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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
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4659 |
1fgp ![]() ![]() |
cing | recoord | dress | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLU 1 2H GLU 1 12.856 -9.134 -2.275 2 2H GLU 1 1H GLU 1 12.043 -7.987 -3.230 3 3H GLU 1 3H GLU 1 13.588 -7.640 -2.621 4 HA GLU 1 HA GLU 1 12.828 -7.027 -0.622 5 1HB GLU 1 2HB GLU 1 11.431 -5.696 -2.097 6 2HB GLU 1 1HB GLU 1 10.282 -7.023 -2.262 7 1HG GLU 1 2HG GLU 1 9.374 -5.491 -0.635 8 2HG GLU 1 1HG GLU 1 9.933 -6.919 0.238 9 H THR 2 H THR 2 11.671 -7.611 1.315 10 HA THR 2 HA THR 2 11.022 -10.474 1.430 11 HB THR 2 HB THR 2 10.680 -8.595 3.741 12 HG1 THR 2 HG1 THR 2 13.192 -9.680 3.155 13 1HG2 THR 2 2HG2 THR 2 10.888 -11.441 3.274 14 2HG2 THR 2 1HG2 THR 2 12.145 -10.910 4.393 15 3HG2 THR 2 3HG2 THR 2 10.449 -10.587 4.755 16 H VAL 3 H VAL 3 9.028 -10.550 0.228 17 HA VAL 3 HA VAL 3 6.818 -8.873 0.528 18 HB VAL 3 HB VAL 3 7.105 -10.918 -1.015 19 1HG1 VAL 3 1HG1 VAL 3 7.439 -12.453 1.026 20 2HG1 VAL 3 3HG1 VAL 3 5.693 -12.343 1.245 21 3HG1 VAL 3 2HG1 VAL 3 6.353 -13.035 -0.237 22 1HG2 VAL 3 1HG2 VAL 3 4.678 -9.831 0.276 23 2HG2 VAL 3 3HG2 VAL 3 5.067 -9.995 -1.437 24 3HG2 VAL 3 2HG2 VAL 3 4.453 -11.381 -0.536 25 H GLU 4 H GLU 4 8.081 -11.203 2.804 26 HA GLU 4 HA GLU 4 5.722 -11.479 4.422 27 1HB GLU 4 2HB GLU 4 7.946 -12.835 4.489 28 2HB GLU 4 1HB GLU 4 8.513 -11.549 5.556 29 1HG GLU 4 2HG GLU 4 6.960 -12.061 7.219 30 2HG GLU 4 1HG GLU 4 5.853 -12.839 6.086 31 H SER 5 H SER 5 8.486 -9.225 4.587 32 HA SER 5 HA SER 5 7.365 -7.803 6.873 33 1HB SER 5 2HB SER 5 9.474 -6.736 4.990 34 2HB SER 5 1HB SER 5 9.256 -6.375 6.701 35 HG SER 5 HG SER 5 10.927 -8.018 5.918 36 H CYS 6 H CYS 6 7.687 -7.129 3.382 37 HA CYS 6 HA CYS 6 6.472 -4.601 3.290 38 1HB CYS 6 2HB CYS 6 6.855 -6.838 1.426 39 2HB CYS 6 1HB CYS 6 5.414 -5.884 1.076 40 H LEU 7 H LEU 7 5.081 -7.735 3.912 41 HA LEU 7 HA LEU 7 2.332 -6.637 3.770 42 1HB LEU 7 2HB LEU 7 3.304 -9.443 4.380 43 2HB LEU 7 1HB LEU 7 1.624 -8.962 4.127 44 HG LEU 7 HG LEU 7 3.781 -8.499 2.058 45 1HD1 LEU 7 3HD1 LEU 7 2.207 -10.936 2.720 46 2HD1 LEU 7 2HD1 LEU 7 2.320 -10.511 1.012 47 3HD1 LEU 7 1HD1 LEU 7 3.786 -10.792 1.949 48 1HD2 LEU 7 1HD2 LEU 7 1.036 -7.737 2.364 49 2HD2 LEU 7 3HD2 LEU 7 2.125 -7.387 1.023 50 3HD2 LEU 7 2HD2 LEU 7 1.156 -8.860 1.009 51 H ALA 8 H ALA 8 4.789 -7.601 6.034 52 HA ALA 8 HA ALA 8 3.128 -7.770 8.387 53 1HB ALA 8 2HB ALA 8 5.671 -8.428 7.992 54 2HB ALA 8 1HB ALA 8 5.955 -6.774 8.532 55 3HB ALA 8 3HB ALA 8 5.121 -7.914 9.587 56 H LYS 9 H LYS 9 4.047 -5.252 6.359 57 HA LYS 9 HA LYS 9 4.401 -2.956 7.857 58 1HB LYS 9 2HB LYS 9 2.865 -3.573 5.323 59 2HB LYS 9 1HB LYS 9 3.101 -1.922 5.870 60 1HG LYS 9 2HG LYS 9 5.574 -2.365 5.942 61 2HG LYS 9 1HG LYS 9 5.251 -3.939 5.211 62 1HD LYS 9 2HD LYS 9 4.890 -3.047 3.159 63 2HD LYS 9 1HD LYS 9 3.981 -1.685 3.810 64 1HE LYS 9 2HE LYS 9 6.985 -1.985 3.630 65 2HE LYS 9 1HE LYS 9 5.977 -0.756 2.865 66 1HZ LYS 9 1HZ LYS 9 5.317 -0.292 5.341 67 2HZ LYS 9 3HZ LYS 9 6.827 -0.995 5.659 68 3HZ LYS 9 2HZ LYS 9 6.725 0.384 4.673 69 HA PRO 10 HA PRO 10 0.616 -2.129 9.974 70 1HB PRO 10 2HB PRO 10 -0.160 0.409 9.213 71 2HB PRO 10 1HB PRO 10 1.163 0.066 10.343 72 1HG PRO 10 2HG PRO 10 1.303 0.936 7.496 73 2HG PRO 10 1HG PRO 10 2.475 1.176 8.802 74 1HD PRO 10 2HD PRO 10 2.669 -0.732 6.746 75 2HD PRO 10 1HD PRO 10 3.635 -0.726 8.234 76 H HIS 11 H HIS 11 0.589 -2.490 6.693 77 HA HIS 11 HA HIS 11 -1.017 -3.291 5.247 78 1HB HIS 11 2HB HIS 11 -2.280 -3.620 7.881 79 2HB HIS 11 1HB HIS 11 -3.388 -3.570 6.508 80 HD1 HIS 11 HD1 HIS 11 -3.796 -5.842 5.590 81 HD2 HIS 11 HD2 HIS 11 0.085 -5.482 7.069 82 HE1 HIS 11 HE1 HIS 11 -2.671 -8.077 5.198 83 H THR 12 H THR 12 -0.966 -1.170 4.173 84 HA THR 12 HA THR 12 -2.316 0.284 2.954 85 HB THR 12 HB THR 12 -4.137 -1.345 4.131 86 HG1 THR 12 HG1 THR 12 -5.300 -0.786 2.485 87 1HG2 THR 12 2HG2 THR 12 -4.790 1.490 4.933 88 2HG2 THR 12 1HG2 THR 12 -6.011 0.227 4.814 89 3HG2 THR 12 3HG2 THR 12 -4.705 0.079 5.981 90 H GLU 13 H GLU 13 -3.115 0.864 6.418 91 HA GLU 13 HA GLU 13 -3.526 3.582 6.203 92 1HB GLU 13 2HB GLU 13 -3.572 2.185 8.344 93 2HB GLU 13 1HB GLU 13 -1.826 2.436 8.439 94 1HG GLU 13 2HG GLU 13 -2.648 4.988 8.008 95 2HG GLU 13 1HG GLU 13 -4.040 4.359 8.892 96 H ASN 14 H ASN 14 -2.330 4.665 4.724 97 HA ASN 14 HA ASN 14 0.062 5.952 5.368 98 1HB ASN 14 2HB ASN 14 0.595 3.248 4.814 99 2HB ASN 14 1HB ASN 14 1.026 4.101 3.331 100 1HD2 ASN 14 2HD2 ASN 14 2.924 5.542 6.681 101 2HD2 ASN 14 1HD2 ASN 14 1.246 5.288 6.719 102 H SER 15 H SER 15 1.209 5.726 2.607 103 HA SER 15 HA SER 15 -0.794 6.075 0.641 104 1HB SER 15 2HB SER 15 -0.654 8.614 0.470 105 2HB SER 15 1HB SER 15 -1.585 7.997 1.832 106 HG SER 15 HG SER 15 1.126 8.854 1.860 107 H PHE 16 H PHE 16 0.209 7.838 -1.076 108 HA PHE 16 HA PHE 16 3.068 7.963 -1.204 109 1HB PHE 16 2HB PHE 16 2.640 5.474 -1.515 110 2HB PHE 16 1HB PHE 16 1.821 5.885 -3.022 111 HD1 PHE 16 HD2 PHE 16 3.051 6.912 -4.884 112 HD2 PHE 16 HD1 PHE 16 5.048 5.637 -1.307 113 HE1 PHE 16 HE2 PHE 16 5.227 7.051 -6.055 114 HE2 PHE 16 HE1 PHE 16 7.232 5.770 -2.478 115 HZ PHE 16 HZ PHE 16 7.323 6.477 -4.855 116 H THR 17 H THR 17 3.731 8.901 -3.360 117 HA THR 17 HA THR 17 1.367 10.136 -4.710 118 HB THR 17 HB THR 17 2.348 12.041 -3.941 119 HG1 THR 17 HG1 THR 17 2.685 12.108 -6.189 120 1HG2 THR 17 1HG2 THR 17 4.002 10.753 -2.595 121 2HG2 THR 17 3HG2 THR 17 5.050 10.662 -4.011 122 3HG2 THR 17 2HG2 THR 17 4.694 12.226 -3.277 123 H ASN 18 H ASN 18 1.790 10.720 -7.056 124 HA ASN 18 HA ASN 18 2.479 10.063 -9.214 125 1HB ASN 18 2HB ASN 18 4.805 9.990 -7.744 126 2HB ASN 18 1HB ASN 18 4.682 8.323 -8.308 127 1HD2 ASN 18 2HD2 ASN 18 5.835 9.208 -11.504 128 2HD2 ASN 18 1HD2 ASN 18 5.737 8.045 -10.273 129 H VAL 19 H VAL 19 0.985 8.403 -7.055 130 HA VAL 19 HA VAL 19 1.273 5.666 -7.315 131 HB VAL 19 HB VAL 19 -1.348 7.191 -7.352 132 1HG1 VAL 19 3HG1 VAL 19 -1.438 4.716 -7.841 133 2HG1 VAL 19 2HG1 VAL 19 -0.701 4.433 -6.264 134 3HG1 VAL 19 1HG1 VAL 19 -2.292 5.187 -6.371 135 1HG2 VAL 19 2HG2 VAL 19 0.645 7.434 -5.488 136 2HG2 VAL 19 1HG2 VAL 19 -1.070 7.631 -5.130 137 3HG2 VAL 19 3HG2 VAL 19 -0.277 6.086 -4.825 138 H TRP 20 H TRP 20 0.238 4.090 -8.692 139 HA TRP 20 HA TRP 20 -0.563 5.130 -11.369 140 1HB TRP 20 2HB TRP 20 0.965 3.835 -12.485 141 2HB TRP 20 1HB TRP 20 1.850 3.923 -10.967 142 HD1 TRP 20 HD1 TRP 20 -0.210 1.562 -13.120 143 HE1 TRP 20 HE1 TRP 20 -0.013 -0.832 -12.195 144 HE3 TRP 20 HE3 TRP 20 2.304 2.507 -8.777 145 HZ2 TRP 20 HZ2 TRP 20 1.096 -2.175 -9.924 146 HZ3 TRP 20 HZ3 TRP 20 2.926 0.652 -7.259 147 HH2 TRP 20 HH2 TRP 20 2.326 -1.686 -7.826 148 H LYS 21 H LYS 21 -1.395 2.873 -12.573 149 HA LYS 21 HA LYS 21 -3.028 1.307 -10.680 150 1HB LYS 21 2HB LYS 21 -4.399 3.333 -11.317 151 2HB LYS 21 1HB LYS 21 -4.332 2.771 -12.990 152 1HG LYS 21 2HG LYS 21 -5.086 0.482 -11.733 153 2HG LYS 21 1HG LYS 21 -5.857 1.684 -10.696 154 1HD LYS 21 2HD LYS 21 -7.523 1.571 -12.255 155 2HD LYS 21 1HD LYS 21 -6.484 2.691 -13.139 156 1HE LYS 21 2HE LYS 21 -5.891 -0.207 -13.456 157 2HE LYS 21 1HE LYS 21 -7.367 0.386 -14.218 158 1HZ LYS 21 3HZ LYS 21 -4.691 1.622 -14.564 159 2HZ LYS 21 2HZ LYS 21 -5.388 0.528 -15.660 160 3HZ LYS 21 1HZ LYS 21 -6.116 2.038 -15.384 161 H ASP 22 H ASP 22 -2.530 -0.729 -11.311 162 HA ASP 22 HA ASP 22 -1.799 -1.233 -14.112 163 1HB ASP 22 2HB ASP 22 -1.009 -2.306 -11.655 164 2HB ASP 22 1HB ASP 22 -1.970 -3.581 -12.401 165 H ASP 23 H ASP 23 -3.143 -2.109 -15.570 166 HA ASP 23 HA ASP 23 -5.906 -2.740 -14.843 167 1HB ASP 23 2HB ASP 23 -4.863 -1.766 -17.112 168 2HB ASP 23 1HB ASP 23 -4.750 -3.482 -17.505 169 H LYS 24 H LYS 24 -2.890 -4.348 -15.159 170 HA LYS 24 HA LYS 24 -3.941 -7.042 -15.558 171 1HB LYS 24 2HB LYS 24 -1.360 -5.721 -15.416 172 2HB LYS 24 1HB LYS 24 -1.374 -7.155 -14.390 173 1HG LYS 24 2HG LYS 24 -0.718 -7.981 -16.511 174 2HG LYS 24 1HG LYS 24 -2.438 -8.365 -16.413 175 1HD LYS 24 2HD LYS 24 -1.917 -5.683 -17.482 176 2HD LYS 24 1HD LYS 24 -1.233 -6.971 -18.475 177 1HE LYS 24 2HE LYS 24 -3.324 -7.965 -18.853 178 2HE LYS 24 1HE LYS 24 -4.054 -7.188 -17.448 179 1HZ LYS 24 2HZ LYS 24 -3.012 -5.483 -19.586 180 2HZ LYS 24 1HZ LYS 24 -4.474 -6.303 -19.865 181 3HZ LYS 24 3HZ LYS 24 -4.337 -5.237 -18.552 182 H THR 25 H THR 25 -2.304 -5.348 -12.882 183 HA THR 25 HA THR 25 -2.904 -7.295 -10.879 184 HB THR 25 HB THR 25 -2.295 -5.577 -9.281 185 HG1 THR 25 HG1 THR 25 -2.037 -3.383 -10.222 186 1HG2 THR 25 2HG2 THR 25 -0.520 -6.447 -10.871 187 2HG2 THR 25 1HG2 THR 25 -0.738 -4.964 -11.800 188 3HG2 THR 25 3HG2 THR 25 -0.163 -4.884 -10.135 189 H LEU 26 H LEU 26 -4.674 -4.668 -12.317 190 HA LEU 26 HA LEU 26 -6.973 -4.187 -12.251 191 1HB LEU 26 2HB LEU 26 -6.753 -6.918 -11.415 192 2HB LEU 26 1HB LEU 26 -7.955 -6.118 -10.400 193 HG LEU 26 HG LEU 26 -7.906 -6.215 -13.430 194 1HD1 LEU 26 1HD1 LEU 26 -9.349 -7.636 -11.284 195 2HD1 LEU 26 3HD1 LEU 26 -10.384 -7.008 -12.566 196 3HD1 LEU 26 2HD1 LEU 26 -9.066 -8.112 -12.958 197 1HD2 LEU 26 3HD2 LEU 26 -9.441 -4.507 -11.483 198 2HD2 LEU 26 2HD2 LEU 26 -8.696 -4.047 -13.014 199 3HD2 LEU 26 1HD2 LEU 26 -10.188 -4.987 -13.006 200 H ASP 27 H ASP 27 -5.602 -2.516 -10.697 201 HA ASP 27 HA ASP 27 -7.389 -1.711 -8.667 202 1HB ASP 27 2HB ASP 27 -5.988 -4.023 -7.891 203 2HB ASP 27 1HB ASP 27 -5.227 -2.695 -7.017 204 H ARG 28 H ARG 28 -6.188 -0.275 -6.920 205 HA ARG 28 HA ARG 28 -4.290 1.411 -8.432 206 1HB ARG 28 2HB ARG 28 -6.310 2.022 -6.678 207 2HB ARG 28 1HB ARG 28 -4.898 2.104 -5.623 208 1HG ARG 28 2HG ARG 28 -4.485 4.153 -6.466 209 2HG ARG 28 1HG ARG 28 -4.111 3.372 -8.003 210 1HD ARG 28 2HD ARG 28 -6.088 3.985 -8.943 211 2HD ARG 28 1HD ARG 28 -6.993 3.692 -7.458 212 HE ARG 28 HE ARG 28 -5.441 5.992 -6.988 213 1HH1 ARG 28 1HH2 ARG 28 -6.084 6.438 -9.914 214 2HH1 ARG 28 2HH2 ARG 28 -7.566 7.329 -9.812 215 1HH2 ARG 28 2HH1 ARG 28 -8.145 6.495 -6.495 216 2HH2 ARG 28 1HH1 ARG 28 -8.732 7.364 -7.873 217 H TYR 29 H TYR 29 -2.126 1.809 -7.668 218 HA TYR 29 HA TYR 29 -1.230 0.273 -5.314 219 1HB TYR 29 2HB TYR 29 -0.178 -0.249 -8.106 220 2HB TYR 29 1HB TYR 29 0.538 -0.883 -6.627 221 HD1 TYR 29 HD2 TYR 29 -0.671 -2.547 -5.249 222 HD2 TYR 29 HD1 TYR 29 -2.275 -1.111 -8.967 223 HE1 TYR 29 HE2 TYR 29 -2.286 -4.427 -5.279 224 HE2 TYR 29 HE1 TYR 29 -3.891 -2.991 -8.995 225 HH TYR 29 HH TYR 29 -4.440 -4.981 -6.266 226 H ALA 30 H ALA 30 0.697 1.039 -4.445 227 HA ALA 30 HA ALA 30 1.855 3.451 -5.790 228 1HB ALA 30 3HB ALA 30 1.278 2.869 -2.886 229 2HB ALA 30 2HB ALA 30 2.488 4.067 -3.348 230 3HB ALA 30 1HB ALA 30 0.807 4.276 -3.837 231 H ASN 31 H ASN 31 3.904 3.026 -6.476 232 HA ASN 31 HA ASN 31 5.358 0.693 -5.521 233 1HB ASN 31 2HB ASN 31 5.512 1.538 -7.865 234 2HB ASN 31 1HB ASN 31 6.342 2.971 -7.261 235 1HD2 ASN 31 2HD2 ASN 31 8.643 -0.052 -8.154 236 2HD2 ASN 31 1HD2 ASN 31 7.184 0.389 -8.901 237 H TYR 32 H TYR 32 5.854 0.980 -3.321 238 HA TYR 32 HA TYR 32 7.221 3.448 -2.469 239 1HB TYR 32 2HB TYR 32 5.502 1.923 -1.127 240 2HB TYR 32 1HB TYR 32 6.975 1.055 -0.692 241 HD1 TYR 32 HD2 TYR 32 8.968 3.224 -0.615 242 HD2 TYR 32 HD1 TYR 32 4.916 3.143 0.810 243 HE1 TYR 32 HE2 TYR 32 9.517 4.984 1.043 244 HE2 TYR 32 HE1 TYR 32 5.466 4.903 2.470 245 HH TYR 32 HH TYR 32 8.057 5.604 3.614 246 H GLU 33 H GLU 33 8.779 2.341 -4.359 247 HA GLU 33 HA GLU 33 10.806 1.191 -4.814 248 1HB GLU 33 2HB GLU 33 11.499 2.662 -2.255 249 2HB GLU 33 1HB GLU 33 12.632 2.149 -3.506 250 1HG GLU 33 2HG GLU 33 10.766 3.571 -4.955 251 2HG GLU 33 1HG GLU 33 10.846 4.480 -3.445 252 H GLY 34 H GLY 34 10.457 -1.035 -4.497 253 1HA GLY 34 2HA GLY 34 11.345 -3.015 -3.447 254 2HA GLY 34 1HA GLY 34 11.573 -2.091 -1.961 255 H CYS 35 H CYS 35 8.842 -0.943 -2.078 256 HA CYS 35 HA CYS 35 7.331 -3.424 -1.355 257 1HB CYS 35 2HB CYS 35 8.037 -1.426 0.364 258 2HB CYS 35 1HB CYS 35 6.464 -0.846 -0.182 259 H LEU 36 H LEU 36 4.968 -3.268 -1.695 260 HA LEU 36 HA LEU 36 4.150 -1.183 -3.646 261 1HB LEU 36 2HB LEU 36 4.890 -3.424 -4.737 262 2HB LEU 36 1HB LEU 36 3.378 -4.059 -4.092 263 HG LEU 36 HG LEU 36 3.150 -3.194 -6.420 264 1HD1 LEU 36 1HD1 LEU 36 1.436 -2.908 -4.316 265 2HD1 LEU 36 3HD1 LEU 36 1.556 -1.248 -4.903 266 3HD1 LEU 36 2HD1 LEU 36 1.033 -2.535 -5.989 267 1HD2 LEU 36 3HD2 LEU 36 4.732 -1.107 -5.430 268 2HD2 LEU 36 2HD2 LEU 36 3.961 -1.174 -7.015 269 3HD2 LEU 36 1HD2 LEU 36 3.139 -0.386 -5.668 270 H TRP 37 H TRP 37 2.501 -0.211 -2.594 271 HA TRP 37 HA TRP 37 0.711 -1.808 -0.862 272 1HB TRP 37 2HB TRP 37 0.636 1.185 -1.391 273 2HB TRP 37 1HB TRP 37 -0.133 0.309 -0.074 274 HD1 TRP 37 HD1 TRP 37 3.464 0.830 -1.412 275 HE1 TRP 37 HE1 TRP 37 5.049 0.942 0.617 276 HE3 TRP 37 HE3 TRP 37 0.112 0.026 2.363 277 HZ2 TRP 37 HZ2 TRP 37 4.905 0.721 3.474 278 HZ3 TRP 37 HZ3 TRP 37 0.856 -0.021 4.715 279 HH2 TRP 37 HH2 TRP 37 3.249 0.328 5.281 280 H ASN 38 H ASN 38 -1.751 -1.097 -1.135 281 HA ASN 38 HA ASN 38 -2.412 -0.779 -4.016 282 1HB ASN 38 2HB ASN 38 -2.440 -3.149 -3.813 283 2HB ASN 38 1HB ASN 38 -3.227 -3.081 -2.235 284 1HD2 ASN 38 2HD2 ASN 38 -6.490 -2.457 -3.633 285 2HD2 ASN 38 1HD2 ASN 38 -5.537 -2.164 -2.261 286 H ALA 39 H ALA 39 -3.906 0.773 -4.190 287 HA ALA 39 HA ALA 39 -5.583 1.448 -1.837 288 1HB ALA 39 2HB ALA 39 -4.394 2.941 -4.005 289 2HB ALA 39 1HB ALA 39 -6.139 3.196 -3.992 290 3HB ALA 39 3HB ALA 39 -5.185 3.549 -2.552 291 H THR 40 H THR 40 -7.845 1.406 -1.953 292 HA THR 40 HA THR 40 -8.936 -0.260 -4.167 293 HB THR 40 HB THR 40 -9.616 -1.325 -2.231 294 HG1 THR 40 HG1 THR 40 -11.587 -1.026 -2.924 295 1HG2 THR 40 1HG2 THR 40 -9.492 1.423 -1.026 296 2HG2 THR 40 3HG2 THR 40 -10.411 0.156 -0.213 297 3HG2 THR 40 2HG2 THR 40 -8.684 -0.057 -0.507 298 H GLY 41 H GLY 41 -10.930 1.823 -2.170 299 1HA GLY 41 2HA GLY 41 -11.514 3.451 -4.613 300 2HA GLY 41 1HA GLY 41 -12.765 2.963 -3.470 301 H VAL 42 H VAL 42 -12.478 3.789 -1.192 302 HA VAL 42 HA VAL 42 -12.311 6.580 -1.085 303 HB VAL 42 HB VAL 42 -11.815 4.520 1.076 304 1HG1 VAL 42 1HG1 VAL 42 -11.447 7.427 1.087 305 2HG1 VAL 42 3HG1 VAL 42 -12.601 6.882 2.304 306 3HG1 VAL 42 2HG1 VAL 42 -10.962 6.231 2.290 307 1HG2 VAL 42 1HG2 VAL 42 -14.100 4.946 -0.180 308 2HG2 VAL 42 3HG2 VAL 42 -14.081 4.758 1.574 309 3HG2 VAL 42 2HG2 VAL 42 -14.170 6.369 0.860 310 H VAL 43 H VAL 43 -10.439 7.274 -2.252 311 HA VAL 43 HA VAL 43 -7.957 7.179 -0.616 312 HB VAL 43 HB VAL 43 -8.060 6.605 -3.597 313 1HG1 VAL 43 2HG1 VAL 43 -6.090 7.954 -2.455 314 2HG1 VAL 43 1HG1 VAL 43 -5.615 6.356 -1.879 315 3HG1 VAL 43 3HG1 VAL 43 -5.735 6.670 -3.610 316 1HG2 VAL 43 2HG2 VAL 43 -8.600 4.820 -1.631 317 2HG2 VAL 43 1HG2 VAL 43 -7.764 4.380 -3.118 318 3HG2 VAL 43 3HG2 VAL 43 -6.841 4.711 -1.653 319 H VAL 44 H VAL 44 -7.731 9.334 -0.166 320 HA VAL 44 HA VAL 44 -8.777 11.485 -1.669 321 HB VAL 44 HB VAL 44 -6.302 11.410 0.089 322 1HG1 VAL 44 1HG1 VAL 44 -6.611 13.372 -1.592 323 2HG1 VAL 44 3HG1 VAL 44 -7.955 13.848 -0.553 324 3HG1 VAL 44 2HG1 VAL 44 -6.320 13.767 0.102 325 1HG2 VAL 44 3HG2 VAL 44 -9.242 11.891 0.570 326 2HG2 VAL 44 2HG2 VAL 44 -8.145 10.817 1.439 327 3HG2 VAL 44 1HG2 VAL 44 -8.026 12.564 1.658 328 H CYS 45 H CYS 45 -8.291 11.996 -3.765 329 HA CYS 45 HA CYS 45 -5.466 11.562 -4.638 330 1HB CYS 45 2HB CYS 45 -8.068 10.985 -5.984 331 2HB CYS 45 1HB CYS 45 -6.724 11.505 -6.995 332 H THR 46 H THR 46 -4.490 13.170 -5.845 333 HA THR 46 HA THR 46 -6.047 15.591 -6.536 334 HB THR 46 HB THR 46 -5.136 15.964 -4.242 335 HG1 THR 46 HG1 THR 46 -5.305 17.693 -5.740 336 1HG2 THR 46 1HG2 THR 46 -2.925 14.588 -5.267 337 2HG2 THR 46 3HG2 THR 46 -2.365 16.248 -5.069 338 3HG2 THR 46 2HG2 THR 46 -3.033 15.373 -3.692 339 H GLY 47 H GLY 47 -4.999 16.852 -8.176 340 1HA GLY 47 2HA GLY 47 -3.536 17.234 -9.982 341 2HA GLY 47 1HA GLY 47 -2.377 16.159 -9.197 342 H ASP 48 H ASP 48 -5.633 15.814 -10.655 343 HA ASP 48 HA ASP 48 -6.407 14.239 -12.224 344 1HB ASP 48 2HB ASP 48 -3.582 13.410 -12.791 345 2HB ASP 48 1HB ASP 48 -4.942 13.557 -13.904 346 H GLU 49 H GLU 49 -5.130 13.636 -9.389 347 HA GLU 49 HA GLU 49 -5.282 11.772 -8.000 348 1HB GLU 49 2HB GLU 49 -5.936 10.110 -10.443 349 2HB GLU 49 1HB GLU 49 -6.315 9.756 -8.759 350 1HG GLU 49 2HG GLU 49 -7.966 11.455 -8.652 351 2HG GLU 49 1HG GLU 49 -7.389 12.224 -10.128 352 H THR 50 H THR 50 -2.895 12.650 -9.545 353 HA THR 50 HA THR 50 -1.412 10.183 -10.107 354 HB THR 50 HB THR 50 -0.966 12.407 -11.260 355 HG1 THR 50 HG1 THR 50 1.128 11.152 -9.826 356 1HG2 THR 50 1HG2 THR 50 -1.050 13.502 -8.811 357 2HG2 THR 50 3HG2 THR 50 0.686 13.211 -8.914 358 3HG2 THR 50 2HG2 THR 50 -0.114 14.213 -10.124 359 H GLN 51 H GLN 51 -1.832 12.467 -7.473 360 HA GLN 51 HA GLN 51 -0.087 10.700 -5.794 361 1HB GLN 51 2HB GLN 51 -0.721 13.517 -4.991 362 2HB GLN 51 1HB GLN 51 0.689 12.533 -4.604 363 1HG GLN 51 2HG GLN 51 1.159 12.642 -7.173 364 2HG GLN 51 1HG GLN 51 0.077 14.035 -7.139 365 1HE2 GLN 51 2HE2 GLN 51 2.372 15.726 -4.729 366 2HE2 GLN 51 1HE2 GLN 51 0.743 15.246 -4.710 367 H CYS 52 H CYS 52 -1.103 9.857 -3.972 368 HA CYS 52 HA CYS 52 -3.629 11.083 -3.085 369 1HB CYS 52 2HB CYS 52 -3.626 8.173 -3.912 370 2HB CYS 52 1HB CYS 52 -5.009 9.149 -3.428 371 H TYR 53 H TYR 53 -4.601 9.690 -1.250 372 HA TYR 53 HA TYR 53 -2.598 8.172 0.278 373 1HB TYR 53 2HB TYR 53 -2.012 10.178 1.297 374 2HB TYR 53 1HB TYR 53 -3.593 10.900 1.012 375 HD1 TYR 53 HD2 TYR 53 -5.560 10.161 2.407 376 HD2 TYR 53 HD1 TYR 53 -1.521 9.039 3.351 377 HE1 TYR 53 HE2 TYR 53 -6.265 9.553 4.704 378 HE2 TYR 53 HE1 TYR 53 -2.230 8.425 5.650 379 HH TYR 53 HH TYR 53 -4.144 9.098 7.222 380 H GLY 54 H GLY 54 -3.686 7.291 2.331 381 1HA GLY 54 2HA GLY 54 -6.120 7.087 3.269 382 2HA GLY 54 1HA GLY 54 -6.482 6.525 1.634 383 H THR 55 H THR 55 -6.762 4.328 1.789 384 HA THR 55 HA THR 55 -4.815 2.806 3.482 385 HB THR 55 HB THR 55 -6.474 0.907 3.161 386 HG1 THR 55 HG1 THR 55 -7.425 1.878 1.270 387 1HG2 THR 55 2HG2 THR 55 -7.307 3.498 4.466 388 2HG2 THR 55 1HG2 THR 55 -8.246 2.014 4.629 389 3HG2 THR 55 3HG2 THR 55 -6.587 2.077 5.222 390 H TRP 56 H TRP 56 -3.264 1.782 2.441 391 HA TRP 56 HA TRP 56 -3.661 0.980 -0.403 392 1HB TRP 56 2HB TRP 56 -1.110 1.792 0.978 393 2HB TRP 56 1HB TRP 56 -1.316 1.450 -0.743 394 HD1 TRP 56 HD1 TRP 56 -2.576 3.943 1.911 395 HE1 TRP 56 HE1 TRP 56 -3.107 6.164 0.727 396 HE3 TRP 56 HE3 TRP 56 -1.700 2.568 -2.914 397 HZ2 TRP 56 HZ2 TRP 56 -3.159 7.221 -1.954 398 HZ3 TRP 56 HZ3 TRP 56 -1.996 4.181 -4.766 399 HH2 TRP 56 HH2 TRP 56 -2.723 6.510 -4.295 400 H VAL 57 H VAL 57 -4.430 -1.084 0.849 401 HA VAL 57 HA VAL 57 -2.913 -2.624 2.556 402 HB VAL 57 HB VAL 57 -3.796 -4.640 1.078 403 1HG1 VAL 57 3HG1 VAL 57 -4.675 -3.565 3.285 404 2HG1 VAL 57 2HG1 VAL 57 -5.881 -2.807 2.245 405 3HG1 VAL 57 1HG1 VAL 57 -5.776 -4.566 2.338 406 1HG2 VAL 57 2HG2 VAL 57 -4.333 -2.497 -0.617 407 2HG2 VAL 57 1HG2 VAL 57 -5.053 -4.103 -0.731 408 3HG2 VAL 57 3HG2 VAL 57 -5.891 -2.820 0.143 409 HA PRO 58 HA PRO 58 0.849 -3.421 0.326 410 1HB PRO 58 2HB PRO 58 1.938 -5.111 2.229 411 2HB PRO 58 1HB PRO 58 1.943 -3.343 2.358 412 1HG PRO 58 2HG PRO 58 0.284 -5.322 3.830 413 2HG PRO 58 1HG PRO 58 0.735 -3.667 4.292 414 1HD PRO 58 2HD PRO 58 -1.779 -4.499 3.242 415 2HD PRO 58 1HD PRO 58 -1.229 -2.829 3.460 416 H ILE 59 H ILE 59 1.439 -5.052 -1.149 417 HA ILE 59 HA ILE 59 0.449 -7.800 -0.716 418 HB ILE 59 HB ILE 59 -0.659 -7.773 -2.983 419 1HG1 ILE 59 2HG1 ILE 59 0.578 -5.493 -3.475 420 2HG1 ILE 59 1HG1 ILE 59 -1.022 -5.788 -4.144 421 1HG2 ILE 59 2HG2 ILE 59 -1.793 -5.965 -0.825 422 2HG2 ILE 59 1HG2 ILE 59 -2.729 -6.685 -2.135 423 3HG2 ILE 59 3HG2 ILE 59 -1.978 -7.716 -0.916 424 1HD1 ILE 59 1HD1 ILE 59 -0.526 -4.320 -1.540 425 2HD1 ILE 59 3HD1 ILE 59 -0.778 -3.525 -3.090 426 3HD1 ILE 59 2HD1 ILE 59 -2.062 -4.500 -2.376 427 H GLY 60 H GLY 60 2.260 -5.517 -2.764 428 1HA GLY 60 2HA GLY 60 3.819 -7.897 -3.690 429 2HA GLY 60 1HA GLY 60 3.349 -6.622 -4.811 430 H LEU 61 H LEU 61 5.998 -7.295 -4.525 431 HA LEU 61 HA LEU 61 7.345 -5.568 -2.617 432 1HB LEU 61 2HB LEU 61 8.514 -6.704 -5.169 433 2HB LEU 61 1HB LEU 61 9.367 -6.272 -3.686 434 HG LEU 61 HG LEU 61 7.411 -8.551 -4.074 435 1HD1 LEU 61 2HD1 LEU 61 9.979 -8.615 -4.689 436 2HD1 LEU 61 1HD1 LEU 61 10.178 -8.765 -2.942 437 3HD1 LEU 61 3HD1 LEU 61 9.239 -9.965 -3.830 438 1HD2 LEU 61 2HD2 LEU 61 8.182 -7.046 -1.677 439 2HD2 LEU 61 1HD2 LEU 61 6.869 -8.202 -1.902 440 3HD2 LEU 61 3HD2 LEU 61 8.496 -8.777 -1.536 441 H ALA 62 H ALA 62 6.081 -5.226 -5.875 442 HA ALA 62 HA ALA 62 6.100 -2.415 -5.819 443 1HB ALA 62 3HB ALA 62 8.639 -3.643 -6.852 444 2HB ALA 62 2HB ALA 62 8.063 -2.116 -7.517 445 3HB ALA 62 1HB ALA 62 8.427 -2.246 -5.797 446 H ILE 63 H ILE 63 4.344 -4.386 -6.916 447 HA ILE 63 HA ILE 63 3.462 -3.257 -9.233 448 HB ILE 63 HB ILE 63 5.945 -4.634 -9.795 449 1HG1 ILE 63 2HG1 ILE 63 5.477 -2.372 -10.527 450 2HG1 ILE 63 1HG1 ILE 63 5.613 -3.386 -11.961 451 1HG2 ILE 63 1HG2 ILE 63 3.477 -5.561 -11.272 452 2HG2 ILE 63 3HG2 ILE 63 5.083 -5.610 -12.001 453 3HG2 ILE 63 2HG2 ILE 63 4.745 -6.549 -10.547 454 1HD1 ILE 63 3HD1 ILE 63 2.911 -3.556 -11.247 455 2HD1 ILE 63 2HD1 ILE 63 3.325 -1.860 -10.993 456 3HD1 ILE 63 1HD1 ILE 63 3.582 -2.604 -12.571 457 HA PRO 64 HA PRO 64 1.855 -7.765 -9.283 458 1HB PRO 64 2HB PRO 64 2.287 -9.227 -6.984 459 2HB PRO 64 1HB PRO 64 3.279 -9.336 -8.451 460 1HG PRO 64 2HG PRO 64 3.893 -8.003 -5.861 461 2HG PRO 64 1HG PRO 64 5.001 -8.675 -7.064 462 1HD PRO 64 2HD PRO 64 4.442 -5.953 -6.708 463 2HD PRO 64 1HD PRO 64 5.222 -6.652 -8.137 464 H GLU 65 H GLU 65 -0.245 -8.200 -8.692 465 HA GLU 65 HA GLU 65 -1.591 -6.276 -7.007 466 1HB GLU 65 2HB GLU 65 -3.624 -7.419 -7.649 467 2HB GLU 65 1HB GLU 65 -2.575 -7.374 -9.063 468 1HG GLU 65 2HG GLU 65 -1.963 -9.722 -7.519 469 2HG GLU 65 1HG GLU 65 -3.699 -9.663 -7.827 470 H ASN 66 H ASN 66 -3.574 -7.996 -5.851 471 HA ASN 66 HA ASN 66 -2.111 -8.780 -3.422 472 1HB ASN 66 2HB ASN 66 -4.202 -7.501 -3.212 473 2HB ASN 66 1HB ASN 66 -5.075 -8.784 -4.054 474 1HD2 ASN 66 2HD2 ASN 66 -4.597 -9.118 -0.115 475 2HD2 ASN 66 1HD2 ASN 66 -4.424 -7.668 -0.978 476 H ALA 67 H ALA 67 -3.832 -10.311 -6.084 477 HA ALA 67 HA ALA 67 -4.097 -12.910 -4.917 478 1HB ALA 67 2HB ALA 67 -4.547 -11.700 -7.469 479 2HB ALA 67 1HB ALA 67 -3.588 -13.159 -7.718 480 3HB ALA 67 3HB ALA 67 -5.137 -13.255 -6.882 481 H ALA 68 H ALA 68 -1.339 -11.151 -5.837 482 HA ALA 68 HA ALA 68 0.930 -11.769 -5.676 483 1HB ALA 68 2HB ALA 68 -0.157 -13.551 -4.029 484 2HB ALA 68 1HB ALA 68 0.231 -14.662 -5.342 485 3HB ALA 68 3HB ALA 68 1.511 -13.723 -4.573 486 H ALA 69 H ALA 69 -0.250 -11.503 -8.148 487 HA ALA 69 HA ALA 69 -0.137 -12.215 -10.392 488 1HB ALA 69 2HB ALA 69 2.405 -12.036 -9.260 489 2HB ALA 69 1HB ALA 69 2.416 -13.596 -10.081 490 3HB ALA 69 3HB ALA 69 2.042 -12.127 -10.983 491 H HIS 70 HN HIS 70 -1.829 -13.927 -9.408 492 HA HIS 70 HA HIS 70 -0.730 -16.663 -9.916 493 1HB HIS 70 2HB HIS 70 -2.255 -15.716 -7.771 494 2HB HIS 70 1HB HIS 70 -3.413 -16.583 -8.778 495 HD1 HIS 70 HD1 HIS 70 -2.267 -17.604 -5.974 496 HD2 HIS 70 HD2 HIS 70 -0.999 -18.867 -9.739 497 HE1 HIS 70 HE1 HIS 70 -1.220 -19.888 -5.648 No H/Q in entry = 497 Start of MODEL 2 1 1H GLU 1 2H GLU 1 12.925 -7.651 -0.370 2 2H GLU 1 1H GLU 1 12.260 -6.759 -1.655 3 3H GLU 1 3H GLU 1 13.442 -6.058 -0.661 4 HA GLU 1 HA GLU 1 11.997 -5.533 0.958 5 1HB GLU 1 2HB GLU 1 10.980 -4.570 -1.058 6 2HB GLU 1 1HB GLU 1 10.114 -6.079 -1.356 7 1HG GLU 1 2HG GLU 1 8.673 -4.389 -0.242 8 2HG GLU 1 1HG GLU 1 8.893 -5.830 0.751 9 H THR 2 H THR 2 11.265 -8.588 -0.588 10 HA THR 2 HA THR 2 10.378 -10.557 0.338 11 HB THR 2 HB THR 2 10.333 -9.143 3.004 12 HG1 THR 2 HG1 THR 2 12.513 -10.108 3.136 13 1HG2 THR 2 2HG2 THR 2 10.727 -12.019 2.138 14 2HG2 THR 2 1HG2 THR 2 10.840 -11.450 3.804 15 3HG2 THR 2 3HG2 THR 2 9.306 -11.350 2.940 16 H VAL 3 H VAL 3 8.273 -11.093 0.020 17 HA VAL 3 HA VAL 3 6.193 -9.093 0.190 18 HB VAL 3 HB VAL 3 5.525 -12.014 0.172 19 1HG1 VAL 3 3HG1 VAL 3 3.820 -10.191 -0.049 20 2HG1 VAL 3 2HG1 VAL 3 4.618 -9.679 -1.536 21 3HG1 VAL 3 1HG1 VAL 3 3.866 -11.271 -1.443 22 1HG2 VAL 3 1HG2 VAL 3 7.088 -10.535 -1.946 23 2HG2 VAL 3 3HG2 VAL 3 7.389 -12.140 -1.280 24 3HG2 VAL 3 2HG2 VAL 3 6.028 -11.879 -2.371 25 H GLU 4 H GLU 4 7.485 -11.482 2.377 26 HA GLU 4 HA GLU 4 5.262 -11.660 4.185 27 1HB GLU 4 2HB GLU 4 8.206 -12.199 4.367 28 2HB GLU 4 1HB GLU 4 7.252 -12.161 5.851 29 1HG GLU 4 2HG GLU 4 6.036 -13.702 3.642 30 2HG GLU 4 1HG GLU 4 7.535 -14.380 4.278 31 H SER 5 H SER 5 8.143 -9.552 4.159 32 HA SER 5 HA SER 5 7.251 -8.098 6.525 33 1HB SER 5 2HB SER 5 9.539 -7.888 6.373 34 2HB SER 5 1HB SER 5 9.528 -7.928 4.611 35 HG SER 5 HG SER 5 9.622 -5.839 4.708 36 H CYS 6 H CYS 6 7.341 -7.429 3.025 37 HA CYS 6 HA CYS 6 6.268 -4.820 3.070 38 1HB CYS 6 2HB CYS 6 6.994 -6.381 1.057 39 2HB CYS 6 1HB CYS 6 5.278 -6.787 1.025 40 H LEU 7 H LEU 7 4.774 -7.895 3.730 41 HA LEU 7 HA LEU 7 2.080 -6.662 3.775 42 1HB LEU 7 2HB LEU 7 2.948 -9.521 4.287 43 2HB LEU 7 1HB LEU 7 1.279 -8.954 4.189 44 HG LEU 7 HG LEU 7 3.265 -8.573 1.939 45 1HD1 LEU 7 3HD1 LEU 7 1.461 -10.890 2.606 46 2HD1 LEU 7 2HD1 LEU 7 1.819 -10.501 0.924 47 3HD1 LEU 7 1HD1 LEU 7 3.128 -10.915 2.031 48 1HD2 LEU 7 2HD2 LEU 7 0.732 -7.510 2.452 49 2HD2 LEU 7 1HD2 LEU 7 1.553 -7.533 0.892 50 3HD2 LEU 7 3HD2 LEU 7 0.425 -8.822 1.314 51 H ALA 8 H ALA 8 4.643 -7.737 5.875 52 HA ALA 8 HA ALA 8 3.124 -7.852 8.324 53 1HB ALA 8 3HB ALA 8 5.769 -8.336 7.613 54 2HB ALA 8 2HB ALA 8 5.879 -6.891 8.620 55 3HB ALA 8 1HB ALA 8 5.131 -8.356 9.257 56 H LYS 9 H LYS 9 4.013 -5.367 6.230 57 HA LYS 9 HA LYS 9 4.494 -3.076 7.711 58 1HB LYS 9 2HB LYS 9 2.805 -3.624 5.251 59 2HB LYS 9 1HB LYS 9 3.166 -1.992 5.785 60 1HG LYS 9 2HG LYS 9 5.612 -2.584 5.730 61 2HG LYS 9 1HG LYS 9 5.155 -4.121 4.994 62 1HD LYS 9 2HD LYS 9 4.873 -3.168 2.973 63 2HD LYS 9 1HD LYS 9 3.888 -1.873 3.648 64 1HE LYS 9 2HE LYS 9 6.907 -2.002 3.500 65 2HE LYS 9 1HE LYS 9 5.841 -0.831 2.722 66 1HZ LYS 9 3HZ LYS 9 5.123 -0.483 5.232 67 2HZ LYS 9 2HZ LYS 9 6.721 -0.996 5.499 68 3HZ LYS 9 1HZ LYS 9 6.412 0.369 4.534 69 HA PRO 10 HA PRO 10 0.820 -2.191 9.987 70 1HB PRO 10 2HB PRO 10 0.036 0.351 9.260 71 2HB PRO 10 1HB PRO 10 1.407 0.001 10.326 72 1HG PRO 10 2HG PRO 10 1.417 0.857 7.471 73 2HG PRO 10 1HG PRO 10 2.648 1.101 8.722 74 1HD PRO 10 2HD PRO 10 2.743 -0.818 6.674 75 2HD PRO 10 1HD PRO 10 3.771 -0.816 8.119 76 H HIS 11 H HIS 11 0.654 -2.524 6.698 77 HA HIS 11 HA HIS 11 -1.024 -3.335 5.330 78 1HB HIS 11 2HB HIS 11 -2.122 -3.671 8.007 79 2HB HIS 11 1HB HIS 11 -3.369 -3.396 6.784 80 HD1 HIS 11 HD1 HIS 11 -0.114 -5.418 6.842 81 HD2 HIS 11 HD2 HIS 11 -4.115 -5.830 5.743 82 HE1 HIS 11 HE1 HIS 11 -0.363 -7.760 5.911 83 H THR 12 H THR 12 -0.912 -1.233 4.231 84 HA THR 12 HA THR 12 -2.232 0.270 3.036 85 HB THR 12 HB THR 12 -4.096 -1.252 4.309 86 HG1 THR 12 HG1 THR 12 -5.389 -0.560 2.753 87 1HG2 THR 12 3HG2 THR 12 -4.589 1.637 5.032 88 2HG2 THR 12 2HG2 THR 12 -5.862 0.419 5.008 89 3HG2 THR 12 1HG2 THR 12 -4.520 0.263 6.130 90 H GLU 13 H GLU 13 -2.874 0.916 6.531 91 HA GLU 13 HA GLU 13 -3.108 3.660 6.296 92 1HB GLU 13 2HB GLU 13 -3.040 2.139 8.454 93 2HB GLU 13 1HB GLU 13 -1.343 2.621 8.505 94 1HG GLU 13 2HG GLU 13 -1.837 4.772 9.070 95 2HG GLU 13 1HG GLU 13 -3.236 4.834 7.997 96 H ASN 14 H ASN 14 -1.909 4.670 4.808 97 HA ASN 14 HA ASN 14 0.607 5.750 5.314 98 1HB ASN 14 2HB ASN 14 0.738 2.971 4.405 99 2HB ASN 14 1HB ASN 14 1.593 4.057 3.312 100 1HD2 ASN 14 2HD2 ASN 14 4.142 3.277 5.811 101 2HD2 ASN 14 1HD2 ASN 14 3.414 2.570 4.451 102 H SER 15 H SER 15 1.647 5.692 2.598 103 HA SER 15 HA SER 15 -0.407 6.033 0.665 104 1HB SER 15 2HB SER 15 -1.259 7.896 1.821 105 2HB SER 15 1HB SER 15 0.338 8.453 2.300 106 HG SER 15 HG SER 15 0.439 9.534 0.510 107 H PHE 16 H PHE 16 0.453 7.556 -1.179 108 HA PHE 16 HA PHE 16 3.323 7.938 -1.304 109 1HB PHE 16 2HB PHE 16 3.157 5.462 -1.552 110 2HB PHE 16 1HB PHE 16 2.117 5.699 -2.958 111 HD1 PHE 16 HD1 PHE 16 5.493 6.564 -1.596 112 HD2 PHE 16 HD2 PHE 16 3.038 6.060 -5.078 113 HE1 PHE 16 HE1 PHE 16 7.484 6.866 -3.043 114 HE2 PHE 16 HE2 PHE 16 5.019 6.367 -6.524 115 HZ PHE 16 HZ PHE 16 7.250 6.766 -5.511 116 H THR 17 H THR 17 3.899 8.607 -3.691 117 HA THR 17 HA THR 17 1.466 9.853 -4.887 118 HB THR 17 HB THR 17 2.473 11.811 -4.386 119 HG1 THR 17 HG1 THR 17 3.057 12.304 -6.326 120 1HG2 THR 17 1HG2 THR 17 4.962 10.137 -4.065 121 2HG2 THR 17 3HG2 THR 17 5.030 11.899 -4.002 122 3HG2 THR 17 2HG2 THR 17 4.056 11.011 -2.830 123 H ASN 18 H ASN 18 2.198 10.655 -7.310 124 HA ASN 18 HA ASN 18 2.605 9.827 -9.477 125 1HB ASN 18 2HB ASN 18 4.838 8.680 -7.831 126 2HB ASN 18 1HB ASN 18 4.602 8.071 -9.470 127 1HD2 ASN 18 2HD2 ASN 18 6.814 11.182 -9.427 128 2HD2 ASN 18 1HD2 ASN 18 6.855 9.771 -8.484 129 H VAL 19 H VAL 19 0.940 8.413 -7.325 130 HA VAL 19 HA VAL 19 0.868 5.677 -7.404 131 HB VAL 19 HB VAL 19 -1.580 7.391 -7.870 132 1HG1 VAL 19 1HG1 VAL 19 -1.030 4.684 -6.667 133 2HG1 VAL 19 3HG1 VAL 19 -2.455 5.605 -6.186 134 3HG1 VAL 19 2HG1 VAL 19 -2.237 5.133 -7.871 135 1HG2 VAL 19 1HG2 VAL 19 0.143 6.988 -5.424 136 2HG2 VAL 19 3HG2 VAL 19 -0.451 8.499 -6.111 137 3HG2 VAL 19 2HG2 VAL 19 -1.562 7.412 -5.284 138 H TRP 20 H TRP 20 -0.135 4.097 -8.755 139 HA TRP 20 HA TRP 20 -0.776 4.959 -11.527 140 1HB TRP 20 2HB TRP 20 0.829 3.663 -12.522 141 2HB TRP 20 1HB TRP 20 1.656 3.854 -10.981 142 HD1 TRP 20 HD1 TRP 20 -0.573 1.363 -12.884 143 HE1 TRP 20 HE1 TRP 20 -0.197 -0.990 -11.913 144 HE3 TRP 20 HE3 TRP 20 2.519 2.511 -8.981 145 HZ2 TRP 20 HZ2 TRP 20 1.250 -2.230 -9.779 146 HZ3 TRP 20 HZ3 TRP 20 3.383 0.722 -7.501 147 HH2 TRP 20 HH2 TRP 20 2.755 -1.644 -7.894 148 H LYS 21 H LYS 21 -1.699 2.818 -12.690 149 HA LYS 21 HA LYS 21 -3.243 1.200 -10.744 150 1HB LYS 21 2HB LYS 21 -4.722 3.097 -11.292 151 2HB LYS 21 1HB LYS 21 -4.532 2.749 -13.012 152 1HG LYS 21 2HG LYS 21 -5.241 0.304 -11.782 153 2HG LYS 21 1HG LYS 21 -6.327 1.524 -11.117 154 1HD LYS 21 2HD LYS 21 -7.529 1.214 -13.017 155 2HD LYS 21 1HD LYS 21 -6.280 2.193 -13.788 156 1HE LYS 21 2HE LYS 21 -5.486 -0.609 -13.498 157 2HE LYS 21 1HE LYS 21 -6.943 -0.417 -14.474 158 1HZ LYS 21 3HZ LYS 21 -4.792 1.460 -15.007 159 2HZ LYS 21 2HZ LYS 21 -4.488 -0.153 -15.446 160 3HZ LYS 21 1HZ LYS 21 -5.833 0.667 -16.084 161 H ASP 22 H ASP 22 -2.771 -0.856 -11.348 162 HA ASP 22 HA ASP 22 -2.122 -1.399 -14.172 163 1HB ASP 22 2HB ASP 22 -1.410 -2.528 -11.599 164 2HB ASP 22 1HB ASP 22 -2.015 -3.779 -12.681 165 H ASP 23 H ASP 23 -3.523 -2.379 -15.521 166 HA ASP 23 HA ASP 23 -6.218 -3.051 -14.601 167 1HB ASP 23 2HB ASP 23 -5.822 -2.038 -16.841 168 2HB ASP 23 1HB ASP 23 -4.896 -3.464 -17.307 169 H LYS 24 H LYS 24 -3.197 -4.613 -15.081 170 HA LYS 24 HA LYS 24 -4.224 -7.330 -15.344 171 1HB LYS 24 2HB LYS 24 -1.592 -5.971 -15.118 172 2HB LYS 24 1HB LYS 24 -1.659 -7.614 -14.476 173 1HG LYS 24 2HG LYS 24 -1.026 -7.596 -16.880 174 2HG LYS 24 1HG LYS 24 -2.552 -8.440 -16.611 175 1HD LYS 24 2HD LYS 24 -3.761 -6.318 -17.184 176 2HD LYS 24 1HD LYS 24 -2.207 -5.596 -17.601 177 1HE LYS 24 2HE LYS 24 -3.045 -6.387 -19.668 178 2HE LYS 24 1HE LYS 24 -1.895 -7.627 -19.165 179 1HZ LYS 24 1HZ LYS 24 -4.363 -8.232 -18.017 180 2HZ LYS 24 3HZ LYS 24 -4.644 -7.895 -19.657 181 3HZ LYS 24 2HZ LYS 24 -3.526 -9.097 -19.216 182 H THR 25 H THR 25 -2.479 -5.538 -12.804 183 HA THR 25 HA THR 25 -2.927 -7.440 -10.719 184 HB THR 25 HB THR 25 -2.480 -5.493 -9.191 185 HG1 THR 25 HG1 THR 25 -3.523 -4.084 -10.939 186 1HG2 THR 25 1HG2 THR 25 -0.728 -6.818 -10.697 187 2HG2 THR 25 3HG2 THR 25 -0.515 -5.224 -11.423 188 3HG2 THR 25 2HG2 THR 25 -0.229 -5.453 -9.698 189 H LEU 26 H LEU 26 -4.821 -4.873 -12.123 190 HA LEU 26 HA LEU 26 -7.125 -4.443 -11.955 191 1HB LEU 26 2HB LEU 26 -6.812 -7.151 -11.136 192 2HB LEU 26 1HB LEU 26 -7.922 -6.384 -10.001 193 HG LEU 26 HG LEU 26 -8.166 -6.422 -13.022 194 1HD1 LEU 26 3HD1 LEU 26 -9.678 -7.714 -10.748 195 2HD1 LEU 26 2HD1 LEU 26 -10.403 -7.504 -12.342 196 3HD1 LEU 26 1HD1 LEU 26 -8.951 -8.489 -12.155 197 1HD2 LEU 26 3HD2 LEU 26 -9.425 -4.745 -10.904 198 2HD2 LEU 26 2HD2 LEU 26 -9.094 -4.359 -12.593 199 3HD2 LEU 26 1HD2 LEU 26 -10.488 -5.355 -12.172 200 H ASP 27 H ASP 27 -5.787 -2.675 -10.547 201 HA ASP 27 HA ASP 27 -7.439 -1.880 -8.417 202 1HB ASP 27 2HB ASP 27 -5.818 -4.126 -7.718 203 2HB ASP 27 1HB ASP 27 -5.252 -2.729 -6.802 204 H ARG 28 H ARG 28 -6.292 -0.277 -6.868 205 HA ARG 28 HA ARG 28 -4.441 1.347 -8.472 206 1HB ARG 28 2HB ARG 28 -6.326 2.124 -6.779 207 2HB ARG 28 1HB ARG 28 -5.050 1.898 -5.582 208 1HG ARG 28 2HG ARG 28 -4.694 4.116 -6.185 209 2HG ARG 28 1HG ARG 28 -3.609 3.288 -7.303 210 1HD ARG 28 2HD ARG 28 -5.170 3.463 -9.101 211 2HD ARG 28 1HD ARG 28 -6.473 3.946 -8.015 212 HE ARG 28 HE ARG 28 -4.520 5.911 -7.700 213 1HH1 ARG 28 1HH2 ARG 28 -7.267 5.365 -9.453 214 2HH1 ARG 28 2HH2 ARG 28 -6.888 6.433 -10.763 215 1HH2 ARG 28 1HH1 ARG 28 -4.820 7.325 -10.930 216 2HH2 ARG 28 2HH1 ARG 28 -3.612 6.943 -9.749 217 H TYR 29 H TYR 29 -2.220 1.792 -7.769 218 HA TYR 29 HA TYR 29 -1.214 0.128 -5.548 219 1HB TYR 29 2HB TYR 29 -0.414 -0.251 -8.438 220 2HB TYR 29 1HB TYR 29 0.553 -0.847 -7.094 221 HD1 TYR 29 HD2 TYR 29 -0.609 -2.378 -5.361 222 HD2 TYR 29 HD1 TYR 29 -2.258 -1.488 -9.228 223 HE1 TYR 29 HE2 TYR 29 -2.082 -4.368 -5.192 224 HE2 TYR 29 HE1 TYR 29 -3.730 -3.475 -9.057 225 HH TYR 29 HH TYR 29 -4.096 -5.248 -6.107 226 H ALA 30 H ALA 30 0.709 0.857 -4.685 227 HA ALA 30 HA ALA 30 1.862 3.318 -5.945 228 1HB ALA 30 1HB ALA 30 0.756 2.900 -3.297 229 2HB ALA 30 3HB ALA 30 2.453 3.367 -3.191 230 3HB ALA 30 2HB ALA 30 1.306 4.400 -4.045 231 H ASN 31 H ASN 31 3.920 2.903 -6.613 232 HA ASN 31 HA ASN 31 5.372 0.571 -5.607 233 1HB ASN 31 2HB ASN 31 7.209 1.533 -7.127 234 2HB ASN 31 1HB ASN 31 5.708 1.049 -7.918 235 1HD2 ASN 31 2HD2 ASN 31 4.883 4.328 -8.944 236 2HD2 ASN 31 1HD2 ASN 31 4.415 2.697 -8.892 237 H TYR 32 H TYR 32 5.774 1.032 -3.389 238 HA TYR 32 HA TYR 32 7.158 3.525 -2.673 239 1HB TYR 32 2HB TYR 32 5.517 2.606 -1.108 240 2HB TYR 32 1HB TYR 32 6.422 1.094 -1.017 241 HD1 TYR 32 HD1 TYR 32 7.396 4.721 -0.920 242 HD2 TYR 32 HD2 TYR 32 7.530 0.892 1.017 243 HE1 TYR 32 HE1 TYR 32 8.829 5.676 0.867 244 HE2 TYR 32 HE2 TYR 32 8.962 1.844 2.803 245 HH TYR 32 HH TYR 32 9.456 5.226 3.156 246 H GLU 33 H GLU 33 8.773 2.394 -4.458 247 HA GLU 33 HA GLU 33 10.813 1.236 -4.833 248 1HB GLU 33 2HB GLU 33 11.534 2.682 -2.277 249 2HB GLU 33 1HB GLU 33 12.584 2.317 -3.647 250 1HG GLU 33 2HG GLU 33 10.168 3.855 -4.347 251 2HG GLU 33 1HG GLU 33 11.291 4.707 -3.285 252 H GLY 34 H GLY 34 10.385 -0.981 -4.430 253 1HA GLY 34 2HA GLY 34 11.341 -2.900 -3.292 254 2HA GLY 34 1HA GLY 34 11.449 -1.935 -1.822 255 H CYS 35 H CYS 35 8.798 -0.899 -1.774 256 HA CYS 35 HA CYS 35 7.294 -3.438 -1.277 257 1HB CYS 35 2HB CYS 35 7.770 -1.109 0.352 258 2HB CYS 35 1HB CYS 35 6.037 -1.298 0.075 259 H LEU 36 H LEU 36 4.977 -3.386 -1.696 260 HA LEU 36 HA LEU 36 4.127 -1.230 -3.566 261 1HB LEU 36 2HB LEU 36 4.686 -3.077 -4.999 262 2HB LEU 36 1HB LEU 36 3.840 -4.216 -3.966 263 HG LEU 36 HG LEU 36 2.663 -3.397 -6.137 264 1HD1 LEU 36 1HD1 LEU 36 1.773 -4.286 -3.669 265 2HD1 LEU 36 3HD1 LEU 36 0.729 -2.919 -4.032 266 3HD1 LEU 36 2HD1 LEU 36 0.846 -4.266 -5.164 267 1HD2 LEU 36 3HD2 LEU 36 2.502 -0.960 -4.373 268 2HD2 LEU 36 2HD2 LEU 36 2.823 -1.059 -6.100 269 3HD2 LEU 36 1HD2 LEU 36 1.197 -1.341 -5.484 270 H TRP 37 H TRP 37 2.412 -0.279 -2.629 271 HA TRP 37 HA TRP 37 0.688 -1.887 -0.832 272 1HB TRP 37 2HB TRP 37 0.558 1.096 -1.351 273 2HB TRP 37 1HB TRP 37 -0.154 0.197 -0.017 274 HD1 TRP 37 HD1 TRP 37 3.382 0.869 -1.436 275 HE1 TRP 37 HE1 TRP 37 5.008 0.991 0.563 276 HE3 TRP 37 HE3 TRP 37 0.158 -0.175 2.374 277 HZ2 TRP 37 HZ2 TRP 37 4.935 0.679 3.414 278 HZ3 TRP 37 HZ3 TRP 37 0.943 -0.267 4.709 279 HH2 TRP 37 HH2 TRP 37 3.336 0.166 5.240 280 H ASN 38 H ASN 38 -1.770 -1.134 -1.058 281 HA ASN 38 HA ASN 38 -2.450 -0.939 -3.953 282 1HB ASN 38 2HB ASN 38 -2.572 -3.304 -3.407 283 2HB ASN 38 1HB ASN 38 -3.542 -2.961 -1.976 284 1HD2 ASN 38 2HD2 ASN 38 -6.505 -2.198 -3.917 285 2HD2 ASN 38 1HD2 ASN 38 -5.696 -1.728 -2.501 286 H ALA 39 H ALA 39 -3.730 0.801 -4.174 287 HA ALA 39 HA ALA 39 -5.341 1.741 -1.879 288 1HB ALA 39 2HB ALA 39 -4.150 2.951 -4.254 289 2HB ALA 39 1HB ALA 39 -5.836 3.424 -4.050 290 3HB ALA 39 3HB ALA 39 -4.675 3.716 -2.754 291 H THR 40 H THR 40 -7.564 1.706 -1.863 292 HA THR 40 HA THR 40 -8.873 -0.061 -3.816 293 HB THR 40 HB THR 40 -10.690 -0.122 -2.292 294 HG1 THR 40 HG1 THR 40 -10.586 1.514 -0.503 295 1HG2 THR 40 1HG2 THR 40 -8.170 -0.718 -1.443 296 2HG2 THR 40 3HG2 THR 40 -8.677 0.420 -0.193 297 3HG2 THR 40 2HG2 THR 40 -9.625 -1.037 -0.499 298 H GLY 41 H GLY 41 -11.480 1.321 -3.499 299 1HA GLY 41 2HA GLY 41 -11.059 3.336 -5.635 300 2HA GLY 41 1HA GLY 41 -12.609 2.624 -5.185 301 H VAL 42 H VAL 42 -11.476 3.231 -2.268 302 HA VAL 42 HA VAL 42 -12.549 6.020 -2.247 303 HB VAL 42 HB VAL 42 -12.564 3.853 -0.127 304 1HG1 VAL 42 3HG1 VAL 42 -13.072 6.814 0.027 305 2HG1 VAL 42 2HG1 VAL 42 -13.963 5.714 1.079 306 3HG1 VAL 42 1HG1 VAL 42 -12.202 5.777 1.158 307 1HG2 VAL 42 3HG2 VAL 42 -14.286 4.018 -2.095 308 2HG2 VAL 42 2HG2 VAL 42 -14.888 3.793 -0.453 309 3HG2 VAL 42 1HG2 VAL 42 -14.922 5.393 -1.194 310 H VAL 43 H VAL 43 -10.455 6.965 -2.656 311 HA VAL 43 HA VAL 43 -8.794 7.120 -0.212 312 HB VAL 43 HB VAL 43 -7.776 6.224 -2.920 313 1HG1 VAL 43 2HG1 VAL 43 -6.393 8.098 -1.937 314 2HG1 VAL 43 1HG1 VAL 43 -6.115 7.070 -0.533 315 3HG1 VAL 43 3HG1 VAL 43 -5.523 6.575 -2.117 316 1HG2 VAL 43 3HG2 VAL 43 -8.544 4.474 -1.343 317 2HG2 VAL 43 2HG2 VAL 43 -6.798 4.400 -1.579 318 3HG2 VAL 43 1HG2 VAL 43 -7.460 5.118 -0.110 319 H VAL 44 H VAL 44 -7.538 9.076 -0.140 320 HA VAL 44 HA VAL 44 -8.728 11.282 -1.600 321 HB VAL 44 HB VAL 44 -6.278 11.140 0.180 322 1HG1 VAL 44 3HG1 VAL 44 -7.768 13.511 -0.987 323 2HG1 VAL 44 2HG1 VAL 44 -6.554 13.626 0.287 324 3HG1 VAL 44 1HG1 VAL 44 -6.096 13.054 -1.316 325 1HG2 VAL 44 2HG2 VAL 44 -9.132 12.060 0.652 326 2HG2 VAL 44 1HG2 VAL 44 -8.373 10.623 1.338 327 3HG2 VAL 44 3HG2 VAL 44 -7.815 12.227 1.815 328 H CYS 45 H CYS 45 -7.956 12.312 -3.424 329 HA CYS 45 HA CYS 45 -5.248 11.574 -4.401 330 1HB CYS 45 2HB CYS 45 -7.859 11.031 -5.739 331 2HB CYS 45 1HB CYS 45 -6.524 11.568 -6.757 332 H THR 46 H THR 46 -4.320 13.156 -5.778 333 HA THR 46 HA THR 46 -5.865 15.631 -6.287 334 HB THR 46 HB THR 46 -4.759 15.905 -4.047 335 HG1 THR 46 HG1 THR 46 -4.815 17.858 -4.796 336 1HG2 THR 46 3HG2 THR 46 -2.716 14.484 -5.107 337 2HG2 THR 46 2HG2 THR 46 -2.101 16.120 -5.347 338 3HG2 THR 46 1HG2 THR 46 -2.521 15.564 -3.726 339 H GLY 47 H GLY 47 -5.077 16.754 -8.105 340 1HA GLY 47 2HA GLY 47 -3.696 17.167 -9.983 341 2HA GLY 47 1HA GLY 47 -2.476 16.116 -9.258 342 H ASP 48 H ASP 48 -5.832 15.661 -10.441 343 HA ASP 48 HA ASP 48 -6.702 14.006 -11.862 344 1HB ASP 48 2HB ASP 48 -3.824 14.086 -12.790 345 2HB ASP 48 1HB ASP 48 -5.015 13.007 -13.512 346 H GLU 49 H GLU 49 -5.145 13.491 -9.223 347 HA GLU 49 HA GLU 49 -5.065 11.588 -7.860 348 1HB GLU 49 2HB GLU 49 -5.413 9.862 -10.314 349 2HB GLU 49 1HB GLU 49 -5.791 9.466 -8.638 350 1HG GLU 49 2HG GLU 49 -7.439 11.472 -8.766 351 2HG GLU 49 1HG GLU 49 -7.276 11.296 -10.514 352 H THR 50 H THR 50 -2.821 12.851 -9.362 353 HA THR 50 HA THR 50 -0.979 10.711 -10.061 354 HB THR 50 HB THR 50 0.644 12.832 -9.510 355 HG1 THR 50 HG1 THR 50 -0.734 14.356 -8.966 356 1HG2 THR 50 3HG2 THR 50 0.327 11.574 -11.663 357 2HG2 THR 50 2HG2 THR 50 -1.062 12.610 -12.000 358 3HG2 THR 50 1HG2 THR 50 0.553 13.311 -11.878 359 H GLN 51 H GLN 51 -1.442 12.856 -7.262 360 HA GLN 51 HA GLN 51 0.237 10.967 -5.663 361 1HB GLN 51 2HB GLN 51 -0.546 13.706 -4.702 362 2HB GLN 51 1HB GLN 51 0.856 12.732 -4.259 363 1HG GLN 51 2HG GLN 51 1.387 13.010 -6.867 364 2HG GLN 51 1HG GLN 51 0.435 14.477 -6.642 365 1HE2 GLN 51 2HE2 GLN 51 4.024 15.241 -5.846 366 2HE2 GLN 51 1HE2 GLN 51 3.217 14.645 -7.216 367 H CYS 52 H CYS 52 -0.776 9.944 -3.931 368 HA CYS 52 HA CYS 52 -3.408 10.981 -3.065 369 1HB CYS 52 2HB CYS 52 -3.071 8.162 -4.115 370 2HB CYS 52 1HB CYS 52 -4.550 8.843 -3.439 371 H TYR 53 H TYR 53 -4.164 10.061 -1.064 372 HA TYR 53 HA TYR 53 -2.224 8.344 0.374 373 1HB TYR 53 2HB TYR 53 -1.492 10.227 1.453 374 2HB TYR 53 1HB TYR 53 -2.917 11.155 1.002 375 HD1 TYR 53 HD1 TYR 53 -1.570 8.683 3.442 376 HD2 TYR 53 HD2 TYR 53 -4.812 11.330 2.464 377 HE1 TYR 53 HE1 TYR 53 -2.503 8.383 5.722 378 HE2 TYR 53 HE2 TYR 53 -5.738 11.034 4.742 379 HH TYR 53 HH TYR 53 -4.168 8.876 7.104 380 H GLY 54 H GLY 54 -3.197 7.232 2.227 381 1HA GLY 54 2HA GLY 54 -5.618 7.233 3.372 382 2HA GLY 54 1HA GLY 54 -6.075 6.705 1.751 383 H THR 55 H THR 55 -6.607 4.543 2.230 384 HA THR 55 HA THR 55 -4.577 2.925 3.683 385 HB THR 55 HB THR 55 -6.355 1.080 3.348 386 HG1 THR 55 HG1 THR 55 -8.481 2.289 3.107 387 1HG2 THR 55 1HG2 THR 55 -5.967 2.870 5.327 388 2HG2 THR 55 3HG2 THR 55 -7.621 3.283 4.879 389 3HG2 THR 55 2HG2 THR 55 -7.227 1.639 5.377 390 H TRP 56 H TRP 56 -3.122 1.832 2.570 391 HA TRP 56 HA TRP 56 -3.687 1.059 -0.256 392 1HB TRP 56 2HB TRP 56 -1.039 1.714 1.034 393 2HB TRP 56 1HB TRP 56 -1.321 1.365 -0.673 394 HD1 TRP 56 HD1 TRP 56 -2.185 4.001 1.983 395 HE1 TRP 56 HE1 TRP 56 -2.641 6.224 0.769 396 HE3 TRP 56 HE3 TRP 56 -1.872 2.404 -2.836 397 HZ2 TRP 56 HZ2 TRP 56 -2.842 7.195 -1.944 398 HZ3 TRP 56 HZ3 TRP 56 -2.200 3.975 -4.722 399 HH2 TRP 56 HH2 TRP 56 -2.688 6.365 -4.280 400 H VAL 57 H VAL 57 -4.514 -1.016 0.896 401 HA VAL 57 HA VAL 57 -3.073 -2.651 2.593 402 HB VAL 57 HB VAL 57 -4.632 -3.503 0.132 403 1HG1 VAL 57 3HG1 VAL 57 -2.903 -5.119 1.530 404 2HG1 VAL 57 2HG1 VAL 57 -4.410 -5.363 2.410 405 3HG1 VAL 57 1HG1 VAL 57 -4.337 -5.691 0.679 406 1HG2 VAL 57 3HG2 VAL 57 -5.346 -2.451 2.717 407 2HG2 VAL 57 2HG2 VAL 57 -6.408 -2.908 1.384 408 3HG2 VAL 57 1HG2 VAL 57 -5.930 -4.110 2.583 409 HA PRO 58 HA PRO 58 0.698 -3.413 0.375 410 1HB PRO 58 2HB PRO 58 1.797 -5.089 2.276 411 2HB PRO 58 1HB PRO 58 1.784 -3.319 2.408 412 1HG PRO 58 2HG PRO 58 0.132 -5.319 3.868 413 2HG PRO 58 1HG PRO 58 0.586 -3.672 4.345 414 1HD PRO 58 2HD PRO 58 -1.931 -4.480 3.299 415 2HD PRO 58 1HD PRO 58 -1.369 -2.812 3.507 416 H ILE 59 H ILE 59 1.514 -5.144 -0.926 417 HA ILE 59 HA ILE 59 0.431 -7.851 -0.569 418 HB ILE 59 HB ILE 59 -0.547 -7.872 -2.877 419 1HG1 ILE 59 2HG1 ILE 59 0.757 -5.731 -3.492 420 2HG1 ILE 59 1HG1 ILE 59 -0.888 -5.885 -4.095 421 1HG2 ILE 59 3HG2 ILE 59 -1.898 -7.582 -0.761 422 2HG2 ILE 59 2HG2 ILE 59 -1.852 -5.842 -1.044 423 3HG2 ILE 59 1HG2 ILE 59 -2.653 -6.903 -2.202 424 1HD1 ILE 59 2HD1 ILE 59 -1.593 -4.578 -1.977 425 2HD1 ILE 59 1HD1 ILE 59 0.114 -4.174 -1.814 426 3HD1 ILE 59 3HD1 ILE 59 -0.775 -3.678 -3.248 427 H GLY 60 H GLY 60 2.366 -5.589 -2.521 428 1HA GLY 60 2HA GLY 60 4.024 -7.959 -3.271 429 2HA GLY 60 1HA GLY 60 3.570 -6.765 -4.481 430 H LEU 61 H LEU 61 5.927 -6.605 -4.747 431 HA LEU 61 HA LEU 61 7.266 -5.039 -2.602 432 1HB LEU 61 2HB LEU 61 8.531 -6.193 -5.097 433 2HB LEU 61 1HB LEU 61 9.338 -5.666 -3.619 434 HG LEU 61 HG LEU 61 7.523 -8.065 -3.968 435 1HD1 LEU 61 2HD1 LEU 61 10.181 -7.889 -4.403 436 2HD1 LEU 61 1HD1 LEU 61 10.194 -8.180 -2.664 437 3HD1 LEU 61 3HD1 LEU 61 9.420 -9.338 -3.745 438 1HD2 LEU 61 2HD2 LEU 61 8.135 -6.433 -1.598 439 2HD2 LEU 61 1HD2 LEU 61 6.870 -7.637 -1.837 440 3HD2 LEU 61 3HD2 LEU 61 8.496 -8.146 -1.387 441 H ALA 62 H ALA 62 6.035 -4.821 -5.887 442 HA ALA 62 HA ALA 62 5.907 -2.017 -5.876 443 1HB ALA 62 3HB ALA 62 8.594 -3.057 -6.430 444 2HB ALA 62 2HB ALA 62 8.010 -1.914 -7.640 445 3HB ALA 62 1HB ALA 62 8.086 -1.440 -5.943 446 H ILE 63 H ILE 63 4.180 -3.826 -6.985 447 HA ILE 63 HA ILE 63 3.410 -2.852 -9.385 448 HB ILE 63 HB ILE 63 5.884 -4.329 -9.807 449 1HG1 ILE 63 2HG1 ILE 63 5.452 -2.017 -10.542 450 2HG1 ILE 63 1HG1 ILE 63 5.786 -3.048 -11.931 451 1HG2 ILE 63 2HG2 ILE 63 3.413 -5.172 -11.317 452 2HG2 ILE 63 1HG2 ILE 63 5.009 -5.237 -12.067 453 3HG2 ILE 63 3HG2 ILE 63 4.675 -6.188 -10.619 454 1HD1 ILE 63 3HD1 ILE 63 3.097 -3.338 -11.787 455 2HD1 ILE 63 2HD1 ILE 63 3.252 -1.709 -11.127 456 3HD1 ILE 63 1HD1 ILE 63 3.873 -2.072 -12.738 457 HA PRO 64 HA PRO 64 1.837 -7.377 -9.329 458 1HB PRO 64 2HB PRO 64 2.399 -8.835 -7.055 459 2HB PRO 64 1HB PRO 64 3.320 -8.922 -8.569 460 1HG PRO 64 2HG PRO 64 4.039 -7.588 -6.009 461 2HG PRO 64 1HG PRO 64 5.097 -8.224 -7.273 462 1HD PRO 64 2HD PRO 64 4.491 -5.514 -6.862 463 2HD PRO 64 1HD PRO 64 5.219 -6.188 -8.332 464 H GLU 65 H GLU 65 -0.144 -8.112 -8.500 465 HA GLU 65 HA GLU 65 -1.542 -6.192 -6.795 466 1HB GLU 65 2HB GLU 65 -3.538 -7.366 -7.458 467 2HB GLU 65 1HB GLU 65 -2.502 -7.289 -8.882 468 1HG GLU 65 2HG GLU 65 -1.685 -9.559 -8.447 469 2HG GLU 65 1HG GLU 65 -2.677 -9.651 -6.993 470 H ASN 66 H ASN 66 -3.438 -8.082 -5.722 471 HA ASN 66 HA ASN 66 -1.915 -8.945 -3.342 472 1HB ASN 66 2HB ASN 66 -4.244 -7.679 -3.458 473 2HB ASN 66 1HB ASN 66 -4.870 -9.319 -3.630 474 1HD2 ASN 66 2HD2 ASN 66 -4.747 -8.675 0.014 475 2HD2 ASN 66 1HD2 ASN 66 -5.631 -8.094 -1.313 476 H ALA 67 H ALA 67 -1.208 -10.521 -5.461 477 HA ALA 67 HA ALA 67 -1.788 -13.151 -4.555 478 1HB ALA 67 1HB ALA 67 -4.030 -12.385 -5.651 479 2HB ALA 67 3HB ALA 67 -3.178 -12.631 -7.176 480 3HB ALA 67 2HB ALA 67 -3.393 -13.978 -6.058 481 H ALA 68 H ALA 68 0.234 -13.889 -5.014 482 HA ALA 68 HA ALA 68 2.053 -13.020 -6.902 483 1HB ALA 68 3HB ALA 68 1.533 -15.831 -5.909 484 2HB ALA 68 2HB ALA 68 2.917 -15.419 -6.924 485 3HB ALA 68 1HB ALA 68 2.743 -14.687 -5.329 486 H ALA 69 H ALA 69 1.280 -12.493 -8.949 487 HA ALA 69 HA ALA 69 -0.549 -14.088 -10.463 488 1HB ALA 69 1HB ALA 69 0.588 -11.602 -10.773 489 2HB ALA 69 3HB ALA 69 1.396 -12.531 -12.036 490 3HB ALA 69 2HB ALA 69 -0.364 -12.429 -12.005 491 H HIS 70 HN HIS 70 -0.169 -15.672 -12.044 492 HA HIS 70 HA HIS 70 2.345 -17.144 -11.770 493 1HB HIS 70 2HB HIS 70 -0.295 -17.783 -12.503 494 2HB HIS 70 1HB HIS 70 0.668 -18.044 -13.957 495 HD1 HIS 70 HD1 HIS 70 0.141 -19.318 -10.485 496 HD2 HIS 70 HD2 HIS 70 2.698 -20.061 -13.693 497 HE1 HIS 70 HE1 HIS 70 1.339 -21.486 -9.959 No H/Q in entry = 497 Start of MODEL 3 1 1H GLU 1 1H GLU 1 13.170 -7.196 -0.138 2 2H GLU 1 3H GLU 1 13.432 -5.538 -0.370 3 3H GLU 1 2H GLU 1 13.763 -6.246 1.137 4 HA GLU 1 HA GLU 1 11.750 -5.152 1.455 5 1HB GLU 1 2HB GLU 1 9.980 -5.088 -0.113 6 2HB GLU 1 1HB GLU 1 11.439 -4.901 -1.083 7 1HG GLU 1 2HG GLU 1 10.078 -7.566 -0.613 8 2HG GLU 1 1HG GLU 1 9.769 -6.545 -2.013 9 H THR 2 H THR 2 11.887 -8.459 0.099 10 HA THR 2 HA THR 2 11.050 -10.470 0.975 11 HB THR 2 HB THR 2 10.788 -9.242 3.675 12 HG1 THR 2 HG1 THR 2 13.224 -9.623 3.667 13 1HG2 THR 2 2HG2 THR 2 11.271 -11.840 2.467 14 2HG2 THR 2 1HG2 THR 2 12.488 -11.467 3.688 15 3HG2 THR 2 3HG2 THR 2 10.777 -11.450 4.114 16 H VAL 3 H VAL 3 8.969 -10.577 0.074 17 HA VAL 3 HA VAL 3 6.751 -9.015 0.596 18 HB VAL 3 HB VAL 3 6.607 -12.036 0.409 19 1HG1 VAL 3 3HG1 VAL 3 4.700 -9.852 0.303 20 2HG1 VAL 3 2HG1 VAL 3 4.679 -10.777 -1.196 21 3HG1 VAL 3 1HG1 VAL 3 4.402 -11.589 0.342 22 1HG2 VAL 3 3HG2 VAL 3 7.897 -10.259 -1.386 23 2HG2 VAL 3 2HG2 VAL 3 7.496 -11.953 -1.660 24 3HG2 VAL 3 1HG2 VAL 3 6.358 -10.690 -2.129 25 H GLU 4 H GLU 4 8.275 -11.299 2.752 26 HA GLU 4 HA GLU 4 6.146 -11.766 4.569 27 1HB GLU 4 2HB GLU 4 8.812 -12.458 4.445 28 2HB GLU 4 1HB GLU 4 8.774 -11.367 5.831 29 1HG GLU 4 2HG GLU 4 6.565 -13.335 5.713 30 2HG GLU 4 1HG GLU 4 8.169 -14.016 5.989 31 H SER 5 H SER 5 8.729 -9.275 4.832 32 HA SER 5 HA SER 5 7.250 -7.885 6.932 33 1HB SER 5 2HB SER 5 9.748 -7.890 6.807 34 2HB SER 5 1HB SER 5 9.644 -6.937 5.329 35 HG SER 5 HG SER 5 9.450 -5.266 6.571 36 H CYS 6 H CYS 6 7.934 -7.305 3.485 37 HA CYS 6 HA CYS 6 6.781 -4.777 3.180 38 1HB CYS 6 2HB CYS 6 7.402 -7.010 1.456 39 2HB CYS 6 1HB CYS 6 5.854 -6.307 0.984 40 H LEU 7 H LEU 7 5.228 -7.896 3.643 41 HA LEU 7 HA LEU 7 2.555 -6.643 3.374 42 1HB LEU 7 2HB LEU 7 3.312 -9.539 3.855 43 2HB LEU 7 1HB LEU 7 1.698 -8.932 3.469 44 HG LEU 7 HG LEU 7 4.160 -8.782 1.710 45 1HD1 LEU 7 3HD1 LEU 7 1.534 -10.273 1.547 46 2HD1 LEU 7 2HD1 LEU 7 2.595 -10.057 0.154 47 3HD1 LEU 7 1HD1 LEU 7 3.162 -10.949 1.566 48 1HD2 LEU 7 2HD2 LEU 7 1.389 -7.613 1.339 49 2HD2 LEU 7 1HD2 LEU 7 2.894 -6.710 1.520 50 3HD2 LEU 7 3HD2 LEU 7 2.619 -7.690 0.078 51 H ALA 8 H ALA 8 4.840 -7.687 5.723 52 HA ALA 8 HA ALA 8 2.976 -7.925 7.947 53 1HB ALA 8 2HB ALA 8 5.476 -8.773 7.719 54 2HB ALA 8 1HB ALA 8 5.858 -7.161 8.324 55 3HB ALA 8 3HB ALA 8 4.862 -8.251 9.288 56 H LYS 9 H LYS 9 4.023 -5.416 6.043 57 HA LYS 9 HA LYS 9 4.576 -3.185 7.563 58 1HB LYS 9 2HB LYS 9 3.216 -3.811 5.014 59 2HB LYS 9 1HB LYS 9 2.844 -2.224 5.661 60 1HG LYS 9 2HG LYS 9 5.208 -1.666 5.780 61 2HG LYS 9 1HG LYS 9 5.649 -3.310 5.326 62 1HD LYS 9 2HD LYS 9 4.873 -3.047 3.119 63 2HD LYS 9 1HD LYS 9 3.917 -1.626 3.529 64 1HE LYS 9 2HE LYS 9 6.880 -1.862 3.101 65 2HE LYS 9 1HE LYS 9 5.760 -0.649 2.482 66 1HZ LYS 9 3HZ LYS 9 5.492 -0.049 4.961 67 2HZ LYS 9 2HZ LYS 9 6.972 -0.864 5.156 68 3HZ LYS 9 1HZ LYS 9 6.869 0.485 4.129 69 HA PRO 10 HA PRO 10 0.982 -2.077 9.860 70 1HB PRO 10 2HB PRO 10 0.254 0.445 9.004 71 2HB PRO 10 1HB PRO 10 1.620 0.116 10.084 72 1HG PRO 10 2HG PRO 10 1.644 0.777 7.167 73 2HG PRO 10 1HG PRO 10 2.857 1.130 8.409 74 1HD PRO 10 2HD PRO 10 3.069 -0.913 6.535 75 2HD PRO 10 1HD PRO 10 3.961 -0.866 8.065 76 H HIS 11 H HIS 11 0.788 -2.465 6.550 77 HA HIS 11 HA HIS 11 -0.903 -3.306 5.213 78 1HB HIS 11 2HB HIS 11 -1.937 -3.664 7.911 79 2HB HIS 11 1HB HIS 11 -3.214 -3.413 6.716 80 HD1 HIS 11 HD1 HIS 11 0.077 -5.379 6.709 81 HD2 HIS 11 HD2 HIS 11 -3.933 -5.856 5.675 82 HE1 HIS 11 HE1 HIS 11 -0.147 -7.720 5.769 83 H THR 12 H THR 12 -0.864 -1.223 4.099 84 HA THR 12 HA THR 12 -2.229 0.260 2.933 85 HB THR 12 HB THR 12 -4.033 -1.312 4.236 86 HG1 THR 12 HG1 THR 12 -5.392 -0.623 2.708 87 1HG2 THR 12 3HG2 THR 12 -4.587 1.566 4.972 88 2HG2 THR 12 2HG2 THR 12 -5.842 0.329 4.939 89 3HG2 THR 12 1HG2 THR 12 -4.496 0.183 6.057 90 H GLU 13 H GLU 13 -2.846 0.872 6.430 91 HA GLU 13 HA GLU 13 -3.163 3.605 6.222 92 1HB GLU 13 2HB GLU 13 -3.105 2.148 8.367 93 2HB GLU 13 1HB GLU 13 -1.373 2.486 8.391 94 1HG GLU 13 2HG GLU 13 -2.300 4.990 7.991 95 2HG GLU 13 1HG GLU 13 -3.665 4.316 8.884 96 H ASN 14 H ASN 14 -1.998 4.675 4.726 97 HA ASN 14 HA ASN 14 0.460 5.857 5.227 98 1HB ASN 14 2HB ASN 14 0.809 3.087 4.543 99 2HB ASN 14 1HB ASN 14 1.437 4.072 3.220 100 1HD2 ASN 14 2HD2 ASN 14 3.616 5.855 5.718 101 2HD2 ASN 14 1HD2 ASN 14 2.330 6.341 4.724 102 H SER 15 H SER 15 1.551 5.701 2.501 103 HA SER 15 HA SER 15 -0.505 6.004 0.557 104 1HB SER 15 2HB SER 15 -0.419 8.523 0.378 105 2HB SER 15 1HB SER 15 -1.244 7.921 1.812 106 HG SER 15 HG SER 15 1.517 8.403 1.911 107 H PHE 16 H PHE 16 0.472 7.850 -1.127 108 HA PHE 16 HA PHE 16 3.303 8.003 -1.361 109 1HB PHE 16 2HB PHE 16 3.351 5.638 -1.710 110 2HB PHE 16 1HB PHE 16 1.942 5.697 -2.769 111 HD1 PHE 16 HD1 PHE 16 5.231 7.507 -2.554 112 HD2 PHE 16 HD2 PHE 16 2.440 5.359 -5.011 113 HE1 PHE 16 HE1 PHE 16 6.708 7.835 -4.517 114 HE2 PHE 16 HE2 PHE 16 3.918 5.685 -6.972 115 HZ PHE 16 HZ PHE 16 6.056 6.918 -6.728 116 H THR 17 H THR 17 3.852 9.193 -3.328 117 HA THR 17 HA THR 17 1.424 10.219 -4.711 118 HB THR 17 HB THR 17 2.382 12.157 -3.955 119 HG1 THR 17 HG1 THR 17 4.276 11.976 -5.980 120 1HG2 THR 17 2HG2 THR 17 5.084 10.801 -4.220 121 2HG2 THR 17 1HG2 THR 17 4.825 12.428 -3.589 122 3HG2 THR 17 3HG2 THR 17 4.181 11.033 -2.722 123 H ASN 18 H ASN 18 1.621 10.638 -7.060 124 HA ASN 18 HA ASN 18 2.329 10.033 -9.234 125 1HB ASN 18 2HB ASN 18 4.684 10.237 -8.061 126 2HB ASN 18 1HB ASN 18 4.630 8.474 -8.088 127 1HD2 ASN 18 2HD2 ASN 18 5.538 10.438 -11.466 128 2HD2 ASN 18 1HD2 ASN 18 5.470 11.194 -9.948 129 H VAL 19 H VAL 19 1.013 8.290 -6.957 130 HA VAL 19 HA VAL 19 1.413 5.565 -7.339 131 HB VAL 19 HB VAL 19 -1.282 6.932 -7.092 132 1HG1 VAL 19 1HG1 VAL 19 -0.855 4.311 -7.513 133 2HG1 VAL 19 3HG1 VAL 19 -0.589 4.348 -5.771 134 3HG1 VAL 19 2HG1 VAL 19 -2.128 4.889 -6.441 135 1HG2 VAL 19 2HG2 VAL 19 1.001 6.578 -5.221 136 2HG2 VAL 19 1HG2 VAL 19 -0.262 7.808 -5.234 137 3HG2 VAL 19 3HG2 VAL 19 -0.595 6.210 -4.569 138 H TRP 20 H TRP 20 0.488 3.989 -8.760 139 HA TRP 20 HA TRP 20 -0.581 5.128 -11.308 140 1HB TRP 20 2HB TRP 20 0.905 3.913 -12.529 141 2HB TRP 20 1HB TRP 20 1.808 3.768 -11.027 142 HD1 TRP 20 HD1 TRP 20 -0.380 1.805 -13.427 143 HE1 TRP 20 HE1 TRP 20 -0.338 -0.692 -12.779 144 HE3 TRP 20 HE3 TRP 20 2.110 2.097 -8.979 145 HZ2 TRP 20 HZ2 TRP 20 0.658 -2.343 -10.670 146 HZ3 TRP 20 HZ3 TRP 20 2.593 0.046 -7.674 147 HH2 TRP 20 HH2 TRP 20 1.866 -2.171 -8.516 148 H LYS 21 H LYS 21 -1.579 2.986 -12.541 149 HA LYS 21 HA LYS 21 -3.175 1.406 -10.612 150 1HB LYS 21 2HB LYS 21 -4.543 3.428 -11.105 151 2HB LYS 21 1HB LYS 21 -4.447 3.047 -12.826 152 1HG LYS 21 2HG LYS 21 -5.261 0.648 -11.739 153 2HG LYS 21 1HG LYS 21 -6.111 1.825 -10.737 154 1HD LYS 21 2HD LYS 21 -7.596 1.509 -12.527 155 2HD LYS 21 1HD LYS 21 -6.719 2.964 -13.003 156 1HE LYS 21 2HE LYS 21 -5.530 1.872 -14.657 157 2HE LYS 21 1HE LYS 21 -5.584 0.322 -13.818 158 1HZ LYS 21 3HZ LYS 21 -8.199 0.912 -14.347 159 2HZ LYS 21 2HZ LYS 21 -7.382 1.394 -15.757 160 3HZ LYS 21 1HZ LYS 21 -7.233 -0.201 -15.187 161 H ASP 22 H ASP 22 -2.792 -0.645 -11.304 162 HA ASP 22 HA ASP 22 -2.204 -1.105 -14.153 163 1HB ASP 22 2HB ASP 22 -1.244 -2.205 -11.783 164 2HB ASP 22 1HB ASP 22 -2.288 -3.465 -12.442 165 H ASP 23 H ASP 23 -3.684 -1.913 -15.536 166 HA ASP 23 HA ASP 23 -6.375 -2.567 -14.603 167 1HB ASP 23 2HB ASP 23 -6.916 -2.847 -16.932 168 2HB ASP 23 1HB ASP 23 -5.812 -1.473 -16.848 169 H LYS 24 H LYS 24 -3.400 -4.177 -15.173 170 HA LYS 24 HA LYS 24 -4.502 -6.859 -15.529 171 1HB LYS 24 2HB LYS 24 -1.782 -5.639 -15.148 172 2HB LYS 24 1HB LYS 24 -1.987 -7.368 -14.856 173 1HG LYS 24 2HG LYS 24 -3.325 -7.084 -17.221 174 2HG LYS 24 1HG LYS 24 -2.059 -5.868 -17.403 175 1HD LYS 24 2HD LYS 24 -0.564 -7.878 -16.427 176 2HD LYS 24 1HD LYS 24 -1.829 -8.830 -17.206 177 1HE LYS 24 2HE LYS 24 -0.998 -8.382 -19.249 178 2HE LYS 24 1HE LYS 24 -1.003 -6.650 -18.922 179 1HZ LYS 24 1HZ LYS 24 1.054 -7.999 -17.481 180 2HZ LYS 24 3HZ LYS 24 1.202 -8.251 -19.151 181 3HZ LYS 24 2HZ LYS 24 1.167 -6.670 -18.532 182 H THR 25 H THR 25 -2.630 -5.219 -12.966 183 HA THR 25 HA THR 25 -3.076 -7.182 -10.947 184 HB THR 25 HB THR 25 -2.419 -5.471 -9.362 185 HG1 THR 25 HG1 THR 25 -2.239 -3.256 -10.484 186 1HG2 THR 25 1HG2 THR 25 -0.691 -6.250 -11.012 187 2HG2 THR 25 3HG2 THR 25 -1.045 -4.819 -11.979 188 3HG2 THR 25 2HG2 THR 25 -0.377 -4.643 -10.356 189 H LEU 26 H LEU 26 -4.979 -4.592 -12.269 190 HA LEU 26 HA LEU 26 -7.286 -4.168 -12.077 191 1HB LEU 26 2HB LEU 26 -6.951 -6.899 -11.263 192 2HB LEU 26 1HB LEU 26 -8.126 -6.132 -10.195 193 HG LEU 26 HG LEU 26 -8.213 -6.245 -13.221 194 1HD1 LEU 26 1HD1 LEU 26 -9.371 -7.799 -11.070 195 2HD1 LEU 26 3HD1 LEU 26 -10.641 -7.033 -12.024 196 3HD1 LEU 26 2HD1 LEU 26 -9.457 -8.078 -12.809 197 1HD2 LEU 26 3HD2 LEU 26 -9.652 -4.524 -11.225 198 2HD2 LEU 26 2HD2 LEU 26 -9.041 -4.100 -12.824 199 3HD2 LEU 26 1HD2 LEU 26 -10.511 -5.063 -12.668 200 H ASP 27 H ASP 27 -5.869 -2.488 -10.594 201 HA ASP 27 HA ASP 27 -7.528 -1.710 -8.463 202 1HB ASP 27 2HB ASP 27 -6.036 -4.031 -7.810 203 2HB ASP 27 1HB ASP 27 -5.331 -2.696 -6.906 204 H ARG 28 H ARG 28 -6.276 -0.271 -6.797 205 HA ARG 28 HA ARG 28 -4.384 1.378 -8.356 206 1HB ARG 28 2HB ARG 28 -6.269 2.329 -6.908 207 2HB ARG 28 1HB ARG 28 -5.327 1.817 -5.510 208 1HG ARG 28 2HG ARG 28 -4.702 4.082 -5.875 209 2HG ARG 28 1HG ARG 28 -3.378 3.130 -6.547 210 1HD ARG 28 2HD ARG 28 -3.897 4.794 -8.185 211 2HD ARG 28 1HD ARG 28 -4.568 3.280 -8.790 212 HE ARG 28 HE ARG 28 -6.325 5.170 -7.295 213 1HH1 ARG 28 1HH2 ARG 28 -7.038 2.540 -8.823 214 2HH1 ARG 28 2HH2 ARG 28 -7.825 3.213 -10.213 215 1HH2 ARG 28 2HH1 ARG 28 -6.655 6.429 -9.649 216 2HH2 ARG 28 1HH1 ARG 28 -7.608 5.415 -10.680 217 H TYR 29 H TYR 29 -2.194 1.731 -7.636 218 HA TYR 29 HA TYR 29 -1.272 0.148 -5.319 219 1HB TYR 29 2HB TYR 29 -0.278 -0.320 -8.143 220 2HB TYR 29 1HB TYR 29 0.492 -0.966 -6.695 221 HD1 TYR 29 HD1 TYR 29 -2.484 -1.114 -8.863 222 HD2 TYR 29 HD2 TYR 29 -0.548 -2.747 -5.392 223 HE1 TYR 29 HE1 TYR 29 -4.075 -3.016 -8.870 224 HE2 TYR 29 HE2 TYR 29 -2.141 -4.649 -5.400 225 HH TYR 29 HH TYR 29 -4.416 -5.137 -6.245 226 H ALA 30 H ALA 30 0.685 0.895 -4.475 227 HA ALA 30 HA ALA 30 1.834 3.298 -5.838 228 1HB ALA 30 1HB ALA 30 0.908 2.894 -3.040 229 2HB ALA 30 3HB ALA 30 2.410 3.794 -3.247 230 3HB ALA 30 2HB ALA 30 0.928 4.361 -4.017 231 H ASN 31 H ASN 31 3.716 2.454 -6.653 232 HA ASN 31 HA ASN 31 5.225 0.348 -5.447 233 1HB ASN 31 2HB ASN 31 7.124 1.410 -6.919 234 2HB ASN 31 1HB ASN 31 5.737 0.657 -7.705 235 1HD2 ASN 31 2HD2 ASN 31 4.818 3.636 -9.315 236 2HD2 ASN 31 1HD2 ASN 31 4.748 1.941 -9.257 237 H TYR 32 H TYR 32 5.836 0.665 -3.333 238 HA TYR 32 HA TYR 32 7.016 3.239 -2.508 239 1HB TYR 32 2HB TYR 32 5.510 2.119 -0.946 240 2HB TYR 32 1HB TYR 32 6.504 0.663 -0.991 241 HD1 TYR 32 HD1 TYR 32 6.771 4.337 -0.276 242 HD2 TYR 32 HD2 TYR 32 8.179 0.378 0.613 243 HE1 TYR 32 HE1 TYR 32 8.191 5.249 1.541 244 HE2 TYR 32 HE2 TYR 32 9.598 1.290 2.432 245 HH TYR 32 HH TYR 32 9.496 4.739 3.284 246 H GLU 33 H GLU 33 8.607 2.242 -4.441 247 HA GLU 33 HA GLU 33 10.705 1.249 -4.937 248 1HB GLU 33 2HB GLU 33 11.065 3.050 -2.547 249 2HB GLU 33 1HB GLU 33 12.446 2.230 -3.277 250 1HG GLU 33 2HG GLU 33 12.247 3.393 -5.289 251 2HG GLU 33 1HG GLU 33 10.537 3.743 -5.031 252 H GLY 34 H GLY 34 10.294 -0.997 -4.525 253 1HA GLY 34 2HA GLY 34 11.441 -2.893 -3.487 254 2HA GLY 34 1HA GLY 34 11.559 -1.952 -1.999 255 H CYS 35 H CYS 35 8.784 -1.002 -2.118 256 HA CYS 35 HA CYS 35 7.416 -3.587 -1.469 257 1HB CYS 35 2HB CYS 35 7.957 -1.539 0.269 258 2HB CYS 35 1HB CYS 35 6.337 -1.110 -0.278 259 H LEU 36 H LEU 36 4.943 -3.349 -1.630 260 HA LEU 36 HA LEU 36 4.125 -1.412 -3.730 261 1HB LEU 36 2HB LEU 36 4.698 -3.464 -4.953 262 2HB LEU 36 1HB LEU 36 3.634 -4.396 -3.904 263 HG LEU 36 HG LEU 36 1.803 -2.702 -4.622 264 1HD1 LEU 36 1HD1 LEU 36 3.964 -1.556 -5.916 265 2HD1 LEU 36 3HD1 LEU 36 3.137 -2.418 -7.212 266 3HD1 LEU 36 2HD1 LEU 36 2.270 -1.217 -6.258 267 1HD2 LEU 36 1HD2 LEU 36 2.829 -5.124 -5.844 268 2HD2 LEU 36 3HD2 LEU 36 1.156 -4.604 -5.646 269 3HD2 LEU 36 2HD2 LEU 36 2.078 -4.089 -7.058 270 H TRP 37 H TRP 37 2.539 -0.345 -2.632 271 HA TRP 37 HA TRP 37 0.725 -1.880 -0.870 272 1HB TRP 37 2HB TRP 37 0.637 1.088 -1.483 273 2HB TRP 37 1HB TRP 37 -0.116 0.238 -0.141 274 HD1 TRP 37 HD1 TRP 37 3.474 0.813 -1.481 275 HE1 TRP 37 HE1 TRP 37 5.035 1.003 0.564 276 HE3 TRP 37 HE3 TRP 37 0.121 -0.022 2.269 277 HZ2 TRP 37 HZ2 TRP 37 4.872 0.830 3.418 278 HZ3 TRP 37 HZ3 TRP 37 0.833 -0.014 4.628 279 HH2 TRP 37 HH2 TRP 37 3.210 0.414 5.217 280 H ASN 38 H ASN 38 -1.714 -1.031 -1.164 281 HA ASN 38 HA ASN 38 -2.386 -0.785 -4.039 282 1HB ASN 38 2HB ASN 38 -2.406 -3.148 -3.841 283 2HB ASN 38 1HB ASN 38 -3.160 -3.090 -2.248 284 1HD2 ASN 38 2HD2 ASN 38 -6.452 -2.470 -3.584 285 2HD2 ASN 38 1HD2 ASN 38 -5.474 -2.158 -2.233 286 H ALA 39 H ALA 39 -3.883 0.786 -4.190 287 HA ALA 39 HA ALA 39 -5.469 1.515 -1.803 288 1HB ALA 39 3HB ALA 39 -4.429 2.914 -4.109 289 2HB ALA 39 2HB ALA 39 -6.170 3.169 -3.981 290 3HB ALA 39 1HB ALA 39 -5.117 3.581 -2.628 291 H THR 40 H THR 40 -7.658 1.211 -1.664 292 HA THR 40 HA THR 40 -9.047 0.039 -4.039 293 HB THR 40 HB THR 40 -8.651 -1.766 -2.474 294 HG1 THR 40 HG1 THR 40 -10.944 -1.992 -1.691 295 1HG2 THR 40 1HG2 THR 40 -9.853 0.081 -0.391 296 2HG2 THR 40 3HG2 THR 40 -9.382 -1.596 -0.118 297 3HG2 THR 40 2HG2 THR 40 -8.156 -0.387 -0.497 298 H GLY 41 H GLY 41 -11.312 0.596 -4.185 299 1HA GLY 41 2HA GLY 41 -13.200 1.960 -3.851 300 2HA GLY 41 1HA GLY 41 -12.626 2.234 -2.205 301 H VAL 42 H VAL 42 -13.300 4.503 -2.554 302 HA VAL 42 HA VAL 42 -11.583 6.035 -4.429 303 HB VAL 42 HB VAL 42 -13.923 6.911 -2.709 304 1HG1 VAL 42 3HG1 VAL 42 -12.041 8.351 -4.551 305 2HG1 VAL 42 2HG1 VAL 42 -13.723 8.872 -4.473 306 3HG1 VAL 42 1HG1 VAL 42 -12.728 8.886 -3.017 307 1HG2 VAL 42 2HG2 VAL 42 -14.501 5.378 -4.580 308 2HG2 VAL 42 1HG2 VAL 42 -15.132 7.003 -4.843 309 3HG2 VAL 42 3HG2 VAL 42 -13.688 6.468 -5.704 310 H VAL 43 H VAL 43 -9.780 7.025 -3.684 311 HA VAL 43 HA VAL 43 -9.556 7.479 -0.738 312 HB VAL 43 HB VAL 43 -7.075 7.432 -2.336 313 1HG1 VAL 43 1HG1 VAL 43 -7.476 7.475 0.241 314 2HG1 VAL 43 3HG1 VAL 43 -7.761 5.743 0.058 315 3HG1 VAL 43 2HG1 VAL 43 -6.204 6.433 -0.400 316 1HG2 VAL 43 3HG2 VAL 43 -8.990 5.142 -2.323 317 2HG2 VAL 43 2HG2 VAL 43 -7.794 5.597 -3.537 318 3HG2 VAL 43 1HG2 VAL 43 -7.285 4.771 -2.064 319 H VAL 44 H VAL 44 -7.360 9.203 -0.732 320 HA VAL 44 HA VAL 44 -8.587 11.609 -1.978 321 HB VAL 44 HB VAL 44 -7.067 12.887 -0.554 322 1HG1 VAL 44 1HG1 VAL 44 -9.255 11.724 0.293 323 2HG1 VAL 44 3HG1 VAL 44 -8.149 10.705 1.212 324 3HG1 VAL 44 2HG1 VAL 44 -8.163 12.449 1.473 325 1HG2 VAL 44 1HG2 VAL 44 -5.851 10.199 -0.226 326 2HG2 VAL 44 3HG2 VAL 44 -5.073 11.776 -0.330 327 3HG2 VAL 44 2HG2 VAL 44 -5.830 11.261 1.181 328 H CYS 45 H CYS 45 -7.879 11.081 -4.173 329 HA CYS 45 HA CYS 45 -4.928 11.328 -4.527 330 1HB CYS 45 2HB CYS 45 -6.839 10.455 -6.689 331 2HB CYS 45 1HB CYS 45 -5.118 10.102 -6.529 332 H THR 46 H THR 46 -4.390 13.406 -4.917 333 HA THR 46 HA THR 46 -6.248 15.075 -6.556 334 HB THR 46 HB THR 46 -5.851 16.062 -4.391 335 HG1 THR 46 HG1 THR 46 -5.691 17.828 -5.486 336 1HG2 THR 46 2HG2 THR 46 -3.020 15.284 -4.984 337 2HG2 THR 46 1HG2 THR 46 -3.319 16.675 -3.943 338 3HG2 THR 46 3HG2 THR 46 -3.944 15.089 -3.496 339 H GLY 47 H GLY 47 -4.967 16.834 -7.833 340 1HA GLY 47 2HA GLY 47 -3.479 17.303 -9.586 341 2HA GLY 47 1HA GLY 47 -2.295 16.338 -8.701 342 H ASP 48 H ASP 48 -5.275 15.813 -10.624 343 HA ASP 48 HA ASP 48 -5.686 14.212 -12.306 344 1HB ASP 48 2HB ASP 48 -2.723 13.598 -12.217 345 2HB ASP 48 1HB ASP 48 -3.838 13.369 -13.565 346 H GLU 49 H GLU 49 -5.142 13.699 -9.278 347 HA GLU 49 HA GLU 49 -5.343 11.876 -7.851 348 1HB GLU 49 2HB GLU 49 -6.194 10.656 -10.475 349 2HB GLU 49 1HB GLU 49 -6.073 9.674 -9.015 350 1HG GLU 49 2HG GLU 49 -7.464 11.667 -7.959 351 2HG GLU 49 1HG GLU 49 -7.951 11.921 -9.636 352 H THR 50 H THR 50 -2.874 12.447 -9.714 353 HA THR 50 HA THR 50 -1.484 9.904 -9.845 354 HB THR 50 HB THR 50 -0.973 12.053 -11.197 355 HG1 THR 50 HG1 THR 50 0.436 10.047 -10.600 356 1HG2 THR 50 3HG2 THR 50 0.415 12.693 -8.580 357 2HG2 THR 50 2HG2 THR 50 0.714 13.534 -10.100 358 3HG2 THR 50 1HG2 THR 50 -0.874 13.625 -9.341 359 H GLN 51 H GLN 51 -1.646 12.591 -7.538 360 HA GLN 51 HA GLN 51 0.123 11.065 -5.693 361 1HB GLN 51 2HB GLN 51 -1.043 13.816 -5.213 362 2HB GLN 51 1HB GLN 51 0.350 13.072 -4.426 363 1HG GLN 51 2HG GLN 51 1.288 12.969 -6.899 364 2HG GLN 51 1HG GLN 51 0.141 14.283 -7.161 365 1HE2 GLN 51 2HE2 GLN 51 2.138 16.666 -5.503 366 2HE2 GLN 51 1HE2 GLN 51 0.765 16.355 -6.452 367 H CYS 52 H CYS 52 -0.806 10.148 -3.825 368 HA CYS 52 HA CYS 52 -3.522 10.959 -3.092 369 1HB CYS 52 2HB CYS 52 -3.719 9.436 -5.101 370 2HB CYS 52 1HB CYS 52 -3.084 8.146 -4.089 371 H TYR 53 H TYR 53 -4.321 9.823 -1.176 372 HA TYR 53 HA TYR 53 -2.329 8.185 0.281 373 1HB TYR 53 2HB TYR 53 -1.703 10.201 1.273 374 2HB TYR 53 1HB TYR 53 -3.307 10.905 1.091 375 HD1 TYR 53 HD2 TYR 53 -5.192 10.085 2.570 376 HD2 TYR 53 HD1 TYR 53 -1.084 9.042 3.278 377 HE1 TYR 53 HE2 TYR 53 -5.759 9.417 4.889 378 HE2 TYR 53 HE1 TYR 53 -1.653 8.371 5.598 379 HH TYR 53 HH TYR 53 -4.350 9.265 7.155 380 H GLY 54 H GLY 54 -3.363 7.272 2.327 381 1HA GLY 54 2HA GLY 54 -5.771 7.096 3.337 382 2HA GLY 54 1HA GLY 54 -6.192 6.569 1.705 383 H THR 55 H THR 55 -6.660 4.394 2.119 384 HA THR 55 HA THR 55 -4.606 2.815 3.591 385 HB THR 55 HB THR 55 -6.349 0.946 3.288 386 HG1 THR 55 HG1 THR 55 -7.408 2.227 1.571 387 1HG2 THR 55 3HG2 THR 55 -6.014 2.732 5.248 388 2HG2 THR 55 2HG2 THR 55 -7.640 3.196 4.749 389 3HG2 THR 55 1HG2 THR 55 -7.317 1.544 5.275 390 H TRP 56 H TRP 56 -3.127 1.803 2.467 391 HA TRP 56 HA TRP 56 -3.656 1.023 -0.363 392 1HB TRP 56 2HB TRP 56 -1.044 1.724 0.971 393 2HB TRP 56 1HB TRP 56 -1.291 1.388 -0.744 394 HD1 TRP 56 HD1 TRP 56 -2.268 3.977 1.929 395 HE1 TRP 56 HE1 TRP 56 -2.777 6.197 0.728 396 HE3 TRP 56 HE3 TRP 56 -1.848 2.435 -2.898 397 HZ2 TRP 56 HZ2 TRP 56 -2.977 7.186 -1.979 398 HZ3 TRP 56 HZ3 TRP 56 -2.208 4.010 -4.772 399 HH2 TRP 56 HH2 TRP 56 -2.768 6.379 -4.324 400 H VAL 57 