2HD1 ILE 80 10.133 4.603 2.969 611 3HD1 ILE 80 1HD1 ILE 80 11.188 5.756 2.152 612 1HB ARG 81 2HB ARG 81 12.876 2.594 -4.425 613 2HB ARG 81 1HB ARG 81 13.890 1.186 -4.715 614 1HG ARG 81 2HG ARG 81 11.767 0.945 -2.662 615 2HG ARG 81 1HG ARG 81 11.274 1.001 -4.355 616 1HD ARG 81 2HD ARG 81 11.552 -1.284 -3.848 617 2HD ARG 81 1HD ARG 81 12.982 -0.821 -4.771 618 1HH1 ARG 81 2HH1 ARG 81 14.331 -1.789 -4.950 619 2HH1 ARG 81 1HH1 ARG 81 15.731 -2.574 -4.300 620 1HH2 ARG 81 1HH2 ARG 81 14.859 -2.005 -0.963 621 2HH2 ARG 81 2HH2 ARG 81 16.031 -2.698 -2.033 622 H ARG 81 H ARG 81 12.433 2.846 -1.747 623 HA ARG 81 HA ARG 81 14.729 1.192 -2.514 624 HE ARG 81 HE ARG 81 13.019 -0.974 -1.829 625 1HB LEU 82 2HB LEU 82 17.516 3.818 -2.526 626 2HB LEU 82 1HB LEU 82 17.639 5.199 -3.594 627 H LEU 82 H LEU 82 14.736 3.934 -1.216 628 HA LEU 82 HA LEU 82 16.001 5.820 -1.294 629 HG LEU 82 HG LEU 82 19.493 5.167 -2.027 630 1HD1 LEU 82 3HD1 LEU 82 17.505 7.339 -2.044 631 2HD1 LEU 82 2HD1 LEU 82 18.718 7.418 -0.766 632 3HD1 LEU 82 1HD1 LEU 82 19.219 7.361 -2.456 633 1HD2 LEU 82 1HD2 LEU 82 17.387 4.544 -0.136 634 2HD2 LEU 82 3HD2 LEU 82 19.129 4.301 -0.009 635 3HD2 LEU 82 2HD2 LEU 82 18.422 5.857 0.427 636 1HB ASN 83 2HB ASN 83 15.283 6.216 -5.924 637 2HB ASN 83 1HB ASN 83 13.741 5.858 -6.699 638 1HD2 ASN 83 2HD2 ASN 83 12.510 7.635 -7.539 639 2HD2 ASN 83 1HD2 ASN 83 13.321 9.057 -8.087 640 H ASN 83 H ASN 83 13.722 5.195 -3.341 641 HA ASN 83 HA ASN 83 13.636 7.791 -4.462 642 1HB ARG 84 2HB ARG 84 8.991 9.155 -4.895 643 2HB ARG 84 1HB ARG 84 8.020 7.971 -4.033 644 1HG ARG 84 2HG ARG 84 10.678 9.045 -3.108 645 2HG ARG 84 1HG ARG 84 9.099 9.585 -2.534 646 1HD ARG 84 2HD ARG 84 8.953 7.888 -1.106 647 2HD ARG 84 1HD ARG 84 9.325 6.717 -2.370 648 1HH1 ARG 84 2HH1 ARG 84 9.764 9.220 -0.042 649 2HH1 ARG 84 1HH1 ARG 84 11.026 9.536 1.101 650 1HH2 ARG 84 1HH2 ARG 84 13.208 7.140 -0.208 651 2HH2 ARG 84 2HH2 ARG 84 12.983 8.354 1.006 652 H ARG 84 H ARG 84 11.561 8.298 -4.661 653 HA ARG 84 HA ARG 84 9.551 6.239 -4.447 654 HE ARG 84 HE ARG 84 11.540 6.730 -1.710 655 1HB SER 85 2HB SER 85 11.528 7.799 -9.312 656 2HB SER 85 1HB SER 85 12.031 6.114 -9.182 657 H SER 85 H SER 85 11.133 6.302 -6.897 658 HA SER 85 HA SER 85 9.211 7.180 -8.915 659 HG SER 85 HG SER 85 10.923 7.455 -11.296 660 1HB GLU 86 2HB GLU 86 8.249 2.007 -6.315 661 2HB GLU 86 1HB GLU 86 9.375 1.001 -7.217 662 1HG GLU 86 2HG GLU 86 10.088 3.557 -5.795 663 2HG GLU 86 1HG GLU 86 10.357 1.930 -5.171 664 H GLU 86 H GLU 86 9.600 4.519 -7.081 665 HA GLU 86 HA GLU 86 9.438 2.425 -8.999 666 1HB ARG 87 2HB ARG 87 5.650 0.071 -10.944 667 2HB ARG 87 1HB ARG 87 4.395 1.272 -11.203 668 1HG ARG 87 2HG ARG 87 6.431 2.894 -11.482 669 2HG ARG 87 1HG ARG 87 7.301 1.399 -11.830 670 1HD ARG 87 2HD ARG 87 6.413 1.267 -13.866 671 2HD ARG 87 1HD ARG 87 4.782 1.486 -13.234 672 1HH1 ARG 87 2HH1 ARG 87 5.804 1.549 -15.660 673 2HH1 ARG 87 1HH1 ARG 87 5.776 2.690 -16.962 674 1HH2 ARG 87 2HH2 ARG 87 5.689 5.499 -14.882 675 2HH2 ARG 87 1HH2 ARG 87 5.711 4.938 -16.520 676 H ARG 87 H ARG 87 7.549 0.962 -9.195 677 HA ARG 87 HA ARG 87 5.053 2.516 -9.295 678 HE ARG 87 HE ARG 87 5.725 3.987 -13.175 679 1HB TRP 88 2HB TRP 88 4.025 1.221 -5.228 680 2HB TRP 88 1HB TRP 88 3.062 -0.159 -4.726 681 H TRP 88 H TRP 88 3.627 1.951 -7.816 682 HA TRP 88 HA TRP 88 3.190 -0.873 -7.219 683 HD1 TRP 88 HD1 TRP 88 6.485 0.871 -4.800 684 HE1 TRP 88 HE1 TRP 88 8.103 -1.129 -4.736 685 HE3 TRP 88 HE3 TRP 88 3.203 -2.849 -6.007 686 HZ2 TRP 88 HZ2 TRP 88 7.989 -3.927 -5.133 687 HZ3 TRP 88 HZ3 TRP 88 4.036 -5.160 -6.144 688 HH2 TRP 88 HH2 TRP 88 6.381 -5.685 -5.718 689 1HB ASP 89 2HB ASP 89 -0.481 -1.220 -4.418 690 2HB ASP 89 1HB ASP 89 -1.914 -0.207 -4.261 691 H ASP 89 H ASP 89 1.597 -0.084 -4.868 692 HA ASP 89 HA ASP 89 -0.708 1.116 -6.254 693 H ALA 90 H ALA 90 -2.117 1.086 -3.586 694 HA ALA 90 HA ALA 90 -0.596 2.843 -1.905 695 1HB ALA 90 1HB ALA 90 -1.098 4.524 -3.462 696 2HB ALA 90 2HB ALA 90 -2.258 4.745 -2.151 697 3HB ALA 90 3HB ALA 90 -2.762 3.968 -3.652 698 1HB TYR 91 2HB TYR 91 -1.198 1.517 2.115 699 2HB TYR 91 1HB TYR 91 -2.670 1.250 3.042 700 H TYR 91 H TYR 91 -1.207 2.478 0.104 701 HA TYR 91 HA TYR 91 -3.739 1.140 0.607 702 HD1 TYR 91 HD1 TYR 91 -4.173 -0.722 1.769 703 HD2 TYR 91 HD2 TYR 91 0.066 -0.391 1.886 704 HE1 TYR 91 HE1 TYR 91 -3.982 -3.142 1.389 705 HE2 TYR 91 HE2 TYR 91 0.272 -2.811 1.502 706 HH TYR 91 HH TYR 91 -1.890 -4.948 2.029 707 1HB CYS 92 2HB CYS 92 -6.840 3.941 -0.177 708 2HB CYS 92 1HB CYS 92 -7.613 4.842 1.123 709 H CYS 92 H CYS 92 -4.922 3.112 0.010 710 HA CYS 92 HA CYS 92 -4.885 5.558 1.170 711 1HB TYR 93 2HB TYR 93 -4.726 4.787 5.417 712 2HB TYR 93 1HB TYR 93 -4.703 6.537 5.626 713 H TYR 93 H TYR 93 -6.098 6.552 2.884 714 HA TYR 93 HA TYR 93 -7.196 4.948 4.991 715 HD1 TYR 93 HD1 TYR 93 -6.820 7.279 7.275 716 HD2 TYR 93 HD2 TYR 93 -4.622 3.640 7.413 717 HE1 TYR 93 HE1 TYR 93 -7.439 7.008 9.639 718 HE2 TYR 93 HE2 TYR 93 -5.234 3.354 9.777 719 HH TYR 93 HH TYR 93 -6.594 5.837 11.638 720 1HB ASN 94 2HB ASN 94 -9.199 8.943 3.900 721 2HB ASN 94 1HB ASN 94 -10.590 7.901 4.183 722 1HD2 ASN 94 1HD2 ASN 94 -9.342 11.091 4.320 723 2HD2 ASN 94 2HD2 ASN 94 -10.797 11.872 4.831 724 H ASN 94 H ASN 94 -8.874 6.063 5.680 725 HA ASN 94 HA ASN 94 -8.639 8.878 6.280 726 1HB PRO 95 2HB PRO 95 -11.632 9.607 10.751 727 2HB PRO 95 1HB PRO 95 -10.214 8.594 11.035 728 1HG PRO 95 2HG PRO 95 -10.524 10.972 9.252 729 2HG PRO 95 1HG PRO 95 -9.156 10.513 10.282 730 1HD PRO 95 2HD PRO 95 -9.119 10.125 7.625 731 2HD PRO 95 1HD PRO 95 -8.355 8.979 8.745 732 HA PRO 95 HA PRO 95 -11.172 7.170 9.537 733 1HB HIS 96 2HB HIS 96 -13.281 11.477 6.809 734 2HB HIS 96 1HB HIS 96 -14.875 11.262 6.093 735 H HIS 96 H HIS 96 -12.037 9.504 7.167 736 HA HIS 96 HA HIS 96 -14.881 9.239 7.897 737 HD1 HIS 96 HD1 HIS 96 -16.577 12.638 7.215 738 HD2 HIS 96 HD2 HIS 96 -13.621 11.401 9.861 739 HE1 HIS 96 HE1 HIS 96 -17.207 13.632 9.438 740 HE2 HIS 96 HE2 HIS 96 -15.452 12.797 11.042 741 H ALA 97 H ALA 97 -12.842 7.659 6.115 742 HA ALA 97 HA ALA 97 -14.141 7.754 3.530 743 1HB ALA 97 2HB ALA 97 -11.863 6.139 4.640 744 2HB ALA 97 3HB ALA 97 -11.816 7.402 3.411 745 3HB ALA 97 1HB ALA 97 -12.541 5.837 3.041 746 1HB LYS 98 2HB LYS 98 -17.789 6.812 6.407 747 2HB LYS 98 1HB LYS 98 -18.930 5.695 5.669 748 1HG LYS 98 2HG LYS 98 -19.199 4.852 7.706 749 2HG LYS 98 1HG LYS 98 -17.610 4.116 7.492 750 1HD LYS 98 2HD LYS 98 -17.367 5.225 9.508 751 2HD LYS 98 1HD LYS 98 -16.721 6.396 8.358 752 1HE LYS 98 2HE LYS 98 -18.220 7.436 10.008 753 2HE LYS 98 1HE LYS 98 -18.817 7.604 8.357 754 H LYS 98 H LYS 98 -16.034 7.146 5.368 755 HA LYS 98 HA LYS 98 -16.403 4.386 5.853 756 1HZ LYS 98 3HZ LYS 98 -20.289 5.697 8.775 757 2HZ LYS 98 2HZ LYS 98 -19.766 5.652 10.383 758 3HZ LYS 98 1HZ LYS 98 -20.613 6.998 9.807 No H/Q in entry = 758 Start of MODEL 8 1 1HA GLY 1 2HA GLY 1 -10.542 1.620 7.857 2 2HA GLY 1 1HA GLY 1 -9.531 2.813 8.657 3 H1 GLY 1 1H GLY 1 -11.770 3.432 6.809 4 H2 GLY 1 3H GLY 1 -11.831 3.540 8.496 5 H3 GLY 1 2H GLY 1 -10.813 4.567 7.619 6 H VAL 2 H VAL 2 -7.843 1.507 7.529 7 HA VAL 2 HA VAL 2 -7.028 2.900 5.149 8 HB VAL 2 HB VAL 2 -5.235 2.458 6.568 9 1HG1 VAL 2 2HG1 VAL 2 -6.765 0.175 7.310 10 2HG1 VAL 2 1HG1 VAL 2 -5.131 -0.349 6.901 11 3HG1 VAL 2 3HG1 VAL 2 -5.377 0.891 8.132 12 1HG2 VAL 2 2HG2 VAL 2 -5.165 1.494 4.044 13 2HG2 VAL 2 1HG2 VAL 2 -3.771 1.536 5.125 14 3HG2 VAL 2 3HG2 VAL 2 -4.710 0.053 4.956 15 1HB TYR 3 2HB TYR 3 -9.345 0.258 0.715 16 2HB TYR 3 1HB TYR 3 -9.922 0.395 2.369 17 H TYR 3 H TYR 3 -7.169 2.246 3.098 18 HA TYR 3 HA TYR 3 -7.776 -0.565 2.542 19 HD1 TYR 3 HD1 TYR 3 -8.681 2.856 3.322 20 HD2 TYR 3 HD2 TYR 3 -10.323 1.958 -0.497 21 HE1 TYR 3 HE1 TYR 3 -9.138 5.247 2.964 22 HE2 TYR 3 HE2 TYR 3 -10.782 4.345 -0.867 23 HH TYR 3 HH TYR 3 -9.507 6.676 0.354 24 1HB HIS 4 2HB HIS 4 -4.326 -1.769 -1.315 25 2HB HIS 4 1HB HIS 4 -5.693 -2.430 -0.428 26 H HIS 4 H HIS 4 -7.489 -1.099 0.214 27 HA HIS 4 HA HIS 4 -5.094 0.262 -0.778 28 HD1 HIS 4 HD1 HIS 4 -7.949 -2.687 -2.037 29 HD2 HIS 4 HD2 HIS 4 -4.224 -2.613 -3.879 30 HE1 HIS 4 HE1 HIS 4 -8.305 -3.695 -4.314 31 HE2 HIS 4 HE2 HIS 4 -6.036 -3.647 -5.409 32 1HB ARG 5 2HB ARG 5 -6.214 3.548 -3.490 33 2HB ARG 5 1HB ARG 5 -7.248 3.432 -4.906 34 1HG ARG 5 2HG ARG 5 -8.130 2.202 -2.336 35 2HG ARG 5 1HG ARG 5 -8.275 3.944 -2.576 36 1HD ARG 5 2HD ARG 5 -9.256 2.834 -4.924 37 2HD ARG 5 1HD ARG 5 -9.879 1.787 -3.651 38 1HH1 ARG 5 2HH1 ARG 5 -11.439 1.457 -3.211 39 2HH1 ARG 5 1HH1 ARG 5 -13.021 1.953 -2.708 40 1HH2 ARG 5 2HH2 ARG 5 -12.357 5.373 -2.998 41 2HH2 ARG 5 1HH2 ARG 5 -13.543 4.179 -2.587 42 H ARG 5 H ARG 5 -4.993 1.206 -2.753 43 HA ARG 5 HA ARG 5 -7.263 0.933 -4.579 44 HE ARG 5 HE ARG 5 -10.276 4.710 -3.654 45 1HB GLU 6 2HB GLU 6 -4.515 0.349 -9.477 46 2HB GLU 6 1HB GLU 6 -5.542 -0.455 -8.299 47 1HG GLU 6 2HG GLU 6 -6.414 1.905 -9.945 48 2HG GLU 6 1HG GLU 6 -6.686 0.224 -10.406 49 H GLU 6 H GLU 6 -6.780 1.322 -6.747 50 HA GLU 6 HA GLU 6 -3.925 1.249 -7.364 51 H ALA 7 H ALA 7 -3.868 2.195 -9.914 52 HA ALA 7 HA ALA 7 -4.022 5.050 -9.456 53 1HB ALA 7 1HB ALA 7 -2.627 5.306 -11.316 54 2HB ALA 7 3HB ALA 7 -2.078 3.808 -10.562 55 3HB ALA 7 2HB ALA 7 -3.100 3.749 -11.998 56 1HB ARG 8 2HB ARG 8 -5.677 8.101 -12.406 57 2HB ARG 8 1HB ARG 8 -7.158 7.985 -13.348 58 1HG ARG 8 2HG ARG 8 -8.211 9.120 -11.772 59 2HG ARG 8 1HG ARG 8 -7.914 7.795 -10.646 60 1HD ARG 8 2HD ARG 8 -6.941 9.534 -9.517 61 2HD ARG 8 1HD ARG 8 -5.559 8.924 -10.426 62 1HH1 ARG 8 2HH1 ARG 8 -4.106 9.701 -10.647 63 2HH1 ARG 8 1HH1 ARG 8 -3.162 11.017 -11.265 64 1HH2 ARG 8 1HH2 ARG 8 -5.927 12.953 -12.176 65 2HH2 ARG 8 2HH2 ARG 8 -4.198 12.865 -12.133 66 H ARG 8 H ARG 8 -4.888 6.498 -11.149 67 HA ARG 8 HA ARG 8 -7.596 5.952 -11.667 68 HE ARG 8 HE ARG 8 -7.160 11.215 -11.360 69 1HB SER 9 2HB SER 9 -3.526 3.951 -16.241 70 2HB SER 9 1HB SER 9 -4.273 5.431 -16.846 71 H SER 9 H SER 9 -4.723 5.285 -13.465 72 HA SER 9 HA SER 9 -6.202 4.767 -15.922 73 HG SER 9 HG SER 9 -2.470 5.112 -14.858 74 1HA GLY 10 2HA GLY 10 -4.086 0.514 -14.713 75 2HA GLY 10 1HA GLY 10 -5.674 0.621 -13.966 76 H GLY 10 H GLY 10 -4.113 3.018 -13.647 77 1HB LYS 11 2HB LYS 11 -5.134 -2.132 -10.672 78 2HB LYS 11 1HB LYS 11 -3.813 -3.192 -11.148 79 1HG LYS 11 2HG LYS 11 -2.795 -2.310 -8.858 80 2HG LYS 11 1HG LYS 11 -4.508 -2.100 -8.486 81 1HD LYS 11 2HD LYS 11 -4.293 -4.619 -9.693 82 2HD LYS 11 1HD LYS 11 -2.939 -4.511 -8.567 83 1HE LYS 11 2HE LYS 11 -4.753 -5.426 -7.351 84 2HE LYS 11 1HE LYS 11 -4.590 -3.750 -6.826 85 H LYS 11 H LYS 11 -4.141 -1.306 -13.020 86 HA LYS 11 HA LYS 11 -3.367 -0.314 -10.370 87 1HZ LYS 11 1HZ LYS 11 -6.464 -4.475 -8.986 88 2HZ LYS 11 3HZ LYS 11 -6.913 -4.642 -7.363 89 3HZ LYS 11 2HZ LYS 11 -6.486 -3.123 -7.970 90 1HB TYR 12 2HB TYR 12 -0.360 -3.555 -11.166 91 2HB TYR 12 1HB TYR 12 1.361 -3.258 -11.386 92 H TYR 12 H TYR 12 -1.473 -1.173 -9.329 93 HA TYR 12 HA TYR 12 0.747 -1.659 -9.226 94 HD1 TYR 12 HD1 TYR 12 0.491 -2.762 -7.999 95 HD2 TYR 12 HD2 TYR 12 1.285 -5.819 -10.850 96 HE1 TYR 12 HE1 TYR 12 0.995 -4.328 -6.170 97 HE2 TYR 12 HE2 TYR 12 1.790 -7.393 -9.030 98 HH TYR 12 HH TYR 12 2.622 -7.111 -6.530 99 1HB LYS 13 2HB LYS 13 1.392 2.435 -13.582 100 2HB LYS 13 1HB LYS 13 1.395 0.678 -13.655 101 1HG LYS 13 2HG LYS 13 -0.799 1.170 -12.113 102 2HG LYS 13 1HG LYS 13 -0.813 2.541 -13.224 103 1HD LYS 13 2HD LYS 13 -0.409 -0.242 -14.253 104 2HD LYS 13 1HD LYS 13 -2.033 0.354 -13.895 105 1HE LYS 13 2HE LYS 13 -0.050 1.598 -15.795 106 2HE LYS 13 1HE LYS 13 -1.496 0.695 -16.240 107 H LYS 13 H LYS 13 0.487 0.759 -10.103 108 HA LYS 13 HA LYS 13 2.724 1.190 -11.785 109 1HZ LYS 13 2HZ LYS 13 -2.012 2.891 -14.457 110 2HZ LYS 13 1HZ LYS 13 -1.363 3.376 -15.942 111 3HZ LYS 13 3HZ LYS 13 -2.788 2.463 -15.898 112 1HB LEU 14 2HB LEU 14 0.240 2.956 -7.614 113 2HB LEU 14 1HB LEU 14 0.723 4.521 -6.988 114 H LEU 14 H LEU 14 1.477 2.009 -9.227 115 HA LEU 14 HA LEU 14 1.147 4.894 -9.640 116 HG LEU 14 HG LEU 14 -1.451 3.955 -8.999 117 1HD1 LEU 14 3HD1 LEU 14 -1.364 4.222 -6.144 118 2HD1 LEU 14 2HD1 LEU 14 -2.344 5.512 -6.846 119 3HD1 LEU 14 1HD1 LEU 14 -2.728 3.825 -7.190 120 1HD2 LEU 14 1HD2 LEU 14 0.087 6.107 -9.223 121 2HD2 LEU 14 3HD2 LEU 14 -1.656 6.168 -9.486 122 3HD2 LEU 14 2HD2 LEU 14 -0.978 6.686 -7.942 123 H THR 15 H THR 15 2.352 6.406 -8.476 124 HA THR 15 HA THR 15 4.949 5.399 -7.526 125 HB THR 15 HB THR 15 5.895 7.530 -8.035 126 HG1 THR 15 HG1 THR 15 4.706 9.321 -8.358 127 1HG2 THR 15 2HG2 THR 15 4.102 6.391 -10.138 128 2HG2 THR 15 1HG2 THR 15 5.008 7.866 -10.475 129 3HG2 THR 15 3HG2 THR 15 5.863 6.386 -10.041 130 1HB TYR 16 2HB TYR 16 6.742 7.623 -3.715 131 2HB TYR 16 1HB TYR 16 6.540 9.264 -4.318 132 H TYR 16 H TYR 16 5.687 7.796 -6.172 133 HA TYR 16 HA TYR 16 4.288 7.346 -3.681 134 HD1 TYR 16 HD1 TYR 16 5.107 7.224 -1.529 135 HD2 TYR 16 HD2 TYR 16 6.892 10.893 -2.733 136 HE1 TYR 16 HE1 TYR 16 4.961 8.044 0.781 137 HE2 TYR 16 HE2 TYR 16 6.751 11.726 -0.422 138 HH TYR 16 HH TYR 16 4.912 10.816 1.751 139 H ALA 17 H ALA 17 5.207 10.353 -5.348 140 HA ALA 17 HA ALA 17 3.411 12.027 -4.065 141 1HB ALA 17 1HB ALA 17 5.311 12.742 -5.502 142 2HB ALA 17 3HB ALA 17 4.343 12.320 -6.915 143 3HB ALA 17 2HB ALA 17 3.807 13.603 -5.829 144 1HB GLU 18 2HB GLU 18 1.848 8.332 -8.099 145 2HB GLU 18 1HB GLU 18 0.203 8.587 -8.666 146 1HG GLU 18 2HG GLU 18 0.849 10.337 -10.088 147 2HG GLU 18 1HG GLU 18 2.419 10.503 -9.304 148 H GLU 18 H GLU 18 2.923 9.859 -6.761 149 HA GLU 18 HA GLU 18 0.393 10.912 -7.560 150 H ALA 19 H ALA 19 1.373 8.033 -5.731 151 HA ALA 19 HA ALA 19 -1.107 7.017 -5.084 152 1HB ALA 19 2HB ALA 19 0.329 5.541 -4.234 153 2HB ALA 19 3HB ALA 19 0.420 6.581 -2.812 154 3HB ALA 19 1HB ALA 19 1.605 6.754 -4.107 155 1HB LYS 20 2HB LYS 20 1.352 10.977 -1.833 156 2HB LYS 20 1HB LYS 20 0.486 12.238 -2.696 157 1HG LYS 20 2HG LYS 20 -0.252 13.215 -0.806 158 2HG LYS 20 1HG LYS 20 -0.458 11.678 0.037 159 1HD LYS 20 2HD LYS 20 2.010 11.537 0.271 160 2HD LYS 20 1HD LYS 20 2.131 13.147 -0.441 161 1HE LYS 20 2HE LYS 20 0.828 12.371 2.157 162 2HE LYS 20 1HE LYS 20 2.236 13.405 1.923 163 H LYS 20 H LYS 20 0.652 9.675 -3.607 164 HA LYS 20 HA LYS 20 -0.971 9.988 -1.338 165 1HZ LYS 20 1HZ LYS 20 0.491 14.765 0.515 166 2HZ LYS 20 3HZ LYS 20 -0.598 14.018 1.574 167 3HZ LYS 20 2HZ LYS 20 0.651 14.983 2.184 168 H ALA 21 H ALA 21 -0.911 11.756 -4.423 169 HA ALA 21 HA ALA 21 -3.142 13.383 -3.906 170 1HB ALA 21 2HB ALA 21 -3.179 13.814 -6.300 171 2HB ALA 21 3HB ALA 21 -2.122 12.430 -6.582 172 3HB ALA 21 1HB ALA 21 -1.522 13.832 -5.695 173 H VAL 22 H VAL 22 -2.880 10.231 -5.509 174 HA VAL 22 HA VAL 22 -5.497 9.929 -6.370 175 HB VAL 22 HB VAL 22 -3.278 8.098 -5.696 176 1HG1 VAL 22 3HG1 VAL 22 -6.128 7.135 -5.842 177 2HG1 VAL 22 2HG1 VAL 22 -4.702 6.099 -5.913 178 3HG1 VAL 22 1HG1 VAL 22 -5.046 7.029 -4.453 179 1HG2 VAL 22 3HG2 VAL 22 -3.607 8.959 -7.948 180 2HG2 VAL 22 2HG2 VAL 22 -3.803 7.206 -7.912 181 3HG2 VAL 22 1HG2 VAL 22 -5.222 8.251 -7.996 182 1HB CYS 23 2HB CYS 23 -3.689 9.123 -1.149 183 2HB CYS 23 1HB CYS 23 -4.945 9.222 0.080 184 H CYS 23 H CYS 23 -4.049 9.343 -3.221 185 HA CYS 23 HA CYS 23 -6.352 8.190 -2.015 186 1HB GLU 24 2HB GLU 24 -4.427 13.367 -1.361 187 2HB GLU 24 1HB GLU 24 -5.672 14.547 -1.743 188 1HG GLU 24 2HG GLU 24 -6.143 14.788 0.662 189 2HG GLU 24 1HG GLU 24 -4.834 13.658 1.008 190 H GLU 24 H GLU 24 -4.830 11.375 -1.601 191 HA GLU 24 HA GLU 24 -6.842 12.553 -0.079 192 1HB PHE 25 2HB PHE 25 -7.090 12.455 -5.557 193 2HB PHE 25 1HB PHE 25 -8.212 11.117 -5.675 194 H PHE 25 H PHE 25 -7.019 11.512 -3.249 195 HA PHE 25 HA PHE 25 -8.949 13.515 -4.099 196 HD1 PHE 25 HD1 PHE 25 -7.829 14.721 -6.351 197 HD2 PHE 25 HD2 PHE 25 -10.042 11.172 -7.143 198 HE1 PHE 25 HE1 PHE 25 -9.018 15.873 -8.171 199 HE2 PHE 25 HE2 PHE 25 -11.234 12.318 -8.966 200 HZ PHE 25 HZ PHE 25 -10.722 14.672 -9.482 201 1HB GLU 26 2HB GLU 26 -9.448 7.785 -3.027 202 2HB GLU 26 1HB GLU 26 -11.096 7.303 -3.391 203 1HG GLU 26 2HG GLU 26 -10.732 8.030 -5.738 204 2HG GLU 26 1HG GLU 26 -9.042 8.327 -5.332 205 H GLU 26 H GLU 26 -8.778 10.009 -3.674 206 HA GLU 26 HA GLU 26 -11.590 9.645 -4.063 207 1HA GLY 27 1HA GLY 27 -12.254 10.457 0.234 208 2HA GLY 27 2HA GLY 27 -11.124 11.798 0.378 209 H GLY 27 H GLY 27 -10.177 11.175 -1.665 210 1HA GLY 28 2HA GLY 28 -8.259 8.553 1.894 211 2HA GLY 28 1HA GLY 28 -8.515 9.778 3.132 212 H GLY 28 H GLY 28 -8.790 11.088 0.714 213 1HB HIS 29 2HB HIS 29 -3.236 10.358 4.210 214 2HB HIS 29 1HB HIS 29 -3.789 11.697 3.208 215 H HIS 29 H HIS 29 -6.125 8.661 3.188 216 HA HIS 29 HA HIS 29 -4.272 10.240 1.582 217 HD1 HIS 29 HD1 HIS 29 -4.825 9.519 6.058 218 HD2 HIS 29 HD2 HIS 29 -6.330 12.698 3.844 219 HE1 HIS 29 HE1 HIS 29 -6.824 10.347 7.342 220 HE2 HIS 29 HE2 HIS 29 -7.774 12.208 5.933 221 1HB LEU 30 2HB LEU 30 0.238 8.985 2.195 222 2HB LEU 30 1HB LEU 30 0.760 7.315 2.169 223 H LEU 30 H LEU 30 -1.968 9.559 2.017 224 HA LEU 30 HA LEU 30 -1.736 6.771 1.744 225 HG LEU 30 HG LEU 30 -0.514 8.859 -0.086 226 1HD1 LEU 30 1HD1 LEU 30 2.019 8.985 0.573 227 2HD1 LEU 30 3HD1 LEU 30 2.089 7.418 -0.233 228 3HD1 LEU 30 2HD1 LEU 30 1.533 8.840 -1.117 229 1HD2 LEU 30 1HD2 LEU 30 -0.249 5.952 0.371 230 2HD2 LEU 30 3HD2 LEU 30 -1.430 6.851 -0.580 231 3HD2 LEU 30 2HD2 LEU 30 0.180 6.548 -1.233 232 H ALA 31 H ALA 31 -2.168 5.375 3.327 233 HA ALA 31 HA ALA 31 -2.179 5.920 6.060 234 1HB ALA 31 2HB ALA 31 -2.230 3.448 4.426 235 2HB ALA 31 1HB ALA 31 -1.872 3.292 6.147 236 3HB ALA 31 3HB ALA 31 -3.381 4.043 5.623 237 H THR 32 H THR 32 -0.803 3.924 7.327 238 HA THR 32 HA THR 32 2.028 4.474 6.757 239 HB THR 32 HB THR 32 2.472 5.365 8.766 240 HG1 THR 32 HG1 THR 32 0.703 4.368 10.501 241 1HG2 THR 32 2HG2 THR 32 0.464 6.627 7.994 242 2HG2 THR 32 1HG2 THR 32 -0.521 5.602 9.036 243 3HG2 THR 32 3HG2 THR 32 0.700 6.661 9.741 244 1HB TYR 33 2HB TYR 33 5.203 1.431 7.808 245 2HB TYR 33 1HB TYR 33 4.860 1.152 9.509 246 H TYR 33 H TYR 33 3.508 2.968 7.889 247 HA TYR 33 HA TYR 33 2.936 0.312 7.349 248 HD1 TYR 33 HD1 TYR 33 5.364 -0.564 6.262 249 HD2 TYR 33 HD2 TYR 33 5.226 -0.952 10.496 250 HE1 TYR 33 HE1 TYR 33 6.275 -2.840 6.077 251 HE2 TYR 33 HE2 TYR 33 6.137 -3.229 10.323 252 HH TYR 33 HH TYR 33 6.987 -4.775 8.965 253 1HB LYS 34 2HB LYS 34 2.453 2.613 12.394 254 2HB LYS 34 1HB LYS 34 0.879 2.171 13.033 255 1HG LYS 34 2HG LYS 34 1.776 0.862 14.707 256 2HG LYS 34 1HG LYS 34 3.301 0.629 13.849 257 1HD LYS 34 2HD LYS 34 4.106 2.718 14.444 258 2HD LYS 34 1HD LYS 34 2.492 3.365 14.745 259 1HE LYS 34 2HE LYS 34 2.355 1.742 16.685 260 2HE LYS 34 1HE LYS 34 4.083 1.470 16.454 261 H LYS 34 H LYS 34 2.978 1.923 10.516 262 HA LYS 34 HA LYS 34 2.190 -0.198 12.101 263 1HZ LYS 34 1HZ LYS 34 3.007 4.196 16.802 264 2HZ LYS 34 3HZ LYS 34 3.356 3.221 18.140 265 3HZ LYS 34 2HZ LYS 34 4.583 3.640 17.055 266 1HB GLN 35 2HB GLN 35 -1.644 2.458 8.577 267 2HB GLN 35 1HB GLN 35 -3.241 2.351 9.296 268 1HG GLN 35 2HG GLN 35 -2.337 3.689 11.227 269 2HG GLN 35 1HG GLN 35 -0.899 3.965 10.246 270 1HE2 GLN 35 1HE2 GLN 35 -3.509 5.459 11.243 271 2HE2 GLN 35 2HE2 GLN 35 -3.889 6.444 9.875 272 H GLN 35 H GLN 35 0.150 2.150 10.386 273 HA GLN 35 HA GLN 35 -2.329 1.176 11.228 274 1HB LEU 36 2HB LEU 36 0.906 -0.997 7.315 275 2HB LEU 36 1HB LEU 36 0.638 -2.724 7.200 276 H LEU 36 H LEU 36 -0.151 0.136 8.686 277 HA LEU 36 HA LEU 36 -1.920 -1.547 7.285 278 HG LEU 36 HG LEU 36 0.851 -1.837 4.983 279 1HD1 LEU 36 2HD1 LEU 36 -1.250 -3.369 5.816 280 2HD1 LEU 36 1HD1 LEU 36 -2.060 -2.084 4.921 281 3HD1 LEU 36 3HD1 LEU 36 -0.819 -3.059 4.134 282 1HD2 LEU 36 2HD2 LEU 36 -0.548 0.387 6.087 283 2HD2 LEU 36 1HD2 LEU 36 0.269 0.251 4.530 284 3HD2 LEU 36 3HD2 LEU 36 -1.429 -0.204 4.679 285 1HB GLU 37 2HB GLU 37 1.423 -3.459 11.637 286 2HB GLU 37 1HB GLU 37 0.090 -2.830 12.592 287 1HG GLU 37 2HG GLU 37 -0.402 -5.333 13.067 288 2HG GLU 37 1HG GLU 37 1.278 -5.562 12.580 289 H GLU 37 H GLU 37 0.109 -2.065 10.113 290 HA GLU 37 HA GLU 37 -0.214 -4.843 10.359 291 H ALA 38 H ALA 38 -1.911 -2.216 12.027 292 HA ALA 38 HA ALA 38 -3.799 -3.676 13.407 293 1HB ALA 38 1HB ALA 38 -3.454 -1.236 13.624 294 2HB ALA 38 2HB ALA 38 -5.154 -1.674 13.453 295 3HB ALA 38 3HB ALA 38 -4.270 -1.011 12.077 296 H ALA 39 H ALA 39 -3.622 -2.897 10.036 297 HA ALA 39 HA ALA 39 -6.321 -3.737 9.435 298 1HB ALA 39 1HB ALA 39 -4.040 -3.213 7.534 299 2HB ALA 39 2HB ALA 39 -5.140 -1.974 8.139 300 3HB ALA 39 3HB ALA 39 -5.758 -3.288 7.139 301 1HB ARG 40 2HB ARG 40 -1.418 -6.428 8.396 302 2HB ARG 40 1HB ARG 40 -1.534 -7.210 9.966 303 1HG ARG 40 2HG ARG 40 -2.171 -9.188 8.097 304 2HG ARG 40 1HG ARG 40 -0.793 -8.317 7.422 305 1HD ARG 40 2HD ARG 40 0.539 -8.751 9.323 306 2HD ARG 40 1HD ARG 40 -0.850 -9.289 10.266 307 1HH1 ARG 40 1HH1 ARG 40 0.175 -10.457 11.342 308 2HH1 ARG 40 2HH1 ARG 40 0.589 -12.115 11.618 309 1HH2 ARG 40 2HH2 ARG 40 0.292 -13.050 8.262 310 2HH2 ARG 40 1HH2 ARG 40 0.656 -13.589 9.867 311 H ARG 40 H ARG 40 -3.117 -5.102 9.454 312 HA ARG 40 HA ARG 40 -3.725 -7.419 7.906 313 HE ARG 40 HE ARG 40 -0.250 -10.863 7.909 314 1HB LYS 41 2HB LYS 41 -4.688 -8.195 14.379 315 2HB LYS 41 1HB LYS 41 -3.726 -6.963 13.575 316 1HG LYS 41 2HG LYS 41 -5.558 -5.634 13.125 317 2HG LYS 41 1HG LYS 41 -6.693 -6.978 13.274 318 1HD LYS 41 2HD LYS 41 -7.054 -6.438 15.399 319 2HD LYS 41 1HD LYS 41 -5.344 -6.695 15.755 320 1HE LYS 41 2HE LYS 41 -5.593 -4.506 16.396 321 2HE LYS 41 1HE LYS 41 -5.083 -4.305 14.721 322 H LYS 41 H LYS 41 -3.794 -6.649 11.336 323 HA LYS 41 HA LYS 41 -4.104 -9.212 12.370 324 1HZ LYS 41 2HZ LYS 41 -7.888 -4.566 14.835 325 2HZ LYS 41 1HZ LYS 41 -7.400 -3.352 15.907 326 3HZ LYS 41 3HZ LYS 41 -6.968 -3.263 14.274 327 1HG1 ILE 42 2HG1 ILE 42 -8.536 -5.350 9.035 328 2HG1 ILE 42 1HG1 ILE 42 -7.770 -6.893 8.670 329 H ILE 42 H ILE 42 -6.362 -7.131 10.753 330 HA ILE 42 HA ILE 42 -8.666 -8.696 11.581 331 HB ILE 42 HB ILE 42 -10.021 -7.113 10.538 332 1HG2 ILE 42 2HG2 ILE 42 -7.539 -5.680 11.466 333 2HG2 ILE 42 1HG2 ILE 42 -9.097 -4.903 11.191 334 3HG2 ILE 42 3HG2 ILE 42 -8.936 -6.135 12.442 335 1HD1 ILE 42 3HD1 ILE 42 -10.719 -6.817 8.565 336 2HD1 ILE 42 2HD1 ILE 42 -9.843 -5.946 7.306 337 3HD1 ILE 42 1HD1 ILE 42 -9.562 -7.671 7.542 338 1HA GLY 43 1HA GLY 43 -7.947 -10.728 7.642 339 2HA GLY 43 2HA GLY 43 -6.190 -10.657 7.672 340 H GLY 43 H GLY 43 -6.348 -8.721 9.089 341 1HB PHE 44 2HB PHE 44 -6.621 -5.562 6.283 342 2HB PHE 44 1HB PHE 44 -4.908 -5.907 6.082 343 H PHE 44 H PHE 44 -5.764 -7.992 7.126 344 HA PHE 44 HA PHE 44 -7.171 -7.340 4.671 345 HD1 PHE 44 HD1 PHE 44 -7.066 -6.080 3.170 346 HD2 PHE 44 HD2 PHE 44 -4.544 -3.558 5.488 347 HE1 PHE 44 HE1 PHE 44 -6.974 -4.470 1.310 348 HE2 PHE 44 HE2 PHE 44 -4.447 -1.943 3.634 349 HZ PHE 44 HZ PHE 44 -5.663 -2.399 1.542 350 1HB HIS 45 2HB HIS 45 -4.697 -11.571 3.207 351 2HB HIS 45 1HB HIS 45 -6.021 -11.102 2.149 352 H HIS 45 H HIS 45 -6.397 -9.321 3.604 353 HA HIS 45 HA HIS 45 -3.596 -9.483 2.918 354 HD1 HIS 45 HD1 HIS 45 -5.881 -12.629 0.208 355 HD2 HIS 45 HD2 HIS 45 -2.148 -11.171 1.302 356 HE1 HIS 45 HE1 HIS 45 -4.281 -13.509 -1.520 357 HE2 HIS 45 HE2 HIS 45 -2.041 -12.552 -0.879 358 H VAL 46 H VAL 46 -2.641 -8.909 1.042 359 HA VAL 46 HA VAL 46 -3.941 -8.453 -1.405 360 HB VAL 46 HB VAL 46 -4.957 -6.500 -0.664 361 1HG1 VAL 46 2HG1 VAL 46 -2.885 -6.516 1.291 362 2HG1 VAL 46 1HG1 VAL 46 -2.953 -4.918 0.545 363 3HG1 VAL 46 3HG1 VAL 46 -4.397 -5.607 1.287 364 1HG2 VAL 46 3HG2 VAL 46 -3.505 -6.173 -2.687 365 2HG2 VAL 46 2HG2 VAL 46 -3.904 -4.699 -1.805 366 3HG2 VAL 46 1HG2 VAL 46 -2.311 -5.432 -1.622 367 1HB CYS 47 2HB CYS 47 0.810 -10.269 -3.705 368 2HB CYS 47 1HB CYS 47 -0.910 -10.584 -3.511 369 H CYS 47 H CYS 47 -2.353 -9.083 -2.700 370 HA CYS 47 HA CYS 47 0.412 -8.798 -2.014 371 H ALA 48 H ALA 48 -1.725 -6.591 -3.144 372 HA ALA 48 HA ALA 48 0.008 -5.323 -5.094 373 1HB ALA 48 2HB ALA 48 -2.646 -5.402 -4.965 374 2HB ALA 48 3HB ALA 48 -1.777 -4.052 -5.696 375 3HB ALA 48 1HB ALA 48 -2.384 -3.919 -4.046 376 H ALA 49 H ALA 49 1.817 -4.911 -3.742 377 HA ALA 49 HA ALA 49 1.991 -3.701 -1.336 378 1HB ALA 49 3HB ALA 49 4.122 -3.908 -1.929 379 2HB ALA 49 2HB ALA 49 3.701 -3.925 -3.642 380 3HB ALA 49 1HB ALA 49 3.956 -2.389 -2.812 381 1HA GLY 50 2HA GLY 50 0.015 0.116 -0.564 382 2HA GLY 50 1HA GLY 50 0.470 0.307 -2.251 383 H GLY 50 H GLY 50 1.486 -1.783 -0.443 384 1HB TRP 51 2HB TRP 51 1.667 4.646 -2.356 385 2HB TRP 51 1HB TRP 51 3.149 5.317 -1.678 386 H TRP 51 H TRP 51 0.860 2.545 -1.723 387 HA TRP 51 HA TRP 51 3.590 2.948 -0.777 388 HD1 TRP 51 HD1 TRP 51 1.867 3.174 -4.518 389 HE1 TRP 51 HE1 TRP 51 3.825 2.591 -6.093 390 HE3 TRP 51 HE3 TRP 51 5.753 4.897 -1.667 391 HZ2 TRP 51 HZ2 TRP 51 6.637 2.839 -6.126 392 HZ3 TRP 51 HZ3 TRP 51 8.044 4.687 -2.547 393 HH2 TRP 51 HH2 TRP 51 8.473 3.681 -4.729 394 1HB MET 52 2HB MET 52 3.064 4.519 4.597 395 2HB MET 52 1HB MET 52 2.042 3.459 3.639 396 1HG MET 52 2HG MET 52 3.944 2.352 2.709 397 2HG MET 52 1HG MET 52 5.042 3.514 3.453 398 H MET 52 H MET 52 4.135 4.117 0.994 399 HA MET 52 HA MET 52 2.011 5.493 2.474 400 1HE MET 52 1HE MET 52 4.725 0.152 3.546 401 2HE MET 52 3HE MET 52 4.085 -0.438 5.080 402 3HE MET 52 2HE MET 52 2.996 0.257 3.880 403 H ALA 53 H ALA 53 3.375 6.320 4.657 404 HA ALA 53 HA ALA 53 4.760 8.550 3.818 405 1HB ALA 53 2HB ALA 53 5.580 8.737 6.131 406 2HB ALA 53 3HB ALA 53 5.033 7.090 6.443 407 3HB ALA 53 1HB ALA 53 3.860 8.350 6.058 408 1HB LYS 54 2HB LYS 54 8.548 6.468 5.021 409 2HB LYS 54 1HB LYS 54 10.041 6.415 4.097 410 1HG LYS 54 2HG LYS 54 10.917 7.330 5.943 411 2HG LYS 54 1HG LYS 54 10.286 8.831 5.266 412 1HD LYS 54 2HD LYS 54 9.112 9.086 7.138 413 2HD LYS 54 1HD LYS 54 8.139 7.699 6.642 414 1HE LYS 54 2HE LYS 54 10.553 6.716 7.758 415 2HE LYS 54 1HE LYS 54 9.907 7.934 8.858 416 H LYS 54 H LYS 54 6.968 9.138 3.827 417 HA LYS 54 HA LYS 54 9.197 8.891 3.447 418 1HZ LYS 54 1HZ LYS 54 7.740 6.724 8.689 419 2HZ LYS 54 3HZ LYS 54 8.559 5.481 7.883 420 3HZ LYS 54 2HZ LYS 54 8.972 5.872 9.476 421 1HA GLY 55 1HA GLY 55 8.450 6.716 -0.368 422 2HA GLY 55 2HA GLY 55 6.727 6.420 -0.242 423 H GLY 55 H GLY 55 6.828 7.089 1.968 424 1HB ARG 56 2HB ARG 56 8.443 3.207 3.642 425 2HB ARG 56 1HB ARG 56 6.835 2.496 3.603 426 1HG ARG 56 2HG ARG 56 8.161 0.406 2.689 427 2HG ARG 56 1HG ARG 56 9.496 1.182 3.546 428 1HD ARG 56 2HD ARG 56 6.824 0.426 4.725 429 2HD ARG 56 1HD ARG 56 8.348 -0.423 4.979 430 1HH1 ARG 56 2HH1 ARG 56 9.193 -0.845 6.332 431 2HH1 ARG 56 1HH1 ARG 56 9.897 -0.476 7.871 432 1HH2 ARG 56 2HH2 ARG 56 8.786 2.840 7.908 433 2HH2 ARG 56 1HH2 ARG 56 9.665 1.620 8.768 434 H ARG 56 H ARG 56 7.096 4.718 2.149 435 HA ARG 56 HA ARG 56 8.653 2.465 1.200 436 HE ARG 56 HE ARG 56 7.864 2.343 5.882 437 H VAL 57 H VAL 57 7.826 0.454 0.609 438 HA VAL 57 HA VAL 57 4.920 0.327 0.170 439 HB VAL 57 HB VAL 57 5.066 -0.110 -2.036 440 1HG1 VAL 57 3HG1 VAL 57 7.572 1.346 -1.354 441 2HG1 VAL 57 2HG1 VAL 57 7.310 0.831 -3.021 442 3HG1 VAL 57 1HG1 VAL 57 6.147 1.898 -2.235 443 1HG2 VAL 57 1HG2 VAL 57 7.531 -1.661 -1.334 444 2HG2 VAL 57 3HG2 VAL 57 6.009 -2.236 -2.015 445 3HG2 VAL 57 2HG2 VAL 57 7.132 -1.313 -3.016 446 1HA GLY 58 2HA GLY 58 5.018 -3.612 1.913 447 2HA GLY 58 1HA GLY 58 5.515 -4.184 0.329 448 H GLY 58 H GLY 58 4.058 -1.825 -0.043 449 1HB TYR 59 2HB TYR 59 1.311 -7.639 -0.886 450 2HB TYR 59 1HB TYR 59 1.645 -6.048 -1.563 451 H TYR 59 H TYR 59 4.154 -6.042 0.910 452 HA TYR 59 HA TYR 59 1.284 -5.500 0.645 453 HD1 TYR 59 HD1 TYR 59 4.073 -5.370 -1.916 454 HD2 TYR 59 HD2 TYR 59 2.904 -9.372 -1.028 455 HE1 TYR 59 HE1 TYR 59 6.223 -6.188 -2.783 456 HE2 TYR 59 HE2 TYR 59 5.048 -10.193 -1.903 457 HH TYR 59 HH TYR 59 6.964 -9.660 -2.885 458 1HB PRO 60 2HB PRO 60 -0.736 -7.824 5.113 459 2HB PRO 60 1HB PRO 60 0.710 -6.920 5.565 460 1HG PRO 60 2HG PRO 60 -1.408 -6.245 3.577 461 2HG PRO 60 1HG PRO 60 -0.532 -5.182 4.691 462 1HD PRO 60 1HD PRO 60 0.058 -5.325 2.059 463 2HD PRO 60 2HD PRO 60 1.295 -5.015 3.292 464 HA PRO 60 HA PRO 60 1.799 -8.358 4.172 465 1HG1 ILE 61 2HG1 ILE 61 2.364 -10.498 1.034 466 2HG1 ILE 61 1HG1 ILE 61 2.625 -11.787 -0.137 467 H ILE 61 H ILE 61 1.764 -10.180 2.776 468 HA ILE 61 HA ILE 61 -0.713 -11.097 1.638 469 HB ILE 61 HB ILE 61 1.776 -12.758 1.908 470 1HG2 ILE 61 2HG2 ILE 61 -0.738 -13.144 0.715 471 2HG2 ILE 61 1HG2 ILE 61 0.412 -12.909 -0.603 472 3HG2 ILE 61 3HG2 ILE 61 0.688 -14.176 0.592 473 1HD1 ILE 61 2HD1 ILE 61 0.317 -11.185 -1.043 474 2HD1 ILE 61 1HD1 ILE 61 0.478 -9.706 -0.096 475 3HD1 ILE 61 3HD1 ILE 61 1.648 -10.072 -1.364 476 H VAL 62 H VAL 62 -1.888 -12.913 2.206 477 HA VAL 62 HA VAL 62 -1.236 -14.296 4.691 478 HB VAL 62 HB VAL 62 -3.916 -12.966 4.256 479 1HG1 VAL 62 2HG1 VAL 62 -3.258 -15.220 5.760 480 2HG1 VAL 62 1HG1 VAL 62 -3.372 -13.905 6.928 481 3HG1 VAL 62 3HG1 VAL 62 -4.735 -14.262 5.867 482 1HG2 VAL 62 2HG2 VAL 62 -1.596 -12.253 6.032 483 2HG2 VAL 62 1HG2 VAL 62 -2.406 -11.245 4.832 484 3HG2 VAL 62 3HG2 VAL 62 -3.236 -11.675 6.328 485 1HB LYS 63 2HB LYS 63 -5.431 -14.958 1.567 486 2HB LYS 63 1HB LYS 63 -4.938 -15.092 -0.114 487 1HG LYS 63 2HG LYS 63 -5.558 -17.652 1.165 488 2HG LYS 63 1HG LYS 63 -6.921 -16.537 1.052 489 1HD LYS 63 2HD LYS 63 -7.174 -17.125 -1.075 490 2HD LYS 63 1HD LYS 63 -5.596 -16.419 -1.424 491 1HE LYS 63 2HE LYS 63 -4.496 -18.487 -1.133 492 2HE LYS 63 1HE LYS 63 -5.911 -19.220 -0.382 493 H LYS 63 H LYS 63 -2.852 -14.086 1.652 494 HA LYS 63 HA LYS 63 -3.671 -16.907 1.890 495 1HZ LYS 63 1HZ LYS 63 -6.290 -18.224 -3.081 496 2HZ LYS 63 3HZ LYS 63 -5.262 -19.560 -2.934 497 3HZ LYS 63 2HZ LYS 63 -6.851 -19.649 -2.363 498 1HB PRO 64 2HB PRO 64 0.661 -19.102 -0.734 499 2HB PRO 64 1HB PRO 64 1.215 -17.610 0.027 500 1HG PRO 64 2HG PRO 64 -0.708 -19.658 1.039 501 2HG PRO 64 1HG PRO 64 0.547 -18.766 1.917 502 1HD PRO 64 1HD PRO 64 -2.068 -18.108 2.064 503 2HD PRO 64 2HD PRO 64 -0.777 -16.892 2.159 504 HA PRO 64 HA PRO 64 -0.329 -16.610 -1.322 505 1HA GLY 65 2HA GLY 65 -2.986 -18.479 -4.266 506 2HA GLY 65 1HA GLY 65 -1.817 -19.767 -4.014 507 H GLY 65 H GLY 65 -0.839 -17.127 -3.348 508 1HB PRO 66 2HB PRO 66 -2.029 -15.415 -8.824 509 2HB PRO 66 1HB PRO 66 -3.136 -16.791 -8.808 510 1HG PRO 66 2HG PRO 66 -2.644 -14.728 -6.693 511 2HG PRO 66 1HG PRO 66 -4.182 -15.406 -7.258 512 1HD PRO 66 2HD PRO 66 -2.957 -16.233 -4.979 513 2HD PRO 66 1HD PRO 66 -3.958 -17.307 -5.976 514 HA PRO 66 HA PRO 66 -1.215 -17.938 -8.275 515 1HB ASN 67 2HB ASN 67 1.161 -14.623 -10.762 516 2HB ASN 67 1HB ASN 67 1.104 -13.116 -9.852 517 1HD2 ASN 67 1HD2 ASN 67 2.417 -12.613 -11.880 518 2HD2 ASN 67 2HD2 ASN 67 4.131 -12.744 -11.719 519 H ASN 67 H ASN 67 -0.248 -15.662 -9.425 520 HA ASN 67 HA ASN 67 2.376 -15.530 -8.620 521 1HB CYS 68 2HB CYS 68 -1.669 -13.205 -5.696 522 2HB CYS 68 1HB CYS 68 -1.134 -12.236 -4.327 523 H CYS 68 H CYS 68 -0.354 -13.991 -7.226 524 HA CYS 68 HA CYS 68 0.919 -11.784 -6.001 525 1HA GLY 69 2HA GLY 69 0.677 -16.065 -2.783 526 2HA GLY 69 1HA GLY 69 0.934 -14.509 -2.006 527 H GLY 69 H GLY 69 -0.238 -14.795 -4.470 528 1HB PHE 70 2HB PHE 70 4.743 -12.706 -1.458 529 2HB PHE 70 1HB PHE 70 5.736 -13.772 -0.470 530 H PHE 70 H PHE 70 2.960 -14.081 -1.457 531 HA PHE 70 HA PHE 70 5.159 -14.736 -3.206 532 HD1 PHE 70 HD1 PHE 70 5.677 -12.376 -3.930 533 HD2 PHE 70 HD2 PHE 70 8.005 -13.480 -0.544 534 HE1 PHE 70 HE1 PHE 70 7.698 -11.523 -5.046 535 HE2 PHE 70 HE2 PHE 70 10.029 -12.630 -1.653 536 HZ PHE 70 HZ PHE 70 9.877 -11.651 -3.907 537 1HA GLY 71 1HA GLY 71 5.708 -18.271 -0.509 538 2HA GLY 71 2HA GLY 71 3.999 -18.665 -0.357 539 H GLY 71 H GLY 71 3.486 -16.353 -0.788 540 1HB LYS 72 2HB LYS 72 6.764 -14.714 2.651 541 2HB LYS 72 1HB LYS 72 6.515 -14.878 4.384 542 1HG LYS 72 2HG LYS 72 7.679 -17.082 4.266 543 2HG LYS 72 1HG LYS 72 8.061 -16.724 2.581 544 1HD LYS 72 2HD LYS 72 9.831 -15.551 3.231 545 2HD LYS 72 1HD LYS 72 8.778 -14.462 4.137 546 1HE LYS 72 2HE LYS 72 9.526 -17.097 5.321 547 2HE LYS 72 1HE LYS 72 10.694 -15.776 5.346 548 H LYS 72 H LYS 72 5.408 -15.826 1.116 549 HA LYS 72 HA LYS 72 5.383 -17.143 3.738 550 1HZ LYS 72 1HZ LYS 72 8.656 -14.464 6.279 551 2HZ LYS 72 3HZ LYS 72 8.120 -16.005 6.729 552 3HZ LYS 72 2HZ LYS 72 9.602 -15.423 7.302 553 H THR 73 H THR 73 4.626 -15.779 5.589 554 HA THR 73 HA THR 73 2.205 -14.294 4.803 555 HB THR 73 HB THR 73 1.557 -14.875 7.283 556 HG1 THR 73 HG1 THR 73 3.850 -16.162 7.062 557 1HG2 THR 73 2HG2 THR 73 1.413 -16.621 4.856 558 2HG2 THR 73 1HG2 THR 73 0.733 -17.175 6.386 559 3HG2 THR 73 3HG2 THR 73 0.137 -15.692 5.640 560 1HA GLY 74 2HA GLY 74 4.043 -11.175 7.288 561 2HA GLY 74 1HA GLY 74 2.355 -10.683 7.361 562 H GLY 74 H GLY 74 2.066 -12.215 5.357 563 1HG1 ILE 75 1HG1 ILE 75 2.149 -5.354 5.451 564 2HG1 ILE 75 2HG1 ILE 75 1.958 -6.323 6.910 565 H ILE 75 H ILE 75 3.499 -8.532 7.182 566 HA ILE 75 HA ILE 75 3.022 -7.405 4.675 567 HB ILE 75 HB ILE 75 4.409 -6.455 7.137 568 1HG2 ILE 75 2HG2 ILE 75 4.716 -5.268 4.412 569 2HG2 ILE 75 1HG2 ILE 75 4.671 -4.221 5.829 570 3HG2 ILE 75 3HG2 ILE 75 5.914 -5.464 5.692 571 1HD1 ILE 75 1HD1 ILE 75 3.424 -4.390 7.950 572 2HD1 ILE 75 3HD1 ILE 75 2.733 -3.483 6.605 573 3HD1 ILE 75 2HD1 ILE 75 1.674 -4.253 7.785 574 1HG1 ILE 76 2HG1 ILE 76 4.171 -9.441 2.296 575 2HG1 ILE 76 1HG1 ILE 76 4.070 -9.874 0.594 576 H ILE 76 H ILE 76 4.114 -7.551 2.845 577 HA ILE 76 HA ILE 76 6.905 -8.417 2.895 578 HB ILE 76 HB ILE 76 5.345 -7.991 0.378 579 1HG2 ILE 76 3HG2 ILE 76 7.781 -8.533 0.379 580 2HG2 ILE 76 2HG2 ILE 76 7.376 -10.088 1.106 581 3HG2 ILE 76 1HG2 ILE 76 6.771 -9.683 -0.501 582 1HD1 ILE 76 2HD1 ILE 76 6.387 -10.988 1.982 583 2HD1 ILE 76 1HD1 ILE 76 4.825 -11.550 2.576 584 3HD1 ILE 76 3HD1 ILE 76 5.242 -11.746 0.875 585 1HB ASP 77 2HB ASP 77 6.874 -3.213 3.201 586 2HB ASP 77 1HB ASP 77 7.696 -4.147 4.447 587 H ASP 77 H ASP 77 7.862 -6.455 3.559 588 HA ASP 77 HA ASP 77 7.875 -4.371 1.476 589 1HB TYR 78 2HB TYR 78 11.214 -4.939 -1.026 590 2HB TYR 78 1HB TYR 78 12.867 -4.389 -0.767 591 H TYR 78 H TYR 78 9.744 -4.441 0.435 592 HA TYR 78 HA TYR 78 12.122 -5.509 1.675 593 HD1 TYR 78 HD1 TYR 78 10.651 -7.350 -0.607 594 HD2 TYR 78 HD2 TYR 78 14.661 -5.928 -0.643 595 HE1 TYR 78 HE1 TYR 78 11.459 -9.653 -0.909 596 HE2 TYR 78 HE2 TYR 78 15.480 -8.226 -0.946 597 HH TYR 78 HH TYR 78 14.919 -10.397 -0.948 598 1HA GLY 79 2HA GLY 79 13.171 -1.377 2.862 599 2HA GLY 79 1HA GLY 79 11.537 -0.800 3.188 600 H GLY 79 H GLY 79 10.703 -2.707 2.158 601 1HG1 ILE 80 1HG1 ILE 80 11.696 2.836 2.853 602 2HG1 ILE 80 2HG1 ILE 80 12.401 4.444 2.986 603 H ILE 80 H ILE 80 12.448 1.291 2.521 604 HA ILE 80 HA ILE 80 11.583 2.128 0.056 605 HB ILE 80 HB ILE 80 13.888 3.377 1.547 606 1HG2 ILE 80 3HG2 ILE 80 12.032 4.290 -0.600 607 2HG2 ILE 80 2HG2 ILE 80 12.646 5.463 0.566 608 3HG2 ILE 80 1HG2 ILE 80 13.770 4.538 -0.430 609 1HD1 ILE 80 3HD1 ILE 80 10.124 3.687 1.175 610 2HD1 ILE 80 2HD1 ILE 80 9.977 4.512 2.726 611 3HD1 ILE 80 1HD1 ILE 80 10.803 5.301 1.382 612 1HB ARG 81 2HB ARG 81 13.211 1.778 -4.641 613 2HB ARG 81 1HB ARG 81 14.316 0.420 -4.467 614 1HG ARG 81 2HG ARG 81 12.083 0.520 -2.546 615 2HG ARG 81 1HG ARG 81 11.654 0.216 -4.232 616 1HD ARG 81 2HD ARG 81 13.697 -1.336 -2.646 617 2HD ARG 81 1HD ARG 81 12.044 -1.860 -2.963 618 1HH1 ARG 81 1HH1 ARG 81 10.990 -2.664 -4.057 619 2HH1 ARG 81 2HH1 ARG 81 10.775 -3.646 -5.466 620 1HH2 ARG 81 1HH2 ARG 81 13.921 -2.921 -6.809 621 2HH2 ARG 81 2HH2 ARG 81 12.442 -3.794 -7.032 622 H ARG 81 H ARG 81 12.530 2.527 -1.937 623 HA ARG 81 HA ARG 81 15.075 1.118 -2.404 624 HE ARG 81 HE ARG 81 14.195 -1.631 -4.947 625 1HB LEU 82 2HB LEU 82 17.246 4.297 -2.997 626 2HB LEU 82 1HB LEU 82 17.330 5.894 -3.711 627 H LEU 82 H LEU 82 14.373 4.029 -1.674 628 HA LEU 82 HA LEU 82 15.090 6.130 -2.182 629 HG LEU 82 HG LEU 82 18.685 5.787 -1.699 630 1HD1 LEU 82 3HD1 LEU 82 17.574 7.899 -2.252 631 2HD1 LEU 82 2HD1 LEU 82 16.195 7.428 -1.259 632 3HD1 LEU 82 1HD1 LEU 82 17.769 7.698 -0.510 633 1HD2 LEU 82 2HD2 LEU 82 16.746 4.113 -0.727 634 2HD2 LEU 82 1HD2 LEU 82 18.061 4.818 0.212 635 3HD2 LEU 82 3HD2 LEU 82 16.477 5.593 0.193 636 1HB ASN 83 2HB ASN 83 14.964 4.968 -7.142 637 2HB ASN 83 1HB ASN 83 13.793 3.685 -6.846 638 1HD2 ASN 83 2HD2 ASN 83 14.256 6.711 -8.596 639 2HD2 ASN 83 1HD2 ASN 83 13.275 6.283 -9.951 640 H ASN 83 H ASN 83 13.346 4.635 -4.128 641 HA ASN 83 HA ASN 83 13.453 6.626 -6.219 642 1HB ARG 84 2HB ARG 84 8.948 8.385 -5.655 643 2HB ARG 84 1HB ARG 84 7.979 7.359 -4.607 644 1HG ARG 84 2HG ARG 84 9.139 8.355 -2.973 645 2HG ARG 84 1HG ARG 84 10.387 7.183 -3.393 646 1HD ARG 84 2HD ARG 84 11.695 8.992 -3.618 647 2HD ARG 84 1HD ARG 84 10.899 9.154 -5.183 648 1HH1 ARG 84 1HH1 ARG 84 11.615 9.495 -1.856 649 2HH1 ARG 84 2HH1 ARG 84 11.407 10.814 -0.752 650 1HH2 ARG 84 2HH2 ARG 84 9.380 12.679 -2.905 651 2HH2 ARG 84 1HH2 ARG 84 10.138 12.622 -1.348 652 H ARG 84 H ARG 84 11.433 7.252 -5.438 653 HA ARG 84 HA ARG 84 9.264 5.457 -5.082 654 HE ARG 84 HE ARG 84 9.660 10.937 -4.352 655 1HB SER 85 2HB SER 85 11.386 5.703 -9.804 656 2HB SER 85 1HB SER 85 10.401 5.142 -11.156 657 H SER 85 H SER 85 10.636 5.376 -7.726 658 HA SER 85 HA SER 85 8.499 6.232 -9.531 659 HG SER 85 HG SER 85 10.914 7.237 -11.595 660 1HB GLU 86 2HB GLU 86 7.392 1.323 -6.740 661 2HB GLU 86 1HB GLU 86 8.498 0.196 -7.509 662 1HG GLU 86 2HG GLU 86 9.568 2.830 -6.668 663 2HG GLU 86 1HG GLU 86 9.197 1.643 -5.417 664 H GLU 86 H GLU 86 8.869 3.694 -7.653 665 HA GLU 86 HA GLU 86 8.718 1.469 -9.396 666 1HB ARG 87 2HB ARG 87 4.960 -1.135 -10.979 667 2HB ARG 87 1HB ARG 87 3.671 -0.046 -11.465 668 1HG ARG 87 2HG ARG 87 5.052 0.582 -13.091 669 2HG ARG 87 1HG ARG 87 5.898 1.495 -11.841 670 1HD ARG 87 2HD ARG 87 7.685 0.319 -12.534 671 2HD ARG 87 1HD ARG 87 7.009 -0.947 -11.509 672 1HH1 ARG 87 2HH1 ARG 87 9.041 -1.361 -12.645 673 2HH1 ARG 87 1HH1 ARG 87 9.627 -2.499 -13.811 674 1HH2 ARG 87 1HH2 ARG 87 6.595 -2.733 -15.537 675 2HH2 ARG 87 2HH2 ARG 87 8.236 -3.280 -15.455 676 H ARG 87 H ARG 87 6.721 -0.033 -9.257 677 HA ARG 87 HA ARG 87 4.326 1.583 -9.829 678 HE ARG 87 HE ARG 87 5.834 -1.235 -13.997 679 1HB TRP 88 2HB TRP 88 3.929 0.896 -5.128 680 2HB TRP 88 1HB TRP 88 2.955 -0.416 -4.479 681 H TRP 88 H TRP 88 3.702 1.453 -7.618 682 HA TRP 88 HA TRP 88 2.604 -1.179 -6.873 683 HD1 TRP 88 HD1 TRP 88 6.388 0.369 -4.860 684 HE1 TRP 88 HE1 TRP 88 7.872 -1.725 -5.030 685 HE3 TRP 88 HE3 TRP 88 2.783 -3.085 -5.939 686 HZ2 TRP 88 HZ2 TRP 88 7.549 -4.487 -5.547 687 HZ3 TRP 88 HZ3 TRP 88 3.453 -5.431 -6.260 688 HH2 TRP 88 HH2 TRP 88 5.789 -6.115 -6.069 689 1HB ASP 89 2HB ASP 89 -2.486 -0.560 -5.489 690 2HB ASP 89 1HB ASP 89 -1.161 -1.503 -4.819 691 H ASP 89 H ASP 89 0.916 -0.830 -5.019 692 HA ASP 89 HA ASP 89 -1.040 1.047 -6.065 693 H ALA 90 H ALA 90 -2.545 1.668 -3.901 694 HA ALA 90 HA ALA 90 -0.718 3.073 -2.071 695 1HB ALA 90 3HB ALA 90 -1.268 4.831 -3.462 696 2HB ALA 90 1HB ALA 90 -2.480 4.973 -2.188 697 3HB ALA 90 2HB ALA 90 -2.908 4.240 -3.734 698 1HB TYR 91 2HB TYR 91 -1.039 1.874 2.060 699 2HB TYR 91 1HB TYR 91 -2.452 1.503 3.040 700 H TYR 91 H TYR 91 -1.167 2.684 -0.018 701 HA TYR 91 HA TYR 91 -3.643 1.357 0.689 702 HD1 TYR 91 HD1 TYR 91 -3.865 -0.514 1.569 703 HD2 TYR 91 HD2 TYR 91 0.333 0.014 2.005 704 HE1 TYR 91 HE1 TYR 91 -3.530 -2.913 1.159 705 HE2 TYR 91 HE2 TYR 91 0.684 -2.385 1.593 706 HH TYR 91 HH TYR 91 -0.437 -4.258 0.560 707 1HB CYS 92 2HB CYS 92 -6.991 4.165 0.150 708 2HB CYS 92 1HB CYS 92 -7.411 5.606 1.069 709 H CYS 92 H CYS 92 -4.919 3.295 0.131 710 HA CYS 92 HA CYS 92 -4.799 5.732 1.437 711 1HB TYR 93 2HB TYR 93 -4.929 4.868 5.630 712 2HB TYR 93 1HB TYR 93 -5.134 6.591 5.935 713 H TYR 93 H TYR 93 -6.185 6.609 3.112 714 HA TYR 93 HA TYR 93 -7.369 4.774 5.009 715 HD1 TYR 93 HD1 TYR 93 -7.412 7.003 7.460 716 HD2 TYR 93 HD2 TYR 93 -4.876 3.586 7.540 717 HE1 TYR 93 HE1 TYR 93 -8.160 6.512 9.748 718 HE2 TYR 93 HE2 TYR 93 -5.618 3.084 9.829 719 HH TYR 93 HH TYR 93 -6.998 5.147 11.812 720 1HB ASN 94 2HB ASN 94 -9.955 7.748 3.822 721 2HB ASN 94 1HB ASN 94 -11.456 8.153 4.650 722 1HD2 ASN 94 2HD2 ASN 94 -11.851 10.067 3.705 723 2HD2 ASN 94 1HD2 ASN 94 -10.836 11.459 3.857 724 H ASN 94 H ASN 94 -9.159 5.681 5.789 725 HA ASN 94 HA ASN 94 -9.301 8.448 6.499 726 1HB PRO 95 2HB PRO 95 -12.839 8.496 10.638 727 2HB PRO 95 1HB PRO 95 -11.384 7.538 10.936 728 1HG PRO 95 2HG PRO 95 -11.692 10.107 9.442 729 2HG PRO 95 1HG PRO 95 -10.405 9.604 10.551 730 1HD PRO 95 2HD PRO 95 -10.097 9.563 7.872 731 2HD PRO 95 1HD PRO 95 -9.323 8.367 8.931 732 HA PRO 95 HA PRO 95 -12.135 6.275 9.184 733 1HB HIS 96 2HB HIS 96 -14.650 10.669 7.350 734 2HB HIS 96 1HB HIS 96 -14.258 10.493 5.641 735 H HIS 96 H HIS 96 -12.756 8.543 6.794 736 HA HIS 96 HA HIS 96 -15.662 8.352 7.241 737 HD1 HIS 96 HD1 HIS 96 -15.850 12.545 5.195 738 HD2 HIS 96 HD2 HIS 96 -17.723 9.145 6.676 739 HE1 HIS 96 HE1 HIS 96 -18.306 12.902 4.794 740 HE2 HIS 96 HE2 HIS 96 -19.426 10.871 5.778 741 H ALA 97 H ALA 97 -13.102 7.371 5.317 742 HA ALA 97 HA ALA 97 -14.551 7.230 2.820 743 1HB ALA 97 3HB ALA 97 -11.848 6.205 3.666 744 2HB ALA 97 1HB ALA 97 -12.207 7.598 2.645 745 3HB ALA 97 2HB ALA 97 -12.520 5.967 2.053 746 1HB LYS 98 2HB LYS 98 -14.801 3.470 5.734 747 2HB LYS 98 1HB LYS 98 -16.400 3.501 6.466 748 1HG LYS 98 2HG LYS 98 -16.560 1.302 6.291 749 2HG LYS 98 1HG LYS 98 -16.297 1.391 4.548 750 1HD LYS 98 2HD LYS 98 -13.999 1.090 4.753 751 2HD LYS 98 1HD LYS 98 -13.988 1.586 6.446 752 1HE LYS 98 2HE LYS 98 -15.109 -0.978 5.323 753 2HE LYS 98 1HE LYS 98 -13.645 -0.803 6.289 754 H LYS 98 H LYS 98 -16.186 5.998 4.446 755 HA LYS 98 HA LYS 98 -16.189 3.285 3.494 756 1HZ LYS 98 2HZ LYS 98 -15.022 -0.012 8.130 757 2HZ LYS 98 1HZ LYS 98 -16.416 -0.250 7.202 758 3HZ LYS 98 3HZ LYS 98 -15.462 -1.573 7.651 No H/Q in entry = 758 Start of MODEL 9 1 1HA GLY 1 2HA GLY 1 -9.335 1.782 8.663 2 2HA GLY 1 1HA GLY 1 -9.799 3.457 8.409 3 H1 GLY 1 3H GLY 1 -11.158 1.208 7.045 4 H2 GLY 1 2H GLY 1 -11.661 1.804 8.546 5 H3 GLY 1 1H GLY 1 -11.684 2.811 7.186 6 H VAL 2 H VAL 2 -7.504 1.411 7.607 7 HA VAL 2 HA VAL 2 -6.795 2.848 5.222 8 HB VAL 2 HB VAL 2 -4.934 2.377 6.530 9 1HG1 VAL 2 2HG1 VAL 2 -6.414 -0.013 7.224 10 2HG1 VAL 2 1HG1 VAL 2 -4.708 -0.354 6.937 11 3HG1 VAL 2 3HG1 VAL 2 -5.176 0.854 8.135 12 1HG2 VAL 2 2HG2 VAL 2 -5.033 1.350 4.002 13 2HG2 VAL 2 1HG2 VAL 2 -3.572 1.510 4.977 14 3HG2 VAL 2 3HG2 VAL 2 -4.442 -0.024 4.936 15 1HB TYR 3 2HB TYR 3 -9.247 0.443 0.721 16 2HB TYR 3 1HB TYR 3 -9.869 0.530 2.363 17 H TYR 3 H TYR 3 -7.086 2.255 3.167 18 HA TYR 3 HA TYR 3 -7.806 -0.539 2.611 19 HD1 TYR 3 HD1 TYR 3 -8.612 2.866 3.510 20 HD2 TYR 3 HD2 TYR 3 -10.010 2.259 -0.462 21 HE1 TYR 3 HE1 TYR 3 -8.942 5.290 3.262 22 HE2 TYR 3 HE2 TYR 3 -10.336 4.682 -0.724 23 HH TYR 3 HH TYR 3 -9.730 6.732 0.189 24 1HB HIS 4 2HB HIS 4 -4.334 -2.095 -0.936 25 2HB HIS 4 1HB HIS 4 -5.887 -2.658 -0.331 26 H HIS 4 H HIS 4 -7.479 -1.168 0.340 27 HA HIS 4 HA HIS 4 -4.993 0.018 -0.658 28 HD1 HIS 4 HD1 HIS 4 -7.706 -3.255 -2.122 29 HD2 HIS 4 HD2 HIS 4 -3.957 -2.351 -3.668 30 HE1 HIS 4 HE1 HIS 4 -7.750 -4.058 -4.504 31 HE2 HIS 4 HE2 HIS 4 -5.453 -3.549 -5.405 32 1HB ARG 5 2HB ARG 5 -5.977 3.193 -3.458 33 2HB ARG 5 1HB ARG 5 -6.876 3.090 -4.966 34 1HG ARG 5 2HG ARG 5 -7.956 2.012 -2.381 35 2HG ARG 5 1HG ARG 5 -8.184 3.689 -2.883 36 1HD ARG 5 2HD ARG 5 -9.025 2.593 -5.105 37 2HD ARG 5 1HD ARG 5 -9.277 1.184 -4.078 38 1HH1 ARG 5 2HH1 ARG 5 -10.692 0.344 -3.860 39 2HH1 ARG 5 1HH1 ARG 5 -12.341 0.250 -3.342 40 1HH2 ARG 5 2HH2 ARG 5 -12.670 3.689 -2.802 41 2HH2 ARG 5 1HH2 ARG 5 -13.467 2.152 -2.741 42 H ARG 5 H ARG 5 -4.776 0.812 -2.697 43 HA ARG 5 HA ARG 5 -6.995 0.582 -4.575 44 HE ARG 5 HE ARG 5 -10.497 3.801 -3.485 45 1HB GLU 6 2HB GLU 6 -3.902 -0.295 -9.176 46 2HB GLU 6 1HB GLU 6 -4.970 -1.006 -7.976 47 1HG GLU 6 2HG GLU 6 -5.910 1.097 -9.892 48 2HG GLU 6 1HG GLU 6 -5.914 -0.619 -10.300 49 H GLU 6 H GLU 6 -6.416 0.925 -6.727 50 HA GLU 6 HA GLU 6 -3.519 0.936 -7.204 51 H ALA 7 H ALA 7 -3.426 1.572 -9.844 52 HA ALA 7 HA ALA 7 -3.898 4.434 -9.751 53 1HB ALA 7 3HB ALA 7 -2.075 4.547 -11.015 54 2HB ALA 7 2HB ALA 7 -1.945 2.791 -10.903 55 3HB ALA 7 1HB ALA 7 -2.811 3.528 -12.253 56 1HB ARG 8 2HB ARG 8 -5.824 6.864 -13.461 57 2HB ARG 8 1HB ARG 8 -7.526 6.548 -13.772 58 1HG ARG 8 2HG ARG 8 -7.774 6.690 -11.202 59 2HG ARG 8 1HG ARG 8 -6.210 7.503 -11.267 60 1HD ARG 8 2HD ARG 8 -8.711 8.337 -12.731 61 2HD ARG 8 1HD ARG 8 -8.035 9.117 -11.301 62 1HH1 ARG 8 1HH1 ARG 8 -8.015 10.818 -11.269 63 2HH1 ARG 8 2HH1 ARG 8 -7.304 12.319 -11.760 64 1HH2 ARG 8 1HH2 ARG 8 -5.547 10.941 -14.450 65 2HH2 ARG 8 2HH2 ARG 8 -5.901 12.389 -13.568 66 H ARG 8 H ARG 8 -4.831 5.572 -11.612 67 HA ARG 8 HA ARG 8 -7.390 4.573 -12.261 68 HE ARG 8 HE ARG 8 -6.487 8.969 -13.796 69 1HB SER 9 2HB SER 9 -2.685 2.748 -16.164 70 2HB SER 9 1HB SER 9 -3.565 4.003 -17.035 71 H SER 9 H SER 9 -4.348 3.979 -13.617 72 HA SER 9 HA SER 9 -5.484 3.204 -16.207 73 HG SER 9 HG SER 9 -1.857 4.428 -15.186 74 1HA GLY 10 2HA GLY 10 -3.597 -0.714 -14.403 75 2HA GLY 10 1HA GLY 10 -5.054 -0.593 -13.427 76 H GLY 10 H GLY 10 -4.022 1.918 -13.313 77 1HB LYS 11 2HB LYS 11 -3.983 -3.004 -9.686 78 2HB LYS 11 1HB LYS 11 -2.946 -3.949 -10.728 79 1HG LYS 11 2HG LYS 11 -1.190 -3.967 -9.118 80 2HG LYS 11 1HG LYS 11 -2.048 -2.801 -8.106 81 1HD LYS 11 2HD LYS 11 -2.592 -4.735 -7.015 82 2HD LYS 11 1HD LYS 11 -3.925 -4.658 -8.167 83 1HE LYS 11 2HE LYS 11 -3.100 -6.883 -8.213 84 2HE LYS 11 1HE LYS 11 -2.557 -6.102 -9.698 85 H LYS 11 H LYS 11 -3.665 -2.315 -12.301 86 HA LYS 11 HA LYS 11 -2.554 -1.097 -9.951 87 1HZ LYS 11 1HZ LYS 11 -0.874 -6.336 -7.268 88 2HZ LYS 11 3HZ LYS 11 -0.840 -7.455 -8.536 89 3HZ LYS 11 2HZ LYS 11 -0.387 -5.850 -8.813 90 1HB TYR 12 2HB TYR 12 0.986 -3.730 -11.179 91 2HB TYR 12 1HB TYR 12 2.689 -3.340 -10.962 92 H TYR 12 H TYR 12 -0.468 -1.515 -9.082 93 HA TYR 12 HA TYR 12 1.797 -1.673 -9.155 94 HD1 TYR 12 HD1 TYR 12 0.811 -2.964 -7.950 95 HD2 TYR 12 HD2 TYR 12 2.774 -5.841 -10.394 96 HE1 TYR 12 HE1 TYR 12 0.926 -4.504 -6.037 97 HE2 TYR 12 HE2 TYR 12 2.889 -7.390 -8.489 98 HH TYR 12 HH TYR 12 2.865 -7.267 -6.012 99 1HB LYS 13 2HB LYS 13 1.776 2.012 -13.837 100 2HB LYS 13 1HB LYS 13 1.436 0.314 -13.540 101 1HG LYS 13 2HG LYS 13 -0.649 0.755 -12.645 102 2HG LYS 13 1HG LYS 13 -0.242 2.428 -12.261 103 1HD LYS 13 2HD LYS 13 -1.624 2.673 -14.100 104 2HD LYS 13 1HD LYS 13 -0.020 2.694 -14.835 105 1HE LYS 13 2HE LYS 13 -0.822 -0.006 -14.682 106 2HE LYS 13 1HE LYS 13 -2.196 0.903 -15.311 107 H LYS 13 H LYS 13 1.221 0.618 -10.081 108 HA LYS 13 HA LYS 13 3.175 1.216 -12.029 109 1HZ LYS 13 3HZ LYS 13 -0.319 1.954 -16.795 110 2HZ LYS 13 2HZ LYS 13 0.449 0.480 -16.487 111 3HZ LYS 13 1HZ LYS 13 -1.071 0.502 -17.228 112 1HB LEU 14 2HB LEU 14 0.464 2.843 -7.825 113 2HB LEU 14 1HB LEU 14 0.872 4.426 -7.195 114 H LEU 14 H LEU 14 1.728 1.954 -9.395 115 HA LEU 14 HA LEU 14 1.262 4.803 -9.867 116 HG LEU 14 HG LEU 14 -1.297 3.731 -9.165 117 1HD1 LEU 14 3HD1 LEU 14 -1.167 4.169 -6.328 118 2HD1 LEU 14 2HD1 LEU 14 -2.215 5.366 -7.092 119 3HD1 LEU 14 1HD1 LEU 14 -2.528 3.645 -7.321 120 1HD2 LEU 14 1HD2 LEU 14 0.194 6.201 -8.881 121 2HD2 LEU 14 3HD2 LEU 14 -0.984 5.725 -10.104 122 3HD2 LEU 14 2HD2 LEU 14 -1.530 6.422 -8.579 123 H THR 15 H THR 15 2.270 6.406 -8.532 124 HA THR 15 HA THR 15 4.952 5.599 -7.616 125 HB THR 15 HB THR 15 5.736 7.831 -8.111 126 HG1 THR 15 HG1 THR 15 3.853 9.021 -7.668 127 1HG2 THR 15 3HG2 THR 15 5.682 6.190 -9.962 128 2HG2 THR 15 2HG2 THR 15 4.104 6.814 -10.441 129 3HG2 THR 15 1HG2 THR 15 5.527 7.853 -10.527 130 1HB TYR 16 2HB TYR 16 6.568 7.961 -3.847 131 2HB TYR 16 1HB TYR 16 6.314 9.584 -4.480 132 H TYR 16 H TYR 16 5.535 8.059 -6.315 133 HA TYR 16 HA TYR 16 4.126 7.597 -3.832 134 HD1 TYR 16 HD1 TYR 16 5.218 7.459 -1.604 135 HD2 TYR 16 HD2 TYR 16 6.307 11.336 -2.978 136 HE1 TYR 16 HE1 TYR 16 5.038 8.315 0.691 137 HE2 TYR 16 HE2 TYR 16 6.127 12.204 -0.684 138 HH TYR 16 HH TYR 16 4.865 11.544 1.441 139 H ALA 17 H ALA 17 4.798 10.470 -5.827 140 HA ALA 17 HA ALA 17 2.978 12.163 -4.512 141 1HB ALA 17 2HB ALA 17 4.839 12.919 -5.969 142 2HB ALA 17 1HB ALA 17 3.918 12.366 -7.368 143 3HB ALA 17 3HB ALA 17 3.292 13.671 -6.360 144 1HB GLU 18 2HB GLU 18 1.610 8.214 -8.376 145 2HB GLU 18 1HB GLU 18 -0.041 8.368 -8.961 146 1HG GLU 18 2HG GLU 18 0.526 10.066 -10.463 147 2HG GLU 18 1HG GLU 18 2.069 10.374 -9.666 148 H GLU 18 H GLU 18 2.603 9.842 -7.088 149 HA GLU 18 HA GLU 18 0.028 10.740 -7.949 150 H ALA 19 H ALA 19 1.140 7.991 -5.998 151 HA ALA 19 HA ALA 19 -1.328 6.930 -5.313 152 1HB ALA 19 1HB ALA 19 0.156 5.485 -4.483 153 2HB ALA 19 2HB ALA 19 0.241 6.536 -3.070 154 3HB ALA 19 3HB ALA 19 1.409 6.722 -4.380 155 1HB LYS 20 2HB LYS 20 1.265 10.693 -1.831 156 2HB LYS 20 1HB LYS 20 0.524 11.967 -2.786 157 1HG LYS 20 2HG LYS 20 -0.550 12.897 -0.935 158 2HG LYS 20 1HG LYS 20 -0.338 11.435 0.033 159 1HD LYS 20 2HD LYS 20 2.180 12.584 -0.892 160 2HD LYS 20 1HD LYS 20 1.249 13.676 0.136 161 1HE LYS 20 2HE LYS 20 1.101 11.151 1.350 162 2HE LYS 20 1HE LYS 20 2.782 11.356 0.858 163 H LYS 20 H LYS 20 0.587 9.390 -3.632 164 HA LYS 20 HA LYS 20 -1.091 9.799 -1.459 165 1HZ LYS 20 3HZ LYS 20 1.237 13.320 2.461 166 2HZ LYS 20 2HZ LYS 20 2.338 12.206 3.098 167 3HZ LYS 20 1HZ LYS 20 2.876 13.425 2.055 168 H ALA 21 H ALA 21 -1.094 11.268 -4.670 169 HA ALA 21 HA ALA 21 -3.167 13.133 -4.138 170 1HB ALA 21 2HB ALA 21 -3.151 13.605 -6.449 171 2HB ALA 21 1HB ALA 21 -1.483 13.206 -6.038 172 3HB ALA 21 3HB ALA 21 -2.501 12.016 -6.850 173 H VAL 22 H VAL 22 -3.142 9.884 -5.565 174 HA VAL 22 HA VAL 22 -5.773 9.670 -6.363 175 HB VAL 22 HB VAL 22 -3.675 7.777 -5.520 176 1HG1 VAL 22 2HG1 VAL 22 -6.575 6.968 -5.519 177 2HG1 VAL 22 1HG1 VAL 22 -5.201 5.864 -5.440 178 3HG1 VAL 22 3HG1 VAL 22 -5.495 7.001 -4.123 179 1HG2 VAL 22 2HG2 VAL 22 -4.019 8.399 -7.848 180 2HG2 VAL 22 1HG2 VAL 22 -4.318 6.677 -7.608 181 3HG2 VAL 22 3HG2 VAL 22 -5.674 7.793 -7.777 182 1HB CYS 23 2HB CYS 23 -4.054 8.623 -1.282 183 2HB CYS 23 1HB CYS 23 -4.681 9.912 -0.287 184 H CYS 23 H CYS 23 -4.357 9.403 -3.170 185 HA CYS 23 HA CYS 23 -6.742 8.555 -1.843 186 1HB GLU 24 2HB GLU 24 -4.167 13.456 -1.810 187 2HB GLU 24 1HB GLU 24 -5.292 14.805 -1.902 188 1HG GLU 24 2HG GLU 24 -5.167 15.078 0.520 189 2HG GLU 24 1HG GLU 24 -4.046 13.722 0.616 190 H GLU 24 H GLU 24 -4.756 11.441 -1.463 191 HA GLU 24 HA GLU 24 -6.424 13.051 -0.041 192 1HB PHE 25 2HB PHE 25 -7.174 13.534 -5.667 193 2HB PHE 25 1HB PHE 25 -7.855 11.912 -5.642 194 H PHE 25 H PHE 25 -6.766 12.173 -3.384 195 HA PHE 25 HA PHE 25 -8.772 14.207 -3.897 196 HD1 PHE 25 HD1 PHE 25 -8.501 15.423 -6.508 197 HD2 PHE 25 HD2 PHE 25 -9.924 11.418 -6.711 198 HE1 PHE 25 HE1 PHE 25 -10.185 16.110 -8.165 199 HE2 PHE 25 HE2 PHE 25 -11.611 12.097 -8.369 200 HZ PHE 25 HZ PHE 25 -11.743 14.446 -9.097 201 1HB GLU 26 2HB GLU 26 -9.150 8.575 -3.082 202 2HB GLU 26 1HB GLU 26 -10.805 8.033 -2.849 203 1HG GLU 26 2HG GLU 26 -10.781 9.233 -5.363 204 2HG GLU 26 1HG GLU 26 -9.288 8.301 -5.274 205 H GLU 26 H GLU 26 -8.585 10.768 -3.247 206 HA GLU 26 HA GLU 26 -11.449 10.425 -3.623 207 1HA GLY 27 1HA GLY 27 -11.946 11.303 0.660 208 2HA GLY 27 2HA GLY 27 -10.676 12.514 0.784 209 H GLY 27 H GLY 27 -10.113 12.028 -1.396 210 1HA GLY 28 2HA GLY 28 -8.038 8.920 1.918 211 2HA GLY 28 1HA GLY 28 -8.159 10.060 3.254 212 H GLY 28 H GLY 28 -8.403 11.538 0.909 213 1HB HIS 29 2HB HIS 29 -3.662 10.286 4.722 214 2HB HIS 29 1HB HIS 29 -2.700 11.218 3.579 215 H HIS 29 H HIS 29 -5.883 8.951 3.365 216 HA HIS 29 HA HIS 29 -3.938 10.391 1.719 217 HD1 HIS 29 HD1 HIS 29 -5.706 11.391 5.670 218 HD2 HIS 29 HD2 HIS 29 -4.115 13.471 2.443 219 HE1 HIS 29 HE1 HIS 29 -6.974 13.559 5.578 220 HE2 HIS 29 HE2 HIS 29 -5.937 14.837 3.669 221 1HB LEU 30 2HB LEU 30 0.553 8.742 2.348 222 2HB LEU 30 1HB LEU 30 0.855 7.045 2.052 223 H LEU 30 H LEU 30 -1.672 9.549 2.144 224 HA LEU 30 HA LEU 30 -1.645 6.748 1.818 225 HG LEU 30 HG LEU 30 -0.327 9.044 0.131 226 1HD1 LEU 30 3HD1 LEU 30 2.164 8.977 0.490 227 2HD1 LEU 30 2HD1 LEU 30 2.134 7.336 -0.155 228 3HD1 LEU 30 1HD1 LEU 30 1.624 8.689 -1.164 229 1HD2 LEU 30 2HD2 LEU 30 -1.176 6.495 0.247 230 2HD2 LEU 30 1HD2 LEU 30 -1.040 7.415 -1.252 231 3HD2 LEU 30 3HD2 LEU 30 0.245 6.303 -0.781 232 H ALA 31 H ALA 31 -1.965 5.286 3.356 233 HA ALA 31 HA ALA 31 -1.972 5.805 6.106 234 1HB ALA 31 3HB ALA 31 -2.087 3.371 4.426 235 2HB ALA 31 2HB ALA 31 -1.681 3.166 6.131 236 3HB ALA 31 1HB ALA 31 -3.196 3.946 5.673 237 H THR 32 H THR 32 -0.611 3.752 7.310 238 HA THR 32 HA THR 32 2.222 4.258 6.722 239 HB THR 32 HB THR 32 2.728 5.102 8.746 240 HG1 THR 32 HG1 THR 32 1.657 4.369 10.691 241 1HG2 THR 32 1HG2 THR 32 -0.222 5.586 8.517 242 2HG2 THR 32 3HG2 THR 32 0.701 6.228 9.875 243 3HG2 THR 32 2HG2 THR 32 1.111 6.703 8.227 244 1HB TYR 33 2HB TYR 33 5.318 1.173 7.956 245 2HB TYR 33 1HB TYR 33 4.935 0.884 9.647 246 H TYR 33 H TYR 33 3.645 2.751 8.063 247 HA TYR 33 HA TYR 33 3.037 0.096 7.447 248 HD1 TYR 33 HD1 TYR 33 5.475 -0.804 6.391 249 HD2 TYR 33 HD2 TYR 33 5.228 -1.242 10.616 250 HE1 TYR 33 HE1 TYR 33 6.344 -3.096 6.198 251 HE2 TYR 33 HE2 TYR 33 6.095 -3.536 10.434 252 HH TYR 33 HH TYR 33 7.006 -5.059 9.071 253 1HB LYS 34 2HB LYS 34 2.643 2.313 12.552 254 2HB LYS 34 1HB LYS 34 0.986 2.043 13.069 255 1HG LYS 34 2HG LYS 34 2.313 -0.047 14.237 256 2HG LYS 34 1HG LYS 34 3.493 1.261 14.327 257 1HD LYS 34 2HD LYS 34 0.687 1.877 15.078 258 2HD LYS 34 1HD LYS 34 1.639 0.897 16.195 259 1HE LYS 34 2HE LYS 34 3.433 2.787 15.764 260 2HE LYS 34 1HE LYS 34 1.999 3.731 15.364 261 H LYS 34 H LYS 34 3.068 1.694 10.625 262 HA LYS 34 HA LYS 34 2.180 -0.429 12.165 263 1HZ LYS 34 3HZ LYS 34 1.884 2.190 17.828 264 2HZ LYS 34 2HZ LYS 34 2.942 3.510 17.825 265 3HZ LYS 34 1HZ LYS 34 1.301 3.743 17.493 266 1HB GLN 35 2HB GLN 35 -1.497 2.450 8.640 267 2HB GLN 35 1HB GLN 35 -3.103 2.397 9.346 268 1HG GLN 35 2HG GLN 35 -2.231 3.688 11.283 269 2HG GLN 35 1HG GLN 35 -0.702 3.850 10.421 270 1HE2 GLN 35 1HE2 GLN 35 -2.983 5.711 11.292 271 2HE2 GLN 35 2HE2 GLN 35 -3.274 6.668 9.884 272 H GLN 35 H GLN 35 0.274 2.022 10.443 273 HA GLN 35 HA GLN 35 -2.256 1.146 11.261 274 1HB LEU 36 2HB LEU 36 0.898 -1.034 7.278 275 2HB LEU 36 1HB LEU 36 0.603 -2.755 7.136 276 H LEU 36 H LEU 36 -0.097 0.067 8.720 277 HA LEU 36 HA LEU 36 -1.937 -1.550 7.310 278 HG LEU 36 HG LEU 36 0.790 -1.767 4.936 279 1HD1 LEU 36 3HD1 LEU 36 -1.432 -3.255 5.856 280 2HD1 LEU 36 2HD1 LEU 36 -2.018 -2.111 4.647 281 3HD1 LEU 36 1HD1 LEU 36 -0.719 -3.232 4.243 282 1HD2 LEU 36 2HD2 LEU 36 -0.635 0.373 6.125 283 2HD2 LEU 36 1HD2 LEU 36 0.082 0.287 4.516 284 3HD2 LEU 36 3HD2 LEU 36 -1.587 -0.227 4.767 285 1HB GLU 37 2HB GLU 37 1.383 -3.482 11.671 286 2HB GLU 37 1HB GLU 37 0.048 -2.805 12.587 287 1HG GLU 37 2HG GLU 37 -0.496 -5.283 13.121 288 2HG GLU 37 1HG GLU 37 1.183 -5.561 12.659 289 H GLU 37 H GLU 37 0.018 -2.045 10.160 290 HA GLU 37 HA GLU 37 -0.228 -4.845 10.373 291 H ALA 38 H ALA 38 -1.970 -2.265 12.068 292 HA ALA 38 HA ALA 38 -3.850 -3.792 13.397 293 1HB ALA 38 1HB ALA 38 -3.508 -1.355 13.705 294 2HB ALA 38 2HB ALA 38 -5.206 -1.801 13.537 295 3HB ALA 38 3HB ALA 38 -4.345 -1.077 12.178 296 H ALA 39 H ALA 39 -3.688 -2.844 10.058 297 HA ALA 39 HA ALA 39 -6.369 -3.569 9.370 298 1HB ALA 39 1HB ALA 39 -3.964 -3.299 7.571 299 2HB ALA 39 2HB ALA 39 -5.018 -1.969 8.055 300 3HB ALA 39 3HB ALA 39 -5.657 -3.290 7.076 301 1HB ARG 40 2HB ARG 40 -1.710 -6.723 8.544 302 2HB ARG 40 1HB ARG 40 -1.872 -7.353 10.178 303 1HG ARG 40 2HG ARG 40 -2.683 -9.410 8.438 304 2HG ARG 40 1HG ARG 40 -1.199 -8.731 7.772 305 1HD ARG 40 2HD ARG 40 0.033 -9.229 9.686 306 2HD ARG 40 1HD ARG 40 -1.409 -9.400 10.683 307 1HH1 ARG 40 1HH1 ARG 40 -2.720 -10.465 11.186 308 2HH1 ARG 40 2HH1 ARG 40 -3.273 -12.086 11.445 309 1HH2 ARG 40 2HH2 ARG 40 -1.060 -13.520 9.151 310 2HH2 ARG 40 1HH2 ARG 40 -2.330 -13.822 10.290 311 H ARG 40 H ARG 40 -3.313 -5.199 9.606 312 HA ARG 40 HA ARG 40 -4.090 -7.537 8.141 313 HE ARG 40 HE ARG 40 -0.337 -11.381 8.816 314 1HB LYS 41 2HB LYS 41 -5.630 -6.209 13.387 315 2HB LYS 41 1HB LYS 41 -5.804 -7.575 14.481 316 1HG LYS 41 2HG LYS 41 -3.167 -7.660 14.169 317 2HG LYS 41 1HG LYS 41 -3.418 -5.944 13.838 318 1HD LYS 41 2HD LYS 41 -4.837 -5.985 16.005 319 2HD LYS 41 1HD LYS 41 -3.978 -7.489 16.341 320 1HE LYS 41 2HE LYS 41 -2.905 -5.512 17.365 321 2HE LYS 41 1HE LYS 41 -1.854 -6.359 16.230 322 H LYS 41 H LYS 41 -4.080 -6.554 11.512 323 HA LYS 41 HA LYS 41 -4.500 -8.943 12.800 324 1HZ LYS 41 3HZ LYS 41 -3.419 -4.249 15.042 325 2HZ LYS 41 2HZ LYS 41 -2.321 -3.710 16.210 326 3HZ LYS 41 1HZ LYS 41 -1.771 -4.599 14.881 327 1HG1 ILE 42 1HG1 ILE 42 -8.298 -5.490 9.299 328 2HG1 ILE 42 2HG1 ILE 42 -8.163 -7.130 8.672 329 H ILE 42 H ILE 42 -6.765 -7.034 10.930 330 HA ILE 42 HA ILE 42 -9.023 -8.681 11.696 331 HB ILE 42 HB ILE 42 -10.372 -7.253 10.350 332 1HG2 ILE 42 1HG2 ILE 42 -9.464 -6.343 12.498 333 2HG2 ILE 42 3HG2 ILE 42 -8.260 -5.472 11.548 334 3HG2 ILE 42 2HG2 ILE 42 -9.975 -5.120 11.336 335 1HD1 ILE 42 3HD1 ILE 42 -10.890 -6.123 8.639 336 2HD1 ILE 42 2HD1 ILE 42 -9.773 -5.158 7.674 337 3HD1 ILE 42 1HD1 ILE 42 -9.941 -6.887 7.362 338 1HA GLY 43 1HA GLY 43 -8.159 -10.563 7.653 339 2HA GLY 43 2HA GLY 43 -6.411 -10.490 7.829 340 H GLY 43 H GLY 43 -6.805 -8.314 9.009 341 1HB PHE 44 2HB PHE 44 -6.343 -5.523 6.388 342 2HB PHE 44 1HB PHE 44 -4.694 -5.916 5.914 343 H PHE 44 H PHE 44 -5.847 -7.899 7.198 344 HA PHE 44 HA PHE 44 -7.115 -7.231 4.678 345 HD1 PHE 44 HD1 PHE 44 -7.207 -6.026 3.325 346 HD2 PHE 44 HD2 PHE 44 -4.430 -3.524 5.352 347 HE1 PHE 44 HE1 PHE 44 -7.349 -4.391 1.490 348 HE2 PHE 44 HE2 PHE 44 -4.564 -1.884 3.523 349 HZ PHE 44 HZ PHE 44 -6.028 -2.315 1.590 350 1HB HIS 45 2HB HIS 45 -4.650 -11.511 3.500 351 2HB HIS 45 1HB HIS 45 -6.049 -11.255 2.464 352 H HIS 45 H HIS 45 -6.523 -9.171 3.533 353 HA HIS 45 HA HIS 45 -3.681 -9.430 2.870 354 HD1 HIS 45 HD1 HIS 45 -5.928 -12.964 0.688 355 HD2 HIS 45 HD2 HIS 45 -2.208 -11.284 1.463 356 HE1 HIS 45 HE1 HIS 45 -4.360 -13.993 -0.986 357 HE2 HIS 45 HE2 HIS 45 -2.104 -13.010 -0.456 358 H VAL 46 H VAL 46 -2.893 -8.716 1.009 359 HA VAL 46 HA VAL 46 -4.350 -8.755 -1.441 360 HB VAL 46 HB VAL 46 -5.467 -6.805 -0.837 361 1HG1 VAL 46 1HG1 VAL 46 -3.696 -6.557 1.161 362 2HG1 VAL 46 3HG1 VAL 46 -3.136 -5.258 0.109 363 3HG1 VAL 46 2HG1 VAL 46 -4.804 -5.269 0.684 364 1HG2 VAL 46 2HG2 VAL 46 -2.942 -5.977 -2.256 365 2HG2 VAL 46 1HG2 VAL 46 -4.477 -6.455 -2.981 366 3HG2 VAL 46 3HG2 VAL 46 -4.359 -4.941 -2.083 367 1HB CYS 47 2HB CYS 47 -0.603 -9.694 -5.044 368 2HB CYS 47 1HB CYS 47 0.281 -10.442 -3.718 369 H CYS 47 H CYS 47 -2.868 -9.182 -2.931 370 HA CYS 47 HA CYS 47 -0.072 -8.681 -2.386 371 H ALA 48 H ALA 48 -0.973 -6.267 -2.475 372 HA ALA 48 HA ALA 48 0.042 -5.208 -4.995 373 1HB ALA 48 3HB ALA 48 -2.608 -5.404 -4.829 374 2HB ALA 48 1HB ALA 48 -1.808 -4.054 -5.636 375 3HB ALA 48 2HB ALA 48 -2.402 -3.870 -3.985 376 H ALA 49 H ALA 49 1.839 -4.663 -3.666 377 HA ALA 49 HA ALA 49 2.046 -3.387 -1.324 378 1HB ALA 49 3HB ALA 49 4.150 -3.383 -2.030 379 2HB ALA 49 2HB ALA 49 3.637 -3.492 -3.714 380 3HB ALA 49 1HB ALA 49 3.790 -1.915 -2.939 381 1HA GLY 50 2HA GLY 50 -0.238 0.219 -0.504 382 2HA GLY 50 1HA GLY 50 0.297 0.555 -2.142 383 H GLY 50 H GLY 50 1.511 -1.498 -0.400 384 1HB TRP 51 2HB TRP 51 1.741 4.726 -2.486 385 2HB TRP 51 1HB TRP 51 3.153 5.435 -1.710 386 H TRP 51 H TRP 51 1.303 2.439 -2.267 387 HA TRP 51 HA TRP 51 3.640 3.053 -0.856 388 HD1 TRP 51 HD1 TRP 51 2.115 3.375 -4.691 389 HE1 TRP 51 HE1 TRP 51 4.176 2.899 -6.164 390 HE3 TRP 51 HE3 TRP 51 5.778 5.038 -1.533 391 HZ2 TRP 51 HZ2 TRP 51 6.978 3.200 -6.010 392 HZ3 TRP 51 HZ3 TRP 51 8.122 4.911 -2.272 393 HH2 TRP 51 HH2 TRP 51 8.707 4.011 -4.465 394 1HB MET 52 2HB MET 52 2.379 4.002 4.564 395 2HB MET 52 1HB MET 52 1.237 3.428 3.359 396 1HG MET 52 2HG MET 52 2.403 1.579 3.007 397 2HG MET 52 1HG MET 52 3.905 2.479 2.813 398 H MET 52 H MET 52 3.955 3.725 1.146 399 HA MET 52 HA MET 52 1.969 5.433 2.442 400 1HE MET 52 3HE MET 52 3.254 -0.263 3.782 401 2HE MET 52 2HE MET 52 4.361 -0.540 5.127 402 3HE MET 52 1HE MET 52 2.626 -0.413 5.423 403 H ALA 53 H ALA 53 2.907 6.057 4.730 404 HA ALA 53 HA ALA 53 4.456 7.420 5.728 405 1HB ALA 53 3HB ALA 53 6.168 6.217 6.584 406 2HB ALA 53 2HB ALA 53 5.282 4.877 5.855 407 3HB ALA 53 1HB ALA 53 6.657 5.588 5.010 408 1HB LYS 54 2HB LYS 54 9.189 8.275 4.936 409 2HB LYS 54 1HB LYS 54 9.818 8.754 3.367 410 1HG LYS 54 2HG LYS 54 8.753 11.093 4.277 411 2HG LYS 54 1HG LYS 54 9.332 10.347 5.767 412 1HD LYS 54 2HD LYS 54 11.550 10.121 4.849 413 2HD LYS 54 1HD LYS 54 10.999 10.704 3.278 414 1HE LYS 54 2HE LYS 54 11.996 12.578 4.227 415 2HE LYS 54 1HE LYS 54 10.279 12.818 4.550 416 H LYS 54 H LYS 54 7.156 7.815 5.278 417 HA LYS 54 HA LYS 54 7.259 9.886 3.510 418 1HZ LYS 54 2HZ LYS 54 11.460 11.359 6.659 419 2HZ LYS 54 1HZ LYS 54 12.350 12.772 6.388 420 3HZ LYS 54 3HZ LYS 54 10.691 12.865 6.710 421 1HA GLY 55 1HA GLY 55 8.242 6.908 0.071 422 2HA GLY 55 2HA GLY 55 6.524 6.557 0.199 423 H GLY 55 H GLY 55 7.199 6.534 2.768 424 1HB ARG 56 2HB ARG 56 7.932 3.471 4.119 425 2HB ARG 56 1HB ARG 56 6.635 2.307 3.884 426 1HG ARG 56 2HG ARG 56 8.256 0.551 3.457 427 2HG ARG 56 1HG ARG 56 9.575 1.712 3.625 428 1HD ARG 56 2HD ARG 56 7.700 1.651 5.880 429 2HD ARG 56 1HD ARG 56 8.606 0.157 5.637 430 1HH1 ARG 56 1HH1 ARG 56 8.426 0.554 7.794 431 2HH1 ARG 56 2HH1 ARG 56 9.452 0.903 9.145 432 1HH2 ARG 56 2HH2 ARG 56 11.721 2.818 7.298 433 2HH2 ARG 56 1HH2 ARG 56 11.326 2.190 8.863 434 H ARG 56 H ARG 56 6.907 4.841 2.558 435 HA ARG 56 HA ARG 56 8.579 2.660 1.659 436 HE ARG 56 HE ARG 56 10.365 2.352 5.526 437 H VAL 57 H VAL 57 7.939 0.891 0.568 438 HA VAL 57 HA VAL 57 5.055 0.605 0.034 439 HB VAL 57 HB VAL 57 5.448 0.176 -2.138 440 1HG1 VAL 57 2HG1 VAL 57 7.356 1.984 -1.151 441 2HG1 VAL 57 1HG1 VAL 57 8.191 0.981 -2.338 442 3HG1 VAL 57 3HG1 VAL 57 6.731 1.860 -2.795 443 1HG2 VAL 57 1HG2 VAL 57 7.831 -1.385 -1.189 444 2HG2 VAL 57 3HG2 VAL 57 6.353 -1.976 -1.950 445 3HG2 VAL 57 2HG2 VAL 57 7.541 -1.085 -2.902 446 1HA GLY 58 2HA GLY 58 4.956 -3.201 2.079 447 2HA GLY 58 1HA GLY 58 5.537 -3.820 0.542 448 H GLY 58 H GLY 58 4.096 -1.397 0.161 449 1HB TYR 59 2HB TYR 59 1.151 -6.928 -0.994 450 2HB TYR 59 1HB TYR 59 1.709 -5.323 -1.456 451 H TYR 59 H TYR 59 4.135 -5.646 1.071 452 HA TYR 59 HA TYR 59 1.277 -5.149 0.850 453 HD1 TYR 59 HD1 TYR 59 4.254 -4.957 -1.619 454 HD2 TYR 59 HD2 TYR 59 2.452 -8.815 -1.468 455 HE1 TYR 59 HE1 TYR 59 6.287 -5.941 -2.587 456 HE2 TYR 59 HE2 TYR 59 4.483 -9.803 -2.436 457 HH TYR 59 HH TYR 59 7.124 -7.814 -3.604 458 1HB PRO 60 2HB PRO 60 -0.647 -8.242 4.913 459 2HB PRO 60 1HB PRO 60 0.719 -7.231 5.387 460 1HG PRO 60 2HG PRO 60 -1.535 -6.623 3.528 461 2HG PRO 60 1HG PRO 60 -0.753 -5.576 4.723 462 1HD PRO 60 1HD PRO 60 -0.227 -5.443 2.059 463 2HD PRO 60 2HD PRO 60 0.971 -5.036 3.303 464 HA PRO 60 HA PRO 60 1.848 -8.492 3.842 465 1HG1 ILE 61 2HG1 ILE 61 2.499 -10.449 0.680 466 2HG1 ILE 61 1HG1 ILE 61 2.259 -11.325 -0.828 467 H ILE 61 H ILE 61 1.777 -10.438 2.888 468 HA ILE 61 HA ILE 61 -0.701 -11.245 1.525 469 HB ILE 61 HB ILE 61 1.913 -12.695 1.263 470 1HG2 ILE 61 2HG2 ILE 61 -0.689 -13.052 0.243 471 2HG2 ILE 61 1HG2 ILE 61 0.325 -12.537 -1.106 472 3HG2 ILE 61 3HG2 ILE 61 0.770 -13.958 -0.159 473 1HD1 ILE 61 1HD1 ILE 61 -0.225 -10.198 -0.129 474 2HD1 ILE 61 3HD1 ILE 61 0.999 -8.946 0.077 475 3HD1 ILE 61 2HD1 ILE 61 0.835 -9.771 -1.473 476 H VAL 62 H VAL 62 -1.935 -12.119 3.114 477 HA VAL 62 HA VAL 62 -0.812 -13.937 5.061 478 HB VAL 62 HB VAL 62 -3.757 -13.561 4.668 479 1HG1 VAL 62 3HG1 VAL 62 -1.968 -14.001 7.053 480 2HG1 VAL 62 2HG1 VAL 62 -3.701 -13.694 7.161 481 3HG1 VAL 62 1HG1 VAL 62 -3.111 -15.141 6.344 482 1HG2 VAL 62 1HG2 VAL 62 -2.273 -11.353 4.677 483 2HG2 VAL 62 3HG2 VAL 62 -3.829 -11.447 5.501 484 3HG2 VAL 62 2HG2 VAL 62 -2.334 -11.635 6.417 485 1HB LYS 63 2HB LYS 63 -4.825 -15.513 2.007 486 2HB LYS 63 1HB LYS 63 -4.378 -15.656 0.314 487 1HG LYS 63 2HG LYS 63 -5.502 -17.567 0.293 488 2HG LYS 63 1HG LYS 63 -4.206 -18.247 1.279 489 1HD LYS 63 2HD LYS 63 -5.618 -17.062 3.210 490 2HD LYS 63 1HD LYS 63 -6.921 -17.355 2.059 491 1HE LYS 63 2HE LYS 63 -5.007 -19.518 2.873 492 2HE LYS 63 1HE LYS 63 -6.455 -19.158 3.810 493 H LYS 63 H LYS 63 -2.584 -14.105 2.061 494 HA LYS 63 HA LYS 63 -2.652 -17.042 2.299 495 1HZ LYS 63 3HZ LYS 63 -7.644 -19.422 1.562 496 2HZ LYS 63 2HZ LYS 63 -6.244 -20.237 1.077 497 3HZ LYS 63 1HZ LYS 63 -7.148 -20.815 2.384 498 1HB PRO 64 2HB PRO 64 1.256 -19.066 -0.900 499 2HB PRO 64 1HB PRO 64 1.912 -17.828 0.172 500 1HG PRO 64 2HG PRO 64 -0.193 -19.875 0.702 501 2HG PRO 64 1HG PRO 64 1.106 -19.300 1.761 502 1HD PRO 64 2HD PRO 64 -1.451 -18.475 2.031 503 2HD PRO 64 1HD PRO 64 -0.070 -17.417 2.390 504 HA PRO 64 HA PRO 64 0.490 -16.426 -0.928 505 1HA GLY 65 2HA GLY 65 -1.734 -17.730 -4.392 506 2HA GLY 65 1HA GLY 65 -0.816 -19.221 -4.241 507 H GLY 65 H GLY 65 0.678 -17.134 -3.089 508 1HB PRO 66 2HB PRO 66 -0.518 -17.995 -9.946 509 2HB PRO 66 1HB PRO 66 -0.041 -19.518 -9.191 510 1HG PRO 66 2HG PRO 66 -2.459 -17.825 -8.684 511 2HG PRO 66 1HG PRO 66 -2.338 -19.588 -8.833 512 1HD PRO 66 2HD PRO 66 -2.494 -18.329 -6.436 513 2HD PRO 66 1HD PRO 66 -1.602 -19.847 -6.665 514 HA PRO 66 HA PRO 66 1.311 -18.138 -7.948 515 1HB ASN 67 2HB ASN 67 0.632 -14.917 -10.796 516 2HB ASN 67 1HB ASN 67 -0.187 -13.604 -9.955 517 1HD2 ASN 67 1HD2 ASN 67 1.654 -11.743 -9.578 518 2HD2 ASN 67 2HD2 ASN 67 2.323 -11.198 -11.074 519 H ASN 67 H ASN 67 2.234 -16.328 -8.688 520 HA ASN 67 HA ASN 67 2.606 -14.125 -9.125 521 1HB CYS 68 2HB CYS 68 -1.013 -14.496 -5.643 522 2HB CYS 68 1HB CYS 68 -0.820 -13.827 -4.027 523 H CYS 68 H CYS 68 1.563 -14.900 -6.487 524 HA CYS 68 HA CYS 68 0.820 -12.229 -5.596 525 1HA GLY 69 2HA GLY 69 1.858 -16.228 -2.192 526 2HA GLY 69 1HA GLY 69 2.130 -14.549 -1.744 527 H GLY 69 H GLY 69 0.790 -15.451 -4.074 528 1HB PHE 70 2HB PHE 70 5.870 -12.640 -1.818 529 2HB PHE 70 1HB PHE 70 7.167 -13.561 -1.066 530 H PHE 70 H PHE 70 4.191 -14.013 -1.547 531 HA PHE 70 HA PHE 70 6.140 -14.795 -3.515 532 HD1 PHE 70 HD1 PHE 70 6.115 -12.207 -4.369 533 HD2 PHE 70 HD2 PHE 70 9.334 -13.278 -1.799 534 HE1 PHE 70 HE1 PHE 70 7.714 -11.268 -5.987 535 HE2 PHE 70 HE2 PHE 70 10.938 -12.340 -3.411 536 HZ PHE 70 HZ PHE 70 10.129 -11.334 -5.508 537 1HA GLY 71 1HA GLY 71 7.393 -17.750 -0.298 538 2HA GLY 71 2HA GLY 71 5.897 -18.616 -0.632 539 H GLY 71 H GLY 71 4.876 -16.305 -0.849 540 1HB LYS 72 2HB LYS 72 7.721 -14.997 3.322 541 2HB LYS 72 1HB LYS 72 6.873 -15.096 4.861 542 1HG LYS 72 2HG LYS 72 8.201 -16.730 5.633 543 2HG LYS 72 1HG LYS 72 8.275 -17.548 4.072 544 1HD LYS 72 2HD LYS 72 9.644 -14.991 4.028 545 2HD LYS 72 1HD LYS 72 10.297 -16.072 5.260 546 1HE LYS 72 2HE LYS 72 10.955 -17.653 3.717 547 2HE LYS 72 1HE LYS 72 9.781 -17.120 2.515 548 H LYS 72 H LYS 72 6.943 -15.925 1.466 549 HA LYS 72 HA LYS 72 6.018 -17.391 3.800 550 1HZ LYS 72 3HZ LYS 72 11.589 -15.029 3.074 551 2HZ LYS 72 2HZ LYS 72 12.460 -16.425 2.685 552 3HZ LYS 72 1HZ LYS 72 11.305 -15.820 1.605 553 H THR 73 H THR 73 4.849 -16.031 5.514 554 HA THR 73 HA THR 73 2.672 -14.545 4.194 555 HB THR 73 HB THR 73 1.350 -15.218 6.299 556 HG1 THR 73 HG1 THR 73 3.604 -16.201 7.039 557 1HG2 THR 73 1HG2 THR 73 2.086 -16.910 3.973 558 2HG2 THR 73 3HG2 THR 73 1.176 -17.674 5.276 559 3HG2 THR 73 2HG2 THR 73 0.516 -16.262 4.449 560 1HA GLY 74 2HA GLY 74 3.955 -11.452 7.028 561 2HA GLY 74 1HA GLY 74 2.230 -11.118 6.947 562 H GLY 74 H GLY 74 2.444 -12.474 4.727 563 1HG1 ILE 75 1HG1 ILE 75 2.002 -5.533 5.599 564 2HG1 ILE 75 2HG1 ILE 75 1.754 -6.668 6.921 565 H ILE 75 H ILE 75 3.321 -8.882 7.065 566 HA ILE 75 HA ILE 75 2.888 -7.538 4.672 567 HB ILE 75 HB ILE 75 4.204 -6.805 7.241 568 1HG2 ILE 75 1HG2 ILE 75 4.548 -5.324 4.661 569 2HG2 ILE 75 3HG2 ILE 75 4.533 -4.469 6.204 570 3HG2 ILE 75 2HG2 ILE 75 5.750 -5.707 5.893 571 1HD1 ILE 75 2HD1 ILE 75 2.995 -4.985 8.372 572 2HD1 ILE 75 1HD1 ILE 75 2.760 -3.853 7.041 573 3HD1 ILE 75 3HD1 ILE 75 1.365 -4.567 7.848 574 1HG1 ILE 76 1HG1 ILE 76 5.145 -9.992 2.326 575 2HG1 ILE 76 2HG1 ILE 76 4.028 -9.718 0.993 576 H ILE 76 H ILE 76 4.011 -7.460 2.854 577 HA ILE 76 HA ILE 76 6.810 -8.302 2.857 578 HB ILE 76 HB ILE 76 4.992 -7.754 0.509 579 1HG2 ILE 76 3HG2 ILE 76 7.760 -8.900 0.744 580 2HG2 ILE 76 2HG2 ILE 76 6.741 -9.164 -0.672 581 3HG2 ILE 76 1HG2 ILE 76 7.216 -7.527 -0.221 582 1HD1 ILE 76 3HD1 ILE 76 6.783 -10.879 0.690 583 2HD1 ILE 76 2HD1 ILE 76 5.298 -11.823 0.813 584 3HD1 ILE 76 1HD1 ILE 76 5.542 -10.738 -0.556 585 1HB ASP 77 2HB ASP 77 6.770 -3.979 4.395 586 2HB ASP 77 1HB ASP 77 8.472 -3.744 4.779 587 H ASP 77 H ASP 77 7.744 -6.421 3.735 588 HA ASP 77 HA ASP 77 7.738 -4.104 1.914 589 1HB TYR 78 2HB TYR 78 11.016 -4.941 -0.667 590 2HB TYR 78 1HB TYR 78 12.252 -3.692 -0.565 591 H TYR 78 H TYR 78 9.581 -4.145 0.801 592 HA TYR 78 HA TYR 78 11.989 -5.302 1.877 593 HD1 TYR 78 HD1 TYR 78 14.609 -4.301 -0.216 594 HD2 TYR 78 HD2 TYR 78 11.604 -7.271 -0.713 595 HE1 TYR 78 HE1 TYR 78 16.349 -5.978 -0.665 596 HE2 TYR 78 HE2 TYR 78 13.336 -8.957 -1.163 597 HH TYR 78 HH TYR 78 16.158 -8.952 -0.374 598 1HA GLY 79 2HA GLY 79 12.957 -1.174 3.283 599 2HA GLY 79 1HA GLY 79 11.320 -0.559 3.505 600 H GLY 79 H GLY 79 10.508 -2.354 2.237 601 1HG1 ILE 80 1HG1 ILE 80 11.592 3.235 3.340 602 2HG1 ILE 80 2HG1 ILE 80 12.310 4.840 3.431 603 H ILE 80 H ILE 80 12.250 1.538 2.985 604 HA ILE 80 HA ILE 80 11.619 2.524 0.533 605 HB ILE 80 HB ILE 80 13.888 3.528 2.255 606 1HG2 ILE 80 3HG2 ILE 80 12.241 4.925 0.151 607 2HG2 ILE 80 2HG2 ILE 80 13.426 5.700 1.202 608 3HG2 ILE 80 1HG2 ILE 80 13.946 4.490 0.030 609 1HD1 ILE 80 3HD1 ILE 80 10.222 3.990 1.442 610 2HD1 ILE 80 2HD1 ILE 80 9.918 4.903 2.919 611 3HD1 ILE 80 1HD1 ILE 80 10.896 5.608 1.631 612 1HB ARG 81 2HB ARG 81 13.025 1.968 -3.999 613 2HB ARG 81 1HB ARG 81 14.297 0.759 -4.112 614 1HG ARG 81 2HG ARG 81 12.369 0.245 -1.978 615 2HG ARG 81 1HG ARG 81 11.668 0.250 -3.599 616 1HD ARG 81 2HD ARG 81 14.167 -1.285 -2.954 617 2HD ARG 81 1HD ARG 81 12.563 -1.970 -2.697 618 1HH1 ARG 81 2HH1 ARG 81 12.298 -3.553 -3.264 619 2HH1 ARG 81 1HH1 ARG 81 11.963 -4.642 -4.569 620 1HH2 ARG 81 2HH2 ARG 81 12.913 -2.393 -7.073 621 2HH2 ARG 81 1HH2 ARG 81 12.313 -3.982 -6.735 622 H ARG 81 H ARG 81 12.485 2.599 -1.462 623 HA ARG 81 HA ARG 81 15.011 1.167 -1.877 624 HE ARG 81 HE ARG 81 13.350 -0.968 -5.347 625 1HB LEU 82 2HB LEU 82 17.484 4.173 -1.942 626 2HB LEU 82 1HB LEU 82 17.568 5.182 -3.370 627 H LEU 82 H LEU 82 14.637 4.055 -1.050 628 HA LEU 82 HA LEU 82 15.545 6.099 -1.485 629 HG LEU 82 HG LEU 82 19.167 5.907 -1.674 630 1HD1 LEU 82 1HD1 LEU 82 17.817 7.510 -3.205 631 2HD1 LEU 82 3HD1 LEU 82 17.051 8.015 -1.700 632 3HD1 LEU 82 2HD1 LEU 82 18.796 8.174 -1.897 633 1HD2 LEU 82 2HD2 LEU 82 16.722 5.999 0.039 634 2HD2 LEU 82 1HD2 LEU 82 18.316 5.334 0.393 635 3HD2 LEU 82 3HD2 LEU 82 18.075 7.080 0.369 636 1HB ASN 83 2HB ASN 83 15.165 5.424 -6.484 637 2HB ASN 83 1HB ASN 83 13.992 4.123 -6.300 638 1HD2 ASN 83 2HD2 ASN 83 12.812 3.713 -8.012 639 2HD2 ASN 83 1HD2 ASN 83 12.422 4.825 -9.275 640 H ASN 83 H ASN 83 13.593 4.827 -3.453 641 HA ASN 83 HA ASN 83 13.673 6.982 -5.361 642 1HB ARG 84 2HB ARG 84 8.122 7.754 -4.076 643 2HB ARG 84 1HB ARG 84 9.564 7.736 -3.070 644 1HG ARG 84 2HG ARG 84 10.489 9.121 -5.176 645 2HG ARG 84 1HG ARG 84 8.784 9.569 -5.238 646 1HD ARG 84 2HD ARG 84 8.846 10.398 -3.000 647 2HD ARG 84 1HD ARG 84 10.467 9.751 -2.748 648 1HH1 ARG 84 1HH1 ARG 84 11.774 10.525 -2.076 649 2HH1 ARG 84 2HH1 ARG 84 12.950 11.796 -2.067 650 1HH2 ARG 84 1HH2 ARG 84 11.457 13.592 -4.669 651 2HH2 ARG 84 2HH2 ARG 84 12.770 13.539 -3.540 652 H ARG 84 H ARG 84 11.659 7.613 -4.759 653 HA ARG 84 HA ARG 84 9.497 5.742 -4.458 654 HE ARG 84 HE ARG 84 9.912 11.914 -4.673 655 1HB SER 85 2HB SER 85 10.858 7.644 -9.221 656 2HB SER 85 1HB SER 85 11.377 6.003 -9.602 657 H SER 85 H SER 85 10.755 5.728 -7.050 658 HA SER 85 HA SER 85 8.573 6.748 -8.743 659 HG SER 85 HG SER 85 10.611 6.334 -11.516 660 1HB GLU 86 2HB GLU 86 7.722 1.609 -6.584 661 2HB GLU 86 1HB GLU 86 8.851 0.578 -7.453 662 1HG GLU 86 2HG GLU 86 9.940 3.112 -6.412 663 2HG GLU 86 1HG GLU 86 9.471 1.907 -5.214 664 H GLU 86 H GLU 86 8.893 4.140 -7.189 665 HA GLU 86 HA GLU 86 9.132 2.091 -9.173 666 1HB ARG 87 2HB ARG 87 5.596 -0.762 -11.070 667 2HB ARG 87 1HB ARG 87 4.363 0.350 -11.642 668 1HG ARG 87 2HG ARG 87 5.853 1.188 -13.043 669 2HG ARG 87 1HG ARG 87 6.751 1.804 -11.655 670 1HD ARG 87 2HD ARG 87 8.174 -0.052 -11.604 671 2HD ARG 87 1HD ARG 87 7.092 -1.020 -12.605 672 1HH1 ARG 87 2HH1 ARG 87 9.753 -0.896 -12.107 673 2HH1 ARG 87 1HH1 ARG 87 11.164 -0.791 -13.106 674 1HH2 ARG 87 1HH2 ARG 87 9.590 1.039 -15.636 675 2HH2 ARG 87 2HH2 ARG 87 11.072 0.310 -15.112 676 H ARG 87 H ARG 87 7.255 0.406 -9.253 677 HA ARG 87 HA ARG 87 4.783 1.879 -9.875 678 HE ARG 87 HE ARG 87 7.740 0.894 -14.315 679 1HB TRP 88 2HB TRP 88 3.923 1.084 -5.368 680 2HB TRP 88 1HB TRP 88 2.946 -0.257 -4.785 681 H TRP 88 H TRP 88 3.815 1.634 -7.865 682 HA TRP 88 HA TRP 88 3.012 -1.122 -7.205 683 HD1 TRP 88 HD1 TRP 88 6.345 0.702 -4.731 684 HE1 TRP 88 HE1 TRP 88 7.950 -1.308 -4.642 685 HE3 TRP 88 HE3 TRP 88 3.117 -2.976 -6.201 686 HZ2 TRP 88 HZ2 TRP 88 7.855 -4.089 -5.125 687 HZ3 TRP 88 HZ3 TRP 88 3.956 -5.284 -6.365 688 HH2 TRP 88 HH2 TRP 88 6.277 -5.827 -5.840 689 1HB ASP 89 2HB ASP 89 -0.791 -0.853 -4.258 690 2HB ASP 89 1HB ASP 89 -2.213 0.088 -4.702 691 H ASP 89 H ASP 89 1.505 0.068 -4.901 692 HA ASP 89 HA ASP 89 -0.723 1.272 -6.403 693 H ALA 90 H ALA 90 -2.050 1.177 -3.580 694 HA ALA 90 HA ALA 90 -0.542 3.035 -2.023 695 1HB ALA 90 1HB ALA 90 -1.145 4.683 -3.575 696 2HB ALA 90 2HB ALA 90 -2.286 4.880 -2.242 697 3HB ALA 90 3HB ALA 90 -2.792 4.066 -3.723 698 1HB TYR 91 2HB TYR 91 -0.940 1.546 1.964 699 2HB TYR 91 1HB TYR 91 -2.346 1.251 2.969 700 H TYR 91 H TYR 91 -1.017 2.475 -0.021 701 HA TYR 91 HA TYR 91 -3.519 1.172 0.592 702 HD1 TYR 91 HD1 TYR 91 -3.892 -0.707 1.612 703 HD2 TYR 91 HD2 TYR 91 0.344 -0.354 1.767 704 HE1 TYR 91 HE1 TYR 91 -3.683 -3.116 1.173 705 HE2 TYR 91 HE2 TYR 91 0.567 -2.761 1.323 706 HH TYR 91 HH TYR 91 -1.715 -4.928 1.739 707 1HB CYS 92 2HB CYS 92 -6.694 4.033 -0.011 708 2HB CYS 92 1HB CYS 92 -7.329 5.167 1.175 709 H CYS 92 H CYS 92 -4.741 3.161 0.071 710 HA CYS 92 HA CYS 92 -4.620 5.564 1.377 711 1HB TYR 93 2HB TYR 93 -4.591 4.659 5.552 712 2HB TYR 93 1HB TYR 93 -4.676 6.393 5.857 713 H TYR 93 H TYR 93 -5.926 6.471 3.095 714 HA TYR 93 HA TYR 93 -7.059 4.702 5.070 715 HD1 TYR 93 HD1 TYR 93 -6.960 6.846 7.467 716 HD2 TYR 93 HD2 TYR 93 -4.360 3.476 7.514 717 HE1 TYR 93 HE1 TYR 93 -7.582 6.408 9.804 718 HE2 TYR 93 HE2 TYR 93 -4.978 3.027 9.851 719 HH TYR 93 HH TYR 93 -7.041 3.562 11.348 720 1HB ASN 94 2HB ASN 94 -9.492 7.864 4.118 721 2HB ASN 94 1HB ASN 94 -10.906 8.388 5.027 722 1HD2 ASN 94 2HD2 ASN 94 -11.168 10.366 4.174 723 2HD2 ASN 94 1HD2 ASN 94 -10.012 11.646 4.297 724 H ASN 94 H ASN 94 -8.693 5.701 6.071 725 HA ASN 94 HA ASN 94 -8.680 8.441 6.795 726 1HB PRO 95 2HB PRO 95 -12.090 8.515 11.069 727 2HB PRO 95 1HB PRO 95 -10.657 7.491 11.218 728 1HG PRO 95 2HG PRO 95 -10.958 10.149 9.879 729 2HG PRO 95 1HG PRO 95 -9.637 9.553 10.899 730 1HD PRO 95 2HD PRO 95 -9.473 9.629 8.201 731 2HD PRO 95 1HD PRO 95 -8.666 8.380 9.169 732 HA PRO 95 HA PRO 95 -11.606 6.369 9.456 733 1HB HIS 96 2HB HIS 96 -13.776 11.040 7.861 734 2HB HIS 96 1HB HIS 96 -13.497 10.866 6.131 735 H HIS 96 H HIS 96 -12.128 8.781 7.200 736 HA HIS 96 HA HIS 96 -15.020 8.832 7.764 737 HD1 HIS 96 HD1 HIS 96 -14.906 13.046 5.761 738 HD2 HIS 96 HD2 HIS 96 -17.014 9.857 7.391 739 HE1 HIS 96 HE1 HIS 96 -17.334 13.653 5.521 740 HE2 HIS 96 HE2 HIS 96 -18.588 11.751 6.597 741 H ALA 97 H ALA 97 -12.595 7.802 5.633 742 HA ALA 97 HA ALA 97 -14.275 7.739 3.273 743 1HB ALA 97 3HB ALA 97 -11.470 6.800 3.827 744 2HB ALA 97 1HB ALA 97 -11.992 8.161 2.832 745 3HB ALA 97 2HB ALA 97 -12.291 6.508 2.293 746 1HB LYS 98 2HB LYS 98 -16.872 5.371 6.439 747 2HB LYS 98 1HB LYS 98 -17.894 4.210 5.600 748 1HG LYS 98 2HG LYS 98 -16.343 2.435 6.652 749 2HG LYS 98 1HG LYS 98 -15.868 3.736 7.746 750 1HD LYS 98 2HD LYS 98 -18.321 4.075 8.223 751 2HD LYS 98 1HD LYS 98 -18.617 2.576 7.340 752 1HE LYS 98 2HE LYS 98 -16.911 1.520 8.927 753 2HE LYS 98 1HE LYS 98 -17.111 2.974 9.906 754 H LYS 98 H LYS 98 -15.730 6.422 4.980 755 HA LYS 98 HA LYS 98 -15.110 3.619 5.127 756 1HZ LYS 98 2HZ LYS 98 -19.602 2.418 9.728 757 2HZ LYS 98 1HZ LYS 98 -19.080 0.866 9.303 758 3HZ LYS 98 3HZ LYS 98 -18.647 1.525 10.801 No H/Q in entry = 758 Start of MODEL 10 1 1HA GLY 1 2HA GLY 1 -10.277 1.993 8.192 2 2HA GLY 1 1HA GLY 1 -9.160 3.010 9.089 3 H1 GLY 1 2H GLY 1 -10.753 4.566 7.325 4 H2 GLY 1 1H GLY 1 -11.729 3.637 8.347 5 H3 GLY 1 3H GLY 1 -10.579 4.689 9.003 6 H VAL 2 H VAL 2 -7.660 1.614 7.749 7 HA VAL 2 HA VAL 2 -6.788 3.189 5.477 8 HB VAL 2 HB VAL 2 -4.974 2.606 6.803 9 1HG1 VAL 2 3HG1 VAL 2 -6.594 0.460 7.609 10 2HG1 VAL 2 2HG1 VAL 2 -5.103 -0.252 6.991 11 3HG1 VAL 2 1HG1 VAL 2 -5.037 0.951 8.281 12 1HG2 VAL 2 3HG2 VAL 2 -5.049 1.671 4.243 13 2HG2 VAL 2 2HG2 VAL 2 -3.609 1.717 5.261 14 3HG2 VAL 2 1HG2 VAL 2 -4.555 0.233 5.137 15 1HB TYR 3 2HB TYR 3 -9.301 0.990 0.878 16 2HB TYR 3 1HB TYR 3 -9.947 1.073 2.507 17 H TYR 3 H TYR 3 -7.175 2.709 3.418 18 HA TYR 3 HA TYR 3 -7.917 -0.059 2.758 19 HD1 TYR 3 HD1 TYR 3 -8.717 3.356 3.726 20 HD2 TYR 3 HD2 TYR 3 -9.915 2.840 -0.322 21 HE1 TYR 3 HE1 TYR 3 -8.965 5.794 3.494 22 HE2 TYR 3 HE2 TYR 3 -10.161 5.272 -0.568 23 HH TYR 3 HH TYR 3 -10.529 7.238 0.844 24 1HB HIS 4 2HB HIS 4 -4.811 -1.706 0.405 25 2HB HIS 4 1HB HIS 4 -5.928 -2.256 -0.828 26 H HIS 4 H HIS 4 -7.440 -0.742 0.620 27 HA HIS 4 HA HIS 4 -5.068 0.611 -0.463 28 HD1 HIS 4 HD1 HIS 4 -2.412 -1.161 -0.329 29 HD2 HIS 4 HD2 HIS 4 -4.899 -2.282 -3.460 30 HE1 HIS 4 HE1 HIS 4 -0.887 -1.575 -2.283 31 HE2 HIS 4 HE2 HIS 4 -2.409 -2.329 -4.143 32 1HB ARG 5 2HB ARG 5 -6.440 3.482 -3.723 33 2HB ARG 5 1HB ARG 5 -7.555 2.971 -4.980 34 1HG ARG 5 2HG ARG 5 -8.160 2.136 -2.205 35 2HG ARG 5 1HG ARG 5 -8.375 3.838 -2.616 36 1HD ARG 5 2HD ARG 5 -9.526 2.540 -4.746 37 2HD ARG 5 1HD ARG 5 -9.955 1.510 -3.383 38 1HH1 ARG 5 1HH1 ARG 5 -11.626 1.110 -3.307 39 2HH1 ARG 5 2HH1 ARG 5 -13.235 1.529 -2.824 40 1HH2 ARG 5 2HH2 ARG 5 -12.591 4.959 -2.614 41 2HH2 ARG 5 1HH2 ARG 5 -13.784 3.716 -2.430 42 H ARG 5 H ARG 5 -5.164 1.509 -2.407 43 HA ARG 5 HA ARG 5 -7.246 0.622 -4.283 44 HE ARG 5 HE ARG 5 -10.474 4.396 -3.253 45 1HB GLU 6 2HB GLU 6 -4.274 -0.182 -8.930 46 2HB GLU 6 1HB GLU 6 -5.408 -0.798 -7.737 47 1HG GLU 6 2HG GLU 6 -6.167 1.193 -9.851 48 2HG GLU 6 1HG GLU 6 -6.305 -0.552 -10.062 49 H GLU 6 H GLU 6 -6.790 1.237 -6.540 50 HA GLU 6 HA GLU 6 -3.894 1.174 -7.069 51 H ALA 7 H ALA 7 -3.900 1.698 -9.743 52 HA ALA 7 HA ALA 7 -4.346 4.557 -9.751 53 1HB ALA 7 1HB ALA 7 -2.666 4.614 -11.214 54 2HB ALA 7 3HB ALA 7 -2.472 2.885 -10.922 55 3HB ALA 7 2HB ALA 7 -3.455 3.448 -12.275 56 1HB ARG 8 2HB ARG 8 -6.715 7.086 -12.798 57 2HB ARG 8 1HB ARG 8 -8.324 6.655 -13.359 58 1HG ARG 8 2HG ARG 8 -9.278 6.964 -11.296 59 2HG ARG 8 1HG ARG 8 -7.768 6.670 -10.434 60 1HD ARG 8 2HD ARG 8 -8.509 9.124 -12.017 61 2HD ARG 8 1HD ARG 8 -8.324 9.004 -10.269 62 1HH1 ARG 8 2HH1 ARG 8 -7.829 11.012 -10.663 63 2HH1 ARG 8 1HH1 ARG 8 -6.470 12.083 -10.601 64 1HH2 ARG 8 1HH2 ARG 8 -4.141 9.648 -11.536 65 2HH2 ARG 8 2HH2 ARG 8 -4.372 11.307 -11.097 66 H ARG 8 H ARG 8 -5.539 5.684 -11.363 67 HA ARG 8 HA ARG 8 -8.073 4.550 -11.913 68 HE ARG 8 HE ARG 8 -5.938 8.246 -11.613 69 1HB SER 9 2HB SER 9 -4.101 3.820 -17.040 70 2HB SER 9 1HB SER 9 -4.334 5.254 -16.041 71 H SER 9 H SER 9 -5.101 4.368 -13.545 72 HA SER 9 HA SER 9 -6.348 3.789 -16.126 73 HG SER 9 HG SER 9 -2.317 4.092 -15.706 74 1HA GLY 10 2HA GLY 10 -4.489 -0.277 -14.727 75 2HA GLY 10 1HA GLY 10 -6.011 -0.302 -13.846 76 H GLY 10 H GLY 10 -5.145 2.197 -13.362 77 1HB LYS 11 2HB LYS 11 -4.615 -3.686 -11.081 78 2HB LYS 11 1HB LYS 11 -2.944 -3.838 -11.610 79 1HG LYS 11 2HG LYS 11 -2.743 -4.826 -9.588 80 2HG LYS 11 1HG LYS 11 -2.501 -3.154 -9.075 81 1HD LYS 11 2HD LYS 11 -4.078 -3.929 -7.560 82 2HD LYS 11 1HD LYS 11 -5.071 -3.125 -8.778 83 1HE LYS 11 2HE LYS 11 -5.234 -5.438 -9.881 84 2HE LYS 11 1HE LYS 11 -4.645 -6.061 -8.340 85 H LYS 11 H LYS 11 -4.622 -2.111 -12.836 86 HA LYS 11 HA LYS 11 -4.000 -1.382 -10.211 87 1HZ LYS 11 3HZ LYS 11 -6.890 -4.203 -8.245 88 2HZ LYS 11 2HZ LYS 11 -7.206 -5.749 -8.852 89 3HZ LYS 11 1HZ LYS 11 -6.572 -5.567 -7.295 90 1HB TYR 12 2HB TYR 12 0.646 -2.144 -11.147 91 2HB TYR 12 1HB TYR 12 1.845 -1.480 -10.042 92 H TYR 12 H TYR 12 -2.057 -1.163 -9.098 93 HA TYR 12 HA TYR 12 0.049 -0.356 -8.780 94 HD1 TYR 12 HD1 TYR 12 1.232 -1.994 -7.451 95 HD2 TYR 12 HD2 TYR 12 0.051 -4.337 -10.801 96 HE1 TYR 12 HE1 TYR 12 0.980 -3.950 -5.984 97 HE2 TYR 12 HE2 TYR 12 -0.210 -6.300 -9.343 98 HH TYR 12 HH TYR 12 -0.683 -6.650 -6.791 99 1HB LYS 13 2HB LYS 13 -0.031 2.206 -13.042 100 2HB LYS 13 1HB LYS 13 1.389 2.325 -14.070 101 1HG LYS 13 2HG LYS 13 1.199 -0.373 -13.344 102 2HG LYS 13 1HG LYS 13 -0.441 0.146 -13.741 103 1HD LYS 13 2HD LYS 13 0.839 1.271 -15.787 104 2HD LYS 13 1HD LYS 13 1.963 -0.052 -15.467 105 1HE LYS 13 2HE LYS 13 0.389 -1.680 -15.952 106 2HE LYS 13 1HE LYS 13 -0.970 -0.594 -15.663 107 H LYS 13 H LYS 13 2.072 -0.026 -10.886 108 HA LYS 13 HA LYS 13 2.821 1.520 -12.375 109 1HZ LYS 13 3HZ LYS 13 0.907 -0.233 -17.926 110 2HZ LYS 13 2HZ LYS 13 -0.499 -1.166 -18.048 111 3HZ LYS 13 1HZ LYS 13 -0.609 0.487 -17.706 112 1HB LEU 14 2HB LEU 14 0.667 3.188 -7.630 113 2HB LEU 14 1HB LEU 14 0.624 4.927 -7.456 114 H LEU 14 H LEU 14 1.527 2.172 -9.581 115 HA LEU 14 HA LEU 14 1.250 5.063 -9.910 116 HG LEU 14 HG LEU 14 -1.022 3.690 -9.608 117 1HD1 LEU 14 2HD1 LEU 14 -1.295 3.134 -6.756 118 2HD1 LEU 14 1HD1 LEU 14 -2.752 3.808 -7.488 119 3HD1 LEU 14 3HD1 LEU 14 -2.034 2.337 -8.146 120 1HD2 LEU 14 1HD2 LEU 14 -0.755 6.230 -8.296 121 2HD2 LEU 14 3HD2 LEU 14 -1.680 5.806 -9.736 122 3HD2 LEU 14 2HD2 LEU 14 -2.407 5.632 -8.139 123 H THR 15 H THR 15 2.460 6.531 -8.671 124 HA THR 15 HA THR 15 5.069 5.483 -7.806 125 HB THR 15 HB THR 15 5.981 7.690 -8.177 126 HG1 THR 15 HG1 THR 15 4.596 9.368 -8.971 127 1HG2 THR 15 1HG2 THR 15 5.814 6.230 -10.138 128 2HG2 THR 15 3HG2 THR 15 4.216 6.886 -10.494 129 3HG2 THR 15 2HG2 THR 15 5.638 7.925 -10.591 130 1HB TYR 16 2HB TYR 16 6.869 7.563 -3.824 131 2HB TYR 16 1HB TYR 16 6.732 9.154 -4.566 132 H TYR 16 H TYR 16 5.804 7.850 -6.372 133 HA TYR 16 HA TYR 16 4.467 7.272 -3.874 134 HD1 TYR 16 HD1 TYR 16 5.100 7.462 -1.651 135 HD2 TYR 16 HD2 TYR 16 7.236 10.848 -3.095 136 HE1 TYR 16 HE1 TYR 16 4.980 8.482 0.579 137 HE2 TYR 16 HE2 TYR 16 7.118 11.879 -0.866 138 HH TYR 16 HH TYR 16 6.630 11.515 1.309 139 H ALA 17 H ALA 17 5.197 10.283 -5.627 140 HA ALA 17 HA ALA 17 3.421 11.906 -4.183 141 1HB ALA 17 3HB ALA 17 5.291 12.714 -5.608 142 2HB ALA 17 2HB ALA 17 4.325 12.311 -7.028 143 3HB ALA 17 1HB ALA 17 3.764 13.548 -5.902 144 1HB GLU 18 2HB GLU 18 1.903 8.324 -8.331 145 2HB GLU 18 1HB GLU 18 0.242 8.548 -8.865 146 1HG GLU 18 2HG GLU 18 0.812 10.365 -10.235 147 2HG GLU 18 1HG GLU 18 2.394 10.543 -9.477 148 H GLU 18 H GLU 18 2.948 9.808 -6.934 149 HA GLU 18 HA GLU 18 0.395 10.847 -7.689 150 H ALA 19 H ALA 19 1.408 7.877 -6.021 151 HA ALA 19 HA ALA 19 -1.052 6.822 -5.394 152 1HB ALA 19 2HB ALA 19 0.400 5.323 -4.619 153 2HB ALA 19 3HB ALA 19 0.494 6.300 -3.153 154 3HB ALA 19 1HB ALA 19 1.667 6.540 -4.449 155 1HB LYS 20 2HB LYS 20 1.411 10.613 -1.947 156 2HB LYS 20 1HB LYS 20 0.532 11.913 -2.734 157 1HG LYS 20 2HG LYS 20 -0.791 12.012 -0.496 158 2HG LYS 20 1HG LYS 20 0.612 11.158 0.151 159 1HD LYS 20 2HD LYS 20 2.075 12.923 -0.426 160 2HD LYS 20 1HD LYS 20 0.858 13.696 -1.445 161 1HE LYS 20 2HE LYS 20 0.075 14.857 0.279 162 2HE LYS 20 1HE LYS 20 -0.152 13.385 1.221 163 H LYS 20 H LYS 20 0.722 9.384 -3.755 164 HA LYS 20 HA LYS 20 -0.907 9.590 -1.486 165 1HZ LYS 20 3HZ LYS 20 2.595 14.159 1.060 166 2HZ LYS 20 2HZ LYS 20 1.639 15.370 1.751 167 3HZ LYS 20 1HZ LYS 20 1.651 13.818 2.422 168 H ALA 21 H ALA 21 -0.872 11.474 -4.499 169 HA ALA 21 HA ALA 21 -3.089 13.090 -3.908 170 1HB ALA 21 1HB ALA 21 -3.237 13.232 -6.489 171 2HB ALA 21 2HB ALA 21 -1.755 12.275 -6.461 172 3HB ALA 21 3HB ALA 21 -1.801 13.855 -5.678 173 H VAL 22 H VAL 22 -2.867 9.961 -5.550 174 HA VAL 22 HA VAL 22 -5.496 9.689 -6.393 175 HB VAL 22 HB VAL 22 -3.284 7.834 -5.757 176 1HG1 VAL 22 3HG1 VAL 22 -6.138 6.883 -5.906 177 2HG1 VAL 22 2HG1 VAL 22 -4.710 5.848 -5.956 178 3HG1 VAL 22 1HG1 VAL 22 -5.070 6.786 -4.506 179 1HG2 VAL 22 1HG2 VAL 22 -3.644 8.731 -7.998 180 2HG2 VAL 22 3HG2 VAL 22 -3.819 6.976 -7.975 181 3HG2 VAL 22 2HG2 VAL 22 -5.251 8.003 -8.036 182 1HB CYS 23 2HB CYS 23 -3.672 8.973 -1.144 183 2HB CYS 23 1HB CYS 23 -4.941 8.857 0.069 184 H CYS 23 H CYS 23 -4.023 9.079 -3.263 185 HA CYS 23 HA CYS 23 -6.303 7.910 -2.036 186 1HB GLU 24 2HB GLU 24 -4.394 13.085 -1.318 187 2HB GLU 24 1HB GLU 24 -5.644 14.228 -1.788 188 1HG GLU 24 2HG GLU 24 -6.187 14.521 0.622 189 2HG GLU 24 1HG GLU 24 -4.797 13.506 1.007 190 H GLU 24 H GLU 24 -4.787 11.084 -1.565 191 HA GLU 24 HA GLU 24 -6.777 12.258 -0.037 192 1HB PHE 25 2HB PHE 25 -7.208 12.584 -5.674 193 2HB PHE 25 1HB PHE 25 -7.866 10.953 -5.614 194 H PHE 25 H PHE 25 -6.893 11.365 -3.310 195 HA PHE 25 HA PHE 25 -8.934 13.301 -4.034 196 HD1 PHE 25 HD1 PHE 25 -8.628 14.441 -6.561 197 HD2 PHE 25 HD2 PHE 25 -9.750 10.349 -6.886 198 HE1 PHE 25 HE1 PHE 25 -10.226 15.025 -8.338 199 HE2 PHE 25 HE2 PHE 25 -11.350 10.924 -8.665 200 HZ PHE 25 HZ PHE 25 -11.589 13.266 -9.393 201 1HB GLU 26 2HB GLU 26 -9.160 7.737 -2.831 202 2HB GLU 26 1HB GLU 26 -10.806 7.146 -2.659 203 1HG GLU 26 2HG GLU 26 -10.769 8.113 -5.227 204 2HG GLU 26 1HG GLU 26 -9.158 7.424 -5.036 205 H GLU 26 H GLU 26 -8.667 9.945 -3.093 206 HA GLU 26 HA GLU 26 -11.485 9.451 -3.640 207 1HA GLY 27 1HA GLY 27 -12.164 10.452 0.599 208 2HA GLY 27 2HA GLY 27 -11.056 11.813 0.678 209 H GLY 27 H GLY 27 -10.180 11.163 -1.372 210 1HA GLY 28 2HA GLY 28 -8.155 8.612 2.271 211 2HA GLY 28 1HA GLY 28 -8.327 9.938 3.416 212 H GLY 28 H GLY 28 -8.676 11.049 0.903 213 1HB HIS 29 2HB HIS 29 -2.744 10.738 3.614 214 2HB HIS 29 1HB HIS 29 -4.182 11.697 3.277 215 H HIS 29 H HIS 29 -5.949 8.638 3.305 216 HA HIS 29 HA HIS 29 -4.149 10.099 1.558 217 HD1 HIS 29 HD1 HIS 29 -5.972 11.772 5.048 218 HD2 HIS 29 HD2 HIS 29 -3.034 8.942 5.838 219 HE1 HIS 29 HE1 HIS 29 -6.420 10.973 7.390 220 HE2 HIS 29 HE2 HIS 29 -4.687 9.194 7.811 221 1HB LEU 30 2HB LEU 30 0.494 8.675 2.366 222 2HB LEU 30 1HB LEU 30 0.810 6.995 1.994 223 H LEU 30 H LEU 30 -1.812 9.417 2.035 224 HA LEU 30 HA LEU 30 -1.647 6.613 1.841 225 HG LEU 30 HG LEU 30 -0.373 9.088 0.182 226 1HD1 LEU 30 2HD1 LEU 30 2.089 8.982 0.402 227 2HD1 LEU 30 1HD1 LEU 30 2.037 7.303 -0.134 228 3HD1 LEU 30 3HD1 LEU 30 1.521 8.592 -1.222 229 1HD2 LEU 30 3HD2 LEU 30 -1.147 6.420 0.248 230 2HD2 LEU 30 2HD2 LEU 30 -1.376 7.559 -1.078 231 3HD2 LEU 30 1HD2 LEU 30 0.043 6.512 -1.051 232 H ALA 31 H ALA 31 -2.122 5.308 3.494 233 HA ALA 31 HA ALA 31 -2.030 5.958 6.204 234 1HB ALA 31 1HB ALA 31 -2.234 3.423 4.675 235 2HB ALA 31 3HB ALA 31 -1.871 3.332 6.400 236 3HB ALA 31 2HB ALA 31 -3.344 4.132 5.848 237 H THR 32 H THR 32 -0.718 3.919 7.491 238 HA THR 32 HA THR 32 2.120 4.360 6.851 239 HB THR 32 HB THR 32 2.636 5.189 8.872 240 HG1 THR 32 HG1 THR 32 1.341 4.388 10.803 241 1HG2 THR 32 2HG2 THR 32 0.243 6.189 8.086 242 2HG2 THR 32 1HG2 THR 32 -0.151 5.624 9.709 243 3HG2 THR 32 3HG2 THR 32 1.156 6.784 9.472 244 1HB TYR 33 2HB TYR 33 5.205 1.274 7.970 245 2HB TYR 33 1HB TYR 33 4.852 0.860 9.641 246 H TYR 33 H TYR 33 3.551 2.813 8.099 247 HA TYR 33 HA TYR 33 2.913 0.175 7.451 248 HD1 TYR 33 HD1 TYR 33 5.564 -0.507 6.299 249 HD2 TYR 33 HD2 TYR 33 4.967 -1.405 10.414 250 HE1 TYR 33 HE1 TYR 33 6.450 -2.768 5.928 251 HE2 TYR 33 HE2 TYR 33 5.852 -3.670 10.054 252 HH TYR 33 HH TYR 33 6.685 -5.111 8.591 253 1HB LYS 34 2HB LYS 34 2.619 2.307 12.604 254 2HB LYS 34 1HB LYS 34 0.938 2.111 13.076 255 1HG LYS 34 2HG LYS 34 1.455 0.933 14.909 256 2HG LYS 34 1HG LYS 34 2.744 0.040 14.099 257 1HD LYS 34 2HD LYS 34 4.288 1.817 14.403 258 2HD LYS 34 1HD LYS 34 3.013 2.927 14.907 259 1HE LYS 34 2HE LYS 34 2.812 0.786 16.669 260 2HE LYS 34 1HE LYS 34 4.547 1.036 16.472 261 H LYS 34 H LYS 34 2.930 1.768 10.625 262 HA LYS 34 HA LYS 34 2.093 -0.395 12.163 263 1HZ LYS 34 2HZ LYS 34 3.134 3.497 16.804 264 2HZ LYS 34 1HZ LYS 34 2.891 2.453 18.113 265 3HZ LYS 34 3HZ LYS 34 4.461 2.893 17.661 266 1HB GLN 35 2HB GLN 35 -1.633 2.550 8.760 267 2HB GLN 35 1HB GLN 35 -3.228 2.502 9.489 268 1HG GLN 35 2HG GLN 35 -2.315 3.771 11.423 269 2HG GLN 35 1HG GLN 35 -0.802 3.934 10.532 270 1HE2 GLN 35 1HE2 GLN 35 -3.170 5.735 11.442 271 2HE2 GLN 35 2HE2 GLN 35 -3.442 6.727 10.054 272 H GLN 35 H GLN 35 0.158 2.108 10.549 273 HA GLN 35 HA GLN 35 -2.358 1.231 11.383 274 1HB LEU 36 2HB LEU 36 0.475 -0.689 7.007 275 2HB LEU 36 1HB LEU 36 0.509 -2.430 7.192 276 H LEU 36 H LEU 36 -0.290 0.213 8.725 277 HA LEU 36 HA LEU 36 -2.194 -1.420 7.414 278 HG LEU 36 HG LEU 36 0.245 -1.410 4.823 279 1HD1 LEU 36 2HD1 LEU 36 -1.251 -3.696 6.018 280 2HD1 LEU 36 1HD1 LEU 36 -1.507 -3.282 4.323 281 3HD1 LEU 36 3HD1 LEU 36 0.108 -3.703 4.894 282 1HD2 LEU 36 2HD2 LEU 36 -1.923 -0.190 5.979 283 2HD2 LEU 36 1HD2 LEU 36 -1.653 -0.385 4.247 284 3HD2 LEU 36 3HD2 LEU 36 -2.651 -1.549 5.119 285 1HB GLU 37 2HB GLU 37 1.332 -3.264 11.659 286 2HB GLU 37 1HB GLU 37 -0.026 -2.635 12.574 287 1HG GLU 37 2HG GLU 37 0.779 -4.239 13.994 288 2HG GLU 37 1HG GLU 37 -0.474 -5.127 13.126 289 H GLU 37 H GLU 37 -0.140 -1.865 10.174 290 HA GLU 37 HA GLU 37 -0.212 -4.680 10.353 291 H ALA 38 H ALA 38 -2.084 -2.216 12.079 292 HA ALA 38 HA ALA 38 -3.879 -3.874 13.389 293 1HB ALA 38 2HB ALA 38 -3.647 -1.436 13.776 294 2HB ALA 38 3HB ALA 38 -5.324 -1.948 13.590 295 3HB ALA 38 1HB ALA 38 -4.494 -1.146 12.256 296 H ALA 39 H ALA 39 -3.772 -2.814 10.083 297 HA ALA 39 HA ALA 39 -6.419 -3.604 9.363 298 1HB ALA 39 1HB ALA 39 -4.026 -3.298 7.555 299 2HB ALA 39 2HB ALA 39 -5.040 -1.959 8.096 300 3HB ALA 39 3HB ALA 39 -5.727 -3.236 7.093 301 1HB ARG 40 2HB ARG 40 -1.660 -6.740 8.556 302 2HB ARG 40 1HB ARG 40 -1.909 -7.223 10.228 303 1HG ARG 40 2HG ARG 40 -2.089 -9.508 9.638 304 2HG ARG 40 1HG ARG 40 -2.197 -9.125 7.919 305 1HD ARG 40 2HD ARG 40 0.093 -8.302 7.941 306 2HD ARG 40 1HD ARG 40 0.207 -8.625 9.670 307 1HH1 ARG 40 1HH1 ARG 40 0.136 -9.941 10.939 308 2HH1 ARG 40 2HH1 ARG 40 0.660 -11.530 11.388 309 1HH2 ARG 40 2HH2 ARG 40 0.953 -12.677 8.098 310 2HH2 ARG 40 1HH2 ARG 40 1.124 -13.085 9.773 311 H ARG 40 H ARG 40 -3.323 -5.175 9.578 312 HA ARG 40 HA ARG 40 -3.994 -7.491 8.056 313 HE ARG 40 HE ARG 40 0.261 -10.583 7.518 314 1HB LYS 41 2HB LYS 41 -6.131 -6.500 13.448 315 2HB LYS 41 1HB LYS 41 -5.626 -7.861 14.440 316 1HG LYS 41 2HG LYS 41 -3.245 -7.258 13.745 317 2HG LYS 41 1HG LYS 41 -3.932 -5.732 13.183 318 1HD LYS 41 2HD LYS 41 -4.121 -4.937 15.262 319 2HD LYS 41 1HD LYS 41 -4.823 -6.443 15.859 320 1HE LYS 41 2HE LYS 41 -2.686 -5.890 16.956 321 2HE LYS 41 1HE LYS 41 -2.630 -7.424 16.088 322 H LYS 41 H LYS 41 -4.263 -6.570 11.421 323 HA LYS 41 HA LYS 41 -4.779 -9.041 12.574 324 1HZ LYS 41 3HZ LYS 41 -1.561 -6.237 14.232 325 2HZ LYS 41 2HZ LYS 41 -1.524 -4.827 15.165 326 3HZ LYS 41 1HZ LYS 41 -0.642 -6.186 15.651 327 1HG1 ILE 42 2HG1 ILE 42 -8.837 -5.234 8.703 328 2HG1 ILE 42 1HG1 ILE 42 -8.007 -6.763 8.427 329 H ILE 42 H ILE 42 -6.759 -7.096 10.521 330 HA ILE 42 HA ILE 42 -9.177 -8.576 11.241 331 HB ILE 42 HB ILE 42 -10.430 -6.992 10.076 332 1HG2 ILE 42 1HG2 ILE 42 -8.036 -5.562 11.215 333 2HG2 ILE 42 3HG2 ILE 42 -9.566 -4.786 10.807 334 3HG2 ILE 42 2HG2 ILE 42 -9.511 -6.017 12.069 335 1HD1 ILE 42 1HD1 ILE 42 -10.948 -6.614 8.006 336 2HD1 ILE 42 3HD1 ILE 42 -9.858 -5.942 6.793 337 3HD1 ILE 42 2HD1 ILE 42 -9.747 -7.647 7.232 338 1HA GLY 43 1HA GLY 43 -8.127 -10.633 7.386 339 2HA GLY 43 2HA GLY 43 -6.381 -10.598 7.600 340 H GLY 43 H GLY 43 -6.643 -8.657 8.992 341 1HB PHE 44 2HB PHE 44 -6.647 -5.555 6.288 342 2HB PHE 44 1HB PHE 44 -4.914 -5.736 6.046 343 H PHE 44 H PHE 44 -5.894 -7.911 7.125 344 HA PHE 44 HA PHE 44 -6.973 -7.307 4.490 345 HD1 PHE 44 HD1 PHE 44 -7.177 -6.026 3.212 346 HD2 PHE 44 HD2 PHE 44 -4.714 -3.384 5.458 347 HE1 PHE 44 HE1 PHE 44 -7.274 -4.385 1.380 348 HE2 PHE 44 HE2 PHE 44 -4.807 -1.737 3.633 349 HZ PHE 44 HZ PHE 44 -6.090 -2.237 1.591 350 1HB HIS 45 2HB HIS 45 -3.337 -11.143 3.561 351 2HB HIS 45 1HB HIS 45 -5.029 -11.186 3.083 352 H HIS 45 H HIS 45 -6.016 -9.139 3.422 353 HA HIS 45 HA HIS 45 -3.107 -8.947 3.039 354 HD1 HIS 45 HD1 HIS 45 -5.509 -12.467 1.025 355 HD2 HIS 45 HD2 HIS 45 -1.555 -11.203 1.171 356 HE1 HIS 45 HE1 HIS 45 -4.396 -13.499 -0.977 357 HE2 HIS 45 HE2 HIS 45 -1.992 -12.764 -0.840 358 H VAL 46 H VAL 46 -2.274 -8.391 1.139 359 HA VAL 46 HA VAL 46 -3.658 -8.755 -1.346 360 HB VAL 46 HB VAL 46 -4.772 -6.805 -1.317 361 1HG1 VAL 46 2HG1 VAL 46 -3.545 -6.586 1.179 362 2HG1 VAL 46 1HG1 VAL 46 -3.231 -5.051 0.369 363 3HG1 VAL 46 3HG1 VAL 46 -4.887 -5.624 0.560 364 1HG2 VAL 46 1HG2 VAL 46 -3.008 -6.305 -2.917 365 2HG2 VAL 46 3HG2 VAL 46 -3.515 -4.845 -2.068 366 3HG2 VAL 46 2HG2 VAL 46 -2.006 -5.644 -1.625 367 1HB CYS 47 2HB CYS 47 0.000 -9.535 -4.998 368 2HB CYS 47 1HB CYS 47 0.928 -10.463 -3.823 369 H CYS 47 H CYS 47 -2.144 -9.238 -2.796 370 HA CYS 47 HA CYS 47 0.622 -8.939 -2.207 371 H ALA 48 H ALA 48 -1.249 -6.519 -2.819 372 HA ALA 48 HA ALA 48 0.454 -5.256 -4.852 373 1HB ALA 48 3HB ALA 48 -2.142 -5.320 -4.999 374 2HB ALA 48 1HB ALA 48 -1.282 -3.833 -5.397 375 3HB ALA 48 2HB ALA 48 -2.060 -4.009 -3.823 376 H ALA 49 H ALA 49 2.007 -3.968 -4.157 377 HA ALA 49 HA ALA 49 2.255 -3.211 -1.431 378 1HB ALA 49 2HB ALA 49 4.367 -3.139 -2.103 379 2HB ALA 49 1HB ALA 49 3.879 -3.145 -3.798 380 3HB ALA 49 3HB ALA 49 4.003 -1.620 -2.922 381 1HA GLY 50 2HA GLY 50 -0.284 0.197 -0.352 382 2HA GLY 50 1HA GLY 50 0.076 0.557 -2.033 383 H GLY 50 H GLY 50 1.260 -1.588 -0.436 384 1HB TRP 51 2HB TRP 51 1.512 4.638 -2.703 385 2HB TRP 51 1HB TRP 51 2.889 5.459 -1.974 386 H TRP 51 H TRP 51 1.127 2.392 -2.336 387 HA TRP 51 HA TRP 51 3.503 3.110 -1.050 388 HD1 TRP 51 HD1 TRP 51 1.951 3.163 -4.829 389 HE1 TRP 51 HE1 TRP 51 4.025 2.761 -6.313 390 HE3 TRP 51 HE3 TRP 51 5.519 5.287 -1.840 391 HZ2 TRP 51 HZ2 TRP 51 6.796 3.283 -6.225 392 HZ3 TRP 51 HZ3 TRP 51 7.855 5.295 -2.615 393 HH2 TRP 51 HH2 TRP 51 8.478 4.314 -4.762 394 1HB MET 52 2HB MET 52 2.267 4.147 4.383 395 2HB MET 52 1HB MET 52 1.114 3.583 3.182 396 1HG MET 52 2HG MET 52 2.539 1.887 2.441 397 2HG MET 52 1HG MET 52 3.949 2.619 3.204 398 H MET 52 H MET 52 3.828 3.738 0.968 399 HA MET 52 HA MET 52 1.921 5.554 2.240 400 1HE MET 52 1HE MET 52 3.423 -0.383 3.414 401 2HE MET 52 3HE MET 52 4.709 0.309 4.404 402 3HE MET 52 2HE MET 52 3.520 -0.771 5.132 403 H ALA 53 H ALA 53 2.922 6.045 4.591 404 HA ALA 53 HA ALA 53 4.517 7.359 5.585 405 1HB ALA 53 1HB ALA 53 6.633 5.470 4.728 406 2HB ALA 53 2HB ALA 53 5.286 4.818 5.660 407 3HB ALA 53 3HB ALA 53 6.271 6.121 6.327 408 1HB LYS 54 2HB LYS 54 9.183 8.335 4.850 409 2HB LYS 54 1HB LYS 54 9.857 8.612 3.251 410 1HG LYS 54 2HG LYS 54 9.515 10.999 3.486 411 2HG LYS 54 1HG LYS 54 8.755 10.753 5.059 412 1HD LYS 54 2HD LYS 54 10.864 9.777 5.892 413 2HD LYS 54 1HD LYS 54 11.614 10.122 4.332 414 1HE LYS 54 2HE LYS 54 11.012 12.535 4.692 415 2HE LYS 54 1HE LYS 54 10.542 12.098 6.335 416 H LYS 54 H LYS 54 7.222 7.696 5.068 417 HA LYS 54 HA LYS 54 7.281 9.810 3.314 418 1HZ LYS 54 3HZ LYS 54 12.901 11.121 6.458 419 2HZ LYS 54 2HZ LYS 54 13.227 12.103 5.121 420 3HZ LYS 54 1HZ LYS 54 12.713 12.799 6.575 421 1HA GLY 55 1HA GLY 55 8.128 6.903 -0.146 422 2HA GLY 55 2HA GLY 55 6.413 6.537 -0.020 423 H GLY 55 H GLY 55 6.934 6.574 2.520 424 1HB ARG 56 2HB ARG 56 7.736 3.511 3.900 425 2HB ARG 56 1HB ARG 56 6.656 2.143 3.668 426 1HG ARG 56 2HG ARG 56 8.632 0.740 3.142 427 2HG ARG 56 1HG ARG 56 9.663 2.117 3.537 428 1HD ARG 56 2HD ARG 56 7.664 1.472 5.580 429 2HD ARG 56 1HD ARG 56 8.856 0.204 5.305 430 1HH1 ARG 56 2HH1 ARG 56 7.340 2.974 6.338 431 2HH1 ARG 56 1HH1 ARG 56 7.814 4.219 7.445 432 1HH2 ARG 56 1HH2 ARG 56 11.202 3.354 7.417 433 2HH2 ARG 56 2HH2 ARG 56 10.011 4.436 8.057 434 H ARG 56 H ARG 56 6.797 4.825 2.337 435 HA ARG 56 HA ARG 56 8.474 2.650 1.412 436 HE ARG 56 HE ARG 56 10.565 1.718 5.961 437 H VAL 57 H VAL 57 7.809 0.859 0.375 438 HA VAL 57 HA VAL 57 4.908 0.524 -0.023 439 HB VAL 57 HB VAL 57 5.169 0.095 -2.230 440 1HG1 VAL 57 1HG1 VAL 57 7.378 1.850 -1.360 441 2HG1 VAL 57 3HG1 VAL 57 7.459 1.246 -3.016 442 3HG1 VAL 57 2HG1 VAL 57 6.051 2.162 -2.479 443 1HG2 VAL 57 3HG2 VAL 57 7.843 -1.115 -1.559 444 2HG2 VAL 57 2HG2 VAL 57 6.366 -1.950 -2.042 445 3HG2 VAL 57 1HG2 VAL 57 7.235 -0.949 -3.206 446 1HA GLY 58 2HA GLY 58 4.998 -3.323 1.945 447 2HA GLY 58 1HA GLY 58 5.610 -3.868 0.392 448 H GLY 58 H GLY 58 4.018 -1.497 0.154 449 1HB TYR 59 2HB TYR 59 1.608 -7.437 -1.125 450 2HB TYR 59 1HB TYR 59 1.865 -5.790 -1.693 451 H TYR 59 H TYR 59 4.324 -5.785 0.866 452 HA TYR 59 HA TYR 59 1.439 -5.421 0.549 453 HD1 TYR 59 HD1 TYR 59 4.320 -4.962 -1.788 454 HD2 TYR 59 HD2 TYR 59 3.226 -9.073 -1.520 455 HE1 TYR 59 HE1 TYR 59 6.530 -5.602 -2.656 456 HE2 TYR 59 HE2 TYR 59 5.433 -9.718 -2.391 457 HH TYR 59 HH TYR 59 7.239 -8.704 -3.769 458 1HB PRO 60 2HB PRO 60 -0.582 -8.299 4.717 459 2HB PRO 60 1HB PRO 60 0.713 -7.206 5.207 460 1HG PRO 60 2HG PRO 60 -1.438 -6.808 3.177 461 2HG PRO 60 1HG PRO 60 -0.771 -5.656 4.347 462 1HD PRO 60 1HD PRO 60 -0.080 -5.660 1.722 463 2HD PRO 60 2HD PRO 60 1.027 -5.147 3.010 464 HA PRO 60 HA PRO 60 1.988 -8.506 3.820 465 1HG1 ILE 61 2HG1 ILE 61 3.017 -10.582 0.862 466 2HG1 ILE 61 1HG1 ILE 61 3.149 -11.608 -0.562 467 H ILE 61 H ILE 61 2.153 -10.401 2.692 468 HA ILE 61 HA ILE 61 -0.191 -11.439 1.300 469 HB ILE 61 HB ILE 61 2.437 -12.869 1.452 470 1HG2 ILE 61 2HG2 ILE 61 -0.017 -13.253 0.106 471 2HG2 ILE 61 1HG2 ILE 61 1.192 -12.841 -1.110 472 3HG2 ILE 61 3HG2 ILE 61 1.460 -14.206 -0.026 473 1HD1 ILE 61 3HD1 ILE 61 0.559 -10.265 -0.165 474 2HD1 ILE 61 2HD1 ILE 61 1.933 -9.235 -0.568 475 3HD1 ILE 61 1HD1 ILE 61 1.479 -10.560 -1.641 476 H VAL 62 H VAL 62 -1.578 -12.161 2.851 477 HA VAL 62 HA VAL 62 -0.606 -13.987 4.909 478 HB VAL 62 HB VAL 62 -3.440 -13.035 4.503 479 1HG1 VAL 62 1HG1 VAL 62 -2.318 -14.951 6.204 480 2HG1 VAL 62 3HG1 VAL 62 -2.623 -13.539 7.215 481 3HG1 VAL 62 2HG1 VAL 62 -3.939 -14.260 6.289 482 1HG2 VAL 62 3HG2 VAL 62 -1.789 -11.156 4.774 483 2HG2 VAL 62 2HG2 VAL 62 -3.043 -11.241 6.010 484 3HG2 VAL 62 1HG2 VAL 62 -1.415 -11.815 6.367 485 1HB LYS 63 2HB LYS 63 -4.825 -14.963 1.792 486 2HB LYS 63 1HB LYS 63 -4.325 -15.258 0.134 487 1HG LYS 63 2HG LYS 63 -4.925 -17.637 1.783 488 2HG LYS 63 1HG LYS 63 -6.286 -16.613 1.322 489 1HD LYS 63 2HD LYS 63 -5.640 -16.805 -1.028 490 2HD LYS 63 1HD LYS 63 -4.269 -17.816 -0.572 491 1HE LYS 63 2HE LYS 63 -5.805 -19.489 0.335 492 2HE LYS 63 1HE LYS 63 -7.175 -18.480 -0.119 493 H LYS 63 H LYS 63 -2.442 -13.963 1.947 494 HA LYS 63 HA LYS 63 -2.984 -16.841 2.265 495 1HZ LYS 63 3HZ LYS 63 -5.498 -18.891 -2.354 496 2HZ LYS 63 2HZ LYS 63 -5.902 -20.385 -1.671 497 3HZ LYS 63 1HZ LYS 63 -7.123 -19.318 -2.152 498 1HB PRO 64 2HB PRO 64 1.445 -18.991 -0.242 499 2HB PRO 64 1HB PRO 64 1.901 -17.465 0.521 500 1HG PRO 64 2HG PRO 64 0.040 -19.589 1.490 501 2HG PRO 64 1HG PRO 64 1.226 -18.639 2.399 502 1HD PRO 64 2HD PRO 64 -1.427 -18.093 2.441 503 2HD PRO 64 1HD PRO 64 -0.188 -16.830 2.596 504 HA PRO 64 HA PRO 64 0.363 -16.573 -0.915 505 1HA GLY 65 2HA GLY 65 -1.545 -19.152 -3.806 506 2HA GLY 65 1HA GLY 65 -0.412 -20.405 -3.319 507 H GLY 65 H GLY 65 0.837 -18.022 -2.717 508 1HB PRO 66 2HB PRO 66 -0.319 -16.781 -8.671 509 2HB PRO 66 1HB PRO 66 -1.284 -18.252 -8.519 510 1HG PRO 66 2HG PRO 66 -1.238 -15.822 -6.770 511 2HG PRO 66 1HG PRO 66 -2.628 -16.764 -7.340 512 1HD PRO 66 2HD PRO 66 -1.545 -17.034 -4.847 513 2HD PRO 66 1HD PRO 66 -2.386 -18.346 -5.696 514 HA PRO 66 HA PRO 66 0.685 -19.053 -7.626 515 1HB ASN 67 2HB ASN 67 2.446 -15.062 -10.120 516 2HB ASN 67 1HB ASN 67 2.050 -13.707 -9.068 517 1HD2 ASN 67 1HD2 ASN 67 3.217 -12.063 -9.775 518 2HD2 ASN 67 2HD2 ASN 67 4.922 -12.084 -10.054 519 H ASN 67 H ASN 67 1.154 -16.385 -8.812 520 HA ASN 67 HA ASN 67 3.781 -15.968 -8.101 521 1HB CYS 68 2HB CYS 68 -0.301 -14.696 -4.565 522 2HB CYS 68 1HB CYS 68 0.097 -13.475 -3.360 523 H CYS 68 H CYS 68 0.927 -14.958 -6.474 524 HA CYS 68 HA CYS 68 1.898 -12.715 -5.082 525 1HA GLY 69 2HA GLY 69 2.814 -17.304 -2.467 526 2HA GLY 69 1HA GLY 69 2.779 -15.840 -1.493 527 H GLY 69 H GLY 69 1.555 -16.084 -3.953 528 1HB PHE 70 2HB PHE 70 6.012 -13.136 -1.126 529 2HB PHE 70 1HB PHE 70 7.645 -13.625 -0.689 530 H PHE 70 H PHE 70 4.663 -14.886 -1.070 531 HA PHE 70 HA PHE 70 6.884 -15.171 -2.942 532 HD1 PHE 70 HD1 PHE 70 5.550 -12.239 -3.378 533 HD2 PHE 70 HD2 PHE 70 9.506 -13.074 -2.050 534 HE1 PHE 70 HE1 PHE 70 6.450 -10.842 -5.191 535 HE2 PHE 70 HE2 PHE 70 10.413 -11.677 -3.861 536 HZ PHE 70 HZ PHE 70 8.884 -10.558 -5.435 537 1HA GLY 71 1HA GLY 71 8.409 -17.581 0.602 538 2HA GLY 71 2HA GLY 71 7.081 -18.709 0.346 539 H GLY 71 H GLY 71 5.715 -16.626 -0.140 540 1HB LYS 72 2HB LYS 72 7.766 -14.186 4.259 541 2HB LYS 72 1HB LYS 72 7.601 -15.106 5.750 542 1HG LYS 72 2HG LYS 72 9.510 -16.236 5.414 543 2HG LYS 72 1HG LYS 72 9.233 -16.394 3.678 544 1HD LYS 72 2HD LYS 72 10.396 -14.525 3.192 545 2HD LYS 72 1HD LYS 72 9.793 -13.662 4.608 546 1HE LYS 72 2HE LYS 72 12.059 -13.900 5.059 547 2HE LYS 72 1HE LYS 72 11.329 -15.234 5.951 548 H LYS 72 H LYS 72 7.495 -15.629 2.102 549 HA LYS 72 HA LYS 72 6.678 -16.988 4.565 550 1HZ LYS 72 1HZ LYS 72 12.174 -15.764 3.208 551 2HZ LYS 72 3HZ LYS 72 13.394 -15.572 4.365 552 3HZ LYS 72 2HZ LYS 72 12.218 -16.771 4.566 553 H THR 73 H THR 73 5.297 -15.660 6.080 554 HA THR 73 HA THR 73 3.121 -14.401 4.545 555 HB THR 73 HB THR 73 2.005 -15.009 6.976 556 HG1 THR 73 HG1 THR 73 4.012 -16.255 7.377 557 1HG2 THR 73 2HG2 THR 73 1.918 -16.049 4.249 558 2HG2 THR 73 1HG2 THR 73 1.439 -17.235 5.463 559 3HG2 THR 73 3HG2 THR 73 0.601 -15.687 5.364 560 1HA GLY 74 2HA GLY 74 4.024 -11.023 7.194 561 2HA GLY 74 1HA GLY 74 2.292 -10.799 6.975 562 H GLY 74 H GLY 74 2.705 -12.320 4.908 563 1HG1 ILE 75 1HG1 ILE 75 1.915 -5.443 5.244 564 2HG1 ILE 75 2HG1 ILE 75 1.747 -6.373 6.730 565 H ILE 75 H ILE 75 3.356 -8.507 6.990 566 HA ILE 75 HA ILE 75 2.967 -7.368 4.481 567 HB ILE 75 HB ILE 75 4.174 -6.385 7.024 568 1HG2 ILE 75 3HG2 ILE 75 4.323 -4.913 4.398 569 2HG2 ILE 75 2HG2 ILE 75 4.588 -4.176 5.978 570 3HG2 ILE 75 1HG2 ILE 75 5.676 -5.437 5.400 571 1HD1 ILE 75 3HD1 ILE 75 2.905 -4.401 7.870 572 2HD1 ILE 75 2HD1 ILE 75 2.545 -3.512 6.389 573 3HD1 ILE 75 1HD1 ILE 75 1.233 -4.197 7.348 574 1HG1 ILE 76 1HG1 ILE 76 5.339 -9.978 2.588 575 2HG1 ILE 76 2HG1 ILE 76 4.319 -9.960 1.154 576 H ILE 76 H ILE 76 4.142 -7.527 2.710 577 HA ILE 76 HA ILE 76 6.991 -8.156 2.908 578 HB ILE 76 HB ILE 76 5.274 -8.069 0.430 579 1HG2 ILE 76 1HG2 ILE 76 7.771 -7.870 0.194 580 2HG2 ILE 76 3HG2 ILE 76 7.886 -9.495 0.869 581 3HG2 ILE 76 2HG2 ILE 76 7.035 -9.229 -0.653 582 1HD1 ILE 76 1HD1 ILE 76 7.114 -11.059 1.226 583 2HD1 ILE 76 3HD1 ILE 76 5.650 -12.024 1.420 584 3HD1 ILE 76 2HD1 ILE 76 5.952 -11.176 -0.096 585 1HB ASP 77 2HB ASP 77 6.550 -2.897 2.894 586 2HB ASP 77 1HB ASP 77 7.205 -3.795 4.259 587 H ASP 77 H ASP 77 7.747 -6.103 3.527 588 HA ASP 77 HA ASP 77 7.714 -4.115 1.353 589 1HB TYR 78 2HB TYR 78 11.290 -4.420 -0.639 590 2HB TYR 78 1HB TYR 78 12.764 -3.473 -0.453 591 H TYR 78 H TYR 78 9.641 -3.384 0.675 592 HA TYR 78 HA TYR 78 12.021 -4.301 2.142 593 HD1 TYR 78 HD1 TYR 78 14.479 -4.617 1.314 594 HD2 TYR 78 HD2 TYR 78 11.581 -6.667 -1.032 595 HE1 TYR 78 HE1 TYR 78 15.790 -6.687 1.515 596 HE2 TYR 78 HE2 TYR 78 12.884 -8.743 -0.836 597 HH TYR 78 HH TYR 78 14.576 -9.713 0.761 598 1HA GLY 79 2HA GLY 79 12.554 -0.071 3.100 599 2HA GLY 79 1HA GLY 79 10.846 0.353 3.135 600 H GLY 79 H GLY 79 10.464 -1.850 2.641 601 1HG1 ILE 80 1HG1 ILE 80 11.741 4.066 2.477 602 2HG1 ILE 80 2HG1 ILE 80 12.570 5.604 2.263 603 H ILE 80 H ILE 80 12.206 2.352 2.292 604 HA ILE 80 HA ILE 80 11.328 2.997 -0.220 605 HB ILE 80 HB ILE 80 13.858 4.076 1.019 606 1HG2 ILE 80 3HG2 ILE 80 12.183 4.848 -1.282 607 2HG2 ILE 80 2HG2 ILE 80 12.723 6.163 -0.237 608 3HG2 ILE 80 1HG2 ILE 80 13.906 5.095 -0.994 609 1HD1 ILE 80 2HD1 ILE 80 10.249 4.805 0.546 610 2HD1 ILE 80 1HD1 ILE 80 10.041 5.607 2.103 611 3HD1 ILE 80 3HD1 ILE 80 10.928 6.412 0.808 612 1HB ARG 81 2HB ARG 81 12.279 1.709 -4.784 613 2HB ARG 81 1HB ARG 81 13.259 0.248 -4.770 614 1HG ARG 81 2HG ARG 81 11.158 0.624 -2.687 615 2HG ARG 81 1HG ARG 81 10.699 0.123 -4.316 616 1HD ARG 81 2HD ARG 81 12.472 -1.293 -2.348 617 2HD ARG 81 1HD ARG 81 10.991 -1.875 -3.110 618 1HH1 ARG 81 2HH1 ARG 81 13.233 -2.993 -2.133 619 2HH1 ARG 81 1HH1 ARG 81 14.401 -4.108 -2.758 620 1HH2 ARG 81 1HH2 ARG 81 14.087 -3.031 -6.070 621 2HH2 ARG 81 2HH2 ARG 81 14.887 -4.130 -4.996 622 H ARG 81 H ARG 81 11.868 2.438 -2.222 623 HA ARG 81 HA ARG 81 14.192 0.761 -2.661 624 HE ARG 81 HE ARG 81 12.551 -1.565 -5.235 625 1HB LEU 82 2HB LEU 82 16.905 3.407 -3.391 626 2HB LEU 82 1HB LEU 82 17.255 4.699 -4.520 627 H LEU 82 H LEU 82 14.018 3.880 -2.256 628 HA LEU 82 HA LEU 82 15.205 5.703 -2.910 629 HG LEU 82 HG LEU 82 18.721 4.883 -2.617 630 1HD1 LEU 82 1HD1 LEU 82 16.850 6.927 -3.377 631 2HD1 LEU 82 3HD1 LEU 82 17.329 7.124 -1.692 632 3HD1 LEU 82 2HD1 LEU 82 18.557 7.070 -2.956 633 1HD2 LEU 82 2HD2 LEU 82 17.252 3.670 -1.029 634 2HD2 LEU 82 1HD2 LEU 82 17.938 5.152 -0.364 635 3HD2 LEU 82 3HD2 LEU 82 16.258 5.122 -0.898 636 1HB ASN 83 2HB ASN 83 14.569 4.286 -7.672 637 2HB ASN 83 1HB ASN 83 13.089 3.418 -7.277 638 1HD2 ASN 83 2HD2 ASN 83 11.803 3.039 -8.916 639 2HD2 ASN 83 1HD2 ASN 83 11.688 3.974 -10.364 640 H ASN 83 H ASN 83 13.044 4.749 -4.596 641 HA ASN 83 HA ASN 83 13.583 6.378 -6.896 642 1HB ARG 84 2HB ARG 84 10.373 9.229 -6.184 643 2HB ARG 84 1HB ARG 84 8.631 9.005 -6.243 644 1HG ARG 84 2HG ARG 84 8.740 9.479 -4.060 645 2HG ARG 84 1HG ARG 84 9.208 7.787 -3.907 646 1HD ARG 84 2HD ARG 84 10.857 10.245 -3.689 647 2HD ARG 84 1HD ARG 84 10.900 8.767 -2.728 648 1HH1 ARG 84 1HH1 ARG 84 11.727 11.170 -4.791 649 2HH1 ARG 84 2HH1 ARG 84 13.064 11.369 -5.873 650 1HH2 ARG 84 1HH2 ARG 84 13.904 7.976 -5.924 651 2HH2 ARG 84 2HH2 ARG 84 14.300 9.554 -6.518 652 H ARG 84 H ARG 84 11.829 7.599 -6.287 653 HA ARG 84 HA ARG 84 9.292 6.509 -5.622 654 HE ARG 84 HE ARG 84 12.142 7.723 -4.498 655 1HB SER 85 2HB SER 85 11.165 6.178 -10.431 656 2HB SER 85 1HB SER 85 10.167 5.387 -11.650 657 H SER 85 H SER 85 10.450 5.632 -8.207 658 HA SER 85 HA SER 85 8.292 6.544 -9.993 659 HG SER 85 HG SER 85 9.053 7.679 -11.390 660 1HB GLU 86 2HB GLU 86 7.773 1.942 -6.843 661 2HB GLU 86 1HB GLU 86 8.489 0.564 -7.662 662 1HG GLU 86 2HG GLU 86 10.238 2.905 -7.415 663 2HG GLU 86 1HG GLU 86 9.786 2.133 -5.896 664 H GLU 86 H GLU 86 9.060 4.057 -8.059 665 HA GLU 86 HA GLU 86 8.825 1.770 -9.658 666 1HB ARG 87 2HB ARG 87 3.851 0.080 -11.617 667 2HB ARG 87 1HB ARG 87 5.547 0.426 -11.918 668 1HG ARG 87 2HG ARG 87 5.470 -1.721 -10.100 669 2HG ARG 87 1HG ARG 87 4.295 -2.072 -11.367 670 1HD ARG 87 2HD ARG 87 7.225 -1.460 -11.693 671 2HD ARG 87 1HD ARG 87 6.396 -2.975 -12.048 672 1HH1 ARG 87 2HH1 ARG 87 7.778 0.027 -12.326 673 2HH1 ARG 87 1HH1 ARG 87 8.035 1.070 -13.685 674 1HH2 ARG 87 1HH2 ARG 87 5.743 -0.579 -15.749 675 2HH2 ARG 87 2HH2 ARG 87 6.878 0.725 -15.632 676 H ARG 87 H ARG 87 6.956 0.229 -9.557 677 HA ARG 87 HA ARG 87 4.454 1.700 -10.010 678 HE ARG 87 HE ARG 87 5.414 -1.945 -13.953 679 1HB TRP 88 2HB TRP 88 3.604 1.194 -5.590 680 2HB TRP 88 1HB TRP 88 2.686 -0.134 -4.892 681 H TRP 88 H TRP 88 3.112 1.555 -8.348 682 HA TRP 88 HA TRP 88 2.459 -1.053 -7.250 683 HD1 TRP 88 HD1 TRP 88 6.078 0.825 -5.193 684 HE1 TRP 88 HE1 TRP 88 7.686 -1.184 -5.213 685 HE3 TRP 88 HE3 TRP 88 2.719 -2.882 -6.223 686 HZ2 TRP 88 HZ2 TRP 88 7.542 -3.981 -5.606 687 HZ3 TRP 88 HZ3 TRP 88 3.532 -5.197 -6.406 688 HH2 TRP 88 HH2 TRP 88 5.895 -5.733 -6.106 689 1HB ASP 89 2HB ASP 89 -1.250 -0.951 -4.448 690 2HB ASP 89 1HB ASP 89 -2.612 0.160 -4.578 691 H ASP 89 H ASP 89 0.952 -0.241 -5.096 692 HA ASP 89 HA ASP 89 -1.165 1.341 -6.392 693 H ALA 90 H ALA 90 -2.317 1.122 -3.446 694 HA ALA 90 HA ALA 90 -0.636 2.809 -1.902 695 1HB ALA 90 3HB ALA 90 -1.184 4.528 -3.447 696 2HB ALA 90 1HB ALA 90 -2.102 4.837 -1.971 697 3HB ALA 90 2HB ALA 90 -2.902 4.130 -3.375 698 1HB TYR 91 2HB TYR 91 -1.046 1.594 2.211 699 2HB TYR 91 1HB TYR 91 -2.481 1.287 3.181 700 H TYR 91 H TYR 91 -1.142 2.534 0.159 701 HA TYR 91 HA TYR 91 -3.686 1.281 0.836 702 HD1 TYR 91 HD1 TYR 91 -4.013 -0.670 1.793 703 HD2 TYR 91 HD2 TYR 91 0.226 -0.302 2.005 704 HE1 TYR 91 HE1 TYR 91 -3.783 -3.079 1.377 705 HE2 TYR 91 HE2 TYR 91 0.461 -2.711 1.578 706 HH TYR 91 HH TYR 91 -1.491 -4.547 0.266 707 1HB CYS 92 2HB CYS 92 -7.021 4.369 0.786 708 2HB CYS 92 1HB CYS 92 -6.956 6.036 1.330 709 H CYS 92 H CYS 92 -4.802 3.365 0.331 710 HA CYS 92 HA CYS 92 -4.481 5.749 1.643 711 1HB TYR 93 2HB TYR 93 -4.639 4.863 5.775 712 2HB TYR 93 1HB TYR 93 -4.703 6.591 6.108 713 H TYR 93 H TYR 93 -6.059 6.675 3.283 714 HA TYR 93 HA TYR 93 -7.114 4.956 5.298 715 HD1 TYR 93 HD1 TYR 93 -6.963 7.073 7.721 716 HD2 TYR 93 HD2 TYR 93 -4.471 3.624 7.707 717 HE1 TYR 93 HE1 TYR 93 -7.616 6.600 10.044 718 HE2 TYR 93 HE2 TYR 93 -5.117 3.140 10.028 719 HH TYR 93 HH TYR 93 -6.086 4.046 11.898 720 1HB ASN 94 2HB ASN 94 -8.944 9.093 4.600 721 2HB ASN 94 1HB ASN 94 -10.355 8.039 4.595 722 1HD2 ASN 94 1HD2 ASN 94 -10.989 10.258 3.577 723 2HD2 ASN 94 2HD2 ASN 94 -11.779 11.340 4.669 724 H ASN 94 H ASN 94 -8.744 5.996 6.243 725 HA ASN 94 HA ASN 94 -8.653 8.727 6.999 726 1HB PRO 95 2HB PRO 95 -11.999 8.766 11.324 727 2HB PRO 95 1HB PRO 95 -10.603 7.687 11.391 728 1HG PRO 95 2HG PRO 95 -10.842 10.410 10.169 729 2HG PRO 95 1HG PRO 95 -9.524 9.733 11.144 730 1HD PRO 95 2HD PRO 95 -9.399 9.904 8.447 731 2HD PRO 95 1HD PRO 95 -8.618 8.594 9.357 732 HA PRO 95 HA PRO 95 -11.649 6.685 9.608 733 1HB HIS 96 2HB HIS 96 -13.798 11.491 8.208 734 2HB HIS 96 1HB HIS 96 -13.217 11.316 6.554 735 H HIS 96 H HIS 96 -12.095 9.110 7.400 736 HA HIS 96 HA HIS 96 -14.966 9.330 8.027 737 HD1 HIS 96 HD1 HIS 96 -16.400 11.885 8.497 738 HD2 HIS 96 HD2 HIS 96 -14.983 12.100 4.597 739 HE1 HIS 96 HE1 HIS 96 -18.225 13.007 7.179 740 HE2 HIS 96 HE2 HIS 96 -17.308 13.206 4.840 741 H ALA 97 H ALA 97 -12.728 7.988 5.980 742 HA ALA 97 HA ALA 97 -14.187 8.223 3.508 743 1HB ALA 97 3HB ALA 97 -11.981 6.268 4.109 744 2HB ALA 97 2HB ALA 97 -12.482 6.898 2.540 745 3HB ALA 97 1HB ALA 97 -11.682 7.957 3.701 746 1HB LYS 98 2HB LYS 98 -18.272 4.762 6.369 747 2HB LYS 98 1HB LYS 98 -16.762 5.264 7.118 748 1HG LYS 98 2HG LYS 98 -17.731 7.201 7.573 749 2HG LYS 98 1HG LYS 98 -17.718 7.546 5.843 750 1HD LYS 98 2HD LYS 98 -19.916 6.630 5.577 751 2HD LYS 98 1HD LYS 98 -19.924 6.039 7.240 752 1HE LYS 98 2HE LYS 98 -19.389 8.744 7.490 753 2HE LYS 98 1HE LYS 98 -20.588 8.663 6.199 754 H LYS 98 H LYS 98 -16.069 7.374 5.115 755 HA LYS 98 HA LYS 98 -16.214 4.453 4.947 756 1HZ LYS 98 3HZ LYS 98 -21.143 7.017 8.519 757 2HZ LYS 98 2HZ LYS 98 -21.199 8.686 8.791 758 3HZ LYS 98 1HZ LYS 98 -22.183 7.989 7.605 No H/Q in entry = 758 Start of MODEL 11 1 1HA GLY 1 2HA GLY 1 -9.526 2.234 8.666 2 2HA GLY 1 1HA GLY 1 -9.640 3.986 8.588 3 H1 GLY 1 2H GLY 1 -11.466 3.504 6.850 4 H2 GLY 1 1H GLY 1 -11.511 1.965 7.552 5 H3 GLY 1 3H GLY 1 -11.827 3.335 8.494 6 H VAL 2 H VAL 2 -7.682 1.751 7.644 7 HA VAL 2 HA VAL 2 -6.866 3.178 5.265 8 HB VAL 2 HB VAL 2 -5.018 2.660 6.559 9 1HG1 VAL 2 3HG1 VAL 2 -6.548 0.236 7.242 10 2HG1 VAL 2 2HG1 VAL 2 -4.794 0.059 7.216 11 3HG1 VAL 2 1HG1 VAL 2 -5.544 1.271 8.257 12 1HG2 VAL 2 3HG2 VAL 2 -5.253 1.396 4.092 13 2HG2 VAL 2 2HG2 VAL 2 -3.761 1.745 4.966 14 3HG2 VAL 2 1HG2 VAL 2 -4.548 0.178 5.155 15 1HB TYR 3 2HB TYR 3 -9.521 0.777 0.860 16 2HB TYR 3 1HB TYR 3 -10.101 0.952 2.511 17 H TYR 3 H TYR 3 -7.289 2.594 3.241 18 HA TYR 3 HA TYR 3 -8.065 -0.195 2.726 19 HD1 TYR 3 HD1 TYR 3 -8.844 3.271 3.577 20 HD2 TYR 3 HD2 TYR 3 -10.119 2.579 -0.421 21 HE1 TYR 3 HE1 TYR 3 -9.086 5.697 3.241 22 HE2 TYR 3 HE2 TYR 3 -10.359 5.000 -0.772 23 HH TYR 3 HH TYR 3 -10.747 7.040 0.675 24 1HB HIS 4 2HB HIS 4 -4.914 -1.940 -1.231 25 2HB HIS 4 1HB HIS 4 -6.388 -2.363 -0.373 26 H HIS 4 H HIS 4 -7.847 -0.794 0.392 27 HA HIS 4 HA HIS 4 -5.264 0.168 -0.564 28 HD1 HIS 4 HD1 HIS 4 -8.595 -2.492 -1.851 29 HD2 HIS 4 HD2 HIS 4 -5.026 -2.213 -3.959 30 HE1 HIS 4 HE1 HIS 4 -9.153 -3.169 -4.206 31 HE2 HIS 4 HE2 HIS 4 -7.001 -2.891 -5.487 32 1HB ARG 5 2HB ARG 5 -5.775 3.543 -2.937 33 2HB ARG 5 1HB ARG 5 -6.299 3.844 -4.587 34 1HG ARG 5 2HG ARG 5 -8.020 3.102 -2.234 35 2HG ARG 5 1HG ARG 5 -7.986 4.638 -3.102 36 1HD ARG 5 2HD ARG 5 -8.616 3.241 -5.166 37 2HD ARG 5 1HD ARG 5 -9.051 1.986 -4.009 38 1HH1 ARG 5 2HH1 ARG 5 -10.567 1.467 -5.050 39 2HH1 ARG 5 1HH1 ARG 5 -12.294 1.551 -5.146 40 1HH2 ARG 5 2HH2 ARG 5 -12.513 4.697 -3.634 41 2HH2 ARG 5 1HH2 ARG 5 -13.401 3.388 -4.340 42 H ARG 5 H ARG 5 -4.915 0.985 -2.617 43 HA ARG 5 HA ARG 5 -7.196 1.359 -4.390 44 HE ARG 5 HE ARG 5 -10.239 4.575 -3.513 45 1HB GLU 6 2HB GLU 6 -4.383 -0.139 -9.005 46 2HB GLU 6 1HB GLU 6 -5.444 -0.684 -7.715 47 1HG GLU 6 2HG GLU 6 -6.240 1.295 -9.834 48 2HG GLU 6 1HG GLU 6 -6.556 -0.438 -9.918 49 H GLU 6 H GLU 6 -6.657 1.444 -6.516 50 HA GLU 6 HA GLU 6 -3.798 1.183 -7.150 51 H ALA 7 H ALA 7 -3.843 1.652 -9.834 52 HA ALA 7 HA ALA 7 -4.185 4.547 -9.891 53 1HB ALA 7 2HB ALA 7 -2.332 4.513 -11.110 54 2HB ALA 7 1HB ALA 7 -2.301 2.754 -10.984 55 3HB ALA 7 3HB ALA 7 -3.126 3.527 -12.338 56 1HB ARG 8 2HB ARG 8 -6.413 7.053 -12.556 57 2HB ARG 8 1HB ARG 8 -7.082 6.656 -14.133 58 1HG ARG 8 2HG ARG 8 -9.117 6.022 -12.373 59 2HG ARG 8 1HG ARG 8 -8.418 7.500 -11.710 60 1HD ARG 8 2HD ARG 8 -8.586 7.870 -14.494 61 2HD ARG 8 1HD ARG 8 -10.121 7.165 -13.988 62 1HH1 ARG 8 1HH1 ARG 8 -11.184 7.213 -12.255 63 2HH1 ARG 8 2HH1 ARG 8 -12.208 8.254 -11.323 64 1HH2 ARG 8 1HH2 ARG 8 -10.513 11.184 -12.200 65 2HH2 ARG 8 2HH2 ARG 8 -11.826 10.512 -11.293 66 H ARG 8 H ARG 8 -5.196 5.623 -11.688 67 HA ARG 8 HA ARG 8 -7.719 4.527 -12.351 68 HE ARG 8 HE ARG 8 -9.171 9.803 -13.425 69 1HB SER 9 2HB SER 9 -3.557 3.611 -17.230 70 2HB SER 9 1HB SER 9 -3.632 4.910 -16.041 71 H SER 9 H SER 9 -4.643 4.181 -13.755 72 HA SER 9 HA SER 9 -5.737 3.446 -16.369 73 HG SER 9 HG SER 9 -1.741 3.391 -16.035 74 1HA GLY 10 2HA GLY 10 -4.031 -0.524 -14.608 75 2HA GLY 10 1HA GLY 10 -5.572 -0.473 -13.763 76 H GLY 10 H GLY 10 -4.735 2.043 -13.434 77 1HB LYS 11 2HB LYS 11 -4.332 -3.641 -10.693 78 2HB LYS 11 1HB LYS 11 -2.661 -3.877 -11.190 79 1HG LYS 11 2HG LYS 11 -1.866 -3.781 -9.012 80 2HG LYS 11 1HG LYS 11 -3.312 -2.962 -8.418 81 1HD LYS 11 