H VAL 57 -4.461 -1.054 0.846 401 HA VAL 57 HA VAL 57 -2.978 -2.676 2.497 402 HB VAL 57 HB VAL 57 -4.614 -3.465 0.077 403 1HG1 VAL 57 1HG1 VAL 57 -2.929 -5.229 0.590 404 2HG1 VAL 57 3HG1 VAL 57 -3.523 -5.280 2.250 405 3HG1 VAL 57 2HG1 VAL 57 -4.578 -5.761 0.921 406 1HG2 VAL 57 2HG2 VAL 57 -5.102 -2.852 2.912 407 2HG2 VAL 57 1HG2 VAL 57 -6.229 -2.859 1.556 408 3HG2 VAL 57 3HG2 VAL 57 -5.838 -4.365 2.384 409 HA PRO 58 HA PRO 58 0.769 -3.423 0.208 410 1HB PRO 58 2HB PRO 58 1.941 -5.004 2.145 411 2HB PRO 58 1HB PRO 58 1.881 -3.233 2.231 412 1HG PRO 58 2HG PRO 58 0.320 -5.233 3.779 413 2HG PRO 58 1HG PRO 58 0.711 -3.552 4.188 414 1HD PRO 58 2HD PRO 58 -1.779 -4.520 3.185 415 2HD PRO 58 1HD PRO 58 -1.305 -2.823 3.382 416 H ILE 59 H ILE 59 1.322 -5.093 -1.235 417 HA ILE 59 HA ILE 59 0.427 -7.849 -0.621 418 HB ILE 59 HB ILE 59 -0.595 -7.976 -2.948 419 1HG1 ILE 59 2HG1 ILE 59 0.505 -5.620 -3.441 420 2HG1 ILE 59 1HG1 ILE 59 -1.046 -6.043 -4.163 421 1HG2 ILE 59 2HG2 ILE 59 -1.809 -6.357 -0.704 422 2HG2 ILE 59 1HG2 ILE 59 -2.730 -6.785 -2.140 423 3HG2 ILE 59 3HG2 ILE 59 -2.086 -8.052 -1.098 424 1HD1 ILE 59 1HD1 ILE 59 -0.923 -4.637 -1.500 425 2HD1 ILE 59 3HD1 ILE 59 -0.829 -3.728 -3.008 426 3HD1 ILE 59 2HD1 ILE 59 -2.254 -4.703 -2.651 427 H GLY 60 H GLY 60 2.287 -5.651 -2.696 428 1HA GLY 60 2HA GLY 60 3.874 -8.060 -3.490 429 2HA GLY 60 1HA GLY 60 3.432 -6.835 -4.673 430 H LEU 61 H LEU 61 5.966 -7.161 -4.694 431 HA LEU 61 HA LEU 61 7.362 -5.554 -2.671 432 1HB LEU 61 2HB LEU 61 8.501 -6.579 -5.280 433 2HB LEU 61 1HB LEU 61 9.365 -6.203 -3.791 434 HG LEU 61 HG LEU 61 7.431 -8.495 -4.247 435 1HD1 LEU 61 1HD1 LEU 61 10.367 -8.170 -4.172 436 2HD1 LEU 61 3HD1 LEU 61 9.749 -9.520 -3.221 437 3HD1 LEU 61 2HD1 LEU 61 9.391 -9.419 -4.945 438 1HD2 LEU 61 2HD2 LEU 61 8.000 -7.065 -1.840 439 2HD2 LEU 61 1HD2 LEU 61 7.058 -8.542 -2.027 440 3HD2 LEU 61 3HD2 LEU 61 8.794 -8.635 -1.729 441 H ALA 62 H ALA 62 6.069 -5.164 -5.930 442 HA ALA 62 HA ALA 62 5.957 -2.360 -5.782 443 1HB ALA 62 1HB ALA 62 8.620 -3.333 -6.265 444 2HB ALA 62 3HB ALA 62 8.061 -2.421 -7.668 445 3HB ALA 62 2HB ALA 62 8.068 -1.670 -6.072 446 H ILE 63 H ILE 63 4.244 -4.255 -6.907 447 HA ILE 63 HA ILE 63 3.356 -3.155 -9.222 448 HB ILE 63 HB ILE 63 5.852 -4.500 -9.801 449 1HG1 ILE 63 2HG1 ILE 63 5.328 -2.243 -10.520 450 2HG1 ILE 63 1HG1 ILE 63 5.489 -3.249 -11.957 451 1HG2 ILE 63 1HG2 ILE 63 3.389 -5.467 -11.266 452 2HG2 ILE 63 3HG2 ILE 63 4.995 -5.501 -11.993 453 3HG2 ILE 63 2HG2 ILE 63 4.667 -6.437 -10.535 454 1HD1 ILE 63 2HD1 ILE 63 2.763 -3.357 -11.037 455 2HD1 ILE 63 1HD1 ILE 63 3.252 -1.670 -11.192 456 3HD1 ILE 63 3HD1 ILE 63 3.379 -2.756 -12.575 457 HA PRO 64 HA PRO 64 1.818 -7.685 -9.281 458 1HB PRO 64 2HB PRO 64 2.357 -9.176 -7.018 459 2HB PRO 64 1HB PRO 64 3.280 -9.253 -8.531 460 1HG PRO 64 2HG PRO 64 4.011 -7.962 -5.953 461 2HG PRO 64 1HG PRO 64 5.061 -8.582 -7.231 462 1HD PRO 64 2HD PRO 64 4.469 -5.876 -6.775 463 2HD PRO 64 1HD PRO 64 5.200 -6.528 -8.252 464 H GLU 65 H GLU 65 -0.287 -7.847 -8.841 465 HA GLU 65 HA GLU 65 -1.623 -6.092 -7.055 466 1HB GLU 65 2HB GLU 65 -3.632 -7.134 -7.780 467 2HB GLU 65 1HB GLU 65 -2.531 -7.288 -9.149 468 1HG GLU 65 2HG GLU 65 -1.914 -9.561 -7.815 469 2HG GLU 65 1HG GLU 65 -3.607 -9.386 -7.347 470 H ASN 66 H ASN 66 -3.597 -7.883 -5.943 471 HA ASN 66 HA ASN 66 -2.077 -8.795 -3.557 472 1HB ASN 66 2HB ASN 66 -4.121 -8.561 -2.341 473 2HB ASN 66 1HB ASN 66 -4.034 -7.154 -3.405 474 1HD2 ASN 66 2HD2 ASN 66 -7.160 -9.636 -3.759 475 2HD2 ASN 66 1HD2 ASN 66 -6.079 -9.688 -2.450 476 H ALA 67 H ALA 67 -2.366 -10.326 -6.143 477 HA ALA 67 HA ALA 67 -2.954 -12.902 -4.921 478 1HB ALA 67 3HB ALA 67 -4.968 -11.528 -6.607 479 2HB ALA 67 2HB ALA 67 -4.657 -13.214 -7.020 480 3HB ALA 67 1HB ALA 67 -5.188 -12.789 -5.394 481 H ALA 68 H ALA 68 -3.250 -14.438 -7.206 482 HA ALA 68 HA ALA 68 -1.968 -15.378 -8.931 483 1HB ALA 68 1HB ALA 68 -1.544 -12.420 -9.399 484 2HB ALA 68 3HB ALA 68 -0.845 -13.647 -10.456 485 3HB ALA 68 2HB ALA 68 -2.595 -13.521 -10.288 486 H ALA 69 H ALA 69 0.262 -12.674 -8.598 487 HA ALA 69 HA ALA 69 2.530 -14.371 -8.234 488 1HB ALA 69 3HB ALA 69 2.424 -11.886 -8.993 489 2HB ALA 69 2HB ALA 69 2.442 -11.516 -7.269 490 3HB ALA 69 1HB ALA 69 3.789 -12.391 -7.997 491 H HIS 70 HN HIS 70 3.448 -15.213 -6.396 492 HA HIS 70 HA HIS 70 2.072 -14.602 -3.819 493 1HB HIS 70 2HB HIS 70 1.984 -16.958 -4.403 494 2HB HIS 70 1HB HIS 70 3.726 -16.992 -4.684 495 HD1 HIS 70 HD1 HIS 70 1.756 -15.530 -1.759 496 HD2 HIS 70 HD2 HIS 70 4.727 -18.360 -2.499 497 HE1 HIS 70 HE1 HIS 70 2.516 -16.380 0.503 No H/Q in entry = 497 Start of MODEL 4 1 1H GLU 1 1H GLU 1 11.355 -4.417 -1.818 2 2H GLU 1 3H GLU 1 12.325 -3.361 -0.912 3 3H GLU 1 2H GLU 1 12.839 -4.957 -1.187 4 HA GLU 1 HA GLU 1 12.015 -4.730 1.062 5 1HB GLU 1 2HB GLU 1 10.386 -2.854 0.307 6 2HB GLU 1 1HB GLU 1 9.300 -4.176 -0.127 7 1HG GLU 1 2HG GLU 1 8.646 -4.255 2.025 8 2HG GLU 1 1HG GLU 1 10.262 -4.836 2.428 9 H THR 2 H THR 2 11.492 -6.727 1.868 10 HA THR 2 HA THR 2 10.960 -8.906 0.076 11 HB THR 2 HB THR 2 10.313 -9.014 3.014 12 HG1 THR 2 HG1 THR 2 12.937 -9.380 2.137 13 1HG2 THR 2 2HG2 THR 2 10.614 -10.875 0.903 14 2HG2 THR 2 1HG2 THR 2 12.012 -11.090 1.957 15 3HG2 THR 2 3HG2 THR 2 10.382 -11.226 2.615 16 H VAL 3 H VAL 3 8.947 -10.304 0.266 17 HA VAL 3 HA VAL 3 6.586 -8.567 0.122 18 HB VAL 3 HB VAL 3 7.106 -10.559 -1.435 19 1HG1 VAL 3 3HG1 VAL 3 7.499 -12.011 0.730 20 2HG1 VAL 3 2HG1 VAL 3 5.748 -12.214 0.669 21 3HG1 VAL 3 1HG1 VAL 3 6.745 -12.737 -0.689 22 1HG2 VAL 3 2HG2 VAL 3 4.748 -9.362 -0.651 23 2HG2 VAL 3 1HG2 VAL 3 4.906 -10.495 -1.993 24 3HG2 VAL 3 3HG2 VAL 3 4.400 -11.072 -0.405 25 H GLU 4 H GLU 4 7.958 -10.998 2.265 26 HA GLU 4 HA GLU 4 5.655 -11.369 3.942 27 1HB GLU 4 2HB GLU 4 8.575 -11.559 4.726 28 2HB GLU 4 1HB GLU 4 7.214 -12.368 5.508 29 1HG GLU 4 2HG GLU 4 7.482 -12.864 2.600 30 2HG GLU 4 1HG GLU 4 8.771 -13.535 3.600 31 H SER 5 H SER 5 8.392 -9.108 4.032 32 HA SER 5 HA SER 5 7.450 -7.850 6.501 33 1HB SER 5 2HB SER 5 9.841 -7.849 6.054 34 2HB SER 5 1HB SER 5 9.588 -7.072 4.494 35 HG SER 5 HG SER 5 9.458 -6.026 7.079 36 H CYS 6 H CYS 6 7.612 -6.906 3.055 37 HA CYS 6 HA CYS 6 6.389 -4.384 3.287 38 1HB CYS 6 2HB CYS 6 7.161 -4.913 1.120 39 2HB CYS 6 1HB CYS 6 6.362 -6.478 1.116 40 H LEU 7 H LEU 7 5.077 -7.571 3.677 41 HA LEU 7 HA LEU 7 2.301 -6.548 3.650 42 1HB LEU 7 2HB LEU 7 3.385 -9.341 4.093 43 2HB LEU 7 1HB LEU 7 1.677 -8.918 3.974 44 HG LEU 7 HG LEU 7 3.655 -8.237 1.790 45 1HD1 LEU 7 3HD1 LEU 7 1.958 -10.729 2.139 46 2HD1 LEU 7 2HD1 LEU 7 2.710 -10.258 0.616 47 3HD1 LEU 7 1HD1 LEU 7 3.715 -10.653 2.010 48 1HD2 LEU 7 1HD2 LEU 7 0.899 -7.671 2.311 49 2HD2 LEU 7 3HD2 LEU 7 1.849 -7.232 0.891 50 3HD2 LEU 7 2HD2 LEU 7 0.975 -8.763 0.929 51 H ALA 8 H ALA 8 4.814 -7.594 5.840 52 HA ALA 8 HA ALA 8 3.206 -7.873 8.206 53 1HB ALA 8 2HB ALA 8 5.909 -8.144 7.594 54 2HB ALA 8 1HB ALA 8 5.872 -6.743 8.665 55 3HB ALA 8 3HB ALA 8 5.204 -8.284 9.205 56 H LYS 9 H LYS 9 4.054 -5.251 6.261 57 HA LYS 9 HA LYS 9 4.335 -2.995 7.818 58 1HB LYS 9 2HB LYS 9 2.709 -3.520 5.307 59 2HB LYS 9 1HB LYS 9 3.093 -1.903 5.880 60 1HG LYS 9 2HG LYS 9 5.528 -2.557 5.871 61 2HG LYS 9 1HG LYS 9 5.051 -4.054 5.072 62 1HD LYS 9 2HD LYS 9 4.924 -3.020 3.087 63 2HD LYS 9 1HD LYS 9 3.847 -1.790 3.745 64 1HE LYS 9 2HE LYS 9 5.978 -0.826 2.862 65 2HE LYS 9 1HE LYS 9 5.751 -0.513 4.583 66 1HZ LYS 9 1HZ LYS 9 7.025 -2.934 4.465 67 2HZ LYS 9 3HZ LYS 9 7.797 -2.004 3.274 68 3HZ LYS 9 2HZ LYS 9 7.728 -1.443 4.878 69 HA PRO 10 HA PRO 10 0.573 -2.320 10.011 70 1HB PRO 10 2HB PRO 10 -0.271 0.216 9.330 71 2HB PRO 10 1HB PRO 10 1.083 -0.121 10.424 72 1HG PRO 10 2HG PRO 10 1.142 0.811 7.592 73 2HG PRO 10 1HG PRO 10 2.330 1.062 8.883 74 1HD PRO 10 2HD PRO 10 2.545 -0.798 6.791 75 2HD PRO 10 1HD PRO 10 3.529 -0.802 8.267 76 H HIS 11 H HIS 11 0.501 -2.569 6.710 77 HA HIS 11 HA HIS 11 -1.127 -3.405 5.292 78 1HB HIS 11 2HB HIS 11 -2.224 -3.858 7.925 79 2HB HIS 11 1HB HIS 11 -3.498 -3.473 6.760 80 HD1 HIS 11 HD1 HIS 11 -4.398 -5.634 5.907 81 HD2 HIS 11 HD2 HIS 11 -0.242 -5.746 6.255 82 HE1 HIS 11 HE1 HIS 11 -3.662 -7.876 4.988 83 H THR 12 H THR 12 -1.027 -1.302 4.216 84 HA THR 12 HA THR 12 -2.341 0.186 2.999 85 HB THR 12 HB THR 12 -4.211 -1.365 4.225 86 HG1 THR 12 HG1 THR 12 -5.549 -0.584 2.695 87 1HG2 THR 12 1HG2 THR 12 -4.778 1.516 4.932 88 2HG2 THR 12 3HG2 THR 12 -6.008 0.255 4.922 89 3HG2 THR 12 2HG2 THR 12 -4.661 0.159 6.047 90 H GLU 13 H GLU 13 -3.031 0.807 6.494 91 HA GLU 13 HA GLU 13 -3.336 3.547 6.274 92 1HB GLU 13 2HB GLU 13 -3.277 2.061 8.423 93 2HB GLU 13 1HB GLU 13 -1.562 2.477 8.468 94 1HG GLU 13 2HG GLU 13 -1.966 4.654 9.021 95 2HG GLU 13 1HG GLU 13 -3.400 4.754 7.997 96 H ASN 14 H ASN 14 -2.145 4.602 4.788 97 HA ASN 14 HA ASN 14 0.317 5.766 5.316 98 1HB ASN 14 2HB ASN 14 0.616 2.979 4.597 99 2HB ASN 14 1HB ASN 14 1.349 3.994 3.355 100 1HD2 ASN 14 2HD2 ASN 14 3.555 3.374 6.509 101 2HD2 ASN 14 1HD2 ASN 14 2.450 2.305 5.789 102 H SER 15 H SER 15 1.438 5.606 2.604 103 HA SER 15 HA SER 15 -0.610 5.900 0.643 104 1HB SER 15 2HB SER 15 -0.412 8.446 0.445 105 2HB SER 15 1HB SER 15 -1.360 7.842 1.800 106 HG SER 15 HG SER 15 0.991 9.236 1.772 107 H PHE 16 H PHE 16 0.394 7.683 -1.085 108 HA PHE 16 HA PHE 16 3.237 7.778 -1.301 109 1HB PHE 16 2HB PHE 16 2.811 5.279 -1.524 110 2HB PHE 16 1HB PHE 16 1.953 5.640 -3.023 111 HD1 PHE 16 HD2 PHE 16 3.148 6.790 -4.884 112 HD2 PHE 16 HD1 PHE 16 5.204 5.285 -1.435 113 HE1 PHE 16 HE2 PHE 16 5.288 6.925 -6.113 114 HE2 PHE 16 HE1 PHE 16 7.357 5.408 -2.664 115 HZ PHE 16 HZ PHE 16 7.401 6.228 -5.006 116 H THR 17 H THR 17 3.819 8.971 -3.242 117 HA THR 17 HA THR 17 1.433 10.000 -4.701 118 HB THR 17 HB THR 17 2.370 11.954 -4.025 119 HG1 THR 17 HG1 THR 17 3.911 12.693 -5.585 120 1HG2 THR 17 2HG2 THR 17 5.048 10.526 -3.973 121 2HG2 THR 17 1HG2 THR 17 4.794 12.201 -3.483 122 3HG2 THR 17 3HG2 THR 17 4.029 10.893 -2.580 123 H ASN 18 H ASN 18 1.815 10.543 -7.057 124 HA ASN 18 HA ASN 18 2.560 9.910 -9.215 125 1HB ASN 18 2HB ASN 18 4.853 9.669 -7.776 126 2HB ASN 18 1HB ASN 18 4.574 7.977 -8.187 127 1HD2 ASN 18 2HD2 ASN 18 5.552 10.639 -11.136 128 2HD2 ASN 18 1HD2 ASN 18 5.153 11.198 -9.585 129 H VAL 19 H VAL 19 0.843 8.427 -7.147 130 HA VAL 19 HA VAL 19 0.766 5.712 -7.221 131 HB VAL 19 HB VAL 19 -1.695 7.313 -7.930 132 1HG1 VAL 19 3HG1 VAL 19 -1.074 4.721 -6.553 133 2HG1 VAL 19 2HG1 VAL 19 -2.518 5.616 -6.081 134 3HG1 VAL 19 1HG1 VAL 19 -2.319 5.081 -7.749 135 1HG2 VAL 19 2HG2 VAL 19 -0.104 7.228 -5.367 136 2HG2 VAL 19 1HG2 VAL 19 -0.769 8.630 -6.204 137 3HG2 VAL 19 3HG2 VAL 19 -1.842 7.525 -5.344 138 H TRP 20 H TRP 20 -0.118 4.093 -8.596 139 HA TRP 20 HA TRP 20 -0.600 4.887 -11.424 140 1HB TRP 20 2HB TRP 20 1.151 3.696 -12.254 141 2HB TRP 20 1HB TRP 20 1.775 3.662 -10.610 142 HD1 TRP 20 HD1 TRP 20 -0.398 1.537 -12.999 143 HE1 TRP 20 HE1 TRP 20 -0.253 -0.927 -12.261 144 HE3 TRP 20 HE3 TRP 20 2.433 2.059 -8.788 145 HZ2 TRP 20 HZ2 TRP 20 0.949 -2.475 -10.180 146 HZ3 TRP 20 HZ3 TRP 20 3.075 0.078 -7.457 147 HH2 TRP 20 HH2 TRP 20 2.332 -2.188 -8.145 148 H LYS 21 H LYS 21 -1.580 2.855 -12.595 149 HA LYS 21 HA LYS 21 -3.151 1.183 -10.715 150 1HB LYS 21 2HB LYS 21 -4.600 3.120 -11.238 151 2HB LYS 21 1HB LYS 21 -4.404 2.793 -12.962 152 1HG LYS 21 2HG LYS 21 -5.205 0.419 -11.457 153 2HG LYS 21 1HG LYS 21 -6.385 1.726 -11.334 154 1HD LYS 21 2HD LYS 21 -5.658 1.751 -14.020 155 2HD LYS 21 1HD LYS 21 -5.727 0.034 -13.623 156 1HE LYS 21 2HE LYS 21 -7.934 0.793 -14.353 157 2HE LYS 21 1HE LYS 21 -7.986 0.376 -12.641 158 1HZ LYS 21 1HZ LYS 21 -7.309 2.946 -12.511 159 2HZ LYS 21 3HZ LYS 21 -8.245 2.963 -13.925 160 3HZ LYS 21 2HZ LYS 21 -8.916 2.397 -12.471 161 H ASP 22 H ASP 22 -3.128 -0.896 -11.431 162 HA ASP 22 HA ASP 22 -2.295 -1.344 -14.253 163 1HB ASP 22 2HB ASP 22 -1.384 -2.402 -11.778 164 2HB ASP 22 1HB ASP 22 -2.199 -3.712 -12.629 165 H ASP 23 H ASP 23 -3.690 -2.365 -15.605 166 HA ASP 23 HA ASP 23 -6.369 -3.049 -14.657 167 1HB ASP 23 2HB ASP 23 -6.129 -2.109 -16.899 168 2HB ASP 23 1HB ASP 23 -5.013 -3.400 -17.356 169 H LYS 24 H LYS 24 -3.339 -4.604 -15.160 170 HA LYS 24 HA LYS 24 -4.357 -7.336 -15.310 171 1HB LYS 24 2HB LYS 24 -1.676 -6.008 -15.009 172 2HB LYS 24 1HB LYS 24 -1.830 -7.721 -14.605 173 1HG LYS 24 2HG LYS 24 -2.574 -8.275 -16.812 174 2HG LYS 24 1HG LYS 24 -2.804 -6.576 -17.231 175 1HD LYS 24 2HD LYS 24 -0.336 -6.228 -16.916 176 2HD LYS 24 1HD LYS 24 -0.166 -7.970 -16.693 177 1HE LYS 24 2HE LYS 24 -1.422 -6.715 -19.148 178 2HE LYS 24 1HE LYS 24 0.276 -7.178 -19.051 179 1HZ LYS 24 2HZ LYS 24 -1.289 -9.313 -18.132 180 2HZ LYS 24 1HZ LYS 24 -1.920 -8.804 -19.624 181 3HZ LYS 24 3HZ LYS 24 -0.289 -9.254 -19.505 182 H THR 25 H THR 25 -2.521 -5.478 -12.891 183 HA THR 25 HA THR 25 -2.909 -7.284 -10.723 184 HB THR 25 HB THR 25 -2.325 -5.387 -9.279 185 HG1 THR 25 HG1 THR 25 -3.726 -3.909 -10.439 186 1HG2 THR 25 3HG2 THR 25 -0.724 -6.406 -11.203 187 2HG2 THR 25 2HG2 THR 25 -0.712 -4.705 -11.674 188 3HG2 THR 25 1HG2 THR 25 -0.189 -5.177 -10.058 189 H LEU 26 H LEU 26 -4.888 -4.872 -12.241 190 HA LEU 26 HA LEU 26 -7.174 -4.389 -12.001 191 1HB LEU 26 2HB LEU 26 -6.825 -7.092 -10.878 192 2HB LEU 26 1HB LEU 26 -8.232 -6.227 -10.257 193 HG LEU 26 HG LEU 26 -7.584 -6.520 -13.204 194 1HD1 LEU 26 1HD1 LEU 26 -8.639 -8.436 -11.391 195 2HD1 LEU 26 3HD1 LEU 26 -9.988 -7.858 -12.368 196 3HD1 LEU 26 2HD1 LEU 26 -8.564 -8.545 -13.149 197 1HD2 LEU 26 3HD2 LEU 26 -9.927 -5.404 -11.643 198 2HD2 LEU 26 2HD2 LEU 26 -8.913 -4.563 -12.816 199 3HD2 LEU 26 1HD2 LEU 26 -10.032 -5.814 -13.355 200 H ASP 27 H ASP 27 -5.750 -2.702 -10.554 201 HA ASP 27 HA ASP 27 -7.371 -1.884 -8.409 202 1HB ASP 27 2HB ASP 27 -5.855 -4.207 -7.750 203 2HB ASP 27 1HB ASP 27 -5.181 -2.857 -6.839 204 H ARG 28 H ARG 28 -6.281 -0.215 -7.000 205 HA ARG 28 HA ARG 28 -4.252 1.222 -8.570 206 1HB ARG 28 2HB ARG 28 -6.246 2.154 -7.048 207 2HB ARG 28 1HB ARG 28 -5.012 2.053 -5.793 208 1HG ARG 28 2HG ARG 28 -4.543 4.171 -6.580 209 2HG ARG 28 1HG ARG 28 -3.537 3.239 -7.689 210 1HD ARG 28 2HD ARG 28 -5.432 3.197 -9.313 211 2HD ARG 28 1HD ARG 28 -6.351 4.233 -8.221 212 HE ARG 28 HE ARG 28 -3.917 5.560 -8.663 213 1HH1 ARG 28 1HH2 ARG 28 -6.697 6.575 -9.396 214 2HH1 ARG 28 2HH2 ARG 28 -6.526 6.813 -11.104 215 1HH2 ARG 28 2HH1 ARG 28 -3.631 4.921 -11.346 216 2HH2 ARG 28 1HH1 ARG 28 -4.790 5.877 -12.207 217 H TYR 29 H TYR 29 -2.092 1.692 -7.685 218 HA TYR 29 HA TYR 29 -1.322 0.113 -5.307 219 1HB TYR 29 2HB TYR 29 -0.202 -0.362 -8.077 220 2HB TYR 29 1HB TYR 29 0.571 -0.934 -6.602 221 HD1 TYR 29 HD1 TYR 29 -2.417 -1.232 -8.750 222 HD2 TYR 29 HD2 TYR 29 -0.348 -2.760 -5.313 223 HE1 TYR 29 HE1 TYR 29 -3.929 -3.201 -8.716 224 HE2 TYR 29 HE2 TYR 29 -1.855 -4.729 -5.278 225 HH TYR 29 HH TYR 29 -3.950 -5.483 -7.881 226 H ALA 30 H ALA 30 0.666 0.764 -4.393 227 HA ALA 30 HA ALA 30 1.816 3.274 -5.555 228 1HB ALA 30 2HB ALA 30 1.040 2.573 -2.737 229 2HB ALA 30 1HB ALA 30 2.368 3.701 -3.014 230 3HB ALA 30 3HB ALA 30 0.757 4.068 -3.629 231 H ASN 31 H ASN 31 3.725 2.543 -6.420 232 HA ASN 31 HA ASN 31 5.245 0.349 -5.341 233 1HB ASN 31 2HB ASN 31 7.054 1.223 -6.874 234 2HB ASN 31 1HB ASN 31 5.511 0.920 -7.671 235 1HD2 ASN 31 2HD2 ASN 31 6.468 4.266 -8.846 236 2HD2 ASN 31 1HD2 ASN 31 6.923 2.652 -9.108 237 H TYR 32 H TYR 32 5.756 0.694 -3.176 238 HA TYR 32 HA TYR 32 7.068 3.198 -2.355 239 1HB TYR 32 2HB TYR 32 5.470 2.070 -0.836 240 2HB TYR 32 1HB TYR 32 6.519 0.653 -0.794 241 HD1 TYR 32 HD1 TYR 32 7.627 4.201 -0.869 242 HD2 TYR 32 HD2 TYR 32 7.157 0.654 1.508 243 HE1 TYR 32 HE1 TYR 32 8.963 5.240 0.944 244 HE2 TYR 32 HE2 TYR 32 8.493 1.692 3.322 245 HH TYR 32 HH TYR 32 10.168 4.733 2.856 246 H GLU 33 H GLU 33 8.664 2.256 -4.232 247 HA GLU 33 HA GLU 33 10.690 1.103 -4.751 248 1HB GLU 33 2HB GLU 33 10.939 3.310 -2.920 249 2HB GLU 33 1HB GLU 33 12.212 2.132 -2.601 250 1HG GLU 33 2HG GLU 33 13.074 3.596 -4.287 251 2HG GLU 33 1HG GLU 33 12.640 2.098 -5.112 252 H GLY 34 H GLY 34 10.003 -1.108 -4.150 253 1HA GLY 34 2HA GLY 34 11.371 -2.937 -3.085 254 2HA GLY 34 1HA GLY 34 11.296 -1.986 -1.601 255 H CYS 35 H CYS 35 8.658 -1.251 -1.473 256 HA CYS 35 HA CYS 35 7.280 -3.905 -1.313 257 1HB CYS 35 2HB CYS 35 7.499 -3.108 0.904 258 2HB CYS 35 1HB CYS 35 7.180 -1.444 0.428 259 H LEU 36 H LEU 36 4.908 -3.810 -1.715 260 HA LEU 36 HA LEU 36 4.149 -1.509 -3.453 261 1HB LEU 36 2HB LEU 36 4.659 -3.464 -4.853 262 2HB LEU 36 1HB LEU 36 3.508 -4.431 -3.932 263 HG LEU 36 HG LEU 36 1.813 -2.556 -4.519 264 1HD1 LEU 36 3HD1 LEU 36 3.833 -1.179 -5.418 265 2HD1 LEU 36 2HD1 LEU 36 3.646 -2.160 -6.869 266 3HD1 LEU 36 1HD1 LEU 36 2.319 -1.146 -6.312 267 1HD2 LEU 36 3HD2 LEU 36 2.693 -4.923 -5.912 268 2HD2 LEU 36 2HD2 LEU 36 1.063 -4.261 -5.788 269 3HD2 LEU 36 1HD2 LEU 36 2.135 -3.727 -7.083 270 H TRP 37 H TRP 37 2.467 -0.491 -2.527 271 HA TRP 37 HA TRP 37 0.638 -2.004 -0.759 272 1HB TRP 37 2HB TRP 37 0.561 0.961 -1.402 273 2HB TRP 37 1HB TRP 37 -0.214 0.124 -0.065 274 HD1 TRP 37 HD1 TRP 37 3.371 0.785 -1.348 275 HE1 TRP 37 HE1 TRP 37 4.916 0.965 0.711 276 HE3 TRP 37 HE3 TRP 37 0.024 -0.249 2.366 277 HZ2 TRP 37 HZ2 TRP 37 4.745 0.703 3.555 278 HZ3 TRP 37 HZ3 TRP 37 0.730 -0.287 4.729 279 HH2 TRP 37 HH2 TRP 37 3.093 0.194 5.334 280 H ASN 38 H ASN 38 -1.799 -1.196 -1.093 281 HA ASN 38 HA ASN 38 -2.424 -1.015 -3.990 282 1HB ASN 38 2HB ASN 38 -2.723 -3.294 -3.924 283 2HB ASN 38 1HB ASN 38 -2.967 -3.313 -2.184 284 1HD2 ASN 38 2HD2 ASN 38 -6.266 -2.267 -4.407 285 2HD2 ASN 38 1HD2 ASN 38 -4.750 -1.649 -4.846 286 H ALA 39 H ALA 39 -3.821 0.630 -4.223 287 HA ALA 39 HA ALA 39 -5.477 1.486 -1.921 288 1HB ALA 39 1HB ALA 39 -4.264 2.790 -4.195 289 2HB ALA 39 3HB ALA 39 -5.999 3.108 -4.181 290 3HB ALA 39 2HB ALA 39 -5.015 3.519 -2.776 291 H THR 40 H THR 40 -7.636 1.066 -1.829 292 HA THR 40 HA THR 40 -8.837 -0.681 -3.812 293 HB THR 40 HB THR 40 -10.642 -0.854 -2.322 294 HG1 THR 40 HG1 THR 40 -11.166 0.809 -0.885 295 1HG2 THR 40 1HG2 THR 40 -8.053 -0.923 -1.296 296 2HG2 THR 40 3HG2 THR 40 -8.950 0.034 -0.115 297 3HG2 THR 40 2HG2 THR 40 -9.491 -1.594 -0.526 298 H GLY 41 H GLY 41 -9.699 2.618 -2.689 299 1HA GLY 41 2HA GLY 41 -10.090 3.648 -5.323 300 2HA GLY 41 1HA GLY 41 -11.647 3.117 -4.686 301 H VAL 42 H VAL 42 -11.847 3.857 -2.202 302 HA VAL 42 HA VAL 42 -12.032 6.712 -2.241 303 HB VAL 42 HB VAL 42 -12.052 4.776 0.097 304 1HG1 VAL 42 1HG1 VAL 42 -12.317 7.732 -0.104 305 2HG1 VAL 42 3HG1 VAL 42 -13.469 6.908 0.946 306 3HG1 VAL 42 2HG1 VAL 42 -11.738 6.742 1.235 307 1HG2 VAL 42 3HG2 VAL 42 -13.861 5.014 -1.953 308 2HG2 VAL 42 2HG2 VAL 42 -14.267 4.463 -0.327 309 3HG2 VAL 42 1HG2 VAL 42 -14.515 6.151 -0.775 310 H VAL 43 H VAL 43 -9.919 7.499 -2.787 311 HA VAL 43 HA VAL 43 -8.057 7.520 -0.468 312 HB VAL 43 HB VAL 43 -7.150 7.060 -3.326 313 1HG1 VAL 43 2HG1 VAL 43 -5.649 8.249 -1.604 314 2HG1 VAL 43 1HG1 VAL 43 -5.591 6.699 -0.765 315 3HG1 VAL 43 3HG1 VAL 43 -4.972 6.836 -2.410 316 1HG2 VAL 43 1HG2 VAL 43 -7.524 5.143 -1.006 317 2HG2 VAL 43 3HG2 VAL 43 -8.271 5.051 -2.601 318 3HG2 VAL 43 2HG2 VAL 43 -6.540 4.766 -2.421 319 H VAL 44 H VAL 44 -7.521 9.613 -0.023 320 HA VAL 44 HA VAL 44 -8.452 11.845 -1.452 321 HB VAL 44 HB VAL 44 -6.017 11.537 0.324 322 1HG1 VAL 44 1HG1 VAL 44 -6.670 13.683 -1.455 323 2HG1 VAL 44 3HG1 VAL 44 -6.939 14.236 0.199 324 3HG1 VAL 44 2HG1 VAL 44 -5.361 13.603 -0.275 325 1HG2 VAL 44 1HG2 VAL 44 -8.573 11.344 1.051 326 2HG2 VAL 44 3HG2 VAL 44 -7.405 12.198 2.060 327 3HG2 VAL 44 2HG2 VAL 44 -8.479 13.104 0.995 328 H CYS 45 H CYS 45 -8.070 11.959 -3.656 329 HA CYS 45 HA CYS 45 -5.240 11.641 -4.548 330 1HB CYS 45 2HB CYS 45 -7.876 11.054 -5.792 331 2HB CYS 45 1HB CYS 45 -6.606 11.642 -6.867 332 H THR 46 H THR 46 -4.258 13.258 -5.714 333 HA THR 46 HA THR 46 -5.808 15.715 -6.326 334 HB THR 46 HB THR 46 -4.785 16.056 -4.094 335 HG1 THR 46 HG1 THR 46 -4.879 17.763 -5.686 336 1HG2 THR 46 3HG2 THR 46 -2.214 15.451 -5.578 337 2HG2 THR 46 2HG2 THR 46 -2.296 16.106 -3.942 338 3HG2 THR 46 1HG2 THR 46 -2.926 14.494 -4.279 339 H GLY 47 H GLY 47 -4.823 16.980 -8.014 340 1HA GLY 47 2HA GLY 47 -3.455 17.343 -9.899 341 2HA GLY 47 1HA GLY 47 -2.290 16.216 -9.201 342 H ASP 48 H ASP 48 -5.660 15.961 -10.400 343 HA ASP 48 HA ASP 48 -6.605 14.404 -11.885 344 1HB ASP 48 2HB ASP 48 -3.714 14.077 -12.749 345 2HB ASP 48 1HB ASP 48 -5.110 13.435 -13.612 346 H GLU 49 H GLU 49 -5.073 13.745 -9.230 347 HA GLU 49 HA GLU 49 -5.114 11.835 -7.883 348 1HB GLU 49 2HB GLU 49 -5.743 10.207 -10.351 349 2HB GLU 49 1HB GLU 49 -6.031 9.776 -8.667 350 1HG GLU 49 2HG GLU 49 -8.003 10.861 -8.634 351 2HG GLU 49 1HG GLU 49 -7.286 12.314 -9.332 352 H THR 50 H THR 50 -2.831 12.891 -9.461 353 HA THR 50 HA THR 50 -1.212 10.595 -10.224 354 HB THR 50 HB THR 50 0.624 12.538 -9.781 355 HG1 THR 50 HG1 THR 50 -1.282 13.807 -8.983 356 1HG2 THR 50 3HG2 THR 50 -0.460 11.359 -11.949 357 2HG2 THR 50 2HG2 THR 50 -1.078 12.995 -12.172 358 3HG2 THR 50 1HG2 THR 50 0.660 12.717 -12.063 359 H GLN 51 H GLN 51 -1.648 12.621 -7.372 360 HA GLN 51 HA GLN 51 0.074 10.711 -5.833 361 1HB GLN 51 2HB GLN 51 -0.653 13.528 -4.994 362 2HB GLN 51 1HB GLN 51 0.611 12.492 -4.330 363 1HG GLN 51 2HG GLN 51 1.977 13.659 -5.732 364 2HG GLN 51 1HG GLN 51 1.334 12.571 -6.964 365 1HE2 GLN 51 2HE2 GLN 51 0.836 16.229 -7.928 366 2HE2 GLN 51 1HE2 GLN 51 2.200 15.399 -7.353 367 H CYS 52 H CYS 52 -0.904 9.768 -3.969 368 HA CYS 52 HA CYS 52 -3.562 10.787 -3.189 369 1HB CYS 52 2HB CYS 52 -3.434 8.780 -5.063 370 2HB CYS 52 1HB CYS 52 -3.585 7.869 -3.562 371 H TYR 53 H TYR 53 -4.397 9.731 -1.213 372 HA TYR 53 HA TYR 53 -2.412 8.196 0.341 373 1HB TYR 53 2HB TYR 53 -1.731 10.093 1.403 374 2HB TYR 53 1HB TYR 53 -3.100 11.020 0.805 375 HD1 TYR 53 HD1 TYR 53 -2.314 8.302 3.290 376 HD2 TYR 53 HD2 TYR 53 -4.735 11.715 2.317 377 HE1 TYR 53 HE1 TYR 53 -3.381 8.176 5.525 378 HE2 TYR 53 HE2 TYR 53 -5.801 11.593 4.551 379 HH TYR 53 HH TYR 53 -6.114 9.402 6.323 380 H GLY 54 H GLY 54 -3.391 7.143 2.213 381 1HA GLY 54 2HA GLY 54 -5.796 7.127 3.356 382 2HA GLY 54 1HA GLY 54 -6.262 6.573 1.745 383 H THR 55 H THR 55 -6.673 4.398 2.032 384 HA THR 55 HA THR 55 -4.675 2.820 3.591 385 HB THR 55 HB THR 55 -6.445 0.966 3.278 386 HG1 THR 55 HG1 THR 55 -8.258 3.055 2.912 387 1HG2 THR 55 3HG2 THR 55 -6.069 2.833 5.217 388 2HG2 THR 55 2HG2 THR 55 -7.748 3.154 4.782 389 3HG2 THR 55 1HG2 THR 55 -7.266 1.544 5.316 390 H TRP 56 H TRP 56 -3.217 1.729 2.498 391 HA TRP 56 HA TRP 56 -3.747 0.937 -0.331 392 1HB TRP 56 2HB TRP 56 -1.124 1.616 0.992 393 2HB TRP 56 1HB TRP 56 -1.384 1.280 -0.724 394 HD1 TRP 56 HD1 TRP 56 -2.378 3.855 1.959 395 HE1 TRP 56 HE1 TRP 56 -2.869 6.085 0.771 396 HE3 TRP 56 HE3 TRP 56 -1.870 2.367 -2.879 397 HZ2 TRP 56 HZ2 TRP 56 -3.026 7.103 -1.922 398 HZ3 TRP 56 HZ3 TRP 56 -2.198 3.965 -4.742 399 HH2 TRP 56 HH2 TRP 56 -2.774 6.334 -4.269 400 H VAL 57 H VAL 57 -4.567 -1.127 0.847 401 HA VAL 57 HA VAL 57 -3.137 -2.774 2.530 402 HB VAL 57 HB VAL 57 -4.577 -3.687 0.012 403 1HG1 VAL 57 1HG1 VAL 57 -3.010 -5.210 1.682 404 2HG1 VAL 57 3HG1 VAL 57 -4.593 -5.362 2.446 405 3HG1 VAL 57 2HG1 VAL 57 -4.379 -5.832 0.759 406 1HG2 VAL 57 1HG2 VAL 57 -5.461 -2.511 2.535 407 2HG2 VAL 57 3HG2 VAL 57 -6.388 -2.837 1.069 408 3HG2 VAL 57 2HG2 VAL 57 -6.169 -4.106 2.274 409 HA PRO 58 HA PRO 58 0.642 -3.531 0.297 410 1HB PRO 58 2HB PRO 58 1.782 -5.119 2.247 411 2HB PRO 58 1HB PRO 58 1.748 -3.348 2.318 412 1HG PRO 58 2HG PRO 58 0.149 -5.315 3.874 413 2HG PRO 58 1HG PRO 58 0.564 -3.636 4.274 414 1HD PRO 58 2HD PRO 58 -1.937 -4.569 3.267 415 2HD PRO 58 1HD PRO 58 -1.434 -2.878 3.440 416 H ILE 59 H ILE 59 1.208 -5.198 -1.138 417 HA ILE 59 HA ILE 59 0.182 -7.927 -0.577 418 HB ILE 59 HB ILE 59 -0.673 -8.042 -2.946 419 1HG1 ILE 59 2HG1 ILE 59 0.677 -5.881 -3.517 420 2HG1 ILE 59 1HG1 ILE 59 -0.899 -6.121 -4.264 421 1HG2 ILE 59 2HG2 ILE 59 -2.153 -7.732 -0.956 422 2HG2 ILE 59 1HG2 ILE 59 -2.030 -5.987 -1.176 423 3HG2 ILE 59 3HG2 ILE 59 -2.801 -6.979 -2.413 424 1HD1 ILE 59 2HD1 ILE 59 -1.862 -4.755 -2.318 425 2HD1 ILE 59 1HD1 ILE 59 -0.200 -4.310 -1.946 426 3HD1 ILE 59 3HD1 ILE 59 -0.902 -3.868 -3.497 427 H GLY 60 H GLY 60 2.375 -5.829 -2.433 428 1HA GLY 60 2HA GLY 60 3.921 -8.320 -3.002 429 2HA GLY 60 1HA GLY 60 3.558 -7.214 -4.319 430 H LEU 61 H LEU 61 5.832 -6.967 -4.649 431 HA LEU 61 HA LEU 61 7.268 -5.473 -2.516 432 1HB LEU 61 2HB LEU 61 8.531 -6.482 -5.056 433 2HB LEU 61 1HB LEU 61 9.278 -6.208 -3.480 434 HG LEU 61 HG LEU 61 7.166 -8.324 -3.985 435 1HD1 LEU 61 3HD1 LEU 61 9.925 -8.297 -4.756 436 2HD1 LEU 61 2HD1 LEU 61 9.730 -9.445 -3.432 437 3HD1 LEU 61 1HD1 LEU 61 8.764 -9.616 -4.897 438 1HD2 LEU 61 2HD2 LEU 61 8.171 -7.183 -1.629 439 2HD2 LEU 61 1HD2 LEU 61 7.271 -8.694 -1.759 440 3HD2 LEU 61 3HD2 LEU 61 9.034 -8.714 -1.785 441 H ALA 62 H ALA 62 6.024 -5.173 -5.813 442 HA ALA 62 HA ALA 62 5.888 -2.373 -5.737 443 1HB ALA 62 2HB ALA 62 8.550 -3.415 -6.665 444 2HB ALA 62 1HB ALA 62 7.915 -1.892 -7.289 445 3HB ALA 62 3HB ALA 62 8.202 -2.084 -5.559 446 H ILE 63 H ILE 63 4.208 -4.192 -6.898 447 HA ILE 63 HA ILE 63 3.428 -3.173 -9.266 448 HB ILE 63 HB ILE 63 5.928 -4.583 -9.743 449 1HG1 ILE 63 2HG1 ILE 63 5.540 -2.307 -10.478 450 2HG1 ILE 63 1HG1 ILE 63 5.679 -3.317 -11.914 451 1HG2 ILE 63 1HG2 ILE 63 4.417 -6.421 -10.457 452 2HG2 ILE 63 3HG2 ILE 63 3.583 -5.299 -11.532 453 3HG2 ILE 63 2HG2 ILE 63 5.273 -5.709 -11.822 454 1HD1 ILE 63 3HD1 ILE 63 2.939 -3.353 -11.157 455 2HD1 ILE 63 2HD1 ILE 63 3.461 -1.668 -11.087 456 3HD1 ILE 63 1HD1 ILE 63 3.649 -2.589 -12.580 457 HA PRO 64 HA PRO 64 1.878 -7.695 -9.261 458 1HB PRO 64 2HB PRO 64 2.406 -9.160 -6.979 459 2HB PRO 64 1HB PRO 64 3.352 -9.248 -8.479 460 1HG PRO 64 2HG PRO 64 4.034 -7.917 -5.907 461 2HG PRO 64 1HG PRO 64 5.110 -8.556 -7.155 462 1HD PRO 64 2HD PRO 64 4.505 -5.846 -6.754 463 2HD PRO 64 1HD PRO 64 5.255 -6.523 -8.211 464 H GLU 65 H GLU 65 -0.198 -8.159 -8.610 465 HA GLU 65 HA GLU 65 -1.466 -6.273 -6.799 466 1HB GLU 65 2HB GLU 65 -3.542 -7.307 -7.496 467 2HB GLU 65 1HB GLU 65 -2.510 -7.162 -8.915 468 1HG GLU 65 2HG GLU 65 -2.161 -9.428 -9.075 469 2HG GLU 65 1HG GLU 65 -2.290 -9.682 -7.335 470 H ASN 66 H ASN 66 -3.480 -8.310 -5.921 471 HA ASN 66 HA ASN 66 -2.062 -9.138 -3.469 472 1HB ASN 66 2HB ASN 66 -4.360 -7.966 -3.564 473 2HB ASN 66 1HB ASN 66 -4.990 -9.530 -4.084 474 1HD2 ASN 66 2HD2 ASN 66 -5.075 -9.271 -0.303 475 2HD2 ASN 66 1HD2 ASN 66 -5.657 -8.257 -1.534 476 H ALA 67 H ALA 67 -3.595 -10.551 -6.305 477 HA ALA 67 HA ALA 67 -3.213 -13.277 -5.186 478 1HB ALA 67 1HB ALA 67 -5.147 -12.128 -6.880 479 2HB ALA 67 3HB ALA 67 -4.208 -13.213 -7.905 480 3HB ALA 67 2HB ALA 67 -4.992 -13.832 -6.451 481 H ALA 68 H ALA 68 -1.284 -11.116 -6.672 482 HA ALA 68 HA ALA 68 -0.075 -13.035 -8.585 483 1HB ALA 68 1HB ALA 68 -0.460 -10.596 -9.189 484 2HB ALA 68 3HB ALA 68 0.790 -10.191 -8.013 485 3HB ALA 68 2HB ALA 68 1.190 -11.173 -9.422 486 H ALA 69 H ALA 69 2.592 -11.800 -8.238 487 HA ALA 69 HA ALA 69 4.540 -12.178 -6.983 488 1HB ALA 69 1HB ALA 69 3.096 -10.909 -5.266 489 2HB ALA 69 3HB ALA 69 2.755 -12.491 -4.566 490 3HB ALA 69 2HB ALA 69 4.414 -11.894 -4.630 491 H HIS 70 HN HIS 70 5.199 -14.184 -7.727 492 HA HIS 70 HA HIS 70 5.680 -16.478 -7.556 493 1HB HIS 70 2HB HIS 70 4.861 -15.690 -4.900 494 2HB HIS 70 1HB HIS 70 4.265 -17.312 -5.255 495 HD1 HIS 70 HD1 HIS 70 5.950 -18.773 -4.074 496 HD2 HIS 70 HD2 HIS 70 7.776 -15.853 -6.423 497 HE1 HIS 70 HE1 HIS 70 8.430 -19.290 -4.061 No H/Q in entry = 497 Start of MODEL 5 1 1H GLU 1 3H GLU 1 13.348 -8.751 -0.781 2 2H GLU 1 2H GLU 1 12.378 -8.462 -2.145 3 3H GLU 1 1H GLU 1 13.676 -7.425 -1.787 4 HA GLU 1 HA GLU 1 12.600 -6.434 -0.017 5 1HB GLU 1 2HB GLU 1 11.523 -5.658 -2.002 6 2HB GLU 1 1HB GLU 1 10.604 -7.153 -2.175 7 1HG GLU 1 2HG GLU 1 9.136 -5.429 -1.278 8 2HG GLU 1 1HG GLU 1 9.438 -6.630 -0.024 9 H THR 2 H THR 2 11.589 -9.681 -0.640 10 HA THR 2 HA THR 2 10.524 -11.240 0.757 11 HB THR 2 HB THR 2 10.841 -9.159 2.925 12 HG1 THR 2 HG1 THR 2 12.659 -11.103 1.948 13 1HG2 THR 2 3HG2 THR 2 9.567 -11.575 2.988 14 2HG2 THR 2 2HG2 THR 2 11.201 -12.040 3.460 15 3HG2 THR 2 1HG2 THR 2 10.328 -10.821 4.389 16 H VAL 3 H VAL 3 8.427 -11.343 0.026 17 HA VAL 3 HA VAL 3 6.548 -9.183 0.298 18 HB VAL 3 HB VAL 3 5.685 -12.059 0.098 19 1HG1 VAL 3 2HG1 VAL 3 4.599 -9.417 -0.421 20 2HG1 VAL 3 1HG1 VAL 3 4.517 -10.428 -1.865 21 3HG1 VAL 3 3HG1 VAL 3 3.766 -10.970 -0.364 22 1HG2 VAL 3 3HG2 VAL 3 7.647 -10.770 -1.596 23 2HG2 VAL 3 2HG2 VAL 3 7.019 -12.415 -1.686 24 3HG2 VAL 3 1HG2 VAL 3 6.180 -11.104 -2.515 25 H GLU 4 H GLU 4 7.656 -11.676 2.434 26 HA GLU 4 HA GLU 4 5.414 -11.890 4.180 27 1HB GLU 4 2HB GLU 4 8.020 -12.887 4.121 28 2HB GLU 4 1HB GLU 4 7.975 -11.901 5.583 29 1HG GLU 4 2HG GLU 4 5.617 -13.139 5.875 30 2HG GLU 4 1HG GLU 4 6.438 -14.368 4.913 31 H SER 5 H SER 5 8.205 -9.669 4.251 32 HA SER 5 HA SER 5 7.064 -8.154 6.482 33 1HB SER 5 2HB SER 5 9.502 -7.876 4.737 34 2HB SER 5 1HB SER 5 8.985 -6.529 5.748 35 HG SER 5 HG SER 5 9.975 -7.559 7.284 36 H CYS 6 H CYS 6 7.392 -7.777 2.970 37 HA CYS 6 HA CYS 6 6.397 -5.128 2.759 38 1HB CYS 6 2HB CYS 6 6.894 -7.347 0.982 39 2HB CYS 6 1HB CYS 6 5.345 -6.602 0.579 40 H LEU 7 H LEU 7 4.813 -8.119 3.522 41 HA LEU 7 HA LEU 7 2.152 -6.829 3.232 42 1HB LEU 7 2HB LEU 7 2.858 -9.733 3.738 43 2HB LEU 7 1HB LEU 7 1.238 -9.095 3.434 44 HG LEU 7 HG LEU 7 3.580 -8.901 1.517 45 1HD1 LEU 7 2HD1 LEU 7 1.266 -10.789 1.781 46 2HD1 LEU 7 1HD1 LEU 7 1.828 -10.357 0.166 47 3HD1 LEU 7 3HD1 LEU 7 2.933 -11.124 1.308 48 1HD2 LEU 7 2HD2 LEU 7 0.674 -8.071 1.291 49 2HD2 LEU 7 1HD2 LEU 7 2.071 -6.995 1.332 50 3HD2 LEU 7 3HD2 LEU 7 1.822 -8.069 -0.047 51 H ALA 8 H ALA 8 4.469 -7.942 5.536 52 HA ALA 8 HA ALA 8 2.631 -7.968 7.810 53 1HB ALA 8 2HB ALA 8 5.456 -8.546 7.338 54 2HB ALA 8 1HB ALA 8 5.219 -7.590 8.800 55 3HB ALA 8 3HB ALA 8 4.397 -9.139 8.617 56 H LYS 9 H LYS 9 3.836 -5.644 5.826 57 HA LYS 9 HA LYS 9 4.789 -3.467 7.203 58 1HB LYS 9 2HB LYS 9 3.092 -3.982 4.842 59 2HB LYS 9 1HB LYS 9 2.943 -2.357 5.484 60 1HG LYS 9 2HG LYS 9 5.438 -2.149 5.412 61 2HG LYS 9 1HG LYS 9 5.510 -3.751 4.677 62 1HD LYS 9 2HD LYS 9 4.492 -3.035 2.694 63 2HD LYS 9 1HD LYS 9 3.794 -1.608 3.455 64 1HE LYS 9 2HE LYS 9 6.670 -2.084 2.669 65 2HE LYS 9 1HE LYS 9 5.603 -0.775 2.162 66 1HZ LYS 9 3HZ LYS 9 5.541 -0.321 4.719 67 2HZ LYS 9 2HZ LYS 9 7.029 -1.140 4.697 68 3HZ LYS 9 1HZ LYS 9 6.815 0.266 3.768 69 HA PRO 10 HA PRO 10 1.553 -1.884 9.770 70 1HB PRO 10 2HB PRO 10 1.225 0.740 8.975 71 2HB PRO 10 1HB PRO 10 2.593 0.165 9.945 72 1HG PRO 10 2HG PRO 10 2.515 0.890 7.053 73 2HG PRO 10 1HG PRO 10 3.873 0.949 8.189 74 1HD PRO 10 2HD PRO 10 3.456 -1.040 6.251 75 2HD PRO 10 1HD PRO 10 4.558 -1.175 7.635 76 H HIS 11 H HIS 11 1.099 -2.346 6.541 77 HA HIS 11 HA HIS 11 -0.755 -2.881 5.301 78 1HB HIS 11 2HB HIS 11 -1.897 -2.671 8.009 79 2HB HIS 11 1HB HIS 11 -3.041 -2.432 6.683 80 HD1 HIS 11 HD1 HIS 11 -4.180 -4.669 6.538 81 HD2 HIS 11 HD2 HIS 11 -0.024 -5.050 6.672 82 HE1 HIS 11 HE1 HIS 11 -3.669 -7.117 6.141 83 H THR 12 H THR 12 -2.588 -1.993 4.324 84 HA THR 12 HA THR 12 -2.586 0.076 2.862 85 HB THR 12 HB THR 12 -4.549 -1.426 3.763 86 HG1 THR 12 HG1 THR 12 -5.732 -0.538 2.248 87 1HG2 THR 12 1HG2 THR 12 -5.146 1.306 4.895 88 2HG2 THR 12 3HG2 THR 12 -6.349 0.030 4.707 89 3HG2 THR 12 2HG2 THR 12 -4.983 -0.200 5.798 90 H GLU 13 H GLU 13 -3.511 0.826 6.274 91 HA GLU 13 HA GLU 13 -3.793 3.560 6.015 92 1HB GLU 13 2HB GLU 13 -3.941 2.289 8.181 93 2HB GLU 13 1HB GLU 13 -2.178 2.282 8.245 94 1HG GLU 13 2HG GLU 13 -2.101 4.426 8.950 95 2HG GLU 13 1HG GLU 13 -3.248 4.948 7.713 96 H ASN 14 H ASN 14 -2.547 4.559 4.500 97 HA ASN 14 HA ASN 14 -0.085 5.725 5.122 98 1HB ASN 14 2HB ASN 14 0.180 2.949 4.272 99 2HB ASN 14 1HB ASN 14 1.013 4.036 3.161 100 1HD2 ASN 14 2HD2 ASN 14 3.328 5.198 5.675 101 2HD2 ASN 14 1HD2 ASN 14 2.500 5.707 4.285 102 H SER 15 H SER 15 1.090 5.651 2.443 103 HA SER 15 HA SER 15 -0.944 6.008 0.464 104 1HB SER 15 2HB SER 15 -0.694 8.549 0.327 105 2HB SER 15 1HB SER 15 -1.642 7.938 1.678 106 HG SER 15 HG SER 15 1.076 8.762 1.686 107 H PHE 16 H PHE 16 0.149 7.883 -1.175 108 HA PHE 16 HA PHE 16 2.971 7.902 -1.425 109 1HB PHE 16 2HB PHE 16 2.994 5.551 -1.722 110 2HB PHE 16 1HB PHE 16 1.527 5.579 -2.698 111 HD1 PHE 16 HD1 PHE 16 5.011 6.979 -2.711 112 HD2 PHE 16 HD2 PHE 16 1.727 5.443 -5.010 113 HE1 PHE 16 HE1 PHE 16 6.382 7.131 -4.772 114 HE2 PHE 16 HE2 PHE 16 3.094 5.596 -7.070 115 HZ PHE 16 HZ PHE 16 5.425 6.435 -6.952 116 H THR 17 H THR 17 3.547 9.139 -3.317 117 HA THR 17 HA THR 17 1.178 10.155 -4.803 118 HB THR 17 HB THR 17 2.070 12.163 -4.325 119 HG1 THR 17 HG1 THR 17 4.424 11.989 -5.624 120 1HG2 THR 17 1HG2 THR 17 4.675 10.744 -3.684 121 2HG2 THR 17 3HG2 THR 17 4.315 12.434 -3.324 122 3HG2 THR 17 2HG2 THR 17 3.409 11.150 -2.526 123 H ASN 18 H ASN 18 1.829 10.870 -7.171 124 HA ASN 18 HA ASN 18 2.470 10.114 -9.307 125 1HB ASN 18 2HB ASN 18 4.617 8.520 -7.876 126 2HB ASN 18 1HB ASN 18 4.632 9.088 -9.546 127 1HD2 ASN 18 2HD2 ASN 18 4.759 12.594 -7.963 128 2HD2 ASN 18 1HD2 ASN 18 3.450 11.759 -8.647 129 H VAL 19 H VAL 19 0.869 8.536 -7.162 130 HA VAL 19 HA VAL 19 1.023 5.809 -7.296 131 HB VAL 19 HB VAL 19 -1.584 7.246 -7.806 132 1HG1 VAL 19 3HG1 VAL 19 -0.753 4.705 -6.387 133 2HG1 VAL 19 2HG1 VAL 19 -2.344 5.438 -6.171 134 3HG1 VAL 19 1HG1 VAL 19 -1.844 4.872 -7.764 135 1HG2 VAL 19 2HG2 VAL 19 0.309 7.567 -5.613 136 2HG2 VAL 19 1HG2 VAL 19 -1.161 8.477 -5.962 137 3HG2 VAL 19 3HG2 VAL 19 -1.251 6.972 -5.046 138 H TRP 20 H TRP 20 -0.151 4.226 -8.645 139 HA TRP 20 HA TRP 20 -0.646 5.062 -11.440 140 1HB TRP 20 2HB TRP 20 1.036 3.835 -12.390 141 2HB TRP 20 1HB TRP 20 1.800 3.992 -10.814 142 HD1 TRP 20 HD1 TRP 20 -0.172 1.511 -12.967 143 HE1 TRP 20 HE1 TRP 20 0.140 -0.860 -12.013 144 HE3 TRP 20 HE3 TRP 20 2.412 2.620 -8.704 145 HZ2 TRP 20 HZ2 TRP 20 1.358 -2.123 -9.755 146 HZ3 TRP 20 HZ3 TRP 20 3.143 0.813 -7.175 147 HH2 TRP 20 HH2 TRP 20 2.620 -1.556 -7.696 148 H LYS 21 H LYS 21 -1.398 2.820 -12.604 149 HA LYS 21 HA LYS 21 -2.984 1.183 -10.720 150 1HB LYS 21 2HB LYS 21 -4.420 3.140 -11.435 151 2HB LYS 21 1HB LYS 21 -4.295 2.537 -13.091 152 1HG LYS 21 2HG LYS 21 -4.979 0.258 -11.751 153 2HG LYS 21 1HG LYS 21 -5.852 1.476 -10.819 154 1HD LYS 21 2HD LYS 21 -7.420 1.100 -12.468 155 2HD LYS 21 1HD LYS 21 -6.473 2.354 -13.269 156 1HE LYS 21 2HE LYS 21 -6.511 0.732 -14.931 157 2HE LYS 21 1HE LYS 21 -5.028 0.290 -14.084 158 1HZ LYS 21 3HZ LYS 21 -7.692 -0.871 -13.484 159 2HZ LYS 21 2HZ LYS 21 -6.545 -1.600 -14.505 160 3HZ LYS 21 1HZ LYS 21 -6.197 -1.369 -12.858 161 H ASP 22 H ASP 22 -2.788 -0.914 -11.361 162 HA ASP 22 HA ASP 22 -1.874 -1.401 -14.145 163 1HB ASP 22 2HB ASP 22 -1.075 -2.408 -11.593 164 2HB ASP 22 1HB ASP 22 -1.743 -3.746 -12.526 165 H ASP 23 H ASP 23 -3.080 -2.625 -15.506 166 HA ASP 23 HA ASP 23 -5.786 -3.421 -14.648 167 1HB ASP 23 2HB ASP 23 -4.713 -2.529 -17.060 168 2HB ASP 23 1HB ASP 23 -4.931 -4.259 -17.328 169 H LYS 24 H LYS 24 -2.637 -4.713 -15.134 170 HA LYS 24 HA LYS 24 -3.353 -7.504 -15.464 171 1HB LYS 24 2HB LYS 24 -0.867 -5.951 -14.771 172 2HB LYS 24 1HB LYS 24 -0.887 -7.703 -14.550 173 1HG LYS 24 2HG LYS 24 -1.968 -7.494 -17.049 174 2HG LYS 24 1HG LYS 24 -0.862 -6.119 -17.050 175 1HD LYS 24 2HD LYS 24 0.420 -7.972 -17.836 176 2HD LYS 24 1HD LYS 24 0.915 -7.730 -16.161 177 1HE LYS 24 2HE LYS 24 -1.393 -9.484 -16.315 178 2HE LYS 24 1HE LYS 24 -0.062 -10.106 -17.289 179 1HZ LYS 24 1HZ LYS 24 1.401 -9.824 -15.367 180 2HZ LYS 24 3HZ LYS 24 0.083 -9.302 -14.435 181 3HZ LYS 24 2HZ LYS 24 0.121 -10.891 -15.033 182 H THR 25 H THR 25 -2.098 -5.547 -12.773 183 HA THR 25 HA THR 25 -2.573 -7.588 -10.773 184 HB THR 25 HB THR 25 -2.188 -5.727 -9.157 185 HG1 THR 25 HG1 THR 25 -1.617 -3.683 -10.239 186 1HG2 THR 25 1HG2 THR 25 -0.387 -6.474 -11.343 187 2HG2 THR 25 3HG2 THR 25 0.013 -4.914 -10.624 188 3HG2 THR 25 2HG2 THR 25 -0.065 -6.357 -9.612 189 H LEU 26 H LEU 26 -4.355 -4.910 -12.155 190 HA LEU 26 HA LEU 26 -6.665 -4.473 -12.115 191 1HB LEU 26 2HB LEU 26 -6.421 -7.228 -11.451 192 2HB LEU 26 1HB LEU 26 -7.595 -6.522 -10.340 193 HG LEU 26 HG LEU 26 -7.667 -6.165 -13.351 194 1HD1 LEU 26 1HD1 LEU 26 -9.016 -8.111 -11.484 195 2HD1 LEU 26 3HD1 LEU 26 -9.785 -7.634 -12.999 196 3HD1 LEU 26 2HD1 LEU 26 -8.213 -8.433 -13.022 197 1HD2 LEU 26 3HD2 LEU 26 -9.504 -5.379 -11.075 198 2HD2 LEU 26 2HD2 LEU 26 -8.748 -4.322 -12.268 199 3HD2 LEU 26 1HD2 LEU 26 -10.038 -5.421 -12.755 200 H ASP 27 H ASP 27 -5.569 -2.737 -10.589 201 HA ASP 27 HA ASP 27 -7.307 -2.147 -8.472 202 1HB ASP 27 2HB ASP 27 -5.556 -4.318 -7.815 203 2HB ASP 27 1HB ASP 27 -5.138 -2.935 -6.804 204 H ARG 28 H ARG 28 -6.364 -0.483 -6.894 205 HA ARG 28 HA ARG 28 -4.545 1.275 -8.377 206 1HB ARG 28 2HB ARG 28 -6.553 1.874 -6.743 207 2HB ARG 28 1HB ARG 28 -5.303 1.735 -5.508 208 1HG ARG 28 2HG ARG 28 -5.269 4.023 -6.148 209 2HG ARG 28 1HG ARG 28 -3.898 3.300 -6.989 210 1HD ARG 28 2HD ARG 28 -5.239 4.754 -8.492 211 2HD ARG 28 1HD ARG 28 -5.239 3.075 -9.030 212 HE ARG 28 HE ARG 28 -7.522 2.872 -8.040 213 1HH1 ARG 28 1HH2 ARG 28 -6.488 5.661 -9.600 214 2HH1 ARG 28 2HH2 ARG 28 -7.849 6.632 -9.142 215 1HH2 ARG 28 2HH1 ARG 28 -9.144 4.260 -6.967 216 2HH2 ARG 28 1HH1 ARG 28 -9.354 5.838 -7.651 217 H TYR 29 H TYR 29 -2.358 1.743 -7.704 218 HA TYR 29 HA TYR 29 -1.350 0.150 -5.414 219 1HB TYR 29 2HB TYR 29 -0.325 -0.075 -8.252 220 2HB TYR 29 1HB TYR 29 0.526 -0.708 -6.844 221 HD1 TYR 29 HD2 TYR 29 -0.577 -2.462 -5.410 222 HD2 TYR 29 HD1 TYR 29 -2.209 -1.213 -9.181 223 HE1 TYR 29 HE2 TYR 29 -1.989 -4.497 -5.472 224 HE2 TYR 29 HE1 TYR 29 -3.621 -3.251 -9.243 225 HH TYR 29 HH TYR 29 -3.307 -5.776 -6.781 226 H ALA 30 H ALA 30 0.677 0.853 -4.613 227 HA ALA 30 HA ALA 30 1.656 3.454 -5.710 228 1HB ALA 30 3HB ALA 30 0.770 2.758 -2.944 229 2HB ALA 30 2HB ALA 30 2.174 3.812 -3.108 230 3HB ALA 30 1HB ALA 30 0.630 4.285 -3.816 231 H ASN 31 H ASN 31 3.729 3.106 -6.350 232 HA ASN 31 HA ASN 31 5.259 0.837 -5.352 233 1HB ASN 31 2HB ASN 31 7.057 1.731 -6.825 234 2HB ASN 31 1HB ASN 31 5.522 1.554 -7.675 235 1HD2 ASN 31 2HD2 ASN 31 5.104 5.040 -8.200 236 2HD2 ASN 31 1HD2 ASN 31 4.376 3.509 -8.291 237 H TYR 32 H TYR 32 5.779 1.096 -3.177 238 HA TYR 32 HA TYR 32 6.924 3.657 -2.264 239 1HB TYR 32 2HB TYR 32 5.388 2.413 -0.773 240 2HB TYR 32 1HB TYR 32 6.506 1.048 -0.770 241 HD1 TYR 32 HD1 TYR 32 7.388 4.664 -0.733 242 HD2 TYR 32 HD2 TYR 32 7.203 1.005 1.509 243 HE1 TYR 32 HE1 TYR 32 8.679 5.722 1.100 244 HE2 TYR 32 HE2 TYR 32 8.495 2.063 3.343 245 HH TYR 32 HH TYR 32 10.034 5.144 2.964 246 H GLU 33 H GLU 33 8.547 2.809 -4.180 247 HA GLU 33 HA GLU 33 10.614 1.729 -4.720 248 1HB GLU 33 2HB GLU 33 10.880 4.113 -3.642 249 2HB GLU 33 1HB GLU 33 11.590 3.214 -2.301 250 1HG GLU 33 2HG GLU 33 13.107 2.086 -3.988 251 2HG GLU 33 1HG GLU 33 12.509 3.237 -5.184 252 H GLY 34 H GLY 34 10.079 -0.486 -4.061 253 1HA GLY 34 2HA GLY 34 11.586 -2.195 -2.951 254 2HA GLY 34 1HA GLY 34 11.395 -1.235 -1.481 255 H CYS 35 H CYS 35 8.586 -0.661 -1.815 256 HA CYS 35 HA CYS 35 7.449 -3.420 -1.566 257 1HB CYS 35 2HB CYS 35 7.810 -1.903 0.591 258 2HB CYS 35 1HB CYS 35 6.299 -1.176 0.042 259 H LEU 36 H LEU 36 4.945 -3.306 -1.711 260 HA LEU 36 HA LEU 36 4.081 -1.156 -3.570 261 1HB LEU 36 2HB LEU 36 4.825 -3.457 -4.652 262 2HB LEU 36 1HB LEU 36 3.217 -3.959 -4.135 263 HG LEU 36 HG LEU 36 3.247 -3.034 -6.455 264 1HD1 LEU 36 3HD1 LEU 36 1.441 -2.551 -4.406 265 2HD1 LEU 36 2HD1 LEU 36 1.700 -0.955 -5.109 266 3HD1 LEU 36 1HD1 LEU 36 1.146 -2.286 -6.123 267 1HD2 LEU 36 2HD2 LEU 36 4.902 -1.095 -5.252 268 2HD2 LEU 36 1HD2 LEU 36 4.328 -1.110 -6.920 269 3HD2 LEU 36 3HD2 LEU 36 3.414 -0.252 -5.678 270 H TRP 37 H TRP 37 2.315 -0.263 -2.718 271 HA TRP 37 HA TRP 37 0.594 -1.876 -0.918 272 1HB TRP 37 2HB TRP 37 0.454 1.104 -1.492 273 2HB TRP 37 1HB TRP 37 -0.328 0.228 -0.185 274 HD1 TRP 37 HD1 TRP 37 3.301 0.728 -1.433 275 HE1 TRP 37 HE1 TRP 37 4.820 0.944 0.640 276 HE3 TRP 37 HE3 TRP 37 -0.163 0.103 2.275 277 HZ2 TRP 37 HZ2 TRP 37 4.596 0.859 3.490 278 HZ3 TRP 37 HZ3 TRP 37 0.517 0.169 4.650 279 HH2 TRP 37 HH2 TRP 37 2.891 0.550 5.265 280 H ASN 38 H ASN 38 -1.877 -1.186 -1.207 281 HA ASN 38 HA ASN 38 -2.531 -0.923 -4.094 282 1HB ASN 38 2HB ASN 38 -2.834 -3.183 -4.157 283 2HB ASN 38 1HB ASN 38 -2.901 -3.318 -2.404 284 1HD2 ASN 38 2HD2 ASN 38 -6.459 -2.203 -4.148 285 2HD2 ASN 38 1HD2 ASN 38 -5.027 -1.424 -4.617 286 H ALA 39 H ALA 39 -3.892 0.777 -4.201 287 HA ALA 39 HA ALA 39 -5.570 1.479 -1.874 288 1HB ALA 39 2HB ALA 39 -4.320 2.948 -3.934 289 2HB ALA 39 1HB ALA 39 -6.054 3.096 -4.225 290 3HB ALA 39 3HB ALA 39 -5.377 3.579 -2.670 291 H THR 40 H THR 40 -7.803 1.347 -1.864 292 HA THR 40 HA THR 40 -9.177 0.365 -4.309 293 HB THR 40 HB THR 40 -8.846 -1.722 -3.318 294 HG1 THR 40 HG1 THR 40 -10.837 -2.247 -2.854 295 1HG2 THR 40 3HG2 THR 40 -7.735 -0.682 -1.287 296 2HG2 THR 40 2HG2 THR 40 -9.342 -0.533 -0.578 297 3HG2 THR 40 1HG2 THR 40 -8.689 -2.127 -0.955 298 H GLY 41 H GLY 41 -9.619 1.297 -0.877 299 1HA GLY 41 2HA GLY 41 -12.381 2.100 -1.298 300 2HA GLY 41 1HA GLY 41 -11.425 2.412 0.150 301 H VAL 42 H VAL 42 -12.600 4.570 -0.082 302 HA VAL 42 HA VAL 42 -12.072 6.381 -2.201 303 HB VAL 42 HB VAL 42 -12.488 6.964 0.746 304 1HG1 VAL 42 3HG1 VAL 42 -11.505 8.813 -0.750 305 2HG1 VAL 42 2HG1 VAL 42 -13.051 8.787 -1.599 306 3HG1 VAL 42 1HG1 VAL 42 -12.994 9.203 0.114 307 1HG2 VAL 42 2HG2 VAL 42 -14.397 6.726 -1.598 308 2HG2 VAL 42 1HG2 VAL 42 -14.342 5.694 -0.170 309 3HG2 VAL 42 3HG2 VAL 42 -14.848 7.377 -0.023 310 H VAL 43 H VAL 43 -10.349 7.770 -2.608 311 HA VAL 43 HA VAL 43 -8.115 7.803 -0.643 312 HB VAL 43 HB VAL 43 -7.495 7.514 -3.563 313 1HG1 VAL 43 1HG1 VAL 43 -5.723 8.070 -1.926 314 2HG1 VAL 43 3HG1 VAL 43 -6.113 6.610 -1.017 315 3HG1 VAL 43 2HG1 VAL 43 -5.455 6.484 -2.648 316 1HG2 VAL 43 1HG2 VAL 43 -9.091 5.675 -2.963 317 2HG2 VAL 43 3HG2 VAL 43 -7.478 5.084 -3.359 318 3HG2 VAL 43 2HG2 VAL 43 -7.989 5.189 -1.675 319 H VAL 44 H VAL 44 -7.463 9.879 -0.330 320 HA VAL 44 HA VAL 44 -8.575 12.086 -1.769 321 HB VAL 44 HB VAL 44 -6.099 11.895 -0.025 322 1HG1 VAL 44 3HG1 VAL 44 -6.626 13.921 -1.806 323 2HG1 VAL 44 2HG1 VAL 44 -7.439 14.502 -0.354 324 3HG1 VAL 44 1HG1 VAL 44 -5.718 14.118 -0.307 325 1HG2 VAL 44 2HG2 VAL 44 -8.630 11.528 0.764 326 2HG2 VAL 44 1HG2 VAL 44 -7.472 12.411 1.759 327 3HG2 VAL 44 3HG2 VAL 44 -8.622 13.292 0.755 328 H CYS 45 H CYS 45 -8.196 11.936 -4.008 329 HA CYS 45 HA CYS 45 -5.351 11.739 -4.873 330 1HB CYS 45 2HB CYS 45 -7.962 11.027 -6.099 331 2HB CYS 45 1HB CYS 45 -6.738 11.660 -7.199 332 H THR 46 H THR 46 -4.335 13.532 -5.605 333 HA THR 46 HA THR 46 -6.006 15.839 -6.493 334 HB THR 46 HB THR 46 -5.118 16.180 -4.176 335 HG1 THR 46 HG1 THR 46 -5.205 17.818 -6.067 336 1HG2 THR 46 1HG2 THR 46 -3.052 14.832 -4.493 337 2HG2 THR 46 3HG2 THR 46 -2.426 16.085 -5.566 338 3HG2 THR 46 2HG2 THR 46 -2.711 16.444 -3.863 339 H GLY 47 H GLY 47 -4.843 17.312 -7.950 340 1HA GLY 47 2HA GLY 47 -3.487 17.734 -9.816 341 2HA GLY 47 1HA GLY 47 -2.250 16.765 -9.011 342 H ASP 48 H ASP 48 -5.391 16.239 -10.662 343 HA ASP 48 HA ASP 48 -5.970 14.597 -12.250 344 1HB ASP 48 2HB ASP 48 -3.037 13.955 -12.513 345 2HB ASP 48 1HB ASP 48 -4.300 13.843 -13.739 346 H GLU 49 H GLU 49 -4.994 14.134 -9.299 347 HA GLU 49 HA GLU 49 -5.182 12.324 -7.849 348 1HB GLU 49 2HB GLU 49 -5.600 10.608 -10.313 349 2HB GLU 49 1HB GLU 49 -5.994 10.188 -8.649 350 1HG GLU 49 2HG GLU 49 -7.382 12.490 -8.854 351 2HG GLU 49 1HG GLU 49 -7.435 11.971 -10.538 352 H THR 50 H THR 50 -2.822 12.791 -10.130 353 HA THR 50 HA THR 50 -1.225 10.501 -10.124 354 HB THR 50 HB THR 50 0.732 12.272 -9.877 355 HG1 THR 50 HG1 THR 50 -0.001 14.187 -9.526 356 1HG2 THR 50 1HG2 THR 50 -0.942 11.336 -12.000 357 2HG2 THR 50 3HG2 THR 50 -0.519 13.017 -12.319 358 3HG2 THR 50 2HG2 THR 50 0.752 11.820 -12.072 359 H GLN 51 H GLN 51 -1.733 12.850 -7.518 360 HA GLN 51 HA GLN 51 -0.027 11.136 -5.763 361 1HB GLN 51 2HB GLN 51 -1.156 13.777 -4.890 362 2HB GLN 51 1HB GLN 51 0.341 12.987 -4.394 363 1HG GLN 51 2HG GLN 51 1.282 13.397 -6.658 364 2HG GLN 51 1HG GLN 51 -0.198 14.252 -7.098 365 1HE2 GLN 51 2HE2 GLN 51 2.575 16.496 -5.549 366 2HE2 GLN 51 1HE2 GLN 51 2.762 15.160 -6.579 367 H CYS 52 H CYS 52 -1.025 10.118 -3.963 368 HA CYS 52 HA CYS 52 -3.790 10.892 -3.350 369 1HB CYS 52 2HB CYS 52 -3.454 8.977 -5.282 370 2HB CYS 52 1HB CYS 52 -3.630 7.998 -3.827 371 H TYR 53 H TYR 53 -4.591 9.996 -1.376 372 HA TYR 53 HA TYR 53 -2.666 8.379 0.201 373 1HB TYR 53 2HB TYR 53 -2.040 10.351 1.213 374 2HB TYR 53 1HB TYR 53 -3.530 11.172 0.760 375 HD1 TYR 53 HD1 TYR 53 -1.985 8.851 3.221 376 HD2 TYR 53 HD2 TYR 53 -5.460 11.165 2.205 377 HE1 TYR 53 HE1 TYR 53 -2.900 8.472 5.495 378 HE2 TYR 53 HE2 TYR 53 -6.369 10.794 4.481 379 HH TYR 53 HH TYR 53 -6.130 9.172 6.311 380 H GLY 54 H GLY 54 -3.715 7.320 2.063 381 1HA GLY 54 2HA GLY 54 -6.182 7.290 3.078 382 2HA GLY 54 1HA GLY 54 -6.553 6.715 1.451 383 H THR 55 H THR 55 -6.779 4.528 1.474 384 HA THR 55 HA THR 55 -4.930 2.979 3.244 385 HB THR 55 HB THR 55 -6.697 1.121 2.874 386 HG1 THR 55 HG1 THR 55 -7.823 2.111 1.202 387 1HG2 THR 55 1HG2 THR 55 -6.575 3.363 4.670 388 2HG2 THR 55 3HG2 THR 55 -8.257 2.911 4.400 389 3HG2 THR 55 2HG2 THR 55 -7.107 1.714 4.990 390 H TRP 56 H TRP 56 -3.516 1.691 2.291 391 HA TRP 56 HA TRP 56 -3.867 0.905 -0.560 392 1HB TRP 56 2HB TRP 56 -1.309 1.711 0.810 393 2HB TRP 56 1HB TRP 56 -1.522 1.352 -0.906 394 HD1 TRP 56 HD1 TRP 56 -2.718 3.894 1.730 395 HE1 TRP 56 HE1 TRP 56 -3.245 6.106 0.527 396 HE3 TRP 56 HE3 TRP 56 -1.927 2.446 -3.083 397 HZ2 TRP 56 HZ2 TRP 56 -3.324 7.129 -2.167 398 HZ3 TRP 56 HZ3 TRP 56 -2.235 4.036 -4.954 399 HH2 TRP 56 HH2 TRP 56 -2.932 6.381 -4.504 400 H VAL 57 H VAL 57 -4.646 -1.135 0.753 401 HA VAL 57 HA VAL 57 -3.094 -2.626 2.495 402 HB VAL 57 HB VAL 57 -4.779 -3.577 0.166 403 1HG1 VAL 57 1HG1 VAL 57 -3.213 -5.122 2.220 404 2HG1 VAL 57 3HG1 VAL 57 -4.742 -5.761 1.616 405 3HG1 VAL 57 2HG1 VAL 57 -3.414 -5.451 0.499 406 1HG2 VAL 57 3HG2 VAL 57 -5.162 -3.147 3.124 407 2HG2 VAL 57 2HG2 VAL 57 -6.163 -2.581 1.788 408 3HG2 VAL 57 1HG2 VAL 57 -6.188 -4.284 2.249 409 HA PRO 58 HA PRO 58 0.626 -3.369 0.168 410 1HB PRO 58 2HB PRO 58 1.798 -5.033 2.042 411 2HB PRO 58 1HB PRO 58 1.811 -3.261 2.136 412 1HG PRO 58 2HG PRO 58 0.176 -5.215 3.690 413 2HG PRO 58 1HG PRO 58 0.715 -3.585 4.143 414 1HD PRO 58 2HD PRO 58 -1.883 -4.254 3.275 415 2HD PRO 58 1HD PRO 58 -1.200 -2.616 3.325 416 H ILE 59 H ILE 59 1.162 -4.961 -1.323 417 HA ILE 59 HA ILE 59 0.129 -7.713 -0.875 418 HB ILE 59 HB ILE 59 -0.754 -7.722 -3.222 419 1HG1 ILE 59 2HG1 ILE 59 0.662 -5.678 -3.854 420 2HG1 ILE 59 1HG1 ILE 59 -0.999 -5.687 -4.440 421 1HG2 ILE 59 2HG2 ILE 59 -2.260 -7.424 -1.285 422 2HG2 ILE 59 1HG2 ILE 59 -1.991 -5.683 -1.344 423 3HG2 ILE 59 3HG2 ILE 59 -2.824 -6.491 -2.672 424 1HD1 ILE 59 1HD1 ILE 59 -1.242 -4.464 -1.969 425 2HD1 ILE 59 3HD1 ILE 59 0.309 -3.869 -2.549 426 3HD1 ILE 59 2HD1 ILE 59 -1.138 -3.628 -3.514 427 H GLY 60 H GLY 60 2.191 -5.528 -2.791 428 1HA GLY 60 2HA GLY 60 3.803 -7.961 -3.467 429 2HA GLY 60 1HA GLY 60 3.462 -6.728 -4.675 430 H LEU 61 H LEU 61 5.986 -7.081 -4.524 431 HA LEU 61 HA LEU 61 7.216 -5.430 -2.415 432 1HB LEU 61 2HB LEU 61 8.644 -6.590 -4.807 433 2HB LEU 61 1HB LEU 61 9.293 -6.230 -3.208 434 HG LEU 61 HG LEU 61 7.349 -8.438 -3.928 435 1HD1 LEU 61 1HD1 LEU 61 10.029 -8.478 -4.150 436 2HD1 LEU 61 3HD1 LEU 61 9.891 -8.868 -2.436 437 3HD1 LEU 61 2HD1 LEU 61 9.106 -9.892 -3.640 438 1HD2 LEU 61 3HD2 LEU 61 7.979 -7.096 -1.360 439 2HD2 LEU 61 2HD2 LEU 61 6.543 -8.003 -1.832 440 3HD2 LEU 61 1HD2 LEU 61 7.998 -8.860 -1.320 441 H ALA 62 H ALA 62 6.058 -5.123 -5.673 442 HA ALA 62 HA ALA 62 6.220 -2.323 -5.715 443 1HB ALA 62 3HB ALA 62 8.729 -3.692 -6.590 444 2HB ALA 62 2HB ALA 62 8.221 -2.232 -7.440 445 3HB ALA 62 1HB ALA 62 8.525 -2.180 -5.703 446 H ILE 63 H ILE 63 4.452 -4.363 -6.781 447 HA ILE 63 HA ILE 63 3.552 -3.268 -9.100 448 HB ILE 63 HB ILE 63 6.071 -4.579 -9.668 449 1HG1 ILE 63 2HG1 ILE 63 5.555 -2.336 -10.409 450 2HG1 ILE 63 1HG1 ILE 63 5.698 -3.352 -11.842 451 1HG2 ILE 63 1HG2 ILE 63 3.637 -5.558 -11.177 452 2HG2 ILE 63 3HG2 ILE 63 5.264 -5.601 -11.856 453 3HG2 ILE 63 2HG2 ILE 63 4.892 -6.528 -10.404 454 1HD1 ILE 63 2HD1 ILE 63 2.971 -3.379 -10.835 455 2HD1 ILE 63 1HD1 ILE 63 3.505 -1.726 -11.145 456 3HD1 ILE 63 3HD1 ILE 63 3.559 -2.929 -12.434 457 HA PRO 64 HA PRO 64 2.093 -7.822 -9.172 458 1HB PRO 64 2HB PRO 64 2.569 -9.281 -6.877 459 2HB PRO 64 1HB PRO 64 3.559 -9.355 -8.347 460 1HG PRO 64 2HG PRO 64 4.148 -8.018 -5.754 461 2HG PRO 64 1HG PRO 64 5.267 -8.645 -6.972 462 1HD PRO 64 2HD PRO 64 4.619 -5.944 -6.589 463 2HD PRO 64 1HD PRO 64 5.419 -6.606 -8.024 464 H GLU 65 H GLU 65 0.042 -8.454 -8.497 465 HA GLU 65 HA GLU 65 -1.378 -6.530 -6.837 466 1HB GLU 65 2HB GLU 65 -3.378 -7.723 -7.532 467 2HB GLU 65 1HB GLU 65 -2.321 -7.553 -8.929 468 1HG GLU 65 2HG GLU 65 -1.950 -10.000 -7.275 469 2HG GLU 65 1HG GLU 65 -3.418 -9.910 -8.245 470 H ASN 66 H ASN 66 -3.351 -8.300 -5.761 471 HA ASN 66 HA ASN 66 -1.928 -9.158 -3.330 472 1HB ASN 66 2HB ASN 66 -3.945 -7.961 -2.905 473 2HB ASN 66 1HB ASN 66 -4.842 -8.898 -4.098 474 1HD2 ASN 66 2HD2 ASN 66 -4.051 -10.606 -0.433 475 2HD2 ASN 66 1HD2 ASN 66 -3.067 -9.337 -0.986 476 H ALA 67 H ALA 67 -3.531 -10.565 -6.114 477 HA ALA 67 HA ALA 67 -4.152 -13.139 -5.330 478 1HB ALA 67 3HB ALA 67 -3.959 -11.963 -7.734 479 2HB ALA 67 2HB ALA 67 -2.478 -12.919 -7.789 480 3HB ALA 67 1HB ALA 67 -4.034 -13.716 -7.558 481 H ALA 68 H ALA 68 -0.972 -11.704 -5.520 482 HA ALA 68 HA ALA 68 1.093 -12.498 -4.736 483 1HB ALA 68 1HB ALA 68 -0.385 -13.338 -2.837 484 2HB ALA 68 3HB ALA 68 -0.433 -14.887 -3.678 485 3HB ALA 68 2HB ALA 68 1.104 -14.246 -3.098 486 H ALA 69 H ALA 69 -0.161 -13.332 -7.354 487 HA ALA 69 HA ALA 69 1.361 -15.877 -7.761 488 1HB ALA 69 2HB ALA 69 -1.238 -15.550 -8.300 489 2HB ALA 69 1HB ALA 69 -0.588 -14.879 -9.796 490 3HB ALA 69 3HB ALA 69 -0.202 -16.536 -9.332 491 H HIS 70 HN HIS 70 2.981 -15.895 -9.317 492 HA HIS 70 HA HIS 70 4.598 -14.989 -10.757 493 1HB HIS 70 2HB HIS 70 1.988 -14.179 -11.739 494 2HB HIS 70 1HB HIS 70 3.206 -12.960 -12.115 495 HD1 HIS 70 HD1 HIS 70 1.942 -16.186 -13.230 496 HD2 HIS 70 HD2 HIS 70 5.582 -14.168 -13.473 497 HE1 HIS 70 HE1 HIS 70 3.280 -17.337 -15.048 No H/Q in entry = 497 Start of MODEL 6 1 1H GLU 1 3H GLU 1 13.756 -7.131 1.269 2 2H GLU 1 2H GLU 1 13.245 -7.490 -0.308 3 3H GLU 1 1H GLU 1 13.825 -5.937 0.066 4 HA GLU 1 HA GLU 1 11.950 -5.438 1.394 5 1HB GLU 1 2HB GLU 1 10.138 -5.653 -0.251 6 2HB GLU 1 1HB GLU 1 11.648 -5.231 -1.060 7 1HG GLU 1 2HG GLU 1 11.052 -8.133 -0.739 8 2HG GLU 1 1HG GLU 1 10.087 -7.241 -1.910 9 H THR 2 H THR 2 12.309 -8.837 0.666 10 HA THR 2 HA THR 2 11.197 -10.730 1.525 11 HB THR 2 HB THR 2 10.748 -9.303 4.089 12 HG1 THR 2 HG1 THR 2 13.053 -9.375 4.435 13 1HG2 THR 2 3HG2 THR 2 10.569 -11.796 3.723 14 2HG2 THR 2 2HG2 THR 2 12.306 -11.811 3.420 15 3HG2 THR 2 1HG2 THR 2 11.691 -11.326 5.000 16 H VAL 3 H VAL 3 9.198 -10.797 0.427 17 HA VAL 3 HA VAL 3 6.997 -9.144 0.688 18 HB VAL 3 HB VAL 3 6.935 -12.174 0.555 19 1HG1 VAL 3 3HG1 VAL 3 4.757 -11.053 1.087 20 2HG1 VAL 3 2HG1 VAL 3 4.914 -10.132 -0.408 21 3HG1 VAL 3 1HG1 VAL 3 4.750 -11.886 -0.467 22 1HG2 VAL 3 2HG2 VAL 3 8.247 -10.592 -1.181 23 2HG2 VAL 3 1HG2 VAL 3 7.366 -12.027 -1.703 24 3HG2 VAL 3 3HG2 VAL 3 6.622 -10.435 -1.847 25 H GLU 4 H GLU 4 8.187 -11.480 3.031 26 HA GLU 4 HA GLU 4 5.891 -11.716 4.681 27 1HB GLU 4 2HB GLU 4 8.146 -12.939 4.887 28 2HB GLU 4 1HB GLU 4 8.705 -11.516 5.767 29 1HG GLU 4 2HG GLU 4 7.507 -12.048 7.618 30 2HG GLU 4 1HG GLU 4 6.089 -12.504 6.673 31 H SER 5 H SER 5 8.542 -9.313 4.869 32 HA SER 5 HA SER 5 7.038 -7.805 6.895 33 1HB SER 5 2HB SER 5 9.362 -7.736 7.290 34 2HB SER 5 1HB SER 5 9.735 -7.499 5.584 35 HG SER 5 HG SER 5 9.868 -5.590 6.975 36 H CYS 6 H CYS 6 8.280 -7.143 3.588 37 HA CYS 6 HA CYS 6 7.155 -4.627 3.190 38 1HB CYS 6 2HB CYS 6 8.147 -6.690 1.506 39 2HB CYS 6 1HB CYS 6 6.580 -6.201 0.855 40 H LEU 7 H LEU 7 5.532 -7.713 3.458 41 HA LEU 7 HA LEU 7 2.975 -6.490 2.635 42 1HB LEU 7 2HB LEU 7 3.679 -9.328 3.414 43 2HB LEU 7 1HB LEU 7 2.062 -8.800 2.947 44 HG LEU 7 HG LEU 7 4.547 -9.001 1.255 45 1HD1 LEU 7 3HD1 LEU 7 2.841 -10.826 1.335 46 2HD1 LEU 7 2HD1 LEU 7 1.641 -9.682 0.734 47 3HD1 LEU 7 1HD1 LEU 7 3.024 -10.119 -0.270 48 1HD2 LEU 7 3HD2 LEU 7 2.122 -7.278 0.644 49 2HD2 LEU 7 2HD2 LEU 7 3.750 -6.679 0.970 50 3HD2 LEU 7 1HD2 LEU 7 3.436 -7.637 -0.477 51 H ALA 8 H ALA 8 4.362 -8.075 5.523 52 HA ALA 8 HA ALA 8 2.155 -7.688 7.239 53 1HB ALA 8 1HB ALA 8 5.143 -7.625 7.729 54 2HB ALA 8 3HB ALA 8 3.996 -7.351 9.040 55 3HB ALA 8 2HB ALA 8 3.994 -8.887 8.174 56 H LYS 9 H LYS 9 5.042 -5.627 7.188 57 HA LYS 9 HA LYS 9 5.242 -3.298 7.588 58 1HB LYS 9 2HB LYS 9 3.682 -4.006 5.235 59 2HB LYS 9 1HB LYS 9 3.277 -2.391 5.795 60 1HG LYS 9 2HG LYS 9 5.739 -1.875 5.880 61 2HG LYS 9 1HG LYS 9 6.045 -3.461 5.174 62 1HD LYS 9 2HD LYS 9 5.010 -2.885 3.131 63 2HD LYS 9 1HD LYS 9 4.206 -1.480 3.836 64 1HE LYS 9 2HE LYS 9 7.134 -1.826 3.184 65 2HE LYS 9 1HE LYS 9 6.030 -0.573 2.614 66 1HZ LYS 9 3HZ LYS 9 5.830 -0.114 5.168 67 2HZ LYS 9 2HZ LYS 9 7.360 -0.851 5.211 68 3HZ LYS 9 1HZ LYS 9 7.109 0.540 4.267 69 HA PRO 10 HA PRO 10 1.995 -1.506 10.012 70 1HB PRO 10 2HB PRO 10 1.600 1.028 8.998 71 2HB PRO 10 1HB PRO 10 3.005 0.573 9.977 72 1HG PRO 10 2HG PRO 10 2.840 1.052 7.040 73 2HG PRO 10 1HG PRO 10 4.230 1.213 8.127 74 1HD PRO 10 2HD PRO 10 3.752 -0.932 6.365 75 2HD PRO 10 1HD PRO 10 4.935 -0.927 7.688 76 H HIS 11 H HIS 11 1.535 -2.241 6.822 77 HA HIS 11 HA HIS 11 -0.330 -2.890 5.624 78 1HB HIS 11 2HB HIS 11 -1.371 -2.611 8.342 79 2HB HIS 11 1HB HIS 11 -2.582 -2.294 7.092 80 HD1 HIS 11 HD1 HIS 11 0.110 -4.637 6.081 81 HD2 HIS 11 HD2 HIS 11 -3.684 -4.915 7.802 82 HE1 HIS 11 HE1 HIS 11 -0.589 -7.061 5.895 83 H THR 12 H THR 12 -2.211 -2.060 4.616 84 HA THR 12 HA THR 12 -2.264 -0.023 3.084 85 HB THR 12 HB THR 12 -4.195 -1.539 4.044 86 HG1 THR 12 HG1 THR 12 -5.523 -0.572 2.635 87 1HG2 THR 12 3HG2 THR 12 -4.796 1.196 5.167 88 2HG2 THR 12 2HG2 THR 12 -5.984 -0.098 5.027 89 3HG2 THR 12 1HG2 THR 12 -4.583 -0.297 6.080 90 H GLU 13 H GLU 13 -3.111 0.738 6.510 91 HA GLU 13 HA GLU 13 -3.447 3.476 6.224 92 1HB GLU 13 2HB GLU 13 -3.578 2.242 8.408 93 2HB GLU 13 1HB GLU 13 -1.813 2.218 8.452 94 1HG GLU 13 2HG GLU 13 -1.742 4.337 9.202 95 2HG GLU 13 1HG GLU 13 -2.760 4.887 7.870 96 H ASN 14 H ASN 14 -2.220 4.478 4.713 97 HA ASN 14 HA ASN 14 0.250 5.638 5.298 98 1HB ASN 14 2HB ASN 14 0.524 2.857 4.580 99 2HB ASN 14 1HB ASN 14 1.254 3.852 3.320 100 1HD2 ASN 14 2HD2 ASN 14 4.104 3.828 5.462 101 2HD2 ASN 14 1HD2 ASN 14 3.432 3.186 4.043 102 H SER 15 H SER 15 1.367 5.424 2.557 103 HA SER 15 HA SER 15 -0.664 5.793 0.611 104 1HB SER 15 2HB SER 15 -0.568 8.296 0.448 105 2HB SER 15 1HB SER 15 -1.347 7.712 1.913 106 HG SER 15 HG SER 15 0.305 9.412 2.152 107 H PHE 16 H PHE 16 0.394 7.699 -1.021 108 HA PHE 16 HA PHE 16 3.225 7.723 -1.248 109 1HB PHE 16 2HB PHE 16 3.237 5.386 -1.649 110 2HB PHE 16 1HB PHE 16 1.767 5.462 -2.620 111 HD1 PHE 16 HD1 PHE 16 5.283 6.780 -2.568 112 HD2 PHE 16 HD2 PHE 16 1.938 5.510 -4.944 113 HE1 PHE 16 HE1 PHE 16 6.642 7.041 -4.625 114 HE2 PHE 16 HE2 PHE 16 3.296 5.775 -6.999 115 HZ PHE 16 HZ PHE 16 5.652 6.534 -6.841 116 H THR 17 H THR 17 3.764 9.153 -2.957 117 HA THR 17 HA THR 17 1.418 10.173 -4.455 118 HB THR 17 HB THR 17 2.313 12.159 -3.884 119 HG1 THR 17 HG1 THR 17 4.628 11.949 -5.312 120 1HG2 THR 17 2HG2 THR 17 3.732 11.064 -2.186 121 2HG2 THR 17 1HG2 THR 17 4.963 10.758 -3.412 122 3HG2 THR 17 3HG2 THR 17 4.576 12.414 -2.945 123 H ASN 18 H ASN 18 1.749 10.682 -6.803 124 HA ASN 18 HA ASN 18 2.514 10.074 -8.960 125 1HB ASN 18 2HB ASN 18 4.800 9.743 -7.359 126 2HB ASN 18 1HB ASN 18 4.608 8.202 -8.196 127 1HD2 ASN 18 2HD2 ASN 18 5.512 11.571 -10.342 128 2HD2 ASN 18 1HD2 ASN 18 5.011 11.705 -8.725 129 H VAL 19 H VAL 19 1.185 8.270 -6.613 130 HA VAL 19 HA VAL 19 1.293 5.587 -7.077 131 HB VAL 19 HB VAL 19 -1.208 7.282 -6.834 132 1HG1 VAL 19 1HG1 VAL 19 -0.804 4.309 -6.402 133 2HG1 VAL 19 3HG1 VAL 19 -2.276 5.204 -6.028 134 3HG1 VAL 19 2HG1 VAL 19 -1.742 5.049 -7.699 135 1HG2 VAL 19 2HG2 VAL 19 0.834 7.011 -5.044 136 2HG2 VAL 19 1HG2 VAL 19 -0.842 7.305 -4.585 137 3HG2 VAL 19 3HG2 VAL 19 -0.201 5.662 -4.573 138 H TRP 20 H TRP 20 -0.075 4.147 -8.427 139 HA TRP 20 HA TRP 20 -0.920 5.327 -11.018 140 1HB TRP 20 2HB TRP 20 0.548 4.117 -12.300 141 2HB TRP 20 1HB TRP 20 1.520 4.119 -10.833 142 HD1 TRP 20 HD1 TRP 20 -0.806 1.898 -12.899 143 HE1 TRP 20 HE1 TRP 20 -0.497 -0.550 -12.172 144 HE3 TRP 20 HE3 TRP 20 2.308 2.552 -8.903 145 HZ2 TRP 20 HZ2 TRP 20 0.898 -2.038 -10.177 146 HZ3 TRP 20 HZ3 TRP 20 3.116 0.597 -7.613 147 HH2 TRP 20 HH2 TRP 20 2.417 -1.697 -8.247 148 H LYS 21 H LYS 21 -1.928 3.273 -12.322 149 HA LYS 21 HA LYS 21 -3.369 1.498 -10.444 150 1HB LYS 21 2HB LYS 21 -4.773 3.586 -10.851 151 2HB LYS 21 1HB LYS 21 -4.876 3.079 -12.539 152 1HG LYS 21 2HG LYS 21 -5.493 0.750 -11.251 153 2HG LYS 21 1HG LYS 21 -6.189 1.942 -10.151 154 1HD LYS 21 2HD LYS 21 -7.904 1.423 -11.740 155 2HD LYS 21 1HD LYS 21 -7.278 3.008 -12.195 156 1HE LYS 21 2HE LYS 21 -5.817 0.769 -13.418 157 2HE LYS 21 1HE LYS 21 -7.511 0.859 -13.904 158 1HZ LYS 21 1HZ LYS 21 -6.806 3.420 -14.053 159 2HZ LYS 21 3HZ LYS 21 -5.326 2.691 -14.443 160 3HZ LYS 21 2HZ LYS 21 -6.711 2.344 -15.365 161 H ASP 22 H ASP 22 -3.126 -0.519 -11.280 162 HA ASP 22 HA ASP 22 -2.598 -0.766 -14.187 163 1HB ASP 22 2HB ASP 22 -1.574 -2.039 -11.836 164 2HB ASP 22 1HB ASP 22 -2.360 -3.261 -12.831 165 H ASP 23 H ASP 23 -4.077 -1.670 -15.518 166 HA ASP 23 HA ASP 23 -6.651 -2.565 -14.421 167 1HB ASP 23 2HB ASP 23 -6.542 -1.254 -16.543 168 2HB ASP 23 1HB ASP 23 -5.633 -2.571 -17.286 169 H LYS 24 H LYS 24 -3.638 -3.858 -15.452 170 HA LYS 24 HA LYS 24 -4.495 -6.576 -15.994 171 1HB LYS 24 2HB LYS 24 -2.307 -5.475 -16.728 172 2HB LYS 24 1HB LYS 24 -1.776 -5.620 -15.051 173 1HG LYS 24 2HG LYS 24 -1.289 -7.804 -15.324 174 2HG LYS 24 1HG LYS 24 -2.884 -8.130 -16.002 175 1HD LYS 24 2HD LYS 24 -2.183 -7.706 -18.196 176 2HD LYS 24 1HD LYS 24 -0.794 -6.753 -17.670 177 1HE LYS 24 2HE LYS 24 0.451 -8.654 -17.085 178 2HE LYS 24 1HE LYS 24 -0.983 -9.670 -16.956 179 1HZ LYS 24 2HZ LYS 24 -1.271 -9.357 -19.393 180 2HZ LYS 24 1HZ LYS 24 0.253 -8.608 -19.432 181 3HZ LYS 24 3HZ LYS 24 0.121 -10.231 -18.961 182 H THR 25 H THR 25 -2.804 -4.988 -13.305 183 HA THR 25 HA THR 25 -3.103 -7.223 -11.499 184 HB THR 25 HB THR 25 -2.180 -5.759 -9.835 185 HG1 THR 25 HG1 THR 25 -2.059 -3.414 -10.657 186 1HG2 THR 25 3HG2 THR 25 -1.099 -5.837 -12.500 187 2HG2 THR 25 2HG2 THR 25 -0.693 -4.297 -11.744 188 3HG2 THR 25 1HG2 THR 25 -0.240 -5.809 -10.961 189 H LEU 26 H LEU 26 -5.035 -4.522 -12.474 190 HA LEU 26 HA LEU 26 -7.275 -4.000 -12.042 191 1HB LEU 26 2HB LEU 26 -6.987 -6.833 -11.292 192 2HB LEU 26 1HB LEU 26 -8.336 -6.007 -10.510 193 HG LEU 26 HG LEU 26 -7.805 -5.925 -13.492 194 1HD1 LEU 26 2HD1 LEU 26 -8.450 -8.199 -12.395 195 2HD1 LEU 26 1HD1 LEU 26 -10.029 -7.452 -12.152 196 3HD1 LEU 26 3HD1 LEU 26 -9.385 -7.642 -13.782 197 1HD2 LEU 26 3HD2 LEU 26 -9.145 -4.083 -12.200 198 2HD2 LEU 26 2HD2 LEU 26 -9.843 -4.773 -13.666 199 3HD2 LEU 26 1HD2 LEU 26 -10.397 -5.320 -12.083 200 H ASP 27 H ASP 27 -6.039 -2.390 -10.507 201 HA ASP 27 HA ASP 27 -7.517 -1.951 -8.188 202 1HB ASP 27 2HB ASP 27 -5.699 -4.172 -7.880 203 2HB ASP 27 1HB ASP 27 -5.298 -2.890 -6.739 204 H ARG 28 H ARG 28 -6.497 -0.344 -6.677 205 HA ARG 28 HA ARG 28 -4.654 1.396 -8.139 206 1HB ARG 28 2HB ARG 28 -6.555 2.037 -6.423 207 2HB ARG 28 1HB ARG 28 -5.303 1.734 -5.219 208 1HG ARG 28 2HG ARG 28 -5.030 4.020 -5.677 209 2HG ARG 28 1HG ARG 28 -3.821 3.268 -6.719 210 1HD ARG 28 2HD ARG 28 -4.801 4.446 -8.390 211 2HD ARG 28 1HD ARG 28 -6.065 3.219 -8.314 212 HE ARG 28 HE ARG 28 -6.283 5.672 -6.631 213 1HH1 ARG 28 2HH1 ARG 28 -8.641 4.236 -6.314 214 2HH1 ARG 28 1HH1 ARG 28 -9.658 4.665 -7.648 215 1HH2 ARG 28 1HH2 ARG 28 -7.062 5.940 -9.561 216 2HH2 ARG 28 2HH2 ARG 28 -8.764 5.630 -9.487 217 H TYR 29 H TYR 29 -2.417 1.600 -7.697 218 HA TYR 29 HA TYR 29 -1.362 -0.025 -5.446 219 1HB TYR 29 2HB TYR 29 -0.590 -0.339 -8.354 220 2HB TYR 29 1HB TYR 29 0.352 -0.999 -7.018 221 HD1 TYR 29 HD2 TYR 29 -0.801 -2.585 -5.384 222 HD2 TYR 29 HD1 TYR 29 -2.508 -1.477 -9.163 223 HE1 TYR 29 HE2 TYR 29 -2.296 -4.560 -5.283 224 HE2 TYR 29 HE1 TYR 29 -4.009 -3.450 -9.061 225 HH TYR 29 HH TYR 29 -4.455 -5.276 -6.227 226 H ALA 30 H ALA 30 0.429 0.831 -4.508 227 HA ALA 30 HA ALA 30 1.551 3.306 -5.750 228 1HB ALA 30 3HB ALA 30 0.962 2.476 -2.964 229 2HB ALA 30 2HB ALA 30 2.487 3.332 -3.193 230 3HB ALA 30 1HB ALA 30 0.970 4.089 -3.678 231 H ASN 31 H ASN 31 3.521 2.977 -6.676 232 HA ASN 31 HA ASN 31 5.013 0.532 -6.183 233 1HB ASN 31 2HB ASN 31 6.596 1.411 -7.815 234 2HB ASN 31 1HB ASN 31 4.954 1.679 -8.398 235 1HD2 ASN 31 2HD2 ASN 31 7.324 4.835 -8.115 236 2HD2 ASN 31 1HD2 ASN 31 7.850 3.225 -8.246 237 H TYR 32 H TYR 32 5.321 0.890 -3.800 238 HA TYR 32 HA TYR 32 6.958 3.054 -2.833 239 1HB TYR 32 2HB TYR 32 5.466 1.138 -1.619 240 2HB TYR 32 1HB TYR 32 7.073 0.440 -1.423 241 HD1 TYR 32 HD1 TYR 32 5.397 3.796 -1.154 242 HD2 TYR 32 HD2 TYR 32 8.274 1.052 0.471 243 HE1 TYR 32 HE1 TYR 32 5.861 5.378 0.698 244 HE2 TYR 32 HE2 TYR 32 8.737 2.634 2.322 245 HH TYR 32 HH TYR 32 6.789 5.498 2.821 246 H GLU 33 H GLU 33 9.240 2.891 -2.197 247 HA GLU 33 HA GLU 33 10.858 1.620 -4.202 248 1HB GLU 33 2HB GLU 33 11.582 3.647 -2.974 249 2HB GLU 33 1HB GLU 33 11.688 2.699 -1.490 250 1HG GLU 33 2HG GLU 33 13.300 1.165 -2.729 251 2HG GLU 33 1HG GLU 33 13.340 2.381 -4.007 252 H GLY 34 H GLY 34 10.276 -0.626 -4.137 253 1HA GLY 34 2HA GLY 34 11.156 -2.787 -3.534 254 2HA GLY 34 1HA GLY 34 11.693 -2.111 -1.996 255 H CYS 35 H CYS 35 8.544 -1.118 -2.740 256 HA CYS 35 HA CYS 35 7.258 -3.460 -1.465 257 1HB CYS 35 2HB CYS 35 8.052 -1.274 0.084 258 2HB CYS 35 1HB CYS 35 6.337 -0.993 -0.216 259 H LEU 36 H LEU 36 5.088 -3.657 -2.093 260 HA LEU 36 HA LEU 36 4.047 -1.428 -3.794 261 1HB LEU 36 2HB LEU 36 4.698 -3.508 -5.053 262 2HB LEU 36 1HB LEU 36 3.464 -4.377 -4.162 263 HG LEU 36 HG LEU 36 2.927 -3.332 -6.537 264 1HD1 LEU 36 1HD1 LEU 36 1.448 -4.404 -4.633 265 2HD1 LEU 36 3HD1 LEU 36 0.871 -2.752 -4.459 266 3HD1 LEU 36 2HD1 LEU 36 0.701 -3.585 -6.001 267 1HD2 LEU 36 2HD2 LEU 36 3.666 -1.022 -5.658 268 2HD2 LEU 36 1HD2 LEU 36 2.123 -1.092 -6.504 269 3HD2 LEU 36 3HD2 LEU 36 2.159 -1.021 -4.744 270 H TRP 37 H TRP 37 2.309 -0.501 -2.884 271 HA TRP 37 HA TRP 37 0.669 -2.068 -0.967 272 1HB TRP 37 2HB TRP 37 0.499 0.904 -1.535 273 2HB TRP 37 1HB TRP 37 -0.180 0.027 -0.171 274 HD1 TRP 37 HD1 TRP 37 3.376 0.377 -1.675 275 HE1 TRP 37 HE1 TRP 37 5.018 0.696 0.278 276 HE3 TRP 37 HE3 TRP 37 0.103 0.182 2.249 277 HZ2 TRP 37 HZ2 TRP 37 4.948 0.849 3.147 278 HZ3 TRP 37 HZ3 TRP 37 0.912 0.407 4.570 279 HH2 TRP 37 HH2 TRP 37 3.331 0.747 5.029 280 H ASN 38 H ASN 38 -1.771 -1.493 -1.091 281 HA ASN 38 HA ASN 38 -2.627 -1.142 -3.917 282 1HB ASN 38 2HB ASN 38 -3.319 -3.281 -4.099 283 2HB ASN 38 1HB ASN 38 -2.613 -3.618 -2.525 284 1HD2 ASN 38 2HD2 ASN 38 -6.649 -2.804 -2.693 285 2HD2 ASN 38 1HD2 ASN 38 -5.621 -2.106 -3.850 286 H ALA 39 H ALA 39 -3.937 0.579 -3.897 287 HA ALA 39 HA ALA 39 -5.562 1.125 -1.470 288 1HB ALA 39 2HB ALA 39 -4.458 2.786 -3.691 289 2HB ALA 39 1HB ALA 39 -5.979 3.307 -2.965 290 3HB ALA 39 3HB ALA 39 -4.539 3.131 -1.963 291 H THR 40 H THR 40 -7.807 1.513 -1.659 292 HA THR 40 HA THR 40 -9.143 -0.096 -3.687 293 HB THR 40 HB THR 40 -11.060 0.164 -2.368 294 HG1 THR 40 HG1 THR 40 -11.262 2.013 -0.967 295 1HG2 THR 40 2HG2 THR 40 -8.892 -0.631 -1.108 296 2HG2 THR 40 1HG2 THR 40 -9.069 0.891 -0.235 297 3HG2 THR 40 3HG2 THR 40 -10.362 -0.310 -0.191 298 H GLY 41 H GLY 41 -11.507 1.599 -3.938 299 1HA GLY 41 2HA GLY 41 -10.424 3.502 -5.958 300 2HA GLY 41 1HA GLY 41 -12.064 2.852 -5.954 301 H VAL 42 H VAL 42 -11.798 3.434 -2.849 302 HA VAL 42 HA VAL 42 -12.785 6.237 -3.118 303 HB VAL 42 HB VAL 42 -13.281 4.095 -1.035 304 1HG1 VAL 42 3HG1 VAL 42 -13.686 7.058 -0.973 305 2HG1 VAL 42 2HG1 VAL 42 -14.943 6.039 -0.274 306 