2HD LYS 11 -3.630 -5.676 -9.585 82 2HD LYS 11 1HD LYS 11 -2.885 -5.545 -7.990 83 1HE LYS 11 2HE LYS 11 -5.567 -4.415 -8.785 84 2HE LYS 11 1HE LYS 11 -5.306 -5.877 -7.836 85 H LYS 11 H LYS 11 -4.267 -2.211 -12.573 86 HA LYS 11 HA LYS 11 -3.673 -1.292 -10.005 87 1HZ LYS 11 1HZ LYS 11 -4.037 -4.351 -6.259 88 2HZ LYS 11 3HZ LYS 11 -4.797 -3.073 -7.067 89 3HZ LYS 11 2HZ LYS 11 -5.725 -4.237 -6.265 90 1HB TYR 12 2HB TYR 12 0.967 -2.131 -10.947 91 2HB TYR 12 1HB TYR 12 2.171 -1.533 -9.808 92 H TYR 12 H TYR 12 -1.731 -1.079 -8.861 93 HA TYR 12 HA TYR 12 0.410 -0.379 -8.542 94 HD1 TYR 12 HD1 TYR 12 1.401 -2.074 -7.227 95 HD2 TYR 12 HD2 TYR 12 0.414 -4.345 -10.686 96 HE1 TYR 12 HE1 TYR 12 1.069 -4.060 -5.819 97 HE2 TYR 12 HE2 TYR 12 0.076 -6.339 -9.287 98 HH TYR 12 HH TYR 12 -0.546 -6.462 -6.379 99 1HB LYS 13 2HB LYS 13 0.411 2.187 -12.865 100 2HB LYS 13 1HB LYS 13 1.888 2.280 -13.814 101 1HG LYS 13 2HG LYS 13 1.616 -0.399 -12.979 102 2HG LYS 13 1HG LYS 13 0.041 0.127 -13.575 103 1HD LYS 13 2HD LYS 13 1.335 1.067 -15.582 104 2HD LYS 13 1HD LYS 13 2.671 0.058 -15.021 105 1HE LYS 13 2HE LYS 13 0.051 -1.275 -15.216 106 2HE LYS 13 1HE LYS 13 0.767 -0.772 -16.746 107 H LYS 13 H LYS 13 2.442 -0.011 -10.590 108 HA LYS 13 HA LYS 13 3.229 1.573 -12.019 109 1HZ LYS 13 2HZ LYS 13 2.488 -2.174 -14.846 110 2HZ LYS 13 1HZ LYS 13 1.313 -3.088 -15.650 111 3HZ LYS 13 3HZ LYS 13 2.472 -2.231 -16.537 112 1HB LEU 14 2HB LEU 14 0.815 3.196 -7.377 113 2HB LEU 14 1HB LEU 14 0.637 4.930 -7.250 114 H LEU 14 H LEU 14 1.707 2.200 -9.318 115 HA LEU 14 HA LEU 14 1.318 5.066 -9.682 116 HG LEU 14 HG LEU 14 -0.860 3.528 -9.408 117 1HD1 LEU 14 1HD1 LEU 14 -1.108 2.904 -6.599 118 2HD1 LEU 14 3HD1 LEU 14 -2.596 3.605 -7.238 119 3HD1 LEU 14 2HD1 LEU 14 -1.903 2.168 -7.993 120 1HD2 LEU 14 3HD2 LEU 14 -0.829 6.100 -8.117 121 2HD2 LEU 14 2HD2 LEU 14 -1.650 5.595 -9.594 122 3HD2 LEU 14 1HD2 LEU 14 -2.434 5.376 -8.030 123 H THR 15 H THR 15 2.512 6.629 -8.631 124 HA THR 15 HA THR 15 5.132 5.747 -7.653 125 HB THR 15 HB THR 15 5.887 8.031 -8.008 126 HG1 THR 15 HG1 THR 15 4.199 9.407 -9.163 127 1HG2 THR 15 1HG2 THR 15 5.250 6.258 -9.989 128 2HG2 THR 15 3HG2 THR 15 4.433 7.721 -10.535 129 3HG2 THR 15 2HG2 THR 15 6.168 7.746 -10.222 130 1HB TYR 16 2HB TYR 16 6.805 7.990 -3.786 131 2HB TYR 16 1HB TYR 16 6.498 9.618 -4.378 132 H TYR 16 H TYR 16 5.702 8.181 -6.244 133 HA TYR 16 HA TYR 16 4.390 7.542 -3.747 134 HD1 TYR 16 HD1 TYR 16 5.364 7.440 -1.554 135 HD2 TYR 16 HD2 TYR 16 6.629 11.303 -2.817 136 HE1 TYR 16 HE1 TYR 16 5.211 8.239 0.762 137 HE2 TYR 16 HE2 TYR 16 6.474 12.115 -0.501 138 HH TYR 16 HH TYR 16 6.458 11.297 1.742 139 H ALA 17 H ALA 17 4.887 10.520 -5.633 140 HA ALA 17 HA ALA 17 3.039 12.074 -4.173 141 1HB ALA 17 2HB ALA 17 4.864 12.974 -5.598 142 2HB ALA 17 1HB ALA 17 3.934 12.491 -7.019 143 3HB ALA 17 3HB ALA 17 3.291 13.708 -5.915 144 1HB GLU 18 2HB GLU 18 1.744 8.345 -8.299 145 2HB GLU 18 1HB GLU 18 0.089 8.519 -8.868 146 1HG GLU 18 2HG GLU 18 0.618 10.346 -10.216 147 2HG GLU 18 1HG GLU 18 2.139 10.639 -9.376 148 H GLU 18 H GLU 18 2.707 9.893 -6.870 149 HA GLU 18 HA GLU 18 0.089 10.774 -7.637 150 H ALA 19 H ALA 19 1.344 7.952 -5.879 151 HA ALA 19 HA ALA 19 -1.057 6.698 -5.302 152 1HB ALA 19 1HB ALA 19 0.485 6.271 -3.049 153 2HB ALA 19 2HB ALA 19 1.667 6.614 -4.313 154 3HB ALA 19 3HB ALA 19 0.502 5.306 -4.527 155 1HB LYS 20 2HB LYS 20 1.207 10.404 -1.640 156 2HB LYS 20 1HB LYS 20 0.362 11.741 -2.401 157 1HG LYS 20 2HG LYS 20 -1.042 11.410 -0.075 158 2HG LYS 20 1HG LYS 20 0.611 11.039 0.415 159 1HD LYS 20 2HD LYS 20 0.005 13.475 -1.220 160 2HD LYS 20 1HD LYS 20 -0.204 13.488 0.532 161 1HE LYS 20 2HE LYS 20 1.974 13.787 0.823 162 2HE LYS 20 1HE LYS 20 2.323 12.321 -0.091 163 H LYS 20 H LYS 20 0.628 9.226 -3.487 164 HA LYS 20 HA LYS 20 -1.141 9.376 -1.330 165 1HZ LYS 20 3HZ LYS 20 2.223 13.625 -2.132 166 2HZ LYS 20 2HZ LYS 20 1.922 15.030 -1.240 167 3HZ LYS 20 1HZ LYS 20 3.403 14.229 -1.080 168 H ALA 21 H ALA 21 -0.957 11.276 -4.319 169 HA ALA 21 HA ALA 21 -3.167 12.935 -3.797 170 1HB ALA 21 2HB ALA 21 -3.142 13.422 -6.199 171 2HB ALA 21 3HB ALA 21 -2.042 12.068 -6.460 172 3HB ALA 21 1HB ALA 21 -1.518 13.460 -5.513 173 H VAL 22 H VAL 22 -2.922 9.855 -5.551 174 HA VAL 22 HA VAL 22 -5.506 9.625 -6.492 175 HB VAL 22 HB VAL 22 -3.365 7.726 -5.765 176 1HG1 VAL 22 2HG1 VAL 22 -6.233 6.835 -5.998 177 2HG1 VAL 22 1HG1 VAL 22 -4.831 5.765 -6.026 178 3HG1 VAL 22 3HG1 VAL 22 -5.197 6.700 -4.576 179 1HG2 VAL 22 1HG2 VAL 22 -3.633 8.622 -8.021 180 2HG2 VAL 22 3HG2 VAL 22 -3.831 6.870 -8.000 181 3HG2 VAL 22 2HG2 VAL 22 -5.246 7.917 -8.115 182 1HB CYS 23 2HB CYS 23 -3.974 8.858 -1.099 183 2HB CYS 23 1HB CYS 23 -5.315 8.546 -0.007 184 H CYS 23 H CYS 23 -4.196 8.996 -3.305 185 HA CYS 23 HA CYS 23 -6.615 7.941 -2.194 186 1HB GLU 24 2HB GLU 24 -4.219 12.865 -1.240 187 2HB GLU 24 1HB GLU 24 -5.337 14.219 -1.318 188 1HG GLU 24 2HG GLU 24 -5.641 13.357 1.260 189 2HG GLU 24 1HG GLU 24 -3.929 13.068 0.961 190 H GLU 24 H GLU 24 -4.798 10.883 -1.443 191 HA GLU 24 HA GLU 24 -6.763 12.208 -0.015 192 1HB PHE 25 2HB PHE 25 -6.865 12.490 -5.717 193 2HB PHE 25 1HB PHE 25 -7.845 11.042 -5.517 194 H PHE 25 H PHE 25 -6.851 11.399 -3.259 195 HA PHE 25 HA PHE 25 -8.346 13.703 -4.163 196 HD1 PHE 25 HD1 PHE 25 -7.994 14.562 -6.680 197 HD2 PHE 25 HD2 PHE 25 -9.690 10.663 -6.878 198 HE1 PHE 25 HE1 PHE 25 -9.441 15.290 -8.533 199 HE2 PHE 25 HE2 PHE 25 -11.138 11.384 -8.733 200 HZ PHE 25 HZ PHE 25 -11.015 13.700 -9.562 201 1HB GLU 26 2HB GLU 26 -10.006 8.485 -2.570 202 2HB GLU 26 1HB GLU 26 -11.751 8.346 -2.415 203 1HG GLU 26 2HG GLU 26 -11.391 9.003 -5.069 204 2HG GLU 26 1HG GLU 26 -10.050 7.913 -4.719 205 H GLU 26 H GLU 26 -8.964 10.433 -3.068 206 HA GLU 26 HA GLU 26 -11.799 10.633 -3.649 207 1HA GLY 27 1HA GLY 27 -12.034 10.411 1.046 208 2HA GLY 27 2HA GLY 27 -10.946 11.787 0.946 209 H GLY 27 H GLY 27 -9.898 9.867 -0.748 210 1HA GLY 28 2HA GLY 28 -7.992 8.918 2.810 211 2HA GLY 28 1HA GLY 28 -8.047 10.378 3.790 212 H GLY 28 H GLY 28 -8.629 11.330 1.338 213 1HB HIS 29 2HB HIS 29 -2.595 10.527 4.002 214 2HB HIS 29 1HB HIS 29 -3.240 11.804 2.978 215 H HIS 29 H HIS 29 -5.725 8.957 3.605 216 HA HIS 29 HA HIS 29 -4.045 10.233 1.604 217 HD1 HIS 29 HD1 HIS 29 -4.071 13.425 4.669 218 HD2 HIS 29 HD2 HIS 29 -5.363 9.553 5.437 219 HE1 HIS 29 HE1 HIS 29 -5.678 13.621 6.585 220 HE2 HIS 29 HE2 HIS 29 -6.386 11.258 7.091 221 1HB LEU 30 2HB LEU 30 0.553 8.760 2.341 222 2HB LEU 30 1HB LEU 30 0.933 7.055 2.242 223 H LEU 30 H LEU 30 -1.630 9.504 2.131 224 HA LEU 30 HA LEU 30 -1.585 6.702 1.857 225 HG LEU 30 HG LEU 30 -0.271 8.759 0.061 226 1HD1 LEU 30 1HD1 LEU 30 2.230 8.888 0.632 227 2HD1 LEU 30 3HD1 LEU 30 2.323 7.257 -0.032 228 3HD1 LEU 30 2HD1 LEU 30 1.773 8.591 -1.046 229 1HD2 LEU 30 1HD2 LEU 30 -0.839 6.137 0.431 230 2HD2 LEU 30 3HD2 LEU 30 -0.782 6.934 -1.141 231 3HD2 LEU 30 2HD2 LEU 30 0.616 6.031 -0.558 232 H ALA 31 H ALA 31 -2.042 5.305 3.432 233 HA ALA 31 HA ALA 31 -2.061 5.862 6.167 234 1HB ALA 31 1HB ALA 31 -2.219 3.404 4.530 235 2HB ALA 31 3HB ALA 31 -1.823 3.212 6.237 236 3HB ALA 31 2HB ALA 31 -3.317 4.021 5.765 237 H THR 32 H THR 32 -0.762 3.829 7.458 238 HA THR 32 HA THR 32 2.083 4.409 6.957 239 HB THR 32 HB THR 32 2.525 4.832 9.159 240 HG1 THR 32 HG1 THR 32 1.848 3.263 10.424 241 1HG2 THR 32 2HG2 THR 32 -0.330 5.679 8.730 242 2HG2 THR 32 1HG2 THR 32 0.597 6.152 10.154 243 3HG2 THR 32 3HG2 THR 32 1.136 6.644 8.548 244 1HB TYR 33 2HB TYR 33 5.307 1.381 7.748 245 2HB TYR 33 1HB TYR 33 4.944 0.878 9.392 246 H TYR 33 H TYR 33 3.557 2.821 8.016 247 HA TYR 33 HA TYR 33 3.103 0.236 7.096 248 HD1 TYR 33 HD1 TYR 33 5.657 -0.367 5.983 249 HD2 TYR 33 HD2 TYR 33 5.326 -1.341 10.111 250 HE1 TYR 33 HE1 TYR 33 6.688 -2.555 5.543 251 HE2 TYR 33 HE2 TYR 33 6.356 -3.533 9.683 252 HH TYR 33 HH TYR 33 6.513 -5.095 7.487 253 1HB LYS 34 2HB LYS 34 2.608 1.764 12.431 254 2HB LYS 34 1HB LYS 34 1.089 1.198 13.107 255 1HG LYS 34 2HG LYS 34 2.462 -0.846 13.882 256 2HG LYS 34 1HG LYS 34 3.860 0.190 13.590 257 1HD LYS 34 2HD LYS 34 3.231 1.713 15.237 258 2HD LYS 34 1HD LYS 34 1.556 1.156 15.243 259 1HE LYS 34 2HE LYS 34 2.423 -1.043 16.135 260 2HE LYS 34 1HE LYS 34 3.974 -0.236 16.368 261 H LYS 34 H LYS 34 3.003 1.440 10.434 262 HA LYS 34 HA LYS 34 2.208 -0.958 11.642 263 1HZ LYS 34 1HZ LYS 34 1.682 1.151 17.468 264 2HZ LYS 34 3HZ LYS 34 2.047 -0.326 18.211 265 3HZ LYS 34 2HZ LYS 34 3.216 0.894 18.133 266 1HB GLN 35 2HB GLN 35 -1.460 2.502 8.829 267 2HB GLN 35 1HB GLN 35 -3.094 2.333 9.445 268 1HG GLN 35 2HG GLN 35 -2.395 3.391 11.547 269 2HG GLN 35 1HG GLN 35 -0.779 3.608 10.877 270 1HE2 GLN 35 1HE2 GLN 35 -2.698 5.593 11.811 271 2HE2 GLN 35 2HE2 GLN 35 -2.976 6.655 10.476 272 H GLN 35 H GLN 35 0.277 1.793 10.487 273 HA GLN 35 HA GLN 35 -2.227 0.895 11.271 274 1HB LEU 36 2HB LEU 36 0.509 -0.847 6.777 275 2HB LEU 36 1HB LEU 36 0.192 -2.548 6.504 276 H LEU 36 H LEU 36 -0.276 0.045 8.479 277 HA LEU 36 HA LEU 36 -2.304 -1.339 7.065 278 HG LEU 36 HG LEU 36 0.111 -1.469 4.386 279 1HD1 LEU 36 3HD1 LEU 36 -2.686 -1.973 5.395 280 2HD1 LEU 36 2HD1 LEU 36 -2.234 -1.832 3.696 281 3HD1 LEU 36 1HD1 LEU 36 -1.591 -3.152 4.672 282 1HD2 LEU 36 1HD2 LEU 36 -0.855 0.729 5.867 283 2HD2 LEU 36 3HD2 LEU 36 -0.429 0.667 4.156 284 3HD2 LEU 36 2HD2 LEU 36 -2.084 0.330 4.665 285 1HB GLU 37 2HB GLU 37 1.548 -4.093 10.415 286 2HB GLU 37 1HB GLU 37 0.525 -3.479 11.701 287 1HG GLU 37 2HG GLU 37 -0.171 -5.984 11.937 288 2HG GLU 37 1HG GLU 37 1.370 -6.271 11.127 289 H GLU 37 H GLU 37 0.084 -2.336 9.457 290 HA GLU 37 HA GLU 37 -0.462 -5.108 9.354 291 H ALA 38 H ALA 38 -1.524 -2.568 11.564 292 HA ALA 38 HA ALA 38 -3.208 -4.030 13.200 293 1HB ALA 38 1HB ALA 38 -2.558 -1.668 13.562 294 2HB ALA 38 2HB ALA 38 -4.292 -1.941 13.742 295 3HB ALA 38 3HB ALA 38 -3.663 -1.199 12.271 296 H ALA 39 H ALA 39 -3.671 -2.902 9.953 297 HA ALA 39 HA ALA 39 -6.514 -3.529 9.965 298 1HB ALA 39 2HB ALA 39 -4.799 -2.648 7.651 299 2HB ALA 39 1HB ALA 39 -6.560 -2.641 7.737 300 3HB ALA 39 3HB ALA 39 -5.623 -1.548 8.756 301 1HB ARG 40 2HB ARG 40 -2.459 -6.123 6.650 302 2HB ARG 40 1HB ARG 40 -1.895 -6.533 8.262 303 1HG ARG 40 2HG ARG 40 -3.010 -8.872 7.116 304 2HG ARG 40 1HG ARG 40 -1.925 -8.144 5.930 305 1HD ARG 40 2HD ARG 40 -0.277 -9.164 7.033 306 2HD ARG 40 1HD ARG 40 -0.506 -7.934 8.274 307 1HH1 ARG 40 2HH1 ARG 40 1.096 -9.295 8.904 308 2HH1 ARG 40 1HH1 ARG 40 1.417 -10.435 10.169 309 1HH2 ARG 40 1HH2 ARG 40 -1.884 -11.568 10.380 310 2HH2 ARG 40 2HH2 ARG 40 -0.277 -11.727 11.007 311 H ARG 40 H ARG 40 -3.488 -4.860 8.828 312 HA ARG 40 HA ARG 40 -4.685 -6.867 7.162 313 HE ARG 40 HE ARG 40 -2.296 -10.063 8.714 314 1HB LYS 41 2HB LYS 41 -3.435 -8.725 13.364 315 2HB LYS 41 1HB LYS 41 -2.751 -7.343 12.518 316 1HG LYS 41 2HG LYS 41 -4.628 -6.053 12.822 317 2HG LYS 41 1HG LYS 41 -5.683 -7.454 13.015 318 1HD LYS 41 2HD LYS 41 -3.535 -6.966 15.026 319 2HD LYS 41 1HD LYS 41 -5.007 -5.993 15.087 320 1HE LYS 41 2HE LYS 41 -6.244 -8.248 14.968 321 2HE LYS 41 1HE LYS 41 -4.692 -8.956 15.414 322 H LYS 41 H LYS 41 -3.490 -6.715 10.452 323 HA LYS 41 HA LYS 41 -3.394 -9.388 11.115 324 1HZ LYS 41 2HZ LYS 41 -4.808 -7.159 17.284 325 2HZ LYS 41 1HZ LYS 41 -6.473 -7.241 16.991 326 3HZ LYS 41 3HZ LYS 41 -5.625 -8.630 17.455 327 1HG1 ILE 42 2HG1 ILE 42 -8.614 -5.557 9.870 328 2HG1 ILE 42 1HG1 ILE 42 -8.194 -7.065 9.060 329 H ILE 42 H ILE 42 -6.139 -7.303 10.681 330 HA ILE 42 HA ILE 42 -8.001 -9.170 11.862 331 HB ILE 42 HB ILE 42 -9.685 -7.601 11.476 332 1HG2 ILE 42 2HG2 ILE 42 -7.065 -6.242 11.999 333 2HG2 ILE 42 1HG2 ILE 42 -8.589 -5.355 12.032 334 3HG2 ILE 42 3HG2 ILE 42 -8.326 -6.698 13.145 335 1HD1 ILE 42 3HD1 ILE 42 -10.922 -7.146 9.928 336 2HD1 ILE 42 2HD1 ILE 42 -10.624 -5.695 8.971 337 3HD1 ILE 42 1HD1 ILE 42 -10.256 -7.284 8.301 338 1HA GLY 43 1HA GLY 43 -8.846 -9.814 7.325 339 2HA GLY 43 2HA GLY 43 -7.387 -10.774 7.456 340 H GLY 43 H GLY 43 -6.739 -8.455 8.690 341 1HB PHE 44 2HB PHE 44 -7.031 -5.213 6.412 342 2HB PHE 44 1HB PHE 44 -5.316 -5.565 6.270 343 H PHE 44 H PHE 44 -7.312 -7.325 7.173 344 HA PHE 44 HA PHE 44 -7.365 -6.859 4.490 345 HD1 PHE 44 HD1 PHE 44 -6.966 -5.750 3.135 346 HD2 PHE 44 HD2 PHE 44 -5.283 -3.011 5.925 347 HE1 PHE 44 HE1 PHE 44 -6.790 -4.054 1.361 348 HE2 PHE 44 HE2 PHE 44 -5.109 -1.311 4.154 349 HZ PHE 44 HZ PHE 44 -5.865 -1.833 1.872 350 1HB HIS 45 2HB HIS 45 -3.958 -10.866 3.776 351 2HB HIS 45 1HB HIS 45 -5.646 -10.789 3.290 352 H HIS 45 H HIS 45 -6.517 -8.505 3.249 353 HA HIS 45 HA HIS 45 -3.579 -8.704 3.244 354 HD1 HIS 45 HD1 HIS 45 -6.236 -12.027 1.227 355 HD2 HIS 45 HD2 HIS 45 -2.170 -11.203 1.440 356 HE1 HIS 45 HE1 HIS 45 -5.204 -13.208 -0.738 357 HE2 HIS 45 HE2 HIS 45 -2.759 -12.618 -0.642 358 H VAL 46 H VAL 46 -2.713 -7.873 1.473 359 HA VAL 46 HA VAL 46 -3.955 -8.346 -1.120 360 HB VAL 46 HB VAL 46 -3.244 -5.553 -0.204 361 1HG1 VAL 46 2HG1 VAL 46 -2.874 -6.257 -2.654 362 2HG1 VAL 46 1HG1 VAL 46 -4.634 -6.275 -2.759 363 3HG1 VAL 46 3HG1 VAL 46 -3.792 -4.786 -2.334 364 1HG2 VAL 46 2HG2 VAL 46 -5.437 -6.723 0.610 365 2HG2 VAL 46 1HG2 VAL 46 -5.483 -5.063 0.016 366 3HG2 VAL 46 3HG2 VAL 46 -5.986 -6.390 -1.031 367 1HB CYS 47 2HB CYS 47 -0.313 -9.488 -4.642 368 2HB CYS 47 1HB CYS 47 0.591 -10.381 -3.425 369 H CYS 47 H CYS 47 -2.457 -8.862 -2.585 370 HA CYS 47 HA CYS 47 0.328 -8.768 -1.870 371 H ALA 48 H ALA 48 -1.523 -6.358 -2.782 372 HA ALA 48 HA ALA 48 0.302 -5.254 -4.797 373 1HB ALA 48 3HB ALA 48 -2.253 -5.267 -5.078 374 2HB ALA 48 1HB ALA 48 -1.382 -3.776 -5.437 375 3HB ALA 48 2HB ALA 48 -2.245 -3.947 -3.908 376 H ALA 49 H ALA 49 2.039 -4.516 -3.670 377 HA ALA 49 HA ALA 49 2.121 -3.372 -1.168 378 1HB ALA 49 3HB ALA 49 4.264 -3.546 -1.738 379 2HB ALA 49 2HB ALA 49 3.879 -3.523 -3.459 380 3HB ALA 49 1HB ALA 49 4.077 -2.006 -2.579 381 1HA GLY 50 2HA GLY 50 -0.314 0.230 -0.580 382 2HA GLY 50 1HA GLY 50 0.324 0.505 -2.193 383 H GLY 50 H GLY 50 1.154 -1.632 -0.359 384 1HB TRP 51 2HB TRP 51 1.776 4.696 -2.439 385 2HB TRP 51 1HB TRP 51 3.222 5.353 -1.680 386 H TRP 51 H TRP 51 1.351 2.375 -2.288 387 HA TRP 51 HA TRP 51 3.657 2.970 -0.837 388 HD1 TRP 51 HD1 TRP 51 2.079 3.261 -4.627 389 HE1 TRP 51 HE1 TRP 51 4.102 2.787 -6.161 390 HE3 TRP 51 HE3 TRP 51 5.824 5.021 -1.614 391 HZ2 TRP 51 HZ2 TRP 51 6.901 3.123 -6.099 392 HZ3 TRP 51 HZ3 TRP 51 8.144 4.907 -2.428 393 HH2 TRP 51 HH2 TRP 51 8.669 3.979 -4.624 394 1HB MET 52 2HB MET 52 2.694 4.515 4.482 395 2HB MET 52 1HB MET 52 1.924 3.384 3.379 396 1HG MET 52 2HG MET 52 4.186 2.711 2.595 397 2HG MET 52 1HG MET 52 4.872 3.735 3.854 398 H MET 52 H MET 52 4.091 4.339 0.888 399 HA MET 52 HA MET 52 1.850 5.520 2.332 400 1HE MET 52 3HE MET 52 4.747 0.652 2.859 401 2HE MET 52 2HE MET 52 4.616 -0.422 4.252 402 3HE MET 52 1HE MET 52 3.175 0.007 3.330 403 H ALA 53 H ALA 53 3.089 6.289 4.621 404 HA ALA 53 HA ALA 53 4.440 8.593 3.935 405 1HB ALA 53 1HB ALA 53 5.391 8.225 6.415 406 2HB ALA 53 2HB ALA 53 4.072 7.055 6.428 407 3HB ALA 53 3HB ALA 53 3.743 8.752 6.079 408 1HB LYS 54 2HB LYS 54 8.339 7.209 5.673 409 2HB LYS 54 1HB LYS 54 9.111 6.234 4.432 410 1HG LYS 54 2HG LYS 54 11.117 7.375 4.595 411 2HG LYS 54 1HG LYS 54 10.366 8.791 5.331 412 1HD LYS 54 2HD LYS 54 10.600 7.970 7.398 413 2HD LYS 54 1HD LYS 54 10.018 6.375 6.919 414 1HE LYS 54 2HE LYS 54 12.773 7.323 6.207 415 2HE LYS 54 1HE LYS 54 12.430 6.571 7.766 416 H LYS 54 H LYS 54 6.615 9.245 4.034 417 HA LYS 54 HA LYS 54 8.866 9.085 3.755 418 1HZ LYS 54 1HZ LYS 54 11.371 5.068 5.575 419 2HZ LYS 54 3HZ LYS 54 13.048 5.266 5.454 420 3HZ LYS 54 2HZ LYS 54 12.377 4.567 6.839 421 1HA GLY 55 1HA GLY 55 8.384 6.881 -0.107 422 2HA GLY 55 2HA GLY 55 6.654 6.562 -0.070 423 H GLY 55 H GLY 55 6.633 7.110 2.205 424 1HB ARG 56 2HB ARG 56 8.222 3.321 3.894 425 2HB ARG 56 1HB ARG 56 6.621 2.615 3.724 426 1HG ARG 56 2HG ARG 56 7.453 0.459 3.527 427 2HG ARG 56 1HG ARG 56 9.065 1.018 3.078 428 1HD ARG 56 2HD ARG 56 7.878 1.586 5.777 429 2HD ARG 56 1HD ARG 56 8.749 0.091 5.439 430 1HH1 ARG 56 1HH1 ARG 56 9.982 -0.474 6.420 431 2HH1 ARG 56 2HH1 ARG 56 11.593 -0.357 7.045 432 1HH2 ARG 56 1HH2 ARG 56 12.127 2.891 5.863 433 2HH2 ARG 56 2HH2 ARG 56 12.813 1.556 6.729 434 H ARG 56 H ARG 56 7.010 4.852 2.355 435 HA ARG 56 HA ARG 56 8.626 2.632 1.472 436 HE ARG 56 HE ARG 56 10.005 2.725 5.044 437 H VAL 57 H VAL 57 7.897 0.622 0.775 438 HA VAL 57 HA VAL 57 5.039 0.448 0.093 439 HB VAL 57 HB VAL 57 5.398 0.156 -2.093 440 1HG1 VAL 57 1HG1 VAL 57 8.009 1.280 -1.173 441 2HG1 VAL 57 3HG1 VAL 57 7.766 0.897 -2.877 442 3HG1 VAL 57 2HG1 VAL 57 6.707 2.056 -2.075 443 1HG2 VAL 57 1HG2 VAL 57 7.718 -1.593 -1.307 444 2HG2 VAL 57 3HG2 VAL 57 6.135 -2.090 -1.907 445 3HG2 VAL 57 2HG2 VAL 57 7.273 -1.278 -2.984 446 1HA GLY 58 2HA GLY 58 5.072 -3.404 2.045 447 2HA GLY 58 1HA GLY 58 5.544 -3.999 0.462 448 H GLY 58 H GLY 58 4.112 -1.581 0.164 449 1HB TYR 59 2HB TYR 59 1.354 -7.498 -0.644 450 2HB TYR 59 1HB TYR 59 1.615 -5.933 -1.410 451 H TYR 59 H TYR 59 4.173 -5.822 1.012 452 HA TYR 59 HA TYR 59 1.305 -5.239 0.753 453 HD1 TYR 59 HD1 TYR 59 4.134 -5.156 -1.539 454 HD2 TYR 59 HD2 TYR 59 2.884 -9.197 -1.022 455 HE1 TYR 59 HE1 TYR 59 6.304 -5.933 -2.391 456 HE2 TYR 59 HE2 TYR 59 5.053 -9.978 -1.876 457 HH TYR 59 HH TYR 59 7.109 -8.199 -3.588 458 1HB PRO 60 2HB PRO 60 -0.937 -7.378 5.226 459 2HB PRO 60 1HB PRO 60 0.449 -6.353 5.599 460 1HG PRO 60 2HG PRO 60 -1.652 -6.017 3.507 461 2HG PRO 60 1HG PRO 60 -0.887 -4.795 4.536 462 1HD PRO 60 2HD PRO 60 -0.195 -5.175 1.943 463 2HD PRO 60 1HD PRO 60 0.958 -4.623 3.173 464 HA PRO 60 HA PRO 60 1.613 -7.912 4.395 465 1HG1 ILE 61 2HG1 ILE 61 2.448 -10.267 1.387 466 2HG1 ILE 61 1HG1 ILE 61 2.676 -11.586 0.243 467 H ILE 61 H ILE 61 1.675 -9.760 2.961 468 HA ILE 61 HA ILE 61 -0.723 -10.823 1.833 469 HB ILE 61 HB ILE 61 1.763 -12.431 2.351 470 1HG2 ILE 61 3HG2 ILE 61 -0.668 -12.939 1.058 471 2HG2 ILE 61 2HG2 ILE 61 0.525 -12.728 -0.225 472 3HG2 ILE 61 1HG2 ILE 61 0.789 -13.934 1.036 473 1HD1 ILE 61 1HD1 ILE 61 0.118 -10.642 -0.272 474 2HD1 ILE 61 3HD1 ILE 61 1.094 -9.199 0.000 475 3HD1 ILE 61 2HD1 ILE 61 1.572 -10.367 -1.231 476 H VAL 62 H VAL 62 -1.817 -12.723 2.423 477 HA VAL 62 HA VAL 62 -1.313 -13.890 5.037 478 HB VAL 62 HB VAL 62 -3.724 -12.228 4.403 479 1HG1 VAL 62 3HG1 VAL 62 -4.546 -14.509 4.913 480 2HG1 VAL 62 2HG1 VAL 62 -3.701 -14.432 6.459 481 3HG1 VAL 62 1HG1 VAL 62 -5.021 -13.313 6.119 482 1HG2 VAL 62 3HG2 VAL 62 -1.557 -12.217 6.317 483 2HG2 VAL 62 2HG2 VAL 62 -2.697 -10.938 5.897 484 3HG2 VAL 62 1HG2 VAL 62 -3.129 -12.142 7.113 485 1HB LYS 63 2HB LYS 63 -5.570 -14.826 2.119 486 2HB LYS 63 1HB LYS 63 -5.238 -15.033 0.406 487 1HG LYS 63 2HG LYS 63 -5.531 -17.556 1.841 488 2HG LYS 63 1HG LYS 63 -6.971 -16.538 1.889 489 1HD LYS 63 2HD LYS 63 -6.850 -16.326 -0.576 490 2HD LYS 63 1HD LYS 63 -5.487 -17.445 -0.575 491 1HE LYS 63 2HE LYS 63 -6.974 -19.120 0.540 492 2HE LYS 63 1HE LYS 63 -8.318 -18.009 0.284 493 H LYS 63 H LYS 63 -3.094 -13.796 2.024 494 HA LYS 63 HA LYS 63 -3.649 -16.676 2.309 495 1HZ LYS 63 3HZ LYS 63 -6.956 -18.351 -2.144 496 2HZ LYS 63 2HZ LYS 63 -7.273 -19.882 -1.498 497 3HZ LYS 63 1HZ LYS 63 -8.542 -18.794 -1.756 498 1HB PRO 64 2HB PRO 64 -0.467 -19.191 -0.422 499 2HB PRO 64 1HB PRO 64 0.900 -18.095 -0.628 500 1HG PRO 64 2HG PRO 64 0.172 -18.956 1.792 501 2HG PRO 64 1HG PRO 64 0.764 -17.306 1.540 502 1HD PRO 64 2HD PRO 64 -2.013 -18.274 2.007 503 2HD PRO 64 1HD PRO 64 -1.247 -16.750 2.503 504 HA PRO 64 HA PRO 64 -0.447 -16.274 -1.009 505 1HA GLY 65 2HA GLY 65 -2.487 -17.442 -4.620 506 2HA GLY 65 1HA GLY 65 -2.521 -19.059 -3.935 507 H GLY 65 H GLY 65 -0.256 -17.488 -3.086 508 1HB PRO 66 2HB PRO 66 -0.676 -18.470 -9.750 509 2HB PRO 66 1HB PRO 66 -1.769 -19.647 -9.012 510 1HG PRO 66 2HG PRO 66 -1.783 -16.660 -8.817 511 2HG PRO 66 1HG PRO 66 -3.147 -17.776 -9.009 512 1HD PRO 66 2HD PRO 66 -2.376 -16.659 -6.610 513 2HD PRO 66 1HD PRO 66 -3.281 -18.178 -6.762 514 HA PRO 66 HA PRO 66 0.011 -19.832 -7.546 515 1HB ASN 67 2HB ASN 67 1.789 -16.114 -9.277 516 2HB ASN 67 1HB ASN 67 1.717 -14.432 -8.763 517 1HD2 ASN 67 1HD2 ASN 67 3.849 -13.769 -7.585 518 2HD2 ASN 67 2HD2 ASN 67 5.293 -14.161 -8.448 519 H ASN 67 H ASN 67 0.138 -16.612 -6.492 520 HA ASN 67 HA ASN 67 2.870 -16.326 -6.805 521 1HB CYS 68 2HB CYS 68 -0.996 -14.669 -4.126 522 2HB CYS 68 1HB CYS 68 -0.713 -13.542 -2.803 523 H CYS 68 H CYS 68 1.139 -15.813 -4.773 524 HA CYS 68 HA CYS 68 1.300 -12.881 -4.540 525 1HA GLY 69 2HA GLY 69 1.358 -16.084 -0.265 526 2HA GLY 69 1HA GLY 69 2.096 -14.488 -0.256 527 H GLY 69 H GLY 69 0.653 -15.696 -2.438 528 1HB PHE 70 2HB PHE 70 6.251 -14.005 -0.144 529 2HB PHE 70 1HB PHE 70 6.966 -15.069 1.061 530 H PHE 70 H PHE 70 4.142 -14.808 0.361 531 HA PHE 70 HA PHE 70 5.866 -16.373 -1.365 532 HD1 PHE 70 HD1 PHE 70 7.118 -14.110 -2.510 533 HD2 PHE 70 HD2 PHE 70 9.108 -15.956 0.767 534 HE1 PHE 70 HE1 PHE 70 9.195 -14.199 -3.827 535 HE2 PHE 70 HE2 PHE 70 11.189 -16.048 -0.543 536 HZ PHE 70 HZ PHE 70 11.233 -15.169 -2.844 537 1HA GLY 71 1HA GLY 71 5.815 -19.300 2.007 538 2HA GLY 71 2HA GLY 71 4.092 -19.576 1.765 539 H GLY 71 H GLY 71 3.920 -17.263 1.010 540 1HB LYS 72 2HB LYS 72 6.603 -15.687 4.955 541 2HB LYS 72 1HB LYS 72 5.820 -15.392 6.502 542 1HG LYS 72 2HG LYS 72 6.332 -17.942 6.877 543 2HG LYS 72 1HG LYS 72 7.573 -17.639 5.658 544 1HD LYS 72 2HD LYS 72 8.683 -16.088 6.997 545 2HD LYS 72 1HD LYS 72 7.276 -15.831 8.029 546 1HE LYS 72 2HE LYS 72 8.989 -17.125 9.186 547 2HE LYS 72 1HE LYS 72 7.525 -18.080 8.944 548 H LYS 72 H LYS 72 5.382 -16.651 3.195 549 HA LYS 72 HA LYS 72 4.447 -17.553 5.835 550 1HZ LYS 72 2HZ LYS 72 9.732 -18.234 6.998 551 2HZ LYS 72 1HZ LYS 72 9.804 -19.128 8.433 552 3HZ LYS 72 3HZ LYS 72 8.533 -19.376 7.343 553 H THR 73 H THR 73 3.534 -15.800 7.235 554 HA THR 73 HA THR 73 1.762 -14.084 5.628 555 HB THR 73 HB THR 73 0.368 -14.066 7.802 556 HG1 THR 73 HG1 THR 73 1.476 -16.585 8.311 557 1HG2 THR 73 1HG2 THR 73 -0.287 -15.213 5.717 558 2HG2 THR 73 3HG2 THR 73 0.605 -16.641 6.242 559 3HG2 THR 73 2HG2 THR 73 -0.800 -16.095 7.156 560 1HA GLY 74 2HA GLY 74 3.811 -10.870 7.784 561 2HA GLY 74 1HA GLY 74 2.151 -10.295 7.880 562 H GLY 74 H GLY 74 1.950 -11.948 5.813 563 1HG1 ILE 75 1HG1 ILE 75 2.032 -5.128 5.494 564 2HG1 ILE 75 2HG1 ILE 75 1.777 -6.042 6.978 565 H ILE 75 H ILE 75 3.364 -8.215 7.508 566 HA ILE 75 HA ILE 75 2.880 -7.291 4.903 567 HB ILE 75 HB ILE 75 4.240 -6.146 7.296 568 1HG2 ILE 75 1HG2 ILE 75 4.441 -5.027 4.509 569 2HG2 ILE 75 3HG2 ILE 75 4.692 -4.063 5.964 570 3HG2 ILE 75 2HG2 ILE 75 5.757 -5.424 5.614 571 1HD1 ILE 75 1HD1 ILE 75 3.077 -4.172 8.132 572 2HD1 ILE 75 3HD1 ILE 75 2.811 -3.255 6.649 573 3HD1 ILE 75 2HD1 ILE 75 1.434 -3.829 7.591 574 1HG1 ILE 76 1HG1 ILE 76 4.927 -10.006 3.052 575 2HG1 ILE 76 2HG1 ILE 76 3.940 -9.989 1.595 576 H ILE 76 H ILE 76 4.027 -7.433 3.101 577 HA ILE 76 HA ILE 76 6.804 -8.357 3.266 578 HB ILE 76 HB ILE 76 5.053 -8.211 0.815 579 1HG2 ILE 76 2HG2 ILE 76 7.563 -8.273 0.559 580 2HG2 ILE 76 1HG2 ILE 76 7.510 -9.883 1.278 581 3HG2 ILE 76 3HG2 ILE 76 6.674 -9.568 -0.244 582 1HD1 ILE 76 2HD1 ILE 76 6.627 -11.316 1.792 583 2HD1 ILE 76 1HD1 ILE 76 5.085 -12.139 2.023 584 3HD1 ILE 76 3HD1 ILE 76 5.476 -11.421 0.461 585 1HB ASP 77 2HB ASP 77 6.755 -3.081 2.938 586 2HB ASP 77 1HB ASP 77 7.285 -3.944 4.376 587 H ASP 77 H ASP 77 7.736 -6.342 3.793 588 HA ASP 77 HA ASP 77 7.868 -4.477 1.521 589 1HB TYR 78 2HB TYR 78 11.448 -4.948 -0.512 590 2HB TYR 78 1HB TYR 78 12.938 -4.058 -0.212 591 H TYR 78 H TYR 78 9.852 -4.174 0.763 592 HA TYR 78 HA TYR 78 12.115 -5.240 2.246 593 HD1 TYR 78 HD1 TYR 78 14.918 -5.252 0.717 594 HD2 TYR 78 HD2 TYR 78 11.414 -7.327 -0.515 595 HE1 TYR 78 HE1 TYR 78 16.194 -7.354 0.645 596 HE2 TYR 78 HE2 TYR 78 12.680 -9.434 -0.589 597 HH TYR 78 HH TYR 78 15.657 -9.842 0.828 598 1HA GLY 79 2HA GLY 79 12.909 -1.060 3.449 599 2HA GLY 79 1HA GLY 79 11.234 -0.533 3.595 600 H GLY 79 H GLY 79 10.575 -2.503 2.562 601 1HG1 ILE 80 1HG1 ILE 80 11.641 3.202 3.278 602 2HG1 ILE 80 2HG1 ILE 80 12.393 4.793 3.333 603 H ILE 80 H ILE 80 12.267 1.561 2.977 604 HA ILE 80 HA ILE 80 11.548 2.412 0.490 605 HB ILE 80 HB ILE 80 13.886 3.520 2.045 606 1HG2 ILE 80 1HG2 ILE 80 12.060 4.765 -0.003 607 2HG2 ILE 80 3HG2 ILE 80 13.244 5.648 0.960 608 3HG2 ILE 80 2HG2 ILE 80 13.779 4.419 -0.186 609 1HD1 ILE 80 1HD1 ILE 80 10.893 5.538 1.537 610 2HD1 ILE 80 3HD1 ILE 80 10.116 3.955 1.555 611 3HD1 ILE 80 2HD1 ILE 80 10.021 5.000 2.973 612 1HB ARG 81 2HB ARG 81 13.009 1.681 -4.153 613 2HB ARG 81 1HB ARG 81 14.063 0.277 -4.052 614 1HG ARG 81 2HG ARG 81 11.663 0.593 -2.280 615 2HG ARG 81 1HG ARG 81 11.561 -0.126 -3.889 616 1HD ARG 81 2HD ARG 81 13.290 -1.089 -1.613 617 2HD ARG 81 1HD ARG 81 11.802 -1.847 -2.181 618 1HH1 ARG 81 2HH1 ARG 81 14.957 -1.234 -1.631 619 2HH1 ARG 81 1HH1 ARG 81 16.409 -1.937 -2.260 620 1HH2 ARG 81 2HH2 ARG 81 14.857 -3.354 -5.055 621 2HH2 ARG 81 1HH2 ARG 81 16.352 -3.143 -4.207 622 H ARG 81 H ARG 81 12.346 2.323 -1.529 623 HA ARG 81 HA ARG 81 14.838 0.846 -1.931 624 HE ARG 81 HE ARG 81 12.950 -2.422 -4.217 625 1HB LEU 82 2HB LEU 82 17.484 3.677 -2.172 626 2HB LEU 82 1HB LEU 82 17.533 4.681 -3.607 627 H LEU 82 H LEU 82 14.690 3.714 -1.118 628 HA LEU 82 HA LEU 82 15.694 5.703 -1.587 629 HG LEU 82 HG LEU 82 19.279 5.301 -2.009 630 1HD1 LEU 82 3HD1 LEU 82 18.075 6.982 -3.497 631 2HD1 LEU 82 2HD1 LEU 82 17.234 7.499 -2.034 632 3HD1 LEU 82 1HD1 LEU 82 18.991 7.624 -2.133 633 1HD2 LEU 82 1HD2 LEU 82 17.483 4.740 -0.067 634 2HD2 LEU 82 3HD2 LEU 82 18.948 5.692 0.179 635 3HD2 LEU 82 2HD2 LEU 82 17.404 6.502 -0.091 636 1HB ASN 83 2HB ASN 83 14.978 4.856 -6.512 637 2HB ASN 83 1HB ASN 83 13.562 3.816 -6.387 638 1HD2 ASN 83 2HD2 ASN 83 12.285 3.761 -8.081 639 2HD2 ASN 83 1HD2 ASN 83 12.163 4.974 -9.305 640 H ASN 83 H ASN 83 13.602 4.478 -3.503 641 HA ASN 83 HA ASN 83 13.696 6.670 -5.393 642 1HB ARG 84 2HB ARG 84 8.350 7.839 -3.606 643 2HB ARG 84 1HB ARG 84 9.939 7.835 -2.855 644 1HG ARG 84 2HG ARG 84 10.676 9.195 -4.913 645 2HG ARG 84 1HG ARG 84 8.950 9.465 -5.159 646 1HD ARG 84 2HD ARG 84 9.091 11.153 -3.722 647 2HD ARG 84 1HD ARG 84 9.375 9.964 -2.452 648 1HH1 ARG 84 2HH1 ARG 84 10.033 10.384 -0.968 649 2HH1 ARG 84 1HH1 ARG 84 11.375 10.891 0.002 650 1HH2 ARG 84 1HH2 ARG 84 13.375 11.795 -2.718 651 2HH2 ARG 84 2HH2 ARG 84 13.274 11.692 -0.992 652 H ARG 84 H ARG 84 11.790 7.478 -4.661 653 HA ARG 84 HA ARG 84 9.509 5.792 -4.181 654 HE ARG 84 HE ARG 84 11.600 11.126 -3.988 655 1HB SER 85 2HB SER 85 11.242 6.693 -9.075 656 2HB SER 85 1HB SER 85 10.045 6.602 -10.368 657 H SER 85 H SER 85 10.664 5.841 -6.894 658 HA SER 85 HA SER 85 8.332 6.854 -8.383 659 HG SER 85 HG SER 85 9.903 8.645 -8.438 660 1HB GLU 86 2HB GLU 86 8.114 1.724 -6.338 661 2HB GLU 86 1HB GLU 86 8.881 0.614 -7.466 662 1HG GLU 86 2HG GLU 86 10.585 2.872 -6.926 663 2HG GLU 86 1HG GLU 86 10.100 2.066 -5.434 664 H GLU 86 H GLU 86 8.895 4.196 -7.002 665 HA GLU 86 HA GLU 86 9.077 2.285 -9.139 666 1HB ARG 87 2HB ARG 87 4.237 0.153 -11.233 667 2HB ARG 87 1HB ARG 87 5.848 0.753 -11.597 668 1HG ARG 87 2HG ARG 87 6.684 -1.284 -11.446 669 2HG ARG 87 1HG ARG 87 6.064 -1.454 -9.803 670 1HD ARG 87 2HD ARG 87 3.926 -2.214 -10.657 671 2HD ARG 87 1HD ARG 87 4.475 -1.965 -12.315 672 1HH1 ARG 87 1HH1 ARG 87 3.278 -3.480 -12.777 673 2HH1 ARG 87 2HH1 ARG 87 3.296 -5.140 -13.273 674 1HH2 ARG 87 2HH2 ARG 87 6.172 -5.950 -11.456 675 2HH2 ARG 87 1HH2 ARG 87 4.942 -6.544 -12.521 676 H ARG 87 H ARG 87 7.355 0.553 -9.323 677 HA ARG 87 HA ARG 87 4.767 1.873 -9.646 678 HE ARG 87 HE ARG 87 6.137 -3.763 -10.810 679 1HB TRP 88 2HB TRP 88 3.917 1.162 -5.340 680 2HB TRP 88 1HB TRP 88 2.909 -0.102 -4.646 681 H TRP 88 H TRP 88 3.333 1.595 -8.084 682 HA TRP 88 HA TRP 88 2.792 -1.050 -7.044 683 HD1 TRP 88 HD1 TRP 88 6.357 0.665 -4.867 684 HE1 TRP 88 HE1 TRP 88 7.852 -1.429 -4.812 685 HE3 TRP 88 HE3 TRP 88 2.828 -2.870 -5.934 686 HZ2 TRP 88 HZ2 TRP 88 7.565 -4.218 -5.169 687 HZ3 TRP 88 HZ3 TRP 88 3.519 -5.228 -6.061 688 HH2 TRP 88 HH2 TRP 88 5.840 -5.886 -5.687 689 1HB ASP 89 2HB ASP 89 -0.863 -1.233 -4.328 690 2HB ASP 89 1HB ASP 89 -2.222 -0.124 -4.158 691 H ASP 89 H ASP 89 1.171 -0.443 -4.949 692 HA ASP 89 HA ASP 89 -1.004 1.010 -6.271 693 H ALA 90 H ALA 90 -2.278 1.090 -3.482 694 HA ALA 90 HA ALA 90 -0.710 2.917 -1.955 695 1HB ALA 90 1HB ALA 90 -1.147 4.639 -3.397 696 2HB ALA 90 2HB ALA 90 -2.525 4.778 -2.301 697 3HB ALA 90 3HB ALA 90 -2.721 3.993 -3.868 698 1HB TYR 91 2HB TYR 91 -1.293 1.447 2.094 699 2HB TYR 91 1HB TYR 91 -2.782 1.138 2.979 700 H TYR 91 H TYR 91 -1.251 2.361 0.037 701 HA TYR 91 HA TYR 91 -3.877 1.268 0.595 702 HD1 TYR 91 HD1 TYR 91 -4.308 -0.705 1.578 703 HD2 TYR 91 HD2 TYR 91 -0.064 -0.455 1.692 704 HE1 TYR 91 HE1 TYR 91 -4.161 -3.093 1.002 705 HE2 TYR 91 HE2 TYR 91 0.098 -2.842 1.119 706 HH TYR 91 HH TYR 91 -1.064 -4.776 0.944 707 1HB CYS 92 2HB CYS 92 -7.227 4.265 0.665 708 2HB CYS 92 1HB CYS 92 -7.156 5.959 1.125 709 H CYS 92 H CYS 92 -4.965 3.318 0.134 710 HA CYS 92 HA CYS 92 -4.685 5.710 1.412 711 1HB TYR 93 2HB TYR 93 -4.567 4.928 5.633 712 2HB TYR 93 1HB TYR 93 -4.633 6.676 5.840 713 H TYR 93 H TYR 93 -5.992 6.677 3.151 714 HA TYR 93 HA TYR 93 -7.030 4.940 5.203 715 HD1 TYR 93 HD1 TYR 93 -6.642 7.385 7.562 716 HD2 TYR 93 HD2 TYR 93 -4.497 3.710 7.582 717 HE1 TYR 93 HE1 TYR 93 -7.195 7.085 9.937 718 HE2 TYR 93 HE2 TYR 93 -5.046 3.398 9.958 719 HH TYR 93 HH TYR 93 -5.651 4.985 11.933 720 1HB ASN 94 2HB ASN 94 -9.166 8.887 4.478 721 2HB ASN 94 1HB ASN 94 -10.484 7.740 4.696 722 1HD2 ASN 94 1HD2 ASN 94 -9.515 10.991 4.845 723 2HD2 ASN 94 2HD2 ASN 94 -11.003 11.650 5.428 724 H ASN 94 H ASN 94 -8.603 5.950 6.309 725 HA ASN 94 HA ASN 94 -8.608 8.742 6.846 726 1HB PRO 95 2HB PRO 95 -11.770 9.246 11.230 727 2HB PRO 95 1HB PRO 95 -10.284 8.353 11.575 728 1HG PRO 95 2HG PRO 95 -10.719 10.689 9.767 729 2HG PRO 95 1HG PRO 95 -9.348 10.334 10.831 730 1HD PRO 95 2HD PRO 95 -9.213 9.949 8.178 731 2HD PRO 95 1HD PRO 95 -8.396 8.863 9.321 732 HA PRO 95 HA PRO 95 -11.052 6.841 10.055 733 1HB HIS 96 2HB HIS 96 -14.030 11.148 8.340 734 2HB HIS 96 1HB HIS 96 -13.944 10.882 6.600 735 H HIS 96 H HIS 96 -12.125 9.331 7.853 736 HA HIS 96 HA HIS 96 -14.931 8.755 8.496 737 HD1 HIS 96 HD1 HIS 96 -15.752 12.620 6.074 738 HD2 HIS 96 HD2 HIS 96 -17.039 9.583 8.601 739 HE1 HIS 96 HE1 HIS 96 -18.254 12.851 6.182 740 HE2 HIS 96 HE2 HIS 96 -19.004 11.048 7.775 741 H ALA 97 H ALA 97 -12.697 7.405 6.651 742 HA ALA 97 HA ALA 97 -14.074 7.288 4.118 743 1HB ALA 97 2HB ALA 97 -12.199 5.262 4.099 744 2HB ALA 97 1HB ALA 97 -11.957 6.909 3.519 745 3HB ALA 97 3HB ALA 97 -11.486 6.475 5.162 746 1HB LYS 98 2HB LYS 98 -15.095 3.994 7.577 747 2HB LYS 98 1HB LYS 98 -16.697 4.420 8.163 748 1HG LYS 98 2HG LYS 98 -17.147 2.263 8.355 749 2HG LYS 98 1HG LYS 98 -17.033 2.116 6.601 750 1HD LYS 98 2HD LYS 98 -14.531 2.093 8.225 751 2HD LYS 98 1HD LYS 98 -15.533 0.642 8.173 752 1HE LYS 98 2HE LYS 98 -14.779 2.028 5.635 753 2HE LYS 98 1HE LYS 98 -13.621 0.966 6.435 754 H LYS 98 H LYS 98 -15.841 6.518 6.033 755 HA LYS 98 HA LYS 98 -16.345 3.756 5.269 756 1HZ LYS 98 1HZ LYS 98 -15.905 -0.495 6.419 757 2HZ LYS 98 3HZ LYS 98 -15.967 0.299 4.927 758 3HZ LYS 98 2HZ LYS 98 -14.631 -0.658 5.320 No H/Q in entry = 758 Start of MODEL 12 1 1HA GLY 1 2HA GLY 1 -8.906 2.027 8.948 2 2HA GLY 1 1HA GLY 1 -9.754 3.522 8.583 3 H1 GLY 1 2H GLY 1 -10.749 1.099 7.303 4 H2 GLY 1 1H GLY 1 -11.004 1.240 8.969 5 H3 GLY 1 3H GLY 1 -11.598 2.426 7.918 6 H VAL 2 H VAL 2 -7.270 1.552 7.648 7 HA VAL 2 HA VAL 2 -6.818 3.060 5.252 8 HB VAL 2 HB VAL 2 -4.810 2.612 6.269 9 1HG1 VAL 2 2HG1 VAL 2 -6.212 0.332 7.322 10 2HG1 VAL 2 1HG1 VAL 2 -4.594 -0.124 6.790 11 3HG1 VAL 2 3HG1 VAL 2 -4.802 1.176 7.963 12 1HG2 VAL 2 2HG2 VAL 2 -4.701 1.910 3.913 13 2HG2 VAL 2 1HG2 VAL 2 -3.570 1.012 4.924 14 3HG2 VAL 2 3HG2 VAL 2 -5.075 0.257 4.397 15 1HB TYR 3 2HB TYR 3 -9.482 0.876 0.770 16 2HB TYR 3 1HB TYR 3 -10.113 0.902 2.407 17 H TYR 3 H TYR 3 -7.298 2.533 3.218 18 HA TYR 3 HA TYR 3 -8.120 -0.238 2.678 19 HD1 TYR 3 HD1 TYR 3 -8.797 3.125 3.689 20 HD2 TYR 3 HD2 TYR 3 -10.125 2.779 -0.336 21 HE1 TYR 3 HE1 TYR 3 -9.007 5.572 3.555 22 HE2 TYR 3 HE2 TYR 3 -10.333 5.224 -0.484 23 HH TYR 3 HH TYR 3 -8.972 7.322 1.716 24 1HB HIS 4 2HB HIS 4 -5.212 -2.444 -0.019 25 2HB HIS 4 1HB HIS 4 -6.751 -2.614 -0.840 26 H HIS 4 H HIS 4 -7.602 -1.119 0.694 27 HA HIS 4 HA HIS 4 -5.138 -0.110 -0.426 28 HD1 HIS 4 HD1 HIS 4 -6.636 -3.403 -3.183 29 HD2 HIS 4 HD2 HIS 4 -3.060 -1.693 -1.938 30 HE1 HIS 4 HE1 HIS 4 -5.037 -3.722 -5.096 31 HE2 HIS 4 HE2 HIS 4 -2.919 -2.568 -4.367 32 1HB ARG 5 2HB ARG 5 -5.460 3.095 -3.352 33 2HB ARG 5 1HB ARG 5 -6.436 3.155 -4.811 34 1HG ARG 5 2HG ARG 5 -7.514 2.563 -2.064 35 2HG ARG 5 1HG ARG 5 -7.537 4.149 -2.836 36 1HD ARG 5 2HD ARG 5 -8.818 3.113 -4.723 37 2HD ARG 5 1HD ARG 5 -8.935 1.645 -3.755 38 1HH1 ARG 5 2HH1 ARG 5 -10.565 1.007 -3.984 39 2HH1 ARG 5 1HH1 ARG 5 -12.206 0.954 -3.433 40 1HH2 ARG 5 2HH2 ARG 5 -12.092 4.086 -1.884 41 2HH2 ARG 5 1HH2 ARG 5 -13.074 2.705 -2.239 42 H ARG 5 H ARG 5 -4.810 0.591 -2.504 43 HA ARG 5 HA ARG 5 -7.113 0.757 -4.303 44 HE ARG 5 HE ARG 5 -9.932 4.146 -2.617 45 1HB GLU 6 2HB GLU 6 -6.367 -0.538 -8.110 46 2HB GLU 6 1HB GLU 6 -5.612 0.356 -9.420 47 1HG GLU 6 2HG GLU 6 -4.901 -1.758 -9.885 48 2HG GLU 6 1HG GLU 6 -3.566 -1.185 -8.886 49 H GLU 6 H GLU 6 -6.551 1.134 -6.517 50 HA GLU 6 HA GLU 6 -3.842 0.199 -7.142 51 H ALA 7 H ALA 7 -3.631 0.996 -9.746 52 HA ALA 7 HA ALA 7 -3.258 3.891 -9.432 53 1HB ALA 7 1HB ALA 7 -1.531 3.760 -11.048 54 2HB ALA 7 3HB ALA 7 -1.299 2.389 -9.963 55 3HB ALA 7 2HB ALA 7 -2.026 2.144 -11.551 56 1HB ARG 8 2HB ARG 8 -3.944 6.837 -12.628 57 2HB ARG 8 1HB ARG 8 -4.523 6.515 -14.256 58 1HG ARG 8 2HG ARG 8 -6.268 7.397 -11.967 59 2HG ARG 8 1HG ARG 8 -5.586 8.474 -13.188 60 1HD ARG 8 2HD ARG 8 -7.013 6.161 -14.279 61 2HD ARG 8 1HD ARG 8 -8.026 7.263 -13.348 62 1HH1 ARG 8 1HH1 ARG 8 -8.629 6.102 -15.494 63 2HH1 ARG 8 2HH1 ARG 8 -9.168 6.605 -17.062 64 1HH2 ARG 8 1HH2 ARG 8 -7.327 9.577 -17.060 65 2HH2 ARG 8 2HH2 ARG 8 -8.428 8.580 -17.952 66 H ARG 8 H ARG 8 -3.520 5.218 -11.427 67 HA ARG 8 HA ARG 8 -6.125 5.023 -12.425 68 HE ARG 8 HE ARG 8 -6.625 8.906 -14.997 69 1HB SER 9 2HB SER 9 -1.875 3.592 -15.465 70 2HB SER 9 1HB SER 9 -1.663 1.844 -15.365 71 H SER 9 H SER 9 -3.234 3.481 -13.422 72 HA SER 9 HA SER 9 -4.397 2.757 -16.016 73 HG SER 9 HG SER 9 -2.643 3.352 -17.554 74 1HA GLY 10 2HA GLY 10 -3.307 -1.367 -13.967 75 2HA GLY 10 1HA GLY 10 -4.604 -0.828 -12.913 76 H GLY 10 H GLY 10 -2.856 1.303 -13.173 77 1HB LYS 11 2HB LYS 11 -3.095 -4.269 -9.940 78 2HB LYS 11 1HB LYS 11 -1.752 -4.714 -10.984 79 1HG LYS 11 2HG LYS 11 -0.232 -4.753 -9.204 80 2HG LYS 11 1HG LYS 11 -1.324 -3.861 -8.142 81 1HD LYS 11 2HD LYS 11 -2.094 -5.790 -7.356 82 2HD LYS 11 1HD LYS 11 -2.696 -6.184 -8.967 83 1HE LYS 11 2HE LYS 11 -0.408 -7.060 -9.503 84 2HE LYS 11 1HE LYS 11 0.001 -6.849 -7.801 85 H LYS 11 H LYS 11 -3.098 -2.921 -12.107 86 HA LYS 11 HA LYS 11 -2.107 -2.045 -9.607 87 1HZ LYS 11 1HZ LYS 11 -2.271 -8.246 -7.628 88 2HZ LYS 11 3HZ LYS 11 -1.639 -8.868 -9.069 89 3HZ LYS 11 2HZ LYS 11 -0.731 -8.947 -7.644 90 1HB TYR 12 2HB TYR 12 2.249 -3.434 -10.932 91 2HB TYR 12 1HB TYR 12 3.644 -2.725 -10.126 92 H TYR 12 H TYR 12 -0.058 -1.748 -8.850 93 HA TYR 12 HA TYR 12 2.145 -1.177 -8.918 94 HD1 TYR 12 HD1 TYR 12 1.437 -2.576 -7.591 95 HD2 TYR 12 HD2 TYR 12 3.403 -5.537 -9.931 96 HE1 TYR 12 HE1 TYR 12 1.200 -4.183 -5.747 97 HE2 TYR 12 HE2 TYR 12 3.166 -7.154 -8.093 98 HH TYR 12 HH TYR 12 2.901 -6.870 -5.416 99 1HB LYS 13 2HB LYS 13 -0.327 1.475 -12.504 100 2HB LYS 13 1HB LYS 13 0.719 2.184 -13.726 101 1HG LYS 13 2HG LYS 13 1.279 -0.630 -13.284 102 2HG LYS 13 1HG LYS 13 -0.386 -0.333 -13.788 103 1HD LYS 13 2HD LYS 13 0.639 1.153 -15.612 104 2HD LYS 13 1HD LYS 13 2.161 0.349 -15.221 105 1HE LYS 13 2HE LYS 13 0.545 -1.791 -15.461 106 2HE LYS 13 1HE LYS 13 -0.238 -0.688 -16.590 107 H LYS 13 H LYS 13 1.023 0.749 -10.135 108 HA LYS 13 HA LYS 13 2.685 1.268 -12.470 109 1HZ LYS 13 2HZ LYS 13 2.671 -1.223 -16.675 110 2HZ LYS 13 1HZ LYS 13 1.556 -2.172 -17.522 111 3HZ LYS 13 3HZ LYS 13 1.702 -0.524 -17.871 112 1HB LEU 14 2HB LEU 14 0.239 5.543 -8.288 113 2HB LEU 14 1HB LEU 14 -0.599 4.331 -9.225 114 H LEU 14 H LEU 14 1.242 2.281 -9.611 115 HA LEU 14 HA LEU 14 1.467 5.117 -10.295 116 HG LEU 14 HG LEU 14 0.917 2.789 -7.556 117 1HD1 LEU 14 3HD1 LEU 14 0.590 5.435 -6.348 118 2HD1 LEU 14 2HD1 LEU 14 0.056 4.096 -5.333 119 3HD1 LEU 14 1HD1 LEU 14 1.708 4.131 -5.948 120 1HD2 LEU 14 1HD2 LEU 14 -1.888 3.840 -7.306 121 2HD2 LEU 14 3HD2 LEU 14 -1.353 2.299 -7.973 122 3HD2 LEU 14 2HD2 LEU 14 -1.238 2.596 -6.238 123 H THR 15 H THR 15 2.367 6.522 -8.492 124 HA THR 15 HA THR 15 4.792 5.249 -7.393 125 HB THR 15 HB THR 15 6.039 7.222 -7.775 126 HG1 THR 15 HG1 THR 15 3.568 8.479 -8.454 127 1HG2 THR 15 2HG2 THR 15 4.620 5.987 -9.931 128 2HG2 THR 15 1HG2 THR 15 4.862 7.695 -10.300 129 3HG2 THR 15 3HG2 THR 15 6.247 6.668 -9.922 130 1HB TYR 16 2HB TYR 16 6.404 7.477 -3.423 131 2HB TYR 16 1HB TYR 16 6.382 9.072 -4.168 132 H TYR 16 H TYR 16 5.565 7.673 -6.016 133 HA TYR 16 HA TYR 16 3.972 7.319 -3.630 134 HD1 TYR 16 HD1 TYR 16 5.062 7.211 -1.222 135 HD2 TYR 16 HD2 TYR 16 6.233 10.971 -2.831 136 HE1 TYR 16 HE1 TYR 16 4.791 8.237 0.995 137 HE2 TYR 16 HE2 TYR 16 5.968 12.008 -0.617 138 HH TYR 16 HH TYR 16 5.003 11.693 1.461 139 H ALA 17 H ALA 17 4.904 10.051 -5.711 140 HA ALA 17 HA ALA 17 3.227 11.953 -4.487 141 1HB ALA 17 3HB ALA 17 5.125 12.502 -5.988 142 2HB ALA 17 2HB ALA 17 4.170 11.921 -7.352 143 3HB ALA 17 1HB ALA 17 3.629 13.324 -6.431 144 1HB GLU 18 2HB GLU 18 1.628 7.914 -8.163 145 2HB GLU 18 1HB GLU 18 -0.022 8.117 -8.735 146 1HG GLU 18 2HG GLU 18 0.587 9.620 -10.370 147 2HG GLU 18 1HG GLU 18 2.071 10.082 -9.537 148 H GLU 18 H GLU 18 2.709 9.538 -6.958 149 HA GLU 18 HA GLU 18 0.165 10.524 -7.822 150 H ALA 19 H ALA 19 1.110 7.663 -5.936 151 HA ALA 19 HA ALA 19 -1.324 6.760 -5.103 152 1HB ALA 19 1HB ALA 19 0.092 5.348 -4.129 153 2HB ALA 19 2HB ALA 19 0.288 6.532 -2.836 154 3HB ALA 19 3HB ALA 19 1.402 6.529 -4.205 155 1HB LYS 20 2HB LYS 20 1.286 10.753 -1.919 156 2HB LYS 20 1HB LYS 20 0.533 11.976 -2.932 157 1HG LYS 20 2HG LYS 20 -0.504 13.012 -1.125 158 2HG LYS 20 1HG LYS 20 -0.315 11.598 -0.087 159 1HD LYS 20 2HD LYS 20 2.249 12.064 -0.510 160 2HD LYS 20 1HD LYS 20 1.660 13.700 -0.819 161 1HE LYS 20 2HE LYS 20 2.038 13.835 1.429 162 2HE LYS 20 1HE LYS 20 0.359 13.298 1.432 163 H LYS 20 H LYS 20 0.574 9.375 -3.670 164 HA LYS 20 HA LYS 20 -1.066 9.884 -1.471 165 1HZ LYS 20 1HZ LYS 20 2.505 11.292 1.478 166 2HZ LYS 20 3HZ LYS 20 2.110 12.108 2.907 167 3HZ LYS 20 2HZ LYS 20 0.934 11.198 2.099 168 H ALA 21 H ALA 21 -1.027 11.334 -4.709 169 HA ALA 21 HA ALA 21 -3.108 13.177 -4.268 170 1HB ALA 21 3HB ALA 21 -3.102 13.553 -6.578 171 2HB ALA 21 2HB ALA 21 -1.447 13.061 -6.217 172 3HB ALA 21 1HB ALA 21 -2.573 11.909 -6.935 173 H VAL 22 H VAL 22 -3.149 9.865 -5.545 174 HA VAL 22 HA VAL 22 -5.838 9.676 -6.202 175 HB VAL 22 HB VAL 22 -3.700 7.759 -5.507 176 1HG1 VAL 22 1HG1 VAL 22 -6.607 6.982 -5.379 177 2HG1 VAL 22 3HG1 VAL 22 -5.250 5.856 -5.414 178 3HG1 VAL 22 2HG1 VAL 22 -5.451 6.952 -4.047 179 1HG2 VAL 22 3HG2 VAL 22 -4.154 8.444 -7.803 180 2HG2 VAL 22 2HG2 VAL 22 -4.432 6.715 -7.586 181 3HG2 VAL 22 1HG2 VAL 22 -5.800 7.825 -7.669 182 1HB CYS 23 2HB CYS 23 -3.721 9.272 -1.032 183 2HB CYS 23 1HB CYS 23 -4.901 9.473 0.258 184 H CYS 23 H CYS 23 -4.204 9.283 -3.113 185 HA CYS 23 HA CYS 23 -6.491 8.419 -1.655 186 1HB GLU 24 2HB GLU 24 -4.130 13.457 -1.504 187 2HB GLU 24 1HB GLU 24 -5.294 14.694 -1.956 188 1HG GLU 24 2HG GLU 24 -5.684 15.118 0.463 189 2HG GLU 24 1HG GLU 24 -4.380 13.986 0.822 190 H GLU 24 H GLU 24 -4.704 11.490 -1.609 191 HA GLU 24 HA GLU 24 -6.548 12.933 -0.094 192 1HB PHE 25 2HB PHE 25 -7.323 12.331 -5.747 193 2HB PHE 25 1HB PHE 25 -8.161 10.906 -5.142 194 H PHE 25 H PHE 25 -6.944 11.669 -3.153 195 HA PHE 25 HA PHE 25 -8.612 13.759 -4.234 196 HD1 PHE 25 HD1 PHE 25 -8.688 14.107 -6.934 197 HD2 PHE 25 HD2 PHE 25 -10.170 10.208 -6.094 198 HE1 PHE 25 HE1 PHE 25 -10.420 14.399 -8.657 199 HE2 PHE 25 HE2 PHE 25 -11.905 10.492 -7.816 200 HZ PHE 25 HZ PHE 25 -12.031 12.590 -9.099 201 1HB GLU 26 2HB GLU 26 -9.910 8.876 -1.691 202 2HB GLU 26 1HB GLU 26 -11.560 8.800 -1.090 203 1HG GLU 26 2HG GLU 26 -11.708 9.051 -3.895 204 2HG GLU 26 1HG GLU 26 -10.495 7.823 -3.540 205 H GLU 26 H GLU 26 -8.995 10.764 -2.474 206 HA GLU 26 HA GLU 26 -11.893 10.859 -2.716 207 1HA GLY 27 1HA GLY 27 -11.586 12.791 1.292 208 2HA GLY 27 2HA GLY 27 -10.242 13.851 0.886 209 H GLY 27 H GLY 27 -9.628 12.338 -0.851 210 1HA GLY 28 2HA GLY 28 -8.071 9.660 2.599 211 2HA GLY 28 1HA GLY 28 -8.041 11.105 3.601 212 H GLY 28 H GLY 28 -8.567 11.271 0.700 213 1HB HIS 29 2HB HIS 29 -2.631 10.576 4.163 214 2HB HIS 29 1HB HIS 29 -3.060 11.980 3.191 215 H HIS 29 H HIS 29 -5.878 9.419 3.498 216 HA HIS 29 HA HIS 29 -3.942 10.602 1.667 217 HD1 HIS 29 HD1 HIS 29 -4.704 9.750 5.802 218 HD2 HIS 29 HD2 HIS 29 -4.728 13.685 4.466 219 HE1 HIS 29 HE1 HIS 29 -6.236 10.983 7.369 220 HE2 HIS 29 HE2 HIS 29 -6.307 13.341 6.486 221 1HB LEU 30 2HB LEU 30 0.400 8.511 2.172 222 2HB LEU 30 1HB LEU 30 0.519 6.781 1.944 223 H LEU 30 H LEU 30 -1.709 9.545 2.078 224 HA LEU 30 HA LEU 30 -2.015 6.752 1.793 225 HG LEU 30 HG LEU 30 -0.504 8.822 -0.022 226 1HD1 LEU 30 2HD1 LEU 30 2.029 8.115 0.422 227 2HD1 LEU 30 1HD1 LEU 30 1.567 6.812 -0.672 228 3HD1 LEU 30 3HD1 LEU 30 1.412 8.491 -1.186 229 1HD2 LEU 30 1HD2 LEU 30 -1.609 6.353 0.259 230 2HD2 LEU 30 3HD2 LEU 30 -1.534 7.257 -1.253 231 3HD2 LEU 30 2HD2 LEU 30 -0.316 6.033 -0.896 232 H ALA 31 H ALA 31 -2.104 5.193 3.283 233 HA ALA 31 HA ALA 31 -2.121 5.751 6.045 234 1HB ALA 31 3HB ALA 31 -2.266 3.309 4.384 235 2HB ALA 31 2HB ALA 31 -1.809 3.109 6.076 236 3HB ALA 31 1HB ALA 31 -3.340 3.881 5.661 237 H THR 32 H THR 32 -0.717 3.711 7.235 238 HA THR 32 HA THR 32 2.095 4.211 6.563 239 HB THR 32 HB THR 32 2.669 5.097 8.552 240 HG1 THR 32 HG1 THR 32 1.361 4.458 10.523 241 1HG2 THR 32 2HG2 THR 32 -0.220 5.675 8.195 242 2HG2 THR 32 1HG2 THR 32 0.526 6.153 9.720 243 3HG2 THR 32 3HG2 THR 32 1.161 6.772 8.196 244 1HB TYR 33 2HB TYR 33 5.247 1.191 7.758 245 2HB TYR 33 1HB TYR 33 4.900 0.908 9.458 246 H TYR 33 H TYR 33 3.573 2.731 7.811 247 HA TYR 33 HA TYR 33 2.970 0.067 7.308 248 HD1 TYR 33 HD1 TYR 33 5.604 -0.719 6.231 249 HD2 TYR 33 HD2 TYR 33 5.047 -1.283 10.411 250 HE1 TYR 33 HE1 TYR 33 6.505 -2.999 6.038 251 HE2 TYR 33 HE2 TYR 33 5.946 -3.564 10.229 252 HH TYR 33 HH TYR 33 7.607 -4.677 7.525 253 1HB LYS 34 2HB LYS 34 2.782 2.298 12.442 254 2HB LYS 34 1HB LYS 34 1.060 2.266 12.788 255 1HG LYS 34 2HG LYS 34 1.310 0.952 14.638 256 2HG LYS 34 1HG LYS 34 2.792 0.201 14.040 257 1HD LYS 34 2HD LYS 34 3.393 2.918 14.303 258 2HD LYS 34 1HD LYS 34 2.461 2.505 15.744 259 1HE LYS 34 2HE LYS 34 4.039 1.048 16.518 260 2HE LYS 34 1HE LYS 34 4.607 0.635 14.900 261 H LYS 34 H LYS 34 2.997 1.764 10.427 262 HA LYS 34 HA LYS 34 2.178 -0.346 12.041 263 1HZ LYS 34 2HZ LYS 34 5.081 3.318 16.032 264 2HZ LYS 34 1HZ LYS 34 6.116 2.030 16.393 265 3HZ LYS 34 3HZ LYS 34 5.914 2.530 14.789 266 1HB GLN 35 2HB GLN 35 -1.593 2.572 8.676 267 2HB GLN 35 1HB GLN 35 -3.197 2.470 9.380 268 1HG GLN 35 2HG GLN 35 -2.454 3.793 11.289 269 2HG GLN 35 1HG GLN 35 -0.838 3.891 10.590 270 1HE2 GLN 35 1HE2 GLN 35 -2.924 5.935 11.258 271 2HE2 GLN 35 2HE2 GLN 35 -3.108 6.859 9.810 272 H GLN 35 H GLN 35 0.201 2.122 10.415 273 HA GLN 35 HA GLN 35 -2.292 1.224 11.290 274 1HB LEU 36 2HB LEU 36 0.600 -0.805 7.021 275 2HB LEU 36 1HB LEU 36 0.425 -2.548 7.012 276 H LEU 36 H LEU 36 -0.265 0.210 8.599 277 HA LEU 36 HA LEU 36 -2.171 -1.402 7.284 278 HG LEU 36 HG LEU 36 0.342 -1.890 4.750 279 1HD1 LEU 36 1HD1 LEU 36 -1.690 -3.268 5.854 280 2HD1 LEU 36 3HD1 LEU 36 -2.583 -1.947 5.098 281 3HD1 LEU 36 2HD1 LEU 36 -1.531 -2.974 4.122 282 1HD2 LEU 36 2HD2 LEU 36 -0.765 0.507 5.805 283 2HD2 LEU 36 1HD2 LEU 36 -0.166 0.188 4.178 284 3HD2 LEU 36 3HD2 LEU 36 -1.857 -0.120 4.570 285 1HB GLU 37 2HB GLU 37 1.366 -3.388 11.428 286 2HB GLU 37 1HB GLU 37 0.072 -2.775 12.442 287 1HG GLU 37 2HG GLU 37 -0.395 -5.288 12.900 288 2HG GLU 37 1HG GLU 37 1.266 -5.502 12.347 289 H GLU 37 H GLU 37 -0.077 -1.940 10.024 290 HA GLU 37 HA GLU 37 -0.302 -4.748 10.182 291 H ALA 38 H ALA 38 -1.965 -2.205 12.014 292 HA ALA 38 HA ALA 38 -3.772 -3.757 13.409 293 1HB ALA 38 1HB ALA 38 -3.431 -1.319 13.720 294 2HB ALA 38 2HB ALA 38 -5.132 -1.778 13.631 295 3HB ALA 38 3HB ALA 38 -4.343 -1.037 12.237 296 H ALA 39 H ALA 39 -3.763 -2.798 10.076 297 HA ALA 39 HA ALA 39 -6.478 -3.624 9.552 298 1HB ALA 39 3HB ALA 39 -4.275 -3.041 7.579 299 2HB ALA 39 1HB ALA 39 -5.336 -1.818 8.278 300 3HB ALA 39 2HB ALA 39 -6.008 -3.090 7.255 301 1HB ARG 40 2HB ARG 40 -1.619 -6.404 8.156 302 2HB ARG 40 1HB ARG 40 -1.713 -6.980 9.815 303 1HG ARG 40 2HG ARG 40 -2.390 -9.055 7.914 304 2HG ARG 40 1HG ARG 40 -0.784 -8.386 7.626 305 1HD ARG 40 2HD ARG 40 -1.808 -9.458 10.253 306 2HD ARG 40 1HD ARG 40 -0.706 -10.292 9.158 307 1HH1 ARG 40 1HH1 ARG 40 0.408 -11.160 10.262 308 2HH1 ARG 40 2HH1 ARG 40 1.926 -11.145 11.095 309 1HH2 ARG 40 1HH2 ARG 40 2.114 -7.659 11.291 310 2HH2 ARG 40 2HH2 ARG 40 2.896 -9.156 11.681 311 H ARG 40 H ARG 40 -3.285 -5.001 9.402 312 HA ARG 40 HA ARG 40 -3.934 -7.249 7.783 313 HE ARG 40 HE ARG 40 0.116 -7.690 10.194 314 1HB LYS 41 2HB LYS 41 -4.737 -8.333 14.216 315 2HB LYS 41 1HB LYS 41 -3.791 -7.076 13.432 316 1HG LYS 41 2HG LYS 41 -5.597 -5.661 13.218 317 2HG LYS 41 1HG LYS 41 -6.769 -6.973 13.344 318 1HD LYS 41 2HD LYS 41 -5.239 -6.919 15.739 319 2HD LYS 41 1HD LYS 41 -5.788 -5.276 15.398 320 1HE LYS 41 2HE LYS 41 -7.557 -7.717 15.475 321 2HE LYS 41 1HE LYS 41 -7.381 -6.552 16.788 322 H LYS 41 H LYS 41 -3.992 -6.608 11.233 323 HA LYS 41 HA LYS 41 -4.370 -9.239 12.117 324 1HZ LYS 41 1HZ LYS 41 -8.009 -5.276 14.316 325 2HZ LYS 41 3HZ LYS 41 -9.182 -6.422 14.733 326 3HZ LYS 41 2HZ LYS 41 -8.798 -5.173 15.807 327 1HG1 ILE 42 2HG1 ILE 42 -8.655 -4.988 8.999 328 2HG1 ILE 42 1HG1 ILE 42 -8.016 -6.583 8.615 329 H ILE 42 H ILE 42 -6.515 -6.931 10.703 330 HA ILE 42 HA ILE 42 -8.912 -8.312 11.573 331 HB ILE 42 HB ILE 42 -10.154 -6.597 10.634 332 1HG2 ILE 42 2HG2 ILE 42 -8.172 -5.929 12.311 333 2HG2 ILE 42 1HG2 ILE 42 -7.781 -4.873 10.955 334 3HG2 ILE 42 3HG2 ILE 42 -9.369 -4.776 11.717 335 1HD1 ILE 42 3HD1 ILE 42 -10.962 -6.190 8.671 336 2HD1 ILE 42 2HD1 ILE 42 -10.035 -5.596 7.293 337 3HD1 ILE 42 1HD1 ILE 42 -9.988 -7.308 7.717 338 1HA GLY 43 1HA GLY 43 -8.527 -10.262 7.534 339 2HA GLY 43 2HA GLY 43 -6.784 -10.478 7.619 340 H GLY 43 H GLY 43 -6.688 -8.475 8.999 341 1HB PHE 44 2HB PHE 44 -6.562 -5.407 6.350 342 2HB PHE 44 1HB PHE 44 -4.860 -5.765 6.086 343 H PHE 44 H PHE 44 -5.958 -7.871 7.147 344 HA PHE 44 HA PHE 44 -7.106 -7.110 4.574 345 HD1 PHE 44 HD1 PHE 44 -6.435 -6.109 3.007 346 HD2 PHE 44 HD2 PHE 44 -5.159 -3.130 5.766 347 HE1 PHE 44 HE1 PHE 44 -6.380 -4.450 1.189 348 HE2 PHE 44 HE2 PHE 44 -5.107 -1.469 3.953 349 HZ PHE 44 HZ PHE 44 -5.720 -2.129 1.664 350 1HB HIS 45 2HB HIS 45 -4.003 -11.296 3.626 351 2HB HIS 45 1HB HIS 45 -5.627 -11.192 2.957 352 H HIS 45 H HIS 45 -6.348 -9.086 3.535 353 HA HIS 45 HA HIS 45 -3.459 -9.145 3.014 354 HD1 HIS 45 HD1 HIS 45 -5.930 -12.653 1.006 355 HD2 HIS 45 HD2 HIS 45 -2.019 -11.279 1.292 356 HE1 HIS 45 HE1 HIS 45 -4.699 -13.713 -0.913 357 HE2 HIS 45 HE2 HIS 45 -2.323 -12.915 -0.684 358 H VAL 46 H VAL 46 -2.633 -8.744 1.050 359 HA VAL 46 HA VAL 46 -4.070 -8.967 -1.384 360 HB VAL 46 HB VAL 46 -5.232 -7.011 -1.073 361 1HG1 VAL 46 2HG1 VAL 46 -3.168 -6.477 0.880 362 2HG1 VAL 46 1HG1 VAL 46 -3.578 -5.031 -0.044 363 3HG1 VAL 46 3HG1 VAL 46 -4.838 -5.911 0.820 364 1HG2 VAL 46 2HG2 VAL 46 -3.648 -6.859 -3.048 365 2HG2 VAL 46 1HG2 VAL 46 -4.317 -5.336 -2.460 366 3HG2 VAL 46 3HG2 VAL 46 -2.663 -5.790 -2.050 367 1HB CYS 47 2HB CYS 47 -0.349 -9.598 -5.159 368 2HB CYS 47 1HB CYS 47 0.440 -10.448 -3.834 369 H CYS 47 H CYS 47 -2.682 -9.036 -3.082 370 HA CYS 47 HA CYS 47 0.146 -8.710 -2.466 371 H ALA 48 H ALA 48 -0.569 -6.289 -2.429 372 HA ALA 48 HA ALA 48 0.483 -5.133 -4.862 373 1HB ALA 48 2HB ALA 48 -2.140 -5.347 -4.945 374 2HB ALA 48 3HB ALA 48 -1.320 -3.904 -5.545 375 3HB ALA 48 1HB ALA 48 -2.063 -3.897 -3.945 376 H ALA 49 H ALA 49 2.199 -4.464 -3.590 377 HA ALA 49 HA ALA 49 2.241 -3.309 -1.130 378 1HB ALA 49 2HB ALA 49 4.389 -3.244 -1.667 379 2HB ALA 49 1HB ALA 49 3.998 -3.417 -3.379 380 3HB ALA 49 3HB ALA 49 4.075 -1.813 -2.649 381 1HA GLY 50 2HA GLY 50 -0.001 0.331 -0.326 382 2HA GLY 50 1HA GLY 50 0.514 0.631 -1.978 383 H GLY 50 H GLY 50 1.695 -1.415 -0.208 384 1HB TRP 51 2HB TRP 51 1.881 4.838 -2.372 385 2HB TRP 51 1HB TRP 51 3.295 5.565 -1.614 386 H TRP 51 H TRP 51 1.363 2.604 -2.046 387 HA TRP 51 HA TRP 51 3.780 3.204 -0.701 388 HD1 TRP 51 HD1 TRP 51 2.261 3.390 -4.526 389 HE1 TRP 51 HE1 TRP 51 4.318 2.914 -6.007 390 HE3 TRP 51 HE3 TRP 51 5.915 5.234 -1.460 391 HZ2 TRP 51 HZ2 TRP 51 7.112 3.276 -5.888 392 HZ3 TRP 51 HZ3 TRP 51 8.253 5.131 -2.219 393 HH2 TRP 51 HH2 TRP 51 8.837 4.172 -4.387 394 1HB MET 52 2HB MET 52 3.282 4.206 4.726 395 2HB MET 52 1HB MET 52 1.820 3.499 4.056 396 1HG MET 52 2HG MET 52 2.949 1.848 2.955 397 2HG MET 52 1HG MET 52 4.429 2.796 2.822 398 H MET 52 H MET 52 4.021 3.779 1.345 399 HA MET 52 HA MET 52 1.840 5.261 2.659 400 1HE MET 52 3HE MET 52 3.231 -0.048 3.661 401 2HE MET 52 2HE MET 52 4.531 -0.679 4.672 402 3HE MET 52 1HE MET 52 2.977 -0.255 5.394 403 H ALA 53 H ALA 53 3.035 6.111 4.917 404 HA ALA 53 HA ALA 53 4.332 8.435 4.215 405 1HB ALA 53 1HB ALA 53 3.818 8.731 6.362 406 2HB ALA 53 3HB ALA 53 3.801 6.996 6.675 407 3HB ALA 53 2HB ALA 53 5.320 7.889 6.742 408 1HB LYS 54 2HB LYS 54 8.383 6.252 5.246 409 2HB LYS 54 1HB LYS 54 9.954 6.965 4.916 410 1HG LYS 54 2HG LYS 54 9.876 8.323 6.725 411 2HG LYS 54 1HG LYS 54 8.124 8.510 6.649 412 1HD LYS 54 2HD LYS 54 7.728 6.557 7.812 413 2HD LYS 54 1HD LYS 54 9.286 5.856 7.369 414 1HE LYS 54 2HE LYS 54 9.489 8.311 8.946 415 2HE LYS 54 1HE LYS 54 8.689 6.983 9.787 416 H LYS 54 H LYS 54 6.518 9.150 4.454 417 HA LYS 54 HA LYS 54 8.768 9.040 4.153 418 1HZ LYS 54 3HZ LYS 54 11.300 6.671 8.421 419 2HZ LYS 54 2HZ LYS 54 11.166 7.113 10.048 420 3HZ LYS 54 1HZ LYS 54 10.572 5.618 9.529 421 1HA GLY 55 1HA GLY 55 8.339 7.095 0.180 422 2HA GLY 55 2HA GLY 55 6.624 6.728 0.193 423 H GLY 55 H GLY 55 6.575 7.333 2.414 424 1HB ARG 56 2HB ARG 56 8.227 3.394 4.039 425 2HB ARG 56 1HB ARG 56 6.680 2.589 3.823 426 1HG ARG 56 2HG ARG 56 7.850 0.525 3.207 427 2HG ARG 56 1HG ARG 56 9.396 1.337 3.462 428 1HD ARG 56 2HD ARG 56 7.323 1.224 5.625 429 2HD ARG 56 1HD ARG 56 8.443 -0.112 5.365 430 1HH1 ARG 56 1HH1 ARG 56 7.434 0.976 7.529 431 2HH1 ARG 56 2HH1 ARG 56 8.101 1.639 8.983 432 1HH2 ARG 56 1HH2 ARG 56 10.999 2.852 7.445 433 2HH2 ARG 56 2HH2 ARG 56 10.129 2.706 8.936 434 H ARG 56 H ARG 56 7.007 4.932 2.552 435 HA ARG 56 HA ARG 56 8.683 2.791 1.583 436 HE ARG 56 HE ARG 56 10.110 1.975 5.537 437 H VAL 57 H VAL 57 7.929 0.685 1.003 438 HA VAL 57 HA VAL 57 5.099 0.541 0.236 439 HB VAL 57 HB VAL 57 5.458 0.212 -1.956 440 1HG1 VAL 57 1HG1 VAL 57 6.872 2.234 -1.254 441 2HG1 VAL 57 3HG1 VAL 57 8.264 1.193 -1.555 442 3HG1 VAL 57 2HG1 VAL 57 7.135 1.558 -2.861 443 1HG2 VAL 57 1HG2 VAL 57 7.904 -1.337 -1.148 444 2HG2 VAL 57 3HG2 VAL 57 6.395 -1.945 -1.829 445 3HG2 VAL 57 2HG2 VAL 57 7.503 -1.011 -2.834 446 1HA GLY 58 2HA GLY 58 5.096 -3.364 2.084 447 2HA GLY 58 1HA GLY 58 5.627 -3.905 0.501 448 H GLY 58 H GLY 58 4.179 -1.484 0.246 449 1HB TYR 59 2HB TYR 59 1.324 -7.092 -1.093 450 2HB TYR 59 1HB TYR 59 1.784 -5.463 -1.581 451 H TYR 59 H TYR 59 4.271 -5.751 0.850 452 HA TYR 59 HA TYR 59 1.394 -5.222 0.703 453 HD1 TYR 59 HD1 TYR 59 4.327 -4.957 -1.703 454 HD2 TYR 59 HD2 TYR 59 2.709 -8.900 -1.608 455 HE1 TYR 59 HE1 TYR 59 6.410 -5.831 -2.668 456 HE2 TYR 59 HE2 TYR 59 4.793 -9.778 -2.571 457 HH TYR 59 HH TYR 59 6.723 -8.677 -4.104 458 1HB PRO 60 2HB PRO 60 -0.607 -8.190 4.810 459 2HB PRO 60 1HB PRO 60 0.780 -7.217 5.301 460 1HG PRO 60 2HG PRO 60 -1.430 -6.555 3.410 461 2HG PRO 60 1HG PRO 60 -0.624 -5.521 4.601 462 1HD PRO 60 2HD PRO 60 -0.072 -5.426 1.944 463 2HD PRO 60 1HD PRO 60 1.130 -5.052 3.194 464 HA PRO 60 HA PRO 60 1.906 -8.505 3.782 465 1HG1 ILE 61 2HG1 ILE 61 2.418 -10.375 0.735 466 2HG1 ILE 61 1HG1 ILE 61 2.619 -11.429 -0.660 467 H ILE 61 H ILE 61 1.842 -10.435 2.775 468 HA ILE 61 HA ILE 61 -0.637 -11.231 1.417 469 HB ILE 61 HB ILE 61 1.930 -12.766 1.235 470 1HG2 ILE 61 2HG2 ILE 61 -0.649 -13.009 0.132 471 2HG2 ILE 61 1HG2 ILE 61 0.427 -12.536 -1.183 472 3HG2 ILE 61 3HG2 ILE 61 0.782 -13.976 -0.227 473 1HD1 ILE 61 2HD1 ILE 61 0.087 -9.904 -0.187 474 2HD1 ILE 61 1HD1 ILE 61 1.466 -9.202 -1.033 475 3HD1 ILE 61 3HD1 ILE 61 0.673 -10.638 -1.680 476 H VAL 62 H VAL 62 -1.928 -12.059 2.983 477 HA VAL 62 HA VAL 62 -0.872 -13.910 4.952 478 HB VAL 62 HB VAL 62 -3.776 -13.231 4.536 479 1HG1 VAL 62 1HG1 VAL 62 -2.164 -14.203 6.888 480 2HG1 VAL 62 3HG1 VAL 62 -3.836 -13.651 7.003 481 3HG1 VAL 62 2HG1 VAL 62 -3.439 -15.064 6.025 482 1HG2 VAL 62 1HG2 VAL 62 -2.347 -11.171 4.715 483 2HG2 VAL 62 3HG2 VAL 62 -3.572 -11.348 5.971 484 3HG2 VAL 62 2HG2 VAL 62 -1.884 -11.721 6.327 485 1HB LYS 63 2HB LYS 63 -4.970 -15.270 1.987 486 2HB LYS 63 1HB LYS 63 -4.614 -15.460 0.277 487 1HG LYS 63 2HG LYS 63 -5.143 -17.690 0.272 488 2HG LYS 63 1HG LYS 63 -4.775 -17.892 1.987 489 1HD LYS 63 2HD LYS 63 -6.888 -16.034 1.822 490 2HD LYS 63 1HD LYS 63 -7.291 -17.357 0.728 491 1HE LYS 63 2HE LYS 63 -6.490 -17.675 3.617 492 2HE LYS 63 1HE LYS 63 -8.146 -17.711 3.015 493 H LYS 63 H LYS 63 -2.644 -13.971 1.956 494 HA LYS 63 HA LYS 63 -2.843 -16.903 2.167 495 1HZ LYS 63 2HZ LYS 63 -6.225 -19.546 1.799 496 2HZ LYS 63 1HZ LYS 63 -6.753 -19.897 3.366 497 3HZ LYS 63 3HZ LYS 63 -7.874 -19.756 2.107 498 1HB PRO 64 2HB PRO 64 0.513 -19.064 -0.704 499 2HB PRO 64 1HB PRO 64 1.777 -17.837 -0.798 500 1HG PRO 64 2HG PRO 64 1.074 -18.927 1.538 501 2HG PRO 64 1HG PRO 64 1.528 -17.219 1.413 502 1HD PRO 64 1HD PRO 64 -1.170 -18.445 1.724 503 2HD PRO 64 2HD PRO 64 -0.543 -16.912 2.364 504 HA PRO 64 HA PRO 64 0.280 -16.132 -1.123 505 1HA GLY 65 2HA GLY 65 -1.973 -17.359 -4.587 506 2HA GLY 65 1HA GLY 65 -1.242 -18.942 -4.366 507 H GLY 65 H GLY 65 0.477 -16.985 -3.291 508 1HB PRO 66 2HB PRO 66 -0.863 -17.540 -10.111 509 2HB PRO 66 1HB PRO 66 -0.765 -19.155 -9.401 510 1HG PRO 66 2HG PRO 66 -2.694 -16.940 -8.818 511 2HG PRO 66 1HG PRO 66 -3.008 -18.674 -9.011 512 1HD PRO 66 1HD PRO 66 -2.820 -17.465 -6.583 513 2HD PRO 66 2HD PRO 66 -2.360 -19.158 -6.856 514 HA PRO 66 HA PRO 66 0.899 -18.166 -8.155 515 1HB ASN 67 2HB ASN 67 0.435 -13.676 -10.001 516 2HB ASN 67 1HB ASN 67 2.026 -13.077 -10.461 517 1HD2 ASN 67 2HD2 ASN 67 -0.338 -14.592 -11.774 518 2HD2 ASN 67 1HD2 ASN 67 0.460 -15.807 -12.706 519 H ASN 67 H ASN 67 2.262 -16.549 -8.539 520 HA ASN 67 HA ASN 67 3.123 -14.474 -8.894 521 1HB CYS 68 2HB CYS 68 -1.040 -13.151 -5.818 522 2HB CYS 68 1HB CYS 68 -0.630 -14.631 -4.958 523 H CYS 68 H CYS 68 1.550 -15.084 -6.422 524 HA CYS 68 HA CYS 68 1.192 -12.298 -5.555 525 1HA GLY 69 2HA GLY 69 1.920 -16.270 -2.043 526 2HA GLY 69 1HA GLY 69 2.277 -14.601 -1.615 527 H GLY 69 H GLY 69 0.891 -15.445 -3.924 528 1HB PHE 70 2HB PHE 70 6.114 -12.824 -1.861 529 2HB PHE 70 1HB PHE 70 7.264 -13.759 -0.912 530 H PHE 70 H PHE 70 4.357 -14.123 -1.454 531 HA PHE 70 HA PHE 70 6.284 -15.090 -3.358 532 HD1 PHE 70 HD1 PHE 70 9.422 -14.414 -1.867 533 HD2 PHE 70 HD2 PHE 70 6.697 -11.934 -3.998 534 HE1 PHE 70 HE1 PHE 70 11.231 -13.745 -3.394 535 HE2 PHE 70 HE2 PHE 70 8.501 -11.262 -5.529 536 HZ PHE 70 HZ PHE 70 10.771 -12.168 -5.229 537 1HA GLY 71 1HA GLY 71 7.312 -18.115 -0.206 538 2HA GLY 71 2HA GLY 71 5.730 -18.858 -0.415 539 H GLY 71 H GLY 71 4.865 -16.596 -0.876 540 1HB LYS 72 2HB LYS 72 7.663 -14.871 3.120 541 2HB LYS 72 1HB LYS 72 6.920 -14.893 4.715 542 1HG LYS 72 2HG LYS 72 8.659 -16.064 5.424 543 2HG LYS 72 1HG LYS 72 8.089 -17.406 4.429 544 1HD LYS 72 2HD LYS 72 9.808 -17.188 3.031 545 2HD LYS 72 1HD LYS 72 9.490 -15.466 2.823 546 1HE LYS 72 2HE LYS 72 11.460 -15.175 3.846 547 2HE LYS 72 1HE LYS 72 10.571 -15.536 5.325 548 H LYS 72 H LYS 72 6.740 -15.946 1.360 549 HA LYS 72 HA LYS 72 6.033 -17.251 3.878 550 1HZ LYS 72 2HZ LYS 72 11.168 -17.901 4.982 551 2HZ LYS 72 1HZ LYS 72 12.150 -17.439 3.686 552 3HZ LYS 72 3HZ LYS 72 12.505 -16.902 5.250 553 H THR 73 H THR 73 4.836 -15.911 5.501 554 HA THR 73 HA THR 73 2.657 -14.439 4.169 555 HB THR 73 HB THR 73 1.207 -15.111 6.040 556 HG1 THR 73 HG1 THR 73 2.088 -15.921 7.779 557 1HG2 THR 73 2HG2 THR 73 2.577 -17.188 4.379 558 2HG2 THR 73 1HG2 THR 73 1.364 -17.674 5.563 559 3HG2 THR 73 3HG2 THR 73 0.931 -16.566 4.261 560 1HA GLY 74 2HA GLY 74 3.923 -11.303 6.960 561 2HA GLY 74 1HA GLY 74 2.203 -10.948 6.850 562 H GLY 74 H GLY 74 2.388 -12.369 4.688 563 1HG1 ILE 75 1HG1 ILE 75 2.121 -5.449 5.366 564 2HG1 ILE 75 2HG1 ILE 75 1.899 -6.451 6.797 565 H ILE 75 H ILE 75 3.388 -8.731 6.927 566 HA ILE 75 HA ILE 75 2.967 -7.435 4.505 567 HB ILE 75 HB ILE 75 4.323 -6.674 7.042 568 1HG2 ILE 75 1HG2 ILE 75 4.668 -5.243 4.427 569 2HG2 ILE 75 3HG2 ILE 75 4.747 -4.388 5.968 570 3HG2 ILE 75 2HG2 ILE 75 5.892 -5.682 5.617 571 1HD1 ILE 75 2HD1 ILE 75 3.324 -4.610 7.960 572 2HD1 ILE 75 1HD1 ILE 75 2.816 -3.630 6.585 573 3HD1 ILE 75 3HD1 ILE 75 1.607 -4.348 7.651 574 1HG1 ILE 76 1HG1 ILE 76 4.999 -10.055 2.326 575 2HG1 ILE 76 2HG1 ILE 76 3.960 -9.872 0.917 576 H ILE 76 H ILE 76 4.046 -7.576 2.672 577 HA ILE 76 HA ILE 76 6.844 -8.412 2.691 578 HB ILE 76 HB ILE 76 5.045 -8.010 0.304 579 1HG2 ILE 76 3HG2 ILE 76 7.544 -8.010 -0.012 580 2HG2 ILE 76 2HG2 ILE 76 7.530 -9.688 0.532 581 3HG2 ILE 76 1HG2 ILE 76 6.656 -9.228 -0.930 582 1HD1 ILE 76 3HD1 ILE 76 6.661 -11.186 0.857 583 2HD1 ILE 76 2HD1 ILE 76 5.133 -12.047 1.045 584 3HD1 ILE 76 1HD1 ILE 76 5.459 -11.143 -0.434 585 1HB ASP 77 2HB ASP 77 6.767 -3.129 2.958 586 2HB ASP 77 1HB ASP 77 7.318 -4.149 4.281 587 H ASP 77 H ASP 77 7.765 -6.461 3.429 588 HA ASP 77 HA ASP 77 7.857 -4.353 1.375 589 1HB TYR 78 2HB TYR 78 11.424 -4.598 -0.779 590 2HB TYR 78 1HB TYR 78 13.026 -3.992 -0.374 591 H TYR 78 H TYR 78 9.827 -4.031 0.594 592 HA TYR 78 HA TYR 78 12.116 -5.182 1.980 593 HD1 TYR 78 HD1 TYR 78 10.920 -7.053 -0.289 594 HD2 TYR 78 HD2 TYR 78 14.860 -5.447 -0.274 595 HE1 TYR 78 HE1 TYR 78 11.838 -9.319 -0.552 596 HE2 TYR 78 HE2 TYR 78 15.789 -7.709 -0.539 597 HH TYR 78 HH TYR 78 13.761 -10.560 -0.366 598 1HA GLY 79 2HA GLY 79 12.963 -1.107 3.433 599 2HA GLY 79 1HA GLY 79 11.292 -0.591 3.652 600 H GLY 79 H GLY 79 10.619 -2.526 2.582 601 1HG1 ILE 80 1HG1 ILE 80 11.558 3.032 3.480 602 2HG1 ILE 80 2HG1 ILE 80 12.257 4.629 3.724 603 H ILE 80 H ILE 80 12.327 1.532 3.123 604 HA ILE 80 HA ILE 80 11.566 2.450 0.641 605 HB ILE 80 HB ILE 80 13.790 3.665 2.270 606 1HG2 ILE 80 3HG2 ILE 80 11.908 4.687 0.177 607 2HG2 ILE 80 2HG2 ILE 80 12.639 5.781 1.351 608 3HG2 ILE 80 1HG2 ILE 80 13.663 4.838 0.268 609 1HD1 ILE 80 1HD1 ILE 80 10.713 5.543 2.060 610 2HD1 ILE 80 3HD1 ILE 80 9.999 3.943 1.861 611 3HD1 ILE 80 2HD1 ILE 80 9.870 4.780 3.408 612 1HB ARG 81 2HB ARG 81 14.424 0.441 -3.568 613 2HB ARG 81 1HB ARG 81 12.827 0.736 -2.893 614 1HG ARG 81 2HG ARG 81 12.360 1.844 -4.751 615 2HG ARG 81 1HG ARG 81 13.469 3.099 -4.196 616 1HD ARG 81 2HD ARG 81 14.228 2.568 -6.343 617 2HD ARG 81 1HD ARG 81 15.312 1.691 -5.263 618 1HH1 ARG 81 2HH1 ARG 81 16.070 1.426 -7.274 619 2HH1 ARG 81 1HH1 ARG 81 16.323 0.156 -8.424 620 1HH2 ARG 81 1HH2 ARG 81 13.459 -1.631 -7.512 621 2HH2 ARG 81 2HH2 ARG 81 14.837 -1.582 -8.559 622 H ARG 81 H ARG 81 12.494 2.628 -1.332 623 HA ARG 81 HA ARG 81 15.145 1.402 -1.658 624 HE ARG 81 HE ARG 81 13.137 0.048 -6.002 625 1HB LEU 82 2HB LEU 82 16.996 4.632 -2.419 626 2HB LEU 82 1HB LEU 82 16.854 5.925 -3.591 627 H LEU 82 H LEU 82 14.056 4.324 -1.164 628 HA LEU 82 HA LEU 82 14.979 6.385 -1.482 629 HG LEU 82 HG LEU 82 18.566 6.459 -1.965 630 1HD1 LEU 82 3HD1 LEU 82 17.239 8.301 -2.869 631 2HD1 LEU 82 2HD1 LEU 82 16.094 8.132 -1.538 632 3HD1 LEU 82 1HD1 LEU 82 17.755 8.631 -1.215 633 1HD2 LEU 82 2HD2 LEU 82 17.412 5.050 -0.153 634 2HD2 LEU 82 1HD2 LEU 82 18.257 6.518 0.341 635 3HD2 LEU 82 3HD2 LEU 82 16.498 6.516 0.202 636 1HB ASN 83 2HB ASN 83 14.256 4.048 -6.384 637 2HB ASN 83 1HB ASN 83 12.729 4.415 -7.182 638 1HD2 ASN 83 1HD2 ASN 83 15.616 6.355 -6.497 639 2HD2 ASN 83 2HD2 ASN 83 15.901 6.820 -8.136 640 H ASN 83 H ASN 83 14.038 4.406 -4.168 641 HA ASN 83 HA ASN 83 13.524 6.768 -5.824 642 1HB ARG 84 2HB ARG 84 8.378 8.069 -3.481 643 2HB ARG 84 1HB ARG 84 10.015 7.990 -2.846 644 1HG ARG 84 2HG ARG 84 9.679 9.369 -5.434 645 2HG ARG 84 1HG ARG 84 8.990 10.163 -4.017 646 1HD ARG 84 2HD ARG 84 11.280 9.716 -2.925 647 2HD ARG 84 1HD ARG 84 11.845 9.445 -4.573 648 1HH1 ARG 84 2HH1 ARG 84 11.408 10.226 -6.373 649 2HH1 ARG 84 1HH1 ARG 84 11.630 11.653 -7.328 650 1HH2 ARG 84 1HH2 ARG 84 11.495 13.846 -4.609 651 2HH2 ARG 84 2HH2 ARG 84 11.680 13.711 -6.327 652 H ARG 84 H ARG 84 11.730 7.609 -4.743 653 HA ARG 84 HA ARG 84 9.417 6.004 -4.197 654 HE ARG 84 HE ARG 84 11.202 11.960 -3.359 655 1HB SER 85 2HB SER 85 10.717 7.786 -8.854 656 2HB SER 85 1HB SER 85 10.208 6.653 -10.105 657 H SER 85 H SER 85 10.438 6.196 -7.000 658 HA SER 85 HA SER 85 8.033 7.307 -8.285 659 HG SER 85 HG SER 85 9.866 8.967 -10.534 660 1HB GLU 86 2HB GLU 86 8.226 2.165 -6.484 661 2HB GLU 86 1HB GLU 86 8.679 0.962 -7.681 662 1HG GLU 86 2HG GLU 86 10.696 3.027 -7.315 663 2HG GLU 86 1HG GLU 86 10.351 2.112 -5.848 664 H GLU 86 H GLU 86 9.194 4.467 -7.224 665 HA GLU 86 HA GLU 86 9.008 2.688 -9.356 666 1HB ARG 87 2HB ARG 87 5.345 -0.196 -11.134 667 2HB ARG 87 1HB ARG 87 4.091 0.974 -11.512 668 1HG ARG 87 2HG ARG 87 5.488 1.725 -13.069 669 2HG ARG 87 1HG ARG 87 6.382 2.462 -11.738 670 1HD ARG 87 2HD ARG 87 7.919 1.221 -13.101 671 2HD ARG 87 1HD ARG 87 7.728 0.385 -11.560 672 1HH1 ARG 87 2HH1 ARG 87 7.855 1.078 -14.805 673 2HH1 ARG 87 1HH1 ARG 87 7.696 0.085 -16.215 674 1HH2 ARG 87 2HH2 ARG 87 6.229 -2.597 -14.517 675 2HH2 ARG 87 1HH2 ARG 87 6.771 -2.005 -16.051 676 H ARG 87 H ARG 87 7.276 1.020 -9.634 677 HA ARG 87 HA ARG 87 4.663 2.348 -9.692 678 HE ARG 87 HE ARG 87 6.443 -1.281 -12.666 679 1HB TRP 88 2HB TRP 88 4.062 1.377 -5.379 680 2HB TRP 88 1HB TRP 88 3.127 0.051 -4.702 681 H TRP 88 H TRP 88 3.591 1.917 -7.867 682 HA TRP 88 HA TRP 88 3.218 -0.904 -7.136 683 HD1 TRP 88 HD1 TRP 88 6.529 1.080 -4.939 684 HE1 TRP 88 HE1 TRP 88 8.167 -0.896 -4.752 685 HE3 TRP 88 HE3 TRP 88 3.263 -2.752 -5.795 686 HZ2 TRP 88 HZ2 TRP 88 8.076 -3.717 -4.931 687 HZ3 TRP 88 HZ3 TRP 88 4.118 -5.058 -5.770 688 HH2 TRP 88 HH2 TRP 88 6.475 -5.529 -5.349 689 1HB ASP 89 2HB ASP 89 -0.354 -1.277 -4.227 690 2HB ASP 89 1HB ASP 89 -1.853 -0.354 -4.141 691 H ASP 89 H ASP 89 1.671 -0.043 -4.796 692 HA ASP 89 HA ASP 89 -0.736 0.975 -6.152 693 H ALA 90 H ALA 90 -2.116 0.980 -3.500 694 HA ALA 90 HA ALA 90 -0.665 2.756 -1.802 695 1HB ALA 90 2HB ALA 90 -1.009 4.507 -3.248 696 2HB ALA 90 3HB ALA 90 -2.422 4.641 -2.200 697 3HB ALA 90 1HB ALA 90 -2.572 3.894 -3.791 698 1HB TYR 91 2HB TYR 91 -1.597 1.319 2.287 699 2HB TYR 91 1HB TYR 91 -3.167 0.813 2.900 700 H TYR 91 H TYR 91 -1.355 2.273 0.153 701 HA TYR 91 HA TYR 91 -4.035 1.182 0.519 702 HD1 TYR 91 HD1 TYR 91 -4.329 -1.067 1.332 703 HD2 TYR 91 HD2 TYR 91 -0.145 -0.349 1.677 704 HE1 TYR 91 HE1 TYR 91 -3.876 -3.365 0.584 705 HE2 TYR 91 HE2 TYR 91 0.317 -2.643 0.927 706 HH TYR 91 HH TYR 91 -0.963 -4.404 -0.508 707 1HB CYS 92 2HB CYS 92 -7.005 4.271 0.146 708 2HB CYS 92 1HB CYS 92 -7.381 5.614 1.218 709 H CYS 92 H CYS 92 -5.030 3.270 0.076 710 HA CYS 92 HA CYS 92 -4.695 5.631 1.398 711 1HB TYR 93 2HB TYR 93 -4.664 4.994 5.510 712 2HB TYR 93 1HB TYR 93 -4.915 6.683 5.945 713 H TYR 93 H TYR 93 -6.079 6.635 3.082 714 HA TYR 93 HA TYR 93 -7.196 4.903 5.100 715 HD1 TYR 93 HD1 TYR 93 -7.404 6.628 7.453 716 HD2 TYR 93 HD2 TYR 93 -4.171 3.863 7.476 717 HE1 TYR 93 HE1 TYR 93 -8.001 5.960 9.742 718 HE2 TYR 93 HE2 TYR 93 -4.760 3.184 9.765 719 HH TYR 93 HH TYR 93 -7.569 3.658 11.159 720 1HB ASN 94 2HB ASN 94 -8.946 9.171 4.352 721 2HB ASN 94 1HB ASN 94 -10.248 8.046 3.979 722 1HD2 ASN 94 1HD2 ASN 94 -11.101 10.066 3.009 723 2HD2 ASN 94 2HD2 ASN 94 -12.058 11.092 4.019 724 H ASN 94 H ASN 94 -8.967 5.896 5.773 725 HA ASN 94 HA ASN 94 -9.018 8.568 6.690 726 1HB PRO 95 2HB PRO 95 -12.780 8.018 10.603 727 2HB PRO 95 1HB PRO 95 -11.485 6.816 10.662 728 1HG PRO 95 2HG PRO 95 -11.358 9.707 9.905 729 2HG PRO 95 1HG PRO 95 -10.228 8.756 10.885 730 1HD PRO 95 2HD PRO 95 -9.746 9.362 8.298 731 2HD PRO 95 1HD PRO 95 -9.196 7.844 9.036 732 HA PRO 95 HA PRO 95 -12.314 6.196 8.620 733 1HB HIS 96 2HB HIS 96 -13.279 11.250 7.097 734 2HB HIS 96 1HB HIS 96 -14.635 11.568 6.021 735 H HIS 96 H HIS 96 -12.421 8.942 6.787 736 HA HIS 96 HA HIS 96 -15.342 9.155 7.088 737 HD1 HIS 96 HD1 HIS 96 -16.629 12.595 7.078 738 HD2 HIS 96 HD2 HIS 96 -14.201 10.686 9.858 739 HE1 HIS 96 HE1 HIS 96 -17.647 13.101 9.321 740 HE2 HIS 96 HE2 HIS 96 -16.206 11.871 10.981 741 H ALA 97 H ALA 97 -13.094 7.918 5.194 742 HA ALA 97 HA ALA 97 -13.967 8.955 2.631 743 1HB ALA 97 2HB ALA 97 -11.705 7.489 3.608 744 2HB ALA 97 3HB ALA 97 -11.913 8.326 2.070 745 3HB ALA 97 1HB ALA 97 -12.420 6.645 2.235 746 1HB LYS 98 2HB LYS 98 -16.836 5.932 5.057 747 2HB LYS 98 1HB LYS 98 -18.497 5.778 4.499 748 1HG LYS 98 2HG LYS 98 -18.233 3.623 3.867 749 2HG LYS 98 1HG LYS 98 -16.548 3.852 3.395 750 1HD LYS 98 2HD LYS 98 -15.758 3.434 5.490 751 2HD LYS 98 1HD LYS 98 -17.196 4.084 6.279 752 1HE LYS 98 2HE LYS 98 -18.098 2.061 6.457 753 2HE LYS 98 1HE LYS 98 -17.857 1.745 4.739 754 H LYS 98 H LYS 98 -16.209 8.110 3.664 755 HA LYS 98 HA LYS 98 -16.765 5.607 2.233 756 1HZ LYS 98 2HZ LYS 98 -15.402 1.380 5.534 757 2HZ LYS 98 1HZ LYS 98 -16.152 1.045 7.013 758 3HZ LYS 98 3HZ LYS 98 -16.545 0.138 5.639 No H/Q in entry = 758 Start of MODEL 13 1 1HA GLY 1 2HA GLY 1 -10.471 2.014 8.122 2 2HA GLY 1 1HA GLY 1 -9.148 2.652 9.086 3 H1 GLY 1 3H GLY 1 -11.101 4.331 7.610 4 H2 GLY 1 2H GLY 1 -11.205 3.963 9.258 5 H3 GLY 1 1H GLY 1 -9.904 4.872 8.676 6 H VAL 2 H VAL 2 -7.646 1.564 7.754 7 HA VAL 2 HA VAL 2 -6.848 3.121 5.456 8 HB VAL 2 HB VAL 2 -4.988 2.533 6.685 9 1HG1 VAL 2 1HG1 VAL 2 -6.510 0.069 7.266 10 2HG1 VAL 2 3HG1 VAL 2 -4.752 -0.075 7.255 11 3HG1 VAL 2 2HG1 VAL 2 -5.536 1.081 8.332 12 1HG2 VAL 2 2HG2 VAL 2 -5.193 1.481 4.167 13 2HG2 VAL 2 1HG2 VAL 2 -3.707 1.575 5.115 14 3HG2 VAL 2 3HG2 VAL 2 -4.659 0.089 5.111 15 1HB TYR 3 2HB TYR 3 -9.416 0.979 0.871 16 2HB TYR 3 1HB TYR 3 -10.031 1.094 2.511 17 H TYR 3 H TYR 3 -7.209 2.645 3.394 18 HA TYR 3 HA TYR 3 -8.018 -0.098 2.715 19 HD1 TYR 3 HD1 TYR 3 -8.728 3.347 3.692 20 HD2 TYR 3 HD2 TYR 3 -9.990 2.838 -0.337 21 HE1 TYR 3 HE1 TYR 3 -8.908 5.788 3.446 22 HE2 TYR 3 HE2 TYR 3 -10.168 5.276 -0.597 23 HH TYR 3 HH TYR 3 -8.792 7.402 1.016 24 1HB HIS 4 2HB HIS 4 -5.068 -1.762 0.203 25 2HB HIS 4 1HB HIS 4 -6.165 -2.182 -1.098 26 H HIS 4 H HIS 4 -7.639 -0.684 0.471 27 HA HIS 4 HA HIS 4 -5.208 0.620 -0.542 28 HD1 HIS 4 HD1 HIS 4 -2.632 -1.214 -0.431 29 HD2 HIS 4 HD2 HIS 4 -5.052 -2.099 -3.688 30 HE1 HIS 4 HE1 HIS 4 -1.061 -1.550 -2.362 31 HE2 HIS 4 HE2 HIS 4 -2.541 -2.210 -4.290 32 1HB ARG 5 2HB ARG 5 -6.417 3.567 -3.722 33 2HB ARG 5 1HB ARG 5 -7.524 3.144 -5.019 34 1HG ARG 5 2HG ARG 5 -8.166 2.172 -2.292 35 2HG ARG 5 1HG ARG 5 -8.368 3.893 -2.627 36 1HD ARG 5 2HD ARG 5 -9.494 2.652 -4.827 37 2HD ARG 5 1HD ARG 5 -9.977 1.630 -3.474 38 1HH1 ARG 5 2HH1 ARG 5 -11.504 1.260 -2.940 39 2HH1 ARG 5 1HH1 ARG 5 -13.060 1.719 -2.333 40 1HH2 ARG 5 1HH2 ARG 5 -12.525 5.151 -2.729 41 2HH2 ARG 5 2HH2 ARG 5 -13.641 3.930 -2.214 42 H ARG 5 H ARG 5 -5.116 1.397 -2.562 43 HA ARG 5 HA ARG 5 -7.251 0.755 -4.455 44 HE ARG 5 HE ARG 5 -10.478 4.536 -3.528 45 1HB GLU 6 2HB GLU 6 -4.292 0.309 -9.219 46 2HB GLU 6 1HB GLU 6 -5.423 -0.430 -8.096 47 1HG GLU 6 2HG GLU 6 -6.133 1.881 -9.879 48 2HG GLU 6 1HG GLU 6 -6.370 0.191 -10.325 49 H GLU 6 H GLU 6 -6.732 1.491 -6.671 50 HA GLU 6 HA GLU 6 -3.835 1.312 -7.136 51 H ALA 7 H ALA 7 -3.658 2.189 -9.698 52 HA ALA 7 HA ALA 7 -3.815 5.044 -9.338 53 1HB ALA 7 2HB ALA 7 -2.109 5.076 -10.762 54 2HB ALA 7 1HB ALA 7 -2.179 3.315 -10.794 55 3HB ALA 7 3HB ALA 7 -3.056 4.254 -12.002 56 1HB ARG 8 2HB ARG 8 -5.847 8.159 -11.570 57 2HB ARG 8 1HB ARG 8 -7.074 8.033 -12.822 58 1HG ARG 8 2HG ARG 8 -7.832 7.827 -9.939 59 2HG ARG 8 1HG ARG 8 -7.572 9.401 -10.690 60 1HD ARG 8 2HD ARG 8 -9.514 7.293 -11.628 61 2HD ARG 8 1HD ARG 8 -9.930 8.761 -10.745 62 1HH1 ARG 8 2HH1 ARG 8 -10.521 6.854 -12.928 63 2HH1 ARG 8 1HH1 ARG 8 -11.019 7.058 -14.574 64 1HH2 ARG 8 2HH2 ARG 8 -9.558 10.214 -14.930 65 2HH2 ARG 8 1HH2 ARG 8 -10.471 8.967 -15.712 66 H ARG 8 H ARG 8 -5.008 6.504 -10.552 67 HA ARG 8 HA ARG 8 -7.615 5.866 -11.193 68 HE ARG 8 HE ARG 8 -8.908 9.936 -12.761 69 1HB SER 9 2HB SER 9 -3.763 6.054 -15.126 70 2HB SER 9 1HB SER 9 -3.363 4.364 -15.431 71 H SER 9 H SER 9 -4.758 5.438 -13.081 72 HA SER 9 HA SER 9 -6.238 5.078 -15.559 73 HG SER 9 HG SER 9 -3.533 5.914 -17.294 74 1HA GLY 10 2HA GLY 10 -4.227 0.728 -14.682 75 2HA GLY 10 1HA GLY 10 -5.763 0.804 -13.833 76 H GLY 10 H GLY 10 -4.184 3.151 -13.401 77 1HB LYS 11 2HB LYS 11 -5.079 -2.319 -10.674 78 2HB LYS 11 1HB LYS 11 -3.892 -3.201 -11.627 79 1HG LYS 11 2HG LYS 11 -2.931 -4.025 -9.808 80 2HG LYS 11 1HG LYS 11 -2.795 -2.425 -9.077 81 1HD LYS 11 2HD LYS 11 -4.676 -2.680 -7.850 82 2HD LYS 11 1HD LYS 11 -5.503 -3.589 -9.116 83 1HE LYS 11 2HE LYS 11 -4.602 -5.603 -8.445 84 2HE LYS 11 1HE LYS 11 -3.216 -4.843 -7.666 85 H LYS 11 H LYS 11 -4.351 -1.214 -13.051 86 HA LYS 11 HA LYS 11 -3.469 -0.479 -10.380 87 1HZ LYS 11 3HZ LYS 11 -5.986 -4.598 -6.641 88 2HZ LYS 11 2HZ LYS 11 -4.913 -5.800 -6.128 89 3HZ LYS 11 1HZ LYS 11 -4.551 -4.171 -5.852 90 1HB TYR 12 2HB TYR 12 -0.155 -3.438 -11.495 91 2HB TYR 12 1HB TYR 12 1.572 -3.116 -11.391 92 H TYR 12 H TYR 12 -1.516 -1.326 -9.450 93 HA TYR 12 HA TYR 12 0.752 -1.518 -9.411 94 HD1 TYR 12 HD1 TYR 12 0.633 -2.604 -8.169 95 HD2 TYR 12 HD2 TYR 12 0.900 -5.796 -10.972 96 HE1 TYR 12 HE1 TYR 12 0.827 -4.207 -6.314 97 HE2 TYR 12 HE2 TYR 12 1.089 -7.408 -9.125 98 HH TYR 12 HH TYR 12 1.876 -6.628 -6.077 99 1HB LYS 13 2HB LYS 13 1.230 2.636 -13.621 100 2HB LYS 13 1HB LYS 13 1.239 0.882 -13.733 101 1HG LYS 13 2HG LYS 13 -0.883 1.124 -12.183 102 2HG LYS 13 1HG LYS 13 -0.941 2.725 -12.922 103 1HD LYS 13 2HD LYS 13 -0.542 0.380 -14.702 104 2HD LYS 13 1HD LYS 13 -2.148 0.637 -14.017 105 1HE LYS 13 2HE LYS 13 -2.544 2.148 -15.593 106 2HE LYS 13 1HE LYS 13 -1.253 3.145 -14.924 107 H LYS 13 H LYS 13 0.629 0.827 -10.094 108 HA LYS 13 HA LYS 13 2.665 1.394 -11.923 109 1HZ LYS 13 3HZ LYS 13 0.016 1.216 -16.413 110 2HZ LYS 13 2HZ LYS 13 -1.308 1.679 -17.357 111 3HZ LYS 13 1HZ LYS 13 -0.197 2.841 -16.834 112 1HB LEU 14 2HB LEU 14 0.593 2.967 -7.535 113 2HB LEU 14 1HB LEU 14 0.949 4.585 -6.968 114 H LEU 14 H LEU 14 1.855 2.113 -9.296 115 HA LEU 14 HA LEU 14 1.296 4.988 -9.588 116 HG LEU 14 HG LEU 14 -1.209 3.801 -8.924 117 1HD1 LEU 14 1HD1 LEU 14 -1.112 3.927 -6.088 118 2HD1 LEU 14 3HD1 LEU 14 -2.146 5.234 -6.666 119 3HD1 LEU 14 2HD1 LEU 14 -2.490 3.567 -7.130 120 1HD2 LEU 14 2HD2 LEU 14 0.163 6.215 -8.815 121 2HD2 LEU 14 1HD2 LEU 14 -1.402 5.921 -9.571 122 3HD2 LEU 14 3HD2 LEU 14 -1.322 6.504 -7.909 123 H THR 15 H THR 15 2.490 6.479 -8.352 124 HA THR 15 HA THR 15 5.143 5.494 -7.540 125 HB THR 15 HB THR 15 5.983 7.754 -7.920 126 HG1 THR 15 HG1 THR 15 4.443 9.241 -8.998 127 1HG2 THR 15 2HG2 THR 15 4.504 6.382 -10.129 128 2HG2 THR 15 1HG2 THR 15 5.312 7.918 -10.440 129 3HG2 THR 15 3HG2 THR 15 6.241 6.533 -9.867 130 1HB TYR 16 2HB TYR 16 6.973 7.673 -3.634 131 2HB TYR 16 1HB TYR 16 6.797 9.255 -4.390 132 H TYR 16 H TYR 16 5.863 7.896 -6.162 133 HA TYR 16 HA TYR 16 4.573 7.350 -3.634 134 HD1 TYR 16 HD1 TYR 16 5.340 7.523 -1.403 135 HD2 TYR 16 HD2 TYR 16 7.207 11.013 -2.970 136 HE1 TYR 16 HE1 TYR 16 5.247 8.564 0.820 137 HE2 TYR 16 HE2 TYR 16 7.115 12.064 -0.749 138 HH TYR 16 HH TYR 16 6.980 11.336 1.630 139 H ALA 17 H ALA 17 5.137 10.272 -5.588 140 HA ALA 17 HA ALA 17 3.380 11.915 -4.098 141 1HB ALA 17 2HB ALA 17 5.231 12.722 -5.564 142 2HB ALA 17 1HB ALA 17 4.238 12.299 -6.960 143 3HB ALA 17 3HB ALA 17 3.688 13.538 -5.830 144 1HB GLU 18 2HB GLU 18 1.900 8.194 -8.158 145 2HB GLU 18 1HB GLU 18 0.254 8.432 -8.731 146 1HG GLU 18 2HG GLU 18 0.867 10.198 -10.124 147 2HG GLU 18 1HG GLU 18 2.405 10.436 -9.296 148 H GLU 18 H GLU 18 2.944 9.748 -6.792 149 HA GLU 18 HA GLU 18 0.362 10.714 -7.556 150 H ALA 19 H ALA 19 1.526 7.960 -5.655 151 HA ALA 19 HA ALA 19 -0.907 6.762 -5.074 152 1HB ALA 19 3HB ALA 19 0.637 5.382 -4.242 153 2HB ALA 19 1HB ALA 19 0.577 6.379 -2.788 154 3HB ALA 19 2HB ALA 19 1.801 6.689 -4.020 155 1HB LYS 20 2HB LYS 20 1.318 10.695 -1.639 156 2HB LYS 20 1HB LYS 20 0.454 11.979 -2.469 157 1HG LYS 20 2HG LYS 20 -0.875 12.353 -0.414 158 2HG LYS 20 1HG LYS 20 0.118 11.145 0.404 159 1HD LYS 20 2HD LYS 20 1.213 13.069 1.008 160 2HD LYS 20 1HD LYS 20 2.093 12.642 -0.462 161 1HE LYS 20 2HE LYS 20 1.621 14.954 -0.617 162 2HE LYS 20 1HE LYS 20 0.503 14.145 -1.712 163 H LYS 20 H LYS 20 0.740 9.424 -3.438 164 HA LYS 20 HA LYS 20 -1.015 9.655 -1.267 165 1HZ LYS 20 3HZ LYS 20 -0.182 15.005 1.045 166 2HZ LYS 20 2HZ LYS 20 -0.551 15.885 -0.351 167 3HZ LYS 20 1HZ LYS 20 -1.242 14.361 -0.105 168 H ALA 21 H ALA 21 -0.858 11.427 -4.341 169 HA ALA 21 HA ALA 21 -3.107 13.058 -3.892 170 1HB ALA 21 2HB ALA 21 -2.427 13.960 -5.805 171 2HB ALA 21 1HB ALA 21 -1.230 12.674 -5.957 172 3HB ALA 21 3HB ALA 21 -2.826 12.484 -6.683 173 H VAL 22 H VAL 22 -2.783 9.955 -5.591 174 HA VAL 22 HA VAL 22 -5.384 9.642 -6.482 175 HB VAL 22 HB VAL 22 -3.149 7.824 -5.839 176 1HG1 VAL 22 3HG1 VAL 22 -4.938 6.729 -4.621 177 2HG1 VAL 22 2HG1 VAL 22 -5.974 6.802 -6.045 178 3HG1 VAL 22 1HG1 VAL 22 -4.518 5.806 -6.065 179 1HG2 VAL 22 1HG2 VAL 22 -3.501 8.739 -8.072 180 2HG2 VAL 22 3HG2 VAL 22 -3.642 6.980 -8.074 181 3HG2 VAL 22 2HG2 VAL 22 -5.094 7.980 -8.138 182 1HB CYS 23 2HB CYS 23 -3.663 8.897 -1.219 183 2HB CYS 23 1HB CYS 23 -4.952 8.763 -0.029 184 H CYS 23 H CYS 23 -3.974 9.034 -3.330 185 HA CYS 23 HA CYS 23 -6.242 7.776 -2.173 186 1HB GLU 24 2HB GLU 24 -4.513 12.981 -1.225 187 2HB GLU 24 1HB GLU 24 -5.737 14.097 -1.810 188 1HG GLU 24 2HG GLU 24 -6.526 14.292 0.578 189 2HG GLU 24 1HG GLU 24 -5.066 13.414 1.036 190 H GLU 24 H GLU 24 -4.853 11.000 -1.644 191 HA GLU 24 HA GLU 24 -6.958 12.068 -0.169 192 1HB PHE 25 2HB PHE 25 -7.137 12.353 -5.852 193 2HB PHE 25 1HB PHE 25 -7.769 10.717 -5.712 194 H PHE 25 H PHE 25 -6.925 11.182 -3.417 195 HA PHE 25 HA PHE 25 -8.865 13.153 -4.291 196 HD1 PHE 25 HD1 PHE 25 -8.480 14.104 -6.966 197 HD2 PHE 25 HD2 PHE 25 -9.683 10.021 -6.926 198 HE1 PHE 25 HE1 PHE 25 -10.034 14.548 -8.822 199 HE2 PHE 25 HE2 PHE 25 -11.237 10.458 -8.783 200 HZ PHE 25 HZ PHE 25 -11.414 12.723 -9.733 201 1HB GLU 26 2HB GLU 26 -9.373 7.667 -2.990 202 2HB GLU 26 1HB GLU 26 -11.034 7.155 -2.730 203 1HG GLU 26 2HG GLU 26 -10.827 8.135 -5.381 204 2HG GLU 26 1HG GLU 26 -9.487 7.025 -5.099 205 H GLU 26 H GLU 26 -8.788 9.855 -3.162 206 HA GLU 26 HA GLU 26 -11.610 9.472 -3.818 207 1HA GLY 27 1HA GLY 27 -12.110 10.375 0.504 208 2HA GLY 27 2HA GLY 27 -10.989 11.728 0.553 209 H GLY 27 H GLY 27 -9.954 10.894 -1.408 210 1HA GLY 28 2HA GLY 28 -8.077 8.510 2.153 211 2HA GLY 28 1HA GLY 28 -8.303 9.816 3.311 212 H GLY 28 H GLY 28 -8.606 10.908 0.759 213 1HB HIS 29 2HB HIS 29 -2.749 10.751 3.637 214 2HB HIS 29 1HB HIS 29 -4.208 11.667 3.281 215 H HIS 29 H HIS 29 -5.898 8.568 3.243 216 HA HIS 29 HA HIS 29 -4.085 10.079 1.553 217 HD1 HIS 29 HD1 HIS 29 -5.955 11.768 5.069 218 HD2 HIS 29 HD2 HIS 29 -3.098 8.841 5.799 219 HE1 HIS 29 HE1 HIS 29 -6.438 10.921 7.387 220 HE2 HIS 29 HE2 HIS 29 -4.750 9.091 7.774 221 1HB LEU 30 2HB LEU 30 0.540 8.798 2.513 222 2HB LEU 30 1HB LEU 30 0.956 7.124 2.220 223 H LEU 30 H LEU 30 -1.740 9.452 2.117 224 HA LEU 30 HA LEU 30 -1.494 6.659 1.888 225 HG LEU 30 HG LEU 30 -0.220 9.088 0.261 226 1HD1 LEU 30 3HD1 LEU 30 2.262 9.067 0.743 227 2HD1 LEU 30 2HD1 LEU 30 2.293 7.449 0.044 228 3HD1 LEU 30 1HD1 LEU 30 1.795 8.826 -0.941 229 1HD2 LEU 30 1HD2 LEU 30 -0.785 6.360 0.366 230 2HD2 LEU 30 3HD2 LEU 30 -1.033 7.452 -0.997 231 3HD2 LEU 30 2HD2 LEU 30 0.464 6.529 -0.868 232 H ALA 31 H ALA 31 -2.000 5.303 3.494 233 HA ALA 31 HA ALA 31 -2.034 5.917 6.223 234 1HB ALA 31 2HB ALA 31 -2.162 3.413 4.640 235 2HB ALA 31 1HB ALA 31 -1.834 3.285 6.368 236 3HB ALA 31 3HB ALA 31 -3.305 4.077 5.806 237 H THR 32 H THR 32 -0.734 3.880 7.527 238 HA THR 32 HA THR 32 2.115 4.356 6.973 239 HB THR 32 HB THR 32 2.554 5.241 8.980 240 HG1 THR 32 HG1 THR 32 0.975 4.291 10.809 241 1HG2 THR 32 2HG2 THR 32 0.090 6.099 8.191 242 2HG2 THR 32 1HG2 THR 32 -0.231 5.563 9.840 243 3HG2 THR 32 3HG2 THR 32 1.009 6.779 9.534 244 1HB TYR 33 2HB TYR 33 5.204 1.244 7.888 245 2HB TYR 33 1HB TYR 33 4.874 0.844 9.567 246 H TYR 33 H TYR 33 3.558 2.773 7.939 247 HA TYR 33 HA TYR 33 2.905 0.153 7.404 248 HD1 TYR 33 HD1 TYR 33 5.498 -0.561 6.219 249 HD2 TYR 33 HD2 TYR 33 5.029 -1.404 10.363 250 HE1 TYR 33 HE1 TYR 33 6.369 -2.830 5.850 251 HE2 TYR 33 HE2 TYR 33 5.898 -3.676 10.005 252 HH TYR 33 HH TYR 33 7.577 -4.714 8.023 253 1HB LYS 34 2HB LYS 34 2.244 2.500 12.423 254 2HB LYS 34 1HB LYS 34 0.970 1.747 13.369 255 1HG LYS 34 2HG LYS 34 3.323 0.215 13.731 256 2HG LYS 34 1HG LYS 34 3.741 1.917 13.938 257 1HD LYS 34 2HD LYS 34 1.955 2.178 15.571 258 2HD LYS 34 1HD LYS 34 1.480 0.494 15.340 259 1HE LYS 34 2HE LYS 34 2.827 0.076 17.079 260 2HE LYS 34 1HE LYS 34 4.136 0.255 15.911 261 H LYS 34 H LYS 34 2.955 1.746 10.575 262 HA LYS 34 HA LYS 34 2.157 -0.412 12.131 263 1HZ LYS 34 2HZ LYS 34 3.932 2.746 16.542 264 2HZ LYS 34 1HZ LYS 34 3.192 2.156 17.943 265 3HZ LYS 34 3HZ LYS 34 4.774 1.691 17.560 266 1HB GLN 35 2HB GLN 35 -1.616 2.545 8.823 267 2HB GLN 35 1HB GLN 35 -3.231 2.395 9.492 268 1HG GLN 35 2HG GLN 35 -2.512 3.662 11.469 269 2HG GLN 35 1HG GLN 35 -0.918 3.853 10.743 270 1HE2 GLN 35 1HE2 GLN 35 -2.962 5.830 11.533 271 2HE2 GLN 35 2HE2 GLN 35 -3.259 6.774 10.117 272 H GLN 35 H GLN 35 0.167 2.056 10.527 273 HA GLN 35 HA GLN 35 -2.323 1.130 11.400 274 1HB LEU 36 2HB LEU 36 0.636 -0.871 7.164 275 2HB LEU 36 1HB LEU 36 0.373 -2.595 7.002 276 H LEU 36 H LEU 36 -0.270 0.152 8.722 277 HA LEU 36 HA LEU 36 -2.176 -1.440 7.372 278 HG LEU 36 HG LEU 36 0.355 -1.676 4.810 279 1HD1 LEU 36 2HD1 LEU 36 -1.659 -3.192 5.743 280 2HD1 LEU 36 1HD1 LEU 36 -2.572 -1.809 5.138 281 3HD1 LEU 36 3HD1 LEU 36 -1.504 -2.704 4.056 282 1HD2 LEU 36 2HD2 LEU 36 -0.820 0.577 6.105 283 2HD2 LEU 36 1HD2 LEU 36 -0.161 0.452 4.474 284 3HD2 LEU 36 3HD2 LEU 36 -1.857 0.073 4.771 285 1HB GLU 37 2HB GLU 37 1.373 -3.480 11.479 286 2HB GLU 37 1HB GLU 37 0.089 -2.856 12.499 287 1HG GLU 37 2HG GLU 37 -0.405 -5.358 12.963 288 2HG GLU 37 1HG GLU 37 1.243 -5.603 12.387 289 H GLU 37 H GLU 37 -0.116 -1.983 10.123 290 HA GLU 37 HA GLU 37 -0.306 -4.807 10.223 291 H ALA 38 H ALA 38 -1.952 -2.297 12.111 292 HA ALA 38 HA ALA 38 -3.752 -3.870 13.490 293 1HB ALA 38 1HB ALA 38 -3.402 -1.444 13.857 294 2HB ALA 38 2HB ALA 38 -5.106 -1.887 13.756 295 3HB ALA 38 3HB ALA 38 -4.312 -1.121 12.380 296 H ALA 39 H ALA 39 -3.770 -2.836 10.177 297 HA ALA 39 HA ALA 39 -6.492 -3.668 9.673 298 1HB ALA 39 3HB ALA 39 -4.339 -2.976 7.680 299 2HB ALA 39 1HB ALA 39 -5.398 -1.795 8.451 300 3HB ALA 39 2HB ALA 39 -6.079 -3.032 7.394 301 1HB ARG 40 2HB ARG 40 -1.605 -6.275 8.172 302 2HB ARG 40 1HB ARG 40 -1.701 -7.070 9.738 303 1HG ARG 40 2HG ARG 40 -2.385 -9.018 7.841 304 2HG ARG 40 1HG ARG 40 -0.990 -8.159 7.187 305 1HD ARG 40 2HD ARG 40 -0.941 -8.973 10.048 306 2HD ARG 40 1HD ARG 40 -0.709 -10.214 8.819 307 1HH1 ARG 40 1HH1 ARG 40 0.147 -8.808 11.321 308 2HH1 ARG 40 2HH1 ARG 40 1.695 -8.320 11.930 309 1HH2 ARG 40 1HH2 ARG 40 3.179 -8.059 8.775 310 2HH2 ARG 40 2HH2 ARG 40 3.417 -7.896 10.483 311 H ARG 40 H ARG 40 -3.277 -4.986 9.389 312 HA ARG 40 HA ARG 40 -3.921 -7.171 7.694 313 HE ARG 40 HE ARG 40 1.139 -8.702 7.983 314 1HB LYS 41 2HB LYS 41 -4.628 -8.578 14.066 315 2HB LYS 41 1HB LYS 41 -3.691 -7.288 13.326 316 1HG LYS 41 2HG LYS 41 -5.490 -5.840 13.254 317 2HG LYS 41 1HG LYS 41 -6.672 -7.145 13.367 318 1HD LYS 41 2HD LYS 41 -4.983 -7.170 15.683 319 2HD LYS 41 1HD LYS 41 -5.651 -5.553 15.452 320 1HE LYS 41 2HE LYS 41 -7.124 -6.877 16.851 321 2HE LYS 41 1HE LYS 41 -7.904 -6.517 15.310 322 H LYS 41 H LYS 41 -3.979 -6.679 11.164 323 HA LYS 41 HA LYS 41 -4.360 -9.364 11.908 324 1HZ LYS 41 2HZ LYS 41 -6.645 -8.882 14.860 325 2HZ LYS 41 1HZ LYS 41 -7.202 -9.050 16.447 326 3HZ LYS 41 3HZ LYS 41 -8.289 -8.691 15.203 327 1HG1 ILE 42 2HG1 ILE 42 -8.630 -4.885 9.093 328 2HG1 ILE 42 1HG1 ILE 42 -8.023 -6.477 8.651 329 H ILE 42 H ILE 42 -6.490 -6.930 10.691 330 HA ILE 42 HA ILE 42 -8.896 -8.277 11.580 331 HB ILE 42 HB ILE 42 -10.117 -6.502 10.722 332 1HG2 ILE 42 1HG2 ILE 42 -7.414 -5.591 11.617 333 2HG2 ILE 42 3HG2 ILE 42 -8.639 -4.414 11.142 334 3HG2 ILE 42 2HG2 ILE 42 -8.957 -5.530 12.469 335 1HD1 ILE 42 3HD1 ILE 42 -10.956 -6.142 8.802 336 2HD1 ILE 42 2HD1 ILE 42 -10.110 -5.366 7.463 337 3HD1 ILE 42 1HD1 ILE 42 -9.977 -7.109 7.701 338 1HA GLY 43 1HA GLY 43 -8.694 -10.113 7.475 339 2HA GLY 43 2HA GLY 43 -6.965 -10.428 7.533 340 H GLY 43 H GLY 43 -6.747 -8.462 8.957 341 1HB PHE 44 2HB PHE 44 -6.523 -5.376 6.487 342 2HB PHE 44 1HB PHE 44 -4.841 -5.700 6.082 343 H PHE 44 H PHE 44 -6.029 -7.838 7.144 344 HA PHE 44 HA PHE 44 -7.128 -6.971 4.579 345 HD1 PHE 44 HD1 PHE 44 -6.741 -5.858 3.141 346 HD2 PHE 44 HD2 PHE 44 -5.075 -3.084 5.905 347 HE1 PHE 44 HE1 PHE 44 -6.834 -4.095 1.427 348 HE2 PHE 44 HE2 PHE 44 -5.169 -1.318 4.197 349 HZ PHE 44 HZ PHE 44 -6.051 -1.823 1.955 350 1HB HIS 45 2HB HIS 45 -4.267 -11.258 3.719 351 2HB HIS 45 1HB HIS 45 -5.728 -11.086 2.756 352 H HIS 45 H HIS 45 -6.364 -9.020 3.598 353 HA HIS 45 HA HIS 45 -3.478 -9.133 3.127 354 HD1 HIS 45 HD1 HIS 45 -5.615 -12.841 1.024 355 HD2 HIS 45 HD2 HIS 45 -1.958 -10.937 1.532 356 HE1 HIS 45 HE1 HIS 45 -4.093 -13.827 -0.715 357 HE2 HIS 45 HE2 HIS 45 -1.928 -12.568 -0.474 358 H VAL 46 H VAL 46 -2.650 -8.234 1.380 359 HA VAL 46 HA VAL 46 -4.037 -8.406 -1.170 360 HB VAL 46 HB VAL 46 -2.969 -5.702 -0.542 361 1HG1 VAL 46 3HG1 VAL 46 -5.311 -6.713 -2.150 362 2HG1 VAL 46 2HG1 VAL 46 -4.804 -5.027 -2.035 363 3HG1 VAL 46 1HG1 VAL 46 -3.740 -6.220 -2.781 364 1HG2 VAL 46 3HG2 VAL 46 -5.550 -6.785 0.551 365 2HG2 VAL 46 2HG2 VAL 46 -4.267 -5.931 1.408 366 3HG2 VAL 46 1HG2 VAL 46 -5.294 -5.064 0.265 367 1HB CYS 47 2HB CYS 47 -0.562 -9.742 -4.741 368 2HB CYS 47 1HB CYS 47 0.437 -10.630 -3.592 369 H CYS 47 H CYS 47 -2.569 -9.157 -2.553 370 HA CYS 47 HA CYS 47 0.227 -9.054 -1.990 371 H ALA 48 H ALA 48 -1.650 -6.629 -2.877 372 HA ALA 48 HA ALA 48 0.164 -5.521 -4.897 373 1HB ALA 48 2HB ALA 48 -2.471 -5.511 -5.006 374 2HB ALA 48 3HB ALA 48 -1.525 -4.146 -5.601 375 3HB ALA 48 1HB ALA 48 -2.279 -4.070 -4.008 376 H ALA 49 H ALA 49 1.783 -4.330 -4.183 377 HA ALA 49 HA ALA 49 2.051 -3.464 -1.529 378 1HB ALA 49 2HB ALA 49 4.134 -3.495 -2.323 379 2HB ALA 49 1HB ALA 49 3.587 -3.301 -3.989 380 3HB ALA 49 3HB ALA 49 3.795 -1.885 -2.958 381 1HA GLY 50 2HA GLY 50 -0.264 0.058 -0.426 382 2HA GLY 50 1HA GLY 50 0.156 0.454 -2.084 383 H GLY 50 H GLY 50 1.449 -1.664 -0.487 384 1HB TRP 51 2HB TRP 51 1.586 4.576 -2.530 385 2HB TRP 51 1HB TRP 51 2.901 5.385 -1.682 386 H TRP 51 H TRP 51 0.962 2.452 -2.090 387 HA TRP 51 HA TRP 51 3.419 3.003 -0.750 388 HD1 TRP 51 HD1 TRP 51 2.210 3.040 -4.581 389 HE1 TRP 51 HE1 TRP 51 4.409 2.621 -5.867 390 HE3 TRP 51 HE3 TRP 51 5.489 5.276 -1.364 391 HZ2 TRP 51 HZ2 TRP 51 7.149 3.191 -5.577 392 HZ3 TRP 51 HZ3 TRP 51 7.875 5.291 -1.942 393 HH2 TRP 51 HH2 TRP 51 8.691 4.275 -4.004 394 1HB MET 52 2HB MET 52 2.389 4.504 4.579 395 2HB MET 52 1HB MET 52 1.581 3.398 3.478 396 1HG MET 52 2HG MET 52 3.860 2.654 2.726 397 2HG MET 52 1HG MET 52 4.520 3.595 4.062 398 H MET 52 H MET 52 3.826 4.107 1.070 399 HA MET 52 HA MET 52 1.630 5.521 2.402 400 1HE MET 52 3HE MET 52 4.789 0.753 3.144 401 2HE MET 52 2HE MET 52 4.877 -0.179 4.638 402 3HE MET 52 1HE MET 52 3.486 -0.358 3.568 403 H ALA 53 H ALA 53 2.881 6.236 4.711 404 HA ALA 53 HA ALA 53 4.342 8.475 4.036 405 1HB ALA 53 2HB ALA 53 4.907 8.678 6.362 406 2HB ALA 53 3HB ALA 53 4.592 6.964 6.632 407 3HB ALA 53 1HB ALA 53 3.263 8.052 6.231 408 1HB LYS 54 2HB LYS 54 8.052 6.706 5.828 409 2HB LYS 54 1HB LYS 54 9.134 5.965 4.657 410 1HG LYS 54 2HG LYS 54 10.704 6.668 6.103 411 2HG LYS 54 1HG LYS 54 10.537 8.178 5.207 412 1HD LYS 54 2HD LYS 54 8.569 7.986 7.314 413 2HD LYS 54 1HD LYS 54 10.207 7.810 7.948 414 1HE LYS 54 2HE LYS 54 10.393 10.021 7.868 415 2HE LYS 54 1HE LYS 54 10.363 9.897 6.109 416 H LYS 54 H LYS 54 6.578 9.027 4.356 417 HA LYS 54 HA LYS 54 8.815 8.759 4.051 418 1HZ LYS 54 3HZ LYS 54 7.743 9.789 7.239 419 2HZ LYS 54 2HZ LYS 54 8.549 11.213 7.667 420 3HZ LYS 54 1HZ LYS 54 8.355 10.810 6.036 421 1HA GLY 55 1HA GLY 55 8.287 6.816 0.070 422 2HA GLY 55 2HA GLY 55 6.556 6.509 0.095 423 H GLY 55 H GLY 55 6.523 7.182 2.306 424 1HB ARG 56 2HB ARG 56 7.806 3.240 4.035 425 2HB ARG 56 1HB ARG 56 6.296 2.394 3.724 426 1HG ARG 56 2HG ARG 56 7.545 0.342 3.260 427 2HG ARG 56 1HG ARG 56 9.054 1.194 3.595 428 1HD ARG 56 2HD ARG 56 6.872 0.393 5.473 429 2HD ARG 56 1HD ARG 56 8.610 0.134 5.607 430 1HH1 ARG 56 2HH1 ARG 56 10.214 0.972 5.864 431 2HH1 ARG 56 1HH1 ARG 56 11.091 2.130 6.806 432 1HH2 ARG 56 2HH2 ARG 56 8.284 4.078 7.553 433 2HH2 ARG 56 1HH2 ARG 56 9.993 3.897 7.768 434 H ARG 56 H ARG 56 6.787 4.750 2.448 435 HA ARG 56 HA ARG 56 8.441 2.536 1.624 436 HE ARG 56 HE ARG 56 7.140 2.546 6.311 437 H VAL 57 H VAL 57 7.855 0.841 0.405 438 HA VAL 57 HA VAL 57 4.990 0.530 -0.208 439 HB VAL 57 HB VAL 57 7.280 0.760 -2.014 440 1HG1 VAL 57 2HG1 VAL 57 6.938 -1.696 -2.070 441 2HG1 VAL 57 1HG1 VAL 57 5.267 -1.416 -2.563 442 3HG1 VAL 57 3HG1 VAL 57 6.593 -0.906 -3.609 443 1HG2 VAL 57 1HG2 VAL 57 4.362 1.230 -2.013 444 2HG2 VAL 57 3HG2 VAL 57 5.691 2.298 -2.469 445 3HG2 VAL 57 2HG2 VAL 57 5.166 1.019 -3.569 446 1HA GLY 58 2HA GLY 58 5.189 -3.379 1.681 447 2HA GLY 58 1HA GLY 58 5.610 -3.834 0.038 448 H GLY 58 H GLY 58 4.109 -1.380 0.189 449 1HB TYR 59 2HB TYR 59 1.369 -7.310 -1.074 450 2HB TYR 59 1HB TYR 59 1.698 -5.719 -1.755 451 H TYR 59 H TYR 59 4.267 -5.736 0.639 452 HA TYR 59 HA TYR 59 1.392 -5.176 0.466 453 HD1 TYR 59 HD1 TYR 59 4.227 -5.049 -1.911 454 HD2 TYR 59 HD2 TYR 59 2.838 -9.060 -1.514 455 HE1 TYR 59 HE1 TYR 59 6.356 -5.872 -2.824 456 HE2 TYR 59 HE2 TYR 59 4.965 -9.886 -2.427 457 HH TYR 59 HH TYR 59 7.174 -7.936 -4.013 458 1HB PRO 60 2HB PRO 60 -0.824 -7.716 4.744 459 2HB PRO 60 1HB PRO 60 0.497 -6.632 5.183 460 1HG PRO 60 2HG PRO 60 -1.604 -6.312 3.087 461 2HG PRO 60 1HG PRO 60 -0.920 -5.102 4.185 462 1HD PRO 60 2HD PRO 60 -0.186 -5.314 1.581 463 2HD PRO 60 1HD PRO 60 0.918 -4.746 2.850 464 HA PRO 60 HA PRO 60 1.757 -8.065 3.916 465 1HG1 ILE 61 2HG1 ILE 61 2.765 -10.430 1.097 466 2HG1 ILE 61 1HG1 ILE 61 2.682 -11.486 -0.309 467 H ILE 61 H ILE 61 1.843 -10.082 3.055 468 HA ILE 61 HA ILE 61 -0.524 -11.127 1.681 469 HB ILE 61 HB ILE 61 2.085 -12.590 1.880 470 1HG2 ILE 61 1HG2 ILE 61 -0.396 -13.073 0.654 471 2HG2 ILE 61 3HG2 ILE 61 0.737 -12.702 -0.646 472 3HG2 ILE 61 2HG2 ILE 61 1.091 -14.007 0.488 473 1HD1 ILE 61 2HD1 ILE 61 0.248 -9.949 0.314 474 2HD1 ILE 61 1HD1 ILE 61 1.644 -9.035 -0.257 475 3HD1 ILE 61 3HD1 ILE 61 0.984 -10.340 -1.240 476 H VAL 62 H VAL 62 -1.894 -11.708 3.314 477 HA VAL 62 HA VAL 62 -0.949 -13.343 5.517 478 HB VAL 62 HB VAL 62 -3.822 -12.675 4.912 479 1HG1 VAL 62 1HG1 VAL 62 -2.289 -13.615 7.297 480 2HG1 VAL 62 3HG1 VAL 62 -3.773 -12.687 7.517 481 3HG1 VAL 62 2HG1 VAL 62 -3.809 -14.212 6.632 482 1HG2 VAL 62 2HG2 VAL 62 -1.728 -10.966 6.230 483 2HG2 VAL 62 1HG2 VAL 62 -2.789 -10.554 4.882 484 3HG2 VAL 62 3HG2 VAL 62 -3.456 -10.738 6.505 485 1HB LYS 63 2HB LYS 63 -4.875 -14.919 2.359 486 2HB LYS 63 1HB LYS 63 -4.312 -15.304 0.740 487 1HG LYS 63 2HG LYS 63 -4.736 -17.634 1.072 488 2HG LYS 63 1HG LYS 63 -5.096 -17.372 2.781 489 1HD LYS 63 2HD LYS 63 -6.958 -15.823 1.977 490 2HD LYS 63 1HD LYS 63 -6.700 -16.529 0.382 491 1HE LYS 63 2HE LYS 63 -8.350 -17.901 1.167 492 2HE LYS 63 1HE LYS 63 -6.925 -18.789 1.701 493 H LYS 63 H LYS 63 -2.502 -13.732 2.446 494 HA LYS 63 HA LYS 63 -2.902 -16.595 3.018 495 1HZ LYS 63 2HZ LYS 63 -7.608 -16.930 3.682 496 2HZ LYS 63 1HZ LYS 63 -9.009 -17.775 3.259 497 3HZ LYS 63 3HZ LYS 63 -7.635 -18.619 3.774 498 1HB PRO 64 2HB PRO 64 0.591 -19.345 0.937 499 2HB PRO 64 1HB PRO 64 1.959 -18.233 0.855 500 1HG PRO 64 2HG PRO 64 0.879 -18.931 3.196 501 2HG PRO 64 1HG PRO 64 1.490 -17.293 2.912 502 1HD PRO 64 1HD PRO 64 -1.320 -18.277 3.017 503 2HD PRO 64 2HD PRO 64 -0.649 -16.713 3.522 504 HA PRO 64 HA PRO 64 0.665 -16.490 0.115 505 1HA GLY 65 2HA GLY 65 -1.425 -18.104 -3.311 506 2HA GLY 65 1HA GLY 65 -0.432 -19.532 -3.063 507 H GLY 65 H GLY 65 0.970 -17.429 -1.934 508 1HB PRO 66 2HB PRO 66 0.228 -18.919 -8.762 509 2HB PRO 66 1HB PRO 66 0.893 -20.245 -7.803 510 1HG PRO 66 2HG PRO 66 -1.803 -18.954 -7.639 511 2HG PRO 66 1HG PRO 66 -1.380 -20.674 -7.566 512 1HD PRO 66 2HD PRO 66 -1.924 -19.213 -5.352 513 2HD PRO 66 1HD PRO 66 -0.767 -20.560 -5.346 514 HA PRO 66 HA PRO 66 1.900 -18.528 -6.657 515 1HB ASN 67 2HB ASN 67 0.661 -15.834 -9.927 516 2HB ASN 67 1HB ASN 67 -0.302 -14.583 -9.148 517 1HD2 ASN 67 1HD2 ASN 67 1.492 -15.310 -11.804 518 2HD2 ASN 67 2HD2 ASN 67 1.858 -13.712 -12.349 519 H ASN 67 H ASN 67 2.550 -16.750 -7.732 520 HA ASN 67 HA ASN 67 2.600 -14.618 -8.521 521 1HB CYS 68 2HB CYS 68 -0.919 -14.740 -4.939 522 2HB CYS 68 1HB CYS 68 -0.740 -13.927 -3.388 523 H CYS 68 H CYS 68 1.740 -15.206 -5.720 524 HA CYS 68 HA CYS 68 0.950 -12.501 -5.057 525 1HA GLY 69 2HA GLY 69 1.710 -16.084 -1.182 526 2HA GLY 69 1HA GLY 69 2.239 -14.413 -1.030 527 H GLY 69 H GLY 69 0.742 -15.519 -3.196 528 1HB PHE 70 2HB PHE 70 6.247 -13.241 -1.195 529 2HB PHE 70 1HB PHE 70 7.372 -14.306 -0.360 530 H PHE 70 H PHE 70 4.363 -14.288 -0.801 531 HA PHE 70 HA PHE 70 6.120 -15.536 -2.708 532 HD1 PHE 70 HD1 PHE 70 9.079 -15.554 -1.917 533 HD2 PHE 70 HD2 PHE 70 7.016 -11.979 -2.954 534 HE1 PHE 70 HE1 PHE 70 10.809 -15.045 -3.590 535 HE2 PHE 70 HE2 PHE 70 8.742 -11.464 -4.629 536 HZ PHE 70 HZ PHE 70 10.643 -12.997 -4.948 537 1HA GLY 71 1HA GLY 71 6.829 -18.563 0.535 538 2HA GLY 71 2HA GLY 71 5.124 -19.000 0.560 539 H GLY 71 H GLY 71 4.635 -16.652 0.010 540 1HB LYS 72 2HB LYS 72 7.564 -14.809 3.373 541 2HB LYS 72 1HB LYS 72 6.982 -14.568 5.015 542 1HG LYS 72 2HG LYS 72 9.093 -15.372 5.395 543 2HG LYS 72 1HG LYS 72 8.145 -16.859 5.462 544 1HD LYS 72 2HD LYS 72 9.887 -17.478 4.082 545 2HD LYS 72 1HD LYS 72 8.665 -16.978 2.911 546 1HE LYS 72 2HE LYS 72 9.925 -14.626 3.369 547 2HE LYS 72 1HE LYS 72 11.258 -15.762 3.578 548 H LYS 72 H LYS 72 6.360 -16.015 1.908 549 HA LYS 72 HA LYS 72 6.146 -17.096 4.619 550 1HZ LYS 72 2HZ LYS 72 10.259 -16.723 1.358 551 2HZ LYS 72 1HZ LYS 72 9.713 -15.133 1.179 552 3HZ LYS 72 3HZ LYS 72 11.367 -15.447 1.348 553 H THR 73 H THR 73 5.102 -15.705 6.276 554 HA THR 73 HA THR 73 2.677 -14.451 5.169 555 HB THR 73 HB THR 73 1.573 -14.995 7.305 556 HG1 THR 73 HG1 THR 73 2.662 -15.871 8.927 557 1HG2 THR 73 1HG2 THR 73 2.840 -17.285 5.807 558 2HG2 THR 73 3HG2 THR 73 1.571 -17.499 7.015 559 3HG2 THR 73 2HG2 THR 73 1.247 -16.572 5.550 560 1HA GLY 74 2HA GLY 74 4.297 -10.998 7.354 561 2HA GLY 74 1HA GLY 74 2.567 -10.678 7.396 562 H GLY 74 H GLY 74 2.626 -12.314 5.340 563 1HG1 ILE 75 1HG1 ILE 75 2.072 -5.334 5.123 564 2HG1 ILE 75 2HG1 ILE 75 1.802 -6.323 6.554 565 H ILE 75 H ILE 75 3.605 -8.443 7.106 566 HA ILE 75 HA ILE 75 2.979 -7.487 4.553 567 HB ILE 75 HB ILE 75 4.258 -6.326 6.965 568 1HG2 ILE 75 1HG2 ILE 75 4.559 -5.176 4.207 569 2HG2 ILE 75 3HG2 ILE 75 4.599 -4.169 5.655 570 3HG2 ILE 75 2HG2 ILE 75 5.801 -5.440 5.431 571 1HD1 ILE 75 3HD1 ILE 75 3.098 -4.384 7.747 572 2HD1 ILE 75 2HD1 ILE 75 2.567 -3.463 6.341 573 3HD1 ILE 75 1HD1 ILE 75 1.378 -4.245 7.384 574 1HG1 ILE 76 1HG1 ILE 76 5.143 -9.988 2.489 575 2HG1 ILE 76 2HG1 ILE 76 4.079 -9.929 1.087 576 H ILE 76 H ILE 76 4.065 -7.510 2.707 577 HA ILE 76 HA ILE 76 6.903 -8.230 2.739 578 HB ILE 76 HB ILE 76 5.070 -8.062 0.351 579 1HG2 ILE 76 3HG2 ILE 76 7.566 -7.958 0.020 580 2HG2 ILE 76 2HG2 ILE 76 7.635 -9.601 0.658 581 3HG2 ILE 76 1HG2 ILE 76 6.735 -9.267 -0.821 582 1HD1 ILE 76 2HD1 ILE 76 6.843 -11.094 1.014 583 2HD1 ILE 76 1HD1 ILE 76 5.388 -12.035 1.348 584 3HD1 ILE 76 3HD1 ILE 76 5.577 -11.226 -0.208 585 1HB ASP 77 2HB ASP 77 6.396 -3.030 2.537 586 2HB ASP 77 1HB ASP 77 7.023 -3.794 3.993 587 H ASP 77 H ASP 77 7.716 -6.186 3.350 588 HA ASP 77 HA ASP 77 7.750 -4.249 1.144 589 1HB TYR 78 2HB TYR 78 11.528 -4.972 -0.553 590 2HB TYR 78 1HB TYR 78 12.629 -3.599 -0.484 591 H TYR 78 H TYR 78 9.755 -3.989 0.449 592 HA TYR 78 HA TYR 78 11.997 -4.711 2.152 593 HD1 TYR 78 HD1 TYR 78 14.842 -3.888 0.720 594 HD2 TYR 78 HD2 TYR 78 12.327 -7.168 -0.292 595 HE1 TYR 78 HE1 TYR 78 16.749 -5.421 0.974 596 HE2 TYR 78 HE2 TYR 78 14.227 -8.709 -0.041 597 HH TYR 78 HH TYR 78 16.803 -8.211 1.553 598 1HA GLY 79 2HA GLY 79 12.551 -0.542 3.337 599 2HA GLY 79 1HA GLY 79 10.833 -0.224 3.581 600 H GLY 79 H GLY 79 10.432 -2.344 2.791 601 1HG1 ILE 80 2HG1 ILE 80 12.161 3.905 3.449 602 2HG1 ILE 80 1HG1 ILE 80 11.761 5.460 2.732 603 H ILE 80 H ILE 80 11.982 1.941 2.821 604 HA ILE 80 HA ILE 80 10.828 2.757 0.480 605 HB ILE 80 HB ILE 80 13.434 3.866 1.508 606 1HG2 ILE 80 2HG2 ILE 80 11.466 4.700 -0.478 607 2HG2 ILE 80 1HG2 ILE 80 11.853 5.955 0.698 608 3HG2 ILE 80 3HG2 ILE 80 13.139 5.212 -0.254 609 1HD1 ILE 80 1HD1 ILE 80 9.864 3.804 1.664 610 2HD1 ILE 80 3HD1 ILE 80 10.064 3.181 3.302 611 3HD1 ILE 80 2HD1 ILE 80 9.649 4.877 3.048 612 1HB ARG 81 2HB ARG 81 11.322 1.885 -4.083 613 2HB ARG 81 1HB ARG 81 12.308 0.506 -4.552 614 1HG ARG 81 2HG ARG 81 10.120 0.475 -2.483 615 2HG ARG 81 1HG ARG 81 9.991 -0.133 -4.134 616 1HD ARG 81 2HD ARG 81 11.955 -1.149 -2.085 617 2HD ARG 81 1HD ARG 81 10.403 -1.906 -2.441 618 1HH1 ARG 81 2HH1 ARG 81 9.640 -3.123 -3.328 619 2HH1 ARG 81 1HH1 ARG 81 9.698 -4.390 -4.507 620 1HH2 ARG 81 1HH2 ARG 81 12.775 -3.402 -5.843 621 2HH2 ARG 81 2HH2 ARG 81 11.480 -4.549 -5.937 622 H ARG 81 H ARG 81 11.078 1.864 -1.470 623 HA ARG 81 HA ARG 81 13.286 0.395 -2.337 624 HE ARG 81 HE ARG 81 12.688 -1.736 -4.287 625 1HB LEU 82 2HB LEU 82 16.185 2.979 -2.535 626 2HB LEU 82 1HB LEU 82 16.721 4.254 -3.609 627 H LEU 82 H LEU 82 13.218 3.619 -1.702 628 HA LEU 82 HA LEU 82 14.599 5.366 -2.160 629 HG LEU 82 HG LEU 82 18.007 4.291 -1.556 630 1HD1 LEU 82 3HD1 LEU 82 16.261 6.520 -2.337 631 2HD1 LEU 82 2HD1 LEU 82 16.991 6.661 -0.738 632 3HD1 LEU 82 1HD1 LEU 82 18.015 6.456 -2.159 633 1HD2 LEU 82 1HD2 LEU 82 15.502 3.710 -0.356 634 2HD2 LEU 82 3HD2 LEU 82 17.097 3.766 0.393 635 3HD2 LEU 82 2HD2 LEU 82 16.104 5.221 0.325 636 1HB ASN 83 2HB ASN 83 14.784 4.203 -7.056 637 2HB ASN 83 1HB ASN 83 13.452 3.052 -6.992 638 1HD2 ASN 83 2HD2 ASN 83 12.489 2.647 -8.836 639 2HD2 ASN 83 1HD2 ASN 83 12.451 3.683 -10.219 640 H ASN 83 H ASN 83 12.750 4.046 -4.283 641 HA ASN 83 HA ASN 83 13.298 6.000 -6.323 642 1HB ARG 84 2HB ARG 84 7.706 7.323 -5.809 643 2HB ARG 84 1HB ARG 84 8.956 7.292 -4.574 644 1HG ARG 84 2HG ARG 84 10.437 8.389 -6.391 645 2HG ARG 84 1HG ARG 84 8.900 8.774 -7.165 646 1HD ARG 84 2HD ARG 84 8.318 10.281 -5.575 647 2HD ARG 84 1HD ARG 84 9.113 9.384 -4.282 648 1HH1 ARG 84 1HH1 ARG 84 8.343 11.727 -6.426 649 2HH1 ARG 84 2HH1 ARG 84 9.118 13.215 -6.855 650 1HH2 ARG 84 1HH2 ARG 84 12.227 12.316 -5.535 651 2HH2 ARG 84 2HH2 ARG 84 11.326 13.549 -6.350 652 H ARG 84 H ARG 84 11.252 6.772 -5.781 653 HA ARG 84 HA ARG 84 8.926 5.162 -5.699 654 HE ARG 84 HE ARG 84 11.199 10.358 -4.973 655 1HB SER 85 2HB SER 85 11.657 5.837 -10.116 656 2HB SER 85 1HB SER 85 11.135 4.628 -11.289 657 H SER 85 H SER 85 10.743 5.233 -8.202 658 HA SER 85 HA SER 85 8.851 6.051 -10.249 659 HG SER 85 HG SER 85 11.477 6.672 -12.258 660 1HB GLU 86 2HB GLU 86 7.514 1.402 -7.390 661 2HB GLU 86 1HB GLU 86 8.109 -0.004 -8.263 662 1HG GLU 86 2HG GLU 86 9.909 2.225 -7.369 663 2HG GLU 86 1HG GLU 86 9.529 0.835 -6.353 664 H GLU 86 H GLU 86 8.886 3.513 -8.321 665 HA GLU 86 HA GLU 86 8.773 1.309 -10.129 666 1HB ARG 87 2HB ARG 87 5.046 -0.952 -11.643 667 2HB ARG 87 1HB ARG 87 3.561 -0.060 -11.942 668 1HG ARG 87 2HG ARG 87 5.101 1.900 -12.555 669 2HG ARG 87 1HG ARG 87 6.373 0.681 -12.649 670 1HD ARG 87 2HD ARG 87 5.135 -0.540 -14.324 671 2HD ARG 87 1HD ARG 87 3.777 0.576 -14.177 672 1HH1 ARG 87 1HH1 ARG 87 4.339 -0.609 -16.250 673 2HH1 ARG 87 2HH1 ARG 87 4.732 -0.159 -17.876 674 1HH2 ARG 87 2HH2 ARG 87 6.443 2.751 -16.964 675 2HH2 ARG 87 1HH2 ARG 87 5.930 1.752 -18.283 676 H ARG 87 H ARG 87 6.532 -0.088 -9.535 677 HA ARG 87 HA ARG 87 4.276 1.632 -10.280 678 HE ARG 87 HE ARG 87 5.919 2.151 -14.830 679 1HB TRP 88 2HB TRP 88 3.535 0.810 -5.710 680 2HB TRP 88 1HB TRP 88 2.577 -0.552 -5.152 681 H TRP 88 H TRP 88 3.410 1.424 -8.224 682 HA TRP 88 HA TRP 88 2.371 -1.257 -7.578 683 HD1 TRP 88 HD1 TRP 88 6.018 0.410 -5.593 684 HE1 TRP 88 HE1 TRP 88 7.583 -1.634 -5.618 685 HE3 TRP 88 HE3 TRP 88 2.534 -3.251 -6.297 686 HZ2 TRP 88 HZ2 TRP 88 7.357 -4.439 -5.891 687 HZ3 TRP 88 HZ3 TRP 88 3.287 -5.590 -6.430 688 HH2 TRP 88 HH2 TRP 88 5.650 -6.170 -6.234 689 1HB ASP 89 2HB ASP 89 -1.283 -0.977 -4.665 690 2HB ASP 89 1HB ASP 89 -2.597 0.191 -4.792 691 H ASP 89 H ASP 89 1.050 -0.204 -5.211 692 HA ASP 89 HA ASP 89 -1.057 1.435 -6.457 693 H ALA 90 H ALA 90 -2.295 1.104 -3.590 694 HA ALA 90 HA ALA 90 -0.538 2.530 -1.868 695 1HB ALA 90 1HB ALA 90 -0.875 4.436 -3.183 696 2HB ALA 90 2HB ALA 90 -1.972 4.636 -1.817 697 3HB ALA 90 3HB ALA 90 -2.597 4.106 -3.378 698 1HB TYR 91 2HB TYR 91 -1.227 1.312 2.206 699 2HB TYR 91 1HB TYR 91 -2.720 1.039 3.096 700 H TYR 91 H TYR 91 -1.207 2.436 0.203 701 HA TYR 91 HA TYR 91 -3.814 1.195 0.703 702 HD1 TYR 91 HD1 TYR 91 -4.287 -0.801 1.669 703 HD2 TYR 91 HD2 TYR 91 -0.035 -0.611 1.853 704 HE1 TYR 91 HE1 TYR 91 -4.160 -3.200 1.148 705 HE2 TYR 91 HE2 TYR 91 0.099 -3.009 1.327 706 HH TYR 91 HH TYR 91 -2.218 -5.102 1.678 707 1HB CYS 92 2HB CYS 92 -7.063 4.387 0.746 708 2HB CYS 92 1HB CYS 92 -6.888 6.066 1.232 709 H CYS 92 H CYS 92 -4.839 3.308 0.259 710 HA CYS 92 HA CYS 92 -4.466 5.654 1.618 711 1HB TYR 93 2HB TYR 93 -4.708 4.731 5.762 712 2HB TYR 93 1HB TYR 93 -4.722 6.464 6.078 713 H TYR 93 H TYR 93 -6.013 6.612 3.254 714 HA TYR 93 HA TYR 93 -7.160 4.889 5.225 715 HD1 TYR 93 HD1 TYR 93 -7.081 6.967 7.605 716 HD2 TYR 93 HD2 TYR 93 -4.522 3.572 7.750 717 HE1 TYR 93 HE1 TYR 93 -7.794 6.539 9.919 718 HE2 TYR 93 HE2 TYR 93 -5.226 3.134 10.066 719 HH TYR 93 HH TYR 93 -7.274 3.668 11.501 720 1HB ASN 94 2HB ASN 94 -8.900 9.056 4.520 721 2HB ASN 94 1HB ASN 94 -10.344 8.048 4.487 722 1HD2 ASN 94 1HD2 ASN 94 -10.907 10.280 3.473 723 2HD2 ASN 94 2HD2 ASN 94 -11.668 11.389 4.557 724 H ASN 94 H ASN 94 -8.796 5.950 6.139 725 HA ASN 94 HA ASN 94 -8.669 8.673 6.928 726 1HB PRO 95 2HB PRO 95 -12.153 8.793 11.141 727 2HB PRO 95 1HB PRO 95 -10.768 7.704 11.268 728 1HG PRO 95 2HG PRO 95 -10.943 10.412 10.007 729 2HG PRO 95 1HG PRO 95 -9.664 9.736 11.030 730 1HD PRO 95 2HD PRO 95 -9.448 9.873 8.338 731 2HD PRO 95 1HD PRO 95 -8.714 8.564 9.286 732 HA PRO 95 HA PRO 95 -11.760 6.685 9.466 733 1HB HIS 96 2HB HIS 96 -13.068 11.427 7.209 734 2HB HIS 96 1HB HIS 96 -14.535 11.509 6.237 735 H HIS 96 H HIS 96 -12.120 9.180 7.275 736 HA HIS 96 HA HIS 96 -15.026 9.292 7.744 737 HD1 HIS 96 HD1 HIS 96 -16.472 12.629 7.305 738 HD2 HIS 96 HD2 HIS 96 -13.695 11.315 10.102 739 HE1 HIS 96 HE1 HIS 96 -17.299 13.478 9.522 740 HE2 HIS 96 HE2 HIS 96 -15.556 12.745 11.189 741 H ALA 97 H ALA 97 -12.910 7.780 5.936 742 HA ALA 97 HA ALA 97 -13.949 8.348 3.295 743 1HB ALA 97 1HB ALA 97 -12.060 6.164 4.169 744 2HB ALA 97 3HB ALA 97 -12.377 6.684 2.515 745 3HB ALA 97 2HB ALA 97 -11.572 7.775 3.643 746 1HB LYS 98 2HB LYS 98 -16.811 6.015 6.575 747 2HB LYS 98 1HB LYS 98 -18.469 6.105 5.997 748 1HG LYS 98 2HG LYS 98 -18.769 3.874 6.089 749 2HG LYS 98 1HG LYS 98 -17.111 3.522 5.600 750 1HD LYS 98 2HD LYS 98 -17.162 2.800 7.806 751 2HD LYS 98 1HD LYS 98 -16.478 4.420 7.941 752 1HE LYS 98 2HE LYS 98 -19.087 5.011 8.161 753 2HE LYS 98 1HE LYS 98 -19.095 3.380 8.833 754 H LYS 98 H LYS 98 -16.050 7.648 4.847 755 HA LYS 98 HA LYS 98 -16.644 4.868 4.073 756 1HZ LYS 98 2HZ LYS 98 -17.026 5.205 9.785 757 2HZ LYS 98 1HZ LYS 98 -18.609 5.503 10.302 758 3HZ LYS 98 3HZ LYS 98 -17.881 4.009 10.621 No H/Q in entry = 758 Start of MODEL 14 1 1HA GLY 1 2HA GLY 1 -10.708 2.069 7.652 2 2HA GLY 1 1HA GLY 1 -9.305 2.124 8.707 3 H1 GLY 1 2H GLY 1 -9.679 4.717 7.899 4 H2 GLY 1 1H GLY 1 -11.242 4.140 8.186 5 H3 GLY 1 3H GLY 1 -10.075 4.064 9.408 6 H VAL 2 H VAL 2 -7.531 1.599 7.633 7 HA VAL 2 HA VAL 2 -6.739 3.050 5.291 8 HB VAL 2 HB VAL 2 -4.931 2.535 6.658 9 1HG1 VAL 2 1HG1 VAL 2 -6.469 0.182 7.283 10 2HG1 VAL 2 3HG1 VAL 2 -4.782 -0.235 6.974 11 3HG1 VAL 2 2HG1 VAL 2 -5.185 0.961 8.208 12 1HG2 VAL 2 1HG2 VAL 2 -4.960 1.546 4.104 13 2HG2 VAL 2 3HG2 VAL 2 -3.529 1.712 5.122 14 3HG2 VAL 2 2HG2 VAL 2 -4.379 0.169 5.041 15 1HB TYR 3 2HB TYR 3 -9.059 0.712 0.676 16 2HB TYR 3 1HB TYR 3 -9.726 0.863 2.295 17 H TYR 3 H TYR 3 -6.955 2.494 3.215 18 HA TYR 3 HA TYR 3 -7.696 -0.281 2.594 19 HD1 TYR 3 HD1 TYR 3 -8.540 3.176 3.456 20 HD2 TYR 3 HD2 TYR 3 -9.602 2.526 -0.611 21 HE1 TYR 3 HE1 TYR 3 -8.780 5.606 3.137 22 HE2 TYR 3 HE2 TYR 3 -9.839 4.949 -0.945 23 HH TYR 3 HH TYR 3 -10.312 6.971 0.507 24 1HB HIS 4 2HB HIS 4 -4.014 -1.637 -0.543 25 2HB HIS 4 1HB HIS 4 -5.605 -2.340 -0.280 26 H HIS 4 H HIS 4 -7.342 -0.829 0.267 27 HA HIS 4 HA HIS 4 -4.852 0.438 -0.665 28 HD1 HIS 4 HD1 HIS 4 -6.887 -3.197 -2.371 29 HD2 HIS 4 HD2 HIS 4 -3.066 -1.768 -3.164 30 HE1 HIS 4 HE1 HIS 4 -6.346 -3.980 -4.699 31 HE2 HIS 4 HE2 HIS 4 -4.052 -3.054 -5.180 32 1HB ARG 5 2HB ARG 5 -6.140 3.354 -3.734 33 2HB ARG 5 1HB ARG 5 -7.061 2.985 -5.184 34 1HG ARG 5 2HG ARG 5 -7.990 1.859 -2.595 35 2HG ARG 5 1HG ARG 5 -8.248 3.575 -2.917 36 1HD ARG 5 2HD ARG 5 -9.061 2.483 -5.259 37 2HD ARG 5 1HD ARG 5 -9.509 1.210 -4.125 38 1HH1 ARG 5 1HH1 ARG 5 -11.177 0.876 -4.933 39 2HH1 ARG 5 2HH1 ARG 5 -12.884 1.133 -4.802 40 1HH2 ARG 5 2HH2 ARG 5 -12.587 4.240 -3.225 41 2HH2 ARG 5 1HH2 ARG 5 -13.686 3.046 -3.831 42 H ARG 5 H ARG 5 -4.734 1.226 -2.687 43 HA ARG 5 HA ARG 5 -6.822 0.547 -4.618 44 HE ARG 5 HE ARG 5 -10.341 3.890 -3.403 45 1HB GLU 6 2HB GLU 6 -3.693 -0.001 -9.268 46 2HB GLU 6 1HB GLU 6 -4.766 -0.791 -8.123 47 1HG GLU 6 2HG GLU 6 -5.474 1.117 -10.324 48 2HG GLU 6 1HG GLU 6 -5.994 -0.554 -10.108 49 H GLU 6 H GLU 6 -6.267 1.039 -6.810 50 HA GLU 6 HA GLU 6 -3.365 1.124 -7.218 51 H ALA 7 H ALA 7 -3.197 1.888 -9.817 52 HA ALA 7 HA ALA 7 -3.222 4.684 -9.652 53 1HB ALA 7 1HB ALA 7 -2.385 4.703 -11.834 54 2HB ALA 7 3HB ALA 7 -1.827 3.167 -11.172 55 3HB ALA 7 2HB ALA 7 -3.213 3.206 -12.262 56 1HB ARG 8 2HB ARG 8 -5.014 6.974 -13.368 57 2HB ARG 8 1HB ARG 8 -6.605 6.653 -14.045 58 1HG ARG 8 2HG ARG 8 -7.359 8.631 -13.393 59 2HG ARG 8 1HG ARG 8 -6.806 8.364 -11.739 60 1HD ARG 8 2HD ARG 8 -5.403 10.061 -12.159 61 2HD ARG 8 1HD ARG 8 -4.457 8.846 -13.018 62 1HH1 ARG 8 1HH1 ARG 8 -4.411 11.551 -12.528 63 2HH1 ARG 8 2HH1 ARG 8 -4.250 12.954 -13.533 64 1HH2 ARG 8 1HH2 ARG 8 -5.805 11.502 -16.308 65 2HH2 ARG 8 2HH2 ARG 8 -5.043 12.925 -15.681 66 H ARG 8 H ARG 8 -4.233 5.860 -11.776 67 HA ARG 8 HA ARG 8 -6.855 6.386 -11.243 68 HE ARG 8 HE ARG 8 -6.013 9.662 -14.977 69 1HB SER 9 2HB SER 9 -8.572 2.304 -15.531 70 2HB SER 9 1HB SER 9 -8.544 3.992 -15.024 71 H SER 9 H SER 9 -5.589 3.909 -13.422 72 HA SER 9 HA SER 9 -8.032 2.401 -13.172 73 HG SER 9 HG SER 9 -7.037 4.321 -16.434 74 1HA GLY 10 2HA GLY 10 -3.204 1.114 -14.597 75 2HA GLY 10 1HA GLY 10 -4.496 -0.075 -14.673 76 H GLY 10 H GLY 10 -4.751 2.642 -13.567 77 1HB LYS 11 2HB LYS 11 -3.951 -3.200 -12.055 78 2HB LYS 11 1HB LYS 11 -2.303 -3.759 -12.245 79 1HG LYS 11 2HG LYS 11 -2.953 -4.851 -10.328 80 2HG LYS 11 1HG LYS 11 -2.148 -3.419 -9.682 81 1HD LYS 11 2HD LYS 11 -4.155 -2.397 -9.103 82 2HD LYS 11 1HD LYS 11 -5.095 -3.399 -10.210 83 1HE LYS 11 2HE LYS 11 -4.253 -5.344 -8.665 84 2HE LYS 11 1HE LYS 11 -4.040 -4.041 -7.497 85 H LYS 11 H LYS 11 -2.831 -1.469 -13.720 86 HA LYS 11 HA LYS 11 -2.827 -1.231 -10.797 87 1HZ LYS 11 2HZ LYS 11 -6.576 -4.663 -8.912 88 2HZ LYS 11 1HZ LYS 11 -6.218 -5.102 -7.318 89 3HZ LYS 11 3HZ LYS 11 -6.357 -3.468 -7.735 90 1HB TYR 12 2HB TYR 12 1.335 -3.337 -11.477 91 2HB TYR 12 1HB TYR 12 2.736 -2.933 -10.492 92 H TYR 12 H TYR 12 -0.950 -1.569 -9.630 93 HA TYR 12 HA TYR 12 1.283 -1.322 -9.225 94 HD1 TYR 12 HD1 TYR 12 1.865 -2.893 -7.797 95 HD2 TYR 12 HD2 TYR 12 0.523 -5.418 -10.946 96 HE1 TYR 12 HE1 TYR 12 1.214 -4.590 -6.145 97 HE2 TYR 12 HE2 TYR 12 -0.137 -7.125 -9.304 98 HH TYR 12 HH TYR 12 -0.748 -6.717 -6.371 99 1HB LYS 13 2HB LYS 13 2.061 2.460 -13.682 100 2HB LYS 13 1HB LYS 13 1.572 0.783 -13.481 101 1HG LYS 13 2HG LYS 13 -0.541 1.425 -13.471 102 2HG LYS 13 1HG LYS 13 -0.240 2.341 -11.993 103 1HD LYS 13 2HD LYS 13 -0.633 4.212 -13.124 104 2HD LYS 13 1HD LYS 13 0.802 3.882 -14.098 105 1HE LYS 13 2HE LYS 13 -1.482 2.309 -14.945 106 2HE LYS 13 1HE LYS 13 -1.811 4.040 -15.005 107 H LYS 13 H LYS 13 1.104 0.926 -10.041 108 HA LYS 13 HA LYS 13 3.231 1.534 -11.789 109 1HZ LYS 13 1HZ LYS 13 0.608 3.949 -16.113 110 2HZ LYS 13 3HZ LYS 13 0.009 2.444 -16.603 111 3HZ LYS 13 2HZ LYS 13 -0.829 3.858 -17.002 112 1HB LEU 14 2HB LEU 14 0.784 3.178 -7.414 113 2HB LEU 14 1HB LEU 14 0.853 4.893 -7.077 114 H LEU 14 H LEU 14 1.940 2.244 -9.194 115 HA LEU 14 HA LEU 14 1.469 5.109 -9.597 116 HG LEU 14 HG LEU 14 -0.944 3.586 -9.120 117 1HD1 LEU 14 3HD1 LEU 14 -1.192 3.856 -6.304 118 2HD1 LEU 14 2HD1 LEU 14 -2.354 4.942 -7.071 119 3HD1 LEU 14 1HD1 LEU 14 -2.365 3.222 -7.460 120 1HD2 LEU 14 2HD2 LEU 14 -0.016 6.098 -9.271 121 2HD2 LEU 14 1HD2 LEU 14 -1.635 5.629 -9.788 122 3HD2 LEU 14 3HD2 LEU 14 -1.392 6.353 -8.199 123 H THR 15 H THR 15 2.556 6.655 -8.326 124 HA THR 15 HA THR 15 5.179 5.744 -7.346 125 HB THR 15 HB THR 15 6.023 7.963 -7.768 126 HG1 THR 15 HG1 THR 15 4.473 9.473 -8.842 127 1HG2 THR 15 1HG2 THR 15 4.407 6.838 -10.050 128 2HG2 THR 15 3HG2 THR 15 5.555 8.162 -10.242 129 3HG2 THR 15 2HG2 THR 15 6.117 6.581 -9.702 130 1HB TYR 16 2HB TYR 16 6.815 8.106 -3.553 131 2HB TYR 16 1HB TYR 16 6.482 9.742 -4.111 132 H TYR 16 H TYR 16 5.767 8.193 -5.982 133 HA TYR 16 HA TYR 16 4.375 7.656 -3.508 134 HD1 TYR 16 HD1 TYR 16 5.375 7.477 -1.348 135 HD2 TYR 16 HD2 TYR 16 6.562 11.394 -2.511 136 HE1 TYR 16 HE1 TYR 16 5.180 8.219 0.984 137 HE2 TYR 16 HE2 TYR 16 6.370 12.149 -0.178 138 HH TYR 16 HH TYR 16 6.318 11.318 2.030 139 H ALA 17 H ALA 17 5.032 10.646 -5.329 140 HA ALA 17 HA ALA 17 3.126 12.221 -4.015 141 1HB ALA 17 3HB ALA 17 4.113 12.578 -6.838 142 2HB ALA 17 1HB ALA 17 5.005 13.075 -5.399 143 3HB ALA 17 2HB ALA 17 3.451 13.821 -5.775 144 1HB GLU 18 2HB GLU 18 1.924 8.417 -8.060 145 2HB GLU 18 1HB GLU 18 0.275 8.543 -8.660 146 1HG GLU 18 2HG GLU 18 0.820 10.326 -10.090 147 2HG GLU 18 1HG GLU 18 2.366 10.600 -9.288 148 H GLU 18 H GLU 18 2.855 10.011 -6.704 149 HA GLU 18 HA GLU 18 0.288 10.898 -7.587 150 H ALA 19 H ALA 19 1.314 7.948 -5.886 151 HA ALA 19 HA ALA 19 -1.104 6.872 -5.232 152 1HB ALA 19 1HB ALA 19 0.410 5.457 -4.403 153 2HB ALA 19 2HB ALA 19 0.380 6.451 -2.945 154 3HB ALA 19 3HB ALA 19 1.602 6.740 -4.187 155 1HB LYS 20 2HB LYS 20 1.202 10.669 -1.608 156 2HB LYS 20 1HB LYS 20 0.447 11.949 -2.547 157 1HG LYS 20 2HG LYS 20 -1.038 12.370 -0.548 158 2HG LYS 20 1HG LYS 20 0.027 11.288 0.352 159 1HD LYS 20 2HD LYS 20 1.943 12.749 -0.315 160 2HD LYS 20 1HD LYS 20 0.772 13.875 -1.002 161 1HE LYS 20 2HE LYS 20 0.423 14.777 0.995 162 2HE LYS 20 1HE LYS 20 -0.040 13.207 1.647 163 H LYS 20 H LYS 20 0.627 9.420 -3.495 164 HA LYS 20 HA LYS 20 -1.132 9.683 -1.347 165 1HZ LYS 20 2HZ LYS 20 2.559 12.898 1.676 166 2HZ LYS 20 1HZ LYS 20 2.533 14.587 1.775 167 3HZ LYS 20 3HZ LYS 20 1.745 13.657 2.949 168 H ALA 21 H ALA 21 -1.046 11.309 -4.495 169 HA ALA 21 HA ALA 21 -3.193 13.075 -4.009 170 1HB ALA 21 1HB ALA 21 -2.751 13.825 -6.068 171 2HB ALA 21 3HB ALA 21 -1.397 12.695 -6.054 172 3HB ALA 21 2HB ALA 21 -2.931 12.224 -6.785 173 H VAL 22 H VAL 22 -3.078 9.942 -5.692 174 HA VAL 22 HA VAL 22 -5.735 9.675 -6.379 175 HB VAL 22 HB VAL 22 -3.500 7.828 -5.871 176 1HG1 VAL 22 2HG1 VAL 22 -5.215 6.827 -4.456 177 2HG1 VAL 22 1HG1 VAL 22 -6.340 6.828 -5.815 178 3HG1 VAL 22 3HG1 VAL 22 -4.886 5.828 -5.874 179 1HG2 VAL 22 3HG2 VAL 22 -4.051 8.685 -8.089 180 2HG2 VAL 22 2HG2 VAL 22 -4.201 6.928 -8.024 181 3HG2 VAL 22 1HG2 VAL 22 -5.646 7.940 -7.986 182 1HB CYS 23 2HB CYS 23 -3.754 9.275 -1.180 183 2HB CYS 23 1HB CYS 23 -4.971 9.058 0.071 184 H CYS 23 H CYS 23 -4.154 9.195 -3.303 185 HA CYS 23 HA CYS 23 -6.300 7.932 -1.951 186 1HB GLU 24 2HB GLU 24 -5.481 13.837 -2.112 187 2HB GLU 24 1HB GLU 24 -6.282 14.445 -0.669 188 1HG GLU 24 2HG GLU 24 -4.737 13.449 0.757 189 2HG GLU 24 1HG GLU 24 -4.164 12.339 -0.487 190 H GLU 24 H GLU 24 -5.035 11.232 -1.645 191 HA GLU 24 HA GLU 24 -7.147 12.271 -0.145 192 1HB PHE 25 2HB PHE 25 -7.333 11.974 -5.631 193 2HB PHE 25 1HB PHE 25 -8.418 10.600 -5.681 194 H PHE 25 H PHE 25 -7.210 11.191 -3.302 195 HA PHE 25 HA PHE 25 -9.232 13.051 -4.230 196 HD1 PHE 25 HD1 PHE 25 -8.119 14.166 -6.561 197 HD2 PHE 25 HD2 PHE 25 -10.266 10.535 -7.128 198 HE1 PHE 25 HE1 PHE 25 -9.341 15.186 -8.437 199 HE2 PHE 25 HE2 PHE 25 -11.491 11.549 -9.006 200 HZ PHE 25 HZ PHE 25 -11.029 13.876 -9.663 201 1HB GLU 26 2HB GLU 26 -9.479 7.386 -2.913 202 2HB GLU 26 1HB GLU 26 -11.128 6.821 -3.119 203 1HG GLU 26 2HG GLU 26 -10.945 7.490 -5.535 204 2HG GLU 26 1HG GLU 26 -9.224 7.743 -5.247 205 H GLU 26 H GLU 26 -8.925 9.592 -3.584 206 HA GLU 26 HA GLU 26 -11.733 9.116 -3.932 207 1HA GLY 27 1HA GLY 27 -12.220 10.013 0.391 208 2HA GLY 27 2HA GLY 27 -11.139 11.399 0.440 209 H GLY 27 H GLY 27 -10.142 10.656 -1.562 210 1HA GLY 28 2HA GLY 28 -8.128 8.323 2.042 211 2HA GLY 28 1HA GLY 28 -8.386 9.611 3.214 212 H GLY 28 H GLY 28 -8.756 10.768 0.728 213 1HB HIS 29 2HB HIS 29 -2.896 10.794 3.630 214 2HB HIS 29 1HB HIS 29 -4.339 11.696 3.179 215 H HIS 29 H HIS 29 -5.957 8.552 3.255 216 HA HIS 29 HA HIS 29 -4.194 10.072 1.510 217 HD1 HIS 29 HD1 HIS 29 -6.399 11.498 4.714 218 HD2 HIS 29 HD2 HIS 29 -3.108 9.313 6.003 219 HE1 HIS 29 HE1 HIS 29 -6.927 10.818 7.077 220 HE2 HIS 29 HE2 HIS 29 -4.962 9.418 7.804 221 1HB LEU 30 2HB LEU 30 0.393 9.053 2.312 222 2HB LEU 30 1HB LEU 30 0.969 7.399 2.295 223 H LEU 30 H LEU 30 -1.849 9.527 1.997 224 HA LEU 30 HA LEU 30 -1.485 6.754 1.845 225 HG LEU 30 HG LEU 30 -0.339 8.877 0.013 226 1HD1 LEU 30 3HD1 LEU 30 2.128 9.255 0.669 227 2HD1 LEU 30 2HD1 LEU 30 2.385 7.633 0.026 228 3HD1 LEU 30 1HD1 LEU 30 1.742 8.903 -1.016 229 1HD2 LEU 30 2HD2 LEU 30 -0.510 6.161 0.527 230 2HD2 LEU 30 1HD2 LEU 30 -0.763 6.958 -1.026 231 3HD2 LEU 30 3HD2 LEU 30 0.823 6.304 -0.619 232 H ALA 31 H ALA 31 -1.985 5.429 3.480 233 HA ALA 31 HA ALA 31 -1.990 6.087 6.200 234 1HB ALA 31 2HB ALA 31 -2.139 3.559 4.657 235 2HB ALA 31 1HB ALA 31 -1.791 3.458 6.383 236 3HB ALA 31 3HB ALA 31 -3.269 4.244 5.825 237 H THR 32 H THR 32 -0.685 4.078 7.523 238 HA THR 32 HA THR 32 2.162 4.546 6.942 239 HB THR 32 HB THR 32 2.619 5.398 8.967 240 HG1 THR 32 HG1 THR 32 2.332 4.047 10.561 241 1HG2 THR 32 1HG2 THR 32 -0.377 5.723 8.931 242 2HG2 THR 32 3HG2 THR 32 0.677 6.526 10.095 243 3HG2 THR 32 2HG2 THR 32 0.839 6.873 8.373 244 1HB TYR 33 2HB TYR 33 5.268 1.384 7.911 245 2HB TYR 33 1HB TYR 33 4.917 1.144 9.617 246 H TYR 33 H TYR 33 3.608 2.983 8.021 247 HA TYR 33 HA TYR 33 2.976 0.354 7.450 248 HD1 TYR 33 HD1 TYR 33 5.270 -0.672 6.392 249 HD2 TYR 33 HD2 TYR 33 5.314 -0.924 10.639 250 HE1 TYR 33 HE1 TYR 33 6.109 -2.977 6.241 251 HE2 TYR 33 HE2 TYR 33 6.155 -3.230 10.499 252 HH TYR 33 HH TYR 33 6.974 -4.813 9.140 253 1HB LYS 34 2HB LYS 34 2.184 2.695 12.468 254 2HB LYS 34 1HB LYS 34 1.021 1.839 13.466 255 1HG LYS 34 2HG LYS 34 2.861 0.472 14.383 256 2HG LYS 34 1HG LYS 34 4.003 1.430 13.438 257 1HD LYS 34 2HD LYS 34 2.403 3.277 14.815 258 2HD LYS 34 1HD LYS 34 2.804 2.017 15.983 259 1HE LYS 34 2HE LYS 34 4.831 3.412 14.245 260 2HE LYS 34 1HE LYS 34 4.435 3.909 15.891 261 H LYS 34 H LYS 34 3.075 1.887 10.655 262 HA LYS 34 HA LYS 34 2.226 -0.243 12.190 263 1HZ LYS 34 1HZ LYS 34 5.130 1.719 16.667 264 2HZ LYS 34 3HZ LYS 34 5.542 1.272 15.087 265 3HZ LYS 34 2HZ LYS 34 6.391 2.511 15.865 266 1HB GLN 35 2HB GLN 35 -1.557 2.594 8.730 267 2HB GLN 35 1HB GLN 35 -3.147 2.509 9.465 268 1HG GLN 35 2HG GLN 35 -2.193 3.768 11.422 269 2HG GLN 35 1HG GLN 35 -0.752 4.028 10.442 270 1HE2 GLN 35 1HE2 GLN 35 -3.219 5.635 11.516 271 2HE2 GLN 35 2HE2 GLN 35 -3.610 6.645 10.170 272 H GLN 35 H GLN 35 0.250 2.187 10.518 273 HA GLN 35 HA GLN 35 -2.253 1.243 11.344 274 1HB LEU 36 2HB LEU 36 0.798 -0.639 7.131 275 2HB LEU 36 1HB LEU 36 0.752 -2.388 7.185 276 H LEU 36 H LEU 36 -0.107 0.285 8.741 277 HA LEU 36 HA LEU 36 -1.926 -1.372 7.347 278 HG LEU 36 HG LEU 36 0.631 -1.125 4.896 279 1HD1 LEU 36 2HD1 LEU 36 -0.954 -3.512 5.765 280 2HD1 LEU 36 1HD1 LEU 36 -0.957 -2.976 4.085 281 3HD1 LEU 36 3HD1 LEU 36 0.556 -3.450 4.856 282 1HD2 LEU 36 1HD2 LEU 36 -1.530 0.046 5.968 283 2HD2 LEU 36 3HD2 LEU 36 -1.329 -0.218 4.237 284 3HD2 LEU 36 2HD2 LEU 36 -2.297 -1.340 5.193 285 1HB GLU 37 2HB GLU 37 1.542 -3.205 11.641 286 2HB GLU 37 1HB GLU 37 0.167 -2.611 12.556 287 1HG GLU 37 2HG GLU 37 -0.244 -5.119 13.070 288 2HG GLU 37 1HG GLU 37 1.448 -5.302 12.608 289 H GLU 37 H GLU 37 0.102 -1.828 10.143 290 HA GLU 37 HA GLU 37 0.019 -4.636 10.316 291 H ALA 38 H ALA 38 -1.881 -2.192 12.045 292 HA ALA 38 HA ALA 38 -3.677 -3.872 13.323 293 1HB ALA 38 3HB ALA 38 -3.457 -1.428 13.717 294 2HB ALA 38 1HB ALA 38 -5.128 -1.961 13.543 295 3HB ALA 38 2HB ALA 38 -4.319 -1.145 12.205 296 H ALA 39 H ALA 39 -3.548 -2.796 10.025 297 HA ALA 39 HA ALA 39 -6.186 -3.594 9.280 298 1HB ALA 39 3HB ALA 39 -3.770 -3.250 7.508 299 2HB ALA 39 1HB ALA 39 -4.827 -1.935 8.024 300 3HB ALA 39 2HB ALA 39 -5.462 -3.231 7.009 301 1HB ARG 40 2HB ARG 40 -1.417 -6.677 8.480 302 2HB ARG 40 1HB ARG 40 -1.637 -7.171 10.154 303 1HG ARG 40 2HG ARG 40 -2.339 -9.379 8.548 304 2HG ARG 40 1HG ARG 40 -0.826 -8.730 7.913 305 1HD ARG 40 2HD ARG 40 0.095 -10.020 9.512 306 2HD ARG 40 1HD ARG 40 -0.301 -8.652 10.551 307 1HH1 ARG 40 1HH1 ARG 40 -0.542 -11.622 8.867 308 2HH1 ARG 40 2HH1 ARG 40 -1.279 -13.134 9.278 309 1HH2 ARG 40 2HH2 ARG 40 -3.001 -11.874 12.046 310 2HH2 ARG 40 1HH2 ARG 40 -2.678 -13.277 11.085 311 H ARG 40 H ARG 40 -3.096 -5.145 9.541 312 HA ARG 40 HA ARG 40 -3.747 -7.471 8.010 313 HE ARG 40 HE ARG 40 -2.027 -9.886 11.496 314 1HB LYS 41 2HB LYS 41 -5.550 -6.232 13.140 315 2HB LYS 41 1HB LYS 41 -5.946 -7.602 14.167 316 1HG LYS 41 2HG LYS 41 -3.468 -7.908 14.515 317 2HG LYS 41 1HG LYS 41 -3.254 -6.347 13.719 318 1HD LYS 41 2HD LYS 41 -3.850 -5.231 15.556 319 2HD LYS 41 1HD LYS 41 -5.285 -6.236 15.783 320 1HE LYS 41 2HE LYS 41 -4.212 -7.697 17.175 321 2HE LYS 41 1HE LYS 41 -2.636 -7.413 16.435 322 H LYS 41 H LYS 41 -3.976 -6.544 11.383 323 HA LYS 41 HA LYS 41 -4.392 -8.959 12.623 324 1HZ LYS 41 1HZ LYS 41 -3.978 -5.312 18.017 325 2HZ LYS 41 3HZ LYS 41 -3.046 -6.508 18.768 326 3HZ LYS 41 2HZ LYS 41 -2.336 -5.467 17.640 327 1HG1 ILE 42 2HG1 ILE 42 -8.547 -5.511 8.789 328 2HG1 ILE 42 1HG1 ILE 42 -7.797 -7.063 8.428 329 H ILE 42 H ILE 42 -6.642 -7.079 10.682 330 HA ILE 42 HA ILE 42 -8.856 -8.849 11.272 331 HB ILE 42 HB ILE 42 -10.214 -7.435 9.974 332 1HG2 ILE 42 2HG2 ILE 42 -9.436 -6.430 12.069 333 2HG2 ILE 42 1HG2 ILE 42 -8.103 -5.668 11.203 334 3HG2 ILE 42 3HG2 ILE 42 -9.766 -5.209 10.840 335 1HD1 ILE 42 2HD1 ILE 42 -10.682 -7.032 8.011 336 2HD1 ILE 42 1HD1 ILE 42 -9.793 -5.899 6.991 337 3HD1 ILE 42 3HD1 ILE 42 -9.386 -7.616 6.969 338 1HA GLY 43 1HA GLY 43 -7.611 -10.704 7.347 339 2HA GLY 43 2HA GLY 43 -5.881 -10.483 7.569 340 H GLY 43 H GLY 43 -6.424 -8.434 8.819 341 1HB PHE 44 2HB PHE 44 -5.634 -5.575 6.257 342 2HB PHE 44 1HB PHE 44 -4.148 -6.060 5.449 343 H PHE 44 H PHE 44 -5.537 -7.839 6.965 344 HA PHE 44 HA PHE 44 -6.835 -7.078 4.547 345 HD1 PHE 44 HD1 PHE 44 -6.798 -5.976 3.131 346 HD2 PHE 44 HD2 PHE 44 -4.085 -3.461 5.240 347 HE1 PHE 44 HE1 PHE 44 -7.136 -4.209 1.454 348 HE2 PHE 44 HE2 PHE 44 -4.420 -1.692 3.566 349 HZ PHE 44 HZ PHE 44 -5.948 -2.063 1.671 350 1HB HIS 45 2HB HIS 45 -5.820 -11.425 2.772 351 2HB HIS 45 1HB HIS 45 -6.628 -10.723 1.376 352 H HIS 45 H HIS 45 -6.605 -8.985 3.259 353 HA HIS 45 HA HIS 45 -3.951 -9.795 2.430 354 HD1 HIS 45 HD1 HIS 45 -6.447 -13.225 0.432 355 HD2 HIS 45 HD2 HIS 45 -2.865 -11.152 0.788 356 HE1 HIS 45 HE1 HIS 45 -4.788 -14.492 -0.966 357 HE2 HIS 45 HE2 HIS 45 -2.662 -13.156 -0.825 358 H VAL 46 H VAL 46 -2.881 -8.711 0.938 359 HA VAL 46 HA VAL 46 -4.052 -8.101 -1.603 360 HB VAL 46 HB VAL 46 -4.839 -6.075 -0.927 361 1HG1 VAL 46 3HG1 VAL 46 -3.322 -6.624 1.395 362 2HG1 VAL 46 2HG1 VAL 46 -2.928 -4.984 0.882 363 3HG1 VAL 46 1HG1 VAL 46 -4.607 -5.434 1.183 364 1HG2 VAL 46 2HG2 VAL 46 -2.959 -5.712 -2.551 365 2HG2 VAL 46 1HG2 VAL 46 -3.374 -4.312 -1.561 366 3HG2 VAL 46 3HG2 VAL 46 -1.947 -5.275 -1.174 367 1HB CYS 47 2HB CYS 47 -0.014 -9.486 -4.843 368 2HB CYS 47 1HB CYS 47 0.393 -10.501 -3.464 369 H CYS 47 H CYS 47 -2.500 -8.761 -2.926 370 HA CYS 47 HA CYS 47 0.269 -8.740 -2.102 371 H ALA 48 H ALA 48 -1.639 -6.392 -3.283 372 HA ALA 48 HA ALA 48 0.335 -5.304 -5.146 373 1HB ALA 48 1HB ALA 48 -2.277 -5.345 -5.474 374 2HB ALA 48 2HB ALA 48 -1.303 -3.986 -6.041 375 3HB ALA 48 3HB ALA 48 -2.191 -3.862 -4.521 376 H ALA 49 H ALA 49 1.977 -4.587 -3.876 377 HA ALA 49 HA ALA 49 1.966 -3.421 -1.429 378 1HB ALA 49 3HB ALA 49 4.120 -3.500 -1.987 379 2HB ALA 49 2HB ALA 49 3.751 -3.423 -3.711 380 3HB ALA 49 1HB ALA 49 3.877 -1.937 -2.768 381 1HA GLY 50 2HA GLY 50 -0.347 0.196 -0.734 382 2HA GLY 50 1HA GLY 50 0.297 0.535 -2.332 383 H GLY 50 H GLY 50 1.356 -1.546 -0.524 384 1HB TRP 51 2HB TRP 51 1.738 4.719 -2.491 385 2HB TRP 51 1HB TRP 51 3.146 5.393 -1.674 386 H TRP 51 H TRP 51 1.363 2.387 -2.401 387 HA TRP 51 HA TRP 51 3.612 2.987 -0.889 388 HD1 TRP 51 HD1 TRP 51 2.144 3.342 -4.698 389 HE1 TRP 51 HE1 TRP 51 4.223 2.939 -6.174 390 HE3 TRP 51 HE3 TRP 51 5.747 5.112 -1.530 391 HZ2 TRP 51 HZ2 TRP 51 7.015 3.333 -6.014 392 HZ3 TRP 51 HZ3 TRP 51 8.094 5.064 -2.267 393 HH2 TRP 51 HH2 TRP 51 8.713 4.193 -4.462 394 1HB MET 52 2HB MET 52 2.699 4.318 4.479 395 2HB MET 52 1HB MET 52 1.753 3.303 3.399 396 1HG MET 52 2HG MET 52 3.802 2.373 2.465 397 2HG MET 52 1HG MET 52 4.757 3.399 3.532 398 H MET 52 H MET 52 4.014 4.239 0.903 399 HA MET 52 HA MET 52 1.756 5.396 2.349 400 1HE MET 52 1HE MET 52 3.856 0.116 2.855 401 2HE MET 52 3HE MET 52 5.408 0.240 3.682 402 3HE MET 52 2HE MET 52 4.112 -0.731 4.382 403 H ALA 53 H ALA 53 2.970 6.084 4.677 404 HA ALA 53 HA ALA 53 4.333 8.407 4.088 405 1HB ALA 53 2HB ALA 53 5.078 8.358 6.478 406 2HB ALA 53 3HB ALA 53 4.378 6.744 6.597 407 3HB ALA 53 1HB ALA 53 3.346 8.129 6.237 408 1HB LYS 54 2HB LYS 54 8.113 6.330 5.364 409 2HB LYS 54 1HB LYS 54 9.670 6.417 4.554 410 1HG LYS 54 2HG LYS 54 10.189 8.451 5.865 411 2HG LYS 54 1HG LYS 54 8.671 8.232 6.736 412 1HD LYS 54 2HD LYS 54 9.678 6.837 8.138 413 2HD LYS 54 1HD LYS 54 10.061 5.762 6.791 414 1HE LYS 54 2HE LYS 54 12.120 6.959 6.373 415 2HE LYS 54 1HE LYS 54 11.724 8.135 7.626 416 H LYS 54 H LYS 54 6.518 9.051 4.285 417 HA LYS 54 HA LYS 54 8.771 8.893 4.023 418 1HZ LYS 54 1HZ LYS 54 12.212 5.240 8.074 419 2HZ LYS 54 3HZ LYS 54 13.304 6.486 8.415 420 3HZ LYS 54 2HZ LYS 54 11.850 6.376 9.273 421 1HA GLY 55 1HA GLY 55 8.330 6.860 0.059 422 2HA GLY 55 2HA GLY 55 6.606 6.509 0.072 423 H GLY 55 H GLY 55 6.561 6.971 2.362 424 1HB ARG 56 2HB ARG 56 8.062 3.145 3.856 425 2HB ARG 56 1HB ARG 56 6.532 2.309 3.627 426 1HG ARG 56 2HG ARG 56 7.669 0.254 3.119 427 2HG ARG 56 1HG ARG 56 9.235 1.068 3.164 428 1HD ARG 56 2HD ARG 56 7.423 1.130 5.545 429 2HD ARG 56 1HD ARG 56 8.437 -0.278 5.233 430 1HH1 ARG 56 2HH1 ARG 56 8.300 0.070 7.408 431 2HH1 ARG 56 1HH1 ARG 56 9.345 0.475 8.728 432 1HH2 ARG 56 2HH2 ARG 56 11.392 2.590 6.839 433 2HH2 ARG 56 1HH2 ARG 56 11.102 1.909 8.405 434 H ARG 56 H ARG 56 6.826 4.671 2.339 435 HA ARG 56 HA ARG 56 8.535 2.526 1.394 436 HE ARG 56 HE ARG 56 10.009 2.050 5.107 437 H VAL 57 H VAL 57 7.777 0.460 0.763 438 HA VAL 57 HA VAL 57 4.941 0.336 0.000 439 HB VAL 57 HB VAL 57 5.332 0.098 -2.186 440 1HG1 VAL 57 2HG1 VAL 57 8.100 0.964 -1.369 441 2HG1 VAL 57 1HG1 VAL 57 7.506 0.963 -3.030 442 3HG1 VAL 57 3HG1 VAL 57 6.745 1.998 -1.823 443 1HG2 VAL 57 3HG2 VAL 57 7.565 -1.742 -1.373 444 2HG2 VAL 57 2HG2 VAL 57 6.010 -2.153 -2.096 445 3HG2 VAL 57 1HG2 VAL 57 7.243 -1.338 -3.059 446 1HA GLY 58 2HA GLY 58 4.873 -3.509 1.974 447 2HA GLY 58 1HA GLY 58 5.412 -4.092 0.406 448 H GLY 58 H GLY 58 3.977 -1.644 0.143 449 1HB TYR 59 2HB TYR 59 1.079 -7.327 -0.974 450 2HB TYR 59 1HB TYR 59 1.526 -5.720 -1.544 451 H TYR 59 H TYR 59 3.972 -5.920 1.011 452 HA TYR 59 HA TYR 59 1.127 -5.334 0.708 453 HD1 TYR 59 HD1 TYR 59 3.944 -5.183 -1.931 454 HD2 TYR 59 HD2 TYR 59 2.616 -9.145 -1.089 455 HE1 TYR 59 HE1 TYR 59 6.054 -6.075 -2.820 456 HE2 TYR 59 HE2 TYR 59 4.720 -10.041 -1.987 457 HH TYR 59 HH TYR 59 6.856 -9.482 -2.582 458 1HB PRO 60 2HB PRO 60 -0.790 -7.922 5.106 459 2HB PRO 60 1HB PRO 60 0.702 -7.083 5.531 460 1HG PRO 60 2HG PRO 60 -1.493 -6.237 3.697 461 2HG PRO 60 1HG PRO 60 -0.554 -5.269 4.845 462 1HD PRO 60 1HD PRO 60 -0.068 -5.235 2.189 463 2HD PRO 60 2HD PRO 60 1.220 -5.034 3.391 464 HA PRO 60 HA PRO 60 1.659 -8.476 3.991 465 1HG1 ILE 61 1HG1 ILE 61 1.090 -10.080 0.818 466 2HG1 ILE 61 2HG1 ILE 61 2.398 -11.253 0.709 467 H ILE 61 H ILE 61 1.377 -10.447 3.125 468 HA ILE 61 HA ILE 61 -1.233 -11.080 1.924 469 HB ILE 61 HB ILE 61 1.097 -12.889 1.542 470 1HG2 ILE 61 3HG2 ILE 61 -1.400 -12.984 0.646 471 2HG2 ILE 61 2HG2 ILE 61 -0.704 -11.973 -0.621 472 3HG2 ILE 61 1HG2 ILE 61 -0.039 -13.576 -0.307 473 1HD1 ILE 61 3HD1 ILE 61 0.190 -11.002 -1.315 474 2HD1 ILE 61 2HD1 ILE 61 1.751 -10.189 -1.446 475 3HD1 ILE 61 1HD1 ILE 61 1.673 -11.952 -1.450 476 H VAL 62 H VAL 62 -2.538 -12.420 2.949 477 HA VAL 62 HA VAL 62 -1.470 -14.016 5.171 478 HB VAL 62 HB VAL 62 -4.391 -13.540 4.643 479 1HG1 VAL 62 2HG1 VAL 62 -2.727 -14.548 6.888 480 2HG1 VAL 62 1HG1 VAL 62 -4.195 -13.653 7.280 481 3HG1 VAL 62 3HG1 VAL 62 -4.289 -15.112 6.293 482 1HG2 VAL 62 3HG2 VAL 62 -2.488 -11.740 6.136 483 2HG2 VAL 62 2HG2 VAL 62 -3.434 -11.338 4.703 484 3HG2 VAL 62 1HG2 VAL 62 -4.246 -11.640 6.240 485 1HB LYS 63 2HB LYS 63 -5.221 -15.475 1.792 486 2HB LYS 63 1HB LYS 63 -4.656 -15.830 0.167 487 1HG LYS 63 2HG LYS 63 -6.322 -17.417 0.614 488 2HG LYS 63 1HG LYS 63 -4.795 -18.280 0.807 489 1HD LYS 63 2HD LYS 63 -4.937 -18.170 3.179 490 2HD LYS 63 1HD LYS 63 -6.285 -17.035 3.108 491 1HE LYS 63 2HE LYS 63 -7.699 -18.741 3.172 492 2HE LYS 63 1HE LYS 63 -7.053 -19.312 1.636 493 H LYS 63 H LYS 63 -2.944 -14.217 2.058 494 HA LYS 63 HA LYS 63 -3.160 -17.142 2.352 495 1HZ LYS 63 3HZ LYS 63 -5.839 -19.979 4.257 496 2HZ LYS 63 2HZ LYS 63 -6.986 -20.957 3.489 497 3HZ LYS 63 1HZ LYS 63 -5.490 -20.671 2.754 498 1HB PRO 64 2HB PRO 64 0.975 -19.292 -0.429 499 2HB PRO 64 1HB PRO 64 1.609 -18.034 0.633 500 1HG PRO 64 2HG PRO 64 -0.584 -19.998 1.113 501 2HG PRO 64 1HG PRO 64 0.654 -19.400 2.231 502 1HD PRO 64 2HD PRO 64 -1.890 -18.513 2.301 503 2HD PRO 64 1HD PRO 64 -0.512 -17.458 2.683 504 HA PRO 64 HA PRO 64 0.301 -16.618 -0.575 505 1HA GLY 65 2HA GLY 65 -1.824 -17.914 -4.123 506 2HA GLY 65 1HA GLY 65 -0.710 -19.271 -4.049 507 H GLY 65 H GLY 65 0.479 -17.103 -2.730 508 1HB PRO 66 2HB PRO 66 -1.064 -17.673 -9.197 509 2HB PRO 66 1HB PRO 66 0.398 -18.609 -9.522 510 1HG PRO 66 2HG PRO 66 -1.836 -19.803 -8.678 511 2HG PRO 66 1HG PRO 66 -0.241 -20.342 -8.121 512 1HD PRO 66 2HD PRO 66 -2.296 -18.702 -6.698 513 2HD PRO 66 1HD PRO 66 -1.211 -19.955 -6.060 514 HA PRO 66 HA PRO 66 1.440 -17.882 -7.612 515 1HB ASN 67 2HB ASN 67 0.633 -14.386 -10.161 516 2HB ASN 67 1HB ASN 67 -0.427 -13.439 -9.120 517 1HD2 ASN 67 1HD2 ASN 67 2.175 -13.372 -11.375 518 2HD2 ASN 67 2HD2 ASN 67 2.269 -11.655 -11.543 519 H ASN 67 H ASN 67 2.248 -15.943 -8.101 520 HA ASN 67 HA ASN 67 2.458 -13.696 -8.376 521 1HB CYS 68 2HB CYS 68 -1.324 -13.233 -5.344 522 2HB CYS 68 1HB CYS 68 -1.090 -14.526 -4.173 523 H CYS 68 H CYS 68 1.570 -14.779 -5.811 524 HA CYS 68 HA CYS 68 0.911 -12.299 -4.541 525 1HA GLY 69 2HA GLY 69 2.556 -14.507 -1.175 526 2HA GLY 69 1HA GLY 69 3.779 -13.256 -1.358 527 H GLY 69 H GLY 69 2.846 -12.691 -3.439 528 1HB PHE 70 2HB PHE 70 7.786 -14.363 -1.456 529 2HB PHE 70 1HB PHE 70 8.497 -15.970 -1.372 530 H PHE 70 H PHE 70 5.690 -14.248 -1.234 531 HA PHE 70 HA PHE 70 6.425 -16.140 -3.272 532 HD1 PHE 70 HD1 PHE 70 7.730 -13.150 -3.611 533 HD2 PHE 70 HD2 PHE 70 9.802 -16.838 -3.146 534 HE1 PHE 70 HE1 PHE 70 8.992 -12.696 -5.673 535 HE2 PHE 70 HE2 PHE 70 11.069 -16.390 -5.207 536 HZ PHE 70 HZ PHE 70 10.664 -14.317 -6.474 537 1HA GLY 71 1HA GLY 71 6.033 -19.137 0.116 538 2HA GLY 71 2HA GLY 71 4.294 -18.965 -0.091 539 H GLY 71 H GLY 71 4.810 -16.508 -0.452 540 1HB LYS 72 2HB LYS 72 7.089 -15.313 2.976 541 2HB LYS 72 1HB LYS 72 6.368 -14.914 4.530 542 1HG LYS 72 2HG LYS 72 8.162 -15.999 5.333 543 2HG LYS 72 1HG LYS 72 7.176 -17.430 5.027 544 1HD LYS 72 2HD LYS 72 8.224 -17.585 2.770 545 2HD LYS 72 1HD LYS 72 9.300 -16.265 3.232 546 1HE LYS 72 2HE LYS 72 9.082 -18.746 4.899 547 2HE LYS 72 1HE LYS 72 10.142 -18.684 3.492 548 H LYS 72 H LYS 72 5.822 -16.318 1.416 549 HA LYS 72 HA LYS 72 5.286 -17.365 4.100 550 1HZ LYS 72 1HZ LYS 72 10.467 -16.409 5.189 551 2HZ LYS 72 3HZ LYS 72 10.764 -17.855 6.016 552 3HZ LYS 72 2HZ LYS 72 11.629 -17.492 4.608 553 H THR 73 H THR 73 4.168 -16.011 5.655 554 HA THR 73 HA THR 73 2.098 -14.354 4.369 555 HB THR 73 HB THR 73 0.605 -14.929 6.196 556 HG1 THR 73 HG1 THR 73 1.316 -16.460 7.777 557 1HG2 THR 73 1HG2 THR 73 0.745 -16.446 4.240 558 2HG2 THR 73 3HG2 THR 73 1.916 -17.428 5.121 559 3HG2 THR 73 2HG2 THR 73 0.264 -17.278 5.720 560 1HA GLY 74 2HA GLY 74 3.734 -11.308 7.065 561 2HA GLY 74 1HA GLY 74 2.033 -10.860 7.073 562 H GLY 74 H GLY 74 2.049 -12.262 4.863 563 1HG1 ILE 75 1HG1 ILE 75 1.952 -5.452 5.570 564 2HG1 ILE 75 2HG1 ILE 75 1.808 -6.411 7.039 565 H ILE 75 H ILE 75 3.255 -8.695 7.079 566 HA ILE 75 HA ILE 75 2.800 -7.396 4.658 567 HB ILE 75 HB ILE 75 4.229 -6.647 7.165 568 1HG2 ILE 75 2HG2 ILE 75 4.498 -5.233 4.536 569 2HG2 ILE 75 1HG2 ILE 75 4.594 -4.353 6.062 570 3HG2 ILE 75 3HG2 ILE 75 5.748 -5.639 5.713 571 1HD1 ILE 75 1HD1 ILE 75 3.081 -4.620 8.226 572 2HD1 ILE 75 3HD1 ILE 75 2.948 -3.649 6.760 573 3HD1 ILE 75 2HD1 ILE 75 1.493 -4.141 7.627 574 1HG1 ILE 76 2HG1 ILE 76 3.900 -9.437 2.226 575 2HG1 ILE 76 1HG1 ILE 76 3.738 -9.791 0.510 576 H ILE 76 H ILE 76 3.850 -7.585 2.807 577 HA ILE 76 HA ILE 76 6.647 -8.435 2.798 578 HB ILE 76 HB ILE 76 5.075 -7.965 0.300 579 1HG2 ILE 76 2HG2 ILE 76 7.507 -8.558 0.314 580 2HG2 ILE 76 1HG2 ILE 76 7.053 -10.122 0.992 581 3HG2 ILE 76 3HG2 ILE 76 6.473 -9.654 -0.606 582 1HD1 ILE 76 3HD1 ILE 76 6.049 -11.030 1.823 583 2HD1 ILE 76 2HD1 ILE 76 4.467 -11.592 2.364 584 3HD1 ILE 76 1HD1 ILE 76 4.903 -11.692 0.657 585 1HB ASP 77 2HB ASP 77 6.566 -3.200 3.024 586 2HB ASP 77 1HB ASP 77 7.273 -4.138 4.335 587 H ASP 77 H ASP 77 7.610 -6.481 3.476 588 HA ASP 77 HA ASP 77 7.647 -4.402 1.393 589 1HB TYR 78 2HB TYR 78 11.088 -5.226 -0.859 590 2HB TYR 78 1HB TYR 78 12.513 -4.204 -0.699 591 H TYR 78 H TYR 78 9.570 -4.420 0.456 592 HA TYR 78 HA TYR 78 11.896 -5.448 1.828 593 HD1 TYR 78 HD1 TYR 78 14.621 -5.236 0.285 594 HD2 TYR 78 HD2 TYR 78 11.298 -7.559 -1.003 595 HE1 TYR 78 HE1 TYR 78 16.066 -7.221 0.155 596 HE2 TYR 78 HE2 TYR 78 12.734 -9.551 -1.136 597 HH TYR 78 HH TYR 78 14.980 -10.284 0.047 598 1HA GLY 79 2HA GLY 79 12.889 -1.345 3.096 599 2HA GLY 79 1HA GLY 79 11.241 -0.804 3.402 600 H GLY 79 H GLY 79 10.474 -2.743 2.397 601 1HG1 ILE 80 1HG1 ILE 80 11.427 2.832 3.069 602 2HG1 ILE 80 2HG1 ILE 80 12.307 4.328 3.356 603 H ILE 80 H ILE 80 12.238 1.297 2.771 604 HA ILE 80 HA ILE 80 11.345 2.189 0.333 605 HB ILE 80 HB ILE 80 13.698 3.371 1.800 606 1HG2 ILE 80 2HG2 ILE 80 11.625 4.611 -0.006 607 2HG2 ILE 80 1HG2 ILE 80 12.890 5.488 0.852 608 3HG2 ILE 80 3HG2 ILE 80 13.318 4.324 -0.402 609 1HD1 ILE 80 1HD1 ILE 80 10.828 5.481 1.779 610 2HD1 ILE 80 3HD1 ILE 80 9.929 3.982 1.547 611 3HD1 ILE 80 2HD1 ILE 80 9.947 4.765 3.128 612 1HB ARG 81 2HB ARG 81 12.838 2.149 -4.360 613 2HB ARG 81 1HB ARG 81 13.835 0.704 -4.473 614 1HG ARG 81 2HG ARG 81 11.532 0.752 -2.580 615 2HG ARG 81 1HG ARG 81 11.245 0.509 -4.304 616 1HD ARG 81 2HD ARG 81 13.234 -1.124 -2.748 617 2HD ARG 81 1HD ARG 81 11.536 -1.578 -2.883 618 1HH1 ARG 81 2HH1 ARG 81 11.974 -3.435 -2.986 619 2HH1 ARG 81 1HH1 ARG 81 12.101 -4.785 -4.063 620 1HH2 ARG 81 2HH2 ARG 81 13.054 -2.860 -6.824 621 2HH2 ARG 81 1HH2 ARG 81 12.717 -4.458 -6.246 622 H ARG 81 H ARG 81 12.191 2.448 -1.692 623 HA ARG 81 HA ARG 81 14.604 0.907 -2.276 624 HE ARG 81 HE ARG 81 12.881 -1.091 -5.396 625 1HB LEU 82 2HB LEU 82 17.238 3.691 -2.415 626 2HB LEU 82 1HB LEU 82 17.542 5.231 -3.192 627 H LEU 82 H LEU 82 14.358 3.781 -1.183 628 HA LEU 82 HA LEU 82 15.493 5.743 -1.360 629 HG LEU 82 HG LEU 82 19.023 4.913 -1.288 630 1HD1 LEU 82 2HD1 LEU 82 17.596 7.160 -1.856 631 2HD1 LEU 82 1HD1 LEU 82 17.270 6.955 -0.135 632 3HD1 LEU 82 3HD1 LEU 82 18.933 7.076 -0.708 633 1HD2 LEU 82 3HD2 LEU 82 16.730 3.814 -0.079 634 2HD2 LEU 82 2HD2 LEU 82 18.354 3.954 0.594 635 3HD2 LEU 82 1HD2 LEU 82 17.174 5.236 0.865 636 1HB ASN 83 2HB ASN 83 15.137 5.111 -6.112 637 2HB ASN 83 1HB ASN 83 13.589 4.878 -6.921 638 1HD2 ASN 83 2HD2 ASN 83 16.503 6.351 -7.148 639 2HD2 ASN 83 1HD2 ASN 83 16.102 7.629 -8.239 640 H ASN 83 H ASN 83 13.510 4.788 -3.523 641 HA ASN 83 HA ASN 83 13.652 7.176 -5.091 642 1HB ARG 84 2HB ARG 84 9.112 8.822 -5.293 643 2HB ARG 84 1HB ARG 84 8.051 7.766 -4.371 644 1HG ARG 84 2HG ARG 84 10.792 8.647 -3.492 645 2HG ARG 84 1HG ARG 84 9.273 9.379 -2.973 646 1HD ARG 84 2HD ARG 84 8.591 7.100 -2.143 647 2HD ARG 84 1HD ARG 84 10.248 6.580 -2.446 648 1HH1 ARG 84 1HH1 ARG 84 12.045 7.655 -2.353 649 2HH1 ARG 84 2HH1 ARG 84 13.203 8.219 -1.195 650 1HH2 ARG 84 2HH2 ARG 84 10.836 8.856 1.296 651 2HH2 ARG 84 1HH2 ARG 84 12.516 8.901 0.878 652 H ARG 84 H ARG 84 11.596 7.773 -4.934 653 HA ARG 84 HA ARG 84 9.449 5.899 -4.683 654 HE ARG 84 HE ARG 84 9.317 8.110 -0.236 655 1HB SER 85 2HB SER 85 11.985 6.528 -9.146 656 2HB SER 85 1HB SER 85 11.374 5.462 -10.411 657 H SER 85 H SER 85 11.106 5.967 -7.205 658 HA SER 85 HA SER 85 9.133 6.732 -9.208 659 HG SER 85 HG SER 85 10.001 7.521 -10.838 660 1HB GLU 86 2HB GLU 86 8.074 1.705 -6.449 661 2HB GLU 86 1HB GLU 86 9.171 0.635 -7.309 662 1HG GLU 86 2HG GLU 86 10.071 3.257 -6.169 663 2HG GLU 86 1HG GLU 86 10.051 1.770 -5.221 664 H GLU 86 H GLU 86 9.408 4.173 -7.290 665 HA GLU 86 HA GLU 86 9.301 1.999 -9.139 666 1HB ARG 87 2HB ARG 87 4.338 0.780 -11.397 667 2HB ARG 87 1HB ARG 87 6.064 1.035 -11.603 668 1HG ARG 87 2HG ARG 87 6.056 -1.269 -10.182 669 2HG ARG 87 1HG ARG 87 4.568 -1.435 -11.115 670 1HD ARG 87 2HD ARG 87 5.949 -0.810 -13.151 671 2HD ARG 87 1HD ARG 87 7.370 -1.046 -12.135 672 1HH1 ARG 87 1HH1 ARG 87 8.392 -1.814 -13.521 673 2HH1 ARG 87 2HH1 ARG 87 9.008 -3.302 -14.159 674 1HH2 ARG 87 2HH2 ARG 87 6.309 -5.229 -13.054 675 2HH2 ARG 87 1HH2 ARG 87 7.823 -5.244 -13.894 676 H ARG 87 H ARG 87 7.402 0.532 -9.278 677 HA ARG 87 HA ARG 87 4.938 2.106 -9.562 678 HE ARG 87 HE ARG 87 5.507 -3.264 -12.217 679 1HB TRP 88 2HB TRP 88 3.816 1.079 -5.444 680 2HB TRP 88 1HB TRP 88 2.797 -0.240 -4.883 681 H TRP 88 H TRP 88 3.360 1.682 -8.184 682 HA TRP 88 HA TRP 88 2.795 -1.027 -7.339 683 HD1 TRP 88 HD1 TRP 88 6.252 0.603 -4.983 684 HE1 TRP 88 HE1 TRP 88 7.775 -1.471 -4.957 685 HE3 TRP 88 HE3 TRP 88 2.794 -2.944 -6.223 686 HZ2 TRP 88 HZ2 TRP 88 7.533 -4.253 -5.398 687 HZ3 TRP 88 HZ3 TRP 88 3.518 -5.288 -6.401 688 HH2 TRP 88 HH2 TRP 88 5.840 -5.928 -5.999 689 1HB ASP 89 2HB ASP 89 -0.845 -0.844 -4.343 690 2HB ASP 89 1HB ASP 89 -2.249 0.213 -4.468 691 H ASP 89 H ASP 89 1.358 0.071 -4.971 692 HA ASP 89 HA ASP 89 -0.883 1.361 -6.380 693 H ALA 90 H ALA 90 -2.064 1.280 -3.476 694 HA ALA 90 HA ALA 90 -0.463 3.117 -2.002 695 1HB ALA 90 2HB ALA 90 -1.078 4.771 -3.542 696 2HB ALA 90 3HB ALA 90 -2.155 5.010 -2.163 697 3HB ALA 90 1HB ALA 90 -2.748 4.204 -3.616 698 1HB TYR 91 2HB TYR 91 -0.751 1.785 2.084 699 2HB TYR 91 1HB TYR 91 -2.160 1.444 3.082 700 H TYR 91 H TYR 91 -0.894 2.680 0.036 701 HA TYR 91 HA TYR 91 -3.399 1.400 0.752 702 HD1 TYR 91 HD1 TYR 91 -3.677 -0.513 1.724 703 HD2 TYR 91 HD2 TYR 91 0.554 -0.094 1.831 704 HE1 TYR 91 HE1 TYR 91 -3.436 -2.913 1.257 705 HE2 TYR 91 HE2 TYR 91 0.809 -2.494 1.362 706 HH TYR 91 HH TYR 91 -1.518 -4.702 1.746 707 1HB CYS 92 2HB CYS 92 -6.824 4.450 0.602 708 2HB CYS 92 1HB CYS 92 -6.758 6.116 1.156 709 H CYS 92 H CYS 92 -4.600 3.418 0.260 710 HA CYS 92 HA CYS 92 -4.336 5.796 1.653 711 1HB TYR 93 2HB TYR 93 -4.693 4.825 5.752 712 2HB TYR 93 1HB TYR 93 -4.880 6.540 6.107 713 H TYR 93 H TYR 93 -6.004 6.639 3.236 714 HA TYR 93 HA TYR 93 -7.127 4.781 5.106 715 HD1 TYR 93 HD1 TYR 93 -7.352 6.776 7.526 716 HD2 TYR 93 HD2 TYR 93 -4.480 3.643 7.724 717 HE1 TYR 93 HE1 TYR 93 -8.124 6.224 9.794 718 HE2 TYR 93 HE2 TYR 93 -5.243 3.081 9.994 719 HH TYR 93 HH TYR 93 -7.890 3.689 11.249 720 1HB ASN 94 2HB ASN 94 -9.169 8.829 4.391 721 2HB ASN 94 1HB ASN 94 -10.479 7.664 4.215 722 1HD2 ASN 94 1HD2 ASN 94 -11.217 9.856 3.220 723 2HD2 ASN 94 2HD2 ASN 94 -12.184 10.829 4.270 724 H ASN 94 H ASN 94 -8.894 5.677 5.931 725 HA ASN 94 HA ASN 94 -9.046 8.380 6.781 726 1HB PRO 95 2HB PRO 95 -12.733 8.055 10.805 727 2HB PRO 95 1HB PRO 95 -11.276 7.070 10.969 728 1HG PRO 95 2HG PRO 95 -11.597 9.805 9.794 729 2HG PRO 95 1HG PRO 95 -10.324 9.189 10.864 730 1HD PRO 95 2HD PRO 95 -9.978 9.447 8.195 731 2HD PRO 95 1HD PRO 95 -9.196 8.161 9.138 732 HA PRO 95 HA PRO 95 -12.092 6.051 9.079 733 1HB HIS 96 2HB HIS 96 -14.484 10.704 7.567 734 2HB HIS 96 1HB HIS 96 -13.721 10.598 5.982 735 H HIS 96 H HIS 96 -12.533 8.445 6.863 736 HA HIS 96 HA HIS 96 -15.451 8.468 7.263 737 HD1 HIS 96 HD1 HIS 96 -17.160 10.791 7.549 738 HD2 HIS 96 HD2 HIS 96 -15.287 11.396 3.890 739 HE1 HIS 96 HE1 HIS 96 -18.906 11.827 6.063 740 HE2 HIS 96 HE2 HIS 96 -17.772 12.110 3.831 741 H ALA 97 H ALA 97 -12.961 7.327 5.393 742 HA ALA 97 HA ALA 97 -14.228 7.495 2.812 743 1HB ALA 97 1HB ALA 97 -12.129 5.484 3.125 744 2HB ALA 97 3HB ALA 97 -12.249 6.835 1.998 745 3HB ALA 97 2HB ALA 97 -11.650 7.103 3.635 746 1HB LYS 98 2HB LYS 98 -17.923 5.610 5.358 747 2HB LYS 98 1HB LYS 98 -18.541 3.995 5.036 748 1HG LYS 98 2HG LYS 98 -15.997 3.912 6.412 749 2HG LYS 98 1HG LYS 98 -17.204 4.837 7.307 750 1HD LYS 98 2HD LYS 98 -17.947 2.869 8.059 751 2HD LYS 98 1HD LYS 98 -18.613 2.631 6.442 752 1HE LYS 98 2HE LYS 98 -17.375 0.692 6.831 753 2HE LYS 98 1HE LYS 98 -16.309 1.686 5.839 754 H LYS 98 H LYS 98 -16.161 6.481 4.263 755 HA LYS 98 HA LYS 98 -16.076 3.571 4.191 756 1HZ LYS 98 2HZ LYS 98 -15.815 2.332 8.502 757 2HZ LYS 98 1HZ LYS 98 -15.842 0.644 8.407 758 3HZ LYS 98 3HZ LYS 98 -14.790 1.530 7.421 No H/Q in entry = 758 Start of MODEL 15 1 1HA GLY 1 2HA GLY 1 -10.050 1.392 8.054 2 2HA GLY 1 1HA GLY 1 -8.724 2.162 8.911 3 H1 GLY 1 2H GLY 1 -9.793 4.312 7.920 4 H2 GLY 1 1H GLY 1 -11.183 3.350 7.849 5 H3 GLY 1 3H GLY 1 -10.409 3.613 9.332 6 H VAL 2 H VAL 2 -7.047 1.478 7.665 7 HA VAL 2 HA VAL 2 -6.567 2.869 5.226 8 HB VAL 2 HB VAL 2 -4.615 2.464 6.414 9 1HG1 VAL 2 3HG1 VAL 2 -5.995 0.258 7.430 10 2HG1 VAL 2 2HG1 VAL 2 -4.542 -0.400 6.680 11 3HG1 VAL 2 1HG1 VAL 2 -4.407 0.847 7.922 12 1HG2 VAL 2 1HG2 VAL 2 -4.779 1.503 3.898 13 2HG2 VAL 2 3HG2 VAL 2 -3.284 1.570 4.830 14 3HG2 VAL 2 2HG2 VAL 2 -4.207 0.069 4.751 15 1HB TYR 3 2HB TYR 3 -9.111 0.292 0.874 16 2HB TYR 3 1HB TYR 3 -9.613 0.551 2.537 17 H TYR 3 H TYR 3 -6.810 2.238 3.161 18 HA TYR 3 HA TYR 3 -7.521 -0.562 2.642 19 HD1 TYR 3 HD1 TYR 3 -8.283 2.952 3.372 20 HD2 TYR 3 HD2 TYR 3 -9.904 2.000 -0.443 21 HE1 TYR 3 HE1 TYR 3 -8.593 5.351 2.910 22 HE2 TYR 3 HE2 TYR 3 -10.211 4.392 -0.920 23 HH TYR 3 HH TYR 3 -8.734 6.779 0.623 24 1HB HIS 4 2HB HIS 4 -4.452 -2.054 -1.452 25 2HB HIS 4 1HB HIS 4 -5.883 -2.565 -0.568 26 H HIS 4 H HIS 4 -7.409 -1.062 0.252 27 HA HIS 4 HA HIS 4 -4.897 0.030 -0.768 28 HD1 HIS 4 HD1 HIS 4 -8.178 -2.463 -2.085 29 HD2 HIS 4 HD2 HIS 4 -4.546 -2.630 -4.097 30 HE1 HIS 4 HE1 HIS 4 -8.736 -3.220 -4.417 31 HE2 HIS 4 HE2 HIS 4 -6.517 -3.366 -5.602 32 1HB ARG 5 2HB ARG 5 -5.771 3.352 -3.056 33 2HB ARG 5 1HB ARG 5 -6.260 3.653 -4.716 34 1HG ARG 5 2HG ARG 5 -8.029 2.714 -2.469 35 2HG ARG 5 1HG ARG 5 -8.014 4.318 -3.205 36 1HD ARG 5 2HD ARG 5 -8.442 2.945 -5.407 37 2HD ARG 5 1HD ARG 5 -9.055 1.741 -4.277 38 1HH1 ARG 5 2HH1 ARG 5 -10.354 1.285 -3.218 39 2HH1 ARG 5 1HH1 ARG 5 -12.012 1.465 -2.749 40 1HH2 ARG 5 1HH2 ARG 5 -12.357 4.658 -4.130 41 2HH2 ARG 5 2HH2 ARG 5 -13.150 3.383 -3.268 42 H ARG 5 H ARG 5 -4.677 0.855 -2.842 43 HA ARG 5 HA ARG 5 -7.034 1.098 -4.529 44 HE ARG 5 HE ARG 5 -10.172 4.410 -4.744 45 1HB GLU 6 2HB GLU 6 -4.467 0.193 -9.457 46 2HB GLU 6 1HB GLU 6 -5.533 -0.482 -8.235 47 1HG GLU 6 2HG GLU 6 -6.138 1.678 -10.229 48 2HG GLU 6 1HG GLU 6 -6.884 0.086 -10.082 49 H GLU 6 H GLU 6 -6.567 1.490 -6.695 50 HA GLU 6 HA GLU 6 -3.747 1.107 -7.399 51 H ALA 7 H ALA 7 -3.685 1.984 -9.962 52 HA ALA 7 HA ALA 7 -3.295 4.767 -9.641 53 1HB ALA 7 1HB ALA 7 -3.490 3.608 -12.368 54 2HB ALA 7 2HB ALA 7 -2.230 2.999 -11.297 55 3HB ALA 7 3HB ALA 7 -2.298 4.717 -11.690 56 1HB ARG 8 2HB ARG 8 -5.044 7.283 -13.588 57 2HB ARG 8 1HB ARG 8 -6.682 7.916 -13.491 58 1HG ARG 8 2HG ARG 8 -6.145 9.321 -11.683 59 2HG ARG 8 1HG ARG 8 -4.615 8.493 -11.393 60 1HD ARG 8 2HD ARG 8 -3.988 9.256 -13.766 61 2HD ARG 8 1HD ARG 8 -5.346 10.370 -13.617 62 1HH1 ARG 8 1HH1 ARG 8 -3.358 11.011 -14.794 63 2HH1 ARG 8 2HH1 ARG 8 -2.170 12.266 -14.662 64 1HH2 ARG 8 2HH2 ARG 8 -2.257 12.387 -11.170 65 2HH2 ARG 8 1HH2 ARG 8 -1.544 13.047 -12.604 66 H ARG 8 H ARG 8 -4.147 6.112 -11.745 67 HA ARG 8 HA ARG 8 -6.769 6.820 -11.165 68 HE ARG 8 HE ARG 8 -3.821 10.734 -11.352 69 1HB SER 9 2HB SER 9 -7.335 5.162 -15.635 70 2HB SER 9 1HB SER 9 -7.360 3.567 -16.386 71 H SER 9 H SER 9 -5.510 4.470 -13.438 72 HA SER 9 HA SER 9 -8.082 3.220 -13.664 73 HG SER 9 HG SER 9 -9.483 4.176 -14.707 74 1HA GLY 10 2HA GLY 10 -4.156 0.802 -14.443 75 2HA GLY 10 1HA GLY 10 -5.511 -0.226 -14.005 76 H GLY 10 H GLY 10 -5.844 2.154 -12.618 77 1HB LYS 11 2HB LYS 11 -4.587 -2.876 -10.920 78 2HB LYS 11 1HB LYS 11 -3.115 -3.642 -11.500 79 1HG LYS 11 2HG LYS 11 -2.130 -3.075 -9.213 80 2HG LYS 11 1HG LYS 11 -3.795 -2.762 -8.717 81 1HD LYS 11 2HD LYS 11 -3.427 -5.289 -10.147 82 2HD LYS 11 1HD LYS 11 -2.552 -5.194 -8.618 83 1HE LYS 11 2HE LYS 11 -4.452 -5.717 -7.592 84 2HE LYS 11 1HE LYS 11 -5.068 -4.136 -8.071 85 H LYS 11 H LYS 11 -3.753 -1.593 -13.171 86 HA LYS 11 HA LYS 11 -3.114 -0.842 -10.401 87 1HZ LYS 11 2HZ LYS 11 -5.248 -6.085 -10.165 88 2HZ LYS 11 1HZ LYS 11 -6.122 -6.532 -8.788 89 3HZ LYS 11 3HZ LYS 11 -6.437 -5.053 -9.546 90 1HB TYR 12 2HB TYR 12 0.394 -3.674 -11.565 91 2HB TYR 12 1HB TYR 12 2.096 -3.234 -11.475 92 H TYR 12 H TYR 12 -1.085 -1.720 -9.519 93 HA TYR 12 HA TYR 12 1.198 -1.630 -9.550 94 HD1 TYR 12 HD1 TYR 12 0.865 -2.755 -8.271 95 HD2 TYR 12 HD2 TYR 12 1.874 -5.882 -10.975 96 HE1 TYR 12 HE1 TYR 12 1.166 -4.293 -6.373 97 HE2 TYR 12 HE2 TYR 12 2.176 -7.426 -9.087 98 HH TYR 12 HH TYR 12 1.617 -7.706 -6.829 99 1HB LYS 13 2HB LYS 13 1.411 2.293 -13.994 100 2HB LYS 13 1HB LYS 13 1.246 0.548 -13.878 101 1HG LYS 13 2HG LYS 13 -0.924 0.656 -13.299 102 2HG LYS 13 1HG LYS 13 -0.699 2.104 -12.316 103 1HD LYS 13 2HD LYS 13 -1.766 3.171 -13.973 104 2HD LYS 13 1HD LYS 13 -0.234 3.048 -14.841 105 1HE LYS 13 2HE LYS 13 -1.564 0.593 -15.202 106 2HE LYS 13 1HE LYS 13 -2.766 1.857 -15.457 107 H LYS 13 H LYS 13 0.884 0.675 -10.302 108 HA LYS 13 HA LYS 13 2.821 1.328 -12.206 109 1HZ LYS 13 2HZ LYS 13 -0.687 2.823 -16.828 110 2HZ LYS 13 1HZ LYS 13 -0.447 1.163 -17.045 111 3HZ LYS 13 3HZ LYS 13 -1.908 1.877 -17.514 112 1HB LEU 14 2HB LEU 14 0.477 2.906 -7.879 113 2HB LEU 14 1HB LEU 14 0.754 4.552 -7.346 114 H LEU 14 H LEU 14 1.827 2.045 -9.563 115 HA LEU 14 HA LEU 14 1.191 4.890 -9.965 116 HG LEU 14 HG LEU 14 -1.311 3.608 -9.330 117 1HD1 LEU 14 1HD1 LEU 14 -1.307 3.953 -6.506 118 2HD1 LEU 14 3HD1 LEU 14 -2.365 5.169 -7.223 119 3HD1 LEU 14 2HD1 LEU 14 -2.634 3.459 -7.559 120 1HD2 LEU 14 1HD2 LEU 14 -0.059 5.922 -9.663 121 2HD2 LEU 14 3HD2 LEU 14 -1.793 5.746 -9.932 122 3HD2 LEU 14 2HD2 LEU 14 -1.201 6.427 -8.417 123 H THR 15 H THR 15 2.296 6.466 -8.763 124 HA THR 15 HA THR 15 4.958 5.615 -7.845 125 HB THR 15 HB THR 15 5.770 7.810 -8.339 126 HG1 THR 15 HG1 THR 15 4.342 9.344 -7.981 127 1HG2 THR 15 3HG2 THR 15 4.078 6.545 -10.454 128 2HG2 THR 15 2HG2 THR 15 4.898 8.069 -10.790 129 3HG2 THR 15 1HG2 THR 15 5.834 6.646 -10.335 130 1HB TYR 16 2HB TYR 16 6.634 7.869 -4.011 131 2HB TYR 16 1HB TYR 16 6.399 9.493 -4.648 132 H TYR 16 H TYR 16 5.564 8.047 -6.493 133 HA TYR 16 HA TYR 16 4.201 7.519 -3.995 134 HD1 TYR 16 HD1 TYR 16 5.146 7.430 -1.789 135 HD2 TYR 16 HD2 TYR 16 6.571 11.211 -3.125 136 HE1 TYR 16 HE1 TYR 16 4.984 8.293 0.503 137 HE2 TYR 16 HE2 TYR 16 6.409 12.087 -0.833 138 HH TYR 16 HH TYR 16 6.420 11.157 1.500 139 H ALA 17 H ALA 17 4.916 10.489 -5.828 140 HA ALA 17 HA ALA 17 3.128 12.148 -4.471 141 1HB ALA 17 3HB ALA 17 4.956 12.903 -5.976 142 2HB ALA 17 2HB ALA 17 3.969 12.407 -7.353 143 3HB ALA 17 1HB ALA 17 3.410 13.696 -6.285 144 1HB GLU 18 2HB GLU 18 1.568 8.323 -8.414 145 2HB GLU 18 1HB GLU 18 -0.090 8.550 -8.954 146 1HG GLU 18 2HG GLU 18 0.492 10.299 -10.386 147 2HG GLU 18 1HG GLU 18 2.048 10.546 -9.598 148 H GLU 18 H GLU 18 2.638 9.897 -7.093 149 HA GLU 18 HA GLU 18 0.037 10.849 -7.819 150 H ALA 19 H ALA 19 1.209 8.004 -6.042 151 HA ALA 19 HA ALA 19 -1.224 6.907 -5.318 152 1HB ALA 19 2HB ALA 19 0.289 5.444 -4.582 153 2HB ALA 19 3HB ALA 19 0.410 6.443 -3.134 154 3HB ALA 19 1HB ALA 19 1.538 6.686 -4.470 155 1HB LYS 20 2HB LYS 20 1.358 10.776 -2.055 156 2HB LYS 20 1HB LYS 20 0.427 12.056 -2.814 157 1HG LYS 20 2HG LYS 20 -0.591 12.643 -0.732 158 2HG LYS 20 1HG LYS 20 0.119 11.237 0.065 159 1HD LYS 20 2HD LYS 20 2.228 12.163 0.118 160 2HD LYS 20 1HD LYS 20 1.911 13.222 -1.258 161 1HE LYS 20 2HE LYS 20 1.591 14.858 0.215 162 2HE LYS 20 1HE LYS 20 0.090 14.046 0.655 163 H LYS 20 H LYS 20 0.616 9.486 -3.771 164 HA LYS 20 HA LYS 20 -0.933 9.748 -1.461 165 1HZ LYS 20 3HZ LYS 20 2.272 12.835 1.981 166 2HZ LYS 20 2HZ LYS 20 2.286 14.501 2.272 167 3HZ LYS 20 1HZ LYS 20 0.911 13.589 2.645 168 H ALA 21 H ALA 21 -1.056 11.490 -4.550 169 HA ALA 21 HA ALA 21 -3.214 13.167 -3.936 170 1HB ALA 21 2HB ALA 21 -3.537 13.005 -6.547 171 2HB ALA 21 3HB ALA 21 -1.975 12.190 -6.460 172 3HB ALA 21 1HB ALA 21 -2.148 13.836 -5.849 173 H VAL 22 H VAL 22 -3.141 9.960 -5.440 174 HA VAL 22 HA VAL 22 -5.826 9.643 -6.027 175 HB VAL 22 HB VAL 22 -3.560 7.835 -5.486 176 1HG1 VAL 22 3HG1 VAL 22 -5.227 6.896 -3.983 177 2HG1 VAL 22 2HG1 VAL 22 -6.397 6.841 -5.301 178 3HG1 VAL 22 1HG1 VAL 22 -4.949 5.834 -5.363 179 1HG2 VAL 22 1HG2 VAL 22 -4.157 8.571 -7.732 180 2HG2 VAL 22 3HG2 VAL 22 -4.317 6.821 -7.573 181 3HG2 VAL 22 2HG2 VAL 22 -5.755 7.843 -7.554 182 1HB CYS 23 2HB CYS 23 -3.618 9.450 -0.870 183 2HB CYS 23 1HB CYS 23 -4.784 9.240 0.429 184 H CYS 23 H CYS 23 -4.109 9.307 -2.995 185 HA CYS 23 HA CYS 23 -6.241 8.166 -1.502 186 1HB GLU 24 2HB GLU 24 -4.563 13.521 -1.438 187 2HB GLU 24 1HB GLU 24 -5.884 14.673 -1.297 188 1HG GLU 24 2HG GLU 24 -5.698 14.706 1.079 189 2HG GLU 24 1HG GLU 24 -4.548 13.370 1.060 190 H GLU 24 H GLU 24 -4.796 11.403 -1.322 191 HA GLU 24 HA GLU 24 -6.791 12.578 0.227 192 1HB PHE 25 2HB PHE 25 -7.491 12.061 -5.420 193 2HB PHE 25 1HB PHE 25 -8.248 10.562 -4.894 194 H PHE 25 H PHE 25 -7.059 11.394 -2.873 195 HA PHE 25 HA PHE 25 -8.943 13.330 -3.883 196 HD1 PHE 25 HD1 PHE 25 -8.833 13.738 -6.676 197 HD2 PHE 25 HD2 PHE 25 -10.306 9.843 -5.794 198 HE1 PHE 25 HE1 PHE 25 -10.551 13.998 -8.419 199 HE2 PHE 25 HE2 PHE 25 -12.026 10.096 -7.536 200 HZ PHE 25 HZ PHE 25 -12.150 12.174 -8.850 201 1HB GLU 26 2HB GLU 26 -9.734 8.231 -1.578 202 2HB GLU 26 1HB GLU 26 -11.358 7.970 -0.961 203 1HG GLU 26 2HG GLU 26 -11.535 8.406 -3.759 204 2HG GLU 26 1HG GLU 26 -10.270 7.215 -3.460 205 H GLU 26 H GLU 26 -9.000 10.263 -2.213 206 HA GLU 26 HA GLU 26 -11.902 10.096 -2.435 207 1HA GLY 27 1HA GLY 27 -11.745 11.854 1.646 208 2HA GLY 27 2HA GLY 27 -10.504 13.049 1.293 209 H GLY 27 H GLY 27 -9.833 11.754 -0.569 210 1HA GLY 28 2HA GLY 28 -7.958 8.972 2.729 211 2HA GLY 28 1HA GLY 28 -8.021 10.363 3.806 212 H GLY 28 H GLY 28 -8.608 10.653 0.927 213 1HB HIS 29 2HB HIS 29 -2.568 10.380 4.262 214 2HB HIS 29 1HB HIS 29 -3.180 11.742 3.332 215 H HIS 29 H HIS 29 -5.723 8.921 3.651 216 HA HIS 29 HA HIS 29 -3.929 10.288 1.807 217 HD1 HIS 29 HD1 HIS 29 -3.977 13.200 5.201 218 HD2 HIS 29 HD2 HIS 29 -5.454 9.327 5.467 219 HE1 HIS 29 HE1 HIS 29 -5.662 13.249 7.060 220 HE2 HIS 29 HE2 HIS 29 -6.618 10.921 7.136 221 1HB LEU 30 2HB LEU 30 0.578 8.598 2.190 222 2HB LEU 30 1HB LEU 30 0.855 6.891 1.922 223 H LEU 30 H LEU 30 -1.640 9.421 2.059 224 HA LEU 30 HA LEU 30 -1.667 6.630 1.780 225 HG LEU 30 HG LEU 30 -0.396 8.850 0.001 226 1HD1 LEU 30 3HD1 LEU 30 2.125 8.755 0.305 227 2HD1 LEU 30 2HD1 LEU 30 2.041 7.136 -0.388 228 3HD1 LEU 30 1HD1 LEU 30 1.513 8.528 -1.334 229 1HD2 LEU 30 3HD2 LEU 30 -0.891 6.070 0.240 230 2HD2 LEU 30 2HD2 LEU 30 -1.430 7.179 -1.021 231 3HD2 LEU 30 1HD2 LEU 30 0.103 6.325 -1.195 232 H ALA 31 H ALA 31 -2.000 5.205 3.357 233 HA ALA 31 HA ALA 31 -1.814 5.738 6.097 234 1HB ALA 31 3HB ALA 31 -2.103 3.274 4.467 235 2HB ALA 31 2HB ALA 31 -1.678 3.109 6.171 236 3HB ALA 31 1HB ALA 31 -3.163 3.943 5.709 237 H THR 32 H THR 32 -0.483 3.615 7.221 238 HA THR 32 HA THR 32 2.332 3.985 6.462 239 HB THR 32 HB THR 32 3.030 4.687 8.515 240 HG1 THR 32 HG1 THR 32 1.361 4.280 10.379 241 1HG2 THR 32 2HG2 THR 32 0.824 6.029 7.579 242 2HG2 THR 32 1HG2 THR 32 0.408 5.733 9.267 243 3HG2 THR 32 3HG2 THR 32 1.894 6.591 8.863 244 1HB TYR 33 2HB TYR 33 5.200 1.145 8.541 245 2HB TYR 33 1HB TYR 33 4.617 0.470 10.039 246 H TYR 33 H TYR 33 3.577 2.530 8.347 247 HA TYR 33 HA TYR 33 3.050 -0.159 7.607 248 HD1 TYR 33 HD1 TYR 33 5.870 -0.396 6.675 249 HD2 TYR 33 HD2 TYR 33 4.862 -1.836 10.549 250 HE1 TYR 33 HE1 TYR 33 6.958 -2.539 6.155 251 HE2 TYR 33 HE2 TYR 33 5.948 -3.983 10.040 252 HH TYR 33 HH TYR 33 6.935 -4.837 6.870 253 1HB LYS 34 2HB LYS 34 2.600 2.157 12.590 254 2HB LYS 34 1HB LYS 34 0.995 1.849 13.234 255 1HG LYS 34 2HG LYS 34 2.320 -0.158 14.405 256 2HG LYS 34 1HG LYS 34 3.637 1.005 14.235 257 1HD LYS 34 2HD LYS 34 1.905 2.687 15.220 258 2HD LYS 34 1HD LYS 34 1.103 1.227 15.802 259 1HE LYS 34 2HE LYS 34 3.886 1.011 16.356 260 2HE LYS 34 1HE LYS 34 3.325 2.585 16.922 261 H LYS 34 H LYS 34 3.260 1.245 10.799 262 HA LYS 34 HA LYS 34 2.055 -0.636 12.330 263 1HZ LYS 34 2HZ LYS 34 1.526 0.459 17.592 264 2HZ LYS 34 1HZ LYS 34 3.065 0.230 18.253 265 3HZ LYS 34 3HZ LYS 34 2.204 1.650 18.582 266 1HB GLN 35 2HB GLN 35 -1.480 2.378 8.590 267 2HB GLN 35 1HB GLN 35 -2.947 2.649 9.515 268 1HG GLN 35 2HG GLN 35 -1.489 3.774 11.245 269 2HG GLN 35 1HG GLN 35 -0.198 3.719 10.048 270 1HE2 GLN 35 1HE2 GLN 35 -2.257 5.758 11.350 271 2HE2 GLN 35 2HE2 GLN 35 -2.619 6.781 10.007 272 H GLN 35 H GLN 35 0.380 1.935 10.535 273 HA GLN 35 HA GLN 35 -2.233 1.229 11.269 274 1HB LEU 36 2HB LEU 36 0.849 -0.984 7.236 275 2HB LEU 36 1HB LEU 36 0.552 -2.707 7.140 276 H LEU 36 H LEU 36 -0.088 0.099 8.724 277 HA LEU 36 HA LEU 36 -1.979 -1.444 7.298 278 HG LEU 36 HG LEU 36 0.721 -1.792 4.912 279 1HD1 LEU 36 1HD1 LEU 36 -1.534 -3.199 5.900 280 2HD1 LEU 36 3HD1 LEU 36 -2.085 -2.100 4.636 281 3HD1 LEU 36 2HD1 LEU 36 -0.809 -3.270 4.295 282 1HD2 LEU 36 2HD2 LEU 36 -0.673 0.401 6.053 283 2HD2 LEU 36 1HD2 LEU 36 0.047 0.266 4.449 284 3HD2 LEU 36 3HD2 LEU 36 -1.629 -0.222 4.708 285 1HB GLU 37 2HB GLU 37 1.180 -3.448 11.746 286 2HB GLU 37 1HB GLU 37 -0.190 -2.757 12.597 287 1HG GLU 37 2HG GLU 37 -0.782 -5.228 13.113 288 2HG GLU 37 1HG GLU 37 0.914 -5.522 12.730 289 H GLU 37 H GLU 37 -0.110 -1.996 10.178 290 HA GLU 37 HA GLU 37 -0.376 -4.795 10.371 291 H ALA 38 H ALA 38 -2.184 -2.212 11.993 292 HA ALA 38 HA ALA 38 -4.132 -3.735 13.226 293 1HB ALA 38 1HB ALA 38 -3.789 -1.287 13.536 294 2HB ALA 38 2HB ALA 38 -5.479 -1.743 13.321 295 3HB ALA 38 3HB ALA 38 -4.583 -1.022 11.985 296 H ALA 39 H ALA 39 -3.809 -2.765 9.902 297 HA ALA 39 HA ALA 39 -6.446 -3.476 9.069 298 1HB ALA 39 3HB ALA 39 -3.952 -3.278 7.387 299 2HB ALA 39 1HB ALA 39 -4.968 -1.906 7.831 300 3HB ALA 39 2HB ALA 39 -5.622 -3.199 6.824 301 1HB ARG 40 2HB ARG 40 -1.786 -6.794 8.474 302 2HB ARG 40 1HB ARG 40 -2.058 -7.183 10.166 303 1HG ARG 40 2HG ARG 40 -2.781 -9.388 8.445 304 2HG ARG 40 1HG ARG 40 -1.109 -8.884 8.195 305 1HD ARG 40 2HD ARG 40 -2.168 -9.251 10.966 306 2HD ARG 40 1HD ARG 40 -1.668 -10.651 10.020 307 1HH1 ARG 40 1HH1 ARG 40 -1.577 -9.198 12.570 308 2HH1 ARG 40 2HH1 ARG 40 -0.298 -8.838 13.681 309 1HH2 ARG 40 1HH2 ARG 40 2.215 -8.878 11.250 310 2HH2 ARG 40 2HH2 ARG 40 1.858 -8.656 12.930 311 H ARG 40 H ARG 40 -3.426 -5.144 9.478 312 HA ARG 40 HA ARG 40 -4.133 -7.480 7.988 313 HE ARG 40 HE ARG 40 0.524 -9.354 9.796 314 1HB LYS 41 2HB LYS 41 -6.327 -6.213 13.169 315 2HB LYS 41 1HB LYS 41 -6.099 -7.548 14.290 316 1HG LYS 41 2HG LYS 41 -3.563 -7.143 13.781 317 2HG LYS 41 1HG LYS 41 -4.135 -5.542 13.304 318 1HD LYS 41 2HD LYS 41 -4.087 -4.963 15.451 319 2HD LYS 41 1HD LYS 41 -5.411 -6.097 15.728 320 1HE LYS 41 2HE LYS 41 -3.337 -7.804 15.734 321 2HE LYS 41 1HE LYS 41 -2.531 -6.353 16.328 322 H LYS 41 H LYS 41 -4.397 -6.463 11.335 323 HA LYS 41 HA LYS 41 -4.956 -8.843 12.598 324 1HZ LYS 41 3HZ LYS 41 -4.817 -6.415 17.771 325 2HZ LYS 41 2HZ LYS 41 -4.435 -8.057 17.643 326 3HZ LYS 41 1HZ LYS 41 -3.313 -6.978 18.305 327 1HG1 ILE 42 2HG1 ILE 42 -8.824 -5.247 8.593 328 2HG1 ILE 42 1HG1 ILE 42 -8.139 -6.844 8.309 329 H ILE 42 H ILE 42 -7.039 -6.889 10.562 330 HA ILE 42 HA ILE 42 -9.381 -8.483 11.168 331 HB ILE 42 HB ILE 42 -10.618 -7.026 9.799 332 1HG2 ILE 42 1HG2 ILE 42 -9.304 -6.089 11.908 333 2HG2 ILE 42 3HG2 ILE 42 -8.619 -5.023 10.681 334 3HG2 ILE 42 2HG2 ILE 42 -10.364 -5.072 10.932 335 1HD1 ILE 42 1HD1 ILE 42 -11.014 -6.649 7.803 336 2HD1 ILE 42 3HD1 ILE 42 -10.003 -5.662 6.748 337 3HD1 ILE 42 2HD1 ILE 42 -9.736 -7.402 6.850 338 1HA GLY 43 1HA GLY 43 -8.210 -10.538 7.322 339 2HA GLY 43 2HA GLY 43 -6.476 -10.476 7.607 340 H GLY 43 H GLY 43 -6.868 -8.346 8.780 341 1HB PHE 44 2HB PHE 44 -6.190 -5.554 6.143 342 2HB PHE 44 1HB PHE 44 -4.558 -5.960 5.623 343 H PHE 44 H PHE 44 -5.903 -7.863 6.975 344 HA PHE 44 HA PHE 44 -6.983 -7.239 4.371 345 HD1 PHE 44 HD1 PHE 44 -7.067 -6.075 3.053 346 HD2 PHE 44 HD2 PHE 44 -4.355 -3.525 5.111 347 HE1 PHE 44 HE1 PHE 44 -7.236 -4.431 1.229 348 HE2 PHE 44 HE2 PHE 44 -4.519 -1.876 3.293 349 HZ PHE 44 HZ PHE 44 -5.963 -2.327 1.350 350 1HB HIS 45 2HB HIS 45 -4.840 -11.566 3.241 351 2HB HIS 45 1HB HIS 45 -6.000 -11.187 1.974 352 H HIS 45 H HIS 45 -6.420 -9.106 3.175 353 HA HIS 45 HA HIS 45 -3.560 -9.577 2.745 354 HD1 HIS 45 HD1 HIS 45 -5.655 -13.193 0.501 355 HD2 HIS 45 HD2 HIS 45 -2.102 -11.240 1.403 356 HE1 HIS 45 HE1 HIS 45 -3.907 -14.268 -0.951 357 HE2 HIS 45 HE2 HIS 45 -1.790 -12.994 -0.468 358 H VAL 46 H VAL 46 -2.618 -8.564 1.116 359 HA VAL 46 HA VAL 46 -3.812 -8.533 -1.503 360 HB VAL 46 HB VAL 46 -4.810 -6.533 -1.248 361 1HG1 VAL 46 2HG1 VAL 46 -4.446 -6.614 1.207 362 2HG1 VAL 46 1HG1 VAL 46 -2.915 -5.773 0.968 363 3HG1 VAL 46 3HG1 VAL 46 -4.433 -4.980 0.544 364 1HG2 VAL 46 3HG2 VAL 46 -2.838 -6.065 -2.686 365 2HG2 VAL 46 2HG2 VAL 46 -3.457 -4.644 -1.845 366 3HG2 VAL 46 1HG2 VAL 46 -1.999 -5.448 -1.263 367 1HB CYS 47 2HB CYS 47 0.148 -9.477 -4.832 368 2HB CYS 47 1HB CYS 47 0.884 -10.378 -3.509 369 H CYS 47 H CYS 47 -2.226 -8.975 -2.871 370 HA CYS 47 HA CYS 47 0.533 -8.708 -2.063 371 H ALA 48 H ALA 48 -1.614 -6.584 -3.325 372 HA ALA 48 HA ALA 48 0.175 -5.319 -5.234 373 1HB ALA 48 1HB ALA 48 -2.487 -5.491 -5.232 374 2HB ALA 48 2HB ALA 48 -1.620 -4.154 -5.986 375 3HB ALA 48 3HB ALA 48 -2.311 -3.960 -4.376 376 H ALA 49 H ALA 49 1.887 -4.776 -3.826 377 HA ALA 49 HA ALA 49 1.937 -3.548 -1.439 378 1HB ALA 49 2HB ALA 49 4.082 -3.628 -2.019 379 2HB ALA 49 1HB ALA 49 3.688 -3.603 -3.737 380 3HB ALA 49 3HB ALA 49 3.833 -2.089 -2.844 381 1HA GLY 50 2HA GLY 50 -0.323 0.104 -0.684 382 2HA GLY 50 1HA GLY 50 0.209 0.384 -2.336 383 H GLY 50 H GLY 50 1.308 -1.680 -0.537 384 1HB TRP 51 2HB TRP 51 1.589 4.586 -2.696 385 2HB TRP 51 1HB TRP 51 3.010 5.310 -1.948 386 H TRP 51 H TRP 51 1.129 2.326 -2.444 387 HA TRP 51 HA TRP 51 3.537 2.916 -1.127 388 HD1 TRP 51 HD1 TRP 51 1.945 3.141 -4.865 389 HE1 TRP 51 HE1 TRP 51 3.975 2.727 -6.398 390 HE3 TRP 51 HE3 TRP 51 5.624 5.090 -1.891 391 HZ2 TRP 51 HZ2 TRP 51 6.761 3.176 -6.356 392 HZ3 TRP 51 HZ3 TRP 51 7.944 5.060 -2.714 393 HH2 TRP 51 HH2 TRP 51 8.498 4.123 -4.899 394 1HB MET 52 2HB MET 52 2.471 3.910 4.317 395 2HB MET 52 1HB MET 52 1.328 3.298 3.131 396 1HG MET 52 2HG MET 52 2.537 1.477 2.784 397 2HG MET 52 1HG MET 52 4.010 2.415 2.551 398 H MET 52 H MET 52 3.960 3.670 0.831 399 HA MET 52 HA MET 52 2.009 5.335 2.220 400 1HE MET 52 1HE MET 52 4.655 -0.175 3.575 401 2HE MET 52 3HE MET 52 4.539 -0.529 5.299 402 3HE MET 52 2HE MET 52 3.088 -0.546 4.296 403 H ALA 53 H ALA 53 3.060 5.846 4.531 404 HA ALA 53 HA ALA 53 4.630 7.215 5.491 405 1HB ALA 53 2HB ALA 53 6.814 5.440 4.593 406 2HB ALA 53 3HB ALA 53 5.499 4.688 5.498 407 3HB ALA 53 1HB ALA 53 6.412 6.020 6.209 408 1HB LYS 54 2HB LYS 54 9.269 8.285 4.591 409 2HB LYS 54 1HB LYS 54 9.856 8.734 2.997 410 1HG LYS 54 2HG LYS 54 8.911 11.094 3.683 411 2HG LYS 54 1HG LYS 54 9.139 10.453 5.310 412 1HD LYS 54 2HD LYS 54 11.351 10.212 3.318 413 2HD LYS 54 1HD LYS 54 11.069 11.760 4.119 414 1HE LYS 54 2HE LYS 54 11.040 9.519 5.970 415 2HE LYS 54 1HE LYS 54 12.568 9.661 5.102 416 H LYS 54 H LYS 54 7.299 7.671 4.925 417 HA LYS 54 HA LYS 54 7.252 9.792 3.194 418 1HZ LYS 54 1HZ LYS 54 12.375 12.134 5.760 419 2HZ LYS 54 3HZ LYS 54 11.296 11.577 6.939 420 3HZ LYS 54 2HZ LYS 54 12.891 11.014 6.918 421 1HA GLY 55 1HA GLY 55 8.168 6.915 -0.313 422 2HA GLY 55 2HA GLY 55 6.460 6.525 -0.155 423 H GLY 55 H GLY 55 7.120 6.503 2.389 424 1HB ARG 56 2HB ARG 56 7.967 3.452 3.685 425 2HB ARG 56 1HB ARG 56 6.867 2.097 3.473 426 1HG ARG 56 2HG ARG 56 8.852 0.718 2.795 427 2HG ARG 56 1HG ARG 56 9.868 2.070 3.299 428 1HD ARG 56 2HD ARG 56 8.081 1.642 5.408 429 2HD ARG 56 1HD ARG 56 8.601 0.038 4.897 430 1HH1 ARG 56 1HH1 ARG 56 9.587 -1.175 5.443 431 2HH1 ARG 56 2HH1 ARG 56 11.000 -1.735 6.274 432 1HH2 ARG 56 1HH2 ARG 56 12.300 1.466 6.820 433 2HH2 ARG 56 2HH2 ARG 56 12.543 -0.233 7.058 434 H ARG 56 H ARG 56 6.932 4.783 2.174 435 HA ARG 56 HA ARG 56 8.610 2.647 1.161 436 HE ARG 56 HE ARG 56 10.437 2.192 5.725 437 H VAL 57 H VAL 57 7.931 0.812 0.192 438 HA VAL 57 HA VAL 57 5.029 0.522 -0.228 439 HB VAL 57 HB VAL 57 5.334 0.003 -2.402 440 1HG1 VAL 57 1HG1 VAL 57 7.203 1.916 -1.548 441 2HG1 VAL 57 3HG1 VAL 57 8.033 0.910 -2.735 442 3HG1 VAL 57 2HG1 VAL 57 6.523 1.716 -3.163 443 1HG2 VAL 57 2HG2 VAL 57 7.794 -1.449 -1.490 444 2HG2 VAL 57 1HG2 VAL 57 6.326 -2.100 -2.222 445 3HG2 VAL 57 3HG2 VAL 57 7.472 -1.185 -3.203 446 1HA GLY 58 2HA GLY 58 4.965 -3.215 1.937 447 2HA GLY 58 1HA GLY 58 5.562 -3.872 0.421 448 H GLY 58 H GLY 58 4.073 -1.468 0.008 449 1HB TYR 59 2HB TYR 59 1.420 -7.360 -0.892 450 2HB TYR 59 1HB TYR 59 1.747 -5.763 -1.561 451 H TYR 59 H TYR 59 4.186 -5.703 1.022 452 HA TYR 59 HA TYR 59 1.325 -5.231 0.646 453 HD1 TYR 59 HD1 TYR 59 4.180 -5.051 -1.843 454 HD2 TYR 59 HD2 TYR 59 3.032 -9.073 -1.020 455 HE1 TYR 59 HE1 TYR 59 6.357 -5.840 -2.666 456 HE2 TYR 59 HE2 TYR 59 5.205 -9.864 -1.845 457 HH TYR 59 HH TYR 59 7.696 -8.559 -2.024 458 1HB PRO 60 2HB PRO 60 -0.791 -7.682 5.023 459 2HB PRO 60 1HB PRO 60 0.584 -6.672 5.472 460 1HG PRO 60 2HG PRO 60 -1.533 -6.196 3.423 461 2HG PRO 60 1HG PRO 60 -0.768 -5.049 4.536 462 1HD PRO 60 1HD PRO 60 -0.096 -5.217 1.918 463 2HD PRO 60 2HD PRO 60 1.067 -4.762 3.178 464 HA PRO 60 HA PRO 60 1.772 -8.102 4.142 465 1HG1 ILE 61 2HG1 ILE 61 2.629 -10.346 1.145 466 2HG1 ILE 61 1HG1 ILE 61 2.630 -11.443 -0.232 467 H ILE 61 H ILE 61 1.841 -10.023 2.994 468 HA ILE 61 HA ILE 61 -0.602 -11.028 1.765 469 HB ILE 61 HB ILE 61 1.974 -12.556 1.893 470 1HG2 ILE 61 2HG2 ILE 61 -0.540 -12.950 0.692 471 2HG2 ILE 61 1HG2 ILE 61 0.598 -12.609 -0.612 472 3HG2 ILE 61 3HG2 ILE 61 0.915 -13.931 0.512 473 1HD1 ILE 61 1HD1 ILE 61 0.124 -9.978 0.217 474 2HD1 ILE 61 3HD1 ILE 61 1.516 -9.004 -0.256 475 3HD1 ILE 61 2HD1 ILE 61 0.983 -10.337 -1.280 476 H VAL 62 H VAL 62 -2.013 -12.006 3.047 477 HA VAL 62 HA VAL 62 -1.102 -13.455 5.410 478 HB VAL 62 HB VAL 62 -3.951 -13.014 4.521 479 1HG1 VAL 62 2HG1 VAL 62 -2.654 -13.889 7.082 480 2HG1 VAL 62 1HG1 VAL 62 -4.289 -13.230 7.046 481 3HG1 VAL 62 3HG1 VAL 62 -3.910 -14.699 6.147 482 1HG2 VAL 62 3HG2 VAL 62 -2.025 -11.152 5.713 483 2HG2 VAL 62 2HG2 VAL 62 -3.531 -10.834 4.850 484 3HG2 VAL 62 1HG2 VAL 62 -3.568 -11.258 6.562 485 1HB LYS 63 2HB LYS 63 -4.643 -15.503 2.101 486 2HB LYS 63 1HB LYS 63 -4.001 -15.796 0.492 487 1HG LYS 63 2HG LYS 63 -4.186 -18.122 2.314 488 2HG LYS 63 1HG LYS 63 -5.695 -17.454 1.688 489 1HD LYS 63 2HD LYS 63 -5.242 -18.072 -0.454 490 2HD LYS 63 1HD LYS 63 -3.501 -17.878 -0.256 491 1HE LYS 63 2HE LYS 63 -4.905 -20.074 1.195 492 2HE LYS 63 1HE LYS 63 -4.554 -20.259 -0.522 493 H LYS 63 H LYS 63 -2.429 -14.006 2.243 494 HA LYS 63 HA LYS 63 -2.471 -16.901 2.791 495 1HZ LYS 63 3HZ LYS 63 -2.313 -19.320 1.017 496 2HZ LYS 63 2HZ LYS 63 -2.853 -20.852 1.489 497 3HZ LYS 63 1HZ LYS 63 -2.399 -20.575 -0.116 498 1HB PRO 64 2HB PRO 64 1.676 -19.183 0.205 499 2HB PRO 64 1HB PRO 64 2.336 -17.890 1.206 500 1HG PRO 64 2HG PRO 64 0.107 -19.783 1.776 501 2HG PRO 64 1HG PRO 64 1.334 -19.127 2.873 502 1HD PRO 64 1HD PRO 64 -1.196 -18.217 2.862 503 2HD PRO 64 2HD PRO 64 0.184 -17.145 3.178 504 HA PRO 64 HA PRO 64 1.066 -16.484 -0.044 505 1HA GLY 65 2HA GLY 65 -0.474 -17.654 -3.897 506 2HA GLY 65 1HA GLY 65 -0.260 -19.292 -3.295 507 H GLY 65 H GLY 65 1.529 -17.339 -2.125 508 1HB PRO 66 2HB PRO 66 1.276 -19.930 -8.508 509 2HB PRO 66 1HB PRO 66 2.103 -21.281 -7.731 510 1HG PRO 66 2HG PRO 66 -0.588 -20.973 -7.653 511 2HG PRO 66 1HG PRO 66 0.330 -21.741 -6.344 512 1HD PRO 66 2HD PRO 66 -0.756 -18.953 -6.516 513 2HD PRO 66 1HD PRO 66 -0.741 -20.074 -5.138 514 HA PRO 66 HA PRO 66 3.012 -19.922 -6.160 515 1HB ASN 67 2HB ASN 67 2.050 -16.379 -9.010 516 2HB ASN 67 1HB ASN 67 1.206 -15.134 -8.094 517 1HD2 ASN 67 2HD2 ASN 67 1.286 -13.178 -8.906 518 2HD2 ASN 67 1HD2 ASN 67 2.504 -12.561 -9.964 519 H ASN 67 H ASN 67 2.411 -17.107 -5.660 520 HA ASN 67 HA ASN 67 4.063 -15.890 -7.504 521 1HB CYS 68 2HB CYS 68 -0.323 -14.550 -4.171 522 2HB CYS 68 1HB CYS 68 0.010 -13.244 -3.037 523 H CYS 68 H CYS 68 1.125 -15.323 -5.603 524 HA CYS 68 HA CYS 68 1.866 -12.658 -4.868 525 1HA GLY 69 2HA GLY 69 2.507 -16.245 -0.926 526 2HA GLY 69 1HA GLY 69 2.772 -14.536 -0.600 527 H GLY 69 H GLY 69 1.439 -15.571 -2.844 528 1HB PHE 70 2HB PHE 70 6.499 -12.627 -0.650 529 2HB PHE 70 1HB PHE 70 7.999 -13.416 -0.175 530 H PHE 70 H PHE 70 4.819 -13.913 -0.477 531 HA PHE 70 HA PHE 70 6.822 -14.954 -2.266 532 HD1 PHE 70 HD1 PHE 70 9.732 -13.885 -1.925 533 HD2 PHE 70 HD2 PHE 70 6.344 -11.414 -2.650 534 HE1 PHE 70 HE1 PHE 70 10.868 -12.906 -3.875 535 HE2 PHE 70 HE2 PHE 70 7.475 -10.429 -4.602 536 HZ PHE 70 HZ PHE 70 9.740 -11.176 -5.216 537 1HA GLY 71 2HA GLY 71 7.952 -17.165 1.660 538 2HA GLY 71 1HA GLY 71 6.893 -18.348 0.901 539 H GLY 71 H GLY 71 5.483 -16.143 0.482 540 1HB LYS 72 2HB LYS 72 7.235 -15.330 5.751 541 2HB LYS 72 1HB LYS 72 6.097 -15.975 6.928 542 1HG LYS 72 2HG LYS 72 7.329 -18.241 6.045 543 2HG LYS 72 1HG LYS 72 8.638 -17.059 5.976 544 1HD LYS 72 2HD LYS 72 6.896 -17.255 8.404 545 2HD LYS 72 1HD LYS 72 8.237 -18.379 8.172 546 1HE LYS 72 2HE LYS 72 9.812 -16.788 8.511 547 2HE LYS 72 1HE LYS 72 8.840 -15.516 7.770 548 H LYS 72 H LYS 72 7.223 -16.045 3.520 549 HA LYS 72 HA LYS 72 5.367 -17.610 5.111 550 1HZ LYS 72 2HZ LYS 72 7.400 -15.765 9.865 551 2HZ LYS 72 1HZ LYS 72 8.749 -16.534 10.535 552 3HZ LYS 72 3HZ LYS 72 8.869 -14.936 9.991 553 H THR 73 H THR 73 4.263 -15.838 6.825 554 HA THR 73 HA THR 73 2.522 -14.228 5.076 555 HB THR 73 HB THR 73 0.766 -14.482 6.762 556 HG1 THR 73 HG1 THR 73 2.851 -15.388 8.259 557 1HG2 THR 73 2HG2 THR 73 1.232 -16.223 4.923 558 2HG2 THR 73 1HG2 THR 73 1.831 -17.239 6.233 559 3HG2 THR 73 3HG2 THR 73 0.158 -16.681 6.244 560 1HA GLY 74 2HA GLY 74 4.158 -10.925 7.445 561 2HA GLY 74 1HA GLY 74 2.439 -10.558 7.526 562 H GLY 74 H GLY 74 2.596 -12.094 5.309 563 1HG1 ILE 75 1HG1 ILE 75 2.088 -5.244 5.545 564 2HG1 ILE 75 2HG1 ILE 75 1.915 -6.281 6.957 565 H ILE 75 H ILE 75 3.758 -8.378 7.325 566 HA ILE 75 HA ILE 75 3.077 -7.297 4.794 567 HB ILE 75 HB ILE 75 4.382 -6.230 7.252 568 1HG2 ILE 75 3HG2 ILE 75 4.444 -4.864 4.567 569 2HG2 ILE 75 2HG2 ILE 75 4.706 -4.037 6.104 570 3HG2 ILE 75 1HG2 ILE 75 5.820 -5.302 5.580 571 1HD1 ILE 75 1HD1 ILE 75 3.182 -4.357 8.170 572 2HD1 ILE 75 3HD1 ILE 75 2.623 -3.397 6.801 573 3HD1 ILE 75 2HD1 ILE 75 1.456 -4.220 7.835 574 1HG1 ILE 76 2HG1 ILE 76 4.281 -9.163 2.316 575 2HG1 ILE 76 1HG1 ILE 76 4.246 -9.542 0.598 576 H ILE 76 H ILE 76 4.190 -7.356 2.974 577 HA ILE 76 HA ILE 76 7.001 -8.131 3.018 578 HB ILE 76 HB ILE 76 5.458 -7.601 0.509 579 1HG2 ILE 76 3HG2 ILE 76 7.907 -8.091 0.504 580 2HG2 ILE 76 2HG2 ILE 76 7.526 -9.694 1.134 581 3HG2 ILE 76 1HG2 ILE 76 6.927 -9.205 -0.452 582 1HD1 ILE 76 1HD1 ILE 76 6.565 -10.642 1.967 583 2HD1 ILE 76 3HD1 ILE 76 5.024 -11.236 2.585 584 3HD1 ILE 76 2HD1 ILE 76 5.413 -11.408 0.874 585 1HB ASP 77 2HB ASP 77 6.965 -3.728 4.330 586 2HB ASP 77 1HB ASP 77 8.672 -3.475 4.674 587 H ASP 77 H ASP 77 7.935 -6.197 3.785 588 HA ASP 77 HA ASP 77 7.889 -3.981 1.844 589 1HB TYR 78 2HB TYR 78 11.088 -5.023 -0.716 590 2HB TYR 78 1HB TYR 78 12.474 -3.938 -0.775 591 H TYR 78 H TYR 78 9.708 -4.057 0.700 592 HA TYR 78 HA TYR 78 12.162 -5.069 1.873 593 HD1 TYR 78 HD1 TYR 78 11.387 -7.400 -0.235 594 HD2 TYR 78 HD2 TYR 78 14.724 -4.774 -0.494 595 HE1 TYR 78 HE1 TYR 78 12.891 -9.338 -0.414 596 HE2 TYR 78 HE2 TYR 78 16.237 -6.704 -0.674 597 HH TYR 78 HH TYR 78 15.389 -9.634 -1.514 598 1HA GLY 79 2HA GLY 79 13.159 -0.846 2.748 599 2HA GLY 79 1HA GLY 79 11.526 -0.276 3.090 600 H GLY 79 H GLY 79 10.700 -2.275 2.249 601 1HG1 ILE 80 1HG1 ILE 80 11.724 3.347 2.468 602 2HG1 ILE 80 2HG1 ILE 80 12.552 4.898 2.507 603 H ILE 80 H ILE 80 12.462 1.766 2.236 604 HA ILE 80 HA ILE 80 11.450 2.454 -0.215 605 HB ILE 80 HB ILE 80 13.886 3.732 1.020 606 1HG2 ILE 80 1HG2 ILE 80 11.772 4.756 -0.867 607 2HG2 ILE 80 3HG2 ILE 80 12.954 5.783 -0.055 608 3HG2 ILE 80 2HG2 ILE 80 13.493 4.549 -1.193 609 1HD1 ILE 80 3HD1 ILE 80 10.247 4.372 0.667 610 2HD1 ILE 80 2HD1 ILE 80 10.029 4.932 2.325 611 3HD1 ILE 80 1HD1 ILE 80 10.925 5.920 1.171 612 1HB ARG 81 2HB ARG 81 12.620 1.924 -4.928 613 2HB ARG 81 1HB ARG 81 13.716 0.550 -4.980 614 1HG ARG 81 2HG ARG 81 11.712 0.535 -2.816 615 2HG ARG 81 1HG ARG 81 11.101 0.337 -4.460 616 1HD ARG 81 2HD ARG 81 13.377 -1.290 -3.358 617 2HD ARG 81 1HD ARG 81 11.692 -1.787 -3.212 618 1HH1 ARG 81 1HH1 ARG 81 10.458 -2.698 -3.921 619 2HH1 ARG 81 2HH1 ARG 81 9.876 -3.705 -5.204 620 1HH2 ARG 81 2HH2 ARG 81 12.430 -2.838 -7.430 621 2HH2 ARG 81 1HH2 ARG 81 10.998 -3.784 -7.200 622 H ARG 81 H ARG 81 12.225 2.629 -2.297 623 HA ARG 81 HA ARG 81 14.624 1.038 -2.872 624 HE ARG 81 HE ARG 81 13.187 -1.515 -5.732 625 1HB LEU 82 2HB LEU 82 17.116 3.938 -3.355 626 2HB LEU 82 1HB LEU 82 17.304 5.289 -4.453 627 H LEU 82 H LEU 82 14.290 4.023 -2.138 628 HA LEU 82 HA LEU 82 15.239 6.017 -2.688 629 HG LEU 82 HG LEU 82 18.825 5.503 -2.573 630 1HD1 LEU 82 3HD1 LEU 82 17.025 7.453 -3.454 631 2HD1 LEU 82 2HD1 LEU 82 17.108 7.633 -1.701 632 3HD1 LEU 82 1HD1 LEU 82 18.582 7.705 -2.666 633 1HD2 LEU 82 3HD2 LEU 82 16.423 4.814 -1.055 634 2HD2 LEU 82 2HD2 LEU 82 18.126 4.589 -0.654 635 3HD2 LEU 82 1HD2 LEU 82 17.353 6.148 -0.371 636 1HB ASN 83 2HB ASN 83 14.804 5.157 -7.604 637 2HB ASN 83 1HB ASN 83 13.626 3.875 -7.339 638 1HD2 ASN 83 2HD2 ASN 83 12.880 3.295 -9.245 639 2HD2 ASN 83 1HD2 ASN 83 12.315 4.362 -10.480 640 H ASN 83 H ASN 83 13.201 4.788 -4.511 641 HA ASN 83 HA ASN 83 13.338 6.784 -6.559 642 1HB ARG 84 2HB ARG 84 8.842 8.604 -6.277 643 2HB ARG 84 1HB ARG 84 7.882 7.681 -5.128 644 1HG ARG 84 2HG ARG 84 9.070 8.796 -3.598 645 2HG ARG 84 1HG ARG 84 10.321 7.603 -3.948 646 1HD ARG 84 2HD ARG 84 11.275 9.132 -5.626 647 2HD ARG 84 1HD ARG 84 10.052 10.330 -5.207 648 1HH1 ARG 84 1HH1 ARG 84 12.736 8.271 -5.083 649 2HH1 ARG 84 2HH1 ARG 84 14.204 8.329 -4.165 650 1HH2 ARG 84 1HH2 ARG 84 13.066 10.782 -1.950 651 2HH2 ARG 84 2HH2 ARG 84 14.391 9.756 -2.386 652 H ARG 84 H ARG 84 11.328 7.471 -5.977 653 HA ARG 84 HA ARG 84 9.141 5.735 -5.459 654 HE ARG 84 HE ARG 84 11.136 10.699 -3.165 655 1HB SER 85 2HB SER 85 10.777 6.866 -10.569 656 2HB SER 85 1HB SER 85 11.132 5.139 -10.629 657 H SER 85 H SER 85 10.596 5.677 -8.168 658 HA SER 85 HA SER 85 8.411 6.298 -9.988 659 HG SER 85 HG SER 85 10.579 6.198 -12.682 660 1HB GLU 86 2HB GLU 86 7.418 1.608 -6.920 661 2HB GLU 86 1HB GLU 86 8.461 0.371 -7.603 662 1HG GLU 86 2HG GLU 86 9.578 3.035 -6.853 663 2HG GLU 86 1HG GLU 86 9.306 1.796 -5.626 664 H GLU 86 H GLU 86 8.915 3.851 -7.978 665 HA GLU 86 HA GLU 86 8.804 1.532 -9.564 666 1HB ARG 87 2HB ARG 87 5.215 -1.169 -11.256 667 2HB ARG 87 1HB ARG 87 3.887 -0.150 -11.787 668 1HG ARG 87 2HG ARG 87 5.291 1.334 -12.878 669 2HG ARG 87 1HG ARG 87 6.705 0.832 -11.951 670 1HD ARG 87 2HD ARG 87 6.812 -1.255 -13.119 671 2HD ARG 87 1HD ARG 87 5.274 -0.938 -13.923 672 1HH1 ARG 87 1HH1 ARG 87 8.505 -0.414 -12.809 673 2HH1 ARG 87 2HH1 ARG 87 9.915 0.216 -13.591 674 1HH2 ARG 87 1HH2 ARG 87 8.209 1.278 -16.452 675 2HH2 ARG 87 2HH2 ARG 87 9.747 1.179 -15.662 676 H ARG 87 H ARG 87 6.863 0.010 -9.483 677 HA ARG 87 HA ARG 87 4.429 1.530 -10.154 678 HE ARG 87 HE ARG 87 6.358 0.446 -15.413 679 1HB TRP 88 2HB TRP 88 3.732 0.966 -5.530 680 2HB TRP 88 1HB TRP 88 2.803 -0.377 -4.880 681 H TRP 88 H TRP 88 3.597 1.415 -8.055 682 HA TRP 88 HA TRP 88 2.686 -1.272 -7.260 683 HD1 TRP 88 HD1 TRP 88 6.203 0.624 -5.120 684 HE1 TRP 88 HE1 TRP 88 7.826 -1.373 -5.079 685 HE3 TRP 88 HE3 TRP 88 2.890 -3.123 -6.148 686 HZ2 TRP 88 HZ2 TRP 88 7.707 -4.176 -5.427 687 HZ3 TRP 88 HZ3 TRP 88 3.723 -5.434 -6.278 688 HH2 TRP 88 HH2 TRP 88 6.083 -5.949 -5.926 689 1HB ASP 89 2HB ASP 89 -0.962 -1.237 -4.452 690 2HB ASP 89 1HB ASP 89 -2.333 -0.130 -4.415 691 H ASP 89 H ASP 89 1.137 -0.445 -5.094 692 HA ASP 89 HA ASP 89 -1.045 0.959 -6.474 693 H ALA 90 H ALA 90 -2.232 0.999 -3.583 694 HA ALA 90 HA ALA 90 -0.619 2.903 -2.191 695 1HB ALA 90 3HB ALA 90 -1.258 4.544 -3.682 696 2HB ALA 90 1HB ALA 90 -2.463 4.714 -2.403 697 3HB ALA 90 2HB ALA 90 -2.874 3.869 -3.896 698 1HB TYR 91 2HB TYR 91 -0.810 1.491 1.908 699 2HB TYR 91 1HB TYR 91 -2.207 1.166 2.927 700 H TYR 91 H TYR 91 -0.981 2.406 -0.150 701 HA TYR 91 HA TYR 91 -3.516 1.230 0.650 702 HD1 TYR 91 HD1 TYR 91 -3.810 -0.679 1.430 703 HD2 TYR 91 HD2 TYR 91 0.428 -0.449 1.706 704 HE1 TYR 91 HE1 TYR 91 -3.654 -3.072 0.898 705 HE2 TYR 91 HE2 TYR 91 0.599 -2.842 1.171 706 HH TYR 91 HH TYR 91 -1.042 -4.550 -0.173 707 1HB CYS 92 2HB CYS 92 -6.708 4.479 0.498 708 2HB CYS 92 1HB CYS 92 -6.650 6.067 1.246 709 H CYS 92 H CYS 92 -4.663 3.285 0.247 710 HA CYS 92 HA CYS 92 -4.192 5.630 1.688 711 1HB TYR 93 2HB TYR 93 -4.536 4.915 5.742 712 2HB TYR 93 1HB TYR 93 -4.975 6.558 6.202 713 H TYR 93 H TYR 93 -5.878 6.524 3.260 714 HA TYR 93 HA TYR 93 -6.999 4.609 5.107 715 HD1 TYR 93 HD1 TYR 93 -7.486 6.337 7.556 716 HD2 TYR 93 HD2 TYR 93 -4.187 3.649 7.642 717 HE1 TYR 93 HE1 TYR 93 -8.206 5.533 9.765 718 HE2 TYR 93 HE2 TYR 93 -4.901 2.837 9.850 719 HH TYR 93 HH TYR 93 -6.231 3.581 11.745 720 1HB ASN 94 2HB ASN 94 -9.181 8.662 4.310 721 2HB ASN 94 1HB ASN 94 -10.309 7.385 3.862 722 1HD2 ASN 94 1HD2 ASN 94 -11.361 9.288 2.853 723 2HD2 ASN 94 2HD2 ASN 94 -12.490 10.178 3.811 724 H ASN 94 H ASN 94 -8.896 5.389 5.689 725 HA ASN 94 HA ASN 94 -9.292 8.030 6.635 726 1HB PRO 95 2HB PRO 95 -13.221 7.130 10.286 727 2HB PRO 95 1HB PRO 95 -11.822 6.076 10.525 728 1HG PRO 95 2HG PRO 95 -11.920 8.927 9.631 729 2HG PRO 95 1HG PRO 95 -10.785 8.139 10.742 730 1HD PRO 95 2HD PRO 95 -10.131 8.689 8.191 731 2HD PRO 95 1HD PRO 95 -9.531 7.238 9.022 732 HA PRO 95 HA PRO 95 -12.349 5.271 8.454 733 1HB HIS 96 2HB HIS 96 -14.591 10.047 7.321 734 2HB HIS 96 1HB HIS 96 -14.068 10.175 5.644 735 H HIS 96 H HIS 96 -12.715 8.010 6.575 736 HA HIS 96 HA HIS 96 -15.653 7.830 6.691 737 HD1 HIS 96 HD1 HIS 96 -15.558 12.292 5.347 738 HD2 HIS 96 HD2 HIS 96 -17.648 8.823 6.274 739 HE1 HIS 96 HE1 HIS 96 -17.970 12.814 4.869 740 HE2 HIS 96 HE2 HIS 96 -19.199 10.662 5.325 741 H ALA 97 H ALA 97 -12.953 7.089 4.869 742 HA ALA 97 HA ALA 97 -14.122 7.499 2.259 743 1HB ALA 97 3HB ALA 97 -11.533 6.502 3.304 744 2HB ALA 97 1HB ALA 97 -11.867 7.682 2.037 745 3HB ALA 97 2HB ALA 97 -12.027 5.959 1.700 746 1HB LYS 98 2HB LYS 98 -15.101 3.495 4.626 747 2HB LYS 98 1HB LYS 98 -16.830 3.251 4.838 748 1HG LYS 98 2HG LYS 98 -16.452 1.493 2.899 749 2HG LYS 98 1HG LYS 98 -14.809 1.508 3.546 750 1HD LYS 98 2HD LYS 98 -15.749 -0.147 4.827 751 2HD LYS 98 1HD LYS 98 -16.050 1.261 5.846 752 1HE LYS 98 2HE LYS 98 -18.187 0.969 3.965 753 2HE LYS 98 1HE LYS 98 -17.929 -0.562 4.801 754 H LYS 98 H LYS 98 -15.992 6.111 3.433 755 HA LYS 98 HA LYS 98 -15.948 3.576 2.042 756 1HZ LYS 98 2HZ LYS 98 -18.350 2.070 6.113 757 2HZ LYS 98 1HZ LYS 98 -19.505 0.841 5.978 758 3HZ LYS 98 3HZ LYS 98 -18.114 0.598 6.911 No H/Q in entry = 758 Start of MODEL 16 1 1HA GLY 1 2HA GLY 1 -10.615 3.031 7.858 2 2HA GLY 1 1HA GLY 1 -9.367 2.173 8.748 3 H1 GLY 1 2H GLY 1 -9.398 5.121 8.451 4 H2 GLY 1 1H GLY 1 -10.117 4.314 9.753 5 H3 GLY 1 3H GLY 1 -8.447 4.199 9.503 6 H VAL 2 H VAL 2 -7.506 1.680 7.742 7 HA VAL 2 HA VAL 2 -6.635 3.147 5.403 8 HB VAL 2 HB VAL 2 -4.813 2.547 6.708 9 1HG1 VAL 2 2HG1 VAL 2 -6.485 0.347 7.483 10 2HG1 VAL 2 1HG1 VAL 2 -4.864 -0.227 7.097 11 3HG1 VAL 2 3HG1 VAL 2 -5.087 1.034 8.311 12 1HG2 VAL 2 2HG2 VAL 2 -4.957 1.543 4.190 13 2HG2 VAL 2 1HG2 VAL 2 -3.506 1.522 5.191 14 3HG2 VAL 2 3HG2 VAL 2 -4.542 0.097 5.110 15 1HB TYR 3 2HB TYR 3 -9.074 0.757 0.896 16 2HB TYR 3 1HB TYR 3 -9.677 0.896 2.538 17 H TYR 3 H TYR 3 -6.720 2.486 3.324 18 HA TYR 3 HA TYR 3 -7.639 -0.235 2.763 19 HD1 TYR 3 HD1 TYR 3 -8.260 3.224 3.587 20 HD2 TYR 3 HD2 TYR 3 -9.874 2.559 -0.290 21 HE1 TYR 3 HE1 TYR 3 -8.509 5.651 3.282 22 HE2 TYR 3 HE2 TYR 3 -10.125 4.983 -0.609 23 HH TYR 3 HH TYR 3 -8.604 7.228 1.087 24 1HB HIS 4 2HB HIS 4 -4.566 -1.884 0.430 25 2HB HIS 4 1HB HIS 4 -5.672 -2.511 -0.776 26 H HIS 4 H HIS 4 -7.212 -0.956 0.627 27 HA HIS 4 HA HIS 4 -4.878 0.389 -0.550 28 HD1 HIS 4 HD1 HIS 4 -2.175 -1.384 -0.310 29 HD2 HIS 4 HD2 HIS 4 -4.654 -2.558 -3.428 30 HE1 HIS 4 HE1 HIS 4 -0.646 -1.837 -2.250 31 HE2 HIS 4 HE2 HIS 4 -2.158 -2.660 -4.087 32 1HB ARG 5 2HB ARG 5 -6.311 3.079 -3.970 33 2HB ARG 5 1HB ARG 5 -7.497 2.495 -5.127 34 1HG ARG 5 2HG ARG 5 -8.023 1.806 -2.315 35 2HG ARG 5 1HG ARG 5 -8.115 3.521 -2.719 36 1HD ARG 5 2HD ARG 5 -9.452 2.274 -4.796 37 2HD ARG 5 1HD ARG 5 -9.935 1.354 -3.372 38 1HH1 ARG 5 2HH1 ARG 5 -11.690 1.163 -3.461 39 2HH1 ARG 5 1HH1 ARG 5 -13.253 1.778 -3.037 40 1HH2 ARG 5 2HH2 ARG 5 -12.184 5.092 -2.719 41 2HH2 ARG 5 1HH2 ARG 5 -13.534 4.011 -2.616 42 H