3HG1 VAL 42 1HG1 VAL 42 -13.294 5.952 0.344 307 1HG2 VAL 42 1HG2 VAL 42 -14.939 5.504 -3.134 308 2HG2 VAL 42 3HG2 VAL 42 -14.684 3.771 -2.927 309 3HG2 VAL 42 2HG2 VAL 42 -15.684 4.659 -1.777 310 H VAL 43 H VAL 43 -10.508 6.986 -3.139 311 HA VAL 43 HA VAL 43 -9.488 7.273 -0.356 312 HB VAL 43 HB VAL 43 -7.533 6.900 -2.602 313 1HG1 VAL 43 2HG1 VAL 43 -7.522 7.121 0.283 314 2HG1 VAL 43 1HG1 VAL 43 -6.767 5.607 -0.214 315 3HG1 VAL 43 3HG1 VAL 43 -6.158 7.142 -0.834 316 1HG2 VAL 43 3HG2 VAL 43 -9.087 4.980 -2.769 317 2HG2 VAL 43 2HG2 VAL 43 -7.507 4.471 -2.171 318 3HG2 VAL 43 1HG2 VAL 43 -8.858 4.651 -1.051 319 H VAL 44 H VAL 44 -7.581 9.013 -0.492 320 HA VAL 44 HA VAL 44 -8.768 11.351 -1.833 321 HB VAL 44 HB VAL 44 -6.277 11.154 -0.111 322 1HG1 VAL 44 2HG1 VAL 44 -6.752 13.174 -1.721 323 2HG1 VAL 44 1HG1 VAL 44 -7.973 13.603 -0.524 324 3HG1 VAL 44 3HG1 VAL 44 -6.277 13.492 -0.053 325 1HG2 VAL 44 2HG2 VAL 44 -8.480 10.431 0.958 326 2HG2 VAL 44 1HG2 VAL 44 -7.662 11.779 1.747 327 3HG2 VAL 44 3HG2 VAL 44 -9.045 12.081 0.696 328 H CYS 45 H CYS 45 -8.136 11.953 -3.853 329 HA CYS 45 HA CYS 45 -5.335 11.348 -4.679 330 1HB CYS 45 2HB CYS 45 -7.888 10.553 -6.022 331 2HB CYS 45 1HB CYS 45 -6.507 10.969 -7.032 332 H THR 46 H THR 46 -4.350 13.094 -5.580 333 HA THR 46 HA THR 46 -6.058 15.254 -6.715 334 HB THR 46 HB THR 46 -5.216 15.742 -4.349 335 HG1 THR 46 HG1 THR 46 -4.032 17.671 -5.880 336 1HG2 THR 46 1HG2 THR 46 -2.883 14.713 -5.168 337 2HG2 THR 46 3HG2 THR 46 -2.578 16.404 -5.569 338 3HG2 THR 46 2HG2 THR 46 -2.967 15.946 -3.910 339 H GLY 47 H GLY 47 -4.812 16.708 -8.165 340 1HA GLY 47 2HA GLY 47 -3.382 17.043 -9.991 341 2HA GLY 47 1HA GLY 47 -2.178 16.120 -9.087 342 H ASP 48 H ASP 48 -5.270 15.460 -10.791 343 HA ASP 48 HA ASP 48 -5.757 13.756 -12.353 344 1HB ASP 48 2HB ASP 48 -2.810 13.107 -12.393 345 2HB ASP 48 1HB ASP 48 -3.997 12.871 -13.675 346 H GLU 49 H GLU 49 -4.869 13.453 -9.322 347 HA GLU 49 HA GLU 49 -5.085 11.730 -7.780 348 1HB GLU 49 2HB GLU 49 -5.642 9.920 -10.151 349 2HB GLU 49 1HB GLU 49 -6.029 9.604 -8.461 350 1HG GLU 49 2HG GLU 49 -7.341 11.906 -8.687 351 2HG GLU 49 1HG GLU 49 -7.363 11.457 -10.392 352 H THR 50 H THR 50 -2.676 12.195 -9.827 353 HA THR 50 HA THR 50 -1.214 9.739 -9.824 354 HB THR 50 HB THR 50 0.807 11.475 -9.812 355 HG1 THR 50 HG1 THR 50 -0.466 13.344 -10.999 356 1HG2 THR 50 2HG2 THR 50 -0.814 10.230 -11.745 357 2HG2 THR 50 1HG2 THR 50 -0.627 11.900 -12.285 358 3HG2 THR 50 3HG2 THR 50 0.799 10.903 -11.984 359 H GLN 51 H GLN 51 -1.625 12.303 -7.426 360 HA GLN 51 HA GLN 51 0.099 10.691 -5.584 361 1HB GLN 51 2HB GLN 51 -0.803 13.548 -5.159 362 2HB GLN 51 1HB GLN 51 0.450 12.670 -4.282 363 1HG GLN 51 2HG GLN 51 1.993 13.311 -5.789 364 2HG GLN 51 1HG GLN 51 1.048 12.590 -7.094 365 1HE2 GLN 51 2HE2 GLN 51 1.058 16.610 -6.615 366 2HE2 GLN 51 1HE2 GLN 51 1.999 15.593 -5.635 367 H CYS 52 H CYS 52 -0.899 9.819 -3.748 368 HA CYS 52 HA CYS 52 -3.567 10.848 -3.025 369 1HB CYS 52 2HB CYS 52 -3.201 7.943 -3.799 370 2HB CYS 52 1HB CYS 52 -4.700 8.709 -3.280 371 H TYR 53 H TYR 53 -4.420 9.865 -1.047 372 HA TYR 53 HA TYR 53 -2.452 8.375 0.584 373 1HB TYR 53 2HB TYR 53 -1.936 10.524 1.399 374 2HB TYR 53 1HB TYR 53 -3.598 11.085 1.232 375 HD1 TYR 53 HD1 TYR 53 -1.320 8.957 3.265 376 HD2 TYR 53 HD2 TYR 53 -5.229 10.713 2.955 377 HE1 TYR 53 HE1 TYR 53 -1.790 8.331 5.624 378 HE2 TYR 53 HE2 TYR 53 -5.694 10.092 5.310 379 HH TYR 53 HH TYR 53 -4.463 7.972 6.932 380 H GLY 54 H GLY 54 -3.459 7.174 2.308 381 1HA GLY 54 2HA GLY 54 -5.926 7.135 3.377 382 2HA GLY 54 1HA GLY 54 -6.298 6.576 1.744 383 H THR 55 H THR 55 -6.525 4.388 1.780 384 HA THR 55 HA THR 55 -4.615 2.839 3.487 385 HB THR 55 HB THR 55 -6.400 0.991 3.211 386 HG1 THR 55 HG1 THR 55 -7.491 2.136 1.508 387 1HG2 THR 55 3HG2 THR 55 -6.240 3.279 4.957 388 2HG2 THR 55 2HG2 THR 55 -7.924 2.791 4.755 389 3HG2 THR 55 1HG2 THR 55 -6.731 1.628 5.333 390 H TRP 56 H TRP 56 -3.235 1.569 2.493 391 HA TRP 56 HA TRP 56 -3.712 0.714 -0.323 392 1HB TRP 56 2HB TRP 56 -1.083 1.521 0.901 393 2HB TRP 56 1HB TRP 56 -1.403 1.166 -0.798 394 HD1 TRP 56 HD1 TRP 56 -2.365 3.747 1.896 395 HE1 TRP 56 HE1 TRP 56 -2.918 5.964 0.710 396 HE3 TRP 56 HE3 TRP 56 -1.960 2.237 -2.946 397 HZ2 TRP 56 HZ2 TRP 56 -3.153 6.965 -1.984 398 HZ3 TRP 56 HZ3 TRP 56 -2.354 3.816 -4.806 399 HH2 TRP 56 HH2 TRP 56 -2.950 6.182 -4.336 400 H VAL 57 H VAL 57 -4.425 -1.291 1.104 401 HA VAL 57 HA VAL 57 -2.718 -2.675 2.821 402 HB VAL 57 HB VAL 57 -4.561 -3.813 0.692 403 1HG1 VAL 57 3HG1 VAL 57 -3.059 -5.154 2.954 404 2HG1 VAL 57 2HG1 VAL 57 -4.458 -5.881 2.162 405 3HG1 VAL 57 1HG1 VAL 57 -2.993 -5.552 1.237 406 1HG2 VAL 57 3HG2 VAL 57 -4.852 -3.406 3.686 407 2HG2 VAL 57 2HG2 VAL 57 -5.652 -2.455 2.435 408 3HG2 VAL 57 1HG2 VAL 57 -6.055 -4.159 2.640 409 HA PRO 58 HA PRO 58 0.763 -3.438 0.192 410 1HB PRO 58 2HB PRO 58 2.152 -4.967 2.010 411 2HB PRO 58 1HB PRO 58 2.108 -3.197 2.037 412 1HG PRO 58 2HG PRO 58 0.651 -5.143 3.781 413 2HG PRO 58 1HG PRO 58 1.226 -3.508 4.161 414 1HD PRO 58 2HD PRO 58 -1.429 -4.174 3.568 415 2HD PRO 58 1HD PRO 58 -0.742 -2.539 3.451 416 H ILE 59 H ILE 59 0.925 -4.979 -1.364 417 HA ILE 59 HA ILE 59 -0.146 -7.695 -0.734 418 HB ILE 59 HB ILE 59 -0.707 -7.807 -3.183 419 1HG1 ILE 59 2HG1 ILE 59 0.974 -5.853 -3.622 420 2HG1 ILE 59 1HG1 ILE 59 -0.507 -5.926 -4.574 421 1HG2 ILE 59 2HG2 ILE 59 -2.383 -7.226 -1.423 422 2HG2 ILE 59 1HG2 ILE 59 -2.021 -5.521 -1.688 423 3HG2 ILE 59 3HG2 ILE 59 -2.738 -6.481 -2.982 424 1HD1 ILE 59 2HD1 ILE 59 -0.953 -4.473 -2.099 425 2HD1 ILE 59 1HD1 ILE 59 0.380 -3.768 -3.008 426 3HD1 ILE 59 3HD1 ILE 59 -1.204 -3.942 -3.762 427 H GLY 60 H GLY 60 2.475 -5.859 -2.277 428 1HA GLY 60 2HA GLY 60 3.982 -8.400 -2.351 429 2HA GLY 60 1HA GLY 60 3.727 -7.629 -3.906 430 H LEU 61 H LEU 61 5.837 -7.080 -4.342 431 HA LEU 61 HA LEU 61 7.245 -5.417 -2.317 432 1HB LEU 61 2HB LEU 61 8.536 -6.655 -4.736 433 2HB LEU 61 1HB LEU 61 9.274 -6.193 -3.201 434 HG LEU 61 HG LEU 61 7.300 -8.461 -3.619 435 1HD1 LEU 61 2HD1 LEU 61 10.025 -8.413 -4.100 436 2HD1 LEU 61 1HD1 LEU 61 9.927 -9.030 -2.450 437 3HD1 LEU 61 3HD1 LEU 61 9.075 -9.858 -3.753 438 1HD2 LEU 61 2HD2 LEU 61 8.064 -6.946 -1.265 439 2HD2 LEU 61 1HD2 LEU 61 6.852 -8.218 -1.424 440 3HD2 LEU 61 3HD2 LEU 61 8.533 -8.639 -1.098 441 H ALA 62 H ALA 62 6.098 -5.314 -5.705 442 HA ALA 62 HA ALA 62 6.619 -2.424 -5.598 443 1HB ALA 62 3HB ALA 62 8.750 -3.587 -6.394 444 2HB ALA 62 2HB ALA 62 7.866 -3.938 -7.880 445 3HB ALA 62 1HB ALA 62 8.139 -2.266 -7.389 446 H ILE 63 H ILE 63 6.026 -4.706 -8.352 447 HA ILE 63 HA ILE 63 3.615 -3.016 -8.867 448 HB ILE 63 HB ILE 63 5.842 -3.294 -10.456 449 1HG1 ILE 63 2HG1 ILE 63 4.009 -1.555 -10.466 450 2HG1 ILE 63 1HG1 ILE 63 4.593 -2.017 -12.063 451 1HG2 ILE 63 3HG2 ILE 63 4.808 -5.673 -10.935 452 2HG2 ILE 63 2HG2 ILE 63 3.729 -4.769 -11.994 453 3HG2 ILE 63 1HG2 ILE 63 5.472 -4.712 -12.256 454 1HD1 ILE 63 1HD1 ILE 63 2.152 -3.243 -10.755 455 2HD1 ILE 63 3HD1 ILE 63 2.082 -1.888 -11.886 456 3HD1 ILE 63 2HD1 ILE 63 2.689 -3.456 -12.420 457 HA PRO 64 HA PRO 64 2.459 -7.669 -9.174 458 1HB PRO 64 2HB PRO 64 2.146 -8.520 -6.587 459 2HB PRO 64 1HB PRO 64 3.641 -8.754 -7.511 460 1HG PRO 64 2HG PRO 64 3.052 -6.772 -5.352 461 2HG PRO 64 1HG PRO 64 4.592 -7.544 -5.774 462 1HD PRO 64 2HD PRO 64 3.862 -4.929 -6.466 463 2HD PRO 64 1HD PRO 64 5.140 -5.884 -7.247 464 H GLU 65 H GLU 65 0.253 -8.361 -8.866 465 HA GLU 65 HA GLU 65 -1.583 -6.188 -8.143 466 1HB GLU 65 2HB GLU 65 -3.335 -7.640 -8.994 467 2HB GLU 65 1HB GLU 65 -1.969 -7.722 -10.107 468 1HG GLU 65 2HG GLU 65 -1.743 -9.691 -7.964 469 2HG GLU 65 1HG GLU 65 -3.226 -9.898 -8.896 470 H ASN 66 H ASN 66 -3.717 -7.813 -7.102 471 HA ASN 66 HA ASN 66 -2.832 -7.955 -4.308 472 1HB ASN 66 2HB ASN 66 -5.256 -8.576 -3.912 473 2HB ASN 66 1HB ASN 66 -5.017 -7.015 -4.700 474 1HD2 ASN 66 2HD2 ASN 66 -6.626 -7.985 -7.693 475 2HD2 ASN 66 1HD2 ASN 66 -5.795 -6.761 -6.859 476 H ALA 67 H ALA 67 -3.911 -10.207 -6.829 477 HA ALA 67 HA ALA 67 -4.118 -12.559 -5.292 478 1HB ALA 67 1HB ALA 67 -3.774 -11.882 -8.107 479 2HB ALA 67 3HB ALA 67 -2.936 -13.376 -7.688 480 3HB ALA 67 2HB ALA 67 -4.666 -13.220 -7.381 481 H ALA 68 H ALA 68 -1.243 -10.933 -6.556 482 HA ALA 68 HA ALA 68 1.041 -11.380 -6.219 483 1HB ALA 68 1HB ALA 68 0.143 -10.826 -3.882 484 2HB ALA 68 3HB ALA 68 0.141 -12.565 -3.586 485 3HB ALA 68 2HB ALA 68 1.654 -11.733 -3.944 486 H ALA 69 H ALA 69 0.650 -13.148 -7.924 487 HA ALA 69 HA ALA 69 1.380 -15.783 -6.716 488 1HB ALA 69 2HB ALA 69 -1.031 -15.540 -7.702 489 2HB ALA 69 1HB ALA 69 -0.214 -15.595 -9.264 490 3HB ALA 69 3HB ALA 69 -0.071 -16.950 -8.146 491 H HIS 70 HN HIS 70 3.582 -14.816 -7.208 492 HA HIS 70 HA HIS 70 4.316 -14.489 -10.011 493 1HB HIS 70 2HB HIS 70 6.500 -14.003 -9.219 494 2HB HIS 70 1HB HIS 70 5.425 -13.359 -7.980 495 HD1 HIS 70 HD1 HIS 70 8.115 -15.819 -8.532 496 HD2 HIS 70 HD2 HIS 70 5.235 -15.084 -5.610 497 HE1 HIS 70 HE1 HIS 70 8.814 -17.142 -6.490 No H/Q in entry = 497 Start of MODEL 7 1 1H GLU 1 2H GLU 1 13.053 -7.488 -0.841 2 2H GLU 1 1H GLU 1 12.241 -6.524 -1.980 3 3H GLU 1 3H GLU 1 13.580 -5.902 -1.148 4 HA GLU 1 HA GLU 1 12.413 -5.425 0.703 5 1HB GLU 1 2HB GLU 1 11.181 -4.268 -1.058 6 2HB GLU 1 1HB GLU 1 10.227 -5.721 -1.374 7 1HG GLU 1 2HG GLU 1 8.991 -4.104 0.052 8 2HG GLU 1 1HG GLU 1 9.283 -5.630 0.886 9 H THR 2 H THR 2 11.364 -8.367 -0.863 10 HA THR 2 HA THR 2 10.551 -10.350 0.118 11 HB THR 2 HB THR 2 10.448 -9.124 2.838 12 HG1 THR 2 HG1 THR 2 12.424 -8.478 2.693 13 1HG2 THR 2 2HG2 THR 2 10.128 -11.635 1.967 14 2HG2 THR 2 1HG2 THR 2 11.883 -11.646 2.143 15 3HG2 THR 2 3HG2 THR 2 10.859 -11.283 3.533 16 H VAL 3 H VAL 3 8.414 -10.945 0.088 17 HA VAL 3 HA VAL 3 6.408 -8.837 0.245 18 HB VAL 3 HB VAL 3 6.481 -11.031 -1.240 19 1HG1 VAL 3 1HG1 VAL 3 6.491 -12.507 0.822 20 2HG1 VAL 3 3HG1 VAL 3 4.832 -11.986 1.114 21 3HG1 VAL 3 2HG1 VAL 3 5.229 -12.882 -0.352 22 1HG2 VAL 3 1HG2 VAL 3 4.162 -9.572 -0.028 23 2HG2 VAL 3 3HG2 VAL 3 4.720 -9.596 -1.703 24 3HG2 VAL 3 2HG2 VAL 3 3.836 -10.975 -1.046 25 H GLU 4 H GLU 4 7.565 -11.427 2.319 26 HA GLU 4 HA GLU 4 5.438 -11.465 4.216 27 1HB GLU 4 2HB GLU 4 7.572 -12.980 3.989 28 2HB GLU 4 1HB GLU 4 8.311 -11.775 5.046 29 1HG GLU 4 2HG GLU 4 5.627 -12.759 5.859 30 2HG GLU 4 1HG GLU 4 6.953 -13.914 5.991 31 H SER 5 H SER 5 8.343 -9.425 3.987 32 HA SER 5 HA SER 5 7.657 -7.970 6.431 33 1HB SER 5 2HB SER 5 9.626 -6.677 6.011 34 2HB SER 5 1HB SER 5 10.024 -8.320 5.520 35 HG SER 5 HG SER 5 9.304 -6.109 3.901 36 H CYS 6 H CYS 6 7.680 -7.212 2.931 37 HA CYS 6 HA CYS 6 6.621 -4.602 3.095 38 1HB CYS 6 2HB CYS 6 7.249 -5.295 0.929 39 2HB CYS 6 1HB CYS 6 6.336 -6.796 1.044 40 H LEU 7 H LEU 7 5.153 -7.670 3.757 41 HA LEU 7 HA LEU 7 2.439 -6.481 3.809 42 1HB LEU 7 2HB LEU 7 3.391 -9.313 4.323 43 2HB LEU 7 1HB LEU 7 1.704 -8.797 4.327 44 HG LEU 7 HG LEU 7 3.536 -8.372 1.955 45 1HD1 LEU 7 3HD1 LEU 7 1.602 -10.648 2.504 46 2HD1 LEU 7 2HD1 LEU 7 2.401 -10.348 0.960 47 3HD1 LEU 7 1HD1 LEU 7 3.356 -10.784 2.377 48 1HD2 LEU 7 1HD2 LEU 7 1.062 -7.313 2.604 49 2HD2 LEU 7 3HD2 LEU 7 1.725 -7.435 0.974 50 3HD2 LEU 7 2HD2 LEU 7 0.642 -8.688 1.581 51 H ALA 8 H ALA 8 5.002 -7.588 5.906 52 HA ALA 8 HA ALA 8 3.501 -7.558 8.374 53 1HB ALA 8 3HB ALA 8 5.941 -8.471 7.798 54 2HB ALA 8 2HB ALA 8 6.415 -6.855 8.321 55 3HB ALA 8 1HB ALA 8 5.543 -7.919 9.425 56 H LYS 9 H LYS 9 4.492 -5.197 6.209 57 HA LYS 9 HA LYS 9 5.208 -2.908 7.579 58 1HB LYS 9 2HB LYS 9 3.400 -3.465 5.218 59 2HB LYS 9 1HB LYS 9 3.760 -1.820 5.696 60 1HG LYS 9 2HG LYS 9 6.256 -3.006 5.731 61 2HG LYS 9 1HG LYS 9 5.474 -3.767 4.349 62 1HD LYS 9 2HD LYS 9 5.860 -1.913 3.142 63 2HD LYS 9 1HD LYS 9 4.818 -1.014 4.243 64 1HE LYS 9 2HE LYS 9 6.854 -0.838 5.788 65 2HE LYS 9 1HE LYS 9 7.807 -1.399 4.415 66 1HZ LYS 9 1HZ LYS 9 6.686 0.464 3.138 67 2HZ LYS 9 3HZ LYS 9 6.206 1.076 4.646 68 3HZ LYS 9 2HZ LYS 9 7.858 0.916 4.282 69 HA PRO 10 HA PRO 10 1.687 -1.672 9.957 70 1HB PRO 10 2HB PRO 10 1.143 0.926 9.214 71 2HB PRO 10 1HB PRO 10 2.514 0.455 10.233 72 1HG PRO 10 2HG PRO 10 2.502 1.287 7.376 73 2HG PRO 10 1HG PRO 10 3.807 1.389 8.569 74 1HD PRO 10 2HD PRO 10 3.557 -0.545 6.524 75 2HD PRO 10 1HD PRO 10 4.690 -0.620 7.890 76 H HIS 11 H HIS 11 1.374 -2.235 6.765 77 HA HIS 11 HA HIS 11 -0.418 -2.880 5.466 78 1HB HIS 11 2HB HIS 11 -1.576 -2.725 8.155 79 2HB HIS 11 1HB HIS 11 -2.744 -2.451 6.856 80 HD1 HIS 11 HD1 HIS 11 -3.883 -4.724 6.853 81 HD2 HIS 11 HD2 HIS 11 0.269 -5.025 6.552 82 HE1 HIS 11 HE1 HIS 11 -3.375 -7.147 6.318 83 H THR 12 H THR 12 -2.363 -2.071 4.506 84 HA THR 12 HA THR 12 -2.417 0.007 3.020 85 HB THR 12 HB THR 12 -4.323 -1.576 3.926 86 HG1 THR 12 HG1 THR 12 -5.587 -0.701 2.437 87 1HG2 THR 12 3HG2 THR 12 -5.019 1.140 5.040 88 2HG2 THR 12 2HG2 THR 12 -6.187 -0.165 4.837 89 3HG2 THR 12 1HG2 THR 12 -4.830 -0.361 5.946 90 H GLU 13 H GLU 13 -3.359 0.675 6.439 91 HA GLU 13 HA GLU 13 -3.742 3.409 6.182 92 1HB GLU 13 2HB GLU 13 -3.766 1.975 8.344 93 2HB GLU 13 1HB GLU 13 -2.049 2.370 8.457 94 1HG GLU 13 2HG GLU 13 -3.014 4.838 7.964 95 2HG GLU 13 1HG GLU 13 -4.423 4.141 8.766 96 H ASN 14 H ASN 14 -2.511 4.469 4.718 97 HA ASN 14 HA ASN 14 -0.092 5.693 5.360 98 1HB ASN 14 2HB ASN 14 0.332 2.943 4.759 99 2HB ASN 14 1HB ASN 14 0.928 3.859 3.376 100 1HD2 ASN 14 2HD2 ASN 14 3.636 5.312 5.167 101 2HD2 ASN 14 1HD2 ASN 14 2.716 5.364 3.741 102 H SER 15 H SER 15 1.092 5.437 2.623 103 HA SER 15 HA SER 15 -0.875 5.778 0.623 104 1HB SER 15 2HB SER 15 -0.760 8.319 0.473 105 2HB SER 15 1HB SER 15 -1.705 7.672 1.809 106 HG SER 15 HG SER 15 0.762 8.974 1.803 107 H PHE 16 H PHE 16 0.151 7.653 -1.013 108 HA PHE 16 HA PHE 16 3.005 7.766 -1.136 109 1HB PHE 16 2HB PHE 16 2.600 5.294 -1.533 110 2HB PHE 16 1HB PHE 16 1.748 5.741 -3.010 111 HD1 PHE 16 HD2 PHE 16 2.939 6.881 -4.851 112 HD2 PHE 16 HD1 PHE 16 5.006 5.418 -1.386 113 HE1 PHE 16 HE2 PHE 16 5.092 7.067 -6.061 114 HE2 PHE 16 HE1 PHE 16 7.164 5.598 -2.595 115 HZ PHE 16 HZ PHE 16 7.208 6.423 -4.934 116 H THR 17 H THR 17 3.664 8.809 -3.266 117 HA THR 17 HA THR 17 1.278 10.092 -4.525 118 HB THR 17 HB THR 17 2.249 12.050 -4.025 119 HG1 THR 17 HG1 THR 17 4.333 12.418 -5.212 120 1HG2 THR 17 3HG2 THR 17 3.574 10.685 -2.316 121 2HG2 THR 17 2HG2 THR 17 4.902 10.709 -3.475 122 3HG2 THR 17 1HG2 THR 17 4.289 12.221 -2.807 123 H ASN 18 H ASN 18 1.545 10.682 -6.857 124 HA ASN 18 HA ASN 18 2.149 10.115 -9.069 125 1HB ASN 18 2HB ASN 18 4.531 10.136 -7.969 126 2HB ASN 18 1HB ASN 18 4.371 8.379 -8.010 127 1HD2 ASN 18 2HD2 ASN 18 5.875 9.645 -11.251 128 2HD2 ASN 18 1HD2 ASN 18 6.287 9.895 -9.625 129 H VAL 19 H VAL 19 0.765 8.370 -6.862 130 HA VAL 19 HA VAL 19 0.910 5.670 -7.187 131 HB VAL 19 HB VAL 19 -1.646 7.295 -7.270 132 1HG1 VAL 19 2HG1 VAL 19 -1.052 4.421 -6.508 133 2HG1 VAL 19 1HG1 VAL 19 -2.571 5.237 -6.136 134 3HG1 VAL 19 3HG1 VAL 19 -2.095 4.981 -7.815 135 1HG2 VAL 19 1HG2 VAL 19 0.337 7.307 -5.335 136 2HG2 VAL 19 3HG2 VAL 19 -1.354 7.725 -5.061 137 3HG2 VAL 19 2HG2 VAL 19 -0.786 6.088 -4.734 138 H TRP 20 H TRP 20 -0.069 4.114 -8.584 139 HA TRP 20 HA TRP 20 -0.912 5.126 -11.256 140 1HB TRP 20 2HB TRP 20 0.700 3.970 -12.382 141 2HB TRP 20 1HB TRP 20 1.549 3.926 -10.844 142 HD1 TRP 20 HD1 TRP 20 -0.565 1.760 -13.181 143 HE1 TRP 20 HE1 TRP 20 -0.353 -0.708 -12.465 144 HE3 TRP 20 HE3 TRP 20 2.094 2.333 -8.864 145 HZ2 TRP 20 HZ2 TRP 20 0.828 -2.233 -10.360 146 HZ3 TRP 20 HZ3 TRP 20 2.764 0.360 -7.535 147 HH2 TRP 20 HH2 TRP 20 2.130 -1.923 -8.276 148 H LYS 21 H LYS 21 -1.798 2.914 -12.448 149 HA LYS 21 HA LYS 21 -3.266 1.270 -10.479 150 1HB LYS 21 2HB LYS 21 -4.745 3.224 -10.938 151 2HB LYS 21 1HB LYS 21 -4.703 2.817 -12.657 152 1HG LYS 21 2HG LYS 21 -5.342 0.402 -11.458 153 2HG LYS 21 1HG LYS 21 -6.238 1.578 -10.492 154 1HD LYS 21 2HD LYS 21 -7.718 1.928 -12.156 155 2HD LYS 21 1HD LYS 21 -6.422 2.205 -13.321 156 1HE LYS 21 2HE LYS 21 -6.380 0.004 -14.010 157 2HE LYS 21 1HE LYS 21 -6.903 -0.606 -12.440 158 1HZ LYS 21 1HZ LYS 21 -8.803 1.057 -13.886 159 2HZ LYS 21 3HZ LYS 21 -8.501 -0.475 -14.546 160 3HZ LYS 21 2HZ LYS 21 -9.068 -0.335 -12.950 161 H ASP 22 H ASP 22 -2.742 -0.751 -11.173 162 HA ASP 22 HA ASP 22 -2.257 -1.221 -14.033 163 1HB ASP 22 2HB ASP 22 -1.376 -2.395 -11.582 164 2HB ASP 22 1HB ASP 22 -2.226 -3.637 -12.501 165 H ASP 23 H ASP 23 -3.746 -2.101 -15.370 166 HA ASP 23 HA ASP 23 -6.420 -2.725 -14.355 167 1HB ASP 23 2HB ASP 23 -5.833 -1.661 -16.649 168 2HB ASP 23 1HB ASP 23 -5.408 -3.300 -17.148 169 H LYS 24 H LYS 24 -3.466 -4.346 -14.989 170 HA LYS 24 HA LYS 24 -4.574 -7.024 -15.323 171 1HB LYS 24 2HB LYS 24 -2.011 -5.752 -15.502 172 2HB LYS 24 1HB LYS 24 -1.888 -7.053 -14.320 173 1HG LYS 24 2HG LYS 24 -2.745 -7.249 -17.214 174 2HG LYS 24 1HG LYS 24 -1.404 -8.074 -16.420 175 1HD LYS 24 2HD LYS 24 -3.549 -8.879 -14.896 176 2HD LYS 24 1HD LYS 24 -4.256 -8.794 -16.509 177 1HE LYS 24 2HE LYS 24 -3.199 -10.680 -17.127 178 2HE LYS 24 1HE LYS 24 -1.641 -10.003 -16.654 179 1HZ LYS 24 1HZ LYS 24 -2.556 -10.533 -14.274 180 2HZ LYS 24 3HZ LYS 24 -3.490 -11.673 -15.115 181 3HZ LYS 24 2HZ LYS 24 -1.794 -11.732 -15.204 182 H THR 25 H THR 25 -2.657 -5.415 -12.791 183 HA THR 25 HA THR 25 -3.174 -7.347 -10.749 184 HB THR 25 HB THR 25 -2.466 -5.567 -9.181 185 HG1 THR 25 HG1 THR 25 -2.005 -3.493 -10.187 186 1HG2 THR 25 3HG2 THR 25 -0.999 -6.504 -11.434 187 2HG2 THR 25 2HG2 THR 25 -0.555 -4.816 -11.177 188 3HG2 THR 25 1HG2 THR 25 -0.369 -5.985 -9.870 189 H LEU 26 H LEU 26 -4.945 -4.685 -12.087 190 HA LEU 26 HA LEU 26 -7.180 -4.038 -11.825 191 1HB LEU 26 2HB LEU 26 -7.056 -6.829 -10.962 192 2HB LEU 26 1HB LEU 26 -8.347 -5.929 -10.162 193 HG LEU 26 HG LEU 26 -7.885 -6.090 -13.156 194 1HD1 LEU 26 3HD1 LEU 26 -9.988 -7.261 -11.315 195 2HD1 LEU 26 2HD1 LEU 26 -10.149 -7.208 -13.070 196 3HD1 LEU 26 1HD1 LEU 26 -8.849 -8.144 -12.333 197 1HD2 LEU 26 3HD2 LEU 26 -9.803 -4.513 -11.437 198 2HD2 LEU 26 2HD2 LEU 26 -8.789 -3.938 -12.761 199 3HD2 LEU 26 1HD2 LEU 26 -10.204 -4.932 -13.102 200 H ASP 27 H ASP 27 -5.813 -2.457 -10.305 201 HA ASP 27 HA ASP 27 -7.422 -1.815 -8.080 202 1HB ASP 27 2HB ASP 27 -5.876 -4.118 -7.563 203 2HB ASP 27 1HB ASP 27 -5.101 -2.810 -6.669 204 H ARG 28 H ARG 28 -6.402 -0.158 -6.631 205 HA ARG 28 HA ARG 28 -4.513 1.477 -8.162 206 1HB ARG 28 2HB ARG 28 -6.432 2.265 -6.540 207 2HB ARG 28 1HB ARG 28 -5.233 1.981 -5.278 208 1HG ARG 28 2HG ARG 28 -4.656 4.149 -5.749 209 2HG ARG 28 1HG ARG 28 -3.715 3.377 -7.025 210 1HD ARG 28 2HD ARG 28 -5.220 5.329 -7.746 211 2HD ARG 28 1HD ARG 28 -5.376 3.835 -8.670 212 HE ARG 28 HE ARG 28 -7.256 4.254 -6.414 213 1HH1 ARG 28 1HH2 ARG 28 -6.746 5.050 -9.672 214 2HH1 ARG 28 2HH2 ARG 28 -8.311 4.538 -10.209 215 1HH2 ARG 28 2HH1 ARG 28 -9.215 3.192 -7.143 216 2HH2 ARG 28 1HH1 ARG 28 -9.709 3.486 -8.776 217 H TYR 29 H TYR 29 -2.277 1.755 -7.593 218 HA TYR 29 HA TYR 29 -1.320 0.108 -5.311 219 1HB TYR 29 2HB TYR 29 -0.405 -0.164 -8.182 220 2HB TYR 29 1HB TYR 29 0.485 -0.823 -6.811 221 HD1 TYR 29 HD2 TYR 29 -0.553 -2.569 -5.360 222 HD2 TYR 29 HD1 TYR 29 -2.427 -1.188 -8.969 223 HE1 TYR 29 HE2 TYR 29 -2.042 -4.553 -5.346 224 HE2 TYR 29 HE1 TYR 29 -3.916 -3.171 -8.955 225 HH TYR 29 HH TYR 29 -3.711 -5.606 -6.358 226 H ALA 30 H ALA 30 0.726 0.716 -4.516 227 HA ALA 30 HA ALA 30 1.864 3.230 -5.655 228 1HB ALA 30 1HB ALA 30 1.266 2.588 -2.755 229 2HB ALA 30 3HB ALA 30 2.327 3.905 -3.252 230 3HB ALA 30 2HB ALA 30 0.623 3.924 -3.711 231 H ASN 31 H ASN 31 3.709 2.314 -6.522 232 HA ASN 31 HA ASN 31 5.169 0.147 -5.378 233 1HB ASN 31 2HB ASN 31 7.032 0.957 -6.874 234 2HB ASN 31 1HB ASN 31 5.492 0.735 -7.706 235 1HD2 ASN 31 2HD2 ASN 31 5.158 4.149 -8.545 236 2HD2 ASN 31 1HD2 ASN 31 4.492 2.590 -8.633 237 H TYR 32 H TYR 32 5.904 0.314 -3.296 238 HA TYR 32 HA TYR 32 7.058 2.859 -2.347 239 1HB TYR 32 2HB TYR 32 5.576 1.362 -0.914 240 2HB TYR 32 1HB TYR 32 6.928 0.229 -0.854 241 HD1 TYR 32 HD1 TYR 32 6.562 3.963 -0.619 242 HD2 TYR 32 HD2 TYR 32 8.144 0.370 1.123 243 HE1 TYR 32 HE1 TYR 32 7.606 5.300 1.190 244 HE2 TYR 32 HE2 TYR 32 9.187 1.708 2.932 245 HH TYR 32 HH TYR 32 9.553 5.037 2.778 246 H GLU 33 H GLU 33 8.562 1.970 -4.416 247 HA GLU 33 HA GLU 33 10.662 1.093 -5.058 248 1HB GLU 33 2HB GLU 33 10.852 3.144 -3.099 249 2HB GLU 33 1HB GLU 33 12.106 1.959 -2.733 250 1HG GLU 33 2HG GLU 33 11.696 2.852 -5.572 251 2HG GLU 33 1HG GLU 33 12.608 3.874 -4.461 252 H GLY 34 H GLY 34 9.084 -0.846 -3.517 253 1HA GLY 34 2HA GLY 34 10.807 -2.946 -3.177 254 2HA GLY 34 1HA GLY 34 10.957 -2.096 -1.640 255 H CYS 35 H CYS 35 8.225 -1.207 -1.478 256 HA CYS 35 HA CYS 35 6.850 -3.849 -1.133 257 1HB CYS 35 2HB CYS 35 7.424 -2.922 1.047 258 2HB CYS 35 1HB CYS 35 6.723 -1.366 0.605 259 H LEU 36 H LEU 36 5.187 -3.986 -2.551 260 HA LEU 36 HA LEU 36 4.028 -1.536 -3.681 261 1HB LEU 36 2HB LEU 36 4.464 -3.533 -5.110 262 2HB LEU 36 1HB LEU 36 3.244 -4.414 -4.189 263 HG LEU 36 HG LEU 36 1.669 -2.461 -4.725 264 1HD1 LEU 36 1HD1 LEU 36 3.784 -1.139 -5.538 265 2HD1 LEU 36 3HD1 LEU 36 3.499 -1.984 -7.057 266 3HD1 LEU 36 2HD1 LEU 36 2.253 -0.937 -6.381 267 1HD2 LEU 36 3HD2 LEU 36 2.368 -4.803 -6.169 268 2HD2 LEU 36 2HD2 LEU 36 0.829 -3.942 -6.200 269 3HD2 LEU 36 1HD2 LEU 36 2.092 -3.535 -7.362 270 H TRP 37 H TRP 37 2.332 -0.548 -2.760 271 HA TRP 37 HA TRP 37 0.603 -2.079 -0.887 272 1HB TRP 37 2HB TRP 37 0.561 0.901 -1.481 273 2HB TRP 37 1HB TRP 37 -0.224 0.067 -0.153 274 HD1 TRP 37 HD1 TRP 37 3.431 0.130 -1.441 275 HE1 TRP 37 HE1 TRP 37 4.968 0.451 0.602 276 HE3 TRP 37 HE3 TRP 37 -0.076 0.403 2.269 277 HZ2 TRP 37 HZ2 TRP 37 4.738 0.778 3.435 278 HZ3 TRP 37 HZ3 TRP 37 0.609 0.708 4.621 279 HH2 TRP 37 HH2 TRP 37 3.012 0.902 5.214 280 H ASN 38 H ASN 38 -1.840 -1.429 -1.111 281 HA ASN 38 HA ASN 38 -2.586 -0.897 -3.923 282 1HB ASN 38 2HB ASN 38 -3.796 -2.881 -4.266 283 2HB ASN 38 1HB ASN 38 -2.334 -3.441 -3.464 284 1HD2 ASN 38 2HD2 ASN 38 -5.899 -3.532 -1.428 285 2HD2 ASN 38 1HD2 ASN 38 -5.743 -2.548 -2.804 286 H ALA 39 H ALA 39 -4.186 0.577 -3.898 287 HA ALA 39 HA ALA 39 -5.793 0.885 -1.422 288 1HB ALA 39 1HB ALA 39 -4.524 2.814 -2.692 289 2HB ALA 39 3HB ALA 39 -5.936 2.779 -3.747 290 3HB ALA 39 2HB ALA 39 -6.129 3.112 -2.026 291 H THR 40 H THR 40 -8.053 0.842 -1.484 292 HA THR 40 HA THR 40 -9.284 -0.958 -3.307 293 HB THR 40 HB THR 40 -11.333 -0.420 -2.193 294 HG1 THR 40 HG1 THR 40 -10.008 2.004 -1.588 295 1HG2 THR 40 1HG2 THR 40 -9.007 -1.026 -0.806 296 2HG2 THR 40 3HG2 THR 40 -9.687 0.315 0.116 297 3HG2 THR 40 2HG2 THR 40 -10.645 -1.140 -0.162 298 H GLY 41 H GLY 41 -11.670 1.148 -3.540 299 1HA GLY 41 2HA GLY 41 -10.681 2.200 -6.152 300 2HA GLY 41 1HA GLY 41 -12.370 1.847 -5.792 301 H VAL 42 H VAL 42 -11.541 3.187 -3.010 302 HA VAL 42 HA VAL 42 -12.088 5.957 -4.002 303 HB VAL 42 HB VAL 42 -12.927 4.542 -1.462 304 1HG1 VAL 42 1HG1 VAL 42 -12.745 7.469 -2.117 305 2HG1 VAL 42 3HG1 VAL 42 -14.061 6.889 -1.094 306 3HG1 VAL 42 2HG1 VAL 42 -12.385 6.643 -0.600 307 1HG2 VAL 42 2HG2 VAL 42 -14.265 5.631 -3.917 308 2HG2 VAL 42 1HG2 VAL 42 -14.557 4.113 -3.069 309 3HG2 VAL 42 3HG2 VAL 42 -15.155 5.629 -2.395 310 H VAL 43 H VAL 43 -10.225 7.120 -3.910 311 HA VAL 43 HA VAL 43 -8.690 7.086 -1.369 312 HB VAL 43 HB VAL 43 -7.195 7.070 -3.973 313 1HG1 VAL 43 3HG1 VAL 43 -6.378 7.475 -1.439 314 2HG1 VAL 43 2HG1 VAL 43 -6.282 5.714 -1.484 315 3HG1 VAL 43 1HG1 VAL 43 -5.361 6.677 -2.639 316 1HG2 VAL 43 1HG2 VAL 43 -8.235 4.658 -2.459 317 2HG2 VAL 43 3HG2 VAL 43 -8.561 5.078 -4.141 318 3HG2 VAL 43 2HG2 VAL 43 -6.941 4.578 -3.654 319 H VAL 44 H VAL 44 -7.759 9.110 -0.891 320 HA VAL 44 HA VAL 44 -8.846 11.380 -2.374 321 HB VAL 44 HB VAL 44 -6.913 11.221 -0.047 322 1HG1 VAL 44 2HG1 VAL 44 -8.255 13.564 -1.417 323 2HG1 VAL 44 1HG1 VAL 44 -7.577 13.664 0.209 324 3HG1 VAL 44 3HG1 VAL 44 -6.527 13.308 -1.164 325 1HG2 VAL 44 3HG2 VAL 44 -9.205 10.392 0.392 326 2HG2 VAL 44 2HG2 VAL 44 -8.882 11.891 1.266 327 3HG2 VAL 44 1HG2 VAL 44 -9.862 11.918 -0.200 328 H CYS 45 H CYS 45 -7.816 11.228 -4.459 329 HA CYS 45 HA CYS 45 -4.861 11.610 -4.417 330 1HB CYS 45 2HB CYS 45 -6.458 11.098 -6.915 331 2HB CYS 45 1HB CYS 45 -4.766 10.725 -6.591 332 H THR 46 H THR 46 -3.983 13.505 -5.154 333 HA THR 46 HA THR 46 -5.857 15.496 -6.358 334 HB THR 46 HB THR 46 -5.338 16.047 -3.987 335 HG1 THR 46 HG1 THR 46 -4.659 18.151 -4.433 336 1HG2 THR 46 3HG2 THR 46 -2.631 15.440 -4.954 337 2HG2 THR 46 2HG2 THR 46 -2.730 16.930 -4.016 338 3HG2 THR 46 1HG2 THR 46 -3.273 15.408 -3.312 339 H GLY 47 H GLY 47 -4.535 17.304 -7.469 340 1HA GLY 47 2HA GLY 47 -3.024 17.893 -9.163 341 2HA GLY 47 1HA GLY 47 -1.851 16.889 -8.310 342 H ASP 48 H ASP 48 -4.638 16.616 -10.537 343 HA ASP 48 HA ASP 48 -4.955 15.131 -12.338 344 1HB ASP 48 2HB ASP 48 -2.061 14.322 -12.010 345 2HB ASP 48 1HB ASP 48 -3.033 14.328 -13.482 346 H GLU 49 H GLU 49 -4.792 14.380 -9.325 347 HA GLU 49 HA GLU 49 -5.182 12.471 -8.052 348 1HB GLU 49 2HB GLU 49 -6.018 11.653 -10.810 349 2HB GLU 49 1HB GLU 49 -5.867 10.395 -9.578 350 1HG GLU 49 2HG GLU 49 -8.003 10.995 -9.056 351 2HG GLU 49 1HG GLU 49 -7.217 12.313 -8.185 352 H THR 50 H THR 50 -2.536 12.981 -9.669 353 HA THR 50 HA THR 50 -1.362 10.343 -9.940 354 HB THR 50 HB THR 50 -0.557 12.445 -11.120 355 HG1 THR 50 HG1 THR 50 1.078 11.167 -11.326 356 1HG2 THR 50 1HG2 THR 50 -0.682 13.725 -8.848 357 2HG2 THR 50 3HG2 THR 50 0.924 13.049 -8.573 358 3HG2 THR 50 2HG2 THR 50 0.634 14.097 -9.963 359 H GLN 51 H GLN 51 -1.472 12.811 -7.391 360 HA GLN 51 HA GLN 51 0.130 11.014 -5.641 361 1HB GLN 51 2HB GLN 51 -0.867 13.856 -5.231 362 2HB GLN 51 1HB GLN 51 0.076 12.944 -4.051 363 1HG GLN 51 2HG GLN 51 1.730 12.616 -6.081 364 2HG GLN 51 1HG GLN 51 0.930 14.061 -6.699 365 1HE2 GLN 51 2HE2 GLN 51 1.942 15.795 -3.493 366 2HE2 GLN 51 1HE2 GLN 51 0.438 15.322 -4.123 367 H CYS 52 H CYS 52 -0.872 10.180 -3.673 368 HA CYS 52 HA CYS 52 -3.672 10.884 -3.214 369 1HB CYS 52 2HB CYS 52 -3.443 9.099 -5.135 370 2HB CYS 52 1HB CYS 52 -3.201 7.987 -3.790 371 H TYR 53 H TYR 53 -4.554 9.949 -1.274 372 HA TYR 53 HA TYR 53 -2.643 8.464 0.433 373 1HB TYR 53 2HB TYR 53 -2.221 10.550 1.370 374 2HB TYR 53 1HB TYR 53 -3.822 11.164 0.969 375 HD1 TYR 53 HD1 TYR 53 -2.038 8.769 3.230 376 HD2 TYR 53 HD2 TYR 53 -5.563 11.134 2.566 377 HE1 TYR 53 HE1 TYR 53 -2.833 8.223 5.518 378 HE2 TYR 53 HE2 TYR 53 -6.353 10.596 4.853 379 HH TYR 53 HH TYR 53 -4.843 9.805 7.180 380 H GLY 54 H GLY 54 -3.686 7.197 2.091 381 1HA GLY 54 2HA GLY 54 -6.225 7.073 3.009 382 2HA GLY 54 1HA GLY 54 -6.455 6.471 1.366 383 H THR 55 H THR 55 -6.725 4.280 1.611 384 HA THR 55 HA THR 55 -4.756 2.857 3.356 385 HB THR 55 HB THR 55 -6.510 0.938 3.051 386 HG1 THR 55 HG1 THR 55 -8.641 2.083 2.869 387 1HG2 THR 55 2HG2 THR 55 -6.073 2.834 4.983 388 2HG2 THR 55 1HG2 THR 55 -7.790 3.049 4.643 389 3HG2 THR 55 3HG2 THR 55 -7.180 1.471 5.139 390 H TRP 56 H TRP 56 -3.335 1.559 2.418 391 HA TRP 56 HA TRP 56 -3.746 0.634 -0.388 392 1HB TRP 56 2HB TRP 56 -1.149 1.517 0.843 393 2HB TRP 56 1HB TRP 56 -1.461 1.164 -0.859 394 HD1 TRP 56 HD1 TRP 56 -2.651 3.651 1.848 395 HE1 TRP 56 HE1 TRP 56 -3.202 5.884 0.689 396 HE3 TRP 56 HE3 TRP 56 -1.809 2.327 -2.998 397 HZ2 TRP 56 HZ2 TRP 56 -3.279 6.966 -1.979 398 HZ3 TRP 56 HZ3 TRP 56 -2.127 3.965 -4.832 399 HH2 TRP 56 HH2 TRP 56 -2.859 6.275 -4.331 400 H VAL 57 H VAL 57 -4.396 -1.390 1.023 401 HA VAL 57 HA VAL 57 -2.686 -2.689 2.795 402 HB VAL 57 HB VAL 57 -4.014 -4.324 0.643 403 1HG1 VAL 57 2HG1 VAL 57 -2.780 -5.411 2.510 404 2HG1 VAL 57 1HG1 VAL 57 -3.844 -4.599 3.658 405 3HG1 VAL 57 3HG1 VAL 57 -4.502 -5.792 2.539 406 1HG2 VAL 57 2HG2 VAL 57 -5.325 -2.564 2.708 407 2HG2 VAL 57 1HG2 VAL 57 -5.752 -2.778 1.012 408 3HG2 VAL 57 3HG2 VAL 57 -6.105 -4.054 2.178 409 HA PRO 58 HA PRO 58 0.913 -3.468 0.324 410 1HB PRO 58 2HB PRO 58 2.232 -4.984 2.232 411 2HB PRO 58 1HB PRO 58 2.197 -3.211 2.219 412 1HG PRO 58 2HG PRO 58 0.723 -5.107 3.983 413 2HG PRO 58 1HG PRO 58 1.206 -3.424 4.293 414 1HD PRO 58 2HD PRO 58 -1.398 -4.290 3.589 415 2HD PRO 58 1HD PRO 58 -0.812 -2.615 3.543 416 H ILE 59 H ILE 59 1.597 -5.233 -0.982 417 HA ILE 59 HA ILE 59 0.524 -7.918 -0.368 418 HB ILE 59 HB ILE 59 -0.440 -8.066 -2.688 419 1HG1 ILE 59 2HG1 ILE 59 0.884 -5.950 -3.404 420 2HG1 ILE 59 1HG1 ILE 59 -0.755 -6.154 -4.018 421 1HG2 ILE 59 1HG2 ILE 59 -1.820 -7.694 -0.637 422 2HG2 ILE 59 3HG2 ILE 59 -1.689 -5.955 -0.899 423 3HG2 ILE 59 2HG2 ILE 59 -2.530 -6.964 -2.077 424 1HD1 ILE 59 2HD1 ILE 59 -1.543 -4.715 -2.073 425 2HD1 ILE 59 1HD1 ILE 59 0.151 -4.350 -1.761 426 3HD1 ILE 59 3HD1 ILE 59 -0.578 -3.884 -3.290 427 H GLY 60 H GLY 60 2.523 -5.873 -2.513 428 1HA GLY 60 2HA GLY 60 4.089 -8.373 -3.050 429 2HA GLY 60 1HA GLY 60 3.676 -7.280 -4.362 430 H LEU 61 H LEU 61 5.869 -6.950 -4.842 431 HA LEU 61 HA LEU 61 7.489 -5.545 -2.778 432 1HB LEU 61 2HB LEU 61 8.461 -6.469 -5.486 433 2HB LEU 61 1HB LEU 61 9.408 -6.146 -4.034 434 HG LEU 61 HG LEU 61 7.288 -8.277 -3.982 435 1HD1 LEU 61 2HD1 LEU 61 8.974 -8.504 -5.973 436 2HD1 LEU 61 1HD1 LEU 61 10.137 -8.912 -4.713 437 3HD1 LEU 61 3HD1 LEU 61 8.691 -9.897 -4.930 438 1HD2 LEU 61 1HD2 LEU 61 9.494 -7.314 -2.315 439 2HD2 LEU 61 3HD2 LEU 61 8.113 -8.319 -1.874 440 3HD2 LEU 61 2HD2 LEU 61 9.555 -9.058 -2.571 441 H ALA 62 H ALA 62 5.959 -5.093 -5.937 442 HA ALA 62 HA ALA 62 5.753 -2.324 -5.753 443 1HB ALA 62 2HB ALA 62 8.454 -3.218 -6.676 444 2HB ALA 62 1HB ALA 62 7.749 -1.769 -7.397 445 3HB ALA 62 3HB ALA 62 8.012 -1.849 -5.654 446 H ILE 63 H ILE 63 4.085 -4.100 -6.957 447 HA ILE 63 HA ILE 63 3.309 -2.992 -9.306 448 HB ILE 63 HB ILE 63 5.771 -4.442 -9.798 449 1HG1 ILE 63 2HG1 ILE 63 5.427 -2.182 -10.568 450 2HG1 ILE 63 1HG1 ILE 63 5.508 -3.209 -11.998 451 1HG2 ILE 63 3HG2 ILE 63 4.191 -6.265 -10.479 452 2HG2 ILE 63 2HG2 ILE 63 3.457 -5.144 -11.626 453 3HG2 ILE 63 1HG2 ILE 63 5.140 -5.628 -11.821 454 1HD1 ILE 63 1HD1 ILE 63 2.813 -3.268 -11.362 455 2HD1 ILE 63 3HD1 ILE 63 3.265 -1.607 -10.977 456 3HD1 ILE 63 2HD1 ILE 63 3.544 -2.245 -12.598 457 HA PRO 64 HA PRO 64 1.618 -7.476 -9.380 458 1HB PRO 64 2HB PRO 64 2.148 -9.005 -7.142 459 2HB PRO 64 1HB PRO 64 3.056 -9.091 -8.666 460 1HG PRO 64 2HG PRO 64 3.830 -7.832 -6.082 461 2HG PRO 64 1HG PRO 64 4.861 -8.485 -7.361 462 1HD PRO 64 2HD PRO 64 4.370 -5.766 -6.905 463 2HD PRO 64 1HD PRO 64 5.045 -6.441 -8.399 464 H GLU 65 H GLU 65 -0.431 -7.981 -8.676 465 HA GLU 65 HA GLU 65 -1.742 -6.109 -6.918 466 1HB GLU 65 2HB GLU 65 -3.758 -7.231 -7.516 467 2HB GLU 65 1HB GLU 65 -2.736 -7.352 -8.945 468 1HG GLU 65 2HG GLU 65 -1.953 -9.590 -7.635 469 2HG GLU 65 1HG GLU 65 -3.621 -9.478 -7.075 470 H ASN 66 H ASN 66 -3.582 -8.144 -5.770 471 HA ASN 66 HA ASN 66 -1.981 -8.742 -3.363 472 1HB ASN 66 2HB ASN 66 -4.042 -8.922 -2.217 473 2HB ASN 66 1HB ASN 66 -4.304 -7.616 -3.373 474 1HD2 ASN 66 2HD2 ASN 66 -6.971 -10.428 -3.503 475 2HD2 ASN 66 1HD2 ASN 66 -6.178 -9.788 -2.145 476 H ALA 67 H ALA 67 -1.699 -10.325 -5.884 477 HA ALA 67 HA ALA 67 -1.418 -12.908 -4.797 478 1HB ALA 67 1HB ALA 67 -4.108 -12.364 -6.040 479 2HB ALA 67 3HB ALA 67 -3.402 -13.979 -6.102 480 3HB ALA 67 2HB ALA 67 -3.737 -13.222 -4.544 481 H ALA 68 H ALA 68 -0.141 -11.103 -6.671 482 HA ALA 68 HA ALA 68 0.145 -13.001 -8.938 483 1HB ALA 68 1HB ALA 68 -1.032 -10.339 -9.099 484 2HB ALA 68 3HB ALA 68 0.392 -10.485 -10.131 485 3HB ALA 68 2HB ALA 68 -0.958 -11.604 -10.327 486 H ALA 69 H ALA 69 1.705 -11.927 -6.493 487 HA ALA 69 HA ALA 69 3.959 -10.483 -7.621 488 1HB ALA 69 1HB ALA 69 3.423 -11.867 -4.997 489 2HB ALA 69 3HB ALA 69 5.039 -11.276 -5.385 490 3HB ALA 69 2HB ALA 69 3.685 -10.150 -5.304 491 H HIS 70 HN HIS 70 6.114 -11.369 -7.915 492 HA HIS 70 HA HIS 70 7.601 -12.983 -8.745 493 1HB HIS 70 2HB HIS 70 5.904 -14.560 -6.819 494 2HB HIS 70 1HB HIS 70 7.134 -15.365 -7.794 495 HD1 HIS 70 HD1 HIS 70 8.236 -12.001 -7.140 496 HD2 HIS 70 HD2 HIS 70 8.303 -15.575 -4.996 497 HE1 HIS 70 HE1 HIS 70 9.973 -11.712 -5.319 No H/Q in entry = 497 Start of MODEL 8 1 1H GLU 1 2H GLU 1 12.434 -8.981 -2.718 2 2H GLU 1 1H GLU 1 13.152 -7.460 -2.961 3 3H GLU 1 3H GLU 1 13.842 -8.557 -1.867 4 HA GLU 1 HA GLU 1 12.733 -7.051 -0.502 5 1HB GLU 1 2HB GLU 1 11.482 -5.893 -2.255 6 2HB GLU 1 1HB GLU 1 10.445 -7.302 -2.477 7 1HG GLU 1 2HG GLU 1 9.225 -5.785 -1.077 8 2HG GLU 1 1HG GLU 1 9.801 -7.069 -0.025 9 H THR 2 H THR 2 11.279 -7.650 1.239 10 HA THR 2 HA THR 2 10.703 -10.557 1.248 11 HB THR 2 HB THR 2 10.204 -9.045 3.714 12 HG1 THR 2 HG1 THR 2 12.709 -9.098 3.843 13 1HG2 THR 2 3HG2 THR 2 10.637 -11.632 3.076 14 2HG2 THR 2 2HG2 THR 2 12.282 -11.155 3.495 15 3HG2 THR 2 1HG2 THR 2 10.984 -10.970 4.674 16 H VAL 3 H VAL 3 8.706 -10.681 0.139 17 HA VAL 3 HA VAL 3 6.523 -8.924 0.369 18 HB VAL 3 HB VAL 3 6.022 -11.890 0.380 19 1HG1 VAL 3 2HG1 VAL 3 4.581 -9.509 -0.248 20 2HG1 VAL 3 1HG1 VAL 3 4.794 -10.416 -1.746 21 3HG1 VAL 3 3HG1 VAL 3 4.020 -11.177 -0.356 22 1HG2 VAL 3 3HG2 VAL 3 7.789 -10.435 -1.457 23 2HG2 VAL 3 2HG2 VAL 3 7.569 -12.172 -1.256 24 3HG2 VAL 3 1HG2 VAL 3 6.467 -11.257 -2.284 25 H GLU 4 H GLU 4 7.755 -11.283 2.628 26 HA GLU 4 HA GLU 4 5.494 -11.479 4.359 27 1HB GLU 4 2HB GLU 4 7.760 -12.805 4.326 28 2HB GLU 4 1HB GLU 4 8.312 -11.524 5.406 29 1HG GLU 4 2HG GLU 4 7.419 -12.834 7.039 30 2HG GLU 4 1HG GLU 4 5.889 -12.130 6.514 31 H SER 5 H SER 5 8.261 -9.220 4.357 32 HA SER 5 HA SER 5 7.249 -7.788 6.685 33 1HB SER 5 2HB SER 5 9.516 -7.358 4.752 34 2HB SER 5 1HB SER 5 9.043 -6.078 5.865 35 HG SER 5 HG SER 5 10.474 -7.229 7.010 36 H CYS 6 H CYS 6 7.470 -7.065 3.181 37 HA CYS 6 HA CYS 6 6.246 -4.524 3.250 38 1HB CYS 6 2HB CYS 6 5.944 -6.702 1.157 39 2HB CYS 6 1HB CYS 6 5.436 -5.027 0.935 40 H LEU 7 H LEU 7 4.903 -7.650 3.873 41 HA LEU 7 HA LEU 7 2.142 -6.556 3.745 42 1HB LEU 7 2HB LEU 7 3.063 -9.386 4.292 43 2HB LEU 7 1HB LEU 7 1.408 -8.860 3.983 44 HG LEU 7 HG LEU 7 3.610 -8.334 1.988 45 1HD1 LEU 7 3HD1 LEU 7 2.658 -10.898 2.784 46 2HD1 LEU 7 2HD1 LEU 7 1.959 -10.546 1.204 47 3HD1 LEU 7 1HD1 LEU 7 3.709 -10.510 1.423 48 1HD2 LEU 7 3HD2 LEU 7 0.617 -8.256 2.071 49 2HD2 LEU 7 2HD2 LEU 7 1.746 -7.123 1.327 50 3HD2 LEU 7 1HD2 LEU 7 1.396 -8.663 0.542 51 H ALA 8 H ALA 8 4.641 -7.584 5.931 52 HA ALA 8 HA ALA 8 3.050 -7.863 8.319 53 1HB ALA 8 1HB ALA 8 5.960 -7.136 7.871 54 2HB ALA 8 3HB ALA 8 5.260 -7.317 9.479 55 3HB ALA 8 2HB ALA 8 5.310 -8.695 8.379 56 H LYS 9 H LYS 9 3.903 -5.263 6.351 57 HA LYS 9 HA LYS 9 4.173 -3.014 7.946 58 1HB LYS 9 2HB LYS 9 2.645 -3.502 5.364 59 2HB LYS 9 1HB LYS 9 3.043 -1.898 5.959 60 1HG LYS 9 2HG LYS 9 5.465 -3.177 6.142 61 2HG LYS 9 1HG LYS 9 4.775 -3.891 4.689 62 1HD LYS 9 2HD LYS 9 4.643 -1.837 3.579 63 2HD LYS 9 1HD LYS 9 4.668 -0.917 5.084 64 1HE LYS 9 2HE LYS 9 7.070 -2.144 5.270 65 2HE LYS 9 1HE LYS 9 6.926 -2.038 3.515 66 1HZ LYS 9 3HZ LYS 9 6.243 0.336 5.073 67 2HZ LYS 9 2HZ LYS 9 7.888 -0.069 4.952 68 3HZ LYS 9 1HZ LYS 9 6.974 0.215 3.548 69 HA PRO 10 HA PRO 10 0.292 -2.376 9.954 70 1HB PRO 10 2HB PRO 10 -0.549 0.157 9.259 71 2HB PRO 10 1HB PRO 10 0.761 -0.173 10.406 72 1HG PRO 10 2HG PRO 10 0.931 0.803 7.598 73 2HG PRO 10 1HG PRO 10 2.076 1.019 8.933 74 1HD PRO 10 2HD PRO 10 2.322 -0.813 6.805 75 2HD PRO 10 1HD PRO 10 3.302 -0.811 8.285 76 H HIS 11 H HIS 11 0.378 -2.616 6.660 77 HA HIS 11 HA HIS 11 -1.174 -3.421 5.143 78 1HB HIS 11 2HB HIS 11 -2.423 -3.906 7.722 79 2HB HIS 11 1HB HIS 11 -3.609 -3.584 6.452 80 HD1 HIS 11 HD1 HIS 11 -0.322 -5.553 6.545 81 HD2 HIS 11 HD2 HIS 11 -4.269 -5.979 5.269 82 HE1 HIS 11 HE1 HIS 11 -0.485 -7.840 5.471 83 H THR 12 H THR 12 -1.054 -1.290 4.125 84 HA THR 12 HA THR 12 -2.343 0.212 2.893 85 HB THR 12 HB THR 12 -4.252 -1.337 4.036 86 HG1 THR 12 HG1 THR 12 -5.451 -0.634 2.438 87 1HG2 THR 12 3HG2 THR 12 -4.783 1.521 4.847 88 2HG2 THR 12 2HG2 THR 12 -6.043 0.292 4.748 89 3HG2 THR 12 1HG2 THR 12 -4.731 0.112 5.902 90 H GLU 13 H GLU 13 -3.110 0.812 6.371 91 HA GLU 13 HA GLU 13 -3.387 3.545 6.201 92 1HB GLU 13 2HB GLU 13 -3.489 2.260 8.344 93 2HB GLU 13 1HB GLU 13 -1.725 2.190 8.354 94 1HG GLU 13 2HG GLU 13 -2.431 4.903 7.889 95 2HG GLU 13 1HG GLU 13 -3.439 4.335 9.223 96 H ASN 14 H ASN 14 -2.199 4.617 4.703 97 HA ASN 14 HA ASN 14 0.272 5.774 5.270 98 1HB ASN 14 2HB ASN 14 0.561 3.020 4.445 99 2HB ASN 14 1HB ASN 14 1.276 4.075 3.227 100 1HD2 ASN 14 2HD2 ASN 14 4.085 4.780 5.217 101 2HD2 ASN 14 1HD2 ASN 14 3.374 4.768 3.676 102 H SER 15 H SER 15 1.370 5.697 2.536 103 HA SER 15 HA SER 15 -0.649 6.086 0.581 104 1HB SER 15 2HB SER 15 -0.536 8.638 0.534 105 2HB SER 15 1HB SER 15 -1.460 7.934 1.857 106 HG SER 15 HG SER 15 0.587 8.076 3.065 107 H PHE 16 H PHE 16 0.330 7.940 -1.078 108 HA PHE 16 HA PHE 16 3.186 8.128 -1.200 109 1HB PHE 16 2HB PHE 16 2.803 5.632 -1.562 110 2HB PHE 16 1HB PHE 16 2.023 6.065 -3.084 111 HD1 PHE 16 HD2 PHE 16 3.325 7.406 -4.791 112 HD2 PHE 16 HD1 PHE 16 5.170 5.588 -1.369 113 HE1 PHE 16 HE2 PHE 16 5.540 7.605 -5.882 114 HE2 PHE 16 HE1 PHE 16 7.389 5.784 -2.458 115 HZ PHE 16 HZ PHE 16 7.575 6.792 -4.718 116 H THR 17 H THR 17 3.835 9.332 -3.120 117 HA THR 17 HA THR 17 1.494 10.453 -4.594 118 HB THR 17 HB THR 17 2.456 12.355 -3.764 119 HG1 THR 17 HG1 THR 17 4.109 13.092 -5.304 120 1HG2 THR 17 1HG2 THR 17 5.055 10.807 -3.777 121 2HG2 THR 17 3HG2 THR 17 4.961 12.517 -3.357 122 3HG2 THR 17 2HG2 THR 17 4.113 11.320 -2.378 123 H ASN 18 H ASN 18 1.714 10.811 -6.896 124 HA ASN 18 HA ASN 18 2.505 10.292 -9.065 125 1HB ASN 18 2HB ASN 18 4.833 10.405 -7.665 126 2HB ASN 18 1HB ASN 18 4.814 8.694 -8.096 127 1HD2 ASN 18 2HD2 ASN 18 6.434 10.393 -10.953 128 2HD2 ASN 18 1HD2 ASN 18 6.811 10.055 -9.331 129 H VAL 19 H VAL 19 1.044 8.550 -7.003 130 HA VAL 19 HA VAL 19 1.542 5.818 -7.324 131 HB VAL 19 HB VAL 19 -1.113 7.266 -7.145 132 1HG1 VAL 19 1HG1 VAL 19 -1.337 4.945 -7.992 133 2HG1 VAL 19 3HG1 VAL 19 -0.443 4.362 -6.587 134 3HG1 VAL 19 2HG1 VAL 19 -2.020 5.126 -6.376 135 1HG2 VAL 19 2HG2 VAL 19 0.907 7.257 -5.327 136 2HG2 VAL 19 1HG2 VAL 19 -0.798 7.337 -4.884 137 3HG2 VAL 19 3HG2 VAL 19 0.050 5.791 -4.852 138 H TRP 20 H TRP 20 0.515 4.230 -8.728 139 HA TRP 20 HA TRP 20 -0.313 5.357 -11.364 140 1HB TRP 20 2HB TRP 20 1.215 4.098 -12.485 141 2HB TRP 20 1HB TRP 20 2.033 3.966 -10.935 142 HD1 TRP 20 HD1 TRP 20 -0.171 2.017 -13.356 143 HE1 TRP 20 HE1 TRP 20 -0.154 -0.474 -12.699 144 HE3 TRP 20 HE3 TRP 20 2.374 2.291 -8.935 145 HZ2 TRP 20 HZ2 TRP 20 0.840 -2.133 -10.596 146 HZ3 TRP 20 HZ3 TRP 20 2.845 0.238 -7.631 147 HH2 TRP 20 HH2 TRP 20 2.077 -1.972 -8.458 148 H LYS 21 H LYS 21 -1.334 3.275 -12.629 149 HA LYS 21 HA LYS 21 -3.050 1.744 -10.755 150 1HB LYS 21 2HB LYS 21 -4.336 3.785 -11.342 151 2HB LYS 21 1HB LYS 21 -4.144 3.400 -13.054 152 1HG LYS 21 2HG LYS 21 -5.120 1.040 -12.163 153 2HG LYS 21 1HG LYS 21 -5.896 2.137 -11.018 154 1HD LYS 21 2HD LYS 21 -7.409 2.013 -12.842 155 2HD LYS 21 1HD LYS 21 -6.554 3.539 -13.075 156 1HE LYS 21 2HE LYS 21 -5.048 1.434 -14.319 157 2HE LYS 21 1HE LYS 21 -6.718 1.350 -14.877 158 1HZ LYS 21 2HZ LYS 21 -5.639 4.022 -14.733 159 2HZ LYS 21 1HZ LYS 21 -4.866 3.020 -15.867 160 3HZ LYS 21 3HZ LYS 21 -6.539 3.276 -15.966 161 H ASP 22 H ASP 22 -2.783 -0.340 -11.396 162 HA ASP 22 HA ASP 22 -2.048 -0.852 -14.217 163 1HB ASP 22 2HB ASP 22 -1.185 -1.925 -11.776 164 2HB ASP 22 1HB ASP 22 -2.159 -3.195 -12.513 165 H ASP 23 H ASP 23 -3.450 -1.727 -15.616 166 HA ASP 23 HA ASP 23 -6.170 -2.406 -14.746 167 1HB ASP 23 2HB ASP 23 -5.176 -1.400 -17.087 168 2HB ASP 23 1HB ASP 23 -5.292 -3.113 -17.494 169 H LYS 24 H LYS 24 -3.149 -3.927 -15.171 170 HA LYS 24 HA LYS 24 -4.147 -6.627 -15.676 171 1HB LYS 24 2HB LYS 24 -1.484 -5.365 -15.055 172 2HB LYS 24 1HB LYS 24 -1.676 -7.114 -14.902 173 1HG LYS 24 2HG LYS 24 -2.404 -7.279 -17.228 174 2HG LYS 24 1HG LYS 24 -2.344 -5.524 -17.397 175 1HD LYS 24 2HD LYS 24 -0.288 -6.198 -18.309 176 2HD LYS 24 1HD LYS 24 0.143 -5.777 -16.652 177 1HE LYS 24 2HE LYS 24 0.008 -8.131 -15.989 178 2HE LYS 24 1HE LYS 24 -0.506 -8.578 -17.614 179 1HZ LYS 24 2HZ LYS 24 1.612 -7.614 -18.431 180 2HZ LYS 24 1HZ LYS 24 2.107 -7.424 -16.818 181 3HZ LYS 24 3HZ LYS 24 1.818 -8.976 -17.436 182 H THR 25 H THR 25 -2.581 -4.940 -12.947 183 HA THR 25 HA THR 25 -3.134 -7.042 -11.052 184 HB THR 25 HB THR 25 -2.468 -5.387 -9.351 185 HG1 THR 25 HG1 THR 25 -3.616 -3.657 -10.506 186 1HG2 THR 25 1HG2 THR 25 -0.892 -6.330 -11.409 187 2HG2 THR 25 3HG2 THR 25 -0.570 -4.595 -11.445 188 3HG2 THR 25 2HG2 THR 25 -0.293 -5.513 -9.965 189 H LEU 26 H LEU 26 -4.874 -4.290 -12.277 190 HA LEU 26 HA LEU 26 -7.170 -3.798 -12.066 191 1HB LEU 26 2HB LEU 26 -6.917 -6.533 -11.261 192 2HB LEU 26 1HB LEU 26 -8.021 -5.732 -10.145 193 HG LEU 26 HG LEU 26 -9.082 -6.724 -12.237 194 1HD1 LEU 26 1HD1 LEU 26 -9.397 -4.001 -11.128 195 2HD1 LEU 26 3HD1 LEU 26 -10.138 -4.242 -12.711 196 3HD1 LEU 26 2HD1 LEU 26 -10.602 -5.270 -11.355 197 1HD2 LEU 26 3HD2 LEU 26 -7.076 -5.710 -13.614 198 2HD2 LEU 26 2HD2 LEU 26 -8.684 -5.788 -14.333 199 3HD2 LEU 26 1HD2 LEU 26 -8.093 -4.271 -13.655 200 H ASP 27 H ASP 27 -5.662 -2.149 -10.598 201 HA ASP 27 HA ASP 27 -7.290 -1.311 -8.467 202 1HB ASP 27 2HB ASP 27 -5.778 -3.663 -7.803 203 2HB ASP 27 1HB ASP 27 -5.231 -2.317 -6.803 204 H ARG 28 H ARG 28 -6.110 0.177 -6.877 205 HA ARG 28 HA ARG 28 -4.123 1.737 -8.386 206 1HB ARG 28 2HB ARG 28 -5.617 2.078 -5.792 207 2HB ARG 28 1HB ARG 28 -4.192 3.068 -6.112 208 1HG ARG 28 2HG ARG 28 -6.250 2.844 -8.268 209 2HG ARG 28 1HG ARG 28 -6.617 3.861 -6.874 210 1HD ARG 28 2HD ARG 28 -4.379 4.988 -7.225 211 2HD ARG 28 1HD ARG 28 -4.249 4.102 -8.745 212 HE ARG 28 HE ARG 28 -5.519 5.918 -9.564 213 1HH1 ARG 28 1HH2 ARG 28 -6.164 5.805 -6.268 214 2HH1 ARG 28 2HH2 ARG 28 -7.801 6.359 -6.393 215 1HH2 ARG 28 2HH1 ARG 28 -7.874 6.197 -9.855 216 2HH2 ARG 28 1HH1 ARG 28 -8.769 6.579 -8.423 217 H TYR 29 H TYR 29 -1.905 1.986 -7.701 218 HA TYR 29 HA TYR 29 -1.055 0.394 -5.363 219 1HB TYR 29 2HB TYR 29 -0.112 -0.166 -8.185 220 2HB TYR 29 1HB TYR 29 0.679 -0.790 -6.740 221 HD1 TYR 29 HD2 TYR 29 -0.445 -2.433 -5.287 222 HD2 TYR 29 HD1 TYR 29 -2.277 -1.005 -8.901 223 HE1 TYR 29 HE2 TYR 29 -2.079 -4.296 -5.194 224 HE2 TYR 29 HE1 TYR 29 -3.912 -2.871 -8.809 225 HH TYR 29 HH TYR 29 -3.739 -5.336 -6.239 226 H ALA 30 H ALA 30 0.714 1.243 -4.377 227 HA ALA 30 HA ALA 30 2.096 3.497 -5.778 228 1HB ALA 30 2HB ALA 30 1.478 3.050 -2.845 229 2HB ALA 30 1HB ALA 30 2.621 4.270 -3.405 230 3HB ALA 30 3HB ALA 30 0.924 4.372 -3.871 231 H ASN 31 H ASN 31 4.252 3.201 -6.118 232 HA ASN 31 HA ASN 31 5.490 0.714 -5.182 233 1HB ASN 31 2HB ASN 31 7.391 1.410 -6.573 234 2HB ASN 31 1HB ASN 31 5.883 1.570 -7.475 235 1HD2 ASN 31 2HD2 ASN 31 7.865 4.747 -7.843 236 2HD2 ASN 31 1HD2 ASN 31 8.190 3.115 -8.179 237 H TYR 32 H TYR 32 6.012 0.797 -3.010 238 HA TYR 32 HA TYR 32 7.252 3.235 -1.900 239 1HB TYR 32 2HB TYR 32 5.587 1.851 -0.597 240 2HB TYR 32 1HB TYR 32 6.794 0.567 -0.536 241 HD1 TYR 32 HD1 TYR 32 6.348 4.208 0.232 242 HD2 TYR 32 HD2 TYR 32 8.410 0.557 1.165 243 HE1 TYR 32 HE1 TYR 32 7.439 5.317 2.163 244 HE2 TYR 32 HE2 TYR 32 9.500 1.666 3.096 245 HH TYR 32 HH TYR 32 9.400 3.503 4.458 246 H GLU 33 H GLU 33 8.857 2.392 -3.854 247 HA GLU 33 HA GLU 33 10.893 1.288 -4.416 248 1HB GLU 33 2HB GLU 33 11.337 3.540 -3.284 249 2HB GLU 33 1HB GLU 33 11.721 2.618 -1.830 250 1HG GLU 33 2HG GLU 33 13.792 3.012 -3.002 251 2HG GLU 33 1HG GLU 33 13.384 1.308 -3.207 252 H GLY 34 H GLY 34 10.103 -0.936 -3.900 253 1HA GLY 34 2HA GLY 34 11.486 -2.838 -2.945 254 2HA GLY 34 1HA GLY 34 11.390 -1.977 -1.408 255 H CYS 35 H CYS 35 8.698 -1.196 -1.414 256 HA CYS 35 HA CYS 35 7.342 -3.868 -1.337 257 1HB CYS 35 2HB CYS 35 6.890 -1.384 0.342 258 2HB CYS 35 1HB CYS 35 5.838 -2.797 0.380 259 H LEU 36 H LEU 36 4.835 -3.575 -1.552 260 HA LEU 36 HA LEU 36 4.190 -1.378 -3.453 261 1HB LEU 36 2HB LEU 36 4.679 -3.288 -4.881 262 2HB LEU 36 1HB LEU 36 3.604 -4.313 -3.931 263 HG LEU 36 HG LEU 36 1.745 -2.663 -4.478 264 1HD1 LEU 36 1HD1 LEU 36 4.013 -1.559 -6.091 265 2HD1 LEU 36 3HD1 LEU 36 2.380 -1.450 -6.739 266 3HD1 LEU 36 2HD1 LEU 36 2.761 -0.705 -5.191 267 1HD2 LEU 36 3HD2 LEU 36 2.770 -4.821 -5.940 268 2HD2 LEU 36 2HD2 LEU 36 1.165 -4.109 -6.112 269 3HD2 LEU 36 1HD2 LEU 36 2.486 -3.562 -7.144 270 H TRP 37 H TRP 37 2.573 -0.329 -2.455 271 HA TRP 37 HA TRP 37 0.589 -1.837 -0.844 272 1HB TRP 37 2HB TRP 37 0.720 1.159 -1.305 273 2HB TRP 37 1HB TRP 37 -0.130 0.301 -0.031 274 HD1 TRP 37 HD1 TRP 37 3.538 0.682 -1.224 275 HE1 TRP 37 HE1 TRP 37 5.033 0.745 0.877 276 HE3 TRP 37 HE3 TRP 37 0.002 -0.007 2.391 277 HZ2 TRP 37 HZ2 TRP 37 4.754 0.531 3.725 278 HZ3 TRP 37 HZ3 TRP 37 0.630 -0.077 4.775 279 HH2 TRP 37 HH2 TRP 37 3.006 0.196 5.449 280 H ASN 38 H ASN 38 -1.791 -0.889 -1.246 281 HA ASN 38 HA ASN 38 -2.239 -0.216 -4.075 282 1HB ASN 38 2HB ASN 38 -3.457 -2.117 -4.684 283 2HB ASN 38 1HB ASN 38 -2.133 -2.798 -3.744 284 1HD2 ASN 38 2HD2 ASN 38 -5.947 -2.899 -2.242 285 2HD2 ASN 38 1HD2 ASN 38 -5.584 -1.903 -3.568 286 H ALA 39 H ALA 39 -3.847 1.240 -4.192 287 HA ALA 39 HA ALA 39 -5.523 1.742 -1.826 288 1HB ALA 39 2HB ALA 39 -4.617 3.257 -4.108 289 2HB ALA 39 1HB ALA 39 -6.376 3.341 -4.005 290 3HB ALA 39 3HB ALA 39 -5.387 3.841 -2.633 291 H THR 40 H THR 40 -7.636 1.141 -1.648 292 HA THR 40 HA THR 40 -9.045 0.121 -4.067 293 HB THR 40 HB THR 40 -8.168 -1.875 -3.030 294 HG1 THR 40 HG1 THR 40 -10.080 -2.889 -2.562 295 1HG2 THR 40 3HG2 THR 40 -8.128 -0.399 -0.717 296 2HG2 THR 40 2HG2 THR 40 -9.474 -1.497 -0.414 297 3HG2 THR 40 1HG2 THR 40 -7.879 -2.143 -0.794 298 H GLY 41 H GLY 41 -9.299 1.061 -0.633 299 1HA GLY 41 2HA GLY 41 -12.194 1.569 -0.982 300 2HA GLY 41 1HA GLY 41 -11.313 1.642 0.542 301 H VAL 42 H VAL 42 -12.045 3.726 1.096 302 HA VAL 42 HA VAL 42 -12.236 6.002 -0.497 303 HB VAL 42 HB VAL 42 -12.862 5.906 1.912 304 1HG1 VAL 42 2HG1 VAL 42 -10.623 4.756 2.505 305 2HG1 VAL 42 1HG1 VAL 42 -9.943 6.383 2.519 306 3HG1 VAL 42 3HG1 VAL 42 -11.242 5.960 3.635 307 1HG2 VAL 42 3HG2 VAL 42 -12.326 8.069 0.563 308 2HG2 VAL 42 2HG2 VAL 42 -12.446 8.191 2.318 309 3HG2 VAL 42 1HG2 VAL 42 -10.862 8.133 1.544 310 H VAL 43 H VAL 43 -10.798 7.429 -1.413 311 HA VAL 43 HA VAL 43 -7.981 7.463 -0.611 312 HB VAL 43 HB VAL 43 -8.868 6.318 -3.267 313 1HG1 VAL 43 3HG1 VAL 43 -6.308 7.673 -2.468 314 2HG1 VAL 43 2HG1 VAL 43 -6.263 6.334 -3.616 315 3HG1 VAL 43 1HG1 VAL 43 -7.198 7.782 -3.988 316 1HG2 VAL 43 1HG2 VAL 43 -7.076 5.375 -1.011 317 2HG2 VAL 43 3HG2 VAL 43 -8.596 4.654 -1.542 318 3HG2 VAL 43 2HG2 VAL 43 -7.170 4.567 -2.576 319 H VAL 44 H VAL 44 -7.107 9.459 -1.086 320 HA VAL 44 HA VAL 44 -8.781 11.265 -2.783 321 HB VAL 44 HB VAL 44 -8.531 11.877 -0.349 322 1HG1 VAL 44 2HG1 VAL 44 -6.031 11.027 -0.469 323 2HG1 VAL 44 1HG1 VAL 44 -5.712 12.690 -0.963 324 3HG1 VAL 44 3HG1 VAL 44 -6.466 12.363 0.598 325 1HG2 VAL 44 3HG2 VAL 44 -8.826 13.513 -2.331 326 2HG2 VAL 44 2HG2 VAL 44 -8.264 14.186 -0.801 327 3HG2 VAL 44 1HG2 VAL 44 -7.116 13.884 -2.106 328 H CYS 45 H CYS 45 -7.838 11.232 -4.801 329 HA CYS 45 HA CYS 45 -4.876 11.593 -4.889 330 1HB CYS 45 2HB CYS 45 -6.211 9.478 -5.947 331 2HB CYS 45 1HB CYS 45 -6.228 10.580 -7.325 332 H THR 46 H THR 46 -4.166 13.429 -5.829 333 HA THR 46 HA THR 46 -6.125 15.068 -7.374 334 HB THR 46 HB THR 46 -5.282 16.112 -5.280 335 HG1 THR 46 HG1 THR 46 -3.979 17.490 -7.321 336 1HG2 THR 46 3HG2 THR 46 -3.064 14.892 -5.388 337 2HG2 THR 46 2HG2 THR 46 -2.573 16.051 -6.622 338 3HG2 THR 46 1HG2 THR 46 -2.950 16.606 -4.991 339 H GLY 47 H GLY 47 -5.092 16.404 -9.122 340 1HA GLY 47 2HA GLY 47 -3.739 16.613 -11.034 341 2HA GLY 47 1HA GLY 47 -2.499 15.688 -10.181 342 H ASP 48 H ASP 48 -5.604 15.282 -11.905 343 HA ASP 48 HA ASP 48 -6.399 13.436 -13.144 344 1HB ASP 48 2HB ASP 48 -3.467 13.512 -13.553 345 2HB ASP 48 1HB ASP 48 -4.241 11.966 -13.898 346 H GLU 49 H GLU 49 -5.573 13.306 -10.194 347 HA GLU 49 HA GLU 49 -5.605 11.712 -8.515 348 1HB GLU 49 2HB GLU 49 -6.892 10.323 -10.822 349 2HB GLU 49 1HB GLU 49 -6.378 9.326 -9.459 350 1HG GLU 49 2HG GLU 49 -7.583 11.521 -8.244 351 2HG GLU 49 1HG GLU 49 -8.614 11.197 -9.640 352 H THR 50 H THR 50 -3.150 12.247 -9.489 353 HA THR 50 HA THR 50 -1.832 9.661 -10.096 354 HB THR 50 HB THR 50 0.212 11.342 -10.170 355 HG1 THR 50 HG1 THR 50 -0.668 13.392 -10.933 356 1HG2 THR 50 1HG2 THR 50 -1.939 10.693 -12.096 357 2HG2 THR 50 3HG2 THR 50 -0.881 12.029 -12.549 358 3HG2 THR 50 2HG2 THR 50 -0.198 10.435 -12.221 359 H GLN 51 H GLN 51 -1.705 12.328 -7.702 360 HA GLN 51 HA GLN 51 -0.110 10.502 -5.941 361 1HB GLN 51 2HB GLN 51 -0.589 13.425 -5.384 362 2HB GLN 51 1HB GLN 51 0.736 12.397 -4.837 363 1HG GLN 51 2HG GLN 51 1.944 13.196 -6.567 364 2HG GLN 51 1HG GLN 51 0.867 12.297 -7.635 365 1HE2 GLN 51 2HE2 GLN 51 0.126 16.310 -7.075 366 2HE2 GLN 51 1HE2 GLN 51 0.916 15.441 -5.849 367 H CYS 52 H CYS 52 -1.051 9.855 -3.963 368 HA CYS 52 HA CYS 52 -3.464 11.263 -3.056 369 1HB CYS 52 2HB CYS 52 -4.308 8.558 -3.079 370 2HB CYS 52 1HB CYS 52 -4.989 9.898 -3.990 371 H TYR 53 H TYR 53 -4.473 10.056 -1.139 372 HA TYR 53 HA TYR 53 -2.458 8.536 0.420 373 1HB TYR 53 2HB TYR 53 -2.023 10.608 1.406 374 2HB TYR 53 1HB TYR 53 -3.666 11.187 1.140 375 HD1 TYR 53 HD1 TYR 53 -1.515 9.072 3.299 376 HD2 TYR 53 HD2 TYR 53 -5.448 10.694 2.700 377 HE1 TYR 53 HE1 TYR 53 -2.149 8.388 5.602 378 HE2 TYR 53 HE2 TYR 53 -6.075 10.020 5.001 379 HH TYR 53 HH TYR 53 -3.903 8.094 7.009 380 H GLY 54 H GLY 54 -3.481 7.402 2.291 381 1HA GLY 54 2HA GLY 54 -5.925 7.134 3.252 382 2HA GLY 54 1HA GLY 54 -6.277 6.653 1.592 383 H THR 55 H THR 55 -6.779 4.482 2.101 384 HA THR 55 HA THR 55 -4.723 2.879 3.515 385 HB THR 55 HB THR 55 -6.468 1.012 3.094 386 HG1 THR 55 HG1 THR 55 -7.572 2.174 1.446 387 1HG2 THR 55 3HG2 THR 55 -6.125 2.744 5.130 388 2HG2 THR 55 2HG2 THR 55 -7.770 3.173 4.663 389 3HG2 THR 55 1HG2 THR 55 -7.388 1.514 5.122 390 H TRP 56 H TRP 56 -3.250 1.785 2.432 391 HA TRP 56 HA TRP 56 -3.684 1.080 -0.435 392 1HB TRP 56 2HB TRP 56 -1.110 1.771 0.979 393 2HB TRP 56 1HB TRP 56 -1.304 1.462 -0.749 394 HD1 TRP 56 HD1 TRP 56 -2.561 3.940 1.930 395 HE1 TRP 56 HE1 TRP 56 -2.980 6.206 0.781 396 HE3 TRP 56 HE3 TRP 56 -1.546 2.655 -2.893 397 HZ2 TRP 56 HZ2 TRP 56 -2.895 7.328 -1.863 398 HZ3 TRP 56 HZ3 TRP 56 -1.721 4.329 -4.711 399 HH2 TRP 56 HH2 TRP 56 -2.391 6.661 -4.200 400 H VAL 57 H VAL 57 -4.511 -1.017 0.683 401 HA VAL 57 HA VAL 57 -3.064 -2.631 2.398 402 HB VAL 57 HB VAL 57 -4.675 -3.432 -0.036 403 1HG1 VAL 57 2HG1 VAL 57 -3.002 -5.199 0.532 404 2HG1 VAL 57 1HG1 VAL 57 -3.639 -5.231 2.176 405 3HG1 VAL 57 3HG1 VAL 57 -4.663 -5.716 0.824 406 1HG2 VAL 57 1HG2 VAL 57 -5.163 -3.154 2.923 407 2HG2 VAL 57 3HG2 VAL 57 -6.104 -2.500 1.583 408 3HG2 VAL 57 2HG2 VAL 57 -6.170 -4.223 1.950 409 HA PRO 58 HA PRO 58 0.714 -3.467 0.202 410 1HB PRO 58 2HB PRO 58 1.774 -5.126 2.141 411 2HB PRO 58 1HB PRO 58 1.767 -3.357 2.259 412 1HG PRO 58 2HG PRO 58 0.106 -5.336 3.723 413 2HG PRO 58 1HG PRO 58 0.522 -3.670 4.172 414 1HD PRO 58 2HD PRO 58 -1.953 -4.571 3.067 415 2HD PRO 58 1HD PRO 58 -1.454 -2.888 3.323 416 H ILE 59 H ILE 59 1.250 -5.095 -1.281 417 HA ILE 59 HA ILE 59 0.301 -7.858 -0.782 418 HB ILE 59 HB ILE 59 -0.607 -7.890 -3.167 419 1HG1 ILE 59 2HG1 ILE 59 0.534 -5.551 -3.536 420 2HG1 ILE 59 1HG1 ILE 59 -1.016 -5.892 -4.300 421 1HG2 ILE 59 1HG2 ILE 59 -1.914 -6.367 -0.906 422 2HG2 ILE 59 3HG2 ILE 59 -2.768 -6.696 -2.413 423 3HG2 ILE 59 2HG2 ILE 59 -2.199 -8.033 -1.412 424 1HD1 ILE 59 2HD1 ILE 59 -1.084 -4.720 -1.559 425 2HD1 ILE 59 1HD1 ILE 59 -0.601 -3.658 -2.881 426 3HD1 ILE 59 3HD1 ILE 59 -2.167 -4.463 -2.922 427 H GLY 60 H GLY 60 2.218 -5.618 -2.780 428 1HA GLY 60 2HA GLY 60 3.796 -8.027 -3.609 429 2HA GLY 60 1HA GLY 60 3.442 -6.719 -4.729 430 H LEU 61 H LEU 61 5.916 -7.014 -4.772 431 HA LEU 61 HA LEU 61 7.290 -5.606 -2.576 432 1HB LEU 61 2HB LEU 61 8.517 -6.556 -5.172 433 2HB LEU 61 1HB LEU 61 9.318 -6.285 -3.624 434 HG LEU 61 HG LEU 61 7.180 -8.390 -4.071 435 1HD1 LEU 61 1HD1 LEU 61 10.205 -8.610 -4.047 436 2HD1 LEU 61 3HD1 LEU 61 9.110 -9.989 -3.960 437 3HD1 LEU 61 2HD1 LEU 61 9.133 -8.970 -5.399 438 1HD2 LEU 61 3HD2 LEU 61 8.282 -7.239 -1.739 439 2HD2 LEU 61 2HD2 LEU 61 7.280 -8.685 -1.839 440 3HD2 LEU 61 1HD2 LEU 61 9.038 -8.825 -1.897 441 H ALA 62 H ALA 62 6.003 -4.987 -5.768 442 HA ALA 62 HA ALA 62 6.060 -2.208 -5.546 443 1HB ALA 62 1HB ALA 62 8.690 -3.320 -6.091 444 2HB ALA 62 3HB ALA 62 8.191 -2.181 -7.343 445 3HB ALA 62 2HB ALA 62 8.237 -1.673 -5.653 446 H ILE 63 H ILE 63 4.396 -4.145 -6.828 447 HA ILE 63 HA ILE 63 3.561 -2.867 -9.089 448 HB ILE 63 HB ILE 63 6.077 -4.138 -9.664 449 1HG1 ILE 63 2HG1 ILE 63 5.513 -1.875 -10.308 450 2HG1 ILE 63 1HG1 ILE 63 5.730 -2.817 -11.783 451 1HG2 ILE 63 1HG2 ILE 63 3.695 -5.088 -11.274 452 2HG2 ILE 63 3HG2 ILE 63 5.344 -5.101 -11.898 453 3HG2 ILE 63 2HG2 ILE 63 4.927 -6.077 -10.490 454 1HD1 ILE 63 1HD1 ILE 63 2.991 -3.032 -10.919 455 2HD1 ILE 63 3HD1 ILE 63 3.440 -1.327 -11.004 456 3HD1 ILE 63 2HD1 ILE 63 3.618 -2.360 -12.423 457 HA PRO 64 HA PRO 64 2.000 -7.369 -9.499 458 1HB PRO 64 2HB PRO 64 2.362 -8.980 -7.285 459 2HB PRO 64 1HB PRO 64 3.390 -8.996 -8.731 460 1HG PRO 64 2HG PRO 64 3.948 -7.847 -6.045 461 2HG PRO 64 1HG PRO 64 5.081 -8.417 -7.277 462 1HD PRO 64 2HD PRO 64 4.482 -5.730 -6.720 463 2HD PRO 64 1HD PRO 64 5.314 -6.312 -8.173 464 H GLU 65 H GLU 65 -0.072 -8.037 -8.921 465 HA GLU 65 HA GLU 65 -1.581 -6.184 -7.283 466 1HB GLU 65 2HB GLU 65 -3.519 -7.516 -7.990 467 2HB GLU 65 1HB GLU 65 -2.461 -7.219 -9.366 468 1HG GLU 65 2HG GLU 65 -1.370 -9.517 -8.458 469 2HG GLU 65 1HG GLU 65 -3.043 -9.762 -7.961 470 H ASN 66 H ASN 66 -3.521 -7.805 -6.138 471 HA ASN 66 HA ASN 66 -2.240 -8.570 -3.659 472 1HB ASN 66 2HB ASN 66 -4.422 -8.892 -2.831 473 2HB ASN 66 1HB ASN 66 -4.636 -7.639 -4.054 474 1HD2 ASN 66 2HD2 ASN 66 -6.911 -9.593 -5.882 475 2HD2 ASN 66 1HD2 ASN 66 -6.313 -8.052 -5.492 476 H ALA 67 H ALA 67 -3.707 -10.361 -6.357 477 HA ALA 67 HA ALA 67 -3.350 -12.964 -5.182 478 1HB ALA 67 3HB ALA 67 -4.876 -12.433 -7.117 479 2HB ALA 67 2HB ALA 67 -3.442 -12.271 -8.131 480 3HB ALA 67 1HB ALA 67 -3.831 -13.825 -7.395 481 H ALA 68 H ALA 68 -1.269 -10.824 -7.036 482 HA ALA 68 HA ALA 68 1.013 -10.988 -7.557 483 1HB ALA 68 1HB ALA 68 0.630 -12.324 -5.028 484 2HB ALA 68 3HB ALA 68 1.878 -13.153 -5.956 485 3HB ALA 68 2HB ALA 68 2.039 -11.433 -5.603 486 H ALA 69 H ALA 69 -0.522 -12.227 -9.398 487 HA ALA 69 HA ALA 69 0.532 -14.982 -9.747 488 1HB ALA 69 2HB ALA 69 -1.913 -13.683 -10.423 489 2HB ALA 69 1HB ALA 69 -1.126 -14.148 -11.930 490 3HB ALA 69 3HB ALA 69 -1.469 -15.366 -10.701 491 H HIS 70 HN HIS 70 1.392 -11.853 -10.553 492 HA HIS 70 HA HIS 70 2.930 -12.846 -12.915 493 1HB HIS 70 2HB HIS 70 0.938 -10.935 -13.025 494 2HB HIS 70 1HB HIS 70 2.398 -9.957 -12.875 495 HD1 HIS 70 HD1 HIS 70 0.416 -11.713 -15.335 496 HD2 HIS 70 HD2 HIS 70 4.469 -10.842 -14.896 497 HE1 HIS 70 HE1 HIS 70 1.468 -12.028 -17.618 No H/Q in entry = 497 Start of MODEL 9 1 1H GLU 1 1H GLU 1 12.916 -7.835 -2.151 2 2H GLU 1 3H GLU 1 11.718 -6.873 -2.866 3 3H GLU 1 2H GLU 1 13.157 -6.162 -2.312 4 HA GLU 1 HA GLU 1 12.585 -6.366 -0.094 5 1HB GLU 1 2HB GLU 1 11.195 -4.688 -1.258 6 2HB GLU 1 1HB GLU 1 9.993 -5.932 -1.610 7 1HG GLU 1 2HG GLU 1 9.232 -4.752 0.344 8 2HG GLU 1 1HG GLU 1 9.813 -6.326 0.885 9 H THR 2 H THR 2 11.334 -7.435 1.594 10 HA THR 2 HA THR 2 10.748 -10.233 0.925 11 HB THR 2 HB THR 2 10.132 -9.179 3.631 12 HG1 THR 2 HG1 THR 2 12.410 -9.139 4.077 13 1HG2 THR 2 3HG2 THR 2 11.313 -11.600 2.350 14 2HG2 THR 2 2HG2 THR 2 11.803 -11.230 4.003 15 3HG2 THR 2 1HG2 THR 2 10.099 -11.482 3.624 16 H VAL 3 H VAL 3 8.754 -10.485 -0.088 17 HA VAL 3 HA VAL 3 6.511 -8.836 0.172 18 HB VAL 3 HB VAL 3 6.268 -11.844 -0.010 19 1HG1 VAL 3 1HG1 VAL 3 4.484 -9.633 -0.276 20 2HG1 VAL 3 3HG1 VAL 3 4.701 -10.335 -1.880 21 3HG1 VAL 3 2HG1 VAL 3 4.138 -11.342 -0.545 22 1HG2 VAL 3 3HG2 VAL 3 7.813 -10.081 -1.695 23 2HG2 VAL 3 2HG2 VAL 3 7.578 -11.823 -1.846 24 3HG2 VAL 3 1HG2 VAL 3 6.439 -10.711 -2.604 25 H GLU 4 H GLU 4 7.764 -11.206 2.423 26 HA GLU 4 HA GLU 4 5.398 -11.460 4.051 27 1HB GLU 4 2HB GLU 4 7.499 -12.948 4.060 28 2HB GLU 4 1HB GLU 4 8.231 -11.697 5.069 29 1HG GLU 4 2HG GLU 4 6.112 -11.916 6.537 30 2HG GLU 4 1HG GLU 4 5.834 -13.429 5.677 31 H SER 5 H SER 5 8.214 -9.279 4.206 32 HA SER 5 HA SER 5 7.201 -7.963 6.604 33 1HB SER 5 2HB SER 5 9.678 -8.158 5.734 34 2HB SER 5 1HB SER 5 9.254 -6.739 4.782 35 HG SER 5 HG SER 5 8.629 -5.728 6.741 36 H CYS 6 H CYS 6 7.544 -6.993 3.170 37 HA CYS 6 HA CYS 6 6.352 -4.473 3.337 38 1HB CYS 6 2HB CYS 6 7.133 -5.069 1.194 39 2HB CYS 6 1HB CYS 6 6.240 -6.589 1.190 40 H LEU 7 H LEU 7 4.881 -7.657 3.554 41 HA LEU 7 HA LEU 7 2.162 -6.528 3.577 42 1HB LEU 7 2HB LEU 7 3.120 -9.363 4.067 43 2HB LEU 7 1HB LEU 7 1.438 -8.862 3.861 44 HG LEU 7 HG LEU 7 3.564 -8.319 1.781 45 1HD1 LEU 7 1HD1 LEU 7 2.410 -10.836 2.501 46 2HD1 LEU 7 3HD1 LEU 7 1.732 -10.344 0.949 47 3HD1 LEU 7 2HD1 LEU 7 3.479 -10.473 1.147 48 1HD2 LEU 7 2HD2 LEU 7 0.562 -8.134 1.944 49 2HD2 LEU 7 1HD2 LEU 7 1.718 -6.909 1.418 50 3HD2 LEU 7 3HD2 LEU 7 1.371 -8.296 0.385 51 H ALA 8 H ALA 8 4.578 -7.700 5.806 52 HA ALA 8 HA ALA 8 2.858 -7.778 8.137 53 1HB ALA 8 2HB ALA 8 5.612 -8.324 7.550 54 2HB ALA 8 1HB ALA 8 5.548 -7.184 8.894 55 3HB ALA 8 3HB ALA 8 4.708 -8.730 9.010 56 H LYS 9 H LYS 9 4.027 -5.345 6.188 57 HA LYS 9 HA LYS 9 4.778 -3.161 7.694 58 1HB LYS 9 2HB LYS 9 3.178 -3.639 5.211 59 2HB LYS 9 1HB LYS 9 3.229 -2.001 5.826 60 1HG LYS 9 2HG LYS 9 5.857 -2.694 6.032 61 2HG LYS 9 1HG LYS 9 5.370 -3.636 4.625 62 1HD LYS 9 2HD LYS 9 5.326 -1.802 3.330 63 2HD LYS 9 1HD LYS 9 4.275 -0.966 4.475 64 1HE LYS 9 2HE LYS 9 7.295 -1.168 4.630 65 2HE LYS 9 1HE LYS 9 6.362 0.281 4.251 66 1HZ LYS 9 1HZ LYS 9 5.531 -0.972 6.688 67 2HZ LYS 9 3HZ LYS 9 7.159 -0.501 6.731 68 3HZ LYS 9 2HZ LYS 9 5.952 0.646 6.392 69 HA PRO 10 HA PRO 10 1.240 -1.844 9.999 70 1HB PRO 10 2HB PRO 10 0.814 0.783 9.272 71 2HB PRO 10 1HB PRO 10 2.128 0.255 10.337 72 1HG PRO 10 2HG PRO 10 2.252 1.102 7.482 73 2HG PRO 10 1HG PRO 10 3.505 1.177 8.732 74 1HD PRO 10 2HD PRO 10 3.342 -0.745 6.682 75 2HD PRO 10 1HD PRO 10 4.360 -0.871 8.130 76 H HIS 11 H HIS 11 1.093 -2.230 6.739 77 HA HIS 11 HA HIS 11 -0.620 -2.830 5.334 78 1HB HIS 11 2HB HIS 11 -1.937 -2.809 7.954 79 2HB HIS 11 1HB HIS 11 -3.024 -2.489 6.597 80 HD1 HIS 11 HD1 HIS 11 0.037 -4.778 6.633 81 HD2 HIS 11 HD2 HIS 11 -4.103 -5.011 6.157 82 HE1 HIS 11 HE1 HIS 11 -0.479 -7.166 5.975 83 H THR 12 H THR 12 -2.511 -2.012 4.324 84 HA THR 12 HA THR 12 -2.553 0.052 2.867 85 HB THR 12 HB THR 12 -4.490 -1.486 3.731 86 HG1 THR 12 HG1 THR 12 -5.767 -0.517 2.293 87 1HG2 THR 12 2HG2 THR 12 -5.174 1.216 4.892 88 2HG2 THR 12 1HG2 THR 12 -6.324 -0.107 4.699 89 3HG2 THR 12 3HG2 THR 12 -4.948 -0.288 5.788 90 H GLU 13 H GLU 13 -3.533 0.803 6.259 91 HA GLU 13 HA GLU 13 -3.846 3.535 5.968 92 1HB GLU 13 2HB GLU 13 -3.826 2.035 8.142 93 2HB GLU 13 1HB GLU 13 -2.157 2.595 8.273 94 1HG GLU 13 2HG GLU 13 -3.484 4.928 7.677 95 2HG GLU 13 1HG GLU 13 -4.670 4.081 8.674 96 H ASN 14 H ASN 14 -2.584 4.537 4.477 97 HA ASN 14 HA ASN 14 -0.145 5.734 5.142 98 1HB ASN 14 2HB ASN 14 0.239 2.987 4.527 99 2HB ASN 14 1HB ASN 14 0.823 3.897 3.133 100 1HD2 ASN 14 2HD2 ASN 14 2.940 3.953 6.583 101 2HD2 ASN 14 1HD2 ASN 14 1.533 3.018 6.417 102 H SER 15 H SER 15 1.046 5.520 2.424 103 HA SER 15 HA SER 15 -0.932 5.926 0.425 104 1HB SER 15 2HB SER 15 -0.774 8.430 0.260 105 2HB SER 15 1HB SER 15 -1.612 7.865 1.700 106 HG SER 15 HG SER 15 1.003 8.893 1.433 107 H PHE 16 H PHE 16 0.146 7.691 -1.254 108 HA PHE 16 HA PHE 16 3.008 7.693 -1.403 109 1HB PHE 16 2HB PHE 16 2.468 5.234 -1.775 110 2HB PHE 16 1HB PHE 16 1.648 5.722 -3.258 111 HD1 PHE 16 HD2 PHE 16 2.948 6.979 -5.023 112 HD2 PHE 16 HD1 PHE 16 4.842 5.051 -1.687 113 HE1 PHE 16 HE2 PHE 16 5.116 7.056 -6.214 114 HE2 PHE 16 HE1 PHE 16 7.017 5.124 -2.881 115 HZ PHE 16 HZ PHE 16 7.156 6.127 -5.146 116 H THR 17 H THR 17 3.672 8.950 -3.291 117 HA THR 17 HA THR 17 1.340 10.150 -4.698 118 HB THR 17 HB THR 17 2.357 12.017 -3.892 119 HG1 THR 17 HG1 THR 17 4.244 11.547 -5.943 120 1HG2 THR 17 2HG2 THR 17 4.034 10.672 -2.620 121 2HG2 THR 17 1HG2 THR 17 5.046 10.616 -4.063 122 3HG2 THR 17 3HG2 THR 17 4.720 12.160 -3.276 123 H ASN 18 H ASN 18 1.578 10.616 -7.021 124 HA ASN 18 HA ASN 18 2.258 10.054 -9.209 125 1HB ASN 18 2HB ASN 18 4.631 9.899 -7.767 126 2HB ASN 18 1HB ASN 18 4.494 8.299 -8.500 127 1HD2 ASN 18 2HD2 ASN 18 6.048 10.874 -10.880 128 2HD2 ASN 18 1HD2 ASN 18 6.351 10.572 -9.238 129 H VAL 19 H VAL 19 1.092 8.177 -6.862 130 HA VAL 19 HA VAL 19 1.320 5.491 -7.375 131 HB VAL 19 HB VAL 19 -1.243 7.061 -6.973 132 1HG1 VAL 19 3HG1 VAL 19 -1.401 4.605 -7.780 133 2HG1 VAL 19 2HG1 VAL 19 -0.776 4.188 -6.187 134 3HG1 VAL 19 1HG1 VAL 19 -2.303 5.058 -6.340 135 1HG2 VAL 19 2HG2 VAL 19 1.028 6.518 -5.287 136 2HG2 VAL 19 1HG2 VAL 19 -0.427 7.443 -4.914 137 3HG2 VAL 19 3HG2 VAL 19 -0.393 5.702 -4.635 138 H TRP 20 H TRP 20 0.216 3.994 -8.777 139 HA TRP 20 HA TRP 20 -0.924 5.222 -11.249 140 1HB TRP 20 2HB TRP 20 0.491 4.067 -12.631 141 2HB TRP 20 1HB TRP 20 1.536 4.032 -11.216 142 HD1 TRP 20 HD1 TRP 20 -0.580 1.832 -13.436 143 HE1 TRP 20 HE1 TRP 20 -0.320 -0.630 -12.716 144 HE3 TRP 20 HE3 TRP 20 2.013 2.466 -9.089 145 HZ2 TRP 20 HZ2 TRP 20 0.865 -2.131 -10.583 146 HZ3 TRP 20 HZ3 TRP 20 2.699 0.511 -7.738 147 HH2 TRP 20 HH2 TRP 20 2.126 -1.786 -8.476 148 H LYS 21 H LYS 21 -1.803 2.984 -12.518 149 HA LYS 21 HA LYS 21 -3.275 1.338 -10.545 150 1HB LYS 21 2HB LYS 21 -4.775 3.253 -11.045 151 2HB LYS 21 1HB LYS 21 -4.659 2.878 -12.767 152 1HG LYS 21 2HG LYS 21 -5.338 0.436 -11.762 153 2HG LYS 21 1HG LYS 21 -6.183 1.500 -10.638 154 1HD LYS 21 2HD LYS 21 -7.731 1.142 -12.402 155 2HD LYS 21 1HD LYS 21 -7.046 2.736 -12.726 156 1HE LYS 21 2HE LYS 21 -5.432 0.625 -13.912 157 2HE LYS 21 1HE LYS 21 -7.097 0.568 -14.492 158 1HZ LYS 21 2HZ LYS 21 -6.886 3.022 -14.873 159 2HZ LYS 21 1HZ LYS 21 -5.217 2.855 -14.595 160 3HZ LYS 21 3HZ LYS 21 -5.944 2.045 -15.896 161 H ASP 22 H ASP 22 -2.551 -0.636 -11.209 162 HA ASP 22 HA ASP 22 -1.962 -1.142 -14.019 163 1HB ASP 22 2HB ASP 22 -1.058 -2.183 -11.620 164 2HB ASP 22 1HB ASP 22 -2.087 -3.470 -12.246 165 H ASP 23 H ASP 23 -3.369 -1.939 -15.466 166 HA ASP 23 HA ASP 23 -6.067 -2.717 -14.653 167 1HB ASP 23 2HB ASP 23 -4.953 -1.735 -16.998 168 2HB ASP 23 1HB ASP 23 -5.232 -3.436 -17.381 169 H LYS 24 H LYS 24 -3.007 -4.182 -15.065 170 HA LYS 24 HA LYS 24 -3.965 -6.900 -15.562 171 1HB LYS 24 2HB LYS 24 -1.431 -5.499 -15.458 172 2HB LYS 24 1HB LYS 24 -1.361 -6.949 -14.457 173 1HG LYS 24 2HG LYS 24 -2.380 -6.931 -17.311 174 2HG LYS 24 1HG LYS 24 -0.722 -7.337 -16.866 175 1HD LYS 24 2HD LYS 24 -1.310 -9.401 -16.152 176 2HD LYS 24 1HD LYS 24 -2.704 -8.782 -15.267 177 1HE LYS 24 2HE LYS 24 -4.138 -9.102 -17.028 178 2HE LYS 24 1HE LYS 24 -2.899 -8.757 -18.234 179 1HZ LYS 24 2HZ LYS 24 -2.528 -11.156 -16.628 180 2HZ LYS 24 1HZ LYS 24 -3.797 -11.194 -17.758 181 3HZ LYS 24 3HZ LYS 24 -2.211 -10.890 -18.275 182 H THR 25 H THR 25 -2.406 -5.192 -12.840 183 HA THR 25 HA THR 25 -2.868 -7.272 -10.922 184 HB THR 25 HB THR 25 -2.286 -5.623 -9.247 185 HG1 THR 25 HG1 THR 25 -2.140 -3.378 -10.023 186 1HG2 THR 25 2HG2 THR 25 -0.716 -6.136 -11.488 187 2HG2 THR 25 1HG2 THR 25 -0.630 -4.386 -11.303 188 3HG2 THR 25 3HG2 THR 25 -0.159 -5.435 -9.969 189 H LEU 26 H LEU 26 -4.807 -4.725 -12.259 190 HA LEU 26 HA LEU 26 -7.138 -4.399 -12.105 191 1HB LEU 26 2HB LEU 26 -6.689 -7.087 -11.165 192 2HB LEU 26 1HB LEU 26 -7.947 -6.325 -10.194 193 HG LEU 26 HG LEU 26 -8.776 -7.498 -12.272 194 1HD1 LEU 26 1HD1 LEU 26 -9.418 -4.897 -11.232 195 2HD1 LEU 26 3HD1 LEU 26 -9.690 -4.899 -12.974 196 3HD1 LEU 26 2HD1 LEU 26 -10.501 -6.087 -11.954 197 1HD2 LEU 26 2HD2 LEU 26 -6.684 -6.473 -13.547 198 2HD2 LEU 26 1HD2 LEU 26 -8.202 -6.765 -14.396 199 3HD2 LEU 26 3HD2 LEU 26 -7.802 -5.141 -13.840 200 H ASP 27 H ASP 27 -5.751 -2.640 -10.612 201 HA ASP 27 HA ASP 27 -7.497 -1.843 -8.558 202 1HB ASP 27 2HB ASP 27 -5.827 -4.081 -7.794 203 2HB ASP 27 1HB ASP 27 -5.494 -2.680 -6.776 204 H ARG 28 H ARG 28 -6.301 -0.380 -6.847 205 HA ARG 28 HA ARG 28 -4.405 1.284 -8.379 206 1HB ARG 28 2HB ARG 28 -6.381 1.933 -6.622 207 2HB ARG 28 1HB ARG 28 -4.990 1.909 -5.537 208 1HG ARG 28 2HG ARG 28 -4.845 4.090 -6.281 209 2HG ARG 28 1HG ARG 28 -3.876 3.295 -7.524 210 1HD ARG 28 2HD ARG 28 -5.457 