ARG 5 H ARG 5 -5.051 1.208 -2.525 43 HA ARG 5 HA ARG 5 -7.177 0.200 -4.293 44 HE ARG 5 HE ARG 5 -10.129 4.271 -3.277 45 1HB GLU 6 2HB GLU 6 -6.179 -0.859 -8.154 46 2HB GLU 6 1HB GLU 6 -5.960 0.339 -9.419 47 1HG GLU 6 2HG GLU 6 -4.756 -1.433 -10.233 48 2HG GLU 6 1HG GLU 6 -3.503 -0.494 -9.423 49 H GLU 6 H GLU 6 -6.779 0.937 -6.620 50 HA GLU 6 HA GLU 6 -3.959 0.417 -7.254 51 H ALA 7 H ALA 7 -3.923 1.266 -9.863 52 HA ALA 7 HA ALA 7 -3.548 4.095 -9.512 53 1HB ALA 7 3HB ALA 7 -2.946 3.891 -12.031 54 2HB ALA 7 2HB ALA 7 -1.885 3.168 -10.823 55 3HB ALA 7 1HB ALA 7 -3.013 2.156 -11.723 56 1HB ARG 8 2HB ARG 8 -4.868 6.207 -13.833 57 2HB ARG 8 1HB ARG 8 -6.540 6.685 -14.095 58 1HG ARG 8 2HG ARG 8 -6.098 8.658 -13.209 59 2HG ARG 8 1HG ARG 8 -5.711 7.875 -11.676 60 1HD ARG 8 2HD ARG 8 -3.650 8.684 -11.955 61 2HD ARG 8 1HD ARG 8 -3.454 7.433 -13.182 62 1HH1 ARG 8 2HH1 ARG 8 -4.058 7.088 -15.011 63 2HH1 ARG 8 1HH1 ARG 8 -3.908 7.649 -16.643 64 1HH2 ARG 8 1HH2 ARG 8 -3.546 11.013 -15.761 65 2HH2 ARG 8 2HH2 ARG 8 -3.616 9.879 -17.070 66 H ARG 8 H ARG 8 -4.184 5.279 -11.833 67 HA ARG 8 HA ARG 8 -6.840 5.981 -11.588 68 HE ARG 8 HE ARG 8 -3.749 10.264 -13.617 69 1HB SER 9 2HB SER 9 -7.650 3.955 -15.605 70 2HB SER 9 1HB SER 9 -7.143 2.491 -16.448 71 H SER 9 H SER 9 -5.396 3.440 -13.543 72 HA SER 9 HA SER 9 -7.818 1.968 -13.663 73 HG SER 9 HG SER 9 -9.185 1.706 -15.127 74 1HA GLY 10 2HA GLY 10 -2.980 0.794 -14.807 75 2HA GLY 10 1HA GLY 10 -4.246 -0.402 -15.041 76 H GLY 10 H GLY 10 -4.636 2.116 -13.545 77 1HB LYS 11 2HB LYS 11 -3.646 -3.824 -12.663 78 2HB LYS 11 1HB LYS 11 -1.970 -4.195 -13.043 79 1HG LYS 11 2HG LYS 11 -1.639 -4.268 -10.488 80 2HG LYS 11 1HG LYS 11 -3.398 -4.407 -10.425 81 1HD LYS 11 2HD LYS 11 -2.859 -6.261 -12.293 82 2HD LYS 11 1HD LYS 11 -1.370 -6.345 -11.350 83 1HE LYS 11 2HE LYS 11 -2.386 -7.397 -9.668 84 2HE LYS 11 1HE LYS 11 -3.722 -6.247 -9.660 85 H LYS 11 H LYS 11 -2.558 -1.827 -14.160 86 HA LYS 11 HA LYS 11 -2.747 -1.917 -11.230 87 1HZ LYS 11 3HZ LYS 11 -4.196 -7.692 -11.889 88 2HZ LYS 11 2HZ LYS 11 -3.562 -8.864 -10.847 89 3HZ LYS 11 1HZ LYS 11 -4.919 -7.968 -10.384 90 1HB TYR 12 2HB TYR 12 1.524 -3.761 -11.498 91 2HB TYR 12 1HB TYR 12 2.890 -3.158 -10.567 92 H TYR 12 H TYR 12 -0.941 -2.145 -9.964 93 HA TYR 12 HA TYR 12 1.218 -1.627 -9.389 94 HD1 TYR 12 HD1 TYR 12 1.926 -2.931 -7.871 95 HD2 TYR 12 HD2 TYR 12 1.005 -5.889 -10.786 96 HE1 TYR 12 HE1 TYR 12 1.427 -4.531 -6.075 97 HE2 TYR 12 HE2 TYR 12 0.496 -7.499 -8.998 98 HH TYR 12 HH TYR 12 1.221 -7.777 -6.511 99 1HB LYS 13 2HB LYS 13 1.669 2.178 -14.023 100 2HB LYS 13 1HB LYS 13 1.379 0.448 -13.901 101 1HG LYS 13 2HG LYS 13 -0.797 0.807 -13.773 102 2HG LYS 13 1HG LYS 13 -0.568 1.789 -12.325 103 1HD LYS 13 2HD LYS 13 -1.552 3.332 -13.699 104 2HD LYS 13 1HD LYS 13 0.146 3.613 -14.091 105 1HE LYS 13 2HE LYS 13 -0.745 1.531 -15.767 106 2HE LYS 13 1HE LYS 13 -1.989 2.780 -15.804 107 H LYS 13 H LYS 13 0.643 0.528 -10.575 108 HA LYS 13 HA LYS 13 2.951 1.191 -12.183 109 1HZ LYS 13 2HZ LYS 13 0.520 4.014 -15.978 110 2HZ LYS 13 1HZ LYS 13 0.474 2.765 -17.116 111 3HZ LYS 13 3HZ LYS 13 -0.711 3.972 -17.136 112 1HB LEU 14 2HB LEU 14 0.306 2.704 -7.954 113 2HB LEU 14 1HB LEU 14 0.673 4.292 -7.314 114 H LEU 14 H LEU 14 1.566 1.862 -9.586 115 HA LEU 14 HA LEU 14 1.076 4.726 -9.959 116 HG LEU 14 HG LEU 14 -1.503 3.524 -9.241 117 1HD1 LEU 14 1HD1 LEU 14 -1.318 4.059 -6.432 118 2HD1 LEU 14 3HD1 LEU 14 -2.371 5.248 -7.202 119 3HD1 LEU 14 2HD1 LEU 14 -2.709 3.525 -7.379 120 1HD2 LEU 14 2HD2 LEU 14 -0.011 5.971 -9.205 121 2HD2 LEU 14 1HD2 LEU 14 -1.352 5.495 -10.246 122 3HD2 LEU 14 3HD2 LEU 14 -1.672 6.271 -8.694 123 H THR 15 H THR 15 2.104 6.274 -8.568 124 HA THR 15 HA THR 15 4.770 5.399 -7.666 125 HB THR 15 HB THR 15 5.630 7.587 -8.166 126 HG1 THR 15 HG1 THR 15 3.063 8.314 -7.983 127 1HG2 THR 15 3HG2 THR 15 3.978 6.372 -10.367 128 2HG2 THR 15 2HG2 THR 15 5.038 7.754 -10.647 129 3HG2 THR 15 1HG2 THR 15 5.712 6.225 -10.084 130 1HB TYR 16 2HB TYR 16 6.393 7.607 -3.804 131 2HB TYR 16 1HB TYR 16 6.286 9.220 -4.502 132 H TYR 16 H TYR 16 5.418 7.817 -6.343 133 HA TYR 16 HA TYR 16 3.952 7.398 -3.878 134 HD1 TYR 16 HD1 TYR 16 4.975 7.289 -1.582 135 HD2 TYR 16 HD2 TYR 16 6.348 11.030 -3.073 136 HE1 TYR 16 HE1 TYR 16 4.801 8.243 0.674 137 HE2 TYR 16 HE2 TYR 16 6.173 11.997 -0.818 138 HH TYR 16 HH TYR 16 4.922 11.561 1.282 139 H ALA 17 H ALA 17 4.793 10.210 -5.891 140 HA ALA 17 HA ALA 17 3.113 12.045 -4.589 141 1HB ALA 17 3HB ALA 17 4.983 12.636 -6.109 142 2HB ALA 17 2HB ALA 17 3.992 12.109 -7.470 143 3HB ALA 17 1HB ALA 17 3.480 13.481 -6.486 144 1HB GLU 18 2HB GLU 18 1.370 8.106 -8.364 145 2HB GLU 18 1HB GLU 18 -0.255 8.433 -8.953 146 1HG GLU 18 2HG GLU 18 0.474 10.081 -10.422 147 2HG GLU 18 1HG GLU 18 2.013 10.278 -9.584 148 H GLU 18 H GLU 18 2.521 9.678 -7.073 149 HA GLU 18 HA GLU 18 -0.029 10.732 -7.868 150 H ALA 19 H ALA 19 0.978 7.846 -6.043 151 HA ALA 19 HA ALA 19 -1.484 6.884 -5.292 152 1HB ALA 19 3HB ALA 19 0.038 5.423 -4.530 153 2HB ALA 19 1HB ALA 19 0.012 6.400 -3.060 154 3HB ALA 19 2HB ALA 19 1.253 6.679 -4.284 155 1HB LYS 20 2HB LYS 20 1.219 10.508 -1.811 156 2HB LYS 20 1HB LYS 20 0.500 11.856 -2.673 157 1HG LYS 20 2HG LYS 20 -0.592 12.639 -0.718 158 2HG LYS 20 1HG LYS 20 -0.204 11.162 0.165 159 1HD LYS 20 2HD LYS 20 2.108 12.612 -0.934 160 2HD LYS 20 1HD LYS 20 1.220 13.460 0.334 161 1HE LYS 20 2HE LYS 20 1.792 10.611 0.839 162 2HE LYS 20 1HE LYS 20 3.190 11.685 0.812 163 H LYS 20 H LYS 20 0.513 9.236 -3.537 164 HA LYS 20 HA LYS 20 -1.204 9.725 -1.416 165 1HZ LYS 20 1HZ LYS 20 1.032 12.784 2.319 166 2HZ LYS 20 3HZ LYS 20 1.504 11.275 2.922 167 3HZ LYS 20 2HZ LYS 20 2.638 12.520 2.778 168 H ALA 21 H ALA 21 -0.902 11.357 -4.535 169 HA ALA 21 HA ALA 21 -2.890 13.290 -4.166 170 1HB ALA 21 3HB ALA 21 -2.963 13.423 -6.630 171 2HB ALA 21 1HB ALA 21 -1.985 11.957 -6.719 172 3HB ALA 21 2HB ALA 21 -1.314 13.423 -6.002 173 H VAL 22 H VAL 22 -3.088 9.940 -5.246 174 HA VAL 22 HA VAL 22 -5.709 9.884 -6.168 175 HB VAL 22 HB VAL 22 -3.807 7.885 -5.097 176 1HG1 VAL 22 1HG1 VAL 22 -6.769 7.357 -5.220 177 2HG1 VAL 22 3HG1 VAL 22 -5.529 6.112 -5.078 178 3HG1 VAL 22 2HG1 VAL 22 -5.740 7.298 -3.790 179 1HG2 VAL 22 2HG2 VAL 22 -3.992 8.445 -7.486 180 2HG2 VAL 22 1HG2 VAL 22 -4.337 6.745 -7.165 181 3HG2 VAL 22 3HG2 VAL 22 -5.659 7.870 -7.476 182 1HB CYS 23 2HB CYS 23 -4.169 9.245 -0.875 183 2HB CYS 23 1HB CYS 23 -5.049 10.398 0.116 184 H CYS 23 H CYS 23 -4.406 9.582 -2.906 185 HA CYS 23 HA CYS 23 -6.892 9.050 -1.621 186 1HB GLU 24 2HB GLU 24 -4.649 14.534 -2.454 187 2HB GLU 24 1HB GLU 24 -5.181 15.428 -1.037 188 1HG GLU 24 2HG GLU 24 -3.975 13.915 0.413 189 2HG GLU 24 1HG GLU 24 -3.504 12.930 -0.971 190 H GLU 24 H GLU 24 -4.817 11.916 -1.543 191 HA GLU 24 HA GLU 24 -6.592 13.662 -0.328 192 1HB PHE 25 2HB PHE 25 -6.833 13.157 -5.984 193 2HB PHE 25 1HB PHE 25 -7.806 11.722 -5.677 194 H PHE 25 H PHE 25 -6.795 12.318 -3.438 195 HA PHE 25 HA PHE 25 -8.380 14.475 -4.560 196 HD1 PHE 25 HD1 PHE 25 -7.922 15.116 -7.158 197 HD2 PHE 25 HD2 PHE 25 -9.684 11.247 -6.978 198 HE1 PHE 25 HE1 PHE 25 -9.357 15.685 -9.074 199 HE2 PHE 25 HE2 PHE 25 -11.122 11.809 -8.894 200 HZ PHE 25 HZ PHE 25 -10.961 14.030 -9.944 201 1HB GLU 26 2HB GLU 26 -9.793 9.290 -2.774 202 2HB GLU 26 1HB GLU 26 -11.494 9.114 -2.374 203 1HG GLU 26 2HG GLU 26 -11.327 9.829 -5.106 204 2HG GLU 26 1HG GLU 26 -10.169 8.532 -4.813 205 H GLU 26 H GLU 26 -8.837 11.308 -3.136 206 HA GLU 26 HA GLU 26 -11.711 11.411 -3.645 207 1HA GLY 27 1HA GLY 27 -11.665 12.496 0.709 208 2HA GLY 27 2HA GLY 27 -10.252 13.541 0.638 209 H GLY 27 H GLY 27 -9.485 12.266 -1.260 210 1HA GLY 28 2HA GLY 28 -8.057 9.839 2.309 211 2HA GLY 28 1HA GLY 28 -8.019 11.176 3.452 212 H GLY 28 H GLY 28 -8.111 12.275 0.888 213 1HB HIS 29 2HB HIS 29 -2.384 10.914 3.819 214 2HB HIS 29 1HB HIS 29 -3.611 12.140 3.516 215 H HIS 29 H HIS 29 -5.906 9.481 3.401 216 HA HIS 29 HA HIS 29 -3.838 10.652 1.713 217 HD1 HIS 29 HD1 HIS 29 -5.021 12.685 5.469 218 HD2 HIS 29 HD2 HIS 29 -3.426 8.858 5.737 219 HE1 HIS 29 HE1 HIS 29 -5.755 11.806 7.708 220 HE2 HIS 29 HE2 HIS 29 -4.730 9.511 7.873 221 1HB LEU 30 2HB LEU 30 0.413 8.438 2.298 222 2HB LEU 30 1HB LEU 30 0.485 6.708 2.057 223 H LEU 30 H LEU 30 -1.671 9.533 2.190 224 HA LEU 30 HA LEU 30 -2.042 6.740 1.889 225 HG LEU 30 HG LEU 30 -0.390 8.816 0.099 226 1HD1 LEU 30 2HD1 LEU 30 2.045 8.151 0.414 227 2HD1 LEU 30 1HD1 LEU 30 1.593 6.590 -0.268 228 3HD1 LEU 30 3HD1 LEU 30 1.398 8.058 -1.224 229 1HD2 LEU 30 3HD2 LEU 30 -1.574 6.292 0.379 230 2HD2 LEU 30 2HD2 LEU 30 -1.716 7.405 -0.983 231 3HD2 LEU 30 1HD2 LEU 30 -0.466 6.160 -0.986 232 H ALA 31 H ALA 31 -2.239 5.223 3.409 233 HA ALA 31 HA ALA 31 -2.292 5.786 6.149 234 1HB ALA 31 1HB ALA 31 -2.292 3.288 4.540 235 2HB ALA 31 3HB ALA 31 -2.019 3.178 6.279 236 3HB ALA 31 2HB ALA 31 -3.502 3.911 5.662 237 H THR 32 H THR 32 -0.915 3.784 7.418 238 HA THR 32 HA THR 32 1.916 4.325 6.841 239 HB THR 32 HB THR 32 2.390 5.192 8.859 240 HG1 THR 32 HG1 THR 32 2.067 3.513 10.202 241 1HG2 THR 32 2HG2 THR 32 -0.042 6.114 7.978 242 2HG2 THR 32 1HG2 THR 32 -0.368 5.709 9.663 243 3HG2 THR 32 3HG2 THR 32 0.925 6.840 9.262 244 1HB TYR 33 2HB TYR 33 5.086 1.262 7.939 245 2HB TYR 33 1HB TYR 33 4.716 1.025 9.641 246 H TYR 33 H TYR 33 3.391 2.821 7.990 247 HA TYR 33 HA TYR 33 2.823 0.168 7.456 248 HD1 TYR 33 HD1 TYR 33 5.184 -0.795 6.436 249 HD2 TYR 33 HD2 TYR 33 5.120 -1.035 10.683 250 HE1 TYR 33 HE1 TYR 33 6.076 -3.082 6.314 251 HE2 TYR 33 HE2 TYR 33 6.014 -3.323 10.572 252 HH TYR 33 HH TYR 33 7.482 -4.640 8.744 253 1HB LYS 34 2HB LYS 34 2.287 2.439 12.510 254 2HB LYS 34 1HB LYS 34 0.730 1.969 13.169 255 1HG LYS 34 2HG LYS 34 2.268 0.067 14.266 256 2HG LYS 34 1HG LYS 34 3.451 1.369 14.122 257 1HD LYS 34 2HD LYS 34 2.595 2.353 15.919 258 2HD LYS 34 1HD LYS 34 1.034 2.486 15.106 259 1HE LYS 34 2HE LYS 34 0.504 1.281 17.008 260 2HE LYS 34 1HE LYS 34 0.732 0.014 15.803 261 H LYS 34 H LYS 34 2.857 1.744 10.644 262 HA LYS 34 HA LYS 34 2.014 -0.380 12.190 263 1HZ LYS 34 1HZ LYS 34 2.869 0.896 17.660 264 2HZ LYS 34 3HZ LYS 34 1.829 -0.398 17.987 265 3HZ LYS 34 2HZ LYS 34 2.873 -0.468 16.658 266 1HB GLN 35 2HB GLN 35 -1.878 2.278 8.580 267 2HB GLN 35 1HB GLN 35 -3.366 2.384 9.507 268 1HG GLN 35 2HG GLN 35 -1.987 3.638 11.248 269 2HG GLN 35 1HG GLN 35 -0.763 3.782 9.988 270 1HE2 GLN 35 1HE2 GLN 35 -3.181 5.377 11.429 271 2HE2 GLN 35 2HE2 GLN 35 -3.681 6.417 10.142 272 H GLN 35 H GLN 35 0.036 2.014 10.474 273 HA GLN 35 HA GLN 35 -2.471 1.078 11.282 274 1HB LEU 36 2HB LEU 36 0.724 -1.052 7.307 275 2HB LEU 36 1HB LEU 36 0.495 -2.787 7.212 276 H LEU 36 H LEU 36 -0.274 0.012 8.771 277 HA LEU 36 HA LEU 36 -2.086 -1.652 7.371 278 HG LEU 36 HG LEU 36 0.609 -1.946 4.982 279 1HD1 LEU 36 2HD1 LEU 36 -1.644 -3.296 5.990 280 2HD1 LEU 36 1HD1 LEU 36 -2.237 -2.145 4.792 281 3HD1 LEU 36 3HD1 LEU 36 -1.004 -3.325 4.346 282 1HD2 LEU 36 2HD2 LEU 36 -0.661 0.325 6.092 283 2HD2 LEU 36 1HD2 LEU 36 -0.003 0.119 4.469 284 3HD2 LEU 36 3HD2 LEU 36 -1.689 -0.283 4.794 285 1HB GLU 37 2HB GLU 37 1.272 -3.486 11.743 286 2HB GLU 37 1HB GLU 37 -0.069 -2.806 12.649 287 1HG GLU 37 2HG GLU 37 -0.593 -5.271 13.238 288 2HG GLU 37 1HG GLU 37 1.082 -5.555 12.762 289 H GLU 37 H GLU 37 -0.147 -2.065 10.236 290 HA GLU 37 HA GLU 37 -0.319 -4.877 10.460 291 H ALA 38 H ALA 38 -2.102 -2.319 12.146 292 HA ALA 38 HA ALA 38 -3.948 -3.880 13.488 293 1HB ALA 38 2HB ALA 38 -3.637 -1.441 13.805 294 2HB ALA 38 3HB ALA 38 -5.331 -1.906 13.641 295 3HB ALA 38 1HB ALA 38 -4.484 -1.167 12.282 296 H ALA 39 H ALA 39 -3.825 -2.923 10.150 297 HA ALA 39 HA ALA 39 -6.508 -3.707 9.501 298 1HB ALA 39 3HB ALA 39 -4.164 -3.328 7.642 299 2HB ALA 39 1HB ALA 39 -5.211 -2.026 8.208 300 3HB ALA 39 2HB ALA 39 -5.875 -3.321 7.210 301 1HB ARG 40 2HB ARG 40 -1.761 -6.782 8.401 302 2HB ARG 40 1HB ARG 40 -1.866 -7.188 10.109 303 1HG ARG 40 2HG ARG 40 -2.318 -9.546 9.454 304 2HG ARG 40 1HG ARG 40 -2.015 -9.086 7.778 305 1HD ARG 40 2HD ARG 40 0.041 -9.902 8.445 306 2HD ARG 40 1HD ARG 40 0.226 -8.166 8.691 307 1HH1 ARG 40 1HH1 ARG 40 2.127 -8.745 9.153 308 2HH1 ARG 40 2HH1 ARG 40 3.214 -8.861 10.495 309 1HH2 ARG 40 1HH2 ARG 40 0.725 -9.668 12.814 310 2HH2 ARG 40 2HH2 ARG 40 2.417 -9.385 12.576 311 H ARG 40 H ARG 40 -3.391 -5.232 9.632 312 HA ARG 40 HA ARG 40 -4.100 -7.546 8.104 313 HE ARG 40 HE ARG 40 -0.699 -9.511 11.038 314 1HB LYS 41 2HB LYS 41 -5.776 -6.498 13.416 315 2HB LYS 41 1HB LYS 41 -5.739 -7.905 14.469 316 1HG LYS 41 2HG LYS 41 -3.139 -7.711 14.048 317 2HG LYS 41 1HG LYS 41 -3.564 -6.029 13.727 318 1HD LYS 41 2HD LYS 41 -3.136 -5.986 15.996 319 2HD LYS 41 1HD LYS 41 -4.886 -6.218 15.962 320 1HE LYS 41 2HE LYS 41 -4.746 -8.244 16.901 321 2HE LYS 41 1HE LYS 41 -3.386 -8.718 15.884 322 H LYS 41 H LYS 41 -4.140 -6.677 11.503 323 HA LYS 41 HA LYS 41 -4.467 -9.125 12.706 324 1HZ LYS 41 3HZ LYS 41 -2.329 -6.876 17.590 325 2HZ LYS 41 2HZ LYS 41 -3.390 -7.752 18.574 326 3HZ LYS 41 1HZ LYS 41 -2.171 -8.555 17.721 327 1HG1 ILE 42 1HG1 ILE 42 -8.352 -5.775 9.242 328 2HG1 ILE 42 2HG1 ILE 42 -8.171 -7.394 8.575 329 H ILE 42 H ILE 42 -6.757 -7.312 10.803 330 HA ILE 42 HA ILE 42 -8.974 -9.033 11.569 331 HB ILE 42 HB ILE 42 -10.372 -7.634 10.242 332 1HG2 ILE 42 1HG2 ILE 42 -9.496 -6.738 12.417 333 2HG2 ILE 42 3HG2 ILE 42 -8.341 -5.789 11.482 334 3HG2 ILE 42 2HG2 ILE 42 -10.072 -5.517 11.284 335 1HD1 ILE 42 2HD1 ILE 42 -10.926 -6.489 8.557 336 2HD1 ILE 42 1HD1 ILE 42 -9.846 -5.435 7.643 337 3HD1 ILE 42 3HD1 ILE 42 -9.937 -7.153 7.256 338 1HA GLY 43 1HA GLY 43 -8.068 -10.782 7.459 339 2HA GLY 43 2HA GLY 43 -6.326 -10.711 7.691 340 H GLY 43 H GLY 43 -6.771 -8.546 8.894 341 1HB PHE 44 2HB PHE 44 -6.953 -5.681 6.266 342 2HB PHE 44 1HB PHE 44 -5.195 -5.730 6.302 343 H PHE 44 H PHE 44 -5.917 -7.999 7.240 344 HA PHE 44 HA PHE 44 -6.922 -7.485 4.545 345 HD1 PHE 44 HD1 PHE 44 -7.221 -6.091 3.252 346 HD2 PHE 44 HD2 PHE 44 -4.809 -3.501 5.611 347 HE1 PHE 44 HE1 PHE 44 -7.146 -4.478 1.395 348 HE2 PHE 44 HE2 PHE 44 -4.731 -1.881 3.761 349 HZ PHE 44 HZ PHE 44 -5.901 -2.368 1.649 350 1HB HIS 45 2HB HIS 45 -2.413 -10.675 3.394 351 2HB HIS 45 1HB HIS 45 -4.095 -10.902 3.855 352 H HIS 45 H HIS 45 -5.755 -9.029 3.368 353 HA HIS 45 HA HIS 45 -2.863 -8.495 3.185 354 HD1 HIS 45 HD1 HIS 45 -5.641 -12.043 2.178 355 HD2 HIS 45 HD2 HIS 45 -1.795 -11.421 0.725 356 HE1 HIS 45 HE1 HIS 45 -5.492 -13.389 0.061 357 HE2 HIS 45 HE2 HIS 45 -3.137 -13.056 -0.760 358 H VAL 46 H VAL 46 -2.010 -8.088 1.239 359 HA VAL 46 HA VAL 46 -3.401 -8.744 -1.205 360 HB VAL 46 HB VAL 46 -4.429 -6.788 -1.492 361 1HG1 VAL 46 2HG1 VAL 46 -3.323 -6.400 1.126 362 2HG1 VAL 46 1HG1 VAL 46 -3.347 -4.873 0.246 363 3HG1 VAL 46 3HG1 VAL 46 -4.836 -5.796 0.451 364 1HG2 VAL 46 2HG2 VAL 46 -2.452 -6.297 -2.842 365 2HG2 VAL 46 1HG2 VAL 46 -3.124 -4.831 -2.128 366 3HG2 VAL 46 3HG2 VAL 46 -1.675 -5.562 -1.440 367 1HB CYS 47 2HB CYS 47 0.087 -9.862 -4.777 368 2HB CYS 47 1HB CYS 47 1.168 -10.710 -3.676 369 H CYS 47 H CYS 47 -1.874 -9.479 -2.516 370 HA CYS 47 HA CYS 47 0.874 -9.208 -2.008 371 H ALA 48 H ALA 48 -1.061 -6.814 -2.968 372 HA ALA 48 HA ALA 48 0.859 -5.642 -4.850 373 1HB ALA 48 2HB ALA 48 -1.764 -5.739 -5.176 374 2HB ALA 48 3HB ALA 48 -0.814 -4.356 -5.724 375 3HB ALA 48 1HB ALA 48 -1.699 -4.273 -4.198 376 H ALA 49 H ALA 49 2.270 -4.210 -4.133 377 HA ALA 49 HA ALA 49 2.368 -3.420 -1.436 378 1HB ALA 49 2HB ALA 49 4.474 -3.135 -2.077 379 2HB ALA 49 1HB ALA 49 4.008 -3.153 -3.779 380 3HB ALA 49 3HB ALA 49 3.976 -1.640 -2.871 381 1HA GLY 50 2HA GLY 50 -0.015 0.018 -0.307 382 2HA GLY 50 1HA GLY 50 0.313 0.424 -1.984 383 H GLY 50 H GLY 50 1.942 -1.483 -0.422 384 1HB TRP 51 2HB TRP 51 1.574 4.590 -2.644 385 2HB TRP 51 1HB TRP 51 2.930 5.449 -1.917 386 H TRP 51 H TRP 51 1.287 2.308 -2.285 387 HA TRP 51 HA TRP 51 3.602 3.145 -0.955 388 HD1 TRP 51 HD1 TRP 51 2.025 3.343 -4.864 389 HE1 TRP 51 HE1 TRP 51 4.121 2.876 -6.288 390 HE3 TRP 51 HE3 TRP 51 5.612 5.016 -1.619 391 HZ2 TRP 51 HZ2 TRP 51 6.917 3.183 -6.071 392 HZ3 TRP 51 HZ3 TRP 51 7.972 4.896 -2.309 393 HH2 TRP 51 HH2 TRP 51 8.608 3.999 -4.489 394 1HB MET 52 2HB MET 52 2.188 4.090 4.450 395 2HB MET 52 1HB MET 52 1.040 3.550 3.234 396 1HG MET 52 2HG MET 52 2.379 1.809 2.546 397 2HG MET 52 1HG MET 52 3.852 2.567 3.147 398 H MET 52 H MET 52 3.822 3.724 1.086 399 HA MET 52 HA MET 52 1.849 5.509 2.296 400 1HE MET 52 2HE MET 52 3.699 -0.067 3.320 401 2HE MET 52 1HE MET 52 4.148 -0.449 4.982 402 3HE MET 52 3HE MET 52 2.556 -0.901 4.373 403 H ALA 53 H ALA 53 2.752 6.113 4.622 404 HA ALA 53 HA ALA 53 4.306 7.444 5.651 405 1HB ALA 53 2HB ALA 53 6.011 6.224 6.505 406 2HB ALA 53 1HB ALA 53 5.094 4.899 5.789 407 3HB ALA 53 3HB ALA 53 6.480 5.575 4.933 408 1HB LYS 54 2HB LYS 54 9.031 8.310 4.966 409 2HB LYS 54 1HB LYS 54 9.702 8.648 3.377 410 1HG LYS 54 2HG LYS 54 9.692 10.945 3.720 411 2HG LYS 54 1HG LYS 54 8.521 10.840 5.035 412 1HD LYS 54 2HD LYS 54 10.202 9.749 6.443 413 2HD LYS 54 1HD LYS 54 11.374 9.860 5.127 414 1HE LYS 54 2HE LYS 54 10.781 12.406 5.217 415 2HE LYS 54 1HE LYS 54 10.242 12.017 6.850 416 H LYS 54 H LYS 54 7.017 7.809 5.231 417 HA LYS 54 HA LYS 54 7.160 9.889 3.475 418 1HZ LYS 54 2HZ LYS 54 12.889 11.088 6.021 419 2HZ LYS 54 1HZ LYS 54 12.701 12.735 6.358 420 3HZ LYS 54 3HZ LYS 54 12.347 11.582 7.546 421 1HA GLY 55 1HA GLY 55 8.056 6.959 0.004 422 2HA GLY 55 2HA GLY 55 6.352 6.554 0.160 423 H GLY 55 H GLY 55 6.999 6.563 2.706 424 1HB ARG 56 2HB ARG 56 8.038 3.398 3.987 425 2HB ARG 56 1HB ARG 56 6.544 2.485 3.825 426 1HG ARG 56 2HG ARG 56 7.994 0.531 3.098 427 2HG ARG 56 1HG ARG 56 9.367 1.478 3.673 428 1HD ARG 56 2HD ARG 56 7.291 1.493 5.646 429 2HD ARG 56 1HD ARG 56 7.646 -0.169 5.175 430 1HH1 ARG 56 1HH1 ARG 56 7.445 2.264 7.099 431 2HH1 ARG 56 2HH1 ARG 56 8.368 2.742 8.484 432 1HH2 ARG 56 1HH2 ARG 56 11.236 0.974 7.543 433 2HH2 ARG 56 2HH2 ARG 56 10.524 2.009 8.736 434 H ARG 56 H ARG 56 6.724 4.815 2.450 435 HA ARG 56 HA ARG 56 8.483 2.698 1.537 436 HE ARG 56 HE ARG 56 10.009 0.350 5.724 437 H VAL 57 H VAL 57 7.873 0.856 0.530 438 HA VAL 57 HA VAL 57 4.995 0.529 -0.014 439 HB VAL 57 HB VAL 57 5.382 0.237 -2.197 440 1HG1 VAL 57 1HG1 VAL 57 7.964 1.414 -1.255 441 2HG1 VAL 57 3HG1 VAL 57 7.718 1.055 -2.964 442 3HG1 VAL 57 2HG1 VAL 57 6.640 2.177 -2.135 443 1HG2 VAL 57 2HG2 VAL 57 7.679 -1.493 -1.334 444 2HG2 VAL 57 1HG2 VAL 57 6.162 -1.969 -2.097 445 3HG2 VAL 57 3HG2 VAL 57 7.389 -1.112 -3.032 446 1HA GLY 58 2HA GLY 58 4.891 -3.240 2.119 447 2HA GLY 58 1HA GLY 58 5.619 -3.830 0.634 448 H GLY 58 H GLY 58 4.058 -1.427 0.282 449 1HB TYR 59 2HB TYR 59 1.594 -7.255 -1.188 450 2HB TYR 59 1HB TYR 59 2.021 -5.618 -1.675 451 H TYR 59 H TYR 59 4.270 -5.729 1.050 452 HA TYR 59 HA TYR 59 1.418 -5.346 0.559 453 HD1 TYR 59 HD1 TYR 59 4.454 -4.984 -1.827 454 HD2 TYR 59 HD2 TYR 59 3.187 -9.019 -1.287 455 HE1 TYR 59 HE1 TYR 59 6.653 -5.771 -2.585 456 HE2 TYR 59 HE2 TYR 59 5.382 -9.809 -2.057 457 HH TYR 59 HH TYR 59 7.854 -7.558 -3.214 458 1HB PRO 60 2HB PRO 60 -0.451 -8.112 4.829 459 2HB PRO 60 1HB PRO 60 1.004 -7.302 5.410 460 1HG PRO 60 2HG PRO 60 -1.096 -6.320 3.541 461 2HG PRO 60 1HG PRO 60 -0.182 -5.433 4.772 462 1HD PRO 60 2HD PRO 60 0.378 -5.235 2.141 463 2HD PRO 60 1HD PRO 60 1.638 -5.136 3.387 464 HA PRO 60 HA PRO 60 2.106 -8.517 3.834 465 1HG1 ILE 61 1HG1 ILE 61 1.664 -10.129 0.630 466 2HG1 ILE 61 2HG1 ILE 61 3.050 -11.207 0.760 467 H ILE 61 H ILE 61 1.897 -10.536 3.081 468 HA ILE 61 HA ILE 61 -0.621 -11.259 1.734 469 HB ILE 61 HB ILE 61 1.767 -12.975 1.362 470 1HG2 ILE 61 2HG2 ILE 61 -0.721 -13.005 0.358 471 2HG2 ILE 61 1HG2 ILE 61 0.088 -12.035 -0.873 472 3HG2 ILE 61 3HG2 ILE 61 0.678 -13.654 -0.499 473 1HD1 ILE 61 1HD1 ILE 61 1.140 -11.173 -1.560 474 2HD1 ILE 61 3HD1 ILE 61 2.674 -10.303 -1.513 475 3HD1 ILE 61 2HD1 ILE 61 2.658 -12.065 -1.438 476 H VAL 62 H VAL 62 -1.903 -12.494 2.893 477 HA VAL 62 HA VAL 62 -0.750 -14.252 4.946 478 HB VAL 62 HB VAL 62 -3.605 -13.315 4.618 479 1HG1 VAL 62 2HG1 VAL 62 -2.316 -15.306 6.366 480 2HG1 VAL 62 1HG1 VAL 62 -3.429 -14.191 7.160 481 3HG1 VAL 62 3HG1 VAL 62 -3.987 -15.187 5.817 482 1HG2 VAL 62 3HG2 VAL 62 -1.287 -12.120 5.883 483 2HG2 VAL 62 2HG2 VAL 62 -2.876 -11.429 5.554 484 3HG2 VAL 62 1HG2 VAL 62 -2.610 -12.368 7.023 485 1HB LYS 63 2HB LYS 63 -4.929 -15.195 1.744 486 2HB LYS 63 1HB LYS 63 -4.488 -15.615 0.096 487 1HG LYS 63 2HG LYS 63 -4.993 -17.940 0.509 488 2HG LYS 63 1HG LYS 63 -5.328 -17.591 2.207 489 1HD LYS 63 2HD LYS 63 -7.462 -17.445 1.506 490 2HD LYS 63 1HD LYS 63 -6.984 -15.826 0.994 491 1HE LYS 63 2HE LYS 63 -7.215 -16.331 -1.165 492 2HE LYS 63 1HE LYS 63 -6.332 -17.845 -0.986 493 H LYS 63 H LYS 63 -2.685 -14.167 2.049 494 HA LYS 63 HA LYS 63 -3.005 -17.091 2.163 495 1HZ LYS 63 2HZ LYS 63 -8.693 -18.373 0.221 496 2HZ LYS 63 1HZ LYS 63 -9.165 -17.378 -1.062 497 3HZ LYS 63 3HZ LYS 63 -8.294 -18.797 -1.367 498 1HB PRO 64 2HB PRO 64 1.038 -19.248 -0.793 499 2HB PRO 64 1HB PRO 64 1.699 -17.985 0.249 500 1HG PRO 64 2HG PRO 64 -0.465 -19.966 0.804 501 2HG PRO 64 1HG PRO 64 0.820 -19.377 1.872 502 1HD PRO 64 1HD PRO 64 -1.721 -18.489 2.051 503 2HD PRO 64 2HD PRO 64 -0.327 -17.443 2.395 504 HA PRO 64 HA PRO 64 0.335 -16.592 -0.929 505 1HA GLY 65 2HA GLY 65 -1.770 -18.013 -4.417 506 2HA GLY 65 1HA GLY 65 -0.900 -19.520 -4.176 507 H GLY 65 H GLY 65 0.626 -17.463 -3.044 508 1HB PRO 66 2HB PRO 66 -0.427 -18.344 -9.912 509 2HB PRO 66 1HB PRO 66 -0.086 -19.896 -9.140 510 1HG PRO 66 2HG PRO 66 -2.377 -18.018 -8.695 511 2HG PRO 66 1HG PRO 66 -2.391 -19.785 -8.839 512 1HD PRO 66 2HD PRO 66 -2.505 -18.512 -6.448 513 2HD PRO 66 1HD PRO 66 -1.724 -20.094 -6.654 514 HA PRO 66 HA PRO 66 1.339 -18.617 -7.870 515 1HB ASN 67 2HB ASN 67 0.941 -15.372 -10.785 516 2HB ASN 67 1HB ASN 67 0.201 -14.016 -9.938 517 1HD2 ASN 67 1HD2 ASN 67 2.783 -15.025 -12.033 518 2HD2 ASN 67 2HD2 ASN 67 3.246 -13.444 -12.555 519 H ASN 67 H ASN 67 2.400 -16.901 -8.664 520 HA ASN 67 HA ASN 67 2.955 -14.738 -9.108 521 1HB CYS 68 2HB CYS 68 -0.720 -14.642 -5.751 522 2HB CYS 68 1HB CYS 68 -0.419 -14.257 -4.060 523 H CYS 68 H CYS 68 1.861 -15.400 -6.462 524 HA CYS 68 HA CYS 68 1.358 -12.670 -5.589 525 1HA GLY 69 2HA GLY 69 2.085 -16.787 -2.238 526 2HA GLY 69 1HA GLY 69 2.410 -15.136 -1.729 527 H GLY 69 H GLY 69 1.074 -15.898 -4.101 528 1HB PHE 70 2HB PHE 70 6.266 -13.367 -1.492 529 2HB PHE 70 1HB PHE 70 7.847 -14.129 -1.632 530 H PHE 70 H PHE 70 4.458 -14.447 -1.738 531 HA PHE 70 HA PHE 70 6.414 -15.417 -3.589 532 HD1 PHE 70 HD1 PHE 70 8.917 -14.199 -3.955 533 HD2 PHE 70 HD2 PHE 70 5.646 -11.672 -2.948 534 HE1 PHE 70 HE1 PHE 70 9.448 -12.754 -5.873 535 HE2 PHE 70 HE2 PHE 70 6.170 -10.222 -4.865 536 HZ PHE 70 HZ PHE 70 8.074 -10.763 -6.332 537 1HA GLY 71 1HA GLY 71 7.583 -18.288 -0.315 538 2HA GLY 71 2HA GLY 71 5.997 -19.044 -0.406 539 H GLY 71 H GLY 71 5.108 -16.769 -0.873 540 1HB LYS 72 2HB LYS 72 8.012 -14.867 2.794 541 2HB LYS 72 1HB LYS 72 7.309 -14.747 4.402 542 1HG LYS 72 2HG LYS 72 8.521 -17.248 4.348 543 2HG LYS 72 1HG LYS 72 9.651 -16.176 3.519 544 1HD LYS 72 2HD LYS 72 9.136 -14.589 5.548 545 2HD LYS 72 1HD LYS 72 8.674 -16.098 6.335 546 1HE LYS 72 2HE LYS 72 10.809 -16.926 6.312 547 2HE LYS 72 1HE LYS 72 11.267 -16.000 4.883 548 H LYS 72 H LYS 72 6.981 -16.017 1.161 549 HA LYS 72 HA LYS 72 6.489 -17.220 3.781 550 1HZ LYS 72 1HZ LYS 72 10.643 -14.277 7.052 551 2HZ LYS 72 3HZ LYS 72 11.838 -15.386 7.503 552 3HZ LYS 72 2HZ LYS 72 12.073 -14.392 6.155 553 H THR 73 H THR 73 5.195 -16.083 5.364 554 HA THR 73 HA THR 73 2.979 -14.601 4.109 555 HB THR 73 HB THR 73 1.720 -15.339 6.238 556 HG1 THR 73 HG1 THR 73 4.105 -16.775 6.417 557 1HG2 THR 73 2HG2 THR 73 2.499 -17.150 3.972 558 2HG2 THR 73 1HG2 THR 73 1.355 -17.669 5.209 559 3HG2 THR 73 3HG2 THR 73 0.995 -16.261 4.210 560 1HA GLY 74 2HA GLY 74 4.201 -11.522 6.983 561 2HA GLY 74 1HA GLY 74 2.467 -11.227 6.924 562 H GLY 74 H GLY 74 2.669 -12.556 4.699 563 1HG1 ILE 75 1HG1 ILE 75 2.143 -5.702 5.596 564 2HG1 ILE 75 2HG1 ILE 75 1.966 -6.792 6.967 565 H ILE 75 H ILE 75 3.631 -8.977 7.060 566 HA ILE 75 HA ILE 75 3.103 -7.630 4.666 567 HB ILE 75 HB ILE 75 4.411 -6.863 7.230 568 1HG2 ILE 75 2HG2 ILE 75 4.681 -5.368 4.647 569 2HG2 ILE 75 1HG2 ILE 75 4.662 -4.519 6.194 570 3HG2 ILE 75 3HG2 ILE 75 5.910 -5.720 5.862 571 1HD1 ILE 75 2HD1 ILE 75 3.322 -4.908 8.203 572 2HD1 ILE 75 1HD1 ILE 75 2.654 -3.912 6.910 573 3HD1 ILE 75 3HD1 ILE 75 1.575 -4.802 7.984 574 1HG1 ILE 76 2HG1 ILE 76 4.254 -9.295 2.107 575 2HG1 ILE 76 1HG1 ILE 76 4.238 -9.644 0.383 576 H ILE 76 H ILE 76 4.206 -7.619 2.842 577 HA ILE 76 HA ILE 76 7.048 -8.304 2.858 578 HB ILE 76 HB ILE 76 5.580 -7.802 0.320 579 1HG2 ILE 76 2HG2 ILE 76 7.981 -8.402 0.407 580 2HG2 ILE 76 1HG2 ILE 76 7.530 -9.954 1.115 581 3HG2 ILE 76 3HG2 ILE 76 6.998 -9.540 -0.517 582 1HD1 ILE 76 1HD1 ILE 76 6.449 -10.899 1.810 583 2HD1 ILE 76 3HD1 ILE 76 4.852 -11.422 2.344 584 3HD1 ILE 76 2HD1 ILE 76 5.308 -11.574 0.647 585 1HB ASP 77 2HB ASP 77 6.633 -3.242 3.447 586 2HB ASP 77 1HB ASP 77 7.636 -4.055 4.644 587 H ASP 77 H ASP 77 7.934 -6.357 3.602 588 HA ASP 77 HA ASP 77 7.809 -4.157 1.650 589 1HB TYR 78 2HB TYR 78 11.688 -3.599 -0.698 590 2HB TYR 78 1HB TYR 78 13.217 -4.206 -0.075 591 H TYR 78 H TYR 78 9.707 -3.595 0.832 592 HA TYR 78 HA TYR 78 12.139 -4.611 2.118 593 HD1 TYR 78 HD1 TYR 78 13.089 -6.637 0.966 594 HD2 TYR 78 HD2 TYR 78 10.319 -5.058 -1.851 595 HE1 TYR 78 HE1 TYR 78 12.453 -8.924 0.319 596 HE2 TYR 78 HE2 TYR 78 9.675 -7.340 -2.505 597 HH TYR 78 HH TYR 78 11.120 -9.788 -2.308 598 1HA GLY 79 2HA GLY 79 12.650 -0.453 3.456 599 2HA GLY 79 1HA GLY 79 10.958 0.026 3.439 600 H GLY 79 H GLY 79 10.519 -2.107 2.735 601 1HG1 ILE 80 1HG1 ILE 80 11.627 3.973 2.930 602 2HG1 ILE 80 2HG1 ILE 80 12.484 5.503 2.786 603 H ILE 80 H ILE 80 12.278 2.069 2.807 604 HA ILE 80 HA ILE 80 11.599 2.879 0.293 605 HB ILE 80 HB ILE 80 13.949 3.827 1.933 606 1HG2 ILE 80 2HG2 ILE 80 12.686 4.946 -0.550 607 2HG2 ILE 80 1HG2 ILE 80 13.608 5.949 0.571 608 3HG2 ILE 80 3HG2 ILE 80 14.386 4.592 -0.243 609 1HD1 ILE 80 3HD1 ILE 80 10.726 4.746 0.538 610 2HD1 ILE 80 2HD1 ILE 80 9.950 5.192 2.057 611 3HD1 ILE 80 1HD1 ILE 80 11.040 6.324 1.257 612 1HB ARG 81 2HB ARG 81 12.770 1.719 -4.247 613 2HB ARG 81 1HB ARG 81 13.835 0.320 -4.222 614 1HG ARG 81 2HG ARG 81 11.980 0.230 -2.022 615 2HG ARG 81 1HG ARG 81 11.133 0.398 -3.561 616 1HD ARG 81 2HD ARG 81 13.151 -1.716 -2.822 617 2HD ARG 81 1HD ARG 81 11.418 -1.942 -3.056 618 1HH1 ARG 81 1HH1 ARG 81 11.619 -3.710 -3.702 619 2HH1 ARG 81 2HH1 ARG 81 11.612 -4.696 -5.127 620 1HH2 ARG 81 1HH2 ARG 81 12.854 -2.188 -7.221 621 2HH2 ARG 81 2HH2 ARG 81 12.315 -3.831 -7.126 622 H ARG 81 H ARG 81 12.282 2.483 -1.709 623 HA ARG 81 HA ARG 81 14.675 0.860 -2.082 624 HE ARG 81 HE ARG 81 12.859 -0.898 -5.341 625 1HB LEU 82 2HB LEU 82 17.462 3.452 -2.661 626 2HB LEU 82 1HB LEU 82 17.549 4.481 -4.075 627 H LEU 82 H LEU 82 14.708 3.790 -1.442 628 HA LEU 82 HA LEU 82 15.884 5.652 -2.009 629 HG LEU 82 HG LEU 82 19.398 4.923 -2.548 630 1HD1 LEU 82 3HD1 LEU 82 17.645 6.826 -3.636 631 2HD1 LEU 82 2HD1 LEU 82 18.089 7.418 -2.034 632 3HD1 LEU 82 1HD1 LEU 82 19.344 7.037 -3.214 633 1HD2 LEU 82 2HD2 LEU 82 17.287 4.836 -0.577 634 2HD2 LEU 82 1HD2 LEU 82 19.034 4.725 -0.365 635 3HD2 LEU 82 3HD2 LEU 82 18.252 6.305 -0.430 636 1HB ASN 83 2HB ASN 83 15.036 5.171 -6.890 637 2HB ASN 83 1HB ASN 83 13.817 3.911 -6.721 638 1HD2 ASN 83 2HD2 ASN 83 12.814 3.588 -8.558 639 2HD2 ASN 83 1HD2 ASN 83 12.315 4.804 -9.679 640 H ASN 83 H ASN 83 13.600 4.561 -3.773 641 HA ASN 83 HA ASN 83 13.636 6.731 -5.636 642 1HB ARG 84 2HB ARG 84 8.150 7.592 -4.221 643 2HB ARG 84 1HB ARG 84 9.661 7.610 -3.322 644 1HG ARG 84 2HG ARG 84 10.599 9.064 -5.151 645 2HG ARG 84 1HG ARG 84 8.951 9.200 -5.768 646 1HD ARG 84 2HD ARG 84 8.202 10.300 -3.826 647 2HD ARG 84 1HD ARG 84 9.651 9.859 -2.923 648 1HH1 ARG 84 1HH1 ARG 84 10.532 10.847 -1.919 649 2HH1 ARG 84 2HH1 ARG 84 11.522 12.241 -1.644 650 1HH2 ARG 84 1HH2 ARG 84 11.029 13.583 -4.833 651 2HH2 ARG 84 2HH2 ARG 84 11.804 13.795 -3.299 652 H ARG 84 H ARG 84 11.647 7.427 -5.154 653 HA ARG 84 HA ARG 84 9.479 5.579 -4.665 654 HE ARG 84 HE ARG 84 9.726 11.743 -5.187 655 1HB SER 85 2HB SER 85 11.302 6.464 -9.341 656 2HB SER 85 1HB SER 85 10.447 5.662 -10.659 657 H SER 85 H SER 85 10.652 5.558 -7.315 658 HA SER 85 HA SER 85 8.437 6.599 -8.943 659 HG SER 85 HG SER 85 9.625 8.197 -9.751 660 1HB GLU 86 2HB GLU 86 7.576 1.586 -6.597 661 2HB GLU 86 1HB GLU 86 8.588 0.410 -7.421 662 1HG GLU 86 2HG GLU 86 9.770 2.939 -6.362 663 2HG GLU 86 1HG GLU 86 9.468 1.569 -5.294 664 H GLU 86 H GLU 86 9.062 3.909 -7.359 665 HA GLU 86 HA GLU 86 9.010 1.819 -9.215 666 1HB ARG 87 2HB ARG 87 5.467 -0.820 -11.229 667 2HB ARG 87 1HB ARG 87 4.197 0.280 -11.743 668 1HG ARG 87 2HG ARG 87 5.624 1.252 -13.118 669 2HG ARG 87 1HG ARG 87 6.595 1.757 -11.734 670 1HD ARG 87 2HD ARG 87 8.222 0.472 -12.543 671 2HD ARG 87 1HD ARG 87 7.241 -0.915 -12.074 672 1HH1 ARG 87 1HH1 ARG 87 9.547 0.082 -13.565 673 2HH1 ARG 87 2HH1 ARG 87 10.160 -0.234 -15.153 674 1HH2 ARG 87 1HH2 ARG 87 7.040 -1.042 -16.510 675 2HH2 ARG 87 2HH2 ARG 87 8.734 -0.873 -16.829 676 H ARG 87 H ARG 87 7.095 0.243 -9.343 677 HA ARG 87 HA ARG 87 4.662 1.790 -9.950 678 HE ARG 87 HE ARG 87 6.245 -0.624 -14.416 679 1HB TRP 88 2HB TRP 88 3.909 0.849 -5.347 680 2HB TRP 88 1HB TRP 88 2.975 -0.548 -4.831 681 H TRP 88 H TRP 88 3.921 1.472 -7.785 682 HA TRP 88 HA TRP 88 2.947 -1.264 -7.275 683 HD1 TRP 88 HD1 TRP 88 6.373 0.503 -4.897 684 HE1 TRP 88 HE1 TRP 88 8.016 -1.478 -4.938 685 HE3 TRP 88 HE3 TRP 88 3.133 -3.199 -6.269 686 HZ2 TRP 88 HZ2 TRP 88 7.941 -4.251 -5.475 687 HZ3 TRP 88 HZ3 TRP 88 3.996 -5.489 -6.525 688 HH2 TRP 88 HH2 TRP 88 6.352 -6.002 -6.138 689 1HB ASP 89 2HB ASP 89 -0.901 -1.198 -4.283 690 2HB ASP 89 1HB ASP 89 -2.320 -0.281 -4.785 691 H ASP 89 H ASP 89 1.325 -0.552 -5.078 692 HA ASP 89 HA ASP 89 -0.829 0.892 -6.465 693 H ALA 90 H ALA 90 -2.192 0.918 -3.696 694 HA ALA 90 HA ALA 90 -0.572 2.777 -2.200 695 1HB ALA 90 2HB ALA 90 -1.285 4.363 -3.778 696 2HB ALA 90 3HB ALA 90 -2.322 4.606 -2.372 697 3HB ALA 90 1HB ALA 90 -2.935 3.741 -3.781 698 1HB TYR 91 2HB TYR 91 -0.731 1.446 1.880 699 2HB TYR 91 1HB TYR 91 -2.093 1.264 2.978 700 H TYR 91 H TYR 91 -0.946 2.365 -0.142 701 HA TYR 91 HA TYR 91 -3.442 1.098 0.680 702 HD1 TYR 91 HD1 TYR 91 -3.783 -0.736 1.761 703 HD2 TYR 91 HD2 TYR 91 0.469 -0.506 1.841 704 HE1 TYR 91 HE1 TYR 91 -3.647 -3.178 1.530 705 HE2 TYR 91 HE2 TYR 91 0.611 -2.946 1.602 706 HH TYR 91 HH TYR 91 -1.608 -4.992 2.267 707 1HB CYS 92 2HB CYS 92 -6.389 4.305 0.041 708 2HB CYS 92 1HB CYS 92 -6.897 5.468 1.255 709 H CYS 92 H CYS 92 -4.537 3.213 0.109 710 HA CYS 92 HA CYS 92 -4.156 5.610 1.390 711 1HB TYR 93 2HB TYR 93 -4.446 5.165 5.542 712 2HB TYR 93 1HB TYR 93 -4.770 6.892 5.654 713 H TYR 93 H TYR 93 -6.050 6.510 2.871 714 HA TYR 93 HA TYR 93 -6.869 4.809 5.018 715 HD1 TYR 93 HD1 TYR 93 -6.240 7.759 7.462 716 HD2 TYR 93 HD2 TYR 93 -5.010 3.690 7.330 717 HE1 TYR 93 HE1 TYR 93 -6.879 7.496 9.822 718 HE2 TYR 93 HE2 TYR 93 -5.646 3.413 9.688 719 HH TYR 93 HH TYR 93 -7.594 5.468 11.321 720 1HB ASN 94 2HB ASN 94 -10.328 6.946 4.570 721 2HB ASN 94 1HB ASN 94 -11.212 8.173 5.471 722 1HD2 ASN 94 2HD2 ASN 94 -9.995 10.357 5.493 723 2HD2 ASN 94 1HD2 ASN 94 -9.430 10.893 3.948 724 H ASN 94 H ASN 94 -8.284 5.854 6.471 725 HA ASN 94 HA ASN 94 -8.769 8.641 6.452 726 1HB PRO 95 2HB PRO 95 -11.253 9.473 11.220 727 2HB PRO 95 1HB PRO 95 -9.609 8.855 11.413 728 1HG PRO 95 2HG PRO 95 -10.692 10.767 9.389 729 2HG PRO 95 1HG PRO 95 -9.135 10.794 10.238 730 1HD PRO 95 2HD PRO 95 -9.345 9.973 7.688 731 2HD PRO 95 1HD PRO 95 -8.192 9.230 8.817 732 HA PRO 95 HA PRO 95 -10.382 7.017 10.299 733 1HB HIS 96 2HB HIS 96 -13.742 10.266 7.550 734 2HB HIS 96 1HB HIS 96 -15.274 9.616 6.981 735 H HIS 96 H HIS 96 -12.003 8.547 7.739 736 HA HIS 96 HA HIS 96 -14.611 7.775 8.869 737 HD1 HIS 96 HD1 HIS 96 -17.221 10.467 8.233 738 HD2 HIS 96 HD2 HIS 96 -13.793 10.395 10.581 739 HE1 HIS 96 HE1 HIS 96 -17.909 11.420 10.455 740 HE2 HIS 96 HE2 HIS 96 -15.796 11.452 11.829 741 H ALA 97 H ALA 97 -12.495 6.506 7.021 742 HA ALA 97 HA ALA 97 -13.860 6.215 4.504 743 1HB ALA 97 1HB ALA 97 -12.062 4.331 4.272 744 2HB ALA 97 2HB ALA 97 -11.364 5.094 5.700 745 3HB ALA 97 3HB ALA 97 -11.579 6.027 4.219 746 1HB LYS 98 2HB LYS 98 -16.276 4.547 8.445 747 2HB LYS 98 1HB LYS 98 -17.820 3.811 8.036 748 1HG LYS 98 2HG LYS 98 -16.600 1.571 8.289 749 2HG LYS 98 1HG LYS 98 -15.343 2.507 9.101 750 1HD LYS 98 2HD LYS 98 -17.376 3.447 10.475 751 2HD LYS 98 1HD LYS 98 -18.144 1.947 9.954 752 1HE LYS 98 2HE LYS 98 -15.425 1.595 10.970 753 2HE LYS 98 1HE LYS 98 -16.557 2.230 12.164 754 H LYS 98 H LYS 98 -15.657 5.567 6.421 755 HA LYS 98 HA LYS 98 -15.765 2.628 6.426 756 1HZ LYS 98 3HZ LYS 98 -17.571 0.022 10.602 757 2HZ LYS 98 2HZ LYS 98 -16.255 -0.372 11.588 758 3HZ LYS 98 1HZ LYS 98 -17.651 0.296 12.269 No H/Q in entry = 758 Start of MODEL 17 1 1HA GLY 1 2HA GLY 1 -9.252 2.081 8.793 2 2HA GLY 1 1HA GLY 1 -10.156 3.479 8.232 3 H1 GLY 1 1H GLY 1 -11.036 1.187 6.853 4 H2 GLY 1 3H GLY 1 -11.066 0.873 8.515 5 H3 GLY 1 2H GLY 1 -11.908 2.200 7.888 6 H VAL 2 H VAL 2 -7.567 1.427 7.616 7 HA VAL 2 HA VAL 2 -6.855 2.875 5.246 8 HB VAL 2 HB VAL 2 -4.996 2.342 6.533 9 1HG1 VAL 2 1HG1 VAL 2 -6.546 0.062 7.286 10 2HG1 VAL 2 3HG1 VAL 2 -4.927 -0.459 6.821 11 3HG1 VAL 2 2HG1 VAL 2 -5.133 0.758 8.081 12 1HG2 VAL 2 1HG2 VAL 2 -5.124 1.371 3.987 13 2HG2 VAL 2 3HG2 VAL 2 -3.658 1.469 4.962 14 3HG2 VAL 2 2HG2 VAL 2 -4.568 -0.039 4.887 15 1HB TYR 3 2HB TYR 3 -9.392 0.656 0.706 16 2HB TYR 3 1HB TYR 3 -10.022 0.722 2.346 17 H TYR 3 H TYR 3 -7.203 2.337 3.187 18 HA TYR 3 HA TYR 3 -8.009 -0.428 2.594 19 HD1 TYR 3 HD1 TYR 3 -8.863 2.959 3.622 20 HD2 TYR 3 HD2 TYR 3 -9.880 2.547 -0.488 21 HE1 TYR 3 HE1 TYR 3 -9.092 5.402 3.440 22 HE2 TYR 3 HE2 TYR 3 -10.102 4.986 -0.684 23 HH TYR 3 HH TYR 3 -9.693 7.103 2.133 24 1HB HIS 4 2HB HIS 4 -4.577 -2.066 -1.017 25 2HB HIS 4 1HB HIS 4 -6.099 -2.583 -0.307 26 H HIS 4 H HIS 4 -7.696 -1.054 0.325 27 HA HIS 4 HA HIS 4 -5.176 0.058 -0.673 28 HD1 HIS 4 HD1 HIS 4 -8.085 -3.036 -2.017 29 HD2 HIS 4 HD2 HIS 4 -4.330 -2.507 -3.719 30 HE1 HIS 4 HE1 HIS 4 -8.282 -3.911 -4.366 31 HE2 HIS 4 HE2 HIS 4 -6.013 -3.532 -5.394 32 1HB ARG 5 2HB ARG 5 -6.337 3.389 -3.256 33 2HB ARG 5 1HB ARG 5 -7.163 3.330 -4.806 34 1HG ARG 5 2HG ARG 5 -8.324 2.009 -2.382 35 2HG ARG 5 1HG ARG 5 -8.555 3.730 -2.695 36 1HD ARG 5 2HD ARG 5 -9.214 2.761 -5.100 37 2HD ARG 5 1HD ARG 5 -9.656 1.374 -4.106 38 1HH1 ARG 5 1HH1 ARG 5 -11.088 0.623 -3.785 39 2HH1 ARG 5 2HH1 ARG 5 -12.759 0.649 -3.333 40 1HH2 ARG 5 1HH2 ARG 5 -12.938 4.131 -3.083 41 2HH2 ARG 5 2HH2 ARG 5 -13.811 2.643 -2.935 42 H ARG 5 H ARG 5 -5.032 1.066 -2.581 43 HA ARG 5 HA ARG 5 -7.182 0.794 -4.537 44 HE ARG 5 HE ARG 5 -10.735 4.086 -3.679 45 1HB GLU 6 2HB GLU 6 -4.304 0.956 -9.413 46 2HB GLU 6 1HB GLU 6 -5.433 0.048 -8.419 47 1HG GLU 6 2HG GLU 6 -5.991 2.649 -9.825 48 2HG GLU 6 1HG GLU 6 -6.564 1.052 -10.305 49 H GLU 6 H GLU 6 -6.615 1.713 -6.645 50 HA GLU 6 HA GLU 6 -3.749 1.406 -7.140 51 H ALA 7 H ALA 7 -3.410 2.737 -9.475 52 HA ALA 7 HA ALA 7 -3.003 5.398 -8.618 53 1HB ALA 7 2HB ALA 7 -2.240 5.814 -10.908 54 2HB ALA 7 1HB ALA 7 -1.548 4.330 -10.249 55 3HB ALA 7 3HB ALA 7 -2.880 4.247 -11.401 56 1HB ARG 8 2HB ARG 8 -6.057 9.058 -12.419 57 2HB ARG 8 1HB ARG 8 -4.664 9.350 -11.387 58 1HG ARG 8 2HG ARG 8 -3.292 7.936 -12.634 59 2HG ARG 8 1HG ARG 8 -4.663 7.144 -13.413 60 1HD ARG 8 2HD ARG 8 -3.841 8.530 -15.083 61 2HD ARG 8 1HD ARG 8 -5.165 9.472 -14.398 62 1HH1 ARG 8 1HH1 ARG 8 -3.492 9.863 -16.407 63 2HH1 ARG 8 2HH1 ARG 8 -2.411 11.139 -16.857 64 1HH2 ARG 8 1HH2 ARG 8 -1.657 12.054 -13.569 65 2HH2 ARG 8 2HH2 ARG 8 -1.367 12.384 -15.245 66 H ARG 8 H ARG 8 -3.641 7.031 -10.696 67 HA ARG 8 HA ARG 8 -6.135 7.979 -10.131 68 HE ARG 8 HE ARG 8 -3.083 10.371 -12.987 69 1HB SER 9 2HB SER 9 -6.993 6.246 -14.685 70 2HB SER 9 1HB SER 9 -7.514 4.666 -15.269 71 H SER 9 H SER 9 -5.284 5.536 -12.532 72 HA SER 9 HA SER 9 -8.010 4.577 -12.531 73 HG SER 9 HG SER 9 -9.369 5.415 -13.609 74 1HA GLY 10 2HA GLY 10 -3.595 2.350 -14.187 75 2HA GLY 10 1HA GLY 10 -5.077 1.428 -13.986 76 H GLY 10 H GLY 10 -4.675 4.178 -12.989 77 1HB LYS 11 2HB LYS 11 -4.817 -1.470 -11.047 78 2HB LYS 11 1HB LYS 11 -3.474 -2.457 -11.604 79 1HG LYS 11 2HG LYS 11 -3.139 -3.228 -9.558 80 2HG LYS 11 1HG LYS 11 -2.953 -1.587 -8.934 81 1HD LYS 11 2HD LYS 11 -4.790 -2.097 -7.737 82 2HD LYS 11 1HD LYS 11 -5.638 -1.706 -9.235 83 1HE LYS 11 2HE LYS 11 -5.248 -4.204 -9.811 84 2HE LYS 11 1HE LYS 11 -4.978 -4.385 -8.078 85 H LYS 11 H LYS 11 -3.591 -0.209 -13.162 86 HA LYS 11 HA LYS 11 -3.028 0.217 -10.305 87 1HZ LYS 11 3HZ LYS 11 -7.368 -2.927 -8.872 88 2HZ LYS 11 2HZ LYS 11 -7.366 -4.589 -9.189 89 3HZ LYS 11 1HZ LYS 11 -7.141 -4.030 -7.608 90 1HB TYR 12 2HB TYR 12 -0.092 -3.091 -11.207 91 2HB TYR 12 1HB TYR 12 1.638 -2.858 -11.424 92 H TYR 12 H TYR 12 -1.160 -0.770 -9.407 93 HA TYR 12 HA TYR 12 1.097 -1.122 -9.374 94 HD1 TYR 12 HD1 TYR 12 0.240 -2.353 -8.104 95 HD2 TYR 12 HD2 TYR 12 1.988 -5.193 -10.742 96 HE1 TYR 12 HE1 TYR 12 0.678 -3.844 -6.197 97 HE2 TYR 12 HE2 TYR 12 2.431 -6.694 -8.845 98 HH TYR 12 HH TYR 12 2.008 -5.672 -5.559 99 1HB LYS 13 2HB LYS 13 1.908 2.549 -14.029 100 2HB LYS 13 1HB LYS 13 1.534 0.841 -13.846 101 1HG LYS 13 2HG LYS 13 -0.606 1.252 -13.087 102 2HG LYS 13 1HG LYS 13 -0.216 2.894 -12.567 103 1HD LYS 13 2HD LYS 13 0.254 2.724 -15.362 104 2HD LYS 13 1HD LYS 13 -1.337 2.032 -15.033 105 1HE LYS 13 2HE LYS 13 -2.024 4.171 -15.125 106 2HE LYS 13 1HE LYS 13 -1.413 4.242 -13.472 107 H LYS 13 H LYS 13 0.989 1.249 -10.326 108 HA LYS 13 HA LYS 13 3.127 1.458 -12.156 109 1HZ LYS 13 1HZ LYS 13 0.642 4.707 -15.402 110 2HZ LYS 13 3HZ LYS 13 -0.623 5.821 -15.553 111 3HZ LYS 13 2HZ LYS 13 0.180 5.648 -14.075 112 1HB LEU 14 2HB LEU 14 0.584 5.866 -8.294 113 2HB LEU 14 1HB LEU 14 -0.311 4.835 -9.383 114 H LEU 14 H LEU 14 1.508 2.615 -9.678 115 HA LEU 14 HA LEU 14 1.807 5.444 -10.360 116 HG LEU 14 HG LEU 14 1.052 3.057 -7.749 117 1HD1 LEU 14 3HD1 LEU 14 0.611 5.591 -6.365 118 2HD1 LEU 14 2HD1 LEU 14 -0.081 4.192 -5.543 119 3HD1 LEU 14 1HD1 LEU 14 1.638 4.223 -5.935 120 1HD2 LEU 14 3HD2 LEU 14 -1.517 3.543 -8.582 121 2HD2 LEU 14 2HD2 LEU 14 -1.011 2.233 -7.516 122 3HD2 LEU 14 1HD2 LEU 14 -1.630 3.736 -6.834 123 H THR 15 H THR 15 2.637 6.830 -8.481 124 HA THR 15 HA THR 15 5.038 5.531 -7.358 125 HB THR 15 HB THR 15 6.231 7.601 -7.551 126 HG1 THR 15 HG1 THR 15 5.124 9.450 -8.492 127 1HG2 THR 15 1HG2 THR 15 4.686 6.980 -10.070 128 2HG2 THR 15 3HG2 THR 15 6.111 8.018 -10.010 129 3HG2 THR 15 2HG2 THR 15 6.245 6.313 -9.582 130 1HB TYR 16 2HB TYR 16 6.570 7.620 -3.290 131 2HB TYR 16 1HB TYR 16 6.487 9.256 -3.936 132 H TYR 16 H TYR 16 5.764 7.865 -5.845 133 HA TYR 16 HA TYR 16 4.135 7.396 -3.512 134 HD1 TYR 16 HD1 TYR 16 5.134 7.183 -1.144 135 HD2 TYR 16 HD2 TYR 16 6.346 11.041 -2.464 136 HE1 TYR 16 HE1 TYR 16 4.806 8.056 1.129 137 HE2 TYR 16 HE2 TYR 16 6.024 11.926 -0.193 138 HH TYR 16 HH TYR 16 4.958 11.461 1.832 139 H ALA 17 H ALA 17 5.110 10.308 -5.327 140 HA ALA 17 HA ALA 17 3.310 12.058 -4.092 141 1HB ALA 17 3HB ALA 17 5.247 12.750 -5.491 142 2HB ALA 17 2HB ALA 17 4.343 12.249 -6.920 143 3HB ALA 17 1HB ALA 17 3.744 13.571 -5.917 144 1HB GLU 18 2HB GLU 18 1.995 8.210 -7.957 145 2HB GLU 18 1HB GLU 18 0.350 8.295 -8.540 146 1HG GLU 18 2HG GLU 18 0.905 9.664 -10.239 147 2HG GLU 18 1HG GLU 18 2.192 10.455 -9.338 148 H GLU 18 H GLU 18 2.948 9.806 -6.731 149 HA GLU 18 HA GLU 18 0.437 10.751 -7.669 150 H ALA 19 H ALA 19 1.266 7.803 -5.929 151 HA ALA 19 HA ALA 19 -1.136 6.838 -5.181 152 1HB ALA 19 3HB ALA 19 0.297 5.449 -4.198 153 2HB ALA 19 1HB ALA 19 0.357 6.580 -2.847 154 3HB ALA 19 2HB ALA 19 1.549 6.690 -4.142 155 1HB LYS 20 2HB LYS 20 1.164 10.791 -1.795 156 2HB LYS 20 1HB LYS 20 0.364 12.067 -2.698 157 1HG LYS 20 2HG LYS 20 -0.959 12.638 -0.722 158 2HG LYS 20 1HG LYS 20 -0.148 11.358 0.184 159 1HD LYS 20 2HD LYS 20 1.881 12.924 -0.979 160 2HD LYS 20 1HD LYS 20 0.703 14.051 -0.303 161 1HE LYS 20 2HE LYS 20 1.840 11.719 1.227 162 2HE LYS 20 1HE LYS 20 2.542 13.336 1.260 163 H LYS 20 H LYS 20 0.580 9.474 -3.561 164 HA LYS 20 HA LYS 20 -1.199 9.834 -1.440 165 1HZ LYS 20 3HZ LYS 20 0.023 13.910 1.838 166 2HZ LYS 20 2HZ LYS 20 0.095 12.351 2.486 167 3HZ LYS 20 1HZ LYS 20 1.174 13.538 3.022 168 H ALA 21 H ALA 21 -0.945 11.531 -4.544 169 HA ALA 21 HA ALA 21 -3.105 13.269 -4.200 170 1HB ALA 21 1HB ALA 21 -3.158 13.013 -6.840 171 2HB ALA 21 2HB ALA 21 -1.615 12.214 -6.542 172 3HB ALA 21 3HB ALA 21 -1.863 13.878 -6.013 173 H VAL 22 H VAL 22 -2.982 9.982 -5.486 174 HA VAL 22 HA VAL 22 -5.608 9.756 -6.386 175 HB VAL 22 HB VAL 22 -3.484 7.874 -5.562 176 1HG1 VAL 22 2HG1 VAL 22 -5.369 7.016 -4.285 177 2HG1 VAL 22 1HG1 VAL 22 -6.362 7.001 -5.744 178 3HG1 VAL 22 3HG1 VAL 22 -4.963 5.934 -5.618 179 1HG2 VAL 22 3HG2 VAL 22 -3.757 8.618 -7.871 180 2HG2 VAL 22 2HG2 VAL 22 -3.999 6.876 -7.724 181 3HG2 VAL 22 1HG2 VAL 22 -5.389 7.948 -7.897 182 1HB CYS 23 2HB CYS 23 -3.886 9.246 -1.119 183 2HB CYS 23 1HB CYS 23 -5.135 9.576 0.076 184 H CYS 23 H CYS 23 -4.220 9.338 -3.181 185 HA CYS 23 HA CYS 23 -6.547 8.320 -1.927 186 1HB GLU 24 2HB GLU 24 -5.122 13.891 -2.412 187 2HB GLU 24 1HB GLU 24 -6.187 14.930 -1.477 188 1HG GLU 24 2HG GLU 24 -5.126 14.376 0.546 189 2HG GLU 24 1HG GLU 24 -4.283 13.009 -0.182 190 H GLU 24 H GLU 24 -5.056 11.550 -1.814 191 HA GLU 24 HA GLU 24 -7.059 12.826 -0.364 192 1HB PHE 25 2HB PHE 25 -7.410 13.072 -6.002 193 2HB PHE 25 1HB PHE 25 -7.890 11.378 -6.014 194 H PHE 25 H PHE 25 -7.035 11.800 -3.650 195 HA PHE 25 HA PHE 25 -9.252 13.537 -4.391 196 HD1 PHE 25 HD1 PHE 25 -9.034 14.798 -6.835 197 HD2 PHE 25 HD2 PHE 25 -9.634 10.621 -7.384 198 HE1 PHE 25 HE1 PHE 25 -10.646 15.270 -8.632 199 HE2 PHE 25 HE2 PHE 25 -11.247 11.085 -9.183 200 HZ PHE 25 HZ PHE 25 -11.756 13.412 -9.810 201 1HB GLU 26 2HB GLU 26 -8.859 8.034 -3.181 202 2HB GLU 26 1HB GLU 26 -10.414 7.245 -2.971 203 1HG GLU 26 2HG GLU 26 -10.698 7.852 -5.512 204 2HG GLU 26 1HG GLU 26 -8.936 7.892 -5.464 205 H GLU 26 H GLU 26 -8.651 10.281 -3.371 206 HA GLU 26 HA GLU 26 -11.343 9.423 -4.104 207 1HA GLY 27 1HA GLY 27 -12.215 10.383 0.143 208 2HA GLY 27 2HA GLY 27 -11.149 11.770 0.309 209 H GLY 27 H GLY 27 -10.067 11.133 -1.661 210 1HA GLY 28 2HA GLY 28 -8.328 8.664 2.119 211 2HA GLY 28 1HA GLY 28 -8.535 10.014 3.231 212 H GLY 28 H GLY 28 -8.802 11.143 0.753 213 1HB HIS 29 2HB HIS 29 -3.379 10.242 4.362 214 2HB HIS 29 1HB HIS 29 -3.475 11.552 3.189 215 H HIS 29 H HIS 29 -6.173 8.743 3.304 216 HA HIS 29 HA HIS 29 -4.292 10.189 1.605 217 HD1 HIS 29 HD1 HIS 29 -5.728 9.717 5.633 218 HD2 HIS 29 HD2 HIS 29 -5.400 13.395 3.726 219 HE1 HIS 29 HE1 HIS 29 -7.540 11.152 6.623 220 HE2 HIS 29 HE2 HIS 29 -7.262 13.400 5.521 221 1HB LEU 30 2HB LEU 30 0.163 8.777 2.112 222 2HB LEU 30 1HB LEU 30 0.636 7.092 2.164 223 H LEU 30 H LEU 30 -2.011 9.425 1.999 224 HA LEU 30 HA LEU 30 -1.896 6.623 1.792 225 HG LEU 30 HG LEU 30 -0.630 8.559 -0.147 226 1HD1 LEU 30 3HD1 LEU 30 2.000 8.359 0.594 227 2HD1 LEU 30 2HD1 LEU 30 1.821 7.033 -0.554 228 3HD1 LEU 30 1HD1 LEU 30 1.414 8.679 -1.038 229 1HD2 LEU 30 3HD2 LEU 30 -0.422 5.664 0.443 230 2HD2 LEU 30 2HD2 LEU 30 -1.629 6.550 -0.490 231 3HD2 LEU 30 1HD2 LEU 30 -0.057 6.186 -1.202 232 H ALA 31 H ALA 31 -2.070 5.159 3.349 233 HA ALA 31 HA ALA 31 -2.079 5.786 6.098 234 1HB ALA 31 3HB ALA 31 -2.222 3.300 4.498 235 2HB ALA 31 2HB ALA 31 -1.780 3.151 6.200 236 3HB ALA 31 1HB ALA 31 -3.307 3.911 5.746 237 H THR 32 H THR 32 -0.675 3.776 7.327 238 HA THR 32 HA THR 32 2.138 4.312 6.663 239 HB THR 32 HB THR 32 2.670 5.162 8.677 240 HG1 THR 32 HG1 THR 32 0.642 3.569 9.894 241 1HG2 THR 32 2HG2 THR 32 0.279 6.146 7.856 242 2HG2 THR 32 1HG2 THR 32 -0.117 5.629 9.495 243 3HG2 THR 32 3HG2 THR 32 1.194 6.777 9.226 244 1HB TYR 33 2HB TYR 33 5.321 1.294 7.825 245 2HB TYR 33 1HB TYR 33 4.971 0.964 9.515 246 H TYR 33 H TYR 33 3.623 2.824 7.942 247 HA TYR 33 HA TYR 33 3.055 0.162 7.337 248 HD1 TYR 33 HD1 TYR 33 5.554 -0.627 6.226 249 HD2 TYR 33 HD2 TYR 33 5.276 -1.194 10.434 250 HE1 TYR 33 HE1 TYR 33 6.475 -2.893 5.976 251 HE2 TYR 33 HE2 TYR 33 6.197 -3.462 10.194 252 HH TYR 33 HH TYR 33 7.111 -4.942 8.799 253 1HB LYS 34 2HB LYS 34 2.729 2.334 12.473 254 2HB LYS 34 1HB LYS 34 1.054 2.106 12.945 255 1HG LYS 34 2HG LYS 34 1.633 0.533 14.606 256 2HG LYS 34 1HG LYS 34 3.279 0.382 13.989 257 1HD LYS 34 2HD LYS 34 3.655 1.783 15.754 258 2HD LYS 34 1HD LYS 34 3.332 2.973 14.492 259 1HE LYS 34 2HE LYS 34 1.169 3.390 15.272 260 2HE LYS 34 1HE LYS 34 1.126 1.901 16.216 261 H LYS 34 H LYS 34 3.082 1.763 10.512 262 HA LYS 34 HA LYS 34 2.269 -0.384 12.065 263 1HZ LYS 34 3HZ LYS 34 3.236 3.316 17.238 264 2HZ LYS 34 2HZ LYS 34 2.047 4.489 16.972 265 3HZ LYS 34 1HZ LYS 34 1.707 3.145 17.941 266 1HB GLN 35 2HB GLN 35 -1.497 2.509 8.692 267 2HB GLN 35 1HB GLN 35 -3.120 2.346 9.343 268 1HG GLN 35 2HG GLN 35 -2.457 3.654 11.306 269 2HG GLN 35 1HG GLN 35 -0.844 3.842 10.619 270 1HE2 GLN 35 1HE2 GLN 35 -2.856 5.848 11.331 271 2HE2 GLN 35 2HE2 GLN 35 -3.145 6.759 9.891 272 H GLN 35 H GLN 35 0.268 2.066 10.440 273 HA GLN 35 HA GLN 35 -2.221 1.116 11.277 274 1HB LEU 36 2HB LEU 36 0.865 -0.914 7.164 275 2HB LEU 36 1HB LEU 36 0.623 -2.643 7.024 276 H LEU 36 H LEU 36 -0.108 0.133 8.655 277 HA LEU 36 HA LEU 36 -1.948 -1.501 7.269 278 HG LEU 36 HG LEU 36 0.719 -1.639 4.823 279 1HD1 LEU 36 1HD1 LEU 36 -1.470 -3.171 5.810 280 2HD1 LEU 36 3HD1 LEU 36 -2.055 -2.084 4.550 281 3HD1 LEU 36 2HD1 LEU 36 -0.730 -3.197 4.209 282 1HD2 LEU 36 1HD2 LEU 36 -0.768 0.439 6.061 283 2HD2 LEU 36 3HD2 LEU 36 -0.066 0.395 4.444 284 3HD2 LEU 36 2HD2 LEU 36 -1.709 -0.188 4.709 285 1HB GLU 37 2HB GLU 37 1.509 -3.444 11.530 286 2HB GLU 37 1HB GLU 37 0.178 -2.793 12.470 287 1HG GLU 37 2HG GLU 37 -0.322 -5.283 12.995 288 2HG GLU 37 1HG GLU 37 1.355 -5.530 12.509 289 H GLU 37 H GLU 37 0.086 -2.007 10.062 290 HA GLU 37 HA GLU 37 -0.092 -4.813 10.235 291 H ALA 38 H ALA 38 -1.866 -2.305 12.004 292 HA ALA 38 HA ALA 38 -3.684 -3.904 13.337 293 1HB ALA 38 2HB ALA 38 -3.394 -1.467 13.691 294 2HB ALA 38 3HB ALA 38 -5.084 -1.949 13.543 295 3HB ALA 38 1HB ALA 38 -4.266 -1.177 12.186 296 H ALA 39 H ALA 39 -3.614 -2.882 10.017 297 HA ALA 39 HA ALA 39 -6.288 -3.649 9.362 298 1HB ALA 39 2HB ALA 39 -3.927 -3.330 7.513 299 2HB ALA 39 3HB ALA 39 -4.964 -2.008 8.053 300 3HB ALA 39 1HB ALA 39 -5.634 -3.309 7.066 301 1HB ARG 40 2HB ARG 40 -1.596 -6.695 8.402 302 2HB ARG 40 1HB ARG 40 -1.701 -7.376 10.020 303 1HG ARG 40 2HG ARG 40 -2.402 -9.542 8.696 304 2HG ARG 40 1HG ARG 40 -1.525 -8.746 7.389 305 1HD ARG 40 2HD ARG 40 0.481 -9.026 8.384 306 2HD ARG 40 1HD ARG 40 -0.168 -8.764 10.002 307 1HH1 ARG 40 2HH1 ARG 40 1.995 -9.765 9.668 308 2HH1 ARG 40 1HH1 ARG 40 2.764 -11.258 10.089 309 1HH2 ARG 40 1HH2 ARG 40 -0.135 -13.183 9.749 310 2HH2 ARG 40 2HH2 ARG 40 1.554 -13.201 10.134 311 H ARG 40 H ARG 40 -3.199 -5.226 9.519 312 HA ARG 40 HA ARG 40 -3.971 -7.561 8.042 313 HE ARG 40 HE ARG 40 -1.139 -11.210 9.197 314 1HB LYS 41 2HB LYS 41 -5.618 -6.477 13.467 315 2HB LYS 41 1HB LYS 41 -5.210 -7.820 14.525 316 1HG LYS 41 2HG LYS 41 -2.767 -7.234 13.599 317 2HG LYS 41 1HG LYS 41 -3.518 -5.641 13.488 318 1HD LYS 41 2HD LYS 41 -4.341 -6.335 15.938 319 2HD LYS 41 1HD LYS 41 -2.843 -7.265 15.869 320 1HE LYS 41 2HE LYS 41 -1.527 -5.359 15.614 321 2HE LYS 41 1HE LYS 41 -2.894 -4.369 15.102 322 H LYS 41 H LYS 41 -3.877 -6.623 11.428 323 HA LYS 41 HA LYS 41 -4.227 -9.041 12.688 324 1HZ LYS 41 1HZ LYS 41 -2.953 -5.514 17.796 325 2HZ LYS 41 3HZ LYS 41 -1.921 -4.203 17.515 326 3HZ LYS 41 2HZ LYS 41 -3.581 -4.049 17.233 327 1HG1 ILE 42 1HG1 ILE 42 -8.170 -5.579 9.365 328 2HG1 ILE 42 2HG1 ILE 42 -8.047 -7.212 8.718 329 H ILE 42 H ILE 42 -6.581 -7.117 10.939 330 HA ILE 42 HA ILE 42 -8.796 -8.791 11.759 331 HB ILE 42 HB ILE 42 -10.198 -7.369 10.461 332 1HG2 ILE 42 3HG2 ILE 42 -9.295 -6.455 12.584 333 2HG2 ILE 42 2HG2 ILE 42 -8.055 -5.617 11.651 334 3HG2 ILE 42 1HG2 ILE 42 -9.758 -5.212 11.421 335 1HD1 ILE 42 3HD1 ILE 42 -10.784 -6.351 8.750 336 2HD1 ILE 42 2HD1 ILE 42 -9.769 -5.191 7.894 337 3HD1 ILE 42 1HD1 ILE 42 -9.785 -6.883 7.397 338 1HA GLY 43 1HA GLY 43 -8.069 -10.641 7.679 339 2HA GLY 43 2HA GLY 43 -6.317 -10.581 7.810 340 H GLY 43 H GLY 43 -6.671 -8.400 9.001 341 1HB PHE 44 2HB PHE 44 -6.189 -5.627 6.410 342 2HB PHE 44 1HB PHE 44 -4.589 -6.019 5.792 343 H PHE 44 H PHE 44 -5.763 -7.981 7.173 344 HA PHE 44 HA PHE 44 -7.089 -7.298 4.692 345 HD1 PHE 44 HD1 PHE 44 -7.333 -6.060 3.438 346 HD2 PHE 44 HD2 PHE 44 -4.339 -3.632 5.233 347 HE1 PHE 44 HE1 PHE 44 -7.618 -4.395 1.649 348 HE2 PHE 44 HE2 PHE 44 -4.617 -1.961 3.448 349 HZ PHE 44 HZ PHE 44 -6.260 -2.340 1.654 350 1HB HIS 45 2HB HIS 45 -5.110 -11.603 3.227 351 2HB HIS 45 1HB HIS 45 -6.311 -11.120 2.037 352 H HIS 45 H HIS 45 -6.601 -9.154 3.432 353 HA HIS 45 HA HIS 45 -3.793 -9.626 2.784 354 HD1 HIS 45 HD1 HIS 45 -6.076 -13.083 0.474 355 HD2 HIS 45 HD2 HIS 45 -2.453 -11.203 1.254 356 HE1 HIS 45 HE1 HIS 45 -4.427 -14.108 -1.122 357 HE2 HIS 45 HE2 HIS 45 -2.269 -12.879 -0.705 358 H VAL 46 H VAL 46 -2.894 -8.576 1.162 359 HA VAL 46 HA VAL 46 -4.195 -8.345 -1.388 360 HB VAL 46 HB VAL 46 -5.165 -6.358 -0.922 361 1HG1 VAL 46 3HG1 VAL 46 -3.586 -6.559 1.459 362 2HG1 VAL 46 2HG1 VAL 46 -3.557 -4.900 0.862 363 3HG1 VAL 46 1HG1 VAL 46 -5.099 -5.690 1.193 364 1HG2 VAL 46 3HG2 VAL 46 -3.414 -5.802 -2.536 365 2HG2 VAL 46 2HG2 VAL 46 -3.772 -4.436 -1.478 366 3HG2 VAL 46 1HG2 VAL 46 -2.320 -5.401 -1.212 367 1HB CYS 47 2HB CYS 47 -0.259 -9.263 -4.852 368 2HB CYS 47 1HB CYS 47 0.361 -10.257 -3.538 369 H CYS 47 H CYS 47 -2.657 -8.797 -2.806 370 HA CYS 47 HA CYS 47 0.127 -8.574 -2.091 371 H ALA 48 H ALA 48 -1.946 -6.311 -3.055 372 HA ALA 48 HA ALA 48 -0.269 -5.057 -5.080 373 1HB ALA 48 2HB ALA 48 -2.932 -5.114 -4.868 374 2HB ALA 48 3HB ALA 48 -2.063 -3.792 -5.649 375 3HB ALA 48 1HB ALA 48 -2.614 -3.623 -3.981 376 H ALA 49 H ALA 49 1.578 -4.585 -3.850 377 HA ALA 49 HA ALA 49 1.859 -3.464 -1.409 378 1HB ALA 49 2HB ALA 49 3.981 -3.363 -2.041 379 2HB ALA 49 1HB ALA 49 3.477 -3.722 -3.693 380 3HB ALA 49 3HB ALA 49 3.621 -2.047 -3.159 381 1HA GLY 50 2HA GLY 50 -0.139 0.268 -0.427 382 2HA GLY 50 1HA GLY 50 0.363 0.611 -2.075 383 H GLY 50 H GLY 50 1.528 -1.540 -0.418 384 1HB TRP 51 2HB TRP 51 1.888 4.729 -2.324 385 2HB TRP 51 1HB TRP 51 3.316 5.410 -1.551 386 H TRP 51 H TRP 51 1.351 2.509 -2.118 387 HA TRP 51 HA TRP 51 3.810 2.962 -0.832 388 HD1 TRP 51 HD1 TRP 51 2.232 3.334 -4.534 389 HE1 TRP 51 HE1 TRP 51 4.258 2.978 -6.095 390 HE3 TRP 51 HE3 TRP 51 5.916 5.198 -1.518 391 HZ2 TRP 51 HZ2 TRP 51 7.043 3.435 -6.046 392 HZ3 TRP 51 HZ3 TRP 51 8.231 5.204 -2.351 393 HH2 TRP 51 HH2 TRP 51 8.781 4.340 -4.567 394 1HB MET 52 2HB MET 52 3.338 4.282 4.620 395 2HB MET 52 1HB MET 52 2.425 3.191 3.587 396 1HG MET 52 2HG MET 52 4.441 2.322 2.625 397 2HG MET 52 1HG MET 52 5.413 3.513 3.488 398 H MET 52 H MET 52 4.384 4.112 0.966 399 HA MET 52 HA MET 52 2.257 5.325 2.576 400 1HE MET 52 2HE MET 52 4.398 0.345 3.034 401 2HE MET 52 1HE MET 52 5.564 -0.320 4.180 402 3HE MET 52 3HE MET 52 3.836 -0.424 4.519 403 H ALA 53 H ALA 53 3.498 6.258 4.686 404 HA ALA 53 HA ALA 53 4.858 8.500 3.906 405 1HB ALA 53 3HB ALA 53 5.917 7.881 6.425 406 2HB ALA 53 1HB ALA 53 4.300 7.179 6.393 407 3HB ALA 53 2HB ALA 53 4.522 8.898 6.063 408 1HB LYS 54 2HB LYS 54 8.670 6.679 5.311 409 2HB LYS 54 1HB LYS 54 10.008 6.340 4.223 410 1HG LYS 54 2HG LYS 54 11.240 7.234 5.865 411 2HG LYS 54 1HG LYS 54 10.739 8.766 5.150 412 1HD LYS 54 2HD LYS 54 9.090 9.119 6.775 413 2HD LYS 54 1HD LYS 54 9.105 7.428 7.282 414 1HE LYS 54 2HE LYS 54 11.292 7.694 8.262 415 2HE LYS 54 1HE LYS 54 11.402 9.345 7.650 416 H LYS 54 H LYS 54 7.065 9.158 4.015 417 HA LYS 54 HA LYS 54 9.303 8.974 3.644 418 1HZ LYS 54 2HZ LYS 54 9.421 8.382 9.641 419 2HZ LYS 54 1HZ LYS 54 10.804 9.289 9.993 420 3HZ LYS 54 3HZ LYS 54 9.559 9.966 9.068 421 1HA GLY 55 1HA GLY 55 8.615 7.013 -0.291 422 2HA GLY 55 2HA GLY 55 6.908 6.632 -0.164 423 H GLY 55 H GLY 55 6.988 7.330 2.021 424 1HB ARG 56 2HB ARG 56 8.605 3.329 3.552 425 2HB ARG 56 1HB ARG 56 7.025 2.565 3.458 426 1HG ARG 56 2HG ARG 56 8.206 0.483 2.671 427 2HG ARG 56 1HG ARG 56 9.719 1.283 3.101 428 1HD ARG 56 2HD ARG 56 7.448 0.978 5.046 429 2HD ARG 56 1HD ARG 56 8.690 -0.258 4.846 430 1HH1 ARG 56 2HH1 ARG 56 7.003 1.568 6.549 431 2HH1 ARG 56 1HH1 ARG 56 7.341 2.497 7.971 432 1HH2 ARG 56 1HH2 ARG 56 10.757 2.819 7.300 433 2HH2 ARG 56 2HH2 ARG 56 9.476 3.209 8.398 434 H ARG 56 H ARG 56 7.153 4.829 2.050 435 HA ARG 56 HA ARG 56 8.881 2.689 1.087 436 HE ARG 56 HE ARG 56 10.300 1.593 5.431 437 H VAL 57 H VAL 57 8.100 0.620 0.509 438 HA VAL 57 HA VAL 57 5.222 0.508 -0.102 439 HB VAL 57 HB VAL 57 5.516 0.019 -2.277 440 1HG1 VAL 57 3HG1 VAL 57 8.103 1.336 -1.524 441 2HG1 VAL 57 2HG1 VAL 57 7.724 0.943 -3.201 442 3HG1 VAL 57 1HG1 VAL 57 6.682 2.040 -2.297 443 1HG2 VAL 57 1HG2 VAL 57 7.935 -1.533 -1.408 444 2HG2 VAL 57 3HG2 VAL 57 6.416 -2.137 -2.072 445 3HG2 VAL 57 2HG2 VAL 57 7.553 -1.275 -3.110 446 1HA GLY 58 2HA GLY 58 5.108 -3.300 1.917 447 2HA GLY 58 1HA GLY 58 5.622 -3.950 0.368 448 H GLY 58 H GLY 58 4.247 -1.515 -0.045 449 1HB TYR 59 2HB TYR 59 1.199 -7.104 -0.904 450 2HB TYR 59 1HB TYR 59 1.630 -5.497 -1.485 451 H TYR 59 H TYR 59 4.167 -5.727 1.007 452 HA TYR 59 HA TYR 59 1.325 -5.111 0.781 453 HD1 TYR 59 HD1 TYR 59 4.100 -4.967 -1.841 454 HD2 TYR 59 HD2 TYR 59 2.652 -8.926 -1.215 455 HE1 TYR 59 HE1 TYR 59 6.168 -5.875 -2.809 456 HE2 TYR 59 HE2 TYR 59 4.720 -9.838 -2.181 457 HH TYR 59 HH TYR 59 7.438 -8.350 -2.455 458 1HB PRO 60 2HB PRO 60 -0.772 -7.830 5.028 459 2HB PRO 60 1HB PRO 60 0.627 -6.825 5.413 460 1HG PRO 60 2HG PRO 60 -1.615 -6.311 3.512 461 2HG PRO 60 1HG PRO 60 -0.795 -5.187 4.609 462 1HD PRO 60 1HD PRO 60 -0.277 -5.322 1.936 463 2HD PRO 60 2HD PRO 60 0.922 -4.809 3.138 464 HA PRO 60 HA PRO 60 1.699 -8.266 3.986 465 1HG1 ILE 61 2HG1 ILE 61 2.428 -10.529 1.076 466 2HG1 ILE 61 1HG1 ILE 61 2.277 -11.476 -0.401 467 H ILE 61 H ILE 61 1.600 -10.211 2.973 468 HA ILE 61 HA ILE 61 -0.904 -11.010 1.680 469 HB ILE 61 HB ILE 61 1.563 -12.701 1.661 470 1HG2 ILE 61 3HG2 ILE 61 -0.965 -12.847 0.491 471 2HG2 ILE 61 2HG2 ILE 61 0.130 -12.396 -0.818 472 3HG2 ILE 61 1HG2 ILE 61 0.438 -13.853 0.128 473 1HD1 ILE 61 1HD1 ILE 61 -0.147 -10.076 -0.049 474 2HD1 ILE 61 3HD1 ILE 61 1.174 -8.936 0.205 475 3HD1 ILE 61 2HD1 ILE 61 1.079 -9.857 -1.297 476 H VAL 62 H VAL 62 -2.323 -12.039 2.902 477 HA VAL 62 HA VAL 62 -1.415 -13.591 5.206 478 HB VAL 62 HB VAL 62 -4.224 -12.834 4.392 479 1HG1 VAL 62 2HG1 VAL 62 -3.202 -14.674 6.348 480 2HG1 VAL 62 1HG1 VAL 62 -4.075 -13.362 7.137 481 3HG1 VAL 62 3HG1 VAL 62 -4.872 -14.332 5.899 482 1HG2 VAL 62 3HG2 VAL 62 -2.128 -11.388 5.816 483 2HG2 VAL 62 2HG2 VAL 62 -3.620 -10.796 5.085 484 3HG2 VAL 62 1HG2 VAL 62 -3.647 -11.487 6.707 485 1HB LYS 63 2HB LYS 63 -5.233 -15.311 1.937 486 2HB LYS 63 1HB LYS 63 -4.631 -15.628 0.316 487 1HG LYS 63 2HG LYS 63 -6.062 -17.369 0.496 488 2HG LYS 63 1HG LYS 63 -4.644 -18.126 1.223 489 1HD LYS 63 2HD LYS 63 -5.500 -18.017 3.345 490 2HD LYS 63 1HD LYS 63 -6.485 -16.599 2.990 491 1HE LYS 63 2HE LYS 63 -7.248 -18.969 1.465 492 2HE LYS 63 1HE LYS 63 -7.406 -19.171 3.209 493 H LYS 63 H LYS 63 -2.993 -13.969 2.101 494 HA LYS 63 HA LYS 63 -3.162 -16.871 2.583 495 1HZ LYS 63 2HZ LYS 63 -8.452 -16.698 2.085 496 2HZ LYS 63 1HZ LYS 63 -9.302 -18.111 1.711 497 3HZ LYS 63 3HZ LYS 63 -9.065 -17.667 3.327 498 1HB PRO 64 2HB PRO 64 1.770 -18.258 0.412 499 2HB PRO 64 1HB PRO 64 1.802 -16.602 1.024 500 1HG PRO 64 2HG PRO 64 0.464 -19.019 2.161 501 2HG PRO 64 1HG PRO 64 1.350 -17.732 2.995 502 1HD PRO 64 1HD PRO 64 -1.369 -17.850 2.897 503 2HD PRO 64 2HD PRO 64 -0.466 -16.326 3.015 504 HA PRO 64 HA PRO 64 0.178 -16.288 -0.563 505 1HA GLY 65 2HA GLY 65 -1.409 -19.468 -3.060 506 2HA GLY 65 1HA GLY 65 0.142 -20.215 -2.710 507 H GLY 65 H GLY 65 0.443 -17.448 -2.418 508 1HB PRO 66 2HB PRO 66 -1.513 -16.210 -7.189 509 2HB PRO 66 1HB PRO 66 -1.852 -17.648 -8.155 510 1HG PRO 66 2HG PRO 66 -3.464 -16.890 -6.148 511 2HG PRO 66 1HG PRO 66 -3.175 -18.600 -6.519 512 1HD PRO 66 1HD PRO 66 -2.001 -16.907 -4.347 513 2HD PRO 66 2HD PRO 66 -2.564 -18.590 -4.284 514 HA PRO 66 HA PRO 66 -0.133 -18.815 -7.217 515 1HB ASN 67 2HB ASN 67 0.987 -14.913 -9.853 516 2HB ASN 67 1HB ASN 67 1.171 -13.421 -8.934 517 1HD2 ASN 67 1HD2 ASN 67 2.239 -15.007 -11.554 518 2HD2 ASN 67 2HD2 ASN 67 3.819 -14.325 -11.704 519 H ASN 67 H ASN 67 0.120 -16.215 -8.412 520 HA ASN 67 HA ASN 67 2.816 -15.707 -8.030 521 1HB CYS 68 2HB CYS 68 -0.950 -14.245 -4.134 522 2HB CYS 68 1HB CYS 68 -0.434 -12.878 -3.153 523 H CYS 68 H CYS 68 0.282 -14.962 -5.975 524 HA CYS 68 HA CYS 68 1.404 -12.523 -4.895 525 1HA GLY 69 2HA GLY 69 2.279 -17.166 -2.414 526 2HA GLY 69 1HA GLY 69 2.296 -15.703 -1.438 527 H GLY 69 H GLY 69 1.228 -15.939 -4.049 528 1HB PHE 70 2HB PHE 70 5.608 -13.041 -1.321 529 2HB PHE 70 1HB PHE 70 7.019 -13.659 -0.470 530 H PHE 70 H PHE 70 4.216 -14.831 -1.003 531 HA PHE 70 HA PHE 70 6.424 -15.188 -2.880 532 HD1 PHE 70 HD1 PHE 70 5.855 -12.526 -3.805 533 HD2 PHE 70 HD2 PHE 70 9.163 -13.139 -1.200 534 HE1 PHE 70 HE1 PHE 70 7.321 -11.361 -5.400 535 HE2 PHE 70 HE2 PHE 70 10.635 -11.975 -2.791 536 HZ PHE 70 HZ PHE 70 9.715 -11.084 -4.894 537 1HA GLY 71 1HA GLY 71 7.871 -17.489 0.842 538 2HA GLY 71 2HA GLY 71 6.647 -18.668 0.381 539 H GLY 71 H GLY 71 5.231 -16.508 0.013 540 1HB LYS 72 2HB LYS 72 7.639 -15.001 4.555 541 2HB LYS 72 1HB LYS 72 6.619 -15.218 5.971 542 1HG LYS 72 2HG LYS 72 8.021 -16.710 6.805 543 2HG LYS 72 1HG LYS 72 7.906 -17.692 5.342 544 1HD LYS 72 2HD LYS 72 9.748 -16.677 4.361 545 2HD LYS 72 1HD LYS 72 9.628 -15.245 5.385 546 1HE LYS 72 2HE LYS 72 11.514 -16.481 6.132 547 2HE LYS 72 1HE LYS 72 10.240 -16.703 7.331 548 H LYS 72 H LYS 72 7.093 -15.859 2.524 549 HA LYS 72 HA LYS 72 5.827 -17.375 4.677 550 1HZ LYS 72 1HZ LYS 72 10.308 -18.682 5.217 551 2HZ LYS 72 3HZ LYS 72 11.642 -18.703 6.257 552 3HZ LYS 72 2HZ LYS 72 10.081 -18.882 6.881 553 H THR 73 H THR 73 4.561 -15.867 6.268 554 HA THR 73 HA THR 73 2.583 -14.398 4.653 555 HB THR 73 HB THR 73 0.913 -14.945 6.320 556 HG1 THR 73 HG1 THR 73 1.924 -16.698 7.893 557 1HG2 THR 73 1HG2 THR 73 2.535 -17.183 5.180 558 2HG2 THR 73 3HG2 THR 73 1.162 -17.544 6.225 559 3HG2 THR 73 2HG2 THR 73 0.921 -16.630 4.736 560 1HA GLY 74 2HA GLY 74 3.624 -11.124 7.373 561 2HA GLY 74 1HA GLY 74 1.914 -10.777 7.154 562 H GLY 74 H GLY 74 2.185 -12.313 5.096 563 1HG1 ILE 75 1HG1 ILE 75 2.045 -5.281 5.524 564 2HG1 ILE 75 2HG1 ILE 75 1.757 -6.282 6.943 565 H ILE 75 H ILE 75 3.167 -8.571 7.195 566 HA ILE 75 HA ILE 75 2.831 -7.356 4.723 567 HB ILE 75 HB ILE 75 4.189 -6.545 7.246 568 1HG2 ILE 75 3HG2 ILE 75 4.614 -5.254 4.578 569 2HG2 ILE 75 2HG2 ILE 75 4.640 -4.298 6.060 570 3HG2 ILE 75 1HG2 ILE 75 5.791 -5.617 5.842 571 1HD1 ILE 75 1HD1 ILE 75 3.160 -4.524 8.193 572 2HD1 ILE 75 3HD1 ILE 75 2.846 -3.508 6.786 573 3HD1 ILE 75 2HD1 ILE 75 1.501 -4.131 7.741 574 1HG1 ILE 76 1HG1 ILE 76 4.797 -10.053 2.597 575 2HG1 ILE 76 2HG1 ILE 76 3.822 -9.886 1.142 576 H ILE 76 H ILE 76 3.946 -7.513 2.909 577 HA ILE 76 HA ILE 76 6.696 -8.494 2.986 578 HB ILE 76 HB ILE 76 4.937 -8.030 0.578 579 1HG2 ILE 76 1HG2 ILE 76 7.432 -8.084 0.259 580 2HG2 ILE 76 3HG2 ILE 76 7.387 -9.759 0.810 581 3HG2 ILE 76 2HG2 ILE 76 6.521 -9.289 -0.653 582 1HD1 ILE 76 2HD1 ILE 76 6.471 -11.298 1.319 583 2HD1 ILE 76 1HD1 ILE 76 4.886 -12.069 1.273 584 3HD1 ILE 76 3HD1 ILE 76 5.463 -11.154 -0.121 585 1HB ASP 77 2HB ASP 77 6.964 -4.048 4.250 586 2HB ASP 77 1HB ASP 77 8.691 -4.002 4.583 587 H ASP 77 H ASP 77 7.706 -6.583 3.732 588 HA ASP 77 HA ASP 77 7.779 -4.392 1.762 589 1HB TYR 78 2HB TYR 78 10.822 -5.250 -0.981 590 2HB TYR 78 1HB TYR 78 12.392 -4.452 -0.955 591 H TYR 78 H TYR 78 9.576 -4.389 0.593 592 HA TYR 78 HA TYR 78 11.969 -5.710 1.578 593 HD1 TYR 78 HD1 TYR 78 10.654 -7.676 -0.731 594 HD2 TYR 78 HD2 TYR 78 14.437 -5.730 -0.798 595 HE1 TYR 78 HE1 TYR 78 11.754 -9.842 -1.117 596 HE2 TYR 78 HE2 TYR 78 15.547 -7.889 -1.185 597 HH TYR 78 HH TYR 78 15.285 -10.104 -1.287 598 1HA GLY 79 2HA GLY 79 13.356 -1.655 2.688 599 2HA GLY 79 1HA GLY 79 11.800 -1.013 3.212 600 H GLY 79 H GLY 79 10.753 -2.836 2.208 601 1HG1 ILE 80 1HG1 ILE 80 11.583 2.591 2.756 602 2HG1 ILE 80 2HG1 ILE 80 12.606 3.957 3.184 603 H ILE 80 H ILE 80 12.562 1.071 2.511 604 HA ILE 80 HA ILE 80 11.539 1.957 0.129 605 HB ILE 80 HB ILE 80 13.921 3.195 1.505 606 1HG2 ILE 80 3HG2 ILE 80 11.841 4.230 -0.395 607 2HG2 ILE 80 2HG2 ILE 80 12.765 5.308 0.651 608 3HG2 ILE 80 1HG2 ILE 80 13.598 4.302 -0.534 609 1HD1 ILE 80 1HD1 ILE 80 10.291 4.104 1.274 610 2HD1 ILE 80 3HD1 ILE 80 10.213 4.521 2.985 611 3HD1 ILE 80 2HD1 ILE 80 11.245 5.449 1.897 612 1HB ARG 81 2HB ARG 81 12.711 2.226 -4.475 613 2HB ARG 81 1HB ARG 81 13.909 1.020 -4.927 614 1HG ARG 81 2HG ARG 81 12.002 0.215 -2.831 615 2HG ARG 81 1HG ARG 81 11.330 0.458 -4.445 616 1HD ARG 81 2HD ARG 81 11.949 -1.825 -4.306 617 2HD ARG 81 1HD ARG 81 13.157 -1.033 -5.316 618 1HH1 ARG 81 1HH1 ARG 81 14.613 -1.666 -5.805 619 2HH1 ARG 81 2HH1 ARG 81 16.193 -2.288 -5.465 620 1HH2 ARG 81 2HH2 ARG 81 15.707 -2.431 -2.004 621 2HH2 ARG 81 1HH2 ARG 81 16.815 -2.724 -3.304 622 H ARG 81 H ARG 81 12.359 2.437 -1.905 623 HA ARG 81 HA ARG 81 14.717 0.879 -2.662 624 HE ARG 81 HE ARG 81 13.629 -1.610 -2.465 625 1HB LEU 82 2HB LEU 82 17.344 3.867 -3.170 626 2HB LEU 82 1HB LEU 82 17.731 5.565 -3.078 627 H LEU 82 H LEU 82 14.449 3.747 -1.452 628 HA LEU 82 HA LEU 82 15.626 5.692 -1.545 629 HG LEU 82 HG LEU 82 18.596 3.618 -1.352 630 1HD1 LEU 82 1HD1 LEU 82 19.430 5.922 -1.878 631 2HD1 LEU 82 3HD1 LEU 82 18.294 6.519 -0.671 632 3HD1 LEU 82 2HD1 LEU 82 19.587 5.417 -0.194 633 1HD2 LEU 82 2HD2 LEU 82 16.257 3.574 -0.403 634 2HD2 LEU 82 1HD2 LEU 82 17.545 3.915 0.753 635 3HD2 LEU 82 3HD2 LEU 82 16.537 5.228 0.142 636 1HB ASN 83 2HB ASN 83 15.188 5.446 -6.260 637 2HB ASN 83 1HB ASN 83 13.636 5.179 -7.049 638 1HD2 ASN 83 2HD2 ASN 83 16.462 6.953 -7.066 639 2HD2 ASN 83 1HD2 ASN 83 15.984 8.197 -8.167 640 H ASN 83 H ASN 83 13.534 4.952 -3.633 641 HA ASN 83 HA ASN 83 13.670 7.385 -5.094 642 1HB ARG 84 2HB ARG 84 9.092 8.988 -5.263 643 2HB ARG 84 1HB ARG 84 8.097 7.906 -4.298 644 1HG ARG 84 2HG ARG 84 9.101 8.991 -2.602 645 2HG ARG 84 1HG ARG 84 10.363 7.794 -2.881 646 1HD ARG 84 2HD ARG 84 11.811 9.322 -3.662 647 2HD ARG 84 1HD ARG 84 10.565 10.188 -4.558 648 1HH1 ARG 84 1HH1 ARG 84 13.160 10.002 -2.961 649 2HH1 ARG 84 2HH1 ARG 84 13.903 11.051 -1.800 650 1HH2 ARG 84 1HH2 ARG 84 10.908 12.558 -0.811 651 2HH2 ARG 84 2HH2 ARG 84 12.623 12.503 -0.577 652 H ARG 84 H ARG 84 11.607 7.951 -4.894 653 HA ARG 84 HA ARG 84 9.477 6.066 -4.716 654 HE ARG 84 HE ARG 84 9.937 11.173 -2.341 655 1HB SER 85 2HB SER 85 11.470 7.519 -9.671 656 2HB SER 85 1HB SER 85 11.929 5.824 -9.506 657 H SER 85 H SER 85 11.089 6.108 -7.228 658 HA SER 85 HA SER 85 9.147 6.982 -9.218 659 HG SER 85 HG SER 85 11.446 6.871 -11.714 660 1HB GLU 86 2HB GLU 86 8.116 1.835 -6.566 661 2HB GLU 86 1HB GLU 86 9.238 0.799 -7.436 662 1HG GLU 86 2HG GLU 86 10.070 3.403 -6.197 663 2HG GLU 86 1HG GLU 86 10.094 1.874 -5.320 664 H GLU 86 H GLU 86 9.637 4.280 -7.385 665 HA GLU 86 HA GLU 86 9.335 2.182 -9.244 666 1HB ARG 87 2HB ARG 87 5.472 -0.125 -11.108 667 2HB ARG 87 1HB ARG 87 4.270 1.116 -11.418 668 1HG ARG 87 2HG ARG 87 5.813 2.569 -12.340 669 2HG ARG 87 1HG ARG 87 7.178 1.785 -11.542 670 1HD ARG 87 2HD ARG 87 5.634 0.888 -13.950 671 2HD ARG 87 1HD ARG 87 7.372 1.134 -13.776 672 1HH1 ARG 87 2HH1 ARG 87 8.874 0.376 -13.514 673 2HH1 ARG 87 1HH1 ARG 87 9.806 -1.066 -13.287 674 1HH2 ARG 87 2HH2 ARG 87 7.058 -3.050 -12.425 675 2HH2 ARG 87 1HH2 ARG 87 8.773 -3.015 -12.668 676 H ARG 87 H ARG 87 7.394 0.758 -9.372 677 HA ARG 87 HA ARG 87 4.953 2.392 -9.545 678 HE ARG 87 HE ARG 87 5.842 -1.145 -12.727 679 1HB TRP 88 2HB TRP 88 3.942 1.223 -5.409 680 2HB TRP 88 1HB TRP 88 2.932 -0.114 -4.876 681 H TRP 88 H TRP 88 3.541 1.931 -8.011 682 HA TRP 88 HA TRP 88 2.978 -0.858 -7.357 683 HD1 TRP 88 HD1 TRP 88 6.388 0.772 -4.992 684 HE1 TRP 88 HE1 TRP 88 7.925 -1.292 -4.951 685 HE3 TRP 88 HE3 TRP 88 2.947 -2.812 -6.172 686 HZ2 TRP 88 HZ2 TRP 88 7.696 -4.081 -5.354 687 HZ3 TRP 88 HZ3 TRP 88 3.685 -5.154 -6.326 688 HH2 TRP 88 HH2 TRP 88 6.012 -5.773 -5.928 689 1HB ASP 89 2HB ASP 89 -0.686 -1.045 -4.574 690 2HB ASP 89 1HB ASP 89 -2.073 0.029 -4.413 691 H ASP 89 H ASP 89 1.460 0.012 -5.002 692 HA ASP 89 HA ASP 89 -0.791 1.351 -6.347 693 H ALA 90 H ALA 90 -2.153 1.240 -3.623 694 HA ALA 90 HA ALA 90 -0.549 2.902 -1.927 695 1HB ALA 90 3HB ALA 90 -1.051 4.642 -3.429 696 2HB ALA 90 1HB ALA 90 -2.144 4.862 -2.060 697 3HB ALA 90 2HB ALA 90 -2.741 4.149 -3.560 698 1HB TYR 91 2HB TYR 91 -1.091 1.476 2.086 699 2HB TYR 91 1HB TYR 91 -2.556 1.137 3.003 700 H TYR 91 H TYR 91 -1.116 2.456 0.079 701 HA TYR 91 HA TYR 91 -3.659 1.154 0.596 702 HD1 TYR 91 HD1 TYR 91 -4.035 -0.769 1.574 703 HD2 TYR 91 HD2 TYR 91 0.196 -0.412 1.804 704 HE1 TYR 91 HE1 TYR 91 -3.816 -3.160 1.057 705 HE2 TYR 91 HE2 TYR 91 0.433 -2.804 1.283 706 HH TYR 91 HH TYR 91 -1.363 -4.573 -0.090 707 1HB CYS 92 2HB CYS 92 -6.555 4.255 -0.245 708 2HB CYS 92 1HB CYS 92 -7.459 4.758 1.177 709 H CYS 92 H CYS 92 -4.820 3.176 0.085 710 HA CYS 92 HA CYS 92 -4.703 5.558 1.414 711 1HB TYR 93 2HB TYR 93 -4.711 4.584 5.566 712 2HB TYR 93 1HB TYR 93 -4.781 6.307 5.922 713 H TYR 93 H TYR 93 -6.065 6.447 3.128 714 HA TYR 93 HA TYR 93 -7.186 4.675 5.089 715 HD1 TYR 93 HD1 TYR 93 -7.163 6.661 7.485 716 HD2 TYR 93 HD2 TYR 93 -4.411 3.417 7.539 717 HE1 TYR 93 HE1 TYR 93 -7.817 6.157 9.801 718 HE2 TYR 93 HE2 TYR 93 -5.055 2.902 9.855 719 HH TYR 93 HH TYR 93 -7.718 3.833 11.276 720 1HB ASN 94 2HB ASN 94 -9.014 8.872 4.404 721 2HB ASN 94 1HB ASN 94 -10.387 7.777 4.269 722 1HD2 ASN 94 1HD2 ASN 94 -11.089 9.976 3.315 723 2HD2 ASN 94 2HD2 ASN 94 -11.952 11.001 4.408 724 H ASN 94 H ASN 94 -8.890 5.688 5.887 725 HA ASN 94 HA ASN 94 -8.813 8.391 6.779 726 1HB PRO 95 2HB PRO 95 -12.284 8.221 10.999 727 2HB PRO 95 1HB PRO 95 -10.904 7.119 11.056 728 1HG PRO 95 2HG PRO 95 -11.065 9.904 9.970 729 2HG PRO 95 1HG PRO 95 -9.793 9.159 10.954 730 1HD PRO 95 2HD PRO 95 -9.565 9.464 8.278 731 2HD PRO 95 1HD PRO 95 -8.841 8.094 9.144 732 HA PRO 95 HA PRO 95 -11.898 6.225 9.190 733 1HB HIS 96 2HB HIS 96 -14.030 11.037 7.903 734 2HB HIS 96 1HB HIS 96 -13.330 10.930 6.291 735 H HIS 96 H HIS 96 -12.277 8.627 7.009 736 HA HIS 96 HA HIS 96 -15.156 8.887 7.576 737 HD1 HIS 96 HD1 HIS 96 -16.685 11.330 7.987 738 HD2 HIS 96 HD2 HIS 96 -14.908 11.893 4.274 739 HE1 HIS 96 HE1 HIS 96 -18.401 12.533 6.597 740 HE2 HIS 96 HE2 HIS 96 -17.270 12.940 4.382 741 H ALA 97 H ALA 97 -12.821 7.675 5.535 742 HA ALA 97 HA ALA 97 -14.219 8.002 3.037 743 1HB ALA 97 2HB ALA 97 -12.071 5.967 3.448 744 2HB ALA 97 1HB ALA 97 -12.417 6.965 2.036 745 3HB ALA 97 3HB ALA 97 -11.666 7.683 3.461 746 1HB LYS 98 2HB LYS 98 -17.220 5.677 6.303 747 2HB LYS 98 1HB LYS 98 -18.522 5.908 5.142 748 1HG LYS 98 2HG LYS 98 -18.269 3.186 5.194 749 2HG LYS 98 1HG LYS 98 -17.924 3.633 6.865 750 1HD LYS 98 2HD LYS 98 -20.024 5.012 6.826 751 2HD LYS 98 1HD LYS 98 -20.387 4.290 5.258 752 1HE LYS 98 2HE LYS 98 -19.804 2.106 6.826 753 2HE LYS 98 1HE LYS 98 -20.653 3.179 7.940 754 H LYS 98 H LYS 98 -16.110 7.021 4.580 755 HA LYS 98 HA LYS 98 -16.180 4.131 4.512 756 1HZ LYS 98 2HZ LYS 98 -22.446 3.347 6.286 757 2HZ LYS 98 1HZ LYS 98 -21.645 2.220 5.311 758 3HZ LYS 98 3HZ LYS 98 -22.221 1.763 6.836 No H/Q in entry = 758 Start of MODEL 18 1 1HA GLY 1 2HA GLY 1 -9.579 1.902 8.693 2 2HA GLY 1 1HA GLY 1 -9.940 3.609 8.487 3 H1 GLY 1 2H GLY 1 -11.437 1.707 6.850 4 H2 GLY 1 1H GLY 1 -11.815 1.784 8.497 5 H3 GLY 1 3H GLY 1 -11.936 3.170 7.534 6 H VAL 2 H VAL 2 -7.779 1.442 7.622 7 HA VAL 2 HA VAL 2 -7.043 2.886 5.230 8 HB VAL 2 HB VAL 2 -5.182 2.444 6.552 9 1HG1 VAL 2 3HG1 VAL 2 -6.665 0.098 7.318 10 2HG1 VAL 2 2HG1 VAL 2 -4.988 -0.311 6.961 11 3HG1 VAL 2 1HG1 VAL 2 -5.357 0.926 8.165 12 1HG2 VAL 2 2HG2 VAL 2 -5.273 1.391 4.037 13 2HG2 VAL 2 1HG2 VAL 2 -3.815 1.559 5.013 14 3HG2 VAL 2 3HG2 VAL 2 -4.684 0.025 4.983 15 1HB TYR 3 2HB TYR 3 -9.550 0.385 0.818 16 2HB TYR 3 1HB TYR 3 -10.139 0.513 2.469 17 H TYR 3 H TYR 3 -7.352 2.254 3.192 18 HA TYR 3 HA TYR 3 -8.065 -0.552 2.690 19 HD1 TYR 3 HD1 TYR 3 -8.858 2.870 3.534 20 HD2 TYR 3 HD2 TYR 3 -10.333 2.175 -0.395 21 HE1 TYR 3 HE1 TYR 3 -9.185 5.288 3.237 22 HE2 TYR 3 HE2 TYR 3 -10.661 4.593 -0.705 23 HH TYR 3 HH TYR 3 -9.439 6.918 1.547 24 1HB HIS 4 2HB HIS 4 -4.769 -2.192 -1.086 25 2HB HIS 4 1HB HIS 4 -6.283 -2.690 -0.343 26 H HIS 4 H HIS 4 -7.805 -1.181 0.392 27 HA HIS 4 HA HIS 4 -5.296 -0.072 -0.618 28 HD1 HIS 4 HD1 HIS 4 -8.321 -3.072 -1.981 29 HD2 HIS 4 HD2 HIS 4 -4.644 -2.485 -3.822 30 HE1 HIS 4 HE1 HIS 4 -8.629 -3.838 -4.356 31 HE2 HIS 4 HE2 HIS 4 -6.363 -3.565 -5.424 32 1HB ARG 5 2HB ARG 5 -6.244 3.274 -3.145 33 2HB ARG 5 1HB ARG 5 -7.029 3.338 -4.716 34 1HG ARG 5 2HG ARG 5 -8.384 2.010 -2.408 35 2HG ARG 5 1HG ARG 5 -8.420 3.765 -2.585 36 1HD ARG 5 2HD ARG 5 -9.140 3.157 -5.048 37 2HD ARG 5 1HD ARG 5 -9.655 1.654 -4.283 38 1HH1 ARG 5 1HH1 ARG 5 -10.752 0.913 -3.087 39 2HH1 ARG 5 2HH1 ARG 5 -12.306 0.941 -2.323 40 1HH2 ARG 5 1HH2 ARG 5 -12.808 4.366 -2.817 41 2HH2 ARG 5 2HH2 ARG 5 -13.475 2.904 -2.170 42 H ARG 5 H ARG 5 -5.064 0.827 -2.606 43 HA ARG 5 HA ARG 5 -7.282 0.789 -4.489 44 HE ARG 5 HE ARG 5 -10.761 4.318 -3.821 45 1HB GLU 6 2HB GLU 6 -4.234 0.210 -9.178 46 2HB GLU 6 1HB GLU 6 -5.352 -0.555 -8.061 47 1HG GLU 6 2HG GLU 6 -6.313 1.841 -9.504 48 2HG GLU 6 1HG GLU 6 -6.094 0.361 -10.439 49 H GLU 6 H GLU 6 -6.685 1.306 -6.618 50 HA GLU 6 HA GLU 6 -3.789 1.197 -7.083 51 H ALA 7 H ALA 7 -3.628 2.091 -9.644 52 HA ALA 7 HA ALA 7 -3.963 4.957 -9.265 53 1HB ALA 7 3HB ALA 7 -2.408 5.249 -11.019 54 2HB ALA 7 2HB ALA 7 -1.814 3.885 -10.073 55 3HB ALA 7 1HB ALA 7 -2.642 3.603 -11.604 56 1HB ARG 8 2HB ARG 8 -7.084 7.569 -13.450 57 2HB ARG 8 1HB ARG 8 -6.904 7.839 -11.723 58 1HG ARG 8 2HG ARG 8 -4.334 7.302 -12.794 59 2HG ARG 8 1HG ARG 8 -5.119 8.504 -13.820 60 1HD ARG 8 2HD ARG 8 -5.744 9.614 -11.539 61 2HD ARG 8 1HD ARG 8 -4.397 8.655 -10.926 62 1HH1 ARG 8 1HH1 ARG 8 -5.715 11.253 -11.016 63 2HH1 ARG 8 2HH1 ARG 8 -5.135 12.872 -11.225 64 1HH2 ARG 8 1HH2 ARG 8 -2.340 11.935 -13.105 65 2HH2 ARG 8 2HH2 ARG 8 -3.216 13.260 -12.412 66 H ARG 8 H ARG 8 -4.691 6.290 -11.132 67 HA ARG 8 HA ARG 8 -7.285 5.527 -11.933 68 HE ARG 8 HE ARG 8 -3.113 9.808 -12.824 69 1HB SER 9 2HB SER 9 -2.981 5.755 -15.437 70 2HB SER 9 1HB SER 9 -2.420 4.084 -15.482 71 H SER 9 H SER 9 -4.161 5.276 -13.480 72 HA SER 9 HA SER 9 -5.300 4.558 -16.044 73 HG SER 9 HG SER 9 -3.159 5.730 -17.528 74 1HA GLY 10 2HA GLY 10 -4.079 0.388 -14.468 75 2HA GLY 10 1HA GLY 10 -5.509 0.577 -13.462 76 H GLY 10 H GLY 10 -4.478 2.974 -13.152 77 1HB LYS 11 2HB LYS 11 -4.666 -2.171 -9.830 78 2HB LYS 11 1HB LYS 11 -3.762 -3.104 -11.003 79 1HG LYS 11 2HG LYS 11 -1.829 -2.795 -9.222 80 2HG LYS 11 1HG LYS 11 -3.213 -2.635 -8.137 81 1HD LYS 11 2HD LYS 11 -3.705 -4.836 -9.861 82 2HD LYS 11 1HD LYS 11 -2.068 -5.003 -9.221 83 1HE LYS 11 2HE LYS 11 -2.789 -5.153 -7.040 84 2HE LYS 11 1HE LYS 11 -4.293 -4.293 -7.367 85 H LYS 11 H LYS 11 -4.380 -1.306 -12.393 86 HA LYS 11 HA LYS 11 -3.123 -0.367 -10.012 87 1HZ LYS 11 3HZ LYS 11 -4.874 -6.338 -8.762 88 2HZ LYS 11 2HZ LYS 11 -3.628 -7.113 -7.922 89 3HZ LYS 11 1HZ LYS 11 -4.951 -6.482 -7.077 90 1HB TYR 12 2HB TYR 12 0.161 -3.179 -11.169 91 2HB TYR 12 1HB TYR 12 1.877 -2.809 -11.275 92 H TYR 12 H TYR 12 -1.057 -0.793 -9.240 93 HA TYR 12 HA TYR 12 1.198 -1.082 -9.338 94 HD1 TYR 12 HD1 TYR 12 0.081 -2.509 -8.097 95 HD2 TYR 12 HD2 TYR 12 2.514 -5.015 -10.522 96 HE1 TYR 12 HE1 TYR 12 0.512 -3.958 -6.156 97 HE2 TYR 12 HE2 TYR 12 2.950 -6.474 -8.591 98 HH TYR 12 HH TYR 12 2.642 -6.790 -6.416 99 1HB LYS 13 2HB LYS 13 1.518 2.577 -13.951 100 2HB LYS 13 1HB LYS 13 1.050 0.905 -13.679 101 1HG LYS 13 2HG LYS 13 -0.833 1.593 -12.352 102 2HG LYS 13 1HG LYS 13 -0.325 3.281 -12.445 103 1HD LYS 13 2HD LYS 13 -2.095 2.944 -14.024 104 2HD LYS 13 1HD LYS 13 -0.588 3.155 -14.920 105 1HE LYS 13 2HE LYS 13 -1.314 0.382 -14.213 106 2HE LYS 13 1HE LYS 13 -2.341 1.177 -15.405 107 H LYS 13 H LYS 13 1.194 1.184 -10.130 108 HA LYS 13 HA LYS 13 2.949 1.523 -12.274 109 1HZ LYS 13 2HZ LYS 13 0.364 1.676 -16.013 110 2HZ LYS 13 1HZ LYS 13 0.146 0.011 -15.814 111 3HZ LYS 13 3HZ LYS 13 -0.794 0.859 -16.936 112 1HB LEU 14 2HB LEU 14 0.526 5.848 -8.153 113 2HB LEU 14 1HB LEU 14 -0.394 4.883 -9.284 114 H LEU 14 H LEU 14 1.323 2.609 -9.633 115 HA LEU 14 HA LEU 14 1.761 5.441 -10.213 116 HG LEU 14 HG LEU 14 0.923 3.037 -7.644 117 1HD1 LEU 14 3HD1 LEU 14 0.560 5.533 -6.266 118 2HD1 LEU 14 2HD1 LEU 14 -0.435 4.270 -5.539 119 3HD1 LEU 14 1HD1 LEU 14 1.306 4.036 -5.702 120 1HD2 LEU 14 2HD2 LEU 14 -1.475 3.234 -8.688 121 2HD2 LEU 14 1HD2 LEU 14 -1.199 2.266 -7.240 122 3HD2 LEU 14 3HD2 LEU 14 -1.880 3.886 -7.101 123 H THR 15 H THR 15 2.738 6.767 -8.467 124 HA THR 15 HA THR 15 5.018 5.330 -7.272 125 HB THR 15 HB THR 15 6.358 7.252 -7.530 126 HG1 THR 15 HG1 THR 15 5.543 9.273 -7.865 127 1HG2 THR 15 1HG2 THR 15 5.094 6.110 -9.747 128 2HG2 THR 15 3HG2 THR 15 5.075 7.848 -10.046 129 3HG2 THR 15 2HG2 THR 15 6.602 7.024 -9.737 130 1HB TYR 16 2HB TYR 16 6.620 7.397 -3.148 131 2HB TYR 16 1HB TYR 16 6.609 8.997 -3.884 132 H TYR 16 H TYR 16 5.850 7.618 -5.742 133 HA TYR 16 HA TYR 16 4.207 7.215 -3.416 134 HD1 TYR 16 HD1 TYR 16 5.170 7.130 -0.995 135 HD2 TYR 16 HD2 TYR 16 6.502 10.871 -2.518 136 HE1 TYR 16 HE1 TYR 16 4.849 8.139 1.222 137 HE2 TYR 16 HE2 TYR 16 6.187 11.892 -0.303 138 HH TYR 16 HH TYR 16 4.953 9.994 2.436 139 H ALA 17 H ALA 17 5.283 10.150 -5.128 140 HA ALA 17 HA ALA 17 3.476 11.913 -3.949 141 1HB ALA 17 1HB ALA 17 4.577 12.082 -6.753 142 2HB ALA 17 2HB ALA 17 5.439 12.588 -5.301 143 3HB ALA 17 3HB ALA 17 3.958 13.415 -5.779 144 1HB GLU 18 2HB GLU 18 2.104 8.120 -7.956 145 2HB GLU 18 1HB GLU 18 0.476 8.336 -8.586 146 1HG GLU 18 2HG GLU 18 1.149 10.035 -10.052 147 2HG GLU 18 1HG GLU 18 2.680 10.269 -9.211 148 H GLU 18 H GLU 18 3.114 9.678 -6.618 149 HA GLU 18 HA GLU 18 0.618 10.705 -7.554 150 H ALA 19 H ALA 19 1.467 7.774 -5.737 151 HA ALA 19 HA ALA 19 -0.994 6.805 -5.098 152 1HB ALA 19 3HB ALA 19 0.367 5.389 -4.055 153 2HB ALA 19 1HB ALA 19 0.477 6.551 -2.731 154 3HB ALA 19 2HB ALA 19 1.666 6.584 -4.035 155 1HB LYS 20 2HB LYS 20 1.287 10.803 -1.669 156 2HB LYS 20 1HB LYS 20 0.569 12.013 -2.725 157 1HG LYS 20 2HG LYS 20 -0.610 13.011 -0.990 158 2HG LYS 20 1HG LYS 20 -0.470 11.591 0.049 159 1HD LYS 20 2HD LYS 20 1.090 12.976 1.008 160 2HD LYS 20 1HD LYS 20 2.098 12.093 -0.139 161 1HE LYS 20 2HE LYS 20 2.254 13.891 -1.587 162 2HE LYS 20 1HE LYS 20 0.788 14.648 -0.966 163 H LYS 20 H LYS 20 0.724 9.446 -3.510 164 HA LYS 20 HA LYS 20 -1.053 9.852 -1.392 165 1HZ LYS 20 2HZ LYS 20 3.189 14.371 0.728 166 2HZ LYS 20 1HZ LYS 20 3.025 15.669 -0.343 167 3HZ LYS 20 3HZ LYS 20 1.893 15.445 0.895 168 H ALA 21 H ALA 21 -0.855 11.407 -4.580 169 HA ALA 21 HA ALA 21 -3.032 13.154 -4.231 170 1HB ALA 21 2HB ALA 21 -3.048 13.328 -6.683 171 2HB ALA 21 3HB ALA 21 -1.951 11.950 -6.780 172 3HB ALA 21 1HB ALA 21 -1.416 13.451 -6.023 173 H VAL 22 H VAL 22 -2.867 9.862 -5.541 174 HA VAL 22 HA VAL 22 -5.490 9.597 -6.414 175 HB VAL 22 HB VAL 22 -3.353 7.735 -5.568 176 1HG1 VAL 22 3HG1 VAL 22 -6.242 6.896 -5.685 177 2HG1 VAL 22 2HG1 VAL 22 -4.871 5.787 -5.688 178 3HG1 VAL 22 1HG1 VAL 22 -5.168 6.820 -4.288 179 1HG2 VAL 22 2HG2 VAL 22 -3.616 8.451 -7.885 180 2HG2 VAL 22 1HG2 VAL 22 -3.862 6.712 -7.724 181 3HG2 VAL 22 3HG2 VAL 22 -5.249 7.784 -7.911 182 1HB CYS 23 2HB CYS 23 -3.736 8.994 -1.147 183 2HB CYS 23 1HB CYS 23 -4.968 9.302 0.071 184 H CYS 23 H CYS 23 -4.080 9.166 -3.217 185 HA CYS 23 HA CYS 23 -6.460 8.234 -1.960 186 1HB GLU 24 2HB GLU 24 -4.230 13.329 -1.747 187 2HB GLU 24 1HB GLU 24 -5.435 14.566 -2.073 188 1HG GLU 24 2HG GLU 24 -5.693 14.930 0.339 189 2HG GLU 24 1HG GLU 24 -4.459 13.709 0.643 190 H GLU 24 H GLU 24 -4.728 11.335 -1.742 191 HA GLU 24 HA GLU 24 -6.612 12.735 -0.266 192 1HB PHE 25 2HB PHE 25 -7.058 12.356 -5.745 193 2HB PHE 25 1HB PHE 25 -8.224 11.048 -5.731 194 H PHE 25 H PHE 25 -6.921 11.539 -3.395 195 HA PHE 25 HA PHE 25 -8.808 13.564 -4.275 196 HD1 PHE 25 HD1 PHE 25 -7.754 14.583 -6.670 197 HD2 PHE 25 HD2 PHE 25 -10.129 11.077 -7.097 198 HE1 PHE 25 HE1 PHE 25 -8.992 15.651 -8.509 199 HE2 PHE 25 HE2 PHE 25 -11.371 12.139 -8.937 200 HZ PHE 25 HZ PHE 25 -10.804 14.429 -9.644 201 1HB GLU 26 2HB GLU 26 -9.506 7.948 -2.779 202 2HB GLU 26 1HB GLU 26 -11.168 7.500 -3.124 203 1HG GLU 26 2HG GLU 26 -10.780 8.010 -5.507 204 2HG GLU 26 1HG GLU 26 -9.091 8.344 -5.128 205 H GLU 26 H GLU 26 -8.764 10.087 -3.656 206 HA GLU 26 HA GLU 26 -11.589 9.795 -3.947 207 1HA GLY 27 1HA GLY 27 -12.120 10.930 0.302 208 2HA GLY 27 2HA GLY 27 -10.933 12.226 0.338 209 H GLY 27 H GLY 27 -10.019 11.402 -1.655 210 1HA GLY 28 2HA GLY 28 -8.250 9.000 2.132 211 2HA GLY 28 1HA GLY 28 -8.328 10.385 3.214 212 H GLY 28 H GLY 28 -8.637 11.469 0.727 213 1HB HIS 29 2HB HIS 29 -2.898 10.528 3.929 214 2HB HIS 29 1HB HIS 29 -3.514 11.843 2.936 215 H HIS 29 H HIS 29 -6.041 9.054 3.294 216 HA HIS 29 HA HIS 29 -4.161 10.302 1.443 217 HD1 HIS 29 HD1 HIS 29 -4.474 13.363 4.651 218 HD2 HIS 29 HD2 HIS 29 -5.707 9.431 5.172 219 HE1 HIS 29 HE1 HIS 29 -6.180 13.431 6.489 220 HE2 HIS 29 HE2 HIS 29 -6.993 11.059 6.715 221 1HB LEU 30 2HB LEU 30 0.262 8.710 2.018 222 2HB LEU 30 1HB LEU 30 0.650 7.005 2.096 223 H LEU 30 H LEU 30 -1.874 9.465 1.902 224 HA LEU 30 HA LEU 30 -1.902 6.654 1.743 225 HG LEU 30 HG LEU 30 -0.523 8.512 -0.234 226 1HD1 LEU 30 1HD1 LEU 30 2.108 7.929 0.547 227 2HD1 LEU 30 3HD1 LEU 30 1.737 6.843 -0.793 228 3HD1 LEU 30 2HD1 LEU 30 1.557 8.586 -0.995 229 1HD2 LEU 30 2HD2 LEU 30 -1.623 6.301 0.080 230 2HD2 LEU 30 1HD2 LEU 30 -0.709 6.444 -1.422 231 3HD2 LEU 30 3HD2 LEU 30 -0.037 5.545 -0.061 232 H ALA 31 H ALA 31 -2.172 5.249 3.342 233 HA ALA 31 HA ALA 31 -2.159 5.923 6.068 234 1HB ALA 31 2HB ALA 31 -2.360 3.421 4.512 235 2HB ALA 31 1HB ALA 31 -1.877 3.271 6.202 236 3HB ALA 31 3HB ALA 31 -3.401 4.055 5.787 237 H THR 32 H THR 32 -0.796 3.937 7.369 238 HA THR 32 HA THR 32 2.030 4.397 6.704 239 HB THR 32 HB THR 32 2.570 5.299 8.693 240 HG1 THR 32 HG1 THR 32 2.248 3.704 10.116 241 1HG2 THR 32 2HG2 THR 32 -0.353 5.819 8.389 242 2HG2 THR 32 1HG2 THR 32 0.479 6.399 9.831 243 3HG2 THR 32 3HG2 THR 32 1.008 6.931 8.235 244 1HB TYR 33 2HB TYR 33 5.157 1.314 7.760 245 2HB TYR 33 1HB TYR 33 4.828 1.040 9.464 246 H TYR 33 H TYR 33 3.505 2.867 7.760 247 HA TYR 33 HA TYR 33 2.859 0.225 7.339 248 HD1 TYR 33 HD1 TYR 33 5.342 -0.646 6.214 249 HD2 TYR 33 HD2 TYR 33 5.075 -1.108 10.435 250 HE1 TYR 33 HE1 TYR 33 6.201 -2.941 6.011 251 HE2 TYR 33 HE2 TYR 33 5.934 -3.404 10.244 252 HH TYR 33 HH TYR 33 6.150 -5.163 8.634 253 1HB LYS 34 2HB LYS 34 2.649 2.539 12.426 254 2HB LYS 34 1HB LYS 34 0.948 2.406 12.844 255 1HG LYS 34 2HG LYS 34 1.486 0.693 14.500 256 2HG LYS 34 1HG LYS 34 3.195 0.829 14.081 257 1HD LYS 34 2HD LYS 34 3.416 2.889 15.075 258 2HD LYS 34 1HD LYS 34 1.709 3.288 14.872 259 1HE LYS 34 2HE LYS 34 2.268 2.899 17.221 260 2HE LYS 34 1HE LYS 34 1.112 1.708 16.622 261 H LYS 34 H LYS 34 2.955 1.917 10.464 262 HA LYS 34 HA LYS 34 2.138 -0.159 12.102 263 1HZ LYS 34 2HZ LYS 34 4.007 1.138 16.627 264 2HZ LYS 34 1HZ LYS 34 3.074 0.895 18.018 265 3HZ LYS 34 3HZ LYS 34 2.712 0.050 16.596 266 1HB GLN 35 2HB GLN 35 -1.806 2.450 8.509 267 2HB GLN 35 1HB GLN 35 -3.273 2.591 9.463 268 1HG GLN 35 2HG GLN 35 -1.843 3.875 11.144 269 2HG GLN 35 1HG GLN 35 -0.653 3.983 9.849 270 1HE2 GLN 35 1HE2 GLN 35 -3.127 5.555 11.299 271 2HE2 GLN 35 2HE2 GLN 35 -3.616 6.594 10.009 272 H GLN 35 H GLN 35 0.146 2.217 10.369 273 HA GLN 35 HA GLN 35 -2.350 1.324 11.253 274 1HB LEU 36 2HB LEU 36 0.600 -0.784 7.062 275 2HB LEU 36 1HB LEU 36 0.575 -2.526 7.247 276 H LEU 36 H LEU 36 -0.247 0.214 8.668 277 HA LEU 36 HA LEU 36 -2.107 -1.495 7.396 278 HG LEU 36 HG LEU 36 0.418 -1.519 4.872 279 1HD1 LEU 36 3HD1 LEU 36 -1.065 -3.769 6.078 280 2HD1 LEU 36 2HD1 LEU 36 -1.526 -3.306 4.439 281 3HD1 LEU 36 1HD1 LEU 36 0.141 -3.759 4.791 282 1HD2 LEU 36 2HD2 LEU 36 -1.686 -0.151 5.918 283 2HD2 LEU 36 1HD2 LEU 36 -1.437 -0.458 4.200 284 3HD2 LEU 36 3HD2 LEU 36 -2.499 -1.509 5.139 285 1HB GLU 37 2HB GLU 37 1.416 -3.153 11.717 286 2HB GLU 37 1HB GLU 37 0.069 -2.485 12.624 287 1HG GLU 37 2HG GLU 37 -0.382 -4.942 13.288 288 2HG GLU 37 1HG GLU 37 1.288 -5.203 12.786 289 H GLU 37 H GLU 37 -0.052 -1.818 10.185 290 HA GLU 37 HA GLU 37 -0.152 -4.618 10.492 291 H ALA 38 H ALA 38 -1.989 -2.069 12.128 292 HA ALA 38 HA ALA 38 -3.777 -3.646 13.534 293 1HB ALA 38 2HB ALA 38 -3.530 -1.187 13.777 294 2HB ALA 38 3HB ALA 38 -5.210 -1.710 13.658 295 3HB ALA 38 1HB ALA 38 -4.412 -0.984 12.263 296 H ALA 39 H ALA 39 -3.716 -2.764 10.172 297 HA ALA 39 HA ALA 39 -6.375 -3.622 9.553 298 1HB ALA 39 1HB ALA 39 -4.024 -3.290 7.691 299 2HB ALA 39 2HB ALA 39 -5.111 -1.990 8.181 300 3HB ALA 39 3HB ALA 39 -5.729 -3.349 7.241 301 1HB ARG 40 2HB ARG 40 -1.578 -6.603 8.711 302 2HB ARG 40 1HB ARG 40 -1.721 -7.146 10.378 303 1HG ARG 40 2HG ARG 40 -1.873 -9.422 9.709 304 2HG ARG 40 1HG ARG 40 -2.035 -8.974 8.011 305 1HD ARG 40 2HD ARG 40 0.185 -9.588 8.133 306 2HD ARG 40 1HD ARG 40 0.274 -7.841 8.356 307 1HH1 ARG 40 1HH1 ARG 40 1.163 -10.860 8.516 308 2HH1 ARG 40 2HH1 ARG 40 2.190 -11.721 9.611 309 1HH2 ARG 40 2HH2 ARG 40 1.833 -9.418 12.216 310 2HH2 ARG 40 1HH2 ARG 40 2.572 -10.902 11.714 311 H ARG 40 H ARG 40 -3.237 -5.105 9.739 312 HA ARG 40 HA ARG 40 -3.913 -7.497 8.331 313 HE ARG 40 HE ARG 40 0.482 -8.290 10.766 314 1HB LYS 41 2HB LYS 41 -5.876 -6.349 13.651 315 2HB LYS 41 1HB LYS 41 -5.395 -7.622 14.764 316 1HG LYS 41 2HG LYS 41 -2.985 -6.978 14.098 317 2HG LYS 41 1HG LYS 41 -3.724 -5.488 13.504 318 1HD LYS 41 2HD LYS 41 -4.336 -4.790 15.609 319 2HD LYS 41 1HD LYS 41 -4.390 -6.433 16.253 320 1HE LYS 41 2HE LYS 41 -2.036 -6.559 16.399 321 2HE LYS 41 1HE LYS 41 -1.824 -5.113 15.412 322 H LYS 41 H LYS 41 -3.998 -6.464 11.684 323 HA LYS 41 HA LYS 41 -4.320 -8.852 13.005 324 1HZ LYS 41 3HZ LYS 41 -3.389 -4.572 17.728 325 2HZ LYS 41 2HZ LYS 41 -1.888 -5.229 18.150 326 3HZ LYS 41 1HZ LYS 41 -1.963 -3.832 17.200 327 1HG1 ILE 42 2HG1 ILE 42 -8.753 -5.547 9.270 328 2HG1 ILE 42 1HG1 ILE 42 -7.936 -7.069 8.929 329 H ILE 42 H ILE 42 -6.657 -7.076 11.088 330 HA ILE 42 HA ILE 42 -8.829 -8.845 11.842 331 HB ILE 42 HB ILE 42 -10.271 -7.459 10.618 332 1HG2 ILE 42 2HG2 ILE 42 -8.950 -6.451 12.633 333 2HG2 ILE 42 1HG2 ILE 42 -8.270 -5.391 11.399 334 3HG2 ILE 42 3HG2 ILE 42 -10.012 -5.428 11.666 335 1HD1 ILE 42 1HD1 ILE 42 -10.881 -6.995 8.631 336 2HD1 ILE 42 3HD1 ILE 42 -9.903 -6.161 7.425 337 3HD1 ILE 42 2HD1 ILE 42 -9.666 -7.884 7.713 338 1HA GLY 43 1HA GLY 43 -7.818 -10.714 7.849 339 2HA GLY 43 2HA GLY 43 -6.076 -10.573 8.043 340 H GLY 43 H GLY 43 -6.525 -8.467 9.270 341 1HB PHE 44 2HB PHE 44 -6.206 -5.639 6.696 342 2HB PHE 44 1HB PHE 44 -4.571 -5.841 6.080 343 H PHE 44 H PHE 44 -5.635 -7.940 7.438 344 HA PHE 44 HA PHE 44 -6.877 -7.355 4.882 345 HD1 PHE 44 HD1 PHE 44 -7.522 -6.006 3.917 346 HD2 PHE 44 HD2 PHE 44 -4.349 -3.568 5.359 347 HE1 PHE 44 HE1 PHE 44 -7.993 -4.358 2.152 348 HE2 PHE 44 HE2 PHE 44 -4.813 -1.915 3.598 349 HZ PHE 44 HZ PHE 44 -6.639 -2.307 1.992 350 1HB HIS 45 2HB HIS 45 -3.772 -11.325 3.498 351 2HB HIS 45 1HB HIS 45 -5.435 -11.170 2.949 352 H HIS 45 H HIS 45 -6.166 -9.035 3.554 353 HA HIS 45 HA HIS 45 -3.271 -9.136 3.046 354 HD1 HIS 45 HD1 HIS 45 -5.897 -12.437 0.895 355 HD2 HIS 45 HD2 HIS 45 -1.929 -11.218 1.072 356 HE1 HIS 45 HE1 HIS 45 -4.809 -13.378 -1.166 357 HE2 HIS 45 HE2 HIS 45 -2.434 -12.542 -1.086 358 H VAL 46 H VAL 46 -2.701 -7.896 1.394 359 HA VAL 46 HA VAL 46 -4.182 -8.131 -1.120 360 HB VAL 46 HB VAL 46 -3.199 -5.408 -0.447 361 1HG1 VAL 46 2HG1 VAL 46 -4.160 -6.024 -2.651 362 2HG1 VAL 46 1HG1 VAL 46 -5.693 -6.361 -1.847 363 3HG1 VAL 46 3HG1 VAL 46 -5.035 -4.725 -1.841 364 1HG2 VAL 46 2HG2 VAL 46 -5.246 -6.787 1.105 365 2HG2 VAL 46 1HG2 VAL 46 -4.400 -5.275 1.434 366 3HG2 VAL 46 3HG2 VAL 46 -5.815 -5.284 0.380 367 1HB CYS 47 2HB CYS 47 -0.925 -9.213 -4.924 368 2HB CYS 47 1HB CYS 47 0.233 -10.056 -3.901 369 H CYS 47 H CYS 47 -2.770 -8.776 -2.604 370 HA CYS 47 HA CYS 47 0.050 -8.549 -2.219 371 H ALA 48 H ALA 48 -1.891 -6.147 -2.785 372 HA ALA 48 HA ALA 48 -0.374 -4.938 -4.986 373 1HB ALA 48 2HB ALA 48 -3.000 -4.979 -4.744 374 2HB ALA 48 3HB ALA 48 -2.164 -3.582 -5.420 375 3HB ALA 48 1HB ALA 48 -2.699 -3.561 -3.740 376 H ALA 49 H ALA 49 1.530 -4.458 -3.863 377 HA ALA 49 HA ALA 49 1.957 -3.379 -1.426 378 1HB ALA 49 1HB ALA 49 4.032 -3.226 -2.188 379 2HB ALA 49 3HB ALA 49 3.428 -3.579 -3.807 380 3HB ALA 49 2HB ALA 49 3.579 -1.906 -3.268 381 1HA GLY 50 2HA GLY 50 -0.166 0.234 -0.215 382 2HA GLY 50 1HA GLY 50 0.209 0.617 -1.887 383 H GLY 50 H GLY 50 1.428 -1.583 -0.348 384 1HB TRP 51 2HB TRP 51 1.758 4.692 -2.309 385 2HB TRP 51 1HB TRP 51 3.179 5.417 -1.561 386 H TRP 51 H TRP 51 1.211 2.503 -2.010 387 HA TRP 51 HA TRP 51 3.717 2.979 -0.810 388 HD1 TRP 51 HD1 TRP 51 2.134 3.175 -4.455 389 HE1 TRP 51 HE1 TRP 51 4.149 2.862 -6.038 390 HE3 TRP 51 HE3 TRP 51 5.761 5.370 -1.597 391 HZ2 TRP 51 HZ2 TRP 51 6.904 3.472 -6.065 392 HZ3 TRP 51 HZ3 TRP 51 8.058 5.466 -2.474 393 HH2 TRP 51 HH2 TRP 51 8.616 4.536 -4.661 394 1HB MET 52 2HB MET 52 3.096 4.520 4.561 395 2HB MET 52 1HB MET 52 2.242 3.453 3.458 396 1HG MET 52 2HG MET 52 4.365 2.565 2.659 397 2HG MET 52 1HG MET 52 5.230 3.643 3.753 398 H MET 52 H MET 52 4.333 4.350 0.865 399 HA MET 52 HA MET 52 2.289 5.638 2.476 400 1HE MET 52 3HE MET 52 3.610 0.434 3.093 401 2HE MET 52 2HE MET 52 5.256 0.123 3.645 402 3HE MET 52 1HE MET 52 3.886 -0.494 4.567 403 H ALA 53 H ALA 53 3.561 6.458 4.615 404 HA ALA 53 HA ALA 53 5.117 8.565 3.913 405 1HB ALA 53 3HB ALA 53 6.125 7.602 6.405 406 2HB ALA 53 1HB ALA 53 4.387 7.312 6.329 407 3HB ALA 53 2HB ALA 53 5.020 8.941 6.096 408 1HB LYS 54 2HB LYS 54 8.890 6.356 5.070 409 2HB LYS 54 1HB LYS 54 10.387 6.312 4.153 410 1HG LYS 54 2HG LYS 54 11.160 7.231 6.076 411 2HG LYS 54 1HG LYS 54 10.699 8.706 5.226 412 1HD LYS 54 2HD LYS 54 8.564 8.734 6.403 413 2HD LYS 54 1HD LYS 54 8.991 7.236 7.233 414 1HE LYS 54 2HE LYS 54 9.418 9.026 8.740 415 2HE LYS 54 1HE LYS 54 10.979 8.427 8.177 416 H LYS 54 H LYS 54 7.346 9.049 3.912 417 HA LYS 54 HA LYS 54 9.532 8.726 3.393 418 1HZ LYS 54 1HZ LYS 54 9.642 10.740 6.907 419 2HZ LYS 54 3HZ LYS 54 10.662 10.921 8.245 420 3HZ LYS 54 2HZ LYS 54 11.266 10.279 6.802 421 1HA GLY 55 1HA GLY 55 8.693 6.727 -0.452 422 2HA GLY 55 2HA GLY 55 6.952 6.559 -0.302 423 H GLY 55 H GLY 55 7.154 7.487 1.779 424 1HB ARG 56 2HB ARG 56 8.454 3.334 3.779 425 2HB ARG 56 1HB ARG 56 6.767 2.857 3.639 426 1HG ARG 56 2HG ARG 56 7.370 0.565 3.324 427 2HG ARG 56 1HG ARG 56 9.081 0.981 3.220 428 1HD ARG 56 2HD ARG 56 7.287 1.202 5.630 429 2HD ARG 56 1HD ARG 56 8.650 0.106 5.408 430 1HH1 ARG 56 2HH1 ARG 56 6.799 2.583 6.442 431 2HH1 ARG 56 1HH1 ARG 56 7.156 3.996 7.377 432 1HH2 ARG 56 2HH2 ARG 56 10.602 3.863 6.798 433 2HH2 ARG 56 1HH2 ARG 56 9.319 4.724 7.579 434 H ARG 56 H ARG 56 7.400 4.943 2.210 435 HA ARG 56 HA ARG 56 8.770 2.567 1.396 436 HE ARG 56 HE ARG 56 10.120 2.003 5.568 437 H VAL 57 H VAL 57 7.946 0.656 0.630 438 HA VAL 57 HA VAL 57 5.062 0.579 0.055 439 HB VAL 57 HB VAL 57 5.304 0.167 -2.156 440 1HG1 VAL 57 2HG1 VAL 57 7.951 1.485 -1.567 441 2HG1 VAL 57 1HG1 VAL 57 7.185 1.405 -3.154 442 3HG1 VAL 57 3HG1 VAL 57 6.411 2.297 -1.844 443 1HG2 VAL 57 3HG2 VAL 57 7.859 -1.241 -1.441 444 2HG2 VAL 57 2HG2 VAL 57 6.364 -1.926 -2.083 445 3HG2 VAL 57 1HG2 VAL 57 7.393 -0.932 -3.114 446 1HA GLY 58 2HA GLY 58 4.968 -3.307 1.933 447 2HA GLY 58 1HA GLY 58 5.547 -3.859 0.370 448 H GLY 58 H GLY 58 4.080 -1.416 0.142 449 1HB TYR 59 2HB TYR 59 1.257 -7.036 -1.266 450 2HB TYR 59 1HB TYR 59 1.712 -5.394 -1.713 451 H TYR 59 H TYR 59 4.171 -5.713 0.794 452 HA TYR 59 HA TYR 59 1.304 -5.217 0.579 453 HD1 TYR 59 HD1 TYR 59 4.203 -4.857 -1.922 454 HD2 TYR 59 HD2 TYR 59 2.702 -8.838 -1.695 455 HE1 TYR 59 HE1 TYR 59 6.300 -5.698 -2.888 456 HE2 TYR 59 HE2 TYR 59 4.799 -9.684 -2.661 457 HH TYR 59 HH TYR 59 7.354 -8.669 -2.696 458 1HB PRO 60 2HB PRO 60 -0.677 -8.330 4.583 459 2HB PRO 60 1HB PRO 60 0.675 -7.334 5.125 460 1HG PRO 60 2HG PRO 60 -1.508 -6.683 3.196 461 2HG PRO 60 1HG PRO 60 -0.764 -5.660 4.437 462 1HD PRO 60 2HD PRO 60 -0.140 -5.460 1.810 463 2HD PRO 60 1HD PRO 60 1.030 -5.125 3.100 464 HA PRO 60 HA PRO 60 1.867 -8.550 3.598 465 1HG1 ILE 61 2HG1 ILE 61 2.593 -10.446 0.525 466 2HG1 ILE 61 1HG1 ILE 61 2.696 -11.442 -0.921 467 H ILE 61 H ILE 61 1.872 -10.468 2.569 468 HA ILE 61 HA ILE 61 -0.540 -11.300 1.120 469 HB ILE 61 HB ILE 61 2.067 -12.782 1.044 470 1HG2 ILE 61 2HG2 ILE 61 -0.459 -13.140 -0.120 471 2HG2 ILE 61 1HG2 ILE 61 0.605 -12.594 -1.417 472 3HG2 ILE 61 3HG2 ILE 61 1.025 -14.025 -0.475 473 1HD1 ILE 61 2HD1 ILE 61 0.217 -10.655 -1.248 474 2HD1 ILE 61 1HD1 ILE 61 0.747 -9.325 -0.218 475 3HD1 ILE 61 3HD1 ILE 61 1.576 -9.644 -1.741 476 H VAL 62 H VAL 62 -1.865 -12.088 2.690 477 HA VAL 62 HA VAL 62 -0.852 -14.037 4.602 478 HB VAL 62 HB VAL 62 -3.655 -12.958 4.278 479 1HG1 VAL 62 3HG1 VAL 62 -2.344 -14.728 6.308 480 2HG1 VAL 62 2HG1 VAL 62 -3.736 -13.731 6.737 481 3HG1 VAL 62 1HG1 VAL 62 -3.879 -14.943 5.465 482 1HG2 VAL 62 1HG2 VAL 62 -1.260 -11.838 5.515 483 2HG2 VAL 62 3HG2 VAL 62 -2.775 -11.057 5.062 484 3HG2 VAL 62 2HG2 VAL 62 -2.647 -11.910 6.601 485 1HB LYS 63 2HB LYS 63 -5.194 -14.965 1.748 486 2HB LYS 63 1HB LYS 63 -4.896 -15.137 0.025 487 1HG LYS 63 2HG LYS 63 -5.142 -17.642 1.568 488 2HG LYS 63 1HG LYS 63 -6.607 -16.674 1.386 489 1HD LYS 63 2HD LYS 63 -4.929 -17.178 -1.020 490 2HD LYS 63 1HD LYS 63 -5.927 -18.494 -0.402 491 1HE LYS 63 2HE LYS 63 -7.817 -16.715 -0.398 492 2HE LYS 63 1HE LYS 63 -6.764 -15.845 -1.511 493 H LYS 63 H LYS 63 -2.821 -13.855 1.719 494 HA LYS 63 HA LYS 63 -3.207 -16.775 1.832 495 1HZ LYS 63 2HZ LYS 63 -7.055 -18.597 -2.224 496 2HZ LYS 63 1HZ LYS 63 -8.546 -17.798 -2.177 497 3HZ LYS 63 3HZ LYS 63 -7.300 -17.210 -3.161 498 1HB PRO 64 2HB PRO 64 0.562 -18.778 -1.558 499 2HB PRO 64 1HB PRO 64 1.317 -17.504 -0.600 500 1HG PRO 64 2HG PRO 64 -0.717 -19.533 0.206 501 2HG PRO 64 1HG PRO 64 0.671 -18.911 1.116 502 1HD PRO 64 2HD PRO 64 -1.849 -18.088 1.602 503 2HD PRO 64 1HD PRO 64 -0.453 -17.003 1.772 504 HA PRO 64 HA PRO 64 -0.209 -16.132 -1.586 505 1HA GLY 65 2HA GLY 65 -2.358 -17.528 -5.044 506 2HA GLY 65 1HA GLY 65 -1.981 -19.158 -4.503 507 H GLY 65 H GLY 65 0.022 -17.296 -3.682 508 1HB PRO 66 2HB PRO 66 -1.088 -18.911 -10.361 509 2HB PRO 66 1HB PRO 66 -1.377 -20.333 -9.353 510 1HG PRO 66 2HG PRO 66 -2.791 -17.693 -9.361 511 2HG PRO 66 1HG PRO 66 -3.473 -19.326 -9.250 512 1HD PRO 66 2HD PRO 66 -3.100 -17.705 -7.087 513 2HD PRO 66 1HD PRO 66 -3.060 -19.477 -6.995 514 HA PRO 66 HA PRO 66 0.423 -19.470 -8.199 515 1HB ASN 67 2HB ASN 67 0.480 -13.589 -9.888 516 2HB ASN 67 1HB ASN 67 0.606 -15.234 -10.504 517 1HD2 ASN 67 2HD2 ASN 67 -1.209 -16.558 -10.511 518 2HD2 ASN 67 1HD2 ASN 67 -2.806 -15.922 -10.338 519 H ASN 67 H ASN 67 -0.313 -16.487 -7.174 520 HA ASN 67 HA ASN 67 1.783 -15.192 -8.430 521 1HB CYS 68 2HB CYS 68 -1.255 -14.398 -4.849 522 2HB CYS 68 1HB CYS 68 -0.858 -13.445 -3.423 523 H CYS 68 H CYS 68 1.383 -15.109 -5.927 524 HA CYS 68 HA CYS 68 0.821 -12.377 -5.314 525 1HA GLY 69 2HA GLY 69 1.933 -16.226 -1.758 526 2HA GLY 69 1HA GLY 69 2.312 -14.538 -1.438 527 H GLY 69 H GLY 69 0.844 -15.555 -3.681 528 1HB PHE 70 2HB PHE 70 6.229 -12.987 -1.454 529 2HB PHE 70 1HB PHE 70 7.769 -13.815 -1.647 530 H PHE 70 H PHE 70 4.399 -14.070 -1.449 531 HA PHE 70 HA PHE 70 6.161 -15.099 -3.480 532 HD1 PHE 70 HD1 PHE 70 5.119 -12.044 -3.542 533 HD2 PHE 70 HD2 PHE 70 9.186 -13.290 -3.414 534 HE1 PHE 70 HE1 PHE 70 5.592 -10.690 -5.541 535 HE2 PHE 70 HE2 PHE 70 9.667 -11.937 -5.412 536 HZ PHE 70 HZ PHE 70 7.869 -10.635 -6.478 537 1HA GLY 71 1HA GLY 71 7.493 -17.859 -0.129 538 2HA GLY 71 2HA GLY 71 6.050 -18.784 -0.525 539 H GLY 71 H GLY 71 4.962 -16.511 -0.834 540 1HB LYS 72 2HB LYS 72 7.668 -15.182 3.495 541 2HB LYS 72 1HB LYS 72 6.711 -15.215 4.971 542 1HG LYS 72 2HG LYS 72 8.068 -16.707 5.880 543 2HG LYS 72 1HG LYS 72 7.872 -17.793 4.503 544 1HD LYS 72 2HD LYS 72 9.602 -15.460 4.031 545 2HD LYS 72 1HD LYS 72 10.213 -16.628 5.202 546 1HE LYS 72 2HE LYS 72 9.108 -17.798 2.746 547 2HE LYS 72 1HE LYS 72 10.551 -16.812 2.514 548 H LYS 72 H LYS 72 6.915 -16.037 1.583 549 HA LYS 72 HA LYS 72 5.829 -17.488 3.868 550 1HZ LYS 72 3HZ LYS 72 10.825 -18.549 4.752 551 2HZ LYS 72 2HZ LYS 72 10.470 -19.423 3.348 552 3HZ LYS 72 1HZ LYS 72 11.813 -18.396 3.387 553 H THR 73 H THR 73 4.685 -15.973 5.528 554 HA THR 73 HA THR 73 2.621 -14.453 4.070 555 HB THR 73 HB THR 73 1.053 -15.052 5.880 556 HG1 THR 73 HG1 THR 73 2.650 -17.105 6.826 557 1HG2 THR 73 2HG2 THR 73 2.146 -16.820 3.904 558 2HG2 THR 73 1HG2 THR 73 1.632 -17.751 5.312 559 3HG2 THR 73 3HG2 THR 73 0.486 -16.695 4.486 560 1HA GLY 74 2HA GLY 74 4.054 -11.316 6.787 561 2HA GLY 74 1HA GLY 74 2.326 -10.985 6.762 562 H GLY 74 H GLY 74 2.589 -12.349 4.489 563 1HG1 ILE 75 1HG1 ILE 75 1.920 -5.545 5.267 564 2HG1 ILE 75 2HG1 ILE 75 1.756 -6.594 6.672 565 H ILE 75 H ILE 75 3.414 -8.746 6.815 566 HA ILE 75 HA ILE 75 2.928 -7.465 4.380 567 HB ILE 75 HB ILE 75 4.195 -6.626 6.944 568 1HG2 ILE 75 1HG2 ILE 75 4.372 -5.089 4.364 569 2HG2 ILE 75 3HG2 ILE 75 4.521 -4.332 5.950 570 3HG2 ILE 75 2HG2 ILE 75 5.686 -5.557 5.443 571 1HD1 ILE 75 2HD1 ILE 75 3.152 -4.576 7.760 572 2HD1 ILE 75 1HD1 ILE 75 2.259 -3.705 6.513 573 3HD1 ILE 75 3HD1 ILE 75 1.390 -4.648 7.724 574 1HG1 ILE 76 1HG1 ILE 76 5.283 -9.959 2.091 575 2HG1 ILE 76 2HG1 ILE 76 4.189 -9.747 0.728 576 H ILE 76 H ILE 76 4.066 -7.484 2.575 577 HA ILE 76 HA ILE 76 6.881 -8.230 2.634 578 HB ILE 76 HB ILE 76 5.076 -7.743 0.264 579 1HG2 ILE 76 1HG2 ILE 76 7.903 -8.685 0.537 580 2HG2 ILE 76 3HG2 ILE 76 6.919 -9.160 -0.847 581 3HG2 ILE 76 2HG2 ILE 76 7.235 -7.454 -0.534 582 1HD1 ILE 76 1HD1 ILE 76 6.989 -10.827 0.544 583 2HD1 ILE 76 3HD1 ILE 76 5.517 -11.797 0.569 584 3HD1 ILE 76 2HD1 ILE 76 5.824 -10.694 -0.773 585 1HB ASP 77 2HB ASP 77 6.806 -3.867 4.212 586 2HB ASP 77 1HB ASP 77 8.519 -3.756 4.601 587 H ASP 77 H ASP 77 7.733 -6.311 3.541 588 HA ASP 77 HA ASP 77 7.688 -3.984 1.735 589 1HB TYR 78 2HB TYR 78 10.812 -4.668 -0.988 590 2HB TYR 78 1HB TYR 78 12.338 -3.789 -0.965 591 H TYR 78 H TYR 78 9.487 -3.842 0.575 592 HA TYR 78 HA TYR 78 11.976 -4.965 1.602 593 HD1 TYR 78 HD1 TYR 78 10.771 -7.096 -0.592 594 HD2 TYR 78 HD2 TYR 78 14.436 -4.947 -0.806 595 HE1 TYR 78 HE1 TYR 78 11.987 -9.212 -0.893 596 HE2 TYR 78 HE2 TYR 78 15.663 -7.056 -1.109 597 HH TYR 78 HH TYR 78 15.288 -9.318 -1.828 598 1HA GLY 79 2HA GLY 79 13.065 -0.855 2.752 599 2HA GLY 79 1HA GLY 79 11.452 -0.314 3.215 600 H GLY 79 H GLY 79 10.623 -2.303 2.387 601 1HG1 ILE 80 2HG1 ILE 80 12.747 3.592 3.075 602 2HG1 ILE 80 1HG1 ILE 80 12.399 5.217 2.496 603 H ILE 80 H ILE 80 12.652 1.725 2.378 604 HA ILE 80 HA ILE 80 11.398 2.608 0.073 605 HB ILE 80 HB ILE 80 13.989 3.746 1.092 606 1HG2 ILE 80 1HG2 ILE 80 11.649 4.849 -0.432 607 2HG2 ILE 80 3HG2 ILE 80 12.801 5.892 0.404 608 3HG2 ILE 80 2HG2 ILE 80 13.352 4.830 -0.890 609 1HD1 ILE 80 1HD1 ILE 80 10.426 3.659 1.348 610 2HD1 ILE 80 3HD1 ILE 80 10.614 3.006 2.976 611 3HD1 ILE 80 2HD1 ILE 80 10.261 4.720 2.748 612 1HB ARG 81 2HB ARG 81 12.213 2.766 -4.532 613 2HB ARG 81 1HB ARG 81 13.360 1.591 -5.162 614 1HG ARG 81 2HG ARG 81 11.846 0.492 -2.967 615 2HG ARG 81 1HG ARG 81 10.787 1.099 -4.241 616 1HD ARG 81 2HD ARG 81 11.682 -0.334 -5.841 617 2HD ARG 81 1HD ARG 81 13.150 -0.614 -4.906 618 1HH1 ARG 81 2HH1 ARG 81 10.883 -1.519 -6.704 619 2HH1 ARG 81 1HH1 ARG 81 9.942 -2.972 -6.773 620 1HH2 ARG 81 1HH2 ARG 81 10.413 -3.779 -3.402 621 2HH2 ARG 81 2HH2 ARG 81 9.674 -4.257 -4.894 622 H ARG 81 H ARG 81 12.183 3.106 -2.019 623 HA ARG 81 HA ARG 81 14.296 1.281 -2.917 624 HE ARG 81 HE ARG 81 11.648 -1.863 -3.324 625 1HB LEU 82 2HB LEU 82 17.164 3.823 -3.031 626 2HB LEU 82 1HB LEU 82 17.479 5.237 -4.013 627 H LEU 82 H LEU 82 14.364 4.170 -1.735 628 HA LEU 82 HA LEU 82 15.697 5.999 -1.927 629 HG LEU 82 HG LEU 82 19.167 5.022 -2.288 630 1HD1 LEU 82 2HD1 LEU 82 18.141 7.287 -2.994 631 2HD1 LEU 82 1HD1 LEU 82 17.446 7.290 -1.374 632 3HD1 LEU 82 3HD1 LEU 82 19.196 7.227 -1.583 633 1HD2 LEU 82 1HD2 LEU 82 16.789 4.782 -0.511 634 2HD2 LEU 82 3HD2 LEU 82 18.295 3.864 -0.513 635 3HD2 LEU 82 2HD2 LEU 82 18.264 5.509 0.124 636 1HB ASN 83 2HB ASN 83 14.977 5.884 -6.561 637 2HB ASN 83 1HB ASN 83 13.371 5.665 -7.249 638 1HD2 ASN 83 2HD2 ASN 83 12.375 7.508 -8.273 639 2HD2 ASN 83 1HD2 ASN 83 13.370 8.690 -9.043 640 H ASN 83 H ASN 83 13.397 5.499 -3.810 641 HA ASN 83 HA ASN 83 13.634 7.878 -5.309 642 1HB ARG 84 2HB ARG 84 9.627 9.854 -5.011 643 2HB ARG 84 1HB ARG 84 8.088 9.029 -4.809 644 1HG ARG 84 2HG ARG 84 8.697 9.669 -2.655 645 2HG ARG 84 1HG ARG 84 9.125 7.960 -2.741 646 1HD ARG 84 2HD ARG 84 10.985 8.929 -1.738 647 2HD ARG 84 1HD ARG 84 11.458 8.796 -3.432 648 1HH1 ARG 84 2HH1 ARG 84 12.564 9.652 -1.097 649 2HH1 ARG 84 1HH1 ARG 84 13.368 11.105 -0.604 650 1HH2 ARG 84 2HH2 ARG 84 11.563 13.180 -2.761 651 2HH2 ARG 84 1HH2 ARG 84 12.799 13.111 -1.550 652 H ARG 84 H ARG 84 11.632 8.603 -5.111 653 HA ARG 84 HA ARG 84 9.379 6.850 -4.822 654 HE ARG 84 HE ARG 84 10.510 11.262 -3.404 655 1HB SER 85 2HB SER 85 10.739 8.118 -9.759 656 2HB SER 85 1HB SER 85 11.390 6.483 -9.640 657 H SER 85 H SER 85 10.457 6.213 -7.219 658 HA SER 85 HA SER 85 8.533 7.345 -9.142 659 HG SER 85 HG SER 85 10.304 7.651 -11.749 660 1HB GLU 86 2HB GLU 86 8.091 2.198 -6.529 661 2HB GLU 86 1HB GLU 86 9.102 1.148 -7.509 662 1HG GLU 86 2HG GLU 86 9.998 3.700 -6.197 663 2HG GLU 86 1HG GLU 86 10.310 2.070 -5.603 664 H GLU 86 H GLU 86 9.298 4.673 -7.408 665 HA GLU 86 HA GLU 86 9.119 2.590 -9.303 666 1HB ARG 87 2HB ARG 87 4.124 1.010 -11.363 667 2HB ARG 87 1HB ARG 87 5.770 1.512 -11.710 668 1HG ARG 87 2HG ARG 87 6.081 -0.818 -10.252 669 2HG ARG 87 1HG ARG 87 4.692 -1.136 -11.291 670 1HD ARG 87 2HD ARG 87 6.698 0.199 -12.816 671 2HD ARG 87 1HD ARG 87 7.436 -1.164 -11.974 672 1HH1 ARG 87 1HH1 ARG 87 8.405 -2.064 -13.132 673 2HH1 ARG 87 2HH1 ARG 87 8.488 -3.339 -14.301 674 1HH2 ARG 87 1HH2 ARG 87 5.068 -3.289 -15.026 675 2HH2 ARG 87 2HH2 ARG 87 6.590 -4.036 -15.378 676 H ARG 87 H ARG 87 7.338 1.053 -9.510 677 HA ARG 87 HA ARG 87 4.761 2.451 -9.592 678 HE ARG 87 HE ARG 87 4.969 -1.612 -13.485 679 1HB TRP 88 2HB TRP 88 3.820 1.357 -5.504 680 2HB TRP 88 1HB TRP 88 2.882 0.005 -4.886 681 H TRP 88 H TRP 88 3.208 1.878 -8.241 682 HA TRP 88 HA TRP 88 2.896 -0.845 -7.334 683 HD1 TRP 88 HD1 TRP 88 6.278 1.018 -5.037 684 HE1 TRP 88 HE1 TRP 88 7.908 -0.971 -4.987 685 HE3 TRP 88 HE3 TRP 88 3.007 -2.728 -6.203 686 HZ2 TRP 88 HZ2 TRP 88 7.809 -3.771 -5.376 687 HZ3 TRP 88 HZ3 TRP 88 3.855 -5.033 -6.345 688 HH2 TRP 88 HH2 TRP 88 6.207 -5.541 -5.942 689 1HB ASP 89 2HB ASP 89 -0.694 -1.175 -4.561 690 2HB ASP 89 1HB ASP 89 -2.103 -0.148 -4.305 691 H ASP 89 H ASP 89 1.393 -0.014 -4.994 692 HA ASP 89 HA ASP 89 -0.939 1.238 -6.288 693 H ALA 90 H ALA 90 -2.262 1.096 -3.561 694 HA ALA 90 HA ALA 90 -0.686 2.747 -1.842 695 1HB ALA 90 3HB ALA 90 -1.115 4.523 -3.298 696 2HB ALA 90 1HB ALA 90 -2.297 4.716 -2.001 697 3HB ALA 90 2HB ALA 90 -2.792 4.031 -3.549 698 1HB TYR 91 2HB TYR 91 -1.349 1.426 2.176 699 2HB TYR 91 1HB TYR 91 -2.835 1.129 3.071 700 H TYR 91 H TYR 91 -1.333 2.441 0.172 701 HA TYR 91 HA TYR 91 -3.893 1.131 0.641 702 HD1 TYR 91 HD1 TYR 91 -4.324 -0.787 1.682 703 HD2 TYR 91 HD2 TYR 91 -0.088 -0.480 1.913 704 HE1 TYR 91 HE1 TYR 91 -4.132 -3.192 1.221 705 HE2 TYR 91 HE2 TYR 91 0.118 -2.886 1.447 706 HH TYR 91 HH TYR 91 -1.753 -4.667 0.103 707 1HB CYS 92 2HB CYS 92 -6.973 4.047 -0.013 708 2HB CYS 92 1HB CYS 92 -7.614 5.174 1.176 709 H CYS 92 H CYS 92 -5.036 3.141 0.104 710 HA CYS 92 HA CYS 92 -4.891 5.552 1.383 711 1HB TYR 93 2HB TYR 93 -4.841 4.775 5.579 712 2HB TYR 93 1HB TYR 93 -4.976 6.507 5.871 713 H TYR 93 H TYR 93 -6.150 6.506 3.095 714 HA TYR 93 HA TYR 93 -7.317 4.762 5.086 715 HD1 TYR 93 HD1 TYR 93 -7.238 6.954 7.471 716 HD2 TYR 93 HD2 TYR 93 -4.656 3.571 7.532 717 HE1 TYR 93 HE1 TYR 93 -7.883 6.513 9.802 718 HE2 TYR 93 HE2 TYR 93 -5.296 3.119 9.863 719 HH TYR 93 HH TYR 93 -6.538 3.750 11.590 720 1HB ASN 94 2HB ASN 94 -9.768 7.866 4.033 721 2HB ASN 94 1HB ASN 94 -11.205 8.382 4.910 722 1HD2 ASN 94 2HD2 ASN 94 -11.486 10.318 3.965 723 2HD2 ASN 94 1HD2 ASN 94 -10.366 11.630 4.080 724 H ASN 94 H ASN 94 -8.975 5.764 6.047 725 HA ASN 94 HA ASN 94 -8.995 8.525 6.697 726 1HB PRO 95 2HB PRO 95 -12.411 8.671 10.950 727 2HB PRO 95 1HB PRO 95 -10.990 7.638 11.149 728 1HG PRO 95 2HG PRO 95 -11.246 10.267 9.744 729 2HG PRO 95 1HG PRO 95 -9.942 9.678 10.791 730 1HD PRO 95 2HD PRO 95 -9.743 9.696 8.096 731 2HD PRO 95 1HD PRO 95 -8.969 8.452 9.100 732 HA PRO 95 HA PRO 95 -11.908 6.477 9.397 733 1HB HIS 96 2HB HIS 96 -14.101 11.086 7.696 734 2HB HIS 96 1HB HIS 96 -13.799 10.893 5.971 735 H HIS 96 H HIS 96 -12.423 8.819 7.069 736 HA HIS 96 HA HIS 96 -15.320 8.863 7.609 737 HD1 HIS 96 HD1 HIS 96 -15.228 13.029 5.511 738 HD2 HIS 96 HD2 HIS 96 -17.317 9.882 7.242 739 HE1 HIS 96 HE1 HIS 96 -17.661 13.610 5.245 740 HE2 HIS 96 HE2 HIS 96 -18.908 11.663 6.246 741 H ALA 97 H ALA 97 -12.898 7.722 5.584 742 HA ALA 97 HA ALA 97 -14.472 7.689 3.153 743 1HB ALA 97 2HB ALA 97 -11.769 6.554 3.846 744 2HB ALA 97 3HB ALA 97 -12.128 7.973 2.861 745 3HB ALA 97 1HB ALA 97 -12.533 6.361 2.268 746 1HB LYS 98 2HB LYS 98 -15.572 4.546 6.783 747 2HB LYS 98 1HB LYS 98 -17.328 4.482 6.681 748 1HG LYS 98 2HG LYS 98 -17.386 2.218 6.643 749 2HG LYS 98 1HG LYS 98 -15.848 2.083 5.790 750 1HD LYS 98 2HD LYS 98 -14.974 3.106 8.109 751 2HD LYS 98 1HD LYS 98 -16.404 2.253 8.690 752 1HE LYS 98 2HE LYS 98 -15.195 0.453 6.964 753 2HE LYS 98 1HE LYS 98 -13.847 1.207 7.814 754 H LYS 98 H LYS 98 -16.040 6.492 4.897 755 HA LYS 98 HA LYS 98 -15.773 3.621 4.292 756 1HZ LYS 98 2HZ LYS 98 -16.171 0.258 9.344 757 2HZ LYS 98 1HZ LYS 98 -15.014 -0.858 8.818 758 3HZ LYS 98 3HZ LYS 98 -14.560 0.418 9.833 No H/Q in entry = 758 Start of MODEL 19 1 1HA GLY 1 2HA GLY 1 -9.212 1.674 8.663 2 2HA GLY 1 1HA GLY 1 -9.625 3.374 8.508 3 H1 GLY 1 2H GLY 1 -11.500 2.754 7.109 4 H2 GLY 1 1H GLY 1 -11.103 1.117 7.268 5 H3 GLY 1 3H GLY 1 -11.600 2.004 8.622 6 H VAL 2 H VAL 2 -7.370 1.395 7.578 7 HA VAL 2 HA VAL 2 -6.764 2.881 5.190 8 HB VAL 2 HB VAL 2 -4.852 2.454 6.437 9 1HG1 VAL 2 1HG1 VAL 2 -6.279 0.229 7.374 10 2HG1 VAL 2 3HG1 VAL 2 -4.779 -0.401 6.693 11 3HG1 VAL 2 2HG1 VAL 2 -4.726 0.837 7.950 12 1HG2 VAL 2 3HG2 VAL 2 -4.964 1.499 3.909 13 2HG2 VAL 2 2HG2 VAL 2 -3.490 1.576 4.875 14 3HG2 VAL 2 1HG2 VAL 2 -4.401 0.069 4.777 15 1HB TYR 3 2HB TYR 3 -9.330 0.457 0.752 16 2HB TYR 3 1HB TYR 3 -9.908 0.598 2.405 17 H TYR 3 H TYR 3 -7.180 2.318 3.159 18 HA TYR 3 HA TYR 3 -7.837 -0.493 2.597 19 HD1 TYR 3 HD1 TYR 3 -8.607 2.951 3.450 20 HD2 TYR 3 HD2 TYR 3 -10.101 2.246 -0.469 21 HE1 TYR 3 HE1 TYR 3 -8.915 5.372 3.139 22 HE2 TYR 3 HE2 TYR 3 -10.406 4.664 -0.795 23 HH TYR 3 HH TYR 3 -9.680 6.974 1.801 24 1HB HIS 4 2HB HIS 4 -4.586 -2.073 -1.335 25 2HB HIS 4 1HB HIS 4 -6.044 -2.574 -0.490 26 H HIS 4 H HIS 4 -7.572 -1.080 0.287 27 HA HIS 4 HA HIS 4 -5.048 0.017 -0.680 28 HD1 HIS 4 HD1 HIS 4 -8.261 -2.678 -2.025 29 HD2 HIS 4 HD2 HIS 4 -4.628 -2.481 -4.032 30 HE1 HIS 4 HE1 HIS 4 -8.752 -3.415 -4.379 31 HE2 HIS 4 HE2 HIS 4 -6.555 -3.210 -5.594 32 1HB ARG 5 2HB ARG 5 -5.560 3.353 -3.143 33 2HB ARG 5 1HB ARG 5 -6.195 3.611 -4.761 34 1HG ARG 5 2HG ARG 5 -7.984 2.606 -2.591 35 2HG ARG 5 1HG ARG 5 -7.596 4.324 -2.709 36 1HD ARG 5 2HD ARG 5 -8.485 4.430 -4.937 37 2HD ARG 5 1HD ARG 5 -8.718 2.683 -4.973 38 1HH1 ARG 5 1HH1 ARG 5 -9.828 1.419 -4.737 39 2HH1 ARG 5 2HH1 ARG 5 -11.428 0.879 -4.349 40 1HH2 ARG 5 1HH2 ARG 5 -12.398 3.894 -2.871 41 2HH2 ARG 5 2HH2 ARG 5 -12.889 2.288 -3.289 42 H ARG 5 H ARG 5 -4.749 0.840 -2.735 43 HA ARG 5 HA ARG 5 -7.098 1.150 -4.452 44 HE ARG 5 HE ARG 5 -10.289 4.594 -3.385 45 1HB GLU 6 2HB GLU 6 -6.523 1.087 -8.700 46 2HB GLU 6 1HB GLU 6 -5.127 1.283 -9.751 47 1HG GLU 6 2HG GLU 6 -5.764 -1.032 -9.661 48 2HG GLU 6 1HG GLU 6 -4.197 -0.815 -8.883 49 H GLU 6 H GLU 6 -6.481 2.093 -6.606 50 HA GLU 6 HA GLU 6 -3.856 1.030 -7.400 51 H ALA 7 H ALA 7 -3.323 2.139 -9.714 52 HA ALA 7 HA ALA 7 -2.476 4.758 -9.075 53 1HB ALA 7 1HB ALA 7 -1.563 4.834 -11.298 54 2HB ALA 7 2HB ALA 7 -2.574 3.481 -11.804 55 3HB ALA 7 3HB ALA 7 -1.288 3.228 -10.624 56 1HB ARG 8 2HB ARG 8 -3.047 7.907 -12.569 57 2HB ARG 8 1HB ARG 8 -4.538 8.145 -13.470 58 1HG ARG 8 2HG ARG 8 -4.779 9.508 -10.993 59 2HG ARG 8 1HG ARG 8 -3.226 9.934 -11.714 60 1HD ARG 8 2HD ARG 8 -4.182 10.969 -13.503 61 2HD ARG 8 1HD ARG 8 -5.597 9.917 -13.493 62 1HH1 ARG 8 2HH1 ARG 8 -3.404 12.400 -12.749 63 2HH1 ARG 8 1HH1 ARG 8 -3.621 13.973 -12.055 64 1HH2 ARG 8 2HH2 ARG 8 -6.892 13.368 -10.980 65 2HH2 ARG 8 1HH2 ARG 8 -5.603 14.523 -11.049 66 H ARG 8 H ARG 8 -2.842 6.312 -11.267 67 HA ARG 8 HA ARG 8 -5.282 7.553 -10.805 68 HE ARG 8 HE ARG 8 -6.597 11.300 -11.895 69 1HB SER 9 2HB SER 9 -6.867 6.172 -14.884 70 2HB SER 9 1HB SER 9 -5.864 5.062 -15.820 71 H SER 9 H SER 9 -4.501 4.880 -12.864 72 HA SER 9 HA SER 9 -7.213 4.204 -13.266 73 HG SER 9 HG SER 9 -8.010 3.713 -15.352 74 1HA GLY 10 2HA GLY 10 -3.766 1.182 -14.192 75 2HA GLY 10 1HA GLY 10 -5.256 0.383 -13.712 76 H GLY 10 H GLY 10 -5.143 2.752 -12.276 77 1HB LYS 11 2HB LYS 11 -4.501 -2.630 -10.823 78 2HB LYS 11 1HB LYS 11 -3.104 -3.428 -11.533 79 1HG LYS 11 2HG LYS 11 -2.048 -2.991 -9.172 80 2HG LYS 11 1HG LYS 11 -3.740 -2.902 -8.675 81 1HD LYS 11 2HD LYS 11 -3.720 -5.126 -8.553 82 2HD LYS 11 1HD LYS 11 -3.610 -5.145 -10.314 83 1HE LYS 11 2HE LYS 11 -1.368 -5.581 -10.309 84 2HE LYS 11 1HE LYS 11 -1.103 -4.773 -8.764 85 H LYS 11 H LYS 11 -3.646 -1.258 -12.996 86 HA LYS 11 HA LYS 11 -2.928 -0.730 -10.198 87 1HZ LYS 11 2HZ LYS 11 -2.465 -7.392 -9.085 88 2HZ LYS 11 1HZ LYS 11 -0.846 -7.196 -8.634 89 3HZ LYS 11 3HZ LYS 11 -2.082 -6.631 -7.624 90 1HB TYR 12 2HB TYR 12 0.520 -3.372 -11.354 91 2HB TYR 12 1HB TYR 12 2.230 -2.952 -11.316 92 H TYR 12 H TYR 12 -0.892 -1.159 -9.400 93 HA TYR 12 HA TYR 12 1.385 -1.264 -9.433 94 HD1 TYR 12 HD1 TYR 12 0.717 -2.465 -8.137 95 HD2 TYR 12 HD2 TYR 12 2.338 -5.456 -10.691 96 HE1 TYR 12 HE1 TYR 12 1.041 -3.940 -6.194 97 HE2 TYR 12 HE2 TYR 12 2.663 -6.939 -8.758 98 HH TYR 12 HH TYR 12 1.688 -7.223 -6.471 99 1HB LYS 13 2HB LYS 13 1.434 2.549 -14.002 100 2HB LYS 13 1HB LYS 13 1.381 0.794 -13.937 101 1HG LYS 13 2HG LYS 13 -0.747 0.757 -13.243 102 2HG LYS 13 1HG LYS 13 -0.523 2.130 -12.157 103 1HD LYS 13 2HD LYS 13 -1.923 3.076 -13.698 104 2HD LYS 13 1HD LYS 13 -0.364 3.459 -14.431 105 1HE LYS 13 2HE LYS 13 -1.776 0.916 -15.125 106 2HE LYS 13 1HE LYS 13 -2.248 2.432 -15.892 107 H LYS 13 H LYS 13 1.109 1.035 -10.306 108 HA LYS 13 HA LYS 13 3.005 1.452 -12.349 109 1HZ LYS 13 2HZ LYS 13 0.173 2.684 -16.481 110 2HZ LYS 13 1HZ LYS 13 0.378 1.071 -16.016 111 3HZ LYS 13 3HZ LYS 13 -0.660 1.458 -17.296 112 1HB LEU 14 2HB LEU 14 0.260 5.674 -8.373 113 2HB LEU 14 1HB LEU 14 -0.527 4.423 -9.301 114 H LEU 14 H LEU 14 1.343 2.459 -9.738 115 HA LEU 14 HA LEU 14 1.505 5.305 -10.372 116 HG LEU 14 HG LEU 14 1.015 2.926 -7.650 117 1HD1 LEU 14 2HD1 LEU 14 0.742 5.578 -6.447 118 2HD1 LEU 14 1HD1 LEU 14 0.216 4.252 -5.409 119 3HD1 LEU 14 3HD1 LEU 14 1.853 4.262 -6.064 120 1HD2 LEU 14 2HD2 LEU 14 -1.723 3.550 -8.011 121 2HD2 LEU 14 1HD2 LEU 14 -1.013 2.107 -7.287 122 3HD2 LEU 14 3HD2 LEU 14 -1.409 3.497 -6.276 123 H THR 15 H THR 15 2.389 6.733 -8.591 124 HA THR 15 HA THR 15 4.860 5.521 -7.525 125 HB THR 15 HB THR 15 6.032 7.548 -7.882 126 HG1 THR 15 HG1 THR 15 4.674 9.172 -7.366 127 1HG2 THR 15 2HG2 THR 15 4.290 6.750 -10.189 128 2HG2 THR 15 1HG2 THR 15 5.456 8.062 -10.354 129 3HG2 THR 15 3HG2 THR 15 6.007 6.441 -9.932 130 1HB TYR 16 2HB TYR 16 6.554 7.795 -3.664 131 2HB TYR 16 1HB TYR 16 6.363 9.427 -4.294 132 H TYR 16 H TYR 16 5.594 7.931 -6.135 133 HA TYR 16 HA TYR 16 4.103 7.499 -3.705 134 HD1 TYR 16 HD1 TYR 16 5.254 7.303 -1.431 135 HD2 TYR 16 HD2 TYR 16 6.279 11.196 -2.805 136 HE1 TYR 16 HE1 TYR 16 5.056 8.158 0.864 137 HE2 TYR 16 HE2 TYR 16 6.082 12.064 -0.513 138 HH TYR 16 HH TYR 16 5.807 11.534 1.640 139 H ALA 17 H ALA 17 4.915 10.390 -5.634 140 HA ALA 17 HA ALA 17 3.118 12.119 -4.357 141 1HB ALA 17 2HB ALA 17 4.985 12.837 -5.831 142 2HB ALA 17 1HB ALA 17 4.049 12.288 -7.220 143 3HB ALA 17 3HB ALA 17 3.448 13.609 -6.220 144 1HB GLU 18 2HB GLU 18 1.772 8.185 -8.114 145 2HB GLU 18 1HB GLU 18 0.097 8.190 -8.612 146 1HG GLU 18 2HG GLU 18 0.500 9.649 -10.322 147 2HG GLU 18 1HG GLU 18 1.935 10.324 -9.566 148 H GLU 18 H GLU 18 2.719 9.817 -6.953 149 HA GLU 18 HA GLU 18 0.161 10.689 -7.826 150 H ALA 19 H ALA 19 1.104 7.811 -6.024 151 HA ALA 19 HA ALA 19 -1.275 6.851 -5.165 152 1HB ALA 19 1HB ALA 19 0.205 5.476 -4.229 153 2HB ALA 19 2HB ALA 19 0.324 6.629 -2.900 154 3HB ALA 19 3HB ALA 19 1.458 6.718 -4.250 155 1HB LYS 20 2HB LYS 20 1.200 10.803 -1.794 156 2HB LYS 20 1HB LYS 20 0.456 12.027 -2.814 157 1HG LYS 20 2HG LYS 20 -0.809 12.885 -0.969 158 2HG LYS 20 1HG LYS 20 -0.271 11.564 0.070 159 1HD LYS 20 2HD LYS 20 1.864 12.417 0.277 160 2HD LYS 20 1HD LYS 20 1.752 13.341 -1.222 161 1HE LYS 20 2HE LYS 20 0.182 14.882 -0.160 162 2HE LYS 20 1HE LYS 20 0.273 13.953 1.335 163 H LYS 20 H LYS 20 0.563 9.442 -3.593 164 HA LYS 20 HA LYS 20 -1.132 9.871 -1.432 165 1HZ LYS 20 3HZ LYS 20 2.726 15.055 0.134 166 2HZ LYS 20 2HZ LYS 20 1.722 16.049 1.063 167 3HZ LYS 20 1HZ LYS 20 2.409 14.666 1.750 168 H ALA 21 H ALA 21 -1.124 11.317 -4.662 169 HA ALA 21 HA ALA 21 -3.224 13.148 -4.203 170 1HB ALA 21 2HB ALA 21 -3.431 13.133 -6.714 171 2HB ALA 21 3HB ALA 21 -2.172 11.897 -6.732 172 3HB ALA 21 1HB ALA 21 -1.823 13.502 -6.088 173 H VAL 22 H VAL 22 -3.221 9.887 -5.628 174 HA VAL 22 HA VAL 22 -5.911 9.664 -6.238 175 HB VAL 22 HB VAL 22 -3.723 7.770 -5.655 176 1HG1 VAL 22 1HG1 VAL 22 -5.434 6.889 -4.180 177 2HG1 VAL 22 3HG1 VAL 22 -6.605 6.910 -5.498 178 3HG1 VAL 22 2HG1 VAL 22 -5.212 5.830 -5.573 179 1HG2 VAL 22 3HG2 VAL 22 -4.259 8.526 -7.915 180 2HG2 VAL 22 2HG2 VAL 22 -4.476 6.783 -7.752 181 3HG2 VAL 22 1HG2 VAL 22 -5.880 7.850 -7.760 182 1HB CYS 23 2HB CYS 23 -3.727 9.204 -1.101 183 2HB CYS 23 1HB CYS 23 -4.903 9.270 0.204 184 H CYS 23 H CYS 23 -4.234 9.234 -3.188 185 HA CYS 23 HA CYS 23 -6.466 8.240 -1.726 186 1HB GLU 24 2HB GLU 24 -4.269 13.343 -1.347 187 2HB GLU 24 1HB GLU 24 -5.461 14.528 -1.862 188 1HG GLU 24 2HG GLU 24 -5.977 14.937 0.545 189 2HG GLU 24 1HG GLU 24 -4.621 13.886 0.954 190 H GLU 24 H GLU 24 -4.788 11.368 -1.588 191 HA GLU 24 HA GLU 24 -6.682 12.690 -0.022 192 1HB PHE 25 2HB PHE 25 -7.389 12.186 -5.646 193 2HB PHE 25 1HB PHE 25 -8.318 10.771 -5.159 194 H PHE 25 H PHE 25 -7.036 11.516 -3.119 195 HA PHE 25 HA PHE 25 -8.776 13.582 -4.132 196 HD1 PHE 25 HD1 PHE 25 -8.525 14.027 -6.887 197 HD2 PHE 25 HD2 PHE 25 -10.405 10.284 -6.133 198 HE1 PHE 25 HE1 PHE 25 -10.161 14.495 -8.665 199 HE2 PHE 25 HE2 PHE 25 -12.044 10.746 -7.910 200 HZ PHE 25 HZ PHE 25 -11.924 12.854 -9.177 201 1HB GLU 26 2HB GLU 26 -9.900 8.583 -1.803 202 2HB GLU 26 1HB GLU 26 -11.500 8.452 -1.088 203 1HG GLU 26 2HG GLU 26 -12.066 8.709 -3.753 204 2HG GLU 26 1HG GLU 26 -10.578 7.762 -3.762 205 H GLU 26 H GLU 26 -9.048 10.545 -2.438 206 HA GLU 26 HA GLU 26 -11.953 10.540 -2.696 207 1HA GLY 27 1HA GLY 27 -11.700 12.320 1.388 208 2HA GLY 27 2HA GLY 27 -10.416 13.460 1.005 209 H GLY 27 H GLY 27 -9.728 12.015 -0.771 210 1HA GLY 28 2HA GLY 28 -8.025 9.308 2.553 211 2HA GLY 28 1HA GLY 28 -8.082 10.710 3.616 212 H GLY 28 H GLY 28 -8.645 10.937 0.723 213 1HB HIS 29 2HB HIS 29 -2.700 10.573 4.197 214 2HB HIS 29 1HB HIS 29 -3.123 11.930 3.158 215 H HIS 29 H HIS 29 -5.815 9.181 3.460 216 HA HIS 29 HA HIS 29 -3.961 10.508 1.652 217 HD1 HIS 29 HD1 HIS 29 -4.735 9.781 5.845 218 HD2 HIS 29 HD2 HIS 29 -4.973 13.600 4.227 219 HE1 HIS 29 HE1 HIS 29 -6.387 11.019 7.283 220 HE2 HIS 29 HE2 HIS 29 -6.450 13.352 6.336 221 1HB LEU 30 2HB LEU 30 0.495 8.850 2.287 222 2HB LEU 30 1HB LEU 30 0.848 7.135 2.263 223 H LEU 30 H LEU 30 -1.623 9.658 2.240 224 HA LEU 30 HA LEU 30 -1.701 6.845 1.883 225 HG LEU 30 HG LEU 30 -0.510 8.612 0.008 226 1HD1 LEU 30 2HD1 LEU 30 1.970 9.166 0.629 227 2HD1 LEU 30 1HD1 LEU 30 2.294 7.609 -0.132 228 3HD1 LEU 30 3HD1 LEU 30 1.508 8.892 -1.051 229 1HD2 LEU 30 2HD2 LEU 30 -0.992 6.197 0.163 230 2HD2 LEU 30 1HD2 LEU 30 -0.070 6.620 -1.279 231 3HD2 LEU 30 3HD2 LEU 30 0.739 5.870 0.097 232 H ALA 31 H ALA 31 -1.968 5.354 3.401 233 HA ALA 31 HA ALA 31 -2.025 5.887 6.155 234 1HB ALA 31 1HB ALA 31 -2.167 3.470 4.469 235 2HB ALA 31 3HB ALA 31 -1.711 3.232 6.156 236 3HB ALA 31 2HB ALA 31 -3.236 4.025 5.758 237 H THR 32 H THR 32 -0.680 3.847 7.388 238 HA THR 32 HA THR 32 2.160 4.363 6.828 239 HB THR 32 HB THR 32 2.637 5.169 8.877 240 HG1 THR 32 HG1 THR 32 2.283 3.579 10.270 241 1HG2 THR 32 1HG2 THR 32 0.291 6.207 7.973 242 2HG2 THR 32 3HG2 THR 32 -0.159 5.702 9.601 243 3HG2 THR 32 2HG2 THR 32 1.183 6.820 9.364 244 1HB TYR 33 2HB TYR 33 5.256 1.272 8.103 245 2HB TYR 33 1HB TYR 33 4.832 0.976 9.783 246 H TYR 33 H TYR 33 3.566 2.849 8.210 247 HA TYR 33 HA TYR 33 2.997 0.200 7.524 248 HD1 TYR 33 HD1 TYR 33 5.428 -0.710 6.533 249 HD2 TYR 33 HD2 TYR 33 5.141 -1.142 10.756 250 HE1 TYR 33 HE1 TYR 33 6.307 -3.000 6.353 251 HE2 TYR 33 HE2 TYR 33 6.020 -3.431 10.587 252 HH TYR 33 HH TYR 33 6.771 -5.021 9.239 253 1HB LYS 34 2HB LYS 34 2.501 2.292 12.679 254 2HB LYS 34 1HB LYS 34 0.806 2.078 13.083 255 1HG LYS 34 2HG LYS 34 1.349 1.176 15.024 256 2HG LYS 34 1HG LYS 34 2.307 -0.068 14.216 257 1HD LYS 34 2HD LYS 34 4.238 0.935 14.738 258 2HD LYS 34 1HD LYS 34 3.631 2.526 14.274 259 1HE LYS 34 2HE LYS 34 2.376 2.569 16.449 260 2HE LYS 34 1HE LYS 34 3.254 1.109 16.904 261 H LYS 34 H LYS 34 2.941 1.736 10.732 262 HA LYS 34 HA LYS 34 2.018 -0.415 12.210 263 1HZ LYS 34 2HZ LYS 34 4.937 3.252 15.963 264 2HZ LYS 34 1HZ LYS 34 4.094 3.619 17.382 265 3HZ LYS 34 3HZ LYS 34 5.103 2.262 17.325 266 1HB GLN 35 2HB GLN 35 -1.563 2.627 8.748 267 2HB GLN 35 1HB GLN 35 -3.210 2.459 9.330 268 1HG GLN 35 2HG GLN 35 -2.634 3.701 11.348 269 2HG GLN 35 1HG GLN 35 -0.975 3.861 10.774 270 1HE2 GLN 35 1HE2 GLN 35 -2.989 5.898 11.417 