4.738 -8.645 211 2HD ARG 28 1HD ARG 28 -5.977 3.073 -8.903 212 HE ARG 28 HE ARG 28 -7.207 4.355 -6.573 213 1HH1 ARG 28 1HH2 ARG 28 -7.431 5.282 -9.724 214 2HH1 ARG 28 2HH2 ARG 28 -9.088 4.832 -9.956 215 1HH2 ARG 28 2HH1 ARG 28 -9.315 3.096 -6.963 216 2HH2 ARG 28 1HH1 ARG 28 -10.153 3.596 -8.395 217 H TYR 29 H TYR 29 -2.220 1.678 -7.619 218 HA TYR 29 HA TYR 29 -1.299 0.082 -5.316 219 1HB TYR 29 2HB TYR 29 -0.322 -0.419 -8.140 220 2HB TYR 29 1HB TYR 29 0.463 -1.045 -6.691 221 HD1 TYR 29 HD1 TYR 29 -2.552 -1.215 -8.809 222 HD2 TYR 29 HD2 TYR 29 -0.552 -2.801 -5.355 223 HE1 TYR 29 HE1 TYR 29 -4.151 -3.110 -8.754 224 HE2 TYR 29 HE2 TYR 29 -2.150 -4.697 -5.300 225 HH TYR 29 HH TYR 29 -4.616 -5.045 -6.158 226 H ALA 30 H ALA 30 0.710 0.763 -4.514 227 HA ALA 30 HA ALA 30 1.902 3.157 -5.857 228 1HB ALA 30 3HB ALA 30 0.947 2.798 -3.046 229 2HB ALA 30 2HB ALA 30 2.402 3.759 -3.303 230 3HB ALA 30 1HB ALA 30 0.888 4.228 -4.075 231 H ASN 31 H ASN 31 3.954 2.628 -6.410 232 HA ASN 31 HA ASN 31 5.342 0.365 -5.258 233 1HB ASN 31 2HB ASN 31 6.816 2.507 -6.743 234 2HB ASN 31 1HB ASN 31 6.971 0.755 -6.861 235 1HD2 ASN 31 2HD2 ASN 31 4.486 0.434 -9.367 236 2HD2 ASN 31 1HD2 ASN 31 5.520 -0.380 -8.296 237 H TYR 32 H TYR 32 5.941 0.521 -3.134 238 HA TYR 32 HA TYR 32 6.970 3.076 -2.077 239 1HB TYR 32 2HB TYR 32 5.486 1.183 -0.896 240 2HB TYR 32 1HB TYR 32 7.082 0.562 -0.477 241 HD1 TYR 32 HD2 TYR 32 8.797 2.544 0.257 242 HD2 TYR 32 HD1 TYR 32 4.519 2.641 0.638 243 HE1 TYR 32 HE2 TYR 32 8.994 4.252 2.044 244 HE2 TYR 32 HE1 TYR 32 4.717 4.349 2.424 245 HH TYR 32 HH TYR 32 7.537 5.005 4.037 246 H GLU 33 H GLU 33 8.604 2.278 -4.072 247 HA GLU 33 HA GLU 33 10.755 1.480 -4.628 248 1HB GLU 33 2HB GLU 33 11.136 2.864 -1.960 249 2HB GLU 33 1HB GLU 33 12.472 2.372 -2.999 250 1HG GLU 33 2HG GLU 33 12.073 4.630 -3.594 251 2HG GLU 33 1HG GLU 33 11.272 3.699 -4.859 252 H GLY 34 H GLY 34 9.264 -0.651 -3.542 253 1HA GLY 34 2HA GLY 34 10.886 -2.717 -3.123 254 2HA GLY 34 1HA GLY 34 11.066 -1.926 -1.558 255 H CYS 35 H CYS 35 8.236 -1.004 -1.537 256 HA CYS 35 HA CYS 35 6.889 -3.658 -1.220 257 1HB CYS 35 2HB CYS 35 7.445 -2.964 1.005 258 2HB CYS 35 1HB CYS 35 6.936 -1.309 0.684 259 H LEU 36 H LEU 36 5.372 -3.638 -2.808 260 HA LEU 36 HA LEU 36 4.098 -1.166 -3.688 261 1HB LEU 36 2HB LEU 36 4.517 -3.066 -5.238 262 2HB LEU 36 1HB LEU 36 3.365 -4.036 -4.327 263 HG LEU 36 HG LEU 36 1.684 -2.153 -4.744 264 1HD1 LEU 36 2HD1 LEU 36 3.770 -0.709 -5.559 265 2HD1 LEU 36 1HD1 LEU 36 3.357 -1.435 -7.113 266 3HD1 LEU 36 3HD1 LEU 36 2.166 -0.466 -6.245 267 1HD2 LEU 36 3HD2 LEU 36 2.202 -4.428 -6.100 268 2HD2 LEU 36 2HD2 LEU 36 0.907 -3.322 -6.560 269 3HD2 LEU 36 1HD2 LEU 36 2.461 -3.258 -7.392 270 H TRP 37 H TRP 37 2.136 -0.390 -3.073 271 HA TRP 37 HA TRP 37 0.628 -1.966 -1.040 272 1HB TRP 37 2HB TRP 37 0.499 1.022 -1.601 273 2HB TRP 37 1HB TRP 37 -0.329 0.157 -0.315 274 HD1 TRP 37 HD1 TRP 37 3.374 0.157 -1.461 275 HE1 TRP 37 HE1 TRP 37 4.835 0.454 0.647 276 HE3 TRP 37 HE3 TRP 37 -0.265 0.567 2.100 277 HZ2 TRP 37 HZ2 TRP 37 4.503 0.822 3.460 278 HZ3 TRP 37 HZ3 TRP 37 0.328 0.878 4.476 279 HH2 TRP 37 HH2 TRP 37 2.710 1.013 5.165 280 H ASN 38 H ASN 38 -1.868 -1.340 -1.197 281 HA ASN 38 HA ASN 38 -2.657 -1.110 -4.061 282 1HB ASN 38 2HB ASN 38 -2.664 -3.474 -3.775 283 2HB ASN 38 1HB ASN 38 -3.362 -3.356 -2.161 284 1HD2 ASN 38 2HD2 ASN 38 -6.696 -2.784 -3.394 285 2HD2 ASN 38 1HD2 ASN 38 -5.669 -2.455 -2.085 286 H ALA 39 H ALA 39 -4.133 0.473 -4.195 287 HA ALA 39 HA ALA 39 -5.720 1.187 -1.794 288 1HB ALA 39 2HB ALA 39 -4.482 2.701 -3.831 289 2HB ALA 39 1HB ALA 39 -6.218 2.865 -4.096 290 3HB ALA 39 3HB ALA 39 -5.519 3.305 -2.538 291 H THR 40 H THR 40 -7.951 1.067 -1.772 292 HA THR 40 HA THR 40 -9.335 0.126 -4.229 293 HB THR 40 HB THR 40 -8.904 -1.939 -3.111 294 HG1 THR 40 HG1 THR 40 -11.348 -1.550 -1.923 295 1HG2 THR 40 1HG2 THR 40 -8.348 -0.615 -0.916 296 2HG2 THR 40 3HG2 THR 40 -10.043 -0.911 -0.526 297 3HG2 THR 40 2HG2 THR 40 -8.950 -2.268 -0.796 298 H GLY 41 H GLY 41 -9.635 1.279 -0.873 299 1HA GLY 41 2HA GLY 41 -12.421 2.096 -1.295 300 2HA GLY 41 1HA GLY 41 -11.471 2.367 0.167 301 H VAL 42 H VAL 42 -12.862 4.501 -0.457 302 HA VAL 42 HA VAL 42 -12.042 6.297 -2.435 303 HB VAL 42 HB VAL 42 -12.940 6.754 0.416 304 1HG1 VAL 42 2HG1 VAL 42 -11.690 8.646 -1.427 305 2HG1 VAL 42 1HG1 VAL 42 -13.319 9.140 -0.971 306 3HG1 VAL 42 3HG1 VAL 42 -12.106 8.851 0.274 307 1HG2 VAL 42 1HG2 VAL 42 -14.388 5.898 -1.630 308 2HG2 VAL 42 3HG2 VAL 42 -15.041 7.100 -0.518 309 3HG2 VAL 42 2HG2 VAL 42 -14.379 7.604 -2.074 310 H VAL 43 H VAL 43 -10.108 7.223 -2.880 311 HA VAL 43 HA VAL 43 -8.154 7.530 -0.638 312 HB VAL 43 HB VAL 43 -7.163 7.058 -3.421 313 1HG1 VAL 43 3HG1 VAL 43 -6.262 6.348 -0.615 314 2HG1 VAL 43 2HG1 VAL 43 -5.413 5.824 -2.069 315 3HG1 VAL 43 1HG1 VAL 43 -5.542 7.542 -1.695 316 1HG2 VAL 43 1HG2 VAL 43 -8.201 4.886 -1.570 317 2HG2 VAL 43 3HG2 VAL 43 -8.846 5.293 -3.160 318 3HG2 VAL 43 2HG2 VAL 43 -7.232 4.596 -3.014 319 H VAL 44 H VAL 44 -7.822 9.670 -0.345 320 HA VAL 44 HA VAL 44 -8.654 11.725 -2.100 321 HB VAL 44 HB VAL 44 -6.555 11.682 0.077 322 1HG1 VAL 44 1HG1 VAL 44 -7.577 13.960 -1.627 323 2HG1 VAL 44 3HG1 VAL 44 -6.866 14.225 -0.035 324 3HG1 VAL 44 2HG1 VAL 44 -5.902 13.498 -1.322 325 1HG2 VAL 44 3HG2 VAL 44 -9.080 11.357 0.524 326 2HG2 VAL 44 2HG2 VAL 44 -8.252 12.611 1.447 327 3HG2 VAL 44 1HG2 VAL 44 -9.248 13.050 0.059 328 H CYS 45 H CYS 45 -7.905 11.380 -4.250 329 HA CYS 45 HA CYS 45 -4.950 11.352 -4.629 330 1HB CYS 45 2HB CYS 45 -7.107 10.968 -6.724 331 2HB CYS 45 1HB CYS 45 -5.383 10.641 -6.904 332 H THR 46 H THR 46 -3.925 13.153 -5.385 333 HA THR 46 HA THR 46 -5.618 15.328 -6.539 334 HB THR 46 HB THR 46 -5.033 16.053 -4.324 335 HG1 THR 46 HG1 THR 46 -4.701 17.720 -5.675 336 1HG2 THR 46 2HG2 THR 46 -2.456 14.731 -5.006 337 2HG2 THR 46 1HG2 THR 46 -2.371 16.149 -3.961 338 3HG2 THR 46 3HG2 THR 46 -3.338 14.756 -3.480 339 H GLY 47 H GLY 47 -4.303 16.853 -7.893 340 1HA GLY 47 2HA GLY 47 -2.815 17.239 -9.659 341 2HA GLY 47 1HA GLY 47 -1.674 16.209 -8.796 342 H ASP 48 H ASP 48 -4.542 16.033 -10.924 343 HA ASP 48 HA ASP 48 -5.064 14.455 -12.594 344 1HB ASP 48 2HB ASP 48 -2.089 14.281 -12.346 345 2HB ASP 48 1HB ASP 48 -2.918 13.002 -13.231 346 H GLU 49 H GLU 49 -4.661 13.811 -9.531 347 HA GLU 49 HA GLU 49 -5.164 11.983 -8.183 348 1HB GLU 49 2HB GLU 49 -6.130 11.125 -10.868 349 2HB GLU 49 1HB GLU 49 -5.896 9.857 -9.665 350 1HG GLU 49 2HG GLU 49 -7.723 10.499 -8.509 351 2HG GLU 49 1HG GLU 49 -7.222 12.190 -8.529 352 H THR 50 H THR 50 -2.578 12.207 -10.156 353 HA THR 50 HA THR 50 -1.500 9.545 -10.146 354 HB THR 50 HB THR 50 0.734 11.079 -10.089 355 HG1 THR 50 HG1 THR 50 -0.966 12.800 -11.438 356 1HG2 THR 50 1HG2 THR 50 -0.474 9.610 -11.938 357 2HG2 THR 50 3HG2 THR 50 -0.902 11.191 -12.591 358 3HG2 THR 50 2HG2 THR 50 0.794 10.754 -12.379 359 H GLN 51 H GLN 51 -1.510 12.199 -7.812 360 HA GLN 51 HA GLN 51 0.069 10.505 -5.944 361 1HB GLN 51 2HB GLN 51 -0.884 13.288 -5.306 362 2HB GLN 51 1HB GLN 51 0.561 12.456 -4.734 363 1HG GLN 51 2HG GLN 51 1.660 13.654 -6.314 364 2HG GLN 51 1HG GLN 51 0.956 12.516 -7.463 365 1HE2 GLN 51 2HE2 GLN 51 -1.083 16.065 -6.984 366 2HE2 GLN 51 1HE2 GLN 51 -0.420 15.306 -5.618 367 H CYS 52 H CYS 52 -0.920 9.957 -3.862 368 HA CYS 52 HA CYS 52 -3.646 10.833 -3.404 369 1HB CYS 52 2HB CYS 52 -3.651 8.978 -5.246 370 2HB CYS 52 1HB CYS 52 -3.394 7.883 -3.890 371 H TYR 53 H TYR 53 -4.625 9.764 -1.475 372 HA TYR 53 HA TYR 53 -2.708 8.379 0.293 373 1HB TYR 53 2HB TYR 53 -2.218 10.436 1.214 374 2HB TYR 53 1HB TYR 53 -3.730 11.153 0.670 375 HD1 TYR 53 HD1 TYR 53 -2.349 8.706 3.155 376 HD2 TYR 53 HD2 TYR 53 -5.520 11.432 2.169 377 HE1 TYR 53 HE1 TYR 53 -3.326 8.383 5.411 378 HE2 TYR 53 HE2 TYR 53 -6.496 11.111 4.425 379 HH TYR 53 HH TYR 53 -5.373 8.637 6.576 380 H GLY 54 H GLY 54 -3.796 7.264 2.053 381 1HA GLY 54 2HA GLY 54 -6.298 7.196 2.992 382 2HA GLY 54 1HA GLY 54 -6.600 6.607 1.355 383 H THR 55 H THR 55 -6.739 4.419 1.334 384 HA THR 55 HA THR 55 -4.927 2.909 3.181 385 HB THR 55 HB THR 55 -6.684 1.034 2.787 386 HG1 THR 55 HG1 THR 55 -8.175 1.616 1.450 387 1HG2 THR 55 2HG2 THR 55 -6.614 3.288 4.588 388 2HG2 THR 55 1HG2 THR 55 -8.279 2.778 4.311 389 3HG2 THR 55 3HG2 THR 55 -7.092 1.621 4.909 390 H TRP 56 H TRP 56 -3.486 1.641 2.271 391 HA TRP 56 HA TRP 56 -3.793 0.793 -0.563 392 1HB TRP 56 2HB TRP 56 -1.254 1.670 0.785 393 2HB TRP 56 1HB TRP 56 -1.482 1.301 -0.927 394 HD1 TRP 56 HD1 TRP 56 -2.633 3.872 1.701 395 HE1 TRP 56 HE1 TRP 56 -3.223 6.051 0.462 396 HE3 TRP 56 HE3 TRP 56 -2.000 2.304 -3.091 397 HZ2 TRP 56 HZ2 TRP 56 -3.399 7.000 -2.258 398 HZ3 TRP 56 HZ3 TRP 56 -2.387 3.834 -4.990 399 HH2 TRP 56 HH2 TRP 56 -3.083 6.186 -4.588 400 H VAL 57 H VAL 57 -4.523 -1.226 0.863 401 HA VAL 57 HA VAL 57 -2.864 -2.585 2.616 402 HB VAL 57 HB VAL 57 -4.906 -3.640 2.316 403 1HG1 VAL 57 1HG1 VAL 57 -4.431 -3.068 -0.585 404 2HG1 VAL 57 3HG1 VAL 57 -5.596 -4.311 -0.128 405 3HG1 VAL 57 2HG1 VAL 57 -5.813 -2.649 0.427 406 1HG2 VAL 57 2HG2 VAL 57 -2.909 -5.266 2.078 407 2HG2 VAL 57 1HG2 VAL 57 -4.496 -5.856 1.587 408 3HG2 VAL 57 3HG2 VAL 57 -3.335 -5.331 0.368 409 HA PRO 58 HA PRO 58 0.774 -3.323 0.189 410 1HB PRO 58 2HB PRO 58 2.042 -4.922 2.069 411 2HB PRO 58 1HB PRO 58 2.030 -3.149 2.102 412 1HG PRO 58 2HG PRO 58 0.478 -5.071 3.774 413 2HG PRO 58 1HG PRO 58 1.013 -3.419 4.161 414 1HD PRO 58 2HD PRO 58 -1.606 -4.143 3.411 415 2HD PRO 58 1HD PRO 58 -0.943 -2.496 3.366 416 H ILE 59 H ILE 59 1.179 -4.860 -1.351 417 HA ILE 59 HA ILE 59 0.184 -7.630 -0.866 418 HB ILE 59 HB ILE 59 -0.638 -7.687 -3.210 419 1HG1 ILE 59 2HG1 ILE 59 0.892 -5.783 -3.935 420 2HG1 ILE 59 1HG1 ILE 59 -0.760 -5.707 -4.542 421 1HG2 ILE 59 2HG2 ILE 59 -2.156 -7.151 -1.303 422 2HG2 ILE 59 1HG2 ILE 59 -1.840 -5.437 -1.564 423 3HG2 ILE 59 3HG2 ILE 59 -2.665 -6.380 -2.804 424 1HD1 ILE 59 2HD1 ILE 59 -0.868 -4.355 -2.094 425 2HD1 ILE 59 1HD1 ILE 59 0.655 -3.844 -2.814 426 3HD1 ILE 59 3HD1 ILE 59 -0.848 -3.620 -3.696 427 H GLY 60 H GLY 60 2.503 -5.516 -2.522 428 1HA GLY 60 2HA GLY 60 4.108 -7.973 -3.021 429 2HA GLY 60 1HA GLY 60 3.741 -6.938 -4.392 430 H LEU 61 H LEU 61 5.937 -6.468 -4.753 431 HA LEU 61 HA LEU 61 7.306 -4.940 -2.596 432 1HB LEU 61 2HB LEU 61 8.618 -5.898 -5.133 433 2HB LEU 61 1HB LEU 61 9.357 -5.561 -3.568 434 HG LEU 61 HG LEU 61 7.442 -7.841 -4.156 435 1HD1 LEU 61 3HD1 LEU 61 10.266 -7.570 -4.534 436 2HD1 LEU 61 2HD1 LEU 61 9.992 -8.682 -3.193 437 3HD1 LEU 61 1HD1 LEU 61 9.265 -9.003 -4.767 438 1HD2 LEU 61 2HD2 LEU 61 7.828 -6.561 -1.759 439 2HD2 LEU 61 1HD2 LEU 61 7.362 -8.255 -1.920 440 3HD2 LEU 61 3HD2 LEU 61 9.057 -7.825 -1.686 441 H ALA 62 H ALA 62 6.084 -4.679 -5.911 442 HA ALA 62 HA ALA 62 5.865 -1.876 -5.809 443 1HB ALA 62 3HB ALA 62 8.552 -2.868 -6.692 444 2HB ALA 62 2HB ALA 62 7.885 -1.409 -7.427 445 3HB ALA 62 1HB ALA 62 8.148 -1.477 -5.685 446 H ILE 63 H ILE 63 4.216 -3.770 -6.982 447 HA ILE 63 HA ILE 63 3.419 -2.771 -9.368 448 HB ILE 63 HB ILE 63 5.975 -4.086 -9.809 449 1HG1 ILE 63 2HG1 ILE 63 5.478 -1.826 -10.552 450 2HG1 ILE 63 1HG1 ILE 63 5.720 -2.834 -11.977 451 1HG2 ILE 63 2HG2 ILE 63 4.551 -5.990 -10.525 452 2HG2 ILE 63 1HG2 ILE 63 3.687 -4.912 -11.621 453 3HG2 ILE 63 3HG2 ILE 63 5.398 -5.253 -11.885 454 1HD1 ILE 63 1HD1 ILE 63 2.956 -2.982 -11.229 455 2HD1 ILE 63 3HD1 ILE 63 3.420 -1.280 -11.300 456 3HD1 ILE 63 2HD1 ILE 63 3.652 -2.319 -12.707 457 HA PRO 64 HA PRO 64 2.091 -7.378 -9.430 458 1HB PRO 64 2HB PRO 64 2.627 -8.811 -7.127 459 2HB PRO 64 1HB PRO 64 3.601 -8.866 -8.611 460 1HG PRO 64 2HG PRO 64 4.177 -7.491 -6.036 461 2HG PRO 64 1HG PRO 64 5.303 -8.094 -7.257 462 1HD PRO 64 2HD PRO 64 4.598 -5.413 -6.889 463 2HD PRO 64 1HD PRO 64 5.374 -6.069 -8.341 464 H GLU 65 H GLU 65 0.091 -8.152 -8.715 465 HA GLU 65 HA GLU 65 -1.410 -6.284 -7.049 466 1HB GLU 65 2HB GLU 65 -3.347 -7.409 -7.849 467 2HB GLU 65 1HB GLU 65 -2.215 -7.453 -9.198 468 1HG GLU 65 2HG GLU 65 -1.566 -9.731 -7.746 469 2HG GLU 65 1HG GLU 65 -3.325 -9.667 -7.650 470 H ASN 66 H ASN 66 -3.302 -8.157 -6.001 471 HA ASN 66 HA ASN 66 -1.793 -9.077 -3.621 472 1HB ASN 66 2HB ASN 66 -3.919 -7.658 -3.484 473 2HB ASN 66 1HB ASN 66 -4.791 -9.088 -4.037 474 1HD2 ASN 66 2HD2 ASN 66 -4.956 -10.358 -0.766 475 2HD2 ASN 66 1HD2 ASN 66 -5.688 -10.178 -2.286 476 H ALA 67 H ALA 67 -1.530 -10.574 -6.096 477 HA ALA 67 HA ALA 67 -2.250 -13.215 -5.073 478 1HB ALA 67 2HB ALA 67 -4.090 -11.917 -6.776 479 2HB ALA 67 1HB ALA 67 -3.259 -13.105 -7.781 480 3HB ALA 67 3HB ALA 67 -4.088 -13.618 -6.311 481 H ALA 68 H ALA 68 -1.489 -11.686 -8.232 482 HA ALA 68 HA ALA 68 1.223 -12.473 -8.323 483 1HB ALA 68 3HB ALA 68 -0.533 -14.685 -8.598 484 2HB ALA 68 2HB ALA 68 0.142 -14.370 -10.195 485 3HB ALA 68 1HB ALA 68 1.214 -14.666 -8.827 486 H ALA 69 H ALA 69 2.180 -11.678 -10.201 487 HA ALA 69 HA ALA 69 0.349 -10.266 -12.061 488 1HB ALA 69 2HB ALA 69 2.451 -9.232 -10.892 489 2HB ALA 69 1HB ALA 69 3.354 -10.090 -12.141 490 3HB ALA 69 3HB ALA 69 2.162 -8.873 -12.595 491 H HIS 70 HN HIS 70 2.573 -10.297 -14.118 492 HA HIS 70 HA HIS 70 2.370 -13.143 -14.990 493 1HB HIS 70 2HB HIS 70 2.017 -12.193 -17.349 494 2HB HIS 70 1HB HIS 70 0.640 -12.099 -16.250 495 HD1 HIS 70 HD1 HIS 70 2.417 -10.058 -18.551 496 HD2 HIS 70 HD2 HIS 70 0.801 -9.387 -14.767 497 HE1 HIS 70 HE1 HIS 70 2.165 -7.549 -18.314 No H/Q in entry = 497 Start of MODEL 10 1 1H GLU 1 2H GLU 1 13.649 -7.011 0.870 2 2H GLU 1 1H GLU 1 13.396 -6.875 -0.803 3 3H GLU 1 3H GLU 1 13.922 -5.531 0.081 4 HA GLU 1 HA GLU 1 11.895 -5.067 0.921 5 1HB GLU 1 2HB GLU 1 10.360 -5.093 -0.833 6 2HB GLU 1 1HB GLU 1 11.877 -5.330 -1.692 7 1HG GLU 1 2HG GLU 1 10.160 -7.656 -0.779 8 2HG GLU 1 1HG GLU 1 9.951 -6.885 -2.347 9 H THR 2 H THR 2 12.123 -8.521 0.152 10 HA THR 2 HA THR 2 11.081 -10.371 1.157 11 HB THR 2 HB THR 2 10.633 -8.862 3.675 12 HG1 THR 2 HG1 THR 2 12.584 -8.136 3.778 13 1HG2 THR 2 1HG2 THR 2 10.420 -11.351 3.411 14 2HG2 THR 2 3HG2 THR 2 12.148 -11.412 3.064 15 3HG2 THR 2 2HG2 THR 2 11.583 -10.866 4.643 16 H VAL 3 H VAL 3 9.112 -10.346 -0.048 17 HA VAL 3 HA VAL 3 6.936 -8.637 0.305 18 HB VAL 3 HB VAL 3 7.224 -10.592 -1.355 19 1HG1 VAL 3 3HG1 VAL 3 7.439 -12.232 0.647 20 2HG1 VAL 3 2HG1 VAL 3 5.680 -12.132 0.728 21 3HG1 VAL 3 1HG1 VAL 3 6.464 -12.735 -0.733 22 1HG2 VAL 3 1HG2 VAL 3 4.965 -9.215 -0.364 23 2HG2 VAL 3 3HG2 VAL 3 5.121 -10.023 -1.923 24 3HG2 VAL 3 2HG2 VAL 3 4.469 -10.899 -0.537 25 H GLU 4 H GLU 4 8.140 -11.079 2.470 26 HA GLU 4 HA GLU 4 5.764 -11.497 4.015 27 1HB GLU 4 2HB GLU 4 7.750 -12.935 4.243 28 2HB GLU 4 1HB GLU 4 8.669 -11.574 4.890 29 1HG GLU 4 2HG GLU 4 7.038 -11.399 6.763 30 2HG GLU 4 1HG GLU 4 6.200 -12.819 6.137 31 H SER 5 H SER 5 8.455 -9.177 4.401 32 HA SER 5 HA SER 5 7.132 -7.844 6.639 33 1HB SER 5 2HB SER 5 9.686 -7.580 5.161 34 2HB SER 5 1HB SER 5 9.041 -6.080 5.821 35 HG SER 5 HG SER 5 9.650 -6.754 7.704 36 H CYS 6 H CYS 6 7.787 -7.031 3.216 37 HA CYS 6 HA CYS 6 6.552 -4.496 3.166 38 1HB CYS 6 2HB CYS 6 6.645 -6.675 1.058 39 2HB CYS 6 1HB CYS 6 5.993 -5.067 0.745 40 H LEU 7 H LEU 7 5.188 -7.671 3.479 41 HA LEU 7 HA LEU 7 2.442 -6.621 3.055 42 1HB LEU 7 2HB LEU 7 3.475 -9.448 3.428 43 2HB LEU 7 1HB LEU 7 1.781 -9.023 3.168 44 HG LEU 7 HG LEU 7 4.076 -8.431 1.278 45 1HD1 LEU 7 1HD1 LEU 7 1.763 -10.379 1.201 46 2HD1 LEU 7 3HD1 LEU 7 2.667 -9.917 -0.241 47 3HD1 LEU 7 2HD1 LEU 7 3.487 -10.738 1.086 48 1HD2 LEU 7 2HD2 LEU 7 1.149 -7.681 1.257 49 2HD2 LEU 7 1HD2 LEU 7 2.549 -6.615 1.118 50 3HD2 LEU 7 3HD2 LEU 7 2.128 -7.697 -0.210 51 H ALA 8 H ALA 8 4.654 -7.623 5.503 52 HA ALA 8 HA ALA 8 2.613 -7.832 7.611 53 1HB ALA 8 3HB ALA 8 4.977 -9.026 7.475 54 2HB ALA 8 2HB ALA 8 5.549 -7.512 8.175 55 3HB ALA 8 1HB ALA 8 4.352 -8.483 9.031 56 H LYS 9 H LYS 9 3.807 -5.428 5.827 57 HA LYS 9 HA LYS 9 4.759 -3.317 7.311 58 1HB LYS 9 2HB LYS 9 3.175 -3.779 4.885 59 2HB LYS 9 1HB LYS 9 2.894 -2.195 5.581 60 1HG LYS 9 2HG LYS 9 5.363 -1.819 5.635 61 2HG LYS 9 1HG LYS 9 5.585 -3.394 4.872 62 1HD LYS 9 2HD LYS 9 4.680 -2.698 2.846 63 2HD LYS 9 1HD LYS 9 3.769 -1.386 3.590 64 1HE LYS 9 2HE LYS 9 6.740 -1.510 3.052 65 2HE LYS 9 1HE LYS 9 5.578 -0.333 2.442 66 1HZ LYS 9 2HZ LYS 9 5.245 -0.046 5.063 67 2HZ LYS 9 1HZ LYS 9 6.888 -0.480 5.030 68 3HZ LYS 9 3HZ LYS 9 6.352 0.872 4.159 69 HA PRO 10 HA PRO 10 1.439 -1.813 9.838 70 1HB PRO 10 2HB PRO 10 1.041 0.809 9.081 71 2HB PRO 10 1HB PRO 10 2.427 0.265 10.044 72 1HG PRO 10 2HG PRO 10 2.325 1.027 7.162 73 2HG PRO 10 1HG PRO 10 3.682 1.112 8.298 74 1HD PRO 10 2HD PRO 10 3.311 -0.859 6.332 75 2HD PRO 10 1HD PRO 10 4.433 -0.977 7.700 76 H HIS 11 H HIS 11 1.025 -2.288 6.615 77 HA HIS 11 HA HIS 11 -0.808 -2.821 5.335 78 1HB HIS 11 2HB HIS 11 -1.991 -2.627 8.034 79 2HB HIS 11 1HB HIS 11 -3.111 -2.434 6.680 80 HD1 HIS 11 HD1 HIS 11 -4.195 -4.716 6.648 81 HD2 HIS 11 HD2 HIS 11 -0.023 -4.967 6.660 82 HE1 HIS 11 HE1 HIS 11 -3.619 -7.154 6.274 83 H THR 12 H THR 12 -2.667 -1.918 4.365 84 HA THR 12 HA THR 12 -2.674 0.181 2.945 85 HB THR 12 HB THR 12 -4.647 -1.306 3.830 86 HG1 THR 12 HG1 THR 12 -5.896 -0.296 2.407 87 1HG2 THR 12 1HG2 THR 12 -5.201 1.406 5.037 88 2HG2 THR 12 3HG2 THR 12 -6.417 0.145 4.837 89 3HG2 THR 12 2HG2 THR 12 -5.040 -0.122 5.904 90 H GLU 13 H GLU 13 -3.559 0.888 6.375 91 HA GLU 13 HA GLU 13 -3.761 3.645 6.129 92 1HB GLU 13 2HB GLU 13 -3.974 2.303 8.282 93 2HB GLU 13 1HB GLU 13 -2.213 2.350 8.393 94 1HG GLU 13 2HG GLU 13 -2.943 5.000 7.858 95 2HG GLU 13 1HG GLU 13 -4.147 4.433 9.019 96 H ASN 14 H ASN 14 -2.447 4.598 4.654 97 HA ASN 14 HA ASN 14 0.061 5.640 5.346 98 1HB ASN 14 2HB ASN 14 0.220 2.879 4.559 99 2HB ASN 14 1HB ASN 14 0.978 3.859 3.306 100 1HD2 ASN 14 2HD2 ASN 14 3.792 4.639 5.282 101 2HD2 ASN 14 1HD2 ASN 14 3.026 4.760 3.771 102 H SER 15 H SER 15 1.216 5.483 2.617 103 HA SER 15 HA SER 15 -0.747 6.003 0.639 104 1HB SER 15 2HB SER 15 -1.481 7.915 1.816 105 2HB SER 15 1HB SER 15 0.156 8.377 2.268 106 HG SER 15 HG SER 15 0.461 9.228 0.337 107 H PHE 16 H PHE 16 0.243 7.411 -1.183 108 HA PHE 16 HA PHE 16 3.141 7.604 -1.255 109 1HB PHE 16 2HB PHE 16 2.673 5.129 -1.568 110 2HB PHE 16 1HB PHE 16 1.835 5.557 -3.061 111 HD1 PHE 16 HD1 PHE 16 5.115 5.433 -1.363 112 HD2 PHE 16 HD2 PHE 16 3.023 6.389 -4.986 113 HE1 PHE 16 HE1 PHE 16 7.274 5.548 -2.579 114 HE2 PHE 16 HE2 PHE 16 5.173 6.512 -6.202 115 HZ PHE 16 HZ PHE 16 7.305 6.086 -5.002 116 H THR 17 H THR 17 3.804 8.396 -3.541 117 HA THR 17 HA THR 17 1.457 9.755 -4.792 118 HB THR 17 HB THR 17 2.554 11.617 -4.082 119 HG1 THR 17 HG1 THR 17 4.369 11.034 -6.163 120 1HG2 THR 17 3HG2 THR 17 4.992 9.841 -4.055 121 2HG2 THR 17 2HG2 THR 17 5.145 11.589 -3.873 122 3HG2 THR 17 1HG2 THR 17 4.209 10.659 -2.703 123 H ASN 18 H ASN 18 1.938 10.409 -7.159 124 HA ASN 18 HA ASN 18 2.513 9.721 -9.344 125 1HB ASN 18 2HB ASN 18 4.817 9.220 -7.835 126 2HB ASN 18 1HB ASN 18 4.480 7.682 -8.630 127 1HD2 ASN 18 2HD2 ASN 18 5.806 8.855 -11.663 128 2HD2 ASN 18 1HD2 ASN 18 5.563 7.556 -10.597 129 H VAL 19 H VAL 19 0.872 8.203 -7.182 130 HA VAL 19 HA VAL 19 0.773 5.487 -7.404 131 HB VAL 19 HB VAL 19 -1.612 7.335 -7.646 132 1HG1 VAL 19 2HG1 VAL 19 -2.041 4.911 -8.116 133 2HG1 VAL 19 1HG1 VAL 19 -1.415 4.535 -6.510 134 3HG1 VAL 19 3HG1 VAL 19 -2.876 5.504 -6.681 135 1HG2 VAL 19 1HG2 VAL 19 0.287 7.314 -5.660 136 2HG2 VAL 19 3HG2 VAL 19 -1.389 7.815 -5.439 137 3HG2 VAL 19 2HG2 VAL 19 -0.900 6.169 -5.038 138 H TRP 20 H TRP 20 -0.312 3.985 -8.769 139 HA TRP 20 HA TRP 20 -1.101 4.926 -11.469 140 1HB TRP 20 2HB TRP 20 0.507 3.768 -12.619 141 2HB TRP 20 1HB TRP 20 1.411 3.878 -11.115 142 HD1 TRP 20 HD1 TRP 20 -0.611 1.438 -13.241 143 HE1 TRP 20 HE1 TRP 20 -0.231 -0.957 -12.371 144 HE3 TRP 20 HE3 TRP 20 2.085 2.457 -9.028 145 HZ2 TRP 20 HZ2 TRP 20 1.077 -2.268 -10.193 146 HZ3 TRP 20 HZ3 TRP 20 2.893 0.619 -7.582 147 HH2 TRP 20 HH2 TRP 20 2.392 -1.739 -8.160 148 H LYS 21 H LYS 21 -1.880 2.622 -12.621 149 HA LYS 21 HA LYS 21 -3.254 0.959 -10.607 150 1HB LYS 21 2HB LYS 21 -4.794 2.886 -11.116 151 2HB LYS 21 1HB LYS 21 -4.831 2.339 -12.794 152 1HG LYS 21 2HG LYS 21 -5.347 -0.001 -11.542 153 2HG LYS 21 1HG LYS 21 -6.062 1.121 -10.383 154 1HD LYS 21 2HD LYS 21 -7.874 1.221 -11.721 155 2HD LYS 21 1HD LYS 21 -6.872 2.064 -12.903 156 1HE LYS 21 2HE LYS 21 -7.925 0.091 -13.927 157 2HE LYS 21 1HE LYS 21 -6.176 -0.117 -13.851 158 1HZ LYS 21 2HZ LYS 21 -7.500 -1.037 -11.487 159 2HZ LYS 21 1HZ LYS 21 -8.034 -1.851 -12.880 160 3HZ LYS 21 3HZ LYS 21 -6.384 -1.840 -12.485 161 H ASP 22 H ASP 22 -2.779 -1.076 -11.264 162 HA ASP 22 HA ASP 22 -2.331 -1.565 -14.146 163 1HB ASP 22 2HB ASP 22 -1.213 -2.581 -11.716 164 2HB ASP 22 1HB ASP 22 -1.966 -3.921 -12.581 165 H ASP 23 H ASP 23 -3.804 -2.611 -15.365 166 HA ASP 23 HA ASP 23 -6.316 -3.516 -14.141 167 1HB ASP 23 2HB ASP 23 -7.123 -3.746 -16.382 168 2HB ASP 23 1HB ASP 23 -6.114 -2.300 -16.397 169 H LYS 24 H LYS 24 -3.271 -4.792 -14.900 170 HA LYS 24 HA LYS 24 -4.105 -7.545 -15.403 171 1HB LYS 24 2HB LYS 24 -1.523 -6.064 -15.018 172 2HB LYS 24 1HB LYS 24 -1.530 -7.816 -14.798 173 1HG LYS 24 2HG LYS 24 -2.918 -7.660 -17.110 174 2HG LYS 24 1HG LYS 24 -1.910 -6.221 -17.275 175 1HD LYS 24 2HD LYS 24 -0.165 -7.514 -17.851 176 2HD LYS 24 1HD LYS 24 -0.253 -8.316 -16.282 177 1HE LYS 24 2HE LYS 24 -1.103 -10.182 -17.211 178 2HE LYS 24 1HE LYS 24 -2.370 -9.258 -18.020 179 1HZ LYS 24 3HZ LYS 24 0.012 -8.692 -19.328 180 2HZ LYS 24 2HZ LYS 24 -0.028 -10.378 -19.121 181 3HZ LYS 24 1HZ LYS 24 -1.303 -9.586 -19.916 182 H THR 25 H THR 25 -2.349 -5.875 -12.781 183 HA THR 25 HA THR 25 -2.708 -8.059 -10.915 184 HB THR 25 HB THR 25 -2.063 -6.236 -9.226 185 HG1 THR 25 HG1 THR 25 -2.840 -4.653 -10.989 186 1HG2 THR 25 1HG2 THR 25 -0.450 -7.138 -11.575 187 2HG2 THR 25 3HG2 THR 25 0.252 -5.948 -10.480 188 3HG2 THR 25 2HG2 THR 25 -0.250 -7.521 -9.866 189 H LEU 26 H LEU 26 -4.485 -5.217 -11.872 190 HA LEU 26 HA LEU 26 -6.767 -4.750 -11.569 191 1HB LEU 26 2HB LEU 26 -6.508 -7.482 -10.934 192 2HB LEU 26 1HB LEU 26 -7.466 -6.765 -9.639 193 HG LEU 26 HG LEU 26 -8.013 -6.488 -12.611 194 1HD1 LEU 26 3HD1 LEU 26 -9.306 -8.087 -10.395 195 2HD1 LEU 26 2HD1 LEU 26 -10.142 -7.718 -11.903 196 3HD1 LEU 26 1HD1 LEU 26 -8.662 -8.679 -11.927 197 1HD2 LEU 26 2HD2 LEU 26 -9.333 -5.333 -10.147 198 2HD2 LEU 26 1HD2 LEU 26 -8.723 -4.469 -11.558 199 3HD2 LEU 26 3HD2 LEU 26 -10.176 -5.459 -11.692 200 H ASP 27 H ASP 27 -5.565 -2.951 -10.219 201 HA ASP 27 HA ASP 27 -7.093 -2.380 -7.931 202 1HB ASP 27 2HB ASP 27 -5.259 -4.462 -7.402 203 2HB ASP 27 1HB ASP 27 -4.633 -3.031 -6.586 204 H ARG 28 H ARG 28 -6.241 -0.540 -6.628 205 HA ARG 28 HA ARG 28 -4.586 1.228 -8.269 206 1HB ARG 28 2HB ARG 28 -6.456 1.999 -6.717 207 2HB ARG 28 1HB ARG 28 -5.402 1.585 -5.365 208 1HG ARG 28 2HG ARG 28 -5.002 3.890 -5.721 209 2HG ARG 28 1HG ARG 28 -3.647 3.087 -6.518 210 1HD ARG 28 2HD ARG 28 -4.480 4.752 -8.047 211 2HD ARG 28 1HD ARG 28 -4.978 3.178 -8.668 212 HE ARG 28 HE ARG 28 -7.210 3.718 -7.434 213 1HH1 ARG 28 1HH2 ARG 28 -5.432 6.470 -7.283 214 2HH1 ARG 28 2HH2 ARG 28 -6.480 7.454 -8.247 215 1HH2 ARG 28 1HH1 ARG 28 -8.169 6.505 -9.413 216 2HH2 ARG 28 2HH1 ARG 28 -8.414 4.791 -9.342 217 H TYR 29 H TYR 29 -2.361 1.895 -7.614 218 HA TYR 29 HA TYR 29 -1.217 0.163 -5.486 219 1HB TYR 29 2HB TYR 29 -0.088 0.368 -8.284 220 2HB TYR 29 1HB TYR 29 0.636 -0.516 -6.945 221 HD1 TYR 29 HD2 TYR 29 -1.244 -2.060 -5.659 222 HD2 TYR 29 HD1 TYR 29 -1.240 -0.942 -9.805 223 HE1 TYR 29 HE2 TYR 29 -2.657 -4.027 -6.191 224 HE2 TYR 29 HE1 TYR 29 -2.655 -2.904 -10.338 225 HH TYR 29 HH TYR 29 -3.998 -4.503 -9.418 226 H ALA 30 H ALA 30 0.598 0.905 -4.489 227 HA ALA 30 HA ALA 30 1.572 3.621 -5.273 228 1HB ALA 30 1HB ALA 30 0.579 2.579 -2.670 229 2HB ALA 30 3HB ALA 30 2.033 3.574 -2.600 230 3HB ALA 30 2HB ALA 30 0.551 4.223 -3.303 231 H ASN 31 H ASN 31 3.446 2.854 -6.287 232 HA ASN 31 HA ASN 31 5.060 0.700 -5.380 233 1HB ASN 31 2HB ASN 31 6.857 1.767 -6.778 234 2HB ASN 31 1HB ASN 31 5.326 1.552 -7.627 235 1HD2 ASN 31 2HD2 ASN 31 4.699 5.034 -7.947 236 2HD2 ASN 31 1HD2 ASN 31 4.039 3.477 -8.085 237 H TYR 32 H TYR 32 5.701 0.724 -3.242 238 HA TYR 32 HA TYR 32 6.955 3.196 -2.172 239 1HB TYR 32 2HB TYR 32 5.202 1.542 -0.982 240 2HB TYR 32 1HB TYR 32 6.699 0.737 -0.511 241 HD1 TYR 32 HD2 TYR 32 8.630 2.464 0.255 242 HD2 TYR 32 HD1 TYR 32 4.402 3.196 0.445 243 HE1 TYR 32 HE2 TYR 32 9.005 4.179 2.007 244 HE2 TYR 32 HE1 TYR 32 4.778 4.912 2.196 245 HH TYR 32 HH TYR 32 7.482 6.395 2.768 246 H GLU 33 H GLU 33 8.540 2.183 -4.087 247 HA GLU 33 HA GLU 33 10.536 0.972 -4.571 248 1HB GLU 33 2HB GLU 33 10.880 2.968 -2.417 249 2HB GLU 33 1HB GLU 33 12.212 1.827 -2.609 250 1HG GLU 33 2HG GLU 33 11.027 3.181 -5.021 251 2HG GLU 33 1HG GLU 33 12.227 4.018 -4.033 252 H GLY 34 H GLY 34 10.229 -1.253 -4.234 253 1HA GLY 34 2HA GLY 34 11.263 -3.166 -3.131 254 2HA GLY 34 1HA GLY 34 11.256 -2.252 -1.621 255 H CYS 35 H CYS 35 8.635 -1.355 -1.506 256 HA CYS 35 HA CYS 35 7.127 -3.938 -1.397 257 1HB CYS 35 2HB CYS 35 6.613 -1.486 0.307 258 2HB CYS 35 1HB CYS 35 5.932 -3.098 0.518 259 H LEU 36 H LEU 36 4.717 -3.641 -1.674 260 HA LEU 36 HA LEU 36 4.069 -1.268 -3.360 261 1HB LEU 36 2HB LEU 36 4.520 -3.196 -4.853 262 2HB LEU 36 1HB LEU 36 3.275 -4.118 -4.013 263 HG LEU 36 HG LEU 36 1.762 -2.052 -4.539 264 1HD1 LEU 36 1HD1 LEU 36 3.781 -0.750 -5.373 265 2HD1 LEU 36 3HD1 LEU 36 3.774 -1.807 -6.783 266 3HD1 LEU 36 2HD1 LEU 36 2.391 -0.767 -6.453 267 1HD2 LEU 36 2HD2 LEU 36 2.380 -4.480 -5.939 268 2HD2 LEU 36 1HD2 LEU 36 0.845 -3.613 -5.879 269 3HD2 LEU 36 3HD2 LEU 36 2.030 -3.226 -7.126 270 H TRP 37 H TRP 37 2.209 -0.330 -2.742 271 HA TRP 37 HA TRP 37 0.480 -1.829 -0.849 272 1HB TRP 37 2HB TRP 37 0.407 1.123 -1.510 273 2HB TRP 37 1HB TRP 37 -0.401 0.295 -0.188 274 HD1 TRP 37 HD1 TRP 37 3.265 0.550 -1.403 275 HE1 TRP 37 HE1 TRP 37 4.746 0.828 0.689 276 HE3 TRP 37 HE3 TRP 37 -0.315 0.425 2.233 277 HZ2 TRP 37 HZ2 TRP 37 4.446 0.977 3.528 278 HZ3 TRP 37 HZ3 TRP 37 0.305 0.629 4.616 279 HH2 TRP 37 HH2 TRP 37 2.683 0.909 5.272 280 H ASN 38 H ASN 38 -1.948 -1.181 -1.115 281 HA ASN 38 HA ASN 38 -2.665 -0.896 -3.979 282 1HB ASN 38 2HB ASN 38 -2.970 -3.151 -4.078 283 2HB ASN 38 1HB ASN 38 -2.969 -3.322 -2.328 284 1HD2 ASN 38 2HD2 ASN 38 -6.598 -2.204 -3.912 285 2HD2 ASN 38 1HD2 ASN 38 -5.191 -1.407 -4.427 286 H ALA 39 H ALA 39 -4.053 0.757 -4.060 287 HA ALA 39 HA ALA 39 -5.689 1.415 -1.684 288 1HB ALA 39 2HB ALA 39 -4.808 2.855 -4.139 289 2HB ALA 39 1HB ALA 39 -6.363 3.326 -3.453 290 3HB ALA 39 3HB ALA 39 -4.900 3.426 -2.473 291 H THR 40 H THR 40 -7.943 1.359 -1.708 292 HA THR 40 HA THR 40 -9.253 0.278 -4.161 293 HB THR 40 HB THR 40 -9.316 -1.707 -3.012 294 HG1 THR 40 HG1 THR 40 -11.233 -1.844 -1.837 295 1HG2 THR 40 1HG2 THR 40 -8.788 0.040 -0.642 296 2HG2 THR 40 3HG2 THR 40 -9.495 -1.550 -0.352 297 3HG2 THR 40 2HG2 THR 40 -7.942 -1.411 -1.177 298 H GLY 41 H GLY 41 -10.270 1.150 -0.838 299 1HA GLY 41 2HA GLY 41 -12.742 2.297 -1.607 300 2HA GLY 41 1HA GLY 41 -11.891 2.679 -0.110 301 H VAL 42 H VAL 42 -12.586 4.913 -0.388 302 HA VAL 42 HA VAL 42 -11.735 6.435 -2.712 303 HB VAL 42 HB VAL 42 -12.592 7.397 0.034 304 1HG1 VAL 42 3HG1 VAL 42 -11.336 8.992 -1.546 305 2HG1 VAL 42 2HG1 VAL 42 -12.745 8.872 -2.601 306 3HG1 VAL 42 1HG1 VAL 42 -12.914 9.529 -0.973 307 1HG2 VAL 42 1HG2 VAL 42 -14.058 6.022 -1.949 308 2HG2 VAL 42 3HG2 VAL 42 -14.707 6.884 -0.554 309 3HG2 VAL 42 2HG2 VAL 42 -14.523 7.716 -2.098 310 H VAL 43 H VAL 43 -10.027 8.004 -2.759 311 HA VAL 43 HA VAL 43 -8.097 7.960 -0.508 312 HB VAL 43 HB VAL 43 -7.295 7.345 -3.367 313 1HG1 VAL 43 3HG1 VAL 43 -5.738 8.567 -1.626 314 2HG1 VAL 43 2HG1 VAL 43 -5.587 6.953 -0.932 315 3HG1 VAL 43 1HG1 VAL 43 -5.098 7.244 -2.601 316 1HG2 VAL 43 3HG2 VAL 43 -7.958 5.625 -1.012 317 2HG2 VAL 43 2HG2 VAL 43 -8.229 5.327 -2.729 318 3HG2 VAL 43 1HG2 VAL 43 -6.615 5.130 -2.043 319 H VAL 44 H VAL 44 -7.492 10.049 -0.131 320 HA VAL 44 HA VAL 44 -8.337 12.255 -1.671 321 HB VAL 44 HB VAL 44 -5.950 11.964 0.177 322 1HG1 VAL 44 3HG1 VAL 44 -7.154 14.475 -1.032 323 2HG1 VAL 44 2HG1 VAL 44 -5.899 14.438 0.207 324 3HG1 VAL 44 1HG1 VAL 44 -5.563 13.813 -1.407 325 1HG2 VAL 44 1HG2 VAL 44 -8.395 11.750 0.991 326 2HG2 VAL 44 3HG2 VAL 44 -7.364 12.909 1.831 327 3HG2 VAL 44 2HG2 VAL 44 -8.529 13.471 0.632 328 H CYS 45 H CYS 45 -7.889 12.362 -3.839 329 HA CYS 45 HA CYS 45 -5.069 11.846 -4.681 330 1HB CYS 45 2HB CYS 45 -7.704 11.250 -5.874 331 2HB CYS 45 1HB CYS 45 -6.502 11.865 -7.008 332 H THR 46 H THR 46 -3.991 13.397 -5.889 333 HA THR 46 HA THR 46 -5.455 15.890 -6.595 334 HB THR 46 HB THR 46 -4.393 16.242 -4.372 335 HG1 THR 46 HG1 THR 46 -4.499 18.021 -5.682 336 1HG2 THR 46 2HG2 THR 46 -2.235 14.840 -5.677 337 2HG2 THR 46 1HG2 THR 46 -1.668 16.404 -5.090 338 3HG2 THR 46 3HG2 THR 46 -2.412 15.258 -3.973 339 H GLY 47 H GLY 47 -4.412 17.076 -8.312 340 1HA GLY 47 2HA GLY 47 -3.060 17.311 -10.228 341 2HA GLY 47 1HA GLY 47 -1.912 16.201 -9.473 342 H ASP 48 H ASP 48 -5.250 16.016 -10.775 343 HA ASP 48 HA ASP 48 -6.220 14.391 -12.169 344 1HB ASP 48 2HB ASP 48 -3.308 14.186 -12.931 345 2HB ASP 48 1HB ASP 48 -4.515 13.111 -13.633 346 H GLU 49 H GLU 49 -4.854 13.841 -9.424 347 HA GLU 49 HA GLU 49 -5.008 12.027 -7.968 348 1HB GLU 49 2HB GLU 49 -5.624 10.276 -10.359 349 2HB GLU 49 1HB GLU 49 -5.968 9.943 -8.663 350 1HG GLU 49 2HG GLU 49 -7.333 12.203 -8.818 351 2HG GLU 49 1HG GLU 49 -7.361 11.820 -10.539 352 H THR 50 H THR 50 -2.587 12.876 -9.440 353 HA THR 50 HA THR 50 -1.085 10.441 -9.993 354 HB THR 50 HB THR 50 0.829 12.338 -9.594 355 HG1 THR 50 HG1 THR 50 0.025 14.281 -9.791 356 1HG2 THR 50 3HG2 THR 50 0.250 10.928 -11.621 357 2HG2 THR 50 2HG2 THR 50 -0.886 12.200 -12.076 358 3HG2 THR 50 1HG2 THR 50 0.840 12.552 -11.980 359 H GLN 51 H GLN 51 -1.246 12.812 -7.335 360 HA GLN 51 HA GLN 51 0.300 10.897 -5.649 361 1HB GLN 51 2HB GLN 51 -0.524 13.691 -4.845 362 2HB GLN 51 1HB GLN 51 0.769 12.697 -4.175 363 1HG GLN 51 2HG GLN 51 2.238 13.260 -5.831 364 2HG GLN 51 1HG GLN 51 0.987 13.262 -7.074 365 1HE2 GLN 51 2HE2 GLN 51 1.493 16.801 -6.984 366 2HE2 GLN 51 1HE2 GLN 51 1.872 15.380 -7.832 367 H CYS 52 H CYS 52 -0.769 9.904 -3.906 368 HA CYS 52 HA CYS 52 -3.441 10.931 -3.205 369 1HB CYS 52 2HB CYS 52 -3.262 9.018 -5.157 370 2HB CYS 52 1HB CYS 52 -3.479 8.031 -3.714 371 H TYR 53 H TYR 53 -4.230 10.174 -1.184 372 HA TYR 53 HA TYR 53 -2.434 8.357 0.333 373 1HB TYR 53 2HB TYR 53 -1.648 10.286 1.333 374 2HB TYR 53 1HB TYR 53 -3.113 11.193 0.971 375 HD1 TYR 53 HD2 TYR 53 -5.075 11.065 2.431 376 HD2 TYR 53 HD1 TYR 53 -1.482 8.899 3.361 377 HE1 TYR 53 HE2 TYR 53 -5.906 10.669 4.733 378 HE2 TYR 53 HE1 TYR 53 -2.318 8.498 5.663 379 HH TYR 53 HH TYR 53 -4.017 8.745 7.066 380 H GLY 54 H GLY 54 -3.518 7.349 2.186 381 1HA GLY 54 2HA GLY 54 -5.973 7.497 3.244 382 2HA GLY 54 1HA GLY 54 -6.396 6.927 1.627 383 H THR 55 H THR 55 -6.587 4.741 1.507 384 HA THR 55 HA THR 55 -4.868 3.118 3.344 385 HB THR 55 HB THR 55 -6.725 1.349 3.020 386 HG1 THR 55 HG1 THR 55 -8.106 3.708 2.251 387 1HG2 THR 55 3HG2 THR 55 -6.260 3.012 5.000 388 2HG2 THR 55 2HG2 THR 55 -7.759 3.765 4.456 389 3HG2 THR 55 1HG2 THR 55 -7.751 2.076 4.963 390 H TRP 56 H TRP 56 -3.497 1.799 2.373 391 HA TRP 56 HA TRP 56 -3.951 0.977 -0.457 392 1HB TRP 56 2HB TRP 56 -1.320 1.698 0.813 393 2HB TRP 56 1HB TRP 56 -1.623 1.359 -0.892 394 HD1 TRP 56 HD1 TRP 56 -2.613 3.936 1.800 395 HE1 TRP 56 HE1 TRP 56 -3.033 6.182 0.618 396 HE3 TRP 56 HE3 TRP 56 -2.006 2.460 -3.025 397 HZ2 TRP 56 HZ2 TRP 56 -3.099 7.211 -2.083 398 HZ3 TRP 56 HZ3 TRP 56 -2.251 4.059 -4.890 399 HH2 TRP 56 HH2 TRP 56 -2.796 6.444 -4.428 400 H VAL 57 H VAL 57 -4.737 -1.013 0.953 401 HA VAL 57 HA VAL 57 -3.145 -2.511 2.654 402 HB VAL 57 HB VAL 57 -4.817 -3.613 0.367 403 1HG1 VAL 57 3HG1 VAL 57 -3.097 -5.100 1.725 404 2HG1 VAL 57 2HG1 VAL 57 -4.340 -5.019 2.973 405 3HG1 VAL 57 1HG1 VAL 57 -4.722 -5.699 1.392 406 1HG2 VAL 57 1HG2 VAL 57 -5.473 -2.901 3.244 407 2HG2 VAL 57 3HG2 VAL 57 -6.128 -2.143 1.792 408 3HG2 VAL 57 2HG2 VAL 57 -6.548 -3.812 2.182 409 HA PRO 58 HA PRO 58 0.452 -3.300 0.171 410 1HB