271 2HE2 GLN 35 2HE2 GLN 35 -3.147 6.865 9.994 272 H GLN 35 H GLN 35 0.134 2.089 10.531 273 HA GLN 35 HA GLN 35 -2.404 1.141 11.246 274 1HB LEU 36 2HB LEU 36 0.757 -0.635 7.056 275 2HB LEU 36 1HB LEU 36 0.603 -2.371 6.885 276 H LEU 36 H LEU 36 -0.198 0.270 8.657 277 HA LEU 36 HA LEU 36 -2.018 -1.343 7.196 278 HG LEU 36 HG LEU 36 0.606 -1.328 4.703 279 1HD1 LEU 36 2HD1 LEU 36 -1.498 -2.970 5.705 280 2HD1 LEU 36 1HD1 LEU 36 -2.146 -1.898 4.463 281 3HD1 LEU 36 3HD1 LEU 36 -0.778 -2.948 4.095 282 1HD2 LEU 36 3HD2 LEU 36 -1.009 0.631 6.014 283 2HD2 LEU 36 2HD2 LEU 36 -0.251 0.696 4.424 284 3HD2 LEU 36 1HD2 LEU 36 -1.866 0.011 4.603 285 1HB GLU 37 2HB GLU 37 1.388 -3.212 11.529 286 2HB GLU 37 1HB GLU 37 -0.033 -2.642 12.386 287 1HG GLU 37 2HG GLU 37 -0.439 -5.147 12.877 288 2HG GLU 37 1HG GLU 37 1.269 -5.324 12.472 289 H GLU 37 H GLU 37 -0.089 -1.809 10.025 290 HA GLU 37 HA GLU 37 -0.032 -4.629 10.107 291 H ALA 38 H ALA 38 -2.086 -2.335 11.868 292 HA ALA 38 HA ALA 38 -3.857 -4.165 12.994 293 1HB ALA 38 3HB ALA 38 -3.710 -1.727 13.541 294 2HB ALA 38 1HB ALA 38 -5.357 -2.325 13.334 295 3HB ALA 38 2HB ALA 38 -4.588 -1.394 12.048 296 H ALA 39 H ALA 39 -3.690 -2.821 9.784 297 HA ALA 39 HA ALA 39 -6.262 -3.606 8.889 298 1HB ALA 39 2HB ALA 39 -3.849 -3.408 7.109 299 2HB ALA 39 3HB ALA 39 -4.620 -1.973 7.785 300 3HB ALA 39 1HB ALA 39 -5.534 -3.050 6.729 301 1HB ARG 40 2HB ARG 40 -1.609 -6.693 7.826 302 2HB ARG 40 1HB ARG 40 -1.590 -7.237 9.497 303 1HG ARG 40 2HG ARG 40 -2.149 -9.531 8.659 304 2HG ARG 40 1HG ARG 40 -1.893 -8.920 7.025 305 1HD ARG 40 2HD ARG 40 0.118 -9.997 7.785 306 2HD ARG 40 1HD ARG 40 0.401 -8.261 7.672 307 1HH1 ARG 40 1HH1 ARG 40 2.101 -8.035 8.159 308 2HH1 ARG 40 2HH1 ARG 40 3.216 -7.693 9.439 309 1HH2 ARG 40 1HH2 ARG 40 1.142 -8.926 11.968 310 2HH2 ARG 40 2HH2 ARG 40 2.672 -8.200 11.604 311 H ARG 40 H ARG 40 -3.162 -5.187 9.146 312 HA ARG 40 HA ARG 40 -3.994 -7.543 7.691 313 HE ARG 40 HE ARG 40 -0.322 -9.370 10.276 314 1HB LYS 41 2HB LYS 41 -4.831 -5.982 12.894 315 2HB LYS 41 1HB LYS 41 -5.345 -7.226 14.022 316 1HG LYS 41 2HG LYS 41 -2.832 -7.843 14.106 317 2HG LYS 41 1HG LYS 41 -2.594 -6.226 13.439 318 1HD LYS 41 2HD LYS 41 -2.677 -5.476 15.537 319 2HD LYS 41 1HD LYS 41 -4.403 -5.841 15.501 320 1HE LYS 41 2HE LYS 41 -3.865 -7.078 17.318 321 2HE LYS 41 1HE LYS 41 -3.468 -8.275 16.084 322 H LYS 41 H LYS 41 -3.711 -6.463 10.998 323 HA LYS 41 HA LYS 41 -3.947 -8.796 12.422 324 1HZ LYS 41 2HZ LYS 41 -1.158 -7.026 16.224 325 2HZ LYS 41 1HZ LYS 41 -1.695 -6.712 17.796 326 3HZ LYS 41 3HZ LYS 41 -1.548 -8.309 17.256 327 1HG1 ILE 42 2HG1 ILE 42 -8.554 -5.476 9.073 328 2HG1 ILE 42 1HG1 ILE 42 -7.793 -7.007 8.650 329 H ILE 42 H ILE 42 -6.365 -7.107 10.569 330 HA ILE 42 HA ILE 42 -8.509 -8.788 11.609 331 HB ILE 42 HB ILE 42 -10.041 -7.418 10.435 332 1HG2 ILE 42 1HG2 ILE 42 -7.832 -6.017 11.835 333 2HG2 ILE 42 3HG2 ILE 42 -9.040 -5.034 11.008 334 3HG2 ILE 42 2HG2 ILE 42 -9.536 -6.165 12.267 335 1HD1 ILE 42 2HD1 ILE 42 -10.754 -6.769 8.491 336 2HD1 ILE 42 1HD1 ILE 42 -9.754 -6.058 7.225 337 3HD1 ILE 42 3HD1 ILE 42 -9.652 -7.786 7.563 338 1HA GLY 43 1HA GLY 43 -8.001 -10.602 7.469 339 2HA GLY 43 2HA GLY 43 -6.245 -10.590 7.572 340 H GLY 43 H GLY 43 -6.550 -8.362 8.734 341 1HB PHE 44 2HB PHE 44 -5.952 -5.668 6.148 342 2HB PHE 44 1HB PHE 44 -4.397 -6.102 5.447 343 H PHE 44 H PHE 44 -5.619 -8.016 6.903 344 HA PHE 44 HA PHE 44 -6.972 -7.303 4.445 345 HD1 PHE 44 HD1 PHE 44 -7.001 -6.213 3.039 346 HD2 PHE 44 HD2 PHE 44 -4.364 -3.563 5.072 347 HE1 PHE 44 HE1 PHE 44 -7.328 -4.535 1.269 348 HE2 PHE 44 HE2 PHE 44 -4.685 -1.881 3.307 349 HZ PHE 44 HZ PHE 44 -6.171 -2.365 1.403 350 1HB HIS 45 2HB HIS 45 -5.507 -11.597 2.915 351 2HB HIS 45 1HB HIS 45 -6.360 -11.078 1.467 352 H HIS 45 H HIS 45 -6.587 -9.154 3.162 353 HA HIS 45 HA HIS 45 -3.823 -9.794 2.493 354 HD1 HIS 45 HD1 HIS 45 -5.966 -13.365 0.333 355 HD2 HIS 45 HD2 HIS 45 -2.476 -11.335 1.317 356 HE1 HIS 45 HE1 HIS 45 -4.121 -14.568 -0.878 357 HE2 HIS 45 HE2 HIS 45 -2.036 -13.258 -0.353 358 H VAL 46 H VAL 46 -2.819 -8.937 0.813 359 HA VAL 46 HA VAL 46 -4.000 -8.553 -1.725 360 HB VAL 46 HB VAL 46 -5.077 -6.612 -1.168 361 1HG1 VAL 46 1HG1 VAL 46 -3.265 -6.635 1.083 362 2HG1 VAL 46 3HG1 VAL 46 -3.479 -5.006 0.441 363 3HG1 VAL 46 2HG1 VAL 46 -4.883 -5.946 0.946 364 1HG2 VAL 46 1HG2 VAL 46 -3.416 -6.096 -2.909 365 2HG2 VAL 46 3HG2 VAL 46 -3.803 -4.691 -1.915 366 3HG2 VAL 46 2HG2 VAL 46 -2.292 -5.563 -1.659 367 1HB CYS 47 2HB CYS 47 -0.028 -9.456 -4.937 368 2HB CYS 47 1HB CYS 47 0.837 -10.333 -3.681 369 H CYS 47 H CYS 47 -2.345 -9.101 -2.967 370 HA CYS 47 HA CYS 47 0.377 -8.777 -2.120 371 H ALA 48 H ALA 48 -1.697 -6.565 -3.257 372 HA ALA 48 HA ALA 48 0.105 -5.265 -5.138 373 1HB ALA 48 3HB ALA 48 -2.536 -5.396 -5.196 374 2HB ALA 48 1HB ALA 48 -1.664 -3.993 -5.813 375 3HB ALA 48 2HB ALA 48 -2.388 -3.945 -4.206 376 H ALA 49 H ALA 49 1.839 -4.726 -3.785 377 HA ALA 49 HA ALA 49 1.870 -3.578 -1.326 378 1HB ALA 49 2HB ALA 49 4.033 -3.619 -1.813 379 2HB ALA 49 1HB ALA 49 3.680 -3.741 -3.537 380 3HB ALA 49 3HB ALA 49 3.813 -2.155 -2.774 381 1HA GLY 50 2HA GLY 50 -0.281 0.140 -0.641 382 2HA GLY 50 1HA GLY 50 0.401 0.463 -2.228 383 H GLY 50 H GLY 50 1.381 -1.654 -0.414 384 1HB TRP 51 2HB TRP 51 1.862 4.683 -2.228 385 2HB TRP 51 1HB TRP 51 3.318 5.274 -1.433 386 H TRP 51 H TRP 51 1.429 2.341 -2.218 387 HA TRP 51 HA TRP 51 3.715 2.854 -0.708 388 HD1 TRP 51 HD1 TRP 51 2.145 3.338 -4.476 389 HE1 TRP 51 HE1 TRP 51 4.156 2.931 -6.043 390 HE3 TRP 51 HE3 TRP 51 5.909 4.936 -1.405 391 HZ2 TRP 51 HZ2 TRP 51 6.957 3.255 -5.981 392 HZ3 TRP 51 HZ3 TRP 51 8.223 4.857 -2.235 393 HH2 TRP 51 HH2 TRP 51 8.736 4.033 -4.476 394 1HB MET 52 2HB MET 52 2.791 4.277 4.634 395 2HB MET 52 1HB MET 52 1.959 3.194 3.527 396 1HG MET 52 2HG MET 52 3.979 2.247 2.775 397 2HG MET 52 1HG MET 52 4.941 3.521 3.523 398 H MET 52 H MET 52 4.124 4.294 1.015 399 HA MET 52 HA MET 52 1.857 5.328 2.518 400 1HE MET 52 1HE MET 52 4.728 0.224 3.504 401 2HE MET 52 3HE MET 52 4.577 -0.452 5.126 402 3HE MET 52 2HE MET 52 3.132 -0.008 4.218 403 H ALA 53 H ALA 53 3.068 6.074 4.822 404 HA ALA 53 HA ALA 53 4.367 8.423 4.208 405 1HB ALA 53 3HB ALA 53 4.377 8.769 6.422 406 2HB ALA 53 2HB ALA 53 3.478 7.254 6.504 407 3HB ALA 53 1HB ALA 53 5.224 7.259 6.754 408 1HB LYS 54 2HB LYS 54 8.203 6.802 5.718 409 2HB LYS 54 1HB LYS 54 9.364 6.258 4.517 410 1HG LYS 54 2HG LYS 54 10.992 7.736 5.228 411 2HG LYS 54 1HG LYS 54 9.824 8.812 5.995 412 1HD LYS 54 2HD LYS 54 9.862 7.670 7.927 413 2HD LYS 54 1HD LYS 54 9.864 6.105 7.110 414 1HE LYS 54 2HE LYS 54 11.918 6.578 8.449 415 2HE LYS 54 1HE LYS 54 12.218 6.211 6.750 416 H LYS 54 H LYS 54 6.531 9.120 4.326 417 HA LYS 54 HA LYS 54 8.785 9.017 4.040 418 1HZ LYS 54 3HZ LYS 54 11.997 8.991 7.736 419 2HZ LYS 54 2HZ LYS 54 13.468 8.155 7.739 420 3HZ LYS 54 1HZ LYS 54 12.664 8.444 6.280 421 1HA GLY 55 1HA GLY 55 8.319 6.977 0.082 422 2HA GLY 55 2HA GLY 55 6.607 6.577 0.127 423 H GLY 55 H GLY 55 6.592 7.032 2.422 424 1HB ARG 56 2HB ARG 56 8.354 3.179 3.845 425 2HB ARG 56 1HB ARG 56 6.731 2.515 3.720 426 1HG ARG 56 2HG ARG 56 7.811 0.382 2.892 427 2HG ARG 56 1HG ARG 56 9.349 1.082 3.399 428 1HD ARG 56 2HD ARG 56 6.951 0.559 5.152 429 2HD ARG 56 1HD ARG 56 8.461 -0.352 5.143 430 1HH1 ARG 56 1HH1 ARG 56 10.064 -0.464 5.760 431 2HH1 ARG 56 2HH1 ARG 56 11.253 0.040 6.914 432 1HH2 ARG 56 1HH2 ARG 56 9.648 3.052 7.680 433 2HH2 ARG 56 2HH2 ARG 56 11.017 2.041 8.007 434 H ARG 56 H ARG 56 6.899 4.741 2.375 435 HA ARG 56 HA ARG 56 8.650 2.641 1.391 436 HE ARG 56 HE ARG 56 8.090 2.376 6.158 437 H VAL 57 H VAL 57 7.952 0.610 0.679 438 HA VAL 57 HA VAL 57 5.095 0.431 -0.012 439 HB VAL 57 HB VAL 57 5.489 0.031 -2.182 440 1HG1 VAL 57 3HG1 VAL 57 6.891 2.035 -1.661 441 2HG1 VAL 57 2HG1 VAL 57 8.295 0.968 -1.622 442 3HG1 VAL 57 1HG1 VAL 57 7.372 1.158 -3.113 443 1HG2 VAL 57 2HG2 VAL 57 7.857 -1.591 -1.285 444 2HG2 VAL 57 1HG2 VAL 57 6.322 -2.166 -1.936 445 3HG2 VAL 57 3HG2 VAL 57 7.467 -1.329 -2.984 446 1HA GLY 58 2HA GLY 58 5.008 -3.370 2.030 447 2HA GLY 58 1HA GLY 58 5.549 -4.005 0.485 448 H GLY 58 H GLY 58 4.136 -1.580 0.090 449 1HB TYR 59 2HB TYR 59 1.331 -7.416 -0.757 450 2HB TYR 59 1HB TYR 59 1.630 -5.825 -1.453 451 H TYR 59 H TYR 59 4.129 -5.808 1.086 452 HA TYR 59 HA TYR 59 1.279 -5.230 0.739 453 HD1 TYR 59 HD1 TYR 59 4.132 -5.083 -1.596 454 HD2 TYR 59 HD2 TYR 59 2.873 -9.124 -1.089 455 HE1 TYR 59 HE1 TYR 59 6.305 -5.861 -2.438 456 HE2 TYR 59 HE2 TYR 59 5.044 -9.906 -1.936 457 HH TYR 59 HH TYR 59 7.530 -7.619 -3.028 458 1HB PRO 60 2HB PRO 60 -1.215 -7.269 4.666 459 2HB PRO 60 1HB PRO 60 0.165 -7.075 5.746 460 1HG PRO 60 2HG PRO 60 -1.005 -4.988 4.489 461 2HG PRO 60 1HG PRO 60 0.721 -5.023 4.885 462 1HD PRO 60 2HD PRO 60 -0.634 -5.497 2.266 463 2HD PRO 60 1HD PRO 60 0.896 -4.665 2.614 464 HA PRO 60 HA PRO 60 1.579 -8.060 4.267 465 1HG1 ILE 61 2HG1 ILE 61 2.461 -10.375 1.164 466 2HG1 ILE 61 1HG1 ILE 61 2.293 -11.421 -0.241 467 H ILE 61 H ILE 61 1.630 -9.940 2.980 468 HA ILE 61 HA ILE 61 -0.844 -10.927 1.827 469 HB ILE 61 HB ILE 61 1.706 -12.499 1.964 470 1HG2 ILE 61 2HG2 ILE 61 -0.828 -12.833 0.748 471 2HG2 ILE 61 1HG2 ILE 61 0.357 -12.593 -0.537 472 3HG2 ILE 61 3HG2 ILE 61 0.585 -13.884 0.643 473 1HD1 ILE 61 2HD1 ILE 61 -0.049 -9.770 0.454 474 2HD1 ILE 61 1HD1 ILE 61 1.372 -8.924 -0.161 475 3HD1 ILE 61 3HD1 ILE 61 0.619 -10.197 -1.122 476 H VAL 62 H VAL 62 -2.265 -11.993 3.014 477 HA VAL 62 HA VAL 62 -1.424 -13.313 5.474 478 HB VAL 62 HB VAL 62 -4.261 -13.241 4.519 479 1HG1 VAL 62 3HG1 VAL 62 -3.056 -14.241 6.762 480 2HG1 VAL 62 2HG1 VAL 62 -3.621 -12.662 7.310 481 3HG1 VAL 62 1HG1 VAL 62 -4.763 -13.817 6.623 482 1HG2 VAL 62 3HG2 VAL 62 -2.668 -10.935 5.586 483 2HG2 VAL 62 2HG2 VAL 62 -3.749 -10.986 4.194 484 3HG2 VAL 62 1HG2 VAL 62 -4.411 -11.041 5.828 485 1HB LYS 63 2HB LYS 63 -4.768 -15.693 2.211 486 2HB LYS 63 1HB LYS 63 -4.115 -16.025 0.614 487 1HG LYS 63 2HG LYS 63 -4.622 -18.190 0.741 488 2HG LYS 63 1HG LYS 63 -3.990 -18.331 2.384 489 1HD LYS 63 2HD LYS 63 -6.422 -16.780 2.343 490 2HD LYS 63 1HD LYS 63 -6.669 -18.358 1.594 491 1HE LYS 63 2HE LYS 63 -5.107 -18.664 3.971 492 2HE LYS 63 1HE LYS 63 -6.557 -17.732 4.340 493 H LYS 63 H LYS 63 -2.658 -14.055 2.288 494 HA LYS 63 HA LYS 63 -2.506 -16.924 2.944 495 1HZ LYS 63 3HZ LYS 63 -7.878 -19.495 3.297 496 2HZ LYS 63 2HZ LYS 63 -6.472 -20.398 3.035 497 3HZ LYS 63 1HZ LYS 63 -6.983 -20.070 4.614 498 1HB PRO 64 2HB PRO 64 1.287 -19.151 0.849 499 2HB PRO 64 1HB PRO 64 2.521 -17.889 0.816 500 1HG PRO 64 2HG PRO 64 1.503 -18.757 3.124 501 2HG PRO 64 1HG PRO 64 1.910 -17.050 2.882 502 1HD PRO 64 1HD PRO 64 -0.756 -18.375 2.931 503 2HD PRO 64 2HD PRO 64 -0.292 -16.745 3.462 504 HA PRO 64 HA PRO 64 1.041 -16.274 0.120 505 1HA GLY 65 2HA GLY 65 -0.721 -17.963 -3.452 506 2HA GLY 65 1HA GLY 65 0.390 -19.301 -3.196 507 H GLY 65 H GLY 65 1.524 -17.087 -1.956 508 1HB PRO 66 2HB PRO 66 0.892 -17.962 -8.886 509 2HB PRO 66 1HB PRO 66 1.490 -19.441 -8.126 510 1HG PRO 66 2HG PRO 66 -1.129 -18.041 -7.749 511 2HG PRO 66 1HG PRO 66 -0.802 -19.775 -7.916 512 1HD PRO 66 1HD PRO 66 -1.250 -18.602 -5.517 513 2HD PRO 66 2HD PRO 66 -0.167 -19.996 -5.710 514 HA PRO 66 HA PRO 66 2.599 -17.957 -6.770 515 1HB ASN 67 2HB ASN 67 1.718 -14.717 -9.743 516 2HB ASN 67 1HB ASN 67 0.613 -13.770 -8.751 517 1HD2 ASN 67 1HD2 ASN 67 3.286 -13.680 -10.954 518 2HD2 ASN 67 2HD2 ASN 67 3.243 -11.981 -11.259 519 H ASN 67 H ASN 67 3.349 -16.087 -7.593 520 HA ASN 67 HA ASN 67 3.524 -13.864 -8.044 521 1HB CYS 68 2HB CYS 68 -0.409 -13.596 -4.863 522 2HB CYS 68 1HB CYS 68 0.122 -14.654 -3.559 523 H CYS 68 H CYS 68 2.431 -14.852 -5.397 524 HA CYS 68 HA CYS 68 1.682 -12.212 -4.401 525 1HA GLY 69 2HA GLY 69 4.213 -14.008 -1.275 526 2HA GLY 69 1HA GLY 69 5.520 -13.256 -2.182 527 H GLY 69 H GLY 69 4.146 -13.427 -4.167 528 1HB PHE 70 2HB PHE 70 8.826 -16.019 -0.791 529 2HB PHE 70 1HB PHE 70 9.169 -17.620 -1.437 530 H PHE 70 H PHE 70 6.961 -14.844 -1.344 531 HA PHE 70 HA PHE 70 7.180 -17.147 -3.038 532 HD1 PHE 70 HD1 PHE 70 9.474 -17.760 -4.017 533 HD2 PHE 70 HD2 PHE 70 9.817 -14.173 -1.751 534 HE1 PHE 70 HE1 PHE 70 10.806 -16.750 -5.824 535 HE2 PHE 70 HE2 PHE 70 11.148 -13.157 -3.554 536 HZ PHE 70 HZ PHE 70 11.645 -14.446 -5.593 537 1HA GLY 71 1HA GLY 71 5.431 -19.421 0.433 538 2HA GLY 71 2HA GLY 71 3.938 -18.498 0.299 539 H GLY 71 H GLY 71 5.354 -16.572 -0.358 540 1HB LYS 72 2HB LYS 72 6.674 -14.590 2.801 541 2HB LYS 72 1HB LYS 72 6.638 -14.673 4.558 542 1HG LYS 72 2HG LYS 72 8.059 -16.710 2.869 543 2HG LYS 72 1HG LYS 72 8.834 -15.233 3.446 544 1HD LYS 72 2HD LYS 72 7.435 -17.087 5.342 545 2HD LYS 72 1HD LYS 72 9.099 -17.387 4.838 546 1HE LYS 72 2HE LYS 72 9.594 -16.102 6.620 547 2HE LYS 72 1HE LYS 72 9.263 -14.780 5.501 548 H LYS 72 H LYS 72 5.473 -16.135 1.467 549 HA LYS 72 HA LYS 72 5.707 -17.048 4.244 550 1HZ LYS 72 1HZ LYS 72 6.898 -15.770 6.783 551 2HZ LYS 72 3HZ LYS 72 8.036 -15.184 7.891 552 3HZ LYS 72 2HZ LYS 72 7.470 -14.183 6.651 553 H THR 73 H THR 73 4.730 -15.786 5.950 554 HA THR 73 HA THR 73 2.237 -14.478 5.078 555 HB THR 73 HB THR 73 1.310 -15.135 7.302 556 HG1 THR 73 HG1 THR 73 3.784 -16.534 7.450 557 1HG2 THR 73 2HG2 THR 73 1.329 -16.549 5.037 558 2HG2 THR 73 1HG2 THR 73 2.182 -17.690 6.076 559 3HG2 THR 73 3HG2 THR 73 0.566 -17.139 6.513 560 1HA GLY 74 2HA GLY 74 3.905 -11.227 7.521 561 2HA GLY 74 1HA GLY 74 2.196 -10.807 7.491 562 H GLY 74 H GLY 74 2.152 -12.366 5.444 563 1HG1 ILE 75 1HG1 ILE 75 2.024 -5.516 5.622 564 2HG1 ILE 75 2HG1 ILE 75 1.882 -6.381 7.149 565 H ILE 75 H ILE 75 3.369 -8.626 7.357 566 HA ILE 75 HA ILE 75 2.914 -7.502 4.849 567 HB ILE 75 HB ILE 75 4.307 -6.561 7.311 568 1HG2 ILE 75 2HG2 ILE 75 4.580 -5.327 4.594 569 2HG2 ILE 75 1HG2 ILE 75 4.633 -4.338 6.053 570 3HG2 ILE 75 3HG2 ILE 75 5.820 -5.619 5.814 571 1HD1 ILE 75 3HD1 ILE 75 3.164 -4.474 8.194 572 2HD1 ILE 75 2HD1 ILE 75 2.914 -3.606 6.679 573 3HD1 ILE 75 1HD1 ILE 75 1.527 -4.116 7.642 574 1HG1 ILE 76 1HG1 ILE 76 4.754 -10.154 2.857 575 2HG1 ILE 76 2HG1 ILE 76 3.824 -10.087 1.364 576 H ILE 76 H ILE 76 3.986 -7.770 3.023 577 HA ILE 76 HA ILE 76 6.790 -8.583 3.088 578 HB ILE 76 HB ILE 76 5.046 -8.357 0.645 579 1HG2 ILE 76 3HG2 ILE 76 7.536 -8.547 0.414 580 2HG2 ILE 76 2HG2 ILE 76 7.416 -10.139 1.164 581 3HG2 ILE 76 1HG2 ILE 76 6.612 -9.825 -0.374 582 1HD1 ILE 76 1HD1 ILE 76 6.441 -11.532 1.632 583 2HD1 ILE 76 3HD1 ILE 76 4.865 -12.290 1.851 584 3HD1 ILE 76 2HD1 ILE 76 5.303 -11.603 0.287 585 1HB ASP 77 2HB ASP 77 6.727 -3.304 2.961 586 2HB ASP 77 1HB ASP 77 7.312 -4.239 4.332 587 H ASP 77 H ASP 77 7.748 -6.601 3.628 588 HA ASP 77 HA ASP 77 7.758 -4.640 1.433 589 1HB TYR 78 2HB TYR 78 11.559 -4.170 -0.751 590 2HB TYR 78 1HB TYR 78 13.184 -4.485 -0.154 591 H TYR 78 H TYR 78 9.718 -3.921 0.767 592 HA TYR 78 HA TYR 78 12.065 -5.121 2.065 593 HD1 TYR 78 HD1 TYR 78 13.656 -6.831 0.788 594 HD2 TYR 78 HD2 TYR 78 10.267 -5.912 -1.612 595 HE1 TYR 78 HE1 TYR 78 13.399 -9.217 0.249 596 HE2 TYR 78 HE2 TYR 78 9.999 -8.295 -2.158 597 HH TYR 78 HH TYR 78 12.384 -10.677 -1.206 598 1HA GLY 79 2HA GLY 79 12.811 -1.052 3.515 599 2HA GLY 79 1HA GLY 79 11.133 -0.532 3.615 600 H GLY 79 H GLY 79 10.591 -2.599 2.797 601 1HG1 ILE 80 1HG1 ILE 80 11.567 3.178 3.280 602 2HG1 ILE 80 2HG1 ILE 80 12.387 4.730 3.419 603 H ILE 80 H ILE 80 12.229 1.550 3.022 604 HA ILE 80 HA ILE 80 11.546 2.407 0.522 605 HB ILE 80 HB ILE 80 13.869 3.501 2.107 606 1HG2 ILE 80 1HG2 ILE 80 12.076 4.733 0.023 607 2HG2 ILE 80 3HG2 ILE 80 13.211 5.639 1.022 608 3HG2 ILE 80 2HG2 ILE 80 13.808 4.421 -0.105 609 1HD1 ILE 80 1HD1 ILE 80 10.971 5.587 1.583 610 2HD1 ILE 80 3HD1 ILE 80 10.097 4.056 1.593 611 3HD1 ILE 80 2HD1 ILE 80 10.061 5.102 3.013 612 1HB ARG 81 2HB ARG 81 13.283 1.750 -4.188 613 2HB ARG 81 1HB ARG 81 14.116 0.232 -3.877 614 1HG ARG 81 2HG ARG 81 11.660 0.993 -2.342 615 2HG ARG 81 1HG ARG 81 11.555 0.233 -3.931 616 1HD ARG 81 2HD ARG 81 12.796 -0.873 -1.424 617 2HD ARG 81 1HD ARG 81 11.424 -1.511 -2.328 618 1HH1 ARG 81 1HH1 ARG 81 14.126 -1.668 -0.837 619 2HH1 ARG 81 2HH1 ARG 81 15.535 -2.651 -1.057 620 1HH2 ARG 81 1HH2 ARG 81 14.915 -3.292 -4.438 621 2HH2 ARG 81 2HH2 ARG 81 15.984 -3.574 -3.105 622 H ARG 81 H ARG 81 12.440 2.456 -1.478 623 HA ARG 81 HA ARG 81 14.912 0.922 -1.850 624 HE ARG 81 HE ARG 81 13.062 -1.995 -4.137 625 1HB LEU 82 2HB LEU 82 17.552 3.751 -2.068 626 2HB LEU 82 1HB LEU 82 17.594 4.766 -3.495 627 H LEU 82 H LEU 82 14.739 3.787 -1.022 628 HA LEU 82 HA LEU 82 15.774 5.769 -1.445 629 HG LEU 82 HG LEU 82 19.353 5.347 -1.877 630 1HD1 LEU 82 1HD1 LEU 82 17.206 7.387 -2.396 631 2HD1 LEU 82 3HD1 LEU 82 18.768 7.797 -1.686 632 3HD1 LEU 82 2HD1 LEU 82 18.690 7.106 -3.307 633 1HD2 LEU 82 2HD2 LEU 82 17.009 5.886 -0.069 634 2HD2 LEU 82 1HD2 LEU 82 18.369 4.796 0.206 635 3HD2 LEU 82 3HD2 LEU 82 18.622 6.540 0.215 636 1HB ASN 83 2HB ASN 83 15.047 5.228 -6.298 637 2HB ASN 83 1HB ASN 83 13.652 4.152 -6.286 638 1HD2 ASN 83 2HD2 ASN 83 12.402 4.198 -8.002 639 2HD2 ASN 83 1HD2 ASN 83 12.294 5.484 -9.149 640 H ASN 83 H ASN 83 13.594 4.737 -3.279 641 HA ASN 83 HA ASN 83 13.667 6.940 -5.111 642 1HB ARG 84 2HB ARG 84 8.262 7.699 -3.261 643 2HB ARG 84 1HB ARG 84 9.855 7.719 -2.516 644 1HG ARG 84 2HG ARG 84 9.499 9.244 -5.032 645 2HG ARG 84 1HG ARG 84 8.752 9.884 -3.568 646 1HD ARG 84 2HD ARG 84 10.714 10.693 -2.924 647 2HD ARG 84 1HD ARG 84 11.378 9.061 -2.901 648 1HH1 ARG 84 1HH1 ARG 84 11.753 12.024 -2.989 649 2HH1 ARG 84 2HH1 ARG 84 12.832 13.051 -3.874 650 1HH2 ARG 84 2HH2 ARG 84 13.238 10.822 -6.535 651 2HH2 ARG 84 1HH2 ARG 84 13.674 12.369 -5.888 652 H ARG 84 H ARG 84 11.721 7.606 -4.329 653 HA ARG 84 HA ARG 84 9.508 5.784 -4.035 654 HE ARG 84 HE ARG 84 11.818 9.476 -5.363 655 1HB SER 85 2HB SER 85 11.047 6.501 -9.335 656 2HB SER 85 1HB SER 85 9.800 7.540 -10.023 657 H SER 85 H SER 85 10.633 6.021 -6.696 658 HA SER 85 HA SER 85 8.370 7.227 -8.142 659 HG SER 85 HG SER 85 10.236 9.057 -8.416 660 1HB GLU 86 2HB GLU 86 8.012 1.929 -6.415 661 2HB GLU 86 1HB GLU 86 8.824 0.865 -7.555 662 1HG GLU 86 2HG GLU 86 10.501 3.084 -6.737 663 2HG GLU 86 1HG GLU 86 9.956 2.108 -5.374 664 H GLU 86 H GLU 86 9.192 4.370 -6.959 665 HA GLU 86 HA GLU 86 9.112 2.590 -9.137 666 1HB ARG 87 2HB ARG 87 5.458 -0.036 -11.189 667 2HB ARG 87 1HB ARG 87 4.215 1.154 -11.539 668 1HG ARG 87 2HG ARG 87 5.710 2.656 -12.433 669 2HG ARG 87 1HG ARG 87 7.079 1.982 -11.547 670 1HD ARG 87 2HD ARG 87 6.470 -0.146 -13.029 671 2HD ARG 87 1HD ARG 87 5.848 1.111 -14.099 672 1HH1 ARG 87 2HH1 ARG 87 6.538 0.208 -15.642 673 2HH1 ARG 87 1HH1 ARG 87 7.794 0.239 -16.833 674 1HH2 ARG 87 2HH2 ARG 87 10.195 1.597 -14.684 675 2HH2 ARG 87 1HH2 ARG 87 9.875 1.029 -16.288 676 H ARG 87 H ARG 87 7.311 0.992 -9.482 677 HA ARG 87 HA ARG 87 4.762 2.445 -9.636 678 HE ARG 87 HE ARG 87 8.532 1.553 -13.124 679 1HB TRP 88 2HB TRP 88 3.979 1.253 -5.407 680 2HB TRP 88 1HB TRP 88 2.965 -0.065 -4.840 681 H TRP 88 H TRP 88 3.613 1.961 -7.871 682 HA TRP 88 HA TRP 88 3.091 -0.879 -7.322 683 HD1 TRP 88 HD1 TRP 88 6.431 0.829 -5.024 684 HE1 TRP 88 HE1 TRP 88 7.967 -1.231 -4.863 685 HE3 TRP 88 HE3 TRP 88 2.977 -2.817 -5.940 686 HZ2 TRP 88 HZ2 TRP 88 7.731 -4.041 -5.081 687 HZ3 TRP 88 HZ3 TRP 88 3.711 -5.165 -5.946 688 HH2 TRP 88 HH2 TRP 88 6.040 -5.762 -5.529 689 1HB ASP 89 2HB ASP 89 -0.518 -1.215 -4.407 690 2HB ASP 89 1HB ASP 89 -1.976 -0.232 -4.293 691 H ASP 89 H ASP 89 1.514 -0.116 -4.987 692 HA ASP 89 HA ASP 89 -0.832 1.028 -6.350 693 H ALA 90 H ALA 90 -2.204 1.123 -3.685 694 HA ALA 90 HA ALA 90 -0.650 2.972 -2.118 695 1HB ALA 90 2HB ALA 90 -1.244 4.598 -3.670 696 2HB ALA 90 3HB ALA 90 -2.438 4.790 -2.386 697 3HB ALA 90 1HB ALA 90 -2.871 3.948 -3.873 698 1HB TYR 91 2HB TYR 91 -1.019 1.543 1.899 699 2HB TYR 91 1HB TYR 91 -2.422 1.235 2.903 700 H TYR 91 H TYR 91 -1.110 2.471 -0.104 701 HA TYR 91 HA TYR 91 -3.623 1.202 0.557 702 HD1 TYR 91 HD1 TYR 91 -3.971 -0.667 1.411 703 HD2 TYR 91 HD2 TYR 91 0.255 -0.382 1.780 704 HE1 TYR 91 HE1 TYR 91 -3.777 -3.069 0.934 705 HE2 TYR 91 HE2 TYR 91 0.467 -2.783 1.300 706 HH TYR 91 HH TYR 91 -1.835 -4.923 1.574 707 1HB CYS 92 2HB CYS 92 -6.856 4.119 0.127 708 2HB CYS 92 1HB CYS 92 -7.244 5.526 1.107 709 H CYS 92 H CYS 92 -4.814 3.210 0.051 710 HA CYS 92 HA CYS 92 -4.603 5.608 1.380 711 1HB TYR 93 2HB TYR 93 -4.601 4.790 5.529 712 2HB TYR 93 1HB TYR 93 -4.821 6.491 5.928 713 H TYR 93 H TYR 93 -5.930 6.523 3.087 714 HA TYR 93 HA TYR 93 -7.093 4.721 5.021 715 HD1 TYR 93 HD1 TYR 93 -7.258 6.620 7.427 716 HD2 TYR 93 HD2 TYR 93 -4.275 3.584 7.476 717 HE1 TYR 93 HE1 TYR 93 -7.935 6.002 9.709 718 HE2 TYR 93 HE2 TYR 93 -4.943 2.959 9.758 719 HH TYR 93 HH TYR 93 -6.391 3.294 11.412 720 1HB ASN 94 2HB ASN 94 -9.040 8.906 4.240 721 2HB ASN 94 1HB ASN 94 -10.279 7.693 3.933 722 1HD2 ASN 94 1HD2 ASN 94 -11.234 9.682 2.939 723 2HD2 ASN 94 2HD2 ASN 94 -12.244 10.653 3.952 724 H ASN 94 H ASN 94 -8.891 5.661 5.663 725 HA ASN 94 HA ASN 94 -8.983 8.355 6.581 726 1HB PRO 95 2HB PRO 95 -12.570 7.809 10.653 727 2HB PRO 95 1HB PRO 95 -11.207 6.688 10.707 728 1HG PRO 95 2HG PRO 95 -11.285 9.540 9.805 729 2HG PRO 95 1HG PRO 95 -10.069 8.713 10.793 730 1HD PRO 95 2HD PRO 95 -9.700 9.198 8.166 731 2HD PRO 95 1HD PRO 95 -9.052 7.748 8.958 732 HA PRO 95 HA PRO 95 -12.091 5.927 8.734 733 1HB HIS 96 2HB HIS 96 -13.449 10.757 7.105 734 2HB HIS 96 1HB HIS 96 -14.772 10.970 5.965 735 H HIS 96 H HIS 96 -12.428 8.433 6.687 736 HA HIS 96 HA HIS 96 -15.336 8.519 7.067 737 HD1 HIS 96 HD1 HIS 96 -14.208 12.396 8.865 738 HD2 HIS 96 HD2 HIS 96 -17.140 9.625 7.868 739 HE1 HIS 96 HE1 HIS 96 -16.042 12.719 10.556 740 HE2 HIS 96 HE2 HIS 96 -17.767 10.974 9.983 741 H ALA 97 H ALA 97 -13.004 7.444 5.178 742 HA ALA 97 HA ALA 97 -13.906 8.405 2.606 743 1HB ALA 97 2HB ALA 97 -11.650 6.884 3.621 744 2HB ALA 97 3HB ALA 97 -11.780 7.886 2.175 745 3HB ALA 97 1HB ALA 97 -12.303 6.202 2.131 746 1HB LYS 98 2HB LYS 98 -16.142 4.701 4.768 747 2HB LYS 98 1HB LYS 98 -17.874 5.002 4.844 748 1HG LYS 98 2HG LYS 98 -18.396 3.108 3.648 749 2HG LYS 98 1HG LYS 98 -16.817 3.041 2.863 750 1HD LYS 98 2HD LYS 98 -16.698 1.292 4.379 751 2HD LYS 98 1HD LYS 98 -15.918 2.611 5.255 752 1HE LYS 98 2HE LYS 98 -17.384 1.600 6.798 753 2HE LYS 98 1HE LYS 98 -18.182 3.087 6.282 754 H LYS 98 H LYS 98 -16.103 7.437 3.757 755 HA LYS 98 HA LYS 98 -16.686 5.081 2.139 756 1HZ LYS 98 2HZ LYS 98 -18.999 1.108 4.527 757 2HZ LYS 98 1HZ LYS 98 -19.092 0.420 6.069 758 3HZ LYS 98 3HZ LYS 98 -19.921 1.856 5.732 No H/Q in entry = 758 Start of MODEL 20 1 1HA GLY 1 2HA GLY 1 -9.879 1.670 8.267 2 2HA GLY 1 1HA GLY 1 -9.976 3.424 8.326 3 H1 GLY 1 2H GLY 1 -11.645 2.844 6.304 4 H2 GLY 1 1H GLY 1 -11.882 1.509 7.316 5 H3 GLY 1 3H GLY 1 -12.128 3.075 7.909 6 H VAL 2 H VAL 2 -7.909 1.360 7.388 7 HA VAL 2 HA VAL 2 -7.034 2.911 5.105 8 HB VAL 2 HB VAL 2 -5.250 2.456 6.522 9 1HG1 VAL 2 3HG1 VAL 2 -6.777 0.178 7.242 10 2HG1 VAL 2 2HG1 VAL 2 -5.157 -0.367 6.809 11 3HG1 VAL 2 1HG1 VAL 2 -5.370 0.862 8.059 12 1HG2 VAL 2 2HG2 VAL 2 -5.137 1.519 3.989 13 2HG2 VAL 2 1HG2 VAL 2 -3.759 1.556 5.088 14 3HG2 VAL 2 3HG2 VAL 2 -4.688 0.070 4.889 15 1HB TYR 3 2HB TYR 3 -9.227 0.487 0.464 16 2HB TYR 3 1HB TYR 3 -9.942 0.541 2.066 17 H TYR 3 H TYR 3 -7.302 2.363 3.047 18 HA TYR 3 HA TYR 3 -7.857 -0.454 2.416 19 HD1 TYR 3 HD1 TYR 3 -8.850 2.916 3.291 20 HD2 TYR 3 HD2 TYR 3 -9.973 2.279 -0.761 21 HE1 TYR 3 HE1 TYR 3 -9.247 5.327 3.030 22 HE2 TYR 3 HE2 TYR 3 -10.365 4.689 -1.037 23 HH TYR 3 HH TYR 3 -9.651 6.979 1.560 24 1HB HIS 4 2HB HIS 4 -4.652 -2.042 0.102 25 2HB HIS 4 1HB HIS 4 -5.722 -2.539 -1.195 26 H HIS 4 H HIS 4 -7.268 -1.122 0.284 27 HA HIS 4 HA HIS 4 -4.889 0.310 -0.661 28 HD1 HIS 4 HD1 HIS 4 -2.237 -1.441 -0.515 29 HD2 HIS 4 HD2 HIS 4 -4.592 -2.456 -3.782 30 HE1 HIS 4 HE1 HIS 4 -0.637 -1.757 -2.426 31 HE2 HIS 4 HE2 HIS 4 -2.076 -2.460 -4.369 32 1HB ARG 5 2HB ARG 5 -6.893 3.336 -2.957 33 2HB ARG 5 1HB ARG 5 -7.026 3.479 -4.703 34 1HG ARG 5 2HG ARG 5 -9.015 1.679 -3.625 35 2HG ARG 5 1HG ARG 5 -9.105 3.283 -2.893 36 1HD ARG 5 2HD ARG 5 -8.681 3.632 -5.660 37 2HD ARG 5 1HD ARG 5 -9.967 2.438 -5.477 38 1HH1 ARG 5 2HH1 ARG 5 -10.253 3.988 -7.176 39 2HH1 ARG 5 1HH1 ARG 5 -11.397 5.219 -7.599 40 1HH2 ARG 5 1HH2 ARG 5 -12.039 6.166 -4.295 41 2HH2 ARG 5 2HH2 ARG 5 -12.412 6.457 -5.962 42 H ARG 5 H ARG 5 -5.446 1.705 -2.220 43 HA ARG 5 HA ARG 5 -7.231 0.775 -4.360 44 HE ARG 5 HE ARG 5 -10.532 4.544 -3.748 45 1HB GLU 6 2HB GLU 6 -4.200 0.712 -9.078 46 2HB GLU 6 1HB GLU 6 -5.371 -0.084 -8.037 47 1HG GLU 6 2HG GLU 6 -6.259 2.338 -9.490 48 2HG GLU 6 1HG GLU 6 -6.003 0.865 -10.425 49 H GLU 6 H GLU 6 -6.744 1.706 -6.533 50 HA GLU 6 HA GLU 6 -3.838 1.697 -6.990 51 H ALA 7 H ALA 7 -3.765 2.683 -9.539 52 HA ALA 7 HA ALA 7 -4.305 5.512 -9.054 53 1HB ALA 7 1HB ALA 7 -2.418 5.905 -10.169 54 2HB ALA 7 3HB ALA 7 -2.151 4.162 -10.165 55 3HB ALA 7 2HB ALA 7 -2.944 4.929 -11.541 56 1HB ARG 8 2HB ARG 8 -6.314 8.396 -11.728 57 2HB ARG 8 1HB ARG 8 -7.391 8.114 -13.088 58 1HG ARG 8 2HG ARG 8 -8.817 7.235 -10.872 59 2HG ARG 8 1HG ARG 8 -8.013 8.711 -10.339 60 1HD ARG 8 2HD ARG 8 -9.032 10.005 -12.006 61 2HD ARG 8 1HD ARG 8 -9.499 8.586 -12.940 62 1HH1 ARG 8 2HH1 ARG 8 -10.624 7.193 -13.042 63 2HH1 ARG 8 1HH1 ARG 8 -12.231 6.602 -12.778 64 1HH2 ARG 8 1HH2 ARG 8 -12.948 8.858 -10.205 65 2HH2 ARG 8 2HH2 ARG 8 -13.553 7.549 -11.165 66 H ARG 8 H ARG 8 -5.304 6.852 -10.643 67 HA ARG 8 HA ARG 8 -7.645 5.761 -11.763 68 HE ARG 8 HE ARG 8 -10.831 9.629 -10.561 69 1HB SER 9 2HB SER 9 -3.185 7.059 -14.886 70 2HB SER 9 1HB SER 9 -2.407 5.494 -14.655 71 H SER 9 H SER 9 -4.435 6.007 -12.951 72 HA SER 9 HA SER 9 -5.211 5.721 -15.736 73 HG SER 9 HG SER 9 -2.795 5.089 -16.892 74 1HA GLY 10 2HA GLY 10 -3.728 1.440 -14.669 75 2HA GLY 10 1HA GLY 10 -5.335 1.345 -13.965 76 H GLY 10 H GLY 10 -4.562 3.723 -13.061 77 1HB LYS 11 2HB LYS 11 -5.207 -1.519 -10.753 78 2HB LYS 11 1HB LYS 11 -3.970 -2.649 -11.292 79 1HG LYS 11 2HG LYS 11 -2.857 -2.260 -9.039 80 2HG LYS 11 1HG LYS 11 -4.369 -1.490 -8.555 81 1HD LYS 11 2HD LYS 11 -5.077 -3.531 -7.995 82 2HD LYS 11 1HD LYS 11 -5.189 -3.854 -9.726 83 1HE LYS 11 2HE LYS 11 -2.587 -4.221 -8.303 84 2HE LYS 11 1HE LYS 11 -3.834 -5.461 -8.189 85 H LYS 11 H LYS 11 -4.266 -0.606 -12.985 86 HA LYS 11 HA LYS 11 -3.293 0.127 -10.335 87 1HZ LYS 11 3HZ LYS 11 -3.259 -4.502 -10.865 88 2HZ LYS 11 2HZ LYS 11 -2.014 -5.374 -10.125 89 3HZ LYS 11 1HZ LYS 11 -3.539 -6.078 -10.314 90 1HB TYR 12 2HB TYR 12 -0.540 -3.276 -11.099 91 2HB TYR 12 1HB TYR 12 1.180 -3.115 -11.432 92 H TYR 12 H TYR 12 -1.402 -0.696 -9.423 93 HA TYR 12 HA TYR 12 0.789 -1.311 -9.382 94 HD1 TYR 12 HD1 TYR 12 0.328 -2.348 -8.043 95 HD2 TYR 12 HD2 TYR 12 1.183 -5.556 -10.701 96 HE1 TYR 12 HE1 TYR 12 0.841 -3.797 -6.121 97 HE2 TYR 12 HE2 TYR 12 1.694 -7.014 -8.788 98 HH TYR 12 HH TYR 12 0.985 -7.057 -6.266 99 1HB LYS 13 2HB LYS 13 1.559 2.253 -14.177 100 2HB LYS 13 1HB LYS 13 1.208 0.540 -13.980 101 1HG LYS 13 2HG LYS 13 -0.944 1.042 -13.945 102 2HG LYS 13 1HG LYS 13 -0.684 1.889 -12.419 103 1HD LYS 13 2HD LYS 13 -1.643 3.538 -13.722 104 2HD LYS 13 1HD LYS 13 0.080 3.852 -13.948 105 1HE LYS 13 2HE LYS 13 -0.650 1.964 -15.900 106 2HE LYS 13 1HE LYS 13 -1.915 3.192 -15.898 107 H LYS 13 H LYS 13 0.618 1.053 -10.483 108 HA LYS 13 HA LYS 13 2.797 1.147 -12.301 109 1HZ LYS 13 1HZ LYS 13 0.884 4.064 -15.877 110 2HZ LYS 13 3HZ LYS 13 0.230 3.488 -17.328 111 3HZ LYS 13 2HZ LYS 13 -0.473 4.816 -16.551 112 1HB LEU 14 2HB LEU 14 0.299 5.703 -8.565 113 2HB LEU 14 1HB LEU 14 -0.595 4.594 -9.578 114 H LEU 14 H LEU 14 1.150 2.406 -9.871 115 HA LEU 14 HA LEU 14 1.530 5.213 -10.587 116 HG LEU 14 HG LEU 14 0.615 2.818 -7.985 117 1HD1 LEU 14 3HD1 LEU 14 0.850 5.414 -6.641 118 2HD1 LEU 14 2HD1 LEU 14 0.159 4.123 -5.657 119 3HD1 LEU 14 1HD1 LEU 14 1.749 3.917 -6.392 120 1HD2 LEU 14 2HD2 LEU 14 -1.939 3.775 -8.353 121 2HD2 LEU 14 1HD2 LEU 14 -1.485 2.386 -7.367 122 3HD2 LEU 14 3HD2 LEU 14 -1.680 3.973 -6.620 123 H THR 15 H THR 15 2.400 6.602 -8.723 124 HA THR 15 HA THR 15 4.777 5.265 -7.598 125 HB THR 15 HB THR 15 6.056 7.235 -7.895 126 HG1 THR 15 HG1 THR 15 3.593 8.438 -7.916 127 1HG2 THR 15 2HG2 THR 15 4.676 6.061 -10.116 128 2HG2 THR 15 1HG2 THR 15 4.975 7.769 -10.444 129 3HG2 THR 15 3HG2 THR 15 6.318 6.700 -10.042 130 1HB TYR 16 2HB TYR 16 6.362 7.347 -3.537 131 2HB TYR 16 1HB TYR 16 6.371 8.956 -4.253 132 H TYR 16 H TYR 16 5.577 7.598 -6.125 133 HA TYR 16 HA TYR 16 3.934 7.222 -3.784 134 HD1 TYR 16 HD1 TYR 16 4.997 7.058 -1.354 135 HD2 TYR 16 HD2 TYR 16 6.224 10.832 -2.886 136 HE1 TYR 16 HE1 TYR 16 4.732 8.044 0.881 137 HE2 TYR 16 HE2 TYR 16 5.957 11.831 -0.655 138 HH TYR 16 HH TYR 16 5.578 11.427 1.510 139 H ALA 17 H ALA 17 4.916 9.980 -5.804 140 HA ALA 17 HA ALA 17 3.243 11.877 -4.560 141 1HB ALA 17 2HB ALA 17 5.159 12.460 -6.010 142 2HB ALA 17 1HB ALA 17 4.249 11.878 -7.405 143 3HB ALA 17 3HB ALA 17 3.670 13.273 -6.494 144 1HB GLU 18 2HB GLU 18 1.673 7.922 -8.333 145 2HB GLU 18 1HB GLU 18 0.033 8.148 -8.924 146 1HG GLU 18 2HG GLU 18 0.675 9.712 -10.497 147 2HG GLU 18 1HG GLU 18 2.160 10.116 -9.636 148 H GLU 18 H GLU 18 2.739 9.500 -7.055 149 HA GLU 18 HA GLU 18 0.210 10.525 -7.940 150 H ALA 19 H ALA 19 1.132 7.608 -6.132 151 HA ALA 19 HA ALA 19 -1.324 6.695 -5.356 152 1HB ALA 19 2HB ALA 19 0.070 5.223 -4.443 153 2HB ALA 19 3HB ALA 19 0.270 6.344 -3.095 154 3HB ALA 19 1HB ALA 19 1.394 6.389 -4.455 155 1HB LYS 20 2HB LYS 20 1.355 10.453 -2.035 156 2HB LYS 20 1HB LYS 20 0.578 11.786 -2.870 157 1HG LYS 20 2HG LYS 20 0.072 12.820 -0.964 158 2HG LYS 20 1HG LYS 20 -0.529 11.336 -0.222 159 1HD LYS 20 2HD LYS 20 1.269 11.475 1.103 160 2HD LYS 20 1HD LYS 20 2.178 10.907 -0.298 161 1HE LYS 20 2HE LYS 20 1.629 13.823 0.003 162 2HE LYS 20 1HE LYS 20 2.900 13.082 0.972 163 H LYS 20 H LYS 20 0.621 9.177 -3.748 164 HA LYS 20 HA LYS 20 -1.040 9.626 -1.559 165 1HZ LYS 20 2HZ LYS 20 3.586 12.123 -1.357 166 2HZ LYS 20 1HZ LYS 20 2.772 13.494 -1.921 167 3HZ LYS 20 3HZ LYS 20 4.082 13.664 -0.862 168 H ALA 21 H ALA 21 -0.868 11.272 -4.690 169 HA ALA 21 HA ALA 21 -2.877 13.164 -4.234 170 1HB ALA 21 2HB ALA 21 -2.649 13.726 -6.427 171 2HB ALA 21 1HB ALA 21 -1.176 12.774 -6.242 172 3HB ALA 21 3HB ALA 21 -2.610 12.048 -6.969 173 H VAL 22 H VAL 22 -3.063 9.881 -5.548 174 HA VAL 22 HA VAL 22 -5.748 9.824 -6.258 175 HB VAL 22 HB VAL 22 -3.715 7.804 -5.531 176 1HG1 VAL 22 3HG1 VAL 22 -6.656 7.160 -5.469 177 2HG1 VAL 22 2HG1 VAL 22 -5.349 5.976 -5.470 178 3HG1 VAL 22 1HG1 VAL 22 -5.536 7.082 -4.110 179 1HG2 VAL 22 3HG2 VAL 22 -4.095 8.520 -7.834 180 2HG2 VAL 22 2HG2 VAL 22 -4.452 6.804 -7.629 181 3HG2 VAL 22 1HG2 VAL 22 -5.768 7.974 -7.732 182 1HB CYS 23 2HB CYS 23 -3.747 9.249 -1.052 183 2HB CYS 23 1HB CYS 23 -4.937 9.477 0.224 184 H CYS 23 H CYS 23 -4.190 9.346 -3.144 185 HA CYS 23 HA CYS 23 -6.562 8.608 -1.738 186 1HB GLU 24 2HB GLU 24 -3.837 13.463 -1.536 187 2HB GLU 24 1HB GLU 24 -4.925 14.795 -1.900 188 1HG GLU 24 2HG GLU 24 -5.178 15.193 0.528 189 2HG GLU 24 1HG GLU 24 -3.984 13.930 0.825 190 H GLU 24 H GLU 24 -4.538 11.528 -1.578 191 HA GLU 24 HA GLU 24 -6.244 13.088 -0.047 192 1HB PHE 25 2HB PHE 25 -7.211 12.656 -5.700 193 2HB PHE 25 1HB PHE 25 -8.121 11.280 -5.085 194 H PHE 25 H PHE 25 -6.807 11.913 -3.126 195 HA PHE 25 HA PHE 25 -8.337 14.141 -4.121 196 HD1 PHE 25 HD1 PHE 25 -10.456 10.977 -5.645 197 HD2 PHE 25 HD2 PHE 25 -8.246 14.290 -7.147 198 HE1 PHE 25 HE1 PHE 25 -12.225 11.401 -7.301 199 HE2 PHE 25 HE2 PHE 25 -10.012 14.720 -8.805 200 HZ PHE 25 HZ PHE 25 -12.003 13.274 -8.884 201 1HB GLU 26 2HB GLU 26 -9.949 9.257 -2.042 202 2HB GLU 26 1HB GLU 26 -11.305 9.318 -0.932 203 1HG GLU 26 2HG GLU 26 -12.601 9.510 -3.279 204 2HG GLU 26 1HG GLU 26 -11.197 8.568 -3.776 205 H GLU 26 H GLU 26 -8.956 11.028 -2.603 206 HA GLU 26 HA GLU 26 -11.810 11.354 -2.729 207 1HA GLY 27 1HA GLY 27 -11.365 13.200 1.324 208 2HA GLY 27 2HA GLY 27 -9.957 14.176 0.925 209 H GLY 27 H GLY 27 -9.404 12.580 -0.784 210 1HA GLY 28 2HA GLY 28 -8.010 9.912 2.642 211 2HA GLY 28 1HA GLY 28 -7.869 11.358 3.633 212 H GLY 28 H GLY 28 -8.371 11.588 0.736 213 1HB HIS 29 2HB HIS 29 -2.230 10.879 3.569 214 2HB HIS 29 1HB HIS 29 -3.477 12.100 3.340 215 H HIS 29 H HIS 29 -5.833 9.505 3.498 216 HA HIS 29 HA HIS 29 -3.850 10.522 1.626 217 HD1 HIS 29 HD1 HIS 29 -4.634 12.754 5.417 218 HD2 HIS 29 HD2 HIS 29 -3.136 8.885 5.641 219 HE1 HIS 29 HE1 HIS 29 -5.158 11.964 7.747 220 HE2 HIS 29 HE2 HIS 29 -4.324 9.588 7.828 221 1HB LEU 30 2HB LEU 30 0.424 8.182 2.251 222 2HB LEU 30 1HB LEU 30 0.383 6.464 1.922 223 H LEU 30 H LEU 30 -1.673 9.375 2.054 224 HA LEU 30 HA LEU 30 -2.114 6.594 1.866 225 HG LEU 30 HG LEU 30 -0.537 8.675 0.089 226 1HD1 LEU 30 1HD1 LEU 30 1.944 8.157 0.364 227 2HD1 LEU 30 3HD1 LEU 30 1.589 6.616 -0.415 228 3HD1 LEU 30 2HD1 LEU 30 1.290 8.127 -1.273 229 1HD2 LEU 30 3HD2 LEU 30 -0.745 5.686 -0.208 230 2HD2 LEU 30 2HD2 LEU 30 -2.064 6.856 -0.182 231 3HD2 LEU 30 1HD2 LEU 30 -0.935 6.829 -1.537 232 H ALA 31 H ALA 31 -2.285 5.101 3.408 233 HA ALA 31 HA ALA 31 -2.349 5.708 6.134 234 1HB ALA 31 3HB ALA 31 -2.396 3.225 4.534 235 2HB ALA 31 2HB ALA 31 -1.976 3.069 6.241 236 3HB ALA 31 1HB ALA 31 -3.512 3.802 5.772 237 H THR 32 H THR 32 -0.962 3.772 7.469 238 HA THR 32 HA THR 32 1.865 4.377 6.920 239 HB THR 32 HB THR 32 2.268 5.232 8.957 240 HG1 THR 32 HG1 THR 32 0.638 4.309 10.741 241 1HG2 THR 32 1HG2 THR 32 -0.646 5.587 8.515 242 2HG2 THR 32 3HG2 THR 32 0.007 6.056 10.085 243 3HG2 THR 32 2HG2 THR 32 0.638 6.793 8.611 244 1HB TYR 33 2HB TYR 33 5.094 1.441 8.098 245 2HB TYR 33 1HB TYR 33 4.709 1.053 9.769 246 H TYR 33 H TYR 33 3.353 2.907 8.160 247 HA TYR 33 HA TYR 33 2.878 0.244 7.523 248 HD1 TYR 33 HD1 TYR 33 5.445 -0.415 6.457 249 HD2 TYR 33 HD2 TYR 33 5.039 -1.131 10.632 250 HE1 TYR 33 HE1 TYR 33 6.436 -2.646 6.165 251 HE2 TYR 33 HE2 TYR 33 6.032 -3.363 10.351 252 HH TYR 33 HH TYR 33 6.189 -5.059 8.272 253 1HB LYS 34 2HB LYS 34 1.760 2.515 12.541 254 2HB LYS 34 1HB LYS 34 0.718 1.532 13.556 255 1HG LYS 34 2HG LYS 34 2.849 0.258 14.184 256 2HG LYS 34 1HG LYS 34 3.709 1.625 13.476 257 1HD LYS 34 2HD LYS 34 1.711 2.688 15.165 258 2HD LYS 34 1HD LYS 34 2.514 1.398 16.061 259 1HE LYS 34 2HE LYS 34 4.693 2.525 15.173 260 2HE LYS 34 1HE LYS 34 3.648 3.928 14.951 261 H LYS 34 H LYS 34 2.778 1.775 10.734 262 HA LYS 34 HA LYS 34 1.977 -0.427 12.212 263 1HZ LYS 34 1HZ LYS 34 3.014 3.196 17.438 264 2HZ LYS 34 3HZ LYS 34 4.639 2.729 17.394 265 3HZ LYS 34 2HZ LYS 34 4.211 4.333 17.070 266 1HB GLN 35 2HB GLN 35 -1.777 2.462 8.808 267 2HB GLN 35 1HB GLN 35 -3.409 2.225 9.411 268 1HG GLN 35 2HG GLN 35 -2.841 3.482 11.433 269 2HG GLN 35 1HG GLN 35 -1.214 3.736 10.805 270 1HE2 GLN 35 1HE2 GLN 35 -3.322 5.652 11.518 271 2HE2 GLN 35 2HE2 GLN 35 -3.582 6.609 10.104 272 H GLN 35 H GLN 35 -0.038 1.998 10.569 273 HA GLN 35 HA GLN 35 -2.522 0.946 11.318 274 1HB LEU 36 2HB LEU 36 0.690 -0.780 7.152 275 2HB LEU 36 1HB LEU 36 0.535 -2.511 6.930 276 H LEU 36 H LEU 36 -0.305 0.127 8.729 277 HA LEU 36 HA LEU 36 -2.086 -1.535 7.273 278 HG LEU 36 HG LEU 36 0.538 -1.383 4.782 279 1HD1 LEU 36 3HD1 LEU 36 -1.536 -3.100 5.725 280 2HD1 LEU 36 2HD1 LEU 36 -2.201 -2.001 4.516 281 3HD1 LEU 36 1HD1 LEU 36 -0.811 -3.012 4.120 282 1HD2 LEU 36 3HD2 LEU 36 -0.949 0.570 6.127 283 2HD2 LEU 36 2HD2 LEU 36 -0.463 0.565 4.431 284 3HD2 LEU 36 1HD2 LEU 36 -2.027 -0.099 4.902 285 1HB GLU 37 2HB GLU 37 1.422 -3.361 11.559 286 2HB GLU 37 1HB GLU 37 0.019 -2.771 12.431 287 1HG GLU 37 2HG GLU 37 0.843 -4.365 13.864 288 2HG GLU 37 1HG GLU 37 -0.393 -5.259 12.979 289 H GLU 37 H GLU 37 -0.115 -1.956 10.089 290 HA GLU 37 HA GLU 37 -0.018 -4.777 10.168 291 H ALA 38 H ALA 38 -2.051 -2.509 11.988 292 HA ALA 38 HA ALA 38 -3.782 -4.369 13.129 293 1HB ALA 38 2HB ALA 38 -3.649 -1.959 13.739 294 2HB ALA 38 3HB ALA 38 -5.299 -2.539 13.512 295 3HB ALA 38 1HB ALA 38 -4.522 -1.577 12.255 296 H ALA 39 H ALA 39 -3.701 -2.968 9.941 297 HA ALA 39 HA ALA 39 -6.287 -3.745 9.090 298 1HB ALA 39 1HB ALA 39 -3.821 -3.377 7.388 299 2HB ALA 39 2HB ALA 39 -4.874 -2.067 7.924 300 3HB ALA 39 3HB ALA 39 -5.499 -3.319 6.849 301 1HB ARG 40 2HB ARG 40 -1.667 -6.830 7.857 302 2HB ARG 40 1HB ARG 40 -1.596 -7.379 9.526 303 1HG ARG 40 2HG ARG 40 -1.936 -9.654 8.857 304 2HG ARG 40 1HG ARG 40 -2.228 -9.166 7.188 305 1HD ARG 40 2HD ARG 40 0.012 -10.028 7.388 306 2HD ARG 40 1HD ARG 40 0.078 -8.295 7.071 307 1HH1 ARG 40 2HH1 ARG 40 -0.146 -11.246 8.860 308 2HH1 ARG 40 1HH1 ARG 40 0.622 -11.783 10.317 309 1HH2 ARG 40 2HH2 ARG 40 2.000 -8.662 11.084 310 2HH2 ARG 40 1HH2 ARG 40 1.841 -10.315 11.581 311 H ARG 40 H ARG 40 -3.183 -5.332 9.262 312 HA ARG 40 HA ARG 40 -4.054 -7.666 7.790 313 HE ARG 40 HE ARG 40 0.984 -7.966 9.164 314 1HB LYS 41 2HB LYS 41 -4.704 -6.187 13.055 315 2HB LYS 41 1HB LYS 41 -5.197 -7.450 14.172 316 1HG LYS 41 2HG LYS 41 -2.688 -8.100 14.152 317 2HG LYS 41 1HG LYS 41 -2.455 -6.469 13.520 318 1HD LYS 41 2HD LYS 41 -2.768 -5.555 15.529 319 2HD LYS 41 1HD LYS 41 -4.248 -6.482 15.791 320 1HE LYS 41 2HE LYS 41 -1.421 -7.399 16.296 321 2HE LYS 41 1HE LYS 41 -2.647 -7.026 17.509 322 H LYS 41 H LYS 41 -3.658 -6.641 11.108 323 HA LYS 41 HA LYS 41 -3.882 -9.005 12.491 324 1HZ LYS 41 1HZ LYS 41 -3.989 -8.855 16.364 325 2HZ LYS 41 3HZ LYS 41 -2.521 -9.327 15.667 326 3HZ LYS 41 2HZ LYS 41 -2.697 -9.324 17.349 327 1HG1 ILE 42 1HG1 ILE 42 -8.056 -5.559 9.523 328 2HG1 ILE 42 2HG1 ILE 42 -7.933 -7.161 8.802 329 H ILE 42 H ILE 42 -6.327 -7.200 10.781 330 HA ILE 42 HA ILE 42 -8.480 -8.848 11.841 331 HB ILE 42 HB ILE 42 -9.996 -7.433 10.636 332 1HG2 ILE 42 2HG2 ILE 42 -8.936 -6.605 12.756 333 2HG2 ILE 42 1HG2 ILE 42 -7.861 -5.631 11.752 334 3HG2 ILE 42 3HG2 ILE 42 -9.602 -5.352 11.708 335 1HD1 ILE 42 2HD1 ILE 42 -10.677 -6.246 9.031 336 2HD1 ILE 42 1HD1 ILE 42 -9.670 -5.177 8.054 337 3HD1 ILE 42 3HD1 ILE 42 -9.804 -6.886 7.640 338 1HA GLY 43 1HA GLY 43 -8.154 -10.610 7.658 339 2HA GLY 43 2HA GLY 43 -6.398 -10.676 7.726 340 H GLY 43 H GLY 43 -6.588 -8.445 8.917 341 1HB PHE 44 2HB PHE 44 -6.238 -5.715 6.251 342 2HB PHE 44 1HB PHE 44 -4.589 -6.095 5.769 343 H PHE 44 H PHE 44 -5.647 -8.145 7.057 344 HA PHE 44 HA PHE 44 -7.002 -7.455 4.567 345 HD1 PHE 44 HD1 PHE 44 -6.856 -6.405 3.057 346 HD2 PHE 44 HD2 PHE 44 -4.619 -3.567 5.308 347 HE1 PHE 44 HE1 PHE 44 -7.028 -4.799 1.201 348 HE2 PHE 44 HE2 PHE 44 -4.787 -1.960 3.455 349 HZ PHE 44 HZ PHE 44 -5.995 -2.573 1.399 350 1HB HIS 45 2HB HIS 45 -4.859 -11.738 3.241 351 2HB HIS 45 1HB HIS 45 -6.033 -11.305 2.003 352 H HIS 45 H HIS 45 -6.417 -9.338 3.376 353 HA HIS 45 HA HIS 45 -3.580 -9.731 2.811 354 HD1 HIS 45 HD1 HIS 45 -5.714 -13.197 0.396 355 HD2 HIS 45 HD2 HIS 45 -2.128 -11.376 1.436 356 HE1 HIS 45 HE1 HIS 45 -3.979 -14.214 -1.113 357 HE2 HIS 45 HE2 HIS 45 -1.837 -13.022 -0.535 358 H VAL 46 H VAL 46 -2.612 -9.251 0.920 359 HA VAL 46 HA VAL 46 -3.846 -8.927 -1.564 360 HB VAL 46 HB VAL 46 -4.966 -6.984 -0.910 361 1HG1 VAL 46 3HG1 VAL 46 -3.047 -6.845 1.103 362 2HG1 VAL 46 2HG1 VAL 46 -2.852 -5.353 0.184 363 3HG1 VAL 46 1HG1 VAL 46 -4.424 -5.766 0.869 364 1HG2 VAL 46 3HG2 VAL 46 -3.451 -6.767 -2.951 365 2HG2 VAL 46 2HG2 VAL 46 -4.066 -5.275 -2.238 366 3HG2 VAL 46 1HG2 VAL 46 -2.407 -5.785 -1.923 367 1HB CYS 47 2HB CYS 47 1.030 -10.630 -3.702 368 2HB CYS 47 1HB CYS 47 -0.688 -10.991 -3.571 369 H CYS 47 H CYS 47 -2.190 -9.552 -2.780 370 HA CYS 47 HA CYS 47 0.528 -9.188 -2.016 371 H ALA 48 H ALA 48 -1.371 -6.835 -2.801 372 HA ALA 48 HA ALA 48 0.354 -5.577 -4.809 373 1HB ALA 48 1HB ALA 48 -2.149 -4.320 -3.764 374 2HB ALA 48 3HB ALA 48 -1.390 -4.160 -5.348 375 3HB ALA 48 2HB ALA 48 -2.245 -5.644 -4.925 376 H ALA 49 H ALA 49 1.841 -4.155 -4.206 377 HA ALA 49 HA ALA 49 2.085 -3.402 -1.453 378 1HB ALA 49 3HB ALA 49 4.206 -3.503 -2.137 379 2HB ALA 49 2HB ALA 49 3.752 -3.335 -3.833 380 3HB ALA 49 1HB ALA 49 3.941 -1.900 -2.824 381 1HA GLY 50 2HA GLY 50 -0.183 0.201 -0.558 382 2HA GLY 50 1HA GLY 50 0.330 0.545 -2.202 383 H GLY 50 H GLY 50 1.500 -1.552 -0.488 384 1HB TRP 51 2HB TRP 51 1.807 4.701 -2.580 385 2HB TRP 51 1HB TRP 51 3.213 5.409 -1.792 386 H TRP 51 H TRP 51 1.292 2.453 -2.300 387 HA TRP 51 HA TRP 51 3.659 3.038 -0.887 388 HD1 TRP 51 HD1 TRP 51 2.207 3.269 -4.737 389 HE1 TRP 51 HE1 TRP 51 4.288 2.776 -6.184 390 HE3 TRP 51 HE3 TRP 51 5.825 5.045 -1.590 391 HZ2 TRP 51 HZ2 TRP 51 7.085 3.102 -6.007 392 HZ3 TRP 51 HZ3 TRP 51 8.177 4.919 -2.304 393 HH2 TRP 51 HH2 TRP 51 8.792 3.967 -4.467 394 1HB MET 52 2HB MET 52 2.209 3.905 4.523 395 2HB MET 52 1HB MET 52 1.063 3.384 3.297 396 1HG MET 52 2HG MET 52 2.767 1.869 2.377 397 2HG MET 52 1HG MET 52 3.869 2.362 3.662 398 H MET 52 H MET 52 3.836 3.536 1.186 399 HA MET 52 HA MET 52 1.869 5.354 2.385 400 1HE MET 52 1HE MET 52 4.082 -0.142 3.660 401 2HE MET 52 3HE MET 52 4.115 0.021 5.416 402 3HE MET 52 2HE MET 52 3.104 -1.213 4.664 403 H ALA 53 H ALA 53 2.749 5.897 4.744 404 HA ALA 53 HA ALA 53 4.277 7.228 5.813 405 1HB ALA 53 3HB ALA 53 5.946 5.987 6.679 406 2HB ALA 53 2HB ALA 53 5.108 4.672 5.855 407 3HB ALA 53 1HB ALA 53 6.505 5.439 5.099 408 1HB LYS 54 2HB LYS 54 9.025 8.080 5.131 409 2HB LYS 54 1HB LYS 54 9.675 8.522 3.560 410 1HG LYS 54 2HG LYS 54 8.486 10.772 4.974 411 2HG LYS 54 1HG LYS 54 9.823 10.024 5.847 412 1HD LYS 54 2HD LYS 54 11.183 10.197 3.756 413 2HD LYS 54 1HD LYS 54 9.863 11.126 3.042 414 1HE LYS 54 2HE LYS 54 10.709 12.964 3.948 415 2HE LYS 54 1HE LYS 54 10.389 12.289 5.546 416 H LYS 54 H LYS 54 6.988 7.630 5.427 417 HA LYS 54 HA LYS 54 7.145 9.761 3.752 418 1HZ LYS 54 3HZ LYS 54 12.710 11.087 4.653 419 2HZ LYS 54 2HZ LYS 54 12.875 12.725 4.266 420 3HZ LYS 54 1HZ LYS 54 12.566 12.260 5.862 421 1HA GLY 55 1HA GLY 55 8.071 6.968 0.157 422 2HA GLY 55 2HA GLY 55 6.374 6.533 0.318 423 H GLY 55 H GLY 55 7.113 6.426 2.860 424 1HB ARG 56 2HB ARG 56 8.398 3.078 3.868 425 2HB ARG 56 1HB ARG 56 6.713 2.573 3.868 426 1HG ARG 56 2HG ARG 56 7.402 0.335 3.120 427 2HG ARG 56 1HG ARG 56 9.089 0.851 3.192 428 1HD ARG 56 2HD ARG 56 7.331 1.149 5.591 429 2HD ARG 56 1HD ARG 56 8.030 -0.423 5.203 430 1HH1 ARG 56 1HH1 ARG 56 7.605 2.706 6.281 431 2HH1 ARG 56 2HH1 ARG 56 8.596 3.751 7.243 432 1HH2 ARG 56 2HH2 ARG 56 11.503 1.851 6.831 433 2HH2 ARG 56 1HH2 ARG 56 10.813 3.265 7.555 434 H ARG 56 H ARG 56 6.720 4.680 2.475 435 HA ARG 56 HA ARG 56 8.500 2.625 1.428 436 HE ARG 56 HE ARG 56 10.188 0.481 5.568 437 H VAL 57 H VAL 57 7.829 0.661 0.609 438 HA VAL 57 HA VAL 57 4.939 0.408 0.086 439 HB VAL 57 HB VAL 57 5.257 0.045 -2.102 440 1HG1 VAL 57 2HG1 VAL 57 6.871 1.982 -1.384 441 2HG1 VAL 57 1HG1 VAL 57 8.119 0.851 -1.910 442 3HG1 VAL 57 3HG1 VAL 57 6.872 1.377 -3.041 443 1HG2 VAL 57 2HG2 VAL 57 7.668 -1.576 -1.319 444 2HG2 VAL 57 1HG2 VAL 57 6.107 -2.154 -1.901 445 3HG2 VAL 57 3HG2 VAL 57 7.198 -1.305 -2.996 446 1HA GLY 58 2HA GLY 58 5.022 -3.495 1.915 447 2HA GLY 58 1HA GLY 58 5.543 -4.084 0.343 448 H GLY 58 H GLY 58 4.092 -1.726 -0.073 449 1HB TYR 59 2HB TYR 59 1.401 -7.614 -0.838 450 2HB TYR 59 1HB TYR 59 1.642 -6.017 -1.543 451 H TYR 59 H TYR 59 4.175 -5.935 0.956 452 HA TYR 59 HA TYR 59 1.307 -5.416 0.646 453 HD1 TYR 59 HD1 TYR 59 4.080 -5.203 -1.799 454 HD2 TYR 59 HD2 TYR 59 3.029 -9.276 -1.103 455 HE1 TYR 59 HE1 TYR 59 6.265 -5.913 -2.672 456 HE2 TYR 59 HE2 TYR 59 5.212 -9.988 -1.978 457 HH TYR 59 HH TYR 59 7.122 -8.242 -3.816 458 1HB PRO 60 2HB PRO 60 -0.747 -7.718 5.114 459 2HB PRO 60 1HB PRO 60 0.671 -6.777 5.579 460 1HG PRO 60 2HG PRO 60 -1.422 -6.176 3.542 461 2HG PRO 60 1HG PRO 60 -0.588 -5.078 4.655 462 1HD PRO 60 2HD PRO 60 0.055 -5.245 2.039 463 2HD PRO 60 1HD PRO 60 1.263 -4.899 3.291 464 HA PRO 60 HA PRO 60 1.819 -8.208 4.227 465 1HG1 ILE 61 2HG1 ILE 61 2.572 -10.518 1.370 466 2HG1 ILE 61 1HG1 ILE 61 2.694 -11.690 0.062 467 H ILE 61 H ILE 61 1.833 -10.154 3.120 468 HA ILE 61 HA ILE 61 -0.640 -11.134 1.935 469 HB ILE 61 HB ILE 61 1.868 -12.759 2.103 470 1HG2 ILE 61 2HG2 ILE 61 -0.636 -13.048 0.880 471 2HG2 ILE 61 1HG2 ILE 61 0.509 -12.723 -0.423 472 3HG2 ILE 61 3HG2 ILE 61 0.785 -14.073 0.678 473 1HD1 ILE 61 2HD1 ILE 61 0.214 -10.074 0.302 474 2HD1 ILE 61 1HD1 ILE 61 1.673 -9.322 -0.343 475 3HD1 ILE 61 3HD1 ILE 61 0.993 -10.745 -1.130 476 H VAL 62 H VAL 62 -1.812 -12.850 2.657 477 HA VAL 62 HA VAL 62 -0.962 -14.168 5.139 478 HB VAL 62 HB VAL 62 -3.829 -13.365 4.726 479 1HG1 VAL 62 3HG1 VAL 62 -2.711 -15.083 6.483 480 2HG1 VAL 62 2HG1 VAL 62 -2.633 -13.583 7.407 481 3HG1 VAL 62 1HG1 VAL 62 -4.183 -14.166 6.802 482 1HG2 VAL 62 1HG2 VAL 62 -2.515 -11.307 4.672 483 2HG2 VAL 62 3HG2 VAL 62 -3.456 -11.423 6.159 484 3HG2 VAL 62 2HG2 VAL 62 -1.726 -11.765 6.182 485 1HB LYS 63 2HB LYS 63 -4.983 -15.438 2.140 486 2HB LYS 63 1HB LYS 63 -4.588 -15.628 0.439 487 1HG LYS 63 2HG LYS 63 -4.668 -18.211 1.606 488 2HG LYS 63 1HG LYS 63 -6.117 -17.335 2.104 489 1HD LYS 63 2HD LYS 63 -6.930 -17.195 -0.016 490 2HD LYS 63 1HD LYS 63 -5.325 -17.127 -0.743 491 1HE LYS 63 2HE LYS 63 -5.836 -19.225 -1.393 492 2HE LYS 63 1HE LYS 63 -5.275 -19.628 0.227 493 H LYS 63 H LYS 63 -2.450 -14.279 2.059 494 HA LYS 63 HA LYS 63 -2.960 -17.156 2.408 495 1HZ LYS 63 3HZ LYS 63 -7.995 -18.920 0.338 496 2HZ LYS 63 2HZ LYS 63 -7.788 -20.088 -0.867 497 3HZ LYS 63 1HZ LYS 63 -7.273 -20.404 0.713 498 1HB PRO 64 2HB PRO 64 1.315 -18.576 0.189 499 2HB PRO 64 1HB PRO 64 2.117 -17.093 -0.330 500 1HG PRO 64 2HG PRO 64 1.751 -17.634 2.259 501 2HG PRO 64 1HG PRO 64 1.622 -15.981 1.634 502 1HD PRO 64 2HD PRO 64 -0.533 -17.870 2.456 503 2HD PRO 64 1HD PRO 64 -0.456 -16.102 2.610 504 HA PRO 64 HA PRO 64 0.159 -16.115 -1.008 505 1HA GLY 65 2HA GLY 65 -1.736 -18.651 -3.960 506 2HA GLY 65 1HA GLY 65 -0.634 -19.855 -3.305 507 H GLY 65 H GLY 65 0.249 -17.117 -2.976 508 1HB PRO 66 2HB PRO 66 -0.238 -16.703 -8.934 509 2HB PRO 66 1HB PRO 66 -1.206 -18.166 -8.728 510 1HG PRO 66 2HG PRO 66 -1.274 -15.611 -7.167 511 2HG PRO 66 1HG PRO 66 -2.624 -16.596 -7.757 512 1HD PRO 66 2HD PRO 66 -1.726 -16.684 -5.186 513 2HD PRO 66 1HD PRO 66 -2.478 -18.071 -6.000 514 HA PRO 66 HA PRO 66 0.704 -18.882 -7.649 515 1HB ASN 67 2HB ASN 67 3.261 -13.419 -9.259 516 2HB ASN 67 1HB ASN 67 3.415 -14.859 -10.260 517 1HD2 ASN 67 1HD2 ASN 67 1.729 -15.507 -11.439 518 2HD2 ASN 67 2HD2 ASN 67 0.157 -14.792 -11.393 519 H ASN 67 H ASN 67 1.234 -16.299 -9.013 520 HA ASN 67 HA ASN 67 3.816 -15.812 -8.217 521 1HB CYS 68 2HB CYS 68 -0.668 -13.561 -5.339 522 2HB CYS 68 1HB CYS 68 -0.080 -12.295 -4.268 523 H CYS 68 H CYS 68 0.890 -14.747 -6.763 524 HA CYS 68 HA CYS 68 2.223 -12.692 -5.176 525 1HA GLY 69 2HA GLY 69 2.514 -16.010 -2.215 526 2HA GLY 69 1HA GLY 69 2.672 -14.524 -1.287 527 H GLY 69 H GLY 69 3.520 -13.753 -3.726 528 1HB PHE 70 2HB PHE 70 6.358 -12.841 0.056 529 2HB PHE 70 1HB PHE 70 7.220 -13.936 1.130 530 H PHE 70 H PHE 70 4.611 -14.007 -0.465 531 HA PHE 70 HA PHE 70 7.072 -14.902 -1.630 532 HD1 PHE 70 HD1 PHE 70 7.509 -12.024 -2.022 533 HD2 PHE 70 HD2 PHE 70 9.556 -14.084 1.089 534 HE1 PHE 70 HE1 PHE 70 9.653 -11.154 -2.862 535 HE2 PHE 70 HE2 PHE 70 11.703 -13.217 0.256 536 HZ PHE 70 HZ PHE 70 11.753 -11.750 -1.722 537 1HA GLY 71 1HA GLY 71 6.802 -18.482 0.999 538 2HA GLY 71 2HA GLY 71 5.095 -18.801 0.707 539 H GLY 71 H GLY 71 4.818 -16.533 0.069 540 1HB LYS 72 2HB LYS 72 7.572 -15.451 4.298 541 2HB LYS 72 1HB LYS 72 6.595 -14.834 5.623 542 1HG LYS 72 2HG LYS 72 7.027 -16.870 6.899 543 2HG LYS 72 1HG LYS 72 7.999 -17.498 5.566 544 1HD LYS 72 2HD LYS 72 9.679 -15.900 5.882 545 2HD LYS 72 1HD LYS 72 8.631 -14.861 6.850 546 1HE LYS 72 2HE LYS 72 8.583 -17.013 8.405 547 2HE LYS 72 1HE LYS 72 10.139 -17.298 7.625 548 H LYS 72 H LYS 72 6.336 -16.067 2.532 549 HA LYS 72 HA LYS 72 5.503 -17.340 5.038 550 1HZ LYS 72 1HZ LYS 72 10.361 -14.724 8.278 551 2HZ LYS 72 3HZ LYS 72 9.375 -15.262 9.544 552 3HZ LYS 72 2HZ LYS 72 10.879 -15.987 9.275 553 H THR 73 H THR 73 4.511 -15.762 6.667 554 HA THR 73 HA THR 73 2.395 -14.241 5.296 555 HB THR 73 HB THR 73 1.137 -14.535 7.490 556 HG1 THR 73 HG1 THR 73 1.924 -16.511 8.619 557 1HG2 THR 73 1HG2 THR 73 0.874 -15.888 5.312 558 2HG2 THR 73 3HG2 THR 73 1.720 -17.172 6.178 559 3HG2 THR 73 2HG2 THR 73 0.187 -16.556 6.794 560 1HA GLY 74 2HA GLY 74 4.234 -10.902 7.474 561 2HA GLY 74 1HA GLY 74 2.526 -10.506 7.619 562 H GLY 74 H GLY 74 2.480 -12.105 5.486 563 1HG1 ILE 75 1HG1 ILE 75 2.092 -5.333 5.465 564 2HG1 ILE 75 2HG1 ILE 75 1.998 -6.252 6.963 565 H ILE 75 H ILE 75 3.854 -8.353 7.297 566 HA ILE 75 HA ILE 75 3.097 -7.350 4.749 567 HB ILE 75 HB ILE 75 4.456 -6.202 7.144 568 1HG2 ILE 75 2HG2 ILE 75 4.427 -4.909 4.423 569 2HG2 ILE 75 1HG2 ILE 75 4.754 -4.053 5.930 570 3HG2 ILE 75 3HG2 ILE 75 5.840 -5.333 5.389 571 1HD1 ILE 75 1HD1 ILE 75 3.236 -4.254 8.007 572 2HD1 ILE 75 3HD1 ILE 75 2.731 -3.388 6.555 573 3HD1 ILE 75 2HD1 ILE 75 1.520 -4.094 7.627 574 1HG1 ILE 76 2HG1 ILE 76 4.186 -9.227 2.261 575 2HG1 ILE 76 1HG1 ILE 76 4.175 -9.707 0.569 576 H ILE 76 H ILE 76 4.173 -7.510 2.909 577 HA ILE 76 HA ILE 76 6.990 -8.253 2.927 578 HB ILE 76 HB ILE 76 5.448 -7.805 0.409 579 1HG2 ILE 76 3HG2 ILE 76 7.889 -8.396 0.485 580 2HG2 ILE 76 2HG2 ILE 76 7.409 -9.966 1.129 581 3HG2 ILE 76 1HG2 ILE 76 6.874 -9.471 -0.477 582 1HD1 ILE 76 3HD1 ILE 76 6.430 -10.804 2.030 583 2HD1 ILE 76 2HD1 ILE 76 4.868 -11.291 2.688 584 3HD1 ILE 76 1HD1 ILE 76 5.245 -11.599 0.993 585 1HB ASP 77 2HB ASP 77 6.825 -3.054 3.247 586 2HB ASP 77 1HB ASP 77 7.639 -3.965 4.515 587 H ASP 77 H ASP 77 7.916 -6.282 3.615 588 HA ASP 77 HA ASP 77 7.900 -4.183 1.550 589 1HB TYR 78 2HB TYR 78 11.323 -4.702 -0.865 590 2HB TYR 78 1HB TYR 78 12.972 -4.159 -0.571 591 H TYR 78 H TYR 78 9.796 -4.194 0.555 592 HA TYR 78 HA TYR 78 12.177 -5.163 1.888 593 HD1 TYR 78 HD1 TYR 78 10.786 -7.112 0.119 594 HD2 TYR 78 HD2 TYR 78 14.679 -5.688 -0.836 595 HE1 TYR 78 HE1 TYR 78 11.579 -9.431 -0.076 596 HE2 TYR 78 HE2 TYR 78 15.484 -8.004 -1.035 597 HH TYR 78 HH TYR 78 14.608 -10.230 -1.437 598 1HA GLY 79 2HA GLY 79 13.082 -0.999 3.036 599 2HA GLY 79 1HA GLY 79 11.422 -0.452 3.268 600 H GLY 79 H GLY 79 10.702 -2.459 2.381 601 1HG1 ILE 80 1HG1 ILE 80 11.592 3.532 2.582 602 2HG1 ILE 80 2HG1 ILE 80 12.590 4.980 2.671 603 H ILE 80 H ILE 80 12.513 1.605 2.553 604 HA ILE 80 HA ILE 80 11.625 2.464 0.126 605 HB ILE 80 HB ILE 80 14.025 3.430 1.676 606 1HG2 ILE 80 3HG2 ILE 80 12.887 4.353 -0.902 607 2HG2 ILE 80 2HG2 ILE 80 13.389 5.584 0.257 608 3HG2 ILE 80 1HG2 ILE 80 14.551 4.388 -0.318 609 1HD1 ILE 80 2HD1 ILE 80 10.752 4.524 0.359 610 2HD1 ILE 80 1HD1 ILE 80 10.167 5.203 1.877 611 3HD1 ILE 80 3HD1 ILE 80 11.426 6.035 0.967 612 1HB ARG 81 2HB ARG 81 12.487 1.733 -4.505 613 2HB ARG 81 1HB ARG 81 13.565 0.370 -4.769 614 1HG ARG 81 2HG ARG 81 11.628 0.177 -2.533 615 2HG ARG 81 1HG ARG 81 11.006 0.054 -4.181 616 1HD ARG 81 2HD ARG 81 13.309 -1.591 -3.155 617 2HD ARG 81 1HD ARG 81 11.631 -2.127 -3.082 618 1HH1 ARG 81 2HH1 ARG 81 13.496 -3.654 -3.444 619 2HH1 ARG 81 1HH1 ARG 81 13.960 -4.792 -4.664 620 1HH2 ARG 81 2HH2 ARG 81 12.656 -2.924 -7.315 621 2HH2 ARG 81 1HH2 ARG 81 13.483 -4.378 -6.865 622 H ARG 81 H ARG 81 12.179 2.200 -1.941 623 HA ARG 81 HA ARG 81 14.498 0.575 -2.577 624 HE ARG 81 HE ARG 81 12.049 -1.430 -5.701 625 1HB LEU 82 2HB LEU 82 17.327 3.010 -3.368 626 2HB LEU 82 1HB LEU 82 17.618 4.488 -4.259 627 H LEU 82 H LEU 82 14.762 3.394 -1.645 628 HA LEU 82 HA LEU 82 16.018 5.238 -2.082 629 HG LEU 82 HG LEU 82 19.399 4.053 -2.645 630 1HD1 LEU 82 1HD1 LEU 82 17.801 6.449 -2.759 631 2HD1 LEU 82 3HD1 LEU 82 18.597 6.289 -1.193 632 3HD1 LEU 82 2HD1 LEU 82 19.553 6.267 -2.675 633 1HD2 LEU 82 2HD2 LEU 82 17.507 3.039 -1.026 634 2HD2 LEU 82 1HD2 LEU 82 19.090 3.576 -0.462 635 3HD2 LEU 82 3HD2 LEU 82 17.693 4.643 -0.315 636 1HB ASN 83 2HB ASN 83 14.895 5.365 -6.938 637 2HB ASN 83 1HB ASN 83 13.626 4.149 -6.828 638 1HD2 ASN 83 2HD2 ASN 83 12.579 4.063 -8.672 639 2HD2 ASN 83 1HD2 ASN 83 12.050 5.415 -9.608 640 H ASN 83 H ASN 83 13.583 4.475 -3.827 641 HA ASN 83 HA ASN 83 13.661 6.837 -5.439 642 1HB ARG 84 2HB ARG 84 8.298 7.914 -3.787 643 2HB ARG 84 1HB ARG 84 9.859 7.820 -2.984 644 1HG ARG 84 2HG ARG 84 10.652 9.650 -4.017 645 2HG ARG 84 1HG ARG 84 9.850 9.267 -5.542 646 1HD ARG 84 2HD ARG 84 8.398 10.883 -5.066 647 2HD ARG 84 1HD ARG 84 7.770 9.831 -3.799 648 1HH1 ARG 84 2HH1 ARG 84 7.827 12.502 -4.974 649 2HH1 ARG 84 1HH1 ARG 84 7.961 14.092 -4.299 650 1HH2 ARG 84 2HH2 ARG 84 9.755 13.061 -1.482 651 2HH2 ARG 84 1HH2 ARG 84 9.056 14.410 -2.316 652 H ARG 84 H ARG 84 11.729 7.623 -4.927 653 HA ARG 84 HA ARG 84 9.483 5.870 -4.417 654 HE ARG 84 HE ARG 84 9.574 10.971 -2.379 655 1HB SER 85 2HB SER 85 10.346 8.048 -9.188 656 2HB SER 85 1HB SER 85 10.970 6.456 -9.619 657 H SER 85 H SER 85 10.495 5.862 -7.102 658 HA SER 85 HA SER 85 8.197 7.019 -8.539 659 HG SER 85 HG SER 85 8.586 6.977 -10.815 660 1HB GLU 86 2HB GLU 86 8.104 1.841 -6.564 661 2HB GLU 86 1HB GLU 86 8.769 0.713 -7.738 662 1HG GLU 86 2HG GLU 86 10.309 3.052 -6.649 663 2HG GLU 86 1HG GLU 86 10.326 1.450 -5.913 664 H GLU 86 H GLU 86 8.984 4.268 -7.246 665 HA GLU 86 HA GLU 86 8.954 2.411 -9.401 666 1HB ARG 87 2HB ARG 87 4.013 0.527 -11.516 667 2HB ARG 87 1HB ARG 87 5.576 1.207 -11.940 668 1HG ARG 87 2HG ARG 87 6.631 -0.814 -10.892 669 2HG ARG 87 1HG ARG 87 5.010 -1.499 -10.763 670 1HD ARG 87 2HD ARG 87 5.477 -2.355 -12.789 671 2HD ARG 87 1HD ARG 87 5.022 -0.749 -13.358 672 1HH1 ARG 87 1HH1 ARG 87 5.660 -2.447 -14.915 673 2HH1 ARG 87 2HH1 ARG 87 6.880 -2.646 -16.127 674 1HH2 ARG 87 1HH2 ARG 87 9.328 -0.875 -14.367 675 2HH2 ARG 87 2HH2 ARG 87 8.968 -1.753 -15.815 676 H ARG 87 H ARG 87 7.235 0.839 -9.804 677 HA ARG 87 HA ARG 87 4.640 2.161 -9.855 678 HE ARG 87 HE ARG 87 7.714 -0.618 -12.778 679 1HB TRP 88 2HB TRP 88 3.776 1.231 -5.683 680 2HB TRP 88 1HB TRP 88 2.766 -0.044 -5.014 681 H TRP 88 H TRP 88 3.158 1.721 -8.398 682 HA TRP 88 HA TRP 88 2.732 -0.975 -7.443 683 HD1 TRP 88 HD1 TRP 88 6.207 0.761 -5.163 684 HE1 TRP 88 HE1 TRP 88 7.724 -1.315 -5.070 685 HE3 TRP 88 HE3 TRP 88 2.745 -2.817 -6.307 686 HZ2 TRP 88 HZ2 TRP 88 7.478 -4.108 -5.427 687 HZ3 TRP 88 HZ3 TRP 88 3.467 -5.167 -6.413 688 HH2 TRP 88 HH2 TRP 88 5.785 -5.796 -5.983 689 1HB ASP 89 2HB ASP 89 -0.925 -0.956 -4.599 690 2HB ASP 89 1HB ASP 89 -2.329 0.111 -4.623 691 H ASP 89 H ASP 89 1.322 0.117 -5.080 692 HA ASP 89 HA ASP 89 -0.946 1.446 -6.401 693 H ALA 90 H ALA 90 -2.246 1.213 -3.603 694 HA ALA 90 HA ALA 90 -0.599 2.764 -1.877 695 1HB ALA 90 3HB ALA 90 -1.037 4.514 -3.476 696 2HB ALA 90 1HB ALA 90 -1.881 4.862 -1.965 697 3HB ALA 90 2HB ALA 90 -2.775 4.234 -3.351 698 1HB TYR 91 2HB TYR 91 -1.322 1.576 2.230 699 2HB TYR 91 1HB TYR 91 -2.830 1.159 3.035 700 H TYR 91 H TYR 91 -1.231 2.382 0.123 701 HA TYR 91 HA TYR 91 -3.809 1.147 0.608 702 HD1 TYR 91 HD1 TYR 91 -4.091 -0.879 1.589 703 HD2 TYR 91 HD2 TYR 91 0.096 -0.205 1.989 704 HE1 TYR 91 HE1 TYR 91 -3.669 -3.258 1.158 705 HE2 TYR 91 HE2 TYR 91 0.525 -2.585 1.547 706 HH TYR 91 HH TYR 91 -0.837 -4.489 0.246 707 1HB CYS 92 2HB CYS 92 -6.752 4.189 -0.287 708 2HB CYS 92 1HB CYS 92 -7.541 5.062 1.021 709 H CYS 92 H CYS 92 -4.895 3.224 -0.033 710 HA CYS 92 HA CYS 92 -4.783 5.626 1.228 711 1HB TYR 93 2HB TYR 93 -4.697 5.034 5.441 712 2HB TYR 93 1HB TYR 93 -4.928 6.769 5.641 713 H TYR 93 H TYR 93 -6.096 6.604 2.920 714 HA TYR 93 HA TYR 93 -7.149 4.832 4.958 715 HD1 TYR 93 HD1 TYR 93 -6.538 7.556 7.455 716 HD2 TYR 93 HD2 TYR 93 -5.086 3.565 7.228 717 HE1 TYR 93 HE1 TYR 93 -7.149 7.209 9.812 718 HE2 TYR 93 HE2 TYR 93 -5.691 3.202 9.582 719 HH TYR 93 HH TYR 93 -6.086 4.518 11.607 720 1HB ASN 94 2HB ASN 94 -10.564 7.083 4.447 721 2HB ASN 94 1HB ASN 94 -11.423 8.284 5.407 722 1HD2 ASN 94 2HD2 ASN 94 -10.139 10.415 5.580 723 2HD2 ASN 94 1HD2 ASN 94 -9.531 11.025 4.081 724 H ASN 94 H ASN 94 -8.676 5.776 6.222 725 HA ASN 94 HA ASN 94 -8.977 8.612 6.444 726 1HB PRO 95 2HB PRO 95 -11.585 9.302 11.133 727 2HB PRO 95 1HB PRO 95 -9.981 8.631 11.444 728 1HG PRO 95 2HG PRO 95 -10.835 10.643 9.418 729 2HG PRO 95 1HG PRO 95 -9.330 10.554 10.348 730 1HD PRO 95 2HD PRO 95 -9.437 9.847 7.760 731 2HD PRO 95 1HD PRO 95 -8.394 8.994 8.917 732 HA PRO 95 HA PRO 95 -10.650 6.843 10.206 733 1HB HIS 96 2HB HIS 96 -14.025 10.208 7.685 734 2HB HIS 96 1HB HIS 96 -15.497 9.582 6.950 735 H HIS 96 H HIS 96 -12.228 8.485 7.673 736 HA HIS 96 HA HIS 96 -14.842 7.554 8.659 737 HD1 HIS 96 HD1 HIS 96 -17.581 9.409 8.425 738 HD2 HIS 96 HD2 HIS 96 -14.212 10.755 10.450 739 HE1 HIS 96 HE1 HIS 96 -18.422 10.260 10.637 740 HE2 HIS 96 HE2 HIS 96 -16.355 10.991 11.878 741 H ALA 97 H ALA 97 -12.762 6.368 6.866 742 HA ALA 97 HA ALA 97 -13.922 6.409 4.225 743 1HB ALA 97 3HB ALA 97 -12.188 4.447 3.975 744 2HB ALA 97 1HB ALA 97 -11.560 5.104 5.487 745 3HB ALA 97 2HB ALA 97 -11.652 6.125 4.053 746 1HB LYS 98 2HB LYS 98 -16.914 3.905 3.687 747 2HB LYS 98 1HB LYS 98 -16.414 2.293 4.181 748 1HG LYS 98 2HG LYS 98 -18.858 2.553 5.393 749 2HG LYS 98 1HG LYS 98 -19.084 3.416 3.871 750 1HD LYS 98 2HD LYS 98 -18.517 1.514 2.592 751 2HD LYS 98 1HD LYS 98 -17.858 0.672 3.996 752 1HE LYS 98 2HE LYS 98 -20.235 0.819 4.951 753 2HE LYS 98 1HE LYS 98 -20.728 1.212 3.304 754 H LYS 98 H LYS 98 -15.900 5.665 5.911 755 HA LYS 98 HA LYS 98 -17.494 4.089 6.291 756 1HZ LYS 98 3HZ LYS 98 -19.031 -1.054 3.313 757 2HZ LYS 98 2HZ LYS 98 -20.327 -1.303 4.372 758 3HZ LYS 98 1HZ LYS 98 -20.622 -0.915 2.752 No H/Q in entry = 758
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