PRO 58 2HB PRO 58 1.695 -4.983 1.981 411 2HB PRO 58 1HB PRO 58 1.738 -3.211 2.072 412 1HG PRO 58 2HG PRO 58 0.142 -5.141 3.700 413 2HG PRO 58 1HG PRO 58 0.739 -3.524 4.134 414 1HD PRO 58 2HD PRO 58 -1.912 -4.125 3.398 415 2HD PRO 58 1HD PRO 58 -1.189 -2.502 3.393 416 H ILE 59 H ILE 59 0.848 -4.838 -1.374 417 HA ILE 59 HA ILE 59 -0.322 -7.548 -0.991 418 HB ILE 59 HB ILE 59 -1.123 -7.445 -3.363 419 1HG1 ILE 59 2HG1 ILE 59 0.454 -5.546 -3.973 420 2HG1 ILE 59 1HG1 ILE 59 -1.204 -5.354 -4.537 421 1HG2 ILE 59 3HG2 ILE 59 -2.179 -5.626 -1.215 422 2HG2 ILE 59 2HG2 ILE 59 -2.960 -5.652 -2.796 423 3HG2 ILE 59 1HG2 ILE 59 -2.861 -7.128 -1.838 424 1HD1 ILE 59 2HD1 ILE 59 -1.213 -4.193 -1.996 425 2HD1 ILE 59 1HD1 ILE 59 0.316 -3.687 -2.709 426 3HD1 ILE 59 3HD1 ILE 59 -1.192 -3.343 -3.541 427 H GLY 60 H GLY 60 2.146 -5.521 -2.548 428 1HA GLY 60 2HA GLY 60 3.572 -8.066 -3.152 429 2HA GLY 60 1HA GLY 60 3.288 -6.959 -4.490 430 H LEU 61 H LEU 61 5.560 -6.750 -4.771 431 HA LEU 61 HA LEU 61 7.031 -5.360 -2.593 432 1HB LEU 61 2HB LEU 61 8.167 -6.406 -5.195 433 2HB LEU 61 1HB LEU 61 9.040 -6.009 -3.715 434 HG LEU 61 HG LEU 61 7.109 -8.301 -4.145 435 1HD1 LEU 61 2HD1 LEU 61 9.867 -8.083 -4.511 436 2HD1 LEU 61 1HD1 LEU 61 9.705 -8.833 -2.924 437 3HD1 LEU 61 3HD1 LEU 61 8.958 -9.584 -4.333 438 1HD2 LEU 61 3HD2 LEU 61 8.022 -6.915 -1.681 439 2HD2 LEU 61 2HD2 LEU 61 6.558 -7.856 -1.965 440 3HD2 LEU 61 1HD2 LEU 61 8.085 -8.676 -1.643 441 H ALA 62 H ALA 62 5.833 -4.949 -5.885 442 HA ALA 62 HA ALA 62 5.750 -2.139 -5.750 443 1HB ALA 62 2HB ALA 62 8.389 -3.259 -6.576 444 2HB ALA 62 1HB ALA 62 7.794 -1.838 -7.435 445 3HB ALA 62 3HB ALA 62 8.024 -1.780 -5.687 446 H ILE 63 H ILE 63 4.025 -3.981 -6.872 447 HA ILE 63 HA ILE 63 3.272 -2.923 -9.280 448 HB ILE 63 HB ILE 63 5.698 -4.454 -9.658 449 1HG1 ILE 63 2HG1 ILE 63 5.360 -2.240 -10.574 450 2HG1 ILE 63 1HG1 ILE 63 5.494 -3.368 -11.922 451 1HG2 ILE 63 3HG2 ILE 63 4.084 -6.292 -10.221 452 2HG2 ILE 63 2HG2 ILE 63 3.388 -5.244 -11.455 453 3HG2 ILE 63 1HG2 ILE 63 5.064 -5.776 -11.592 454 1HD1 ILE 63 1HD1 ILE 63 2.756 -3.318 -11.207 455 2HD1 ILE 63 3HD1 ILE 63 3.289 -1.637 -11.230 456 3HD1 ILE 63 2HD1 ILE 63 3.494 -2.646 -12.662 457 HA PRO 64 HA PRO 64 1.471 -7.364 -9.182 458 1HB PRO 64 2HB PRO 64 2.219 -8.961 -7.069 459 2HB PRO 64 1HB PRO 64 2.999 -8.976 -8.663 460 1HG PRO 64 2HG PRO 64 3.970 -7.789 -6.101 461 2HG PRO 64 1HG PRO 64 4.901 -8.404 -7.477 462 1HD PRO 64 2HD PRO 64 4.433 -5.698 -6.915 463 2HD PRO 64 1HD PRO 64 4.987 -6.336 -8.475 464 H GLU 65 H GLU 65 -0.356 -8.266 -8.011 465 HA GLU 65 HA GLU 65 -1.050 -6.899 -5.463 466 1HB GLU 65 2HB GLU 65 -2.124 -5.651 -7.346 467 2HB GLU 65 1HB GLU 65 -2.950 -7.133 -7.831 468 1HG GLU 65 2HG GLU 65 -3.170 -6.132 -4.999 469 2HG GLU 65 1HG GLU 65 -4.196 -5.457 -6.262 470 H ASN 66 H ASN 66 -3.012 -8.943 -7.607 471 HA ASN 66 HA ASN 66 -3.201 -10.904 -5.369 472 1HB ASN 66 2HB ASN 66 -5.344 -9.974 -6.122 473 2HB ASN 66 1HB ASN 66 -4.994 -10.465 -7.778 474 1HD2 ASN 66 2HD2 ASN 66 -5.621 -13.524 -5.086 475 2HD2 ASN 66 1HD2 ASN 66 -4.746 -12.158 -4.588 476 H ALA 67 H ALA 67 -0.993 -10.687 -7.400 477 HA ALA 67 HA ALA 67 -0.668 -13.488 -7.922 478 1HB ALA 67 2HB ALA 67 -1.836 -11.791 -10.093 479 2HB ALA 67 1HB ALA 67 -0.638 -13.006 -10.543 480 3HB ALA 67 3HB ALA 67 -2.123 -13.491 -9.724 481 H ALA 68 H ALA 68 1.373 -13.886 -9.150 482 HA ALA 68 HA ALA 68 3.317 -11.755 -8.568 483 1HB ALA 68 2HB ALA 68 3.481 -14.639 -9.403 484 2HB ALA 68 1HB ALA 68 4.890 -13.595 -9.594 485 3HB ALA 68 3HB ALA 68 4.190 -13.848 -7.995 486 H ALA 69 H ALA 69 1.234 -11.996 -10.968 487 HA ALA 69 HA ALA 69 1.212 -11.380 -13.235 488 1HB ALA 69 2HB ALA 69 3.183 -9.672 -11.853 489 2HB ALA 69 1HB ALA 69 3.387 -9.753 -13.602 490 3HB ALA 69 3HB ALA 69 1.852 -9.219 -12.917 491 H HIS 70 HN HIS 70 1.717 -13.472 -14.093 492 HA HIS 70 HA HIS 70 3.068 -15.107 -15.126 493 1HB HIS 70 2HB HIS 70 3.062 -12.935 -16.631 494 2HB HIS 70 1HB HIS 70 4.760 -12.856 -16.162 495 HD1 HIS 70 HD1 HIS 70 4.514 -16.239 -16.016 496 HD2 HIS 70 HD2 HIS 70 4.194 -13.664 -19.282 497 HE1 HIS 70 HE1 HIS 70 5.010 -17.628 -18.076 No H/Q in entry = 497 Start of MODEL 11 1 1H GLU 1 1H GLU 1 12.972 -7.703 -1.981 2 2H GLU 1 3H GLU 1 12.085 -6.398 -2.606 3 3H GLU 1 2H GLU 1 13.562 -6.118 -1.814 4 HA GLU 1 HA GLU 1 12.682 -6.293 0.242 5 1HB GLU 1 2HB GLU 1 11.348 -4.541 -0.789 6 2HB GLU 1 1HB GLU 1 10.265 -5.736 -1.506 7 1HG GLU 1 2HG GLU 1 9.137 -4.936 0.440 8 2HG GLU 1 1HG GLU 1 9.774 -6.520 0.876 9 H THR 2 H THR 2 11.558 -7.575 1.769 10 HA THR 2 HA THR 2 10.802 -10.244 0.795 11 HB THR 2 HB THR 2 10.488 -9.308 3.640 12 HG1 THR 2 HG1 THR 2 12.862 -9.853 2.214 13 1HG2 THR 2 2HG2 THR 2 9.869 -11.645 2.640 14 2HG2 THR 2 1HG2 THR 2 11.612 -11.920 2.664 15 3HG2 THR 2 3HG2 THR 2 10.754 -11.574 4.165 16 H VAL 3 H VAL 3 8.678 -10.916 0.536 17 HA VAL 3 HA VAL 3 6.607 -8.896 0.624 18 HB VAL 3 HB VAL 3 5.886 -11.799 0.545 19 1HG1 VAL 3 2HG1 VAL 3 4.822 -9.239 -0.295 20 2HG1 VAL 3 1HG1 VAL 3 4.900 -10.353 -1.659 21 3HG1 VAL 3 3HG1 VAL 3 4.010 -10.802 -0.204 22 1HG2 VAL 3 2HG2 VAL 3 7.801 -10.447 -1.288 23 2HG2 VAL 3 1HG2 VAL 3 7.640 -12.159 -0.897 24 3HG2 VAL 3 3HG2 VAL 3 6.535 -11.410 -2.049 25 H GLU 4 H GLU 4 7.781 -11.315 2.846 26 HA GLU 4 HA GLU 4 5.470 -11.467 4.548 27 1HB GLU 4 2HB GLU 4 7.847 -12.782 4.464 28 2HB GLU 4 1HB GLU 4 8.139 -11.692 5.819 29 1HG GLU 4 2HG GLU 4 5.493 -12.746 6.078 30 2HG GLU 4 1HG GLU 4 6.598 -14.093 5.798 31 H SER 5 H SER 5 8.412 -9.433 4.714 32 HA SER 5 HA SER 5 7.409 -7.966 7.023 33 1HB SER 5 2HB SER 5 9.679 -7.405 5.092 34 2HB SER 5 1HB SER 5 9.325 -6.411 6.502 35 HG SER 5 HG SER 5 9.843 -8.081 7.812 36 H CYS 6 H CYS 6 7.609 -7.369 3.526 37 HA CYS 6 HA CYS 6 6.604 -4.725 3.507 38 1HB CYS 6 2HB CYS 6 7.430 -6.158 1.516 39 2HB CYS 6 1HB CYS 6 5.784 -6.789 1.460 40 H LEU 7 H LEU 7 5.057 -7.788 4.089 41 HA LEU 7 HA LEU 7 2.368 -6.561 4.016 42 1HB LEU 7 2HB LEU 7 3.237 -9.390 4.659 43 2HB LEU 7 1HB LEU 7 1.569 -8.843 4.489 44 HG LEU 7 HG LEU 7 3.508 -8.338 2.259 45 1HD1 LEU 7 1HD1 LEU 7 3.203 -10.887 3.249 46 2HD1 LEU 7 3HD1 LEU 7 1.932 -10.815 2.027 47 3HD1 LEU 7 2HD1 LEU 7 3.608 -10.500 1.578 48 1HD2 LEU 7 2HD2 LEU 7 0.788 -7.867 2.720 49 2HD2 LEU 7 1HD2 LEU 7 1.616 -7.758 1.167 50 3HD2 LEU 7 3HD2 LEU 7 0.812 -9.256 1.634 51 H ALA 8 H ALA 8 4.867 -7.522 6.208 52 HA ALA 8 HA ALA 8 3.300 -7.593 8.632 53 1HB ALA 8 2HB ALA 8 5.656 -8.482 8.410 54 2HB ALA 8 1HB ALA 8 6.219 -6.814 8.331 55 3HB ALA 8 3HB ALA 8 5.431 -7.409 9.792 56 H LYS 9 H LYS 9 4.227 -5.182 6.479 57 HA LYS 9 HA LYS 9 4.673 -2.843 7.890 58 1HB LYS 9 2HB LYS 9 3.031 -3.435 5.400 59 2HB LYS 9 1HB LYS 9 3.559 -1.818 5.850 60 1HG LYS 9 2HG LYS 9 5.926 -2.751 5.976 61 2HG LYS 9 1HG LYS 9 5.292 -4.185 5.176 62 1HD LYS 9 2HD LYS 9 5.366 -3.159 3.179 63 2HD LYS 9 1HD LYS 9 4.391 -1.826 3.793 64 1HE LYS 9 2HE LYS 9 7.399 -2.121 3.917 65 2HE LYS 9 1HE LYS 9 6.475 -0.863 3.098 66 1HZ LYS 9 2HZ LYS 9 5.559 -0.574 5.558 67 2HZ LYS 9 1HZ LYS 9 7.109 -1.164 5.923 68 3HZ LYS 9 3HZ LYS 9 6.938 0.243 4.993 69 HA PRO 10 HA PRO 10 0.923 -1.809 9.961 70 1HB PRO 10 2HB PRO 10 0.097 0.647 9.016 71 2HB PRO 10 1HB PRO 10 1.463 0.419 10.121 72 1HG PRO 10 2HG PRO 10 1.491 1.031 7.204 73 2HG PRO 10 1HG PRO 10 2.700 1.412 8.443 74 1HD PRO 10 2HD PRO 10 2.854 -0.672 6.568 75 2HD PRO 10 1HD PRO 10 3.874 -0.518 8.012 76 H HIS 11 H HIS 11 0.836 -2.389 6.692 77 HA HIS 11 HA HIS 11 -0.817 -3.313 5.351 78 1HB HIS 11 2HB HIS 11 -1.852 -3.587 8.039 79 2HB HIS 11 1HB HIS 11 -3.147 -3.312 6.868 80 HD1 HIS 11 HD1 HIS 11 -3.734 -5.212 5.315 81 HD2 HIS 11 HD2 HIS 11 -0.162 -5.902 7.356 82 HE1 HIS 11 HE1 HIS 11 -3.051 -7.591 4.783 83 H THR 12 H THR 12 -0.751 -1.237 4.180 84 HA THR 12 HA THR 12 -2.099 0.218 2.954 85 HB THR 12 HB THR 12 -3.943 -1.301 4.265 86 HG1 THR 12 HG1 THR 12 -5.322 -0.551 2.756 87 1HG2 THR 12 3HG2 THR 12 -4.460 1.599 4.942 88 2HG2 THR 12 2HG2 THR 12 -5.717 0.364 4.966 89 3HG2 THR 12 1HG2 THR 12 -4.356 0.251 6.068 90 H GLU 13 H GLU 13 -2.683 0.879 6.448 91 HA GLU 13 HA GLU 13 -3.006 3.609 6.228 92 1HB GLU 13 2HB GLU 13 -2.946 2.229 8.386 93 2HB GLU 13 1HB GLU 13 -1.195 2.456 8.362 94 1HG GLU 13 2HG GLU 13 -2.059 5.015 7.907 95 2HG GLU 13 1HG GLU 13 -3.337 4.403 8.962 96 H ASN 14 H ASN 14 -1.869 4.658 4.690 97 HA ASN 14 HA ASN 14 0.577 5.876 5.134 98 1HB ASN 14 2HB ASN 14 0.965 3.097 4.508 99 2HB ASN 14 1HB ASN 14 1.565 4.061 3.157 100 1HD2 ASN 14 2HD2 ASN 14 4.381 5.219 4.923 101 2HD2 ASN 14 1HD2 ASN 14 3.545 5.147 3.448 102 H SER 15 H SER 15 1.623 5.641 2.372 103 HA SER 15 HA SER 15 -0.437 5.860 0.448 104 1HB SER 15 2HB SER 15 -0.502 8.379 0.265 105 2HB SER 15 1HB SER 15 -1.284 7.726 1.699 106 HG SER 15 HG SER 15 0.752 9.439 1.533 107 H PHE 16 H PHE 16 0.461 7.838 -1.213 108 HA PHE 16 HA PHE 16 3.279 8.085 -1.434 109 1HB PHE 16 2HB PHE 16 3.488 5.749 -1.787 110 2HB PHE 16 1HB PHE 16 2.036 5.686 -2.786 111 HD1 PHE 16 HD1 PHE 16 5.494 7.105 -2.675 112 HD2 PHE 16 HD2 PHE 16 2.177 5.905 -5.122 113 HE1 PHE 16 HE1 PHE 16 6.870 7.449 -4.710 114 HE2 PHE 16 HE2 PHE 16 3.549 6.252 -7.155 115 HZ PHE 16 HZ PHE 16 5.899 7.021 -6.952 116 H THR 17 H THR 17 3.699 9.557 -3.126 117 HA THR 17 HA THR 17 1.305 10.378 -4.675 118 HB THR 17 HB THR 17 2.070 12.443 -4.231 119 HG1 THR 17 HG1 THR 17 3.740 13.168 -5.538 120 1HG2 THR 17 2HG2 THR 17 4.700 11.153 -3.447 121 2HG2 THR 17 1HG2 THR 17 4.286 12.846 -3.176 122 3HG2 THR 17 3HG2 THR 17 3.379 11.575 -2.357 123 H ASN 18 H ASN 18 1.593 10.855 -7.019 124 HA ASN 18 HA ASN 18 2.400 10.293 -9.173 125 1HB ASN 18 2HB ASN 18 4.608 8.685 -7.890 126 2HB ASN 18 1HB ASN 18 4.600 9.488 -9.461 127 1HD2 ASN 18 2HD2 ASN 18 5.273 12.743 -8.070 128 2HD2 ASN 18 1HD2 ASN 18 4.486 11.972 -9.360 129 H VAL 19 H VAL 19 0.987 8.539 -6.946 130 HA VAL 19 HA VAL 19 1.276 5.817 -7.376 131 HB VAL 19 HB VAL 19 -1.296 7.397 -7.079 132 1HG1 VAL 19 2HG1 VAL 19 -0.697 4.454 -6.647 133 2HG1 VAL 19 1HG1 VAL 19 -2.187 5.258 -6.155 134 3HG1 VAL 19 3HG1 VAL 19 -1.777 5.136 -7.863 135 1HG2 VAL 19 2HG2 VAL 19 0.830 7.231 -5.346 136 2HG2 VAL 19 1HG2 VAL 19 -0.838 7.517 -4.853 137 3HG2 VAL 19 3HG2 VAL 19 -0.173 5.884 -4.810 138 H TRP 20 H TRP 20 -0.200 4.364 -8.680 139 HA TRP 20 HA TRP 20 -1.048 5.536 -11.271 140 1HB TRP 20 2HB TRP 20 0.466 4.392 -12.555 141 2HB TRP 20 1HB TRP 20 1.415 4.330 -11.073 142 HD1 TRP 20 HD1 TRP 20 -0.810 2.207 -13.315 143 HE1 TRP 20 HE1 TRP 20 -0.577 -0.267 -12.649 144 HE3 TRP 20 HE3 TRP 20 2.026 2.697 -9.094 145 HZ2 TRP 20 HZ2 TRP 20 0.667 -1.838 -10.605 146 HZ3 TRP 20 HZ3 TRP 20 2.723 0.693 -7.811 147 HH2 TRP 20 HH2 TRP 20 2.048 -1.572 -8.561 148 H LYS 21 H LYS 21 -2.039 3.495 -12.585 149 HA LYS 21 HA LYS 21 -3.536 1.775 -10.660 150 1HB LYS 21 2HB LYS 21 -5.003 3.661 -11.396 151 2HB LYS 21 1HB LYS 21 -4.770 3.144 -13.070 152 1HG LYS 21 2HG LYS 21 -5.500 0.900 -11.380 153 2HG LYS 21 1HG LYS 21 -6.711 2.182 -11.285 154 1HD LYS 21 2HD LYS 21 -7.027 2.170 -13.666 155 2HD LYS 21 1HD LYS 21 -5.619 1.136 -13.909 156 1HE LYS 21 2HE LYS 21 -7.709 -0.168 -14.069 157 2HE LYS 21 1HE LYS 21 -6.743 -0.688 -12.688 158 1HZ LYS 21 2HZ LYS 21 -8.101 0.856 -11.314 159 2HZ LYS 21 1HZ LYS 21 -9.115 1.091 -12.656 160 3HZ LYS 21 3HZ LYS 21 -8.973 -0.450 -11.961 161 H ASP 22 H ASP 22 -3.303 -0.348 -11.253 162 HA ASP 22 HA ASP 22 -2.408 -0.876 -14.039 163 1HB ASP 22 2HB ASP 22 -1.368 -1.724 -11.601 164 2HB ASP 22 1HB ASP 22 -2.262 -3.127 -12.188 165 H ASP 23 H ASP 23 -3.776 -1.876 -15.383 166 HA ASP 23 HA ASP 23 -6.351 -2.885 -14.390 167 1HB ASP 23 2HB ASP 23 -5.576 -1.733 -16.767 168 2HB ASP 23 1HB ASP 23 -5.594 -3.443 -17.194 169 H LYS 24 H LYS 24 -3.195 -4.000 -15.077 170 HA LYS 24 HA LYS 24 -3.802 -6.777 -15.644 171 1HB LYS 24 2HB LYS 24 -1.333 -5.285 -14.715 172 2HB LYS 24 1HB LYS 24 -1.340 -7.032 -14.980 173 1HG LYS 24 2HG LYS 24 -2.481 -5.415 -17.183 174 2HG LYS 24 1HG LYS 24 -0.747 -5.220 -16.924 175 1HD LYS 24 2HD LYS 24 -0.437 -7.655 -17.055 176 2HD LYS 24 1HD LYS 24 -2.174 -7.872 -17.279 177 1HE LYS 24 2HE LYS 24 -1.221 -5.932 -19.173 178 2HE LYS 24 1HE LYS 24 -0.221 -7.381 -19.280 179 1HZ LYS 24 1HZ LYS 24 -2.952 -8.073 -19.000 180 2HZ LYS 24 3HZ LYS 24 -2.753 -7.022 -20.317 181 3HZ LYS 24 2HZ LYS 24 -1.869 -8.470 -20.247 182 H THR 25 H THR 25 -2.547 -5.019 -12.817 183 HA THR 25 HA THR 25 -2.971 -7.284 -11.033 184 HB THR 25 HB THR 25 -2.090 -5.883 -9.331 185 HG1 THR 25 HG1 THR 25 -1.975 -3.507 -10.001 186 1HG2 THR 25 1HG2 THR 25 -0.793 -6.101 -11.755 187 2HG2 THR 25 3HG2 THR 25 -0.715 -4.369 -11.430 188 3HG2 THR 25 2HG2 THR 25 -0.065 -5.517 -10.260 189 H LEU 26 H LEU 26 -4.799 -4.631 -12.247 190 HA LEU 26 HA LEU 26 -7.052 -4.063 -11.986 191 1HB LEU 26 2HB LEU 26 -6.909 -6.849 -10.914 192 2HB LEU 26 1HB LEU 26 -8.384 -5.921 -10.641 193 HG LEU 26 HG LEU 26 -7.081 -6.458 -13.327 194 1HD1 LEU 26 1HD1 LEU 26 -8.669 -8.128 -11.847 195 2HD1 LEU 26 3HD1 LEU 26 -9.874 -7.251 -12.788 196 3HD1 LEU 26 2HD1 LEU 26 -8.589 -8.139 -13.609 197 1HD2 LEU 26 2HD2 LEU 26 -9.299 -4.648 -12.426 198 2HD2 LEU 26 1HD2 LEU 26 -8.061 -4.369 -13.649 199 3HD2 LEU 26 3HD2 LEU 26 -9.429 -5.426 -14.003 200 H ASP 27 H ASP 27 -6.030 -2.382 -10.475 201 HA ASP 27 HA ASP 27 -7.631 -1.834 -8.283 202 1HB ASP 27 2HB ASP 27 -5.851 -4.024 -7.695 203 2HB ASP 27 1HB ASP 27 -5.460 -2.653 -6.660 204 H ARG 28 H ARG 28 -6.497 -0.271 -6.646 205 HA ARG 28 HA ARG 28 -4.747 1.489 -8.224 206 1HB ARG 28 2HB ARG 28 -6.581 2.265 -6.590 207 2HB ARG 28 1HB ARG 28 -5.471 1.803 -5.299 208 1HG ARG 28 2HG ARG 28 -4.585 3.873 -5.512 209 2HG ARG 28 1HG ARG 28 -3.869 3.289 -7.015 210 1HD ARG 28 2HD ARG 28 -5.181 5.414 -7.298 211 2HD ARG 28 1HD ARG 28 -5.775 4.086 -8.295 212 HE ARG 28 HE ARG 28 -7.245 3.972 -5.902 213 1HH1 ARG 28 2HH1 ARG 28 -7.433 6.774 -5.613 214 2HH1 ARG 28 1HH1 ARG 28 -8.630 7.280 -6.758 215 1HH2 ARG 28 1HH2 ARG 28 -8.460 4.365 -8.627 216 2HH2 ARG 28 2HH2 ARG 28 -9.211 5.917 -8.464 217 H TYR 29 H TYR 29 -2.490 1.825 -7.733 218 HA TYR 29 HA TYR 29 -1.392 0.216 -5.503 219 1HB TYR 29 2HB TYR 29 -0.696 -0.222 -8.411 220 2HB TYR 29 1HB TYR 29 0.295 -0.812 -7.076 221 HD1 TYR 29 HD2 TYR 29 -0.582 -2.505 -5.502 222 HD2 TYR 29 HD1 TYR 29 -2.836 -1.203 -8.914 223 HE1 TYR 29 HE2 TYR 29 -2.094 -4.455 -5.246 224 HE2 TYR 29 HE1 TYR 29 -4.349 -3.149 -8.660 225 HH TYR 29 HH TYR 29 -3.699 -5.680 -6.282 226 H ALA 30 H ALA 30 0.489 0.989 -4.696 227 HA ALA 30 HA ALA 30 1.705 3.347 -6.073 228 1HB ALA 30 3HB ALA 30 0.998 2.846 -3.206 229 2HB ALA 30 2HB ALA 30 2.454 3.782 -3.546 230 3HB ALA 30 1HB ALA 30 0.890 4.339 -4.139 231 H ASN 31 H ASN 31 3.574 2.583 -6.953 232 HA ASN 31 HA ASN 31 4.949 0.253 -5.954 233 1HB ASN 31 2HB ASN 31 5.032 1.058 -8.335 234 2HB ASN 31 1HB ASN 31 6.042 2.400 -7.793 235 1HD2 ASN 31 2HD2 ASN 31 8.114 -0.658 -8.829 236 2HD2 ASN 31 1HD2 ASN 31 6.793 0.085 -9.591 237 H TYR 32 H TYR 32 5.283 0.845 -3.697 238 HA TYR 32 HA TYR 32 6.822 3.142 -2.919 239 1HB TYR 32 2HB TYR 32 5.357 1.487 -1.486 240 2HB TYR 32 1HB TYR 32 6.860 0.573 -1.356 241 HD1 TYR 32 HD1 TYR 32 5.947 4.223 -1.310 242 HD2 TYR 32 HD2 TYR 32 7.998 0.981 0.621 243 HE1 TYR 32 HE1 TYR 32 6.750 5.779 0.447 244 HE2 TYR 32 HE2 TYR 32 8.801 2.536 2.377 245 HH TYR 32 HH TYR 32 8.271 6.011 2.140 246 H GLU 33 H GLU 33 9.097 3.047 -2.116 247 HA GLU 33 HA GLU 33 10.799 1.708 -4.030 248 1HB GLU 33 2HB GLU 33 11.417 3.177 -1.450 249 2HB GLU 33 1HB GLU 33 12.656 2.560 -2.542 250 1HG GLU 33 2HG GLU 33 12.453 4.396 -3.820 251 2HG GLU 33 1HG GLU 33 10.756 4.008 -4.106 252 H GLY 34 H GLY 34 10.215 -0.534 -3.739 253 1HA GLY 34 2HA GLY 34 11.237 -2.587 -2.942 254 2HA GLY 34 1HA GLY 34 11.647 -1.760 -1.440 255 H CYS 35 H CYS 35 8.454 -1.266 -2.708 256 HA CYS 35 HA CYS 35 7.218 -3.495 -1.325 257 1HB CYS 35 2HB CYS 35 7.750 -1.029 0.149 258 2HB CYS 35 1HB CYS 35 6.031 -1.422 0.115 259 H LEU 36 H LEU 36 5.189 -3.798 -2.169 260 HA LEU 36 HA LEU 36 4.101 -1.579 -3.846 261 1HB LEU 36 2HB LEU 36 4.685 -3.705 -5.005 262 2HB LEU 36 1HB LEU 36 3.517 -4.543 -4.008 263 HG LEU 36 HG LEU 36 2.909 -3.565 -6.446 264 1HD1 LEU 36 3HD1 LEU 36 1.541 -4.919 -4.751 265 2HD1 LEU 36 2HD1 LEU 36 0.908 -3.369 -4.196 266 3HD1 LEU 36 1HD1 LEU 36 0.641 -3.886 -5.861 267 1HD2 LEU 36 3HD2 LEU 36 3.393 -1.203 -5.502 268 2HD2 LEU 36 2HD2 LEU 36 1.891 -1.431 -6.390 269 3HD2 LEU 36 1HD2 LEU 36 1.872 -1.387 -4.629 270 H TRP 37 H TRP 37 2.436 -0.543 -2.888 271 HA TRP 37 HA TRP 37 0.654 -2.082 -1.049 272 1HB TRP 37 2HB TRP 37 0.677 0.918 -1.489 273 2HB TRP 37 1HB TRP 37 -0.051 0.029 -0.163 274 HD1 TRP 37 HD1 TRP 37 3.501 0.426 -1.645 275 HE1 TRP 37 HE1 TRP 37 5.160 0.562 0.323 276 HE3 TRP 37 HE3 TRP 37 0.273 -0.159 2.279 277 HZ2 TRP 37 HZ2 TRP 37 5.117 0.444 3.186 278 HZ3 TRP 37 HZ3 TRP 37 1.101 -0.147 4.600 279 HH2 TRP 37 HH2 TRP 37 3.523 0.157 5.061 280 H ASN 38 H ASN 38 -1.768 -1.228 -1.268 281 HA ASN 38 HA ASN 38 -2.453 -0.534 -4.059 282 1HB ASN 38 2HB ASN 38 -3.716 -2.450 -4.547 283 2HB ASN 38 1HB ASN 38 -2.282 -3.108 -3.770 284 1HD2 ASN 38 2HD2 ASN 38 -5.923 -3.482 -1.987 285 2HD2 ASN 38 1HD2 ASN 38 -5.738 -2.621 -3.439 286 H ALA 39 H ALA 39 -4.264 0.709 -4.139 287 HA ALA 39 HA ALA 39 -5.712 1.159 -1.586 288 1HB ALA 39 1HB ALA 39 -4.695 2.973 -3.327 289 2HB ALA 39 3HB ALA 39 -6.332 2.820 -3.966 290 3HB ALA 39 2HB ALA 39 -6.081 3.305 -2.288 291 H THR 40 H THR 40 -7.826 0.634 -1.362 292 HA THR 40 HA THR 40 -9.060 -1.216 -3.164 293 HB THR 40 HB THR 40 -9.968 -1.472 -1.059 294 HG1 THR 40 HG1 THR 40 -11.610 -0.791 -2.719 295 1HG2 THR 40 3HG2 THR 40 -9.555 1.483 -0.858 296 2HG2 THR 40 2HG2 THR 40 -10.754 0.736 0.198 297 3HG2 THR 40 1HG2 THR 40 -9.071 0.206 0.260 298 H GLY 41 H GLY 41 -10.831 1.711 -2.246 299 1HA GLY 41 2HA GLY 41 -10.942 2.556 -5.085 300 2HA GLY 41 1HA GLY 41 -12.468 2.113 -4.320 301 H VAL 42 H VAL 42 -12.329 3.189 -1.838 302 HA VAL 42 HA VAL 42 -12.632 6.024 -2.379 303 HB VAL 42 HB VAL 42 -12.609 4.537 0.264 304 1HG1 VAL 42 3HG1 VAL 42 -13.614 7.292 -0.519 305 2HG1 VAL 42 2HG1 VAL 42 -13.891 6.530 1.047 306 3HG1 VAL 42 1HG1 VAL 42 -12.251 6.944 0.545 307 1HG2 VAL 42 3HG2 VAL 42 -14.383 4.234 -1.820 308 2HG2 VAL 42 2HG2 VAL 42 -14.773 3.955 -0.123 309 3HG2 VAL 42 1HG2 VAL 42 -15.150 5.506 -0.871 310 H VAL 43 H VAL 43 -10.753 7.137 -2.781 311 HA VAL 43 HA VAL 43 -8.728 7.158 -0.611 312 HB VAL 43 HB VAL 43 -7.827 7.051 -3.484 313 1HG1 VAL 43 3HG1 VAL 43 -6.613 6.722 -0.752 314 2HG1 VAL 43 2HG1 VAL 43 -5.847 5.957 -2.144 315 3HG1 VAL 43 1HG1 VAL 43 -6.056 7.708 -2.104 316 1HG2 VAL 43 2HG2 VAL 43 -9.206 5.023 -3.020 317 2HG2 VAL 43 1HG2 VAL 43 -7.501 4.634 -3.245 318 3HG2 VAL 43 3HG2 VAL 43 -8.187 4.680 -1.621 319 H VAL 44 H VAL 44 -7.127 9.039 -1.049 320 HA VAL 44 HA VAL 44 -8.710 11.332 -2.123 321 HB VAL 44 HB VAL 44 -7.901 11.169 0.342 322 1HG1 VAL 44 2HG1 VAL 44 -5.548 10.573 -0.360 323 2HG1 VAL 44 1HG1 VAL 44 -5.364 12.249 -0.875 324 3HG1 VAL 44 3HG1 VAL 44 -5.679 11.876 0.820 325 1HG2 VAL 44 3HG2 VAL 44 -8.789 13.198 -0.998 326 2HG2 VAL 44 2HG2 VAL 44 -7.886 13.526 0.482 327 3HG2 VAL 44 1HG2 VAL 44 -7.100 13.697 -1.088 328 H CYS 45 H CYS 45 -8.066 11.654 -4.226 329 HA CYS 45 HA CYS 45 -5.132 11.517 -4.779 330 1HB CYS 45 2HB CYS 45 -7.539 10.713 -6.308 331 2HB CYS 45 1HB CYS 45 -6.261 11.472 -7.249 332 H THR 46 H THR 46 -4.120 13.242 -5.772 333 HA THR 46 HA THR 46 -5.766 15.591 -6.546 334 HB THR 46 HB THR 46 -4.955 15.857 -4.173 335 HG1 THR 46 HG1 THR 46 -4.054 17.928 -4.589 336 1HG2 THR 46 2HG2 THR 46 -2.270 15.728 -5.566 337 2HG2 THR 46 1HG2 THR 46 -2.500 16.325 -3.921 338 3HG2 THR 46 3HG2 THR 46 -2.867 14.643 -4.308 339 H GLY 47 H GLY 47 -4.386 17.201 -7.781 340 1HA GLY 47 2HA GLY 47 -2.982 17.642 -9.610 341 2HA GLY 47 1HA GLY 47 -1.806 16.606 -8.799 342 H ASP 48 H ASP 48 -4.721 16.451 -10.855 343 HA ASP 48 HA ASP 48 -5.289 14.912 -12.541 344 1HB ASP 48 2HB ASP 48 -2.312 14.684 -12.376 345 2HB ASP 48 1HB ASP 48 -3.194 13.440 -13.261 346 H GLU 49 H GLU 49 -4.812 14.248 -9.504 347 HA GLU 49 HA GLU 49 -5.263 12.448 -8.136 348 1HB GLU 49 2HB GLU 49 -6.233 11.297 -10.761 349 2HB GLU 49 1HB GLU 49 -6.395 10.448 -9.222 350 1HG GLU 49 2HG GLU 49 -8.455 11.627 -9.551 351 2HG GLU 49 1HG GLU 49 -7.556 12.536 -8.337 352 H THR 50 H THR 50 -2.742 12.639 -10.029 353 HA THR 50 HA THR 50 -1.797 9.913 -10.212 354 HB THR 50 HB THR 50 0.495 11.350 -10.190 355 HG1 THR 50 HG1 THR 50 -0.776 13.242 -9.657 356 1HG2 THR 50 3HG2 THR 50 -1.536 11.217 -12.435 357 2HG2 THR 50 2HG2 THR 50 0.170 11.613 -12.645 358 3HG2 THR 50 1HG2 THR 50 -0.299 10.014 -12.069 359 H GLN 51 H GLN 51 -1.835 12.354 -7.703 360 HA GLN 51 HA GLN 51 -0.085 10.614 -6.013 361 1HB GLN 51 2HB GLN 51 -1.032 13.439 -5.446 362 2HB GLN 51 1HB GLN 51 0.240 12.552 -4.604 363 1HG GLN 51 2HG GLN 51 1.773 13.184 -6.127 364 2HG GLN 51 1HG GLN 51 0.764 12.603 -7.452 365 1HE2 GLN 51 2HE2 GLN 51 0.543 16.560 -6.363 366 2HE2 GLN 51 1HE2 GLN 51 1.183 15.432 -5.270 367 H CYS 52 H CYS 52 -0.960 9.758 -4.049 368 HA CYS 52 HA CYS 52 -3.684 10.618 -3.344 369 1HB CYS 52 2HB CYS 52 -3.252 8.288 -4.902 370 2HB CYS 52 1HB CYS 52 -3.695 7.752 -3.285 371 H TYR 53 H TYR 53 -4.461 9.475 -1.333 372 HA TYR 53 HA TYR 53 -2.385 8.271 0.341 373 1HB TYR 53 2HB TYR 53 -1.814 10.385 1.108 374 2HB TYR 53 1HB TYR 53 -3.412 11.046 0.777 375 HD1 TYR 53 HD1 TYR 53 -1.518 8.820 3.116 376 HD2 TYR 53 HD2 TYR 53 -5.084 11.126 2.461 377 HE1 TYR 53 HE1 TYR 53 -2.176 8.468 5.486 378 HE2 TYR 53 HE2 TYR 53 -5.734 10.786 4.828 379 HH TYR 53 HH TYR 53 -5.196 9.871 6.770 380 H GLY 54 H GLY 54 -3.296 7.226 2.231 381 1HA GLY 54 2HA GLY 54 -5.685 7.182 3.414 382 2HA GLY 54 1HA GLY 54 -6.162 6.579 1.825 383 H THR 55 H THR 55 -6.362 4.402 1.887 384 HA THR 55 HA THR 55 -4.399 2.869 3.555 385 HB THR 55 HB THR 55 -6.187 1.015 3.320 386 HG1 THR 55 HG1 THR 55 -7.226 2.612 1.672 387 1HG2 THR 55 3HG2 THR 55 -5.750 2.879 5.224 388 2HG2 THR 55 2HG2 THR 55 -7.415 3.273 4.801 389 3HG2 THR 55 1HG2 THR 55 -7.005 1.648 5.351 390 H TRP 56 H TRP 56 -2.976 1.744 2.448 391 HA TRP 56 HA TRP 56 -3.569 0.878 -0.345 392 1HB TRP 56 2HB TRP 56 -0.908 1.567 0.880 393 2HB TRP 56 1HB TRP 56 -1.234 1.240 -0.825 394 HD1 TRP 56 HD1 TRP 56 -2.321 3.755 1.899 395 HE1 TRP 56 HE1 TRP 56 -2.751 6.024 0.755 396 HE3 TRP 56 HE3 TRP 56 -1.511 2.447 -2.962 397 HZ2 TRP 56 HZ2 TRP 56 -2.745 7.128 -1.873 398 HZ3 TRP 56 HZ3 TRP 56 -1.730 4.124 -4.770 399 HH2 TRP 56 HH2 TRP 56 -2.348 6.467 -4.234 400 H VAL 57 H VAL 57 -4.343 -1.162 0.956 401 HA VAL 57 HA VAL 57 -2.826 -2.703 2.659 402 HB VAL 57 HB VAL 57 -4.505 -3.597 0.307 403 1HG1 VAL 57 3HG1 VAL 57 -2.806 -5.338 0.800 404 2HG1 VAL 57 2HG1 VAL 57 -3.302 -5.325 2.492 405 3HG1 VAL 57 1HG1 VAL 57 -4.429 -5.867 1.249 406 1HG2 VAL 57 2HG2 VAL 57 -4.914 -2.925 3.145 407 2HG2 VAL 57 1HG2 VAL 57 -6.075 -2.948 1.818 408 3HG2 VAL 57 3HG2 VAL 57 -5.663 -4.444 2.657 409 HA PRO 58 HA PRO 58 0.906 -3.521 0.418 410 1HB PRO 58 2HB PRO 58 2.023 -5.163 2.339 411 2HB PRO 58 1HB PRO 58 2.004 -3.394 2.443 412 1HG PRO 58 2HG PRO 58 0.385 -5.377 3.955 413 2HG PRO 58 1HG PRO 58 0.807 -3.706 4.384 414 1HD PRO 58 2HD PRO 58 -1.693 -4.610 3.353 415 2HD PRO 58 1HD PRO 58 -1.181 -2.923 3.561 416 H ILE 59 H ILE 59 1.061 -4.970 -1.238 417 HA ILE 59 HA ILE 59 0.005 -7.724 -0.803 418 HB ILE 59 HB ILE 59 0.172 -7.487 -3.523 419 1HG1 ILE 59 2HG1 ILE 59 0.766 -5.003 -3.063 420 2HG1 ILE 59 1HG1 ILE 59 -0.503 -5.332 -4.244 421 1HG2 ILE 59 3HG2 ILE 59 -2.036 -6.988 -1.543 422 2HG2 ILE 59 2HG2 ILE 59 -2.349 -6.851 -3.273 423 3HG2 ILE 59 1HG2 ILE 59 -1.784 -8.378 -2.598 424 1HD1 ILE 59 1HD1 ILE 59 -1.246 -4.965 -1.358 425 2HD1 ILE 59 3HD1 ILE 59 -0.923 -3.549 -2.359 426 3HD1 ILE 59 2HD1 ILE 59 -2.204 -4.675 -2.806 427 H GLY 60 H GLY 60 2.680 -5.880 -2.378 428 1HA GLY 60 2HA GLY 60 4.333 -8.303 -1.960 429 2HA GLY 60 1HA GLY 60 4.114 -7.815 -3.630 430 H LEU 61 H LEU 61 6.070 -7.004 -4.231 431 HA LEU 61 HA LEU 61 7.465 -5.196 -2.327 432 1HB LEU 61 2HB LEU 61 8.661 -6.340 -4.842 433 2HB LEU 61 1HB LEU 61 9.485 -5.771 -3.390 434 HG LEU 61 HG LEU 61 7.757 -8.253 -3.634 435 1HD1 LEU 61 1HD1 LEU 61 10.067 -8.416 -4.543 436 2HD1 LEU 61 3HD1 LEU 61 10.697 -7.888 -2.982 437 3HD1 LEU 61 2HD1 LEU 61 9.843 -9.427 -3.113 438 1HD2 LEU 61 1HD2 LEU 61 7.533 -6.964 -1.452 439 2HD2 LEU 61 3HD2 LEU 61 8.140 -8.612 -1.288 440 3HD2 LEU 61 2HD2 LEU 61 9.254 -7.251 -1.199 441 H ALA 62 H ALA 62 6.346 -5.271 -5.753 442 HA ALA 62 HA ALA 62 6.564 -2.308 -5.650 443 1HB ALA 62 1HB ALA 62 7.993 -4.101 -7.583 444 2HB ALA 62 3HB ALA 62 7.558 -2.453 -8.038 445 3HB ALA 62 2HB ALA 62 8.614 -2.736 -6.652 446 H ILE 63 H ILE 63 5.706 -4.819 -8.151 447 HA ILE 63 HA ILE 63 3.136 -3.310 -8.387 448 HB ILE 63 HB ILE 63 4.759 -2.748 -10.220 449 1HG1 ILE 63 2HG1 ILE 63 2.581 -4.127 -11.648 450 2HG1 ILE 63 1HG1 ILE 63 2.035 -3.151 -10.284 451 1HG2 ILE 63 3HG2 ILE 63 4.347 -5.694 -10.782 452 2HG2 ILE 63 2HG2 ILE 63 4.880 -4.561 -12.026 453 3HG2 ILE 63 1HG2 ILE 63 5.872 -4.828 -10.592 454 1HD1 ILE 63 2HD1 ILE 63 3.489 -1.271 -11.214 455 2HD1 ILE 63 1HD1 ILE 63 3.652 -2.248 -12.673 456 3HD1 ILE 63 3HD1 ILE 63 2.062 -1.679 -12.168 457 HA PRO 64 HA PRO 64 2.486 -8.026 -8.848 458 1HB PRO 64 2HB PRO 64 2.373 -8.952 -6.268 459 2HB PRO 64 1HB PRO 64 3.848 -9.004 -7.250 460 1HG PRO 64 2HG PRO 64 3.133 -7.143 -5.024 461 2HG PRO 64 1HG PRO 64 4.729 -7.722 -5.532 462 1HD PRO 64 2HD PRO 64 3.665 -5.202 -6.128 463 2HD PRO 64 1HD PRO 64 5.019 -5.974 -6.970 464 H GLU 65 H GLU 65 0.307 -8.603 -8.876 465 HA GLU 65 HA GLU 65 -1.623 -6.741 -7.758 466 1HB GLU 65 2HB GLU 65 -3.257 -7.964 -8.941 467 2HB GLU 65 1HB GLU 65 -1.808 -8.178 -9.924 468 1HG GLU 65 2HG GLU 65 -1.467 -10.287 -8.333 469 2HG GLU 65 1HG GLU 65 -3.218 -10.152 -8.176 470 H ASN 66 H ASN 66 -3.682 -8.319 -6.807 471 HA ASN 66 HA ASN 66 -2.525 -9.255 -4.232 472 1HB ASN 66 2HB ASN 66 -4.622 -7.602 -4.668 473 2HB ASN 66 1HB ASN 66 -5.472 -9.148 -4.621 474 1HD2 ASN 66 2HD2 ASN 66 -4.550 -9.787 -1.172 475 2HD2 ASN 66 1HD2 ASN 66 -4.801 -10.594 -2.646 476 H ALA 67 H ALA 67 -2.297 -10.893 -6.625 477 HA ALA 67 HA ALA 67 -3.379 -13.374 -5.544 478 1HB ALA 67 1HB ALA 67 -4.549 -12.127 -8.032 479 2HB ALA 67 3HB ALA 67 -4.576 -13.873 -7.782 480 3HB ALA 67 2HB ALA 67 -5.398 -12.806 -6.643 481 H ALA 68 H ALA 68 -2.419 -15.221 -6.579 482 HA ALA 68 HA ALA 68 -0.610 -16.312 -7.607 483 1HB ALA 68 2HB ALA 68 -1.692 -14.399 -9.614 484 2HB ALA 68 1HB ALA 68 -0.107 -15.092 -9.959 485 3HB ALA 68 3HB ALA 68 -1.499 -16.148 -9.718 486 H ALA 69 H ALA 69 0.285 -13.289 -9.156 487 HA ALA 69 HA ALA 69 2.977 -13.405 -8.224 488 1HB ALA 69 2HB ALA 69 1.293 -11.214 -9.433 489 2HB ALA 69 1HB ALA 69 2.943 -10.894 -8.900 490 3HB ALA 69 3HB ALA 69 2.640 -12.094 -10.156 491 H HIS 70 HN HIS 70 2.888 -13.680 -5.923 492 HA HIS 70 HA HIS 70 1.633 -11.560 -4.304 493 1HB HIS 70 2HB HIS 70 2.315 -14.271 -3.880 494 2HB HIS 70 1HB HIS 70 3.333 -13.332 -2.787 495 HD1 HIS 70 HD1 HIS 70 1.681 -14.474 -0.924 496 HD2 HIS 70 HD2 HIS 70 -0.009 -11.559 -3.378 497 HE1 HIS 70 HE1 HIS 70 -0.441 -13.709 0.228 No H/Q in entry = 497 Start of MODEL 12 1 1H GLU 1 2H GLU 1 12.924 -7.799 -0.608 2 2H GLU 1 1H GLU 1 12.529 -6.513 -1.645 3 3H GLU 1 3H GLU 1 13.687 -6.293 -0.425 4 HA GLU 1 HA GLU 1 12.148 -5.722 1.044 5 1HB GLU 1 2HB GLU 1 11.119 -4.741 -1.033 6 2HB GLU 1 1HB GLU 1 10.145 -6.207 -1.180 7 1HG GLU 1 2HG GLU 1 8.675 -4.908 0.035 8 2HG GLU 1 1HG GLU 1 9.575 -5.639 1.365 9 H THR 2 H THR 2 11.128 -8.566 -0.823 10 HA THR 2 HA THR 2 10.343 -10.637 -0.007 11 HB THR 2 HB THR 2 10.399 -9.537 2.795 12 HG1 THR 2 HG1 THR 2 12.559 -9.847 2.876 13 1HG2 THR 2 2HG2 THR 2 10.735 -12.232 1.479 14 2HG2 THR 2 1HG2 THR 2 11.223 -11.947 3.151 15 3HG2 THR 2 3HG2 THR 2 9.537 -11.741 2.677 16 H VAL 3 H VAL 3 8.200 -11.320 0.176 17 HA VAL 3 HA VAL 3 6.192 -9.209 0.324 18 HB VAL 3 HB VAL 3 5.459 -12.115 0.433 19 1HG1 VAL 3 3HG1 VAL 3 3.850 -10.110 0.278 20 2HG1 VAL 3 2HG1 VAL 3 4.437 -9.920 -1.374 21 3HG1 VAL 3 1HG1 VAL 3 3.622 -11.408 -0.895 22 1HG2 VAL 3 3HG2 VAL 3 6.865 -10.701 -1.834 23 2HG2 VAL 3 2HG2 VAL 3 7.208 -12.292 -1.154 24 3HG2 VAL 3 1HG2 VAL 3 5.766 -12.045 -2.139 25 H GLU 4 H GLU 4 7.417 -11.735 2.446 26 HA GLU 4 HA GLU 4 5.360 -11.720 4.402 27 1HB GLU 4 2HB GLU 4 7.232 -13.354 4.366 28 2HB GLU 4 1HB GLU 4 8.342 -12.068 4.841 29 1HG GLU 4 2HG GLU 4 7.199 -11.760 6.944 30 2HG GLU 4 1HG GLU 4 5.904 -12.855 6.456 31 H SER 5 H SER 5 8.265 -9.666 4.096 32 HA SER 5 HA SER 5 7.534 -8.113 6.466 33 1HB SER 5 2HB SER 5 9.835 -8.362 4.730 34 2HB SER 5 1HB SER 5 9.409 -6.665 4.931 35 HG SER 5 HG SER 5 10.820 -7.549 6.580 36 H CYS 6 H CYS 6 7.544 -7.557 2.934 37 HA CYS 6 HA CYS 6 6.588 -4.903 2.948 38 1HB CYS 6 2HB CYS 6 7.192 -6.463 0.937 39 2HB CYS 6 1HB CYS 6 5.490 -6.920 0.997 40 H LEU 7 H LEU 7 4.971 -7.890 3.729 41 HA LEU 7 HA LEU 7 2.337 -6.543 3.827 42 1HB LEU 7 2HB LEU 7 3.068 -9.403 4.505 43 2HB LEU 7 1HB LEU 7 1.438 -8.756 4.311 44 HG LEU 7 HG LEU 7 3.463 -8.542 2.090 45 1HD1 LEU 7 3HD1 LEU 7 1.720 -10.886 2.852 46 2HD1 LEU 7 2HD1 LEU 7 2.208 -10.612 1.179 47 3HD1 LEU 7 1HD1 LEU 7 3.430 -10.885 2.420 48 1HD2 LEU 7 2HD2 LEU 7 0.549 -8.118 2.494 49 2HD2 LEU 7 1HD2 LEU 7 1.671 -7.279 1.422 50 3HD2 LEU 7 3HD2 LEU 7 1.020 -8.853 0.960 51 H ALA 8 H ALA 8 4.921 -7.654 5.861 52 HA ALA 8 HA ALA 8 3.545 -7.596 8.387 53 1HB ALA 8 1HB ALA 8 5.996 -8.417 7.709 54 2HB ALA 8 3HB ALA 8 6.421 -6.773 8.188 55 3HB ALA 8 2HB ALA 8 5.648 -7.856 9.345 56 H LYS 9 H LYS 9 4.433 -5.236 6.140 57 HA LYS 9 HA LYS 9 5.083 -2.910 7.479 58 1HB LYS 9 2HB LYS 9 3.233 -3.493 5.151 59 2HB LYS 9 1HB LYS 9 3.636 -1.851 5.609 60 1HG LYS 9 2HG LYS 9 6.099 -2.601 5.493 61 2HG LYS 9 1HG LYS 9 5.486 -4.014 4.633 62 1HD LYS 9 2HD LYS 9 5.082 -2.831 2.744 63 2HD LYS 9 1HD LYS 9 4.390 -1.479 3.640 64 1HE LYS 9 2HE LYS 9 7.337 -2.058 3.239 65 2HE LYS 9 1HE LYS 9 6.424 -0.722 2.541 66 1HZ LYS 9 3HZ LYS 9 5.911 -0.473 5.173 67 2HZ LYS 9 2HZ LYS 9 7.520 -1.020 5.186 68 3HZ LYS 9 1HZ LYS 9 7.107 0.390 4.334 69 HA PRO 10 HA PRO 10 1.565 -1.761 9.894 70 1HB PRO 10 2HB PRO 10 1.076 0.867 9.223 71 2HB PRO 10 1HB PRO 10 2.438 0.342 10.229 72 1HG PRO 10 2HG PRO 10 2.445 1.262 7.401 73 2HG PRO 10 1HG PRO 10 3.756 1.285 8.592 74 1HD PRO 10 2HD PRO 10 3.425 -0.577 6.484 75 2HD PRO 10 1HD PRO 10 4.588 -0.711 7.819 76 H HIS 11 H HIS 11 1.260 -2.235 6.695 77 HA HIS 11 HA HIS 11 -0.518 -2.807 5.354 78 1HB HIS 11 2HB HIS 11 -1.793 -2.628 8.016 79 2HB HIS 11 1HB HIS 11 -2.872 -2.478 6.625 80 HD1 HIS 11 HD1 HIS 11 -3.891 -4.800 6.616 81 HD2 HIS 11 HD2 HIS 11 0.282 -4.909 6.698 82 HE1 HIS 11 HE1 HIS 11 -3.228 -7.215 6.243 83 H THR 12 H THR 12 -2.410 -1.964 4.370 84 HA THR 12 HA THR 12 -2.433 0.127 2.924 85 HB THR 12 HB THR 12 -4.363 -1.449 3.780 86 HG1 THR 12 HG1 THR 12 -5.679 -0.451 2.355 87 1HG2 THR 12 3HG2 THR 12 -5.049 1.253 4.929 88 2HG2 THR 12 2HG2 THR 12 -6.223 -0.042 4.700 89 3HG2 THR 12 1HG2 THR 12 -4.874 -0.260 5.814 90 H GLU 13 H GLU 13 -3.422 0.779 6.331 91 HA GLU 13 HA GLU 13 -3.803 3.503 6.136 92 1HB GLU 13 2HB GLU 13 -3.946 2.271 8.285 93 2HB GLU 13 1HB GLU 13 -2.186 2.158 8.329 94 1HG GLU 13 2HG GLU 13 -2.770 4.880 7.854 95 2HG GLU 13 1HG GLU 13 -3.877 4.360 9.128 96 H ASN 14 H ASN 14 -2.609 4.614 4.677 97 HA ASN 14 HA ASN 14 -0.240 5.905 5.272 98 1HB ASN 14 2HB ASN 14 0.244 3.119 4.621 99 2HB ASN 14 1HB ASN 14 1.013 4.165 3.428 100 1HD2 ASN 14 1HD2 ASN 14 2.337 6.055 4.448 101 2HD2 ASN 14 2HD2 ASN 14 3.195 5.705 5.871 102 H SER 15 H SER 15 1.046 5.751 2.647 103 HA SER 15 HA SER 15 -0.899 5.891 0.560 104 1HB SER 15 2HB SER 15 -0.945 8.364 0.274 105 2HB SER 15 1HB SER 15 -1.711 7.844 1.769 106 HG SER 15 HG SER 15 0.685 8.147 2.509 107 H PHE 16 H PHE 16 0.161 7.772 -1.083 108 HA PHE 16 HA PHE 16 2.987 7.940 -1.200 109 1HB PHE 16 2HB PHE 16 2.747 5.442 -1.415 110 2HB PHE 16 1HB PHE 16 1.823 5.713 -2.892 111 HD1 PHE 16 HD1 PHE 16 5.156 5.982 -1.322 112 HD2 PHE 16 HD2 PHE 16 2.866 6.508 -4.910 113 HE1 PHE 16 HE1 PHE 16 7.254 6.205 -2.627 114 HE2 PHE 16 HE2 PHE 16 4.951 6.738 -6.215 115 HZ PHE 16 HZ PHE 16 7.155 6.583 -5.078 116 H THR 17 H THR 17 3.620 8.938 -3.323 117 HA THR 17 HA THR 17 1.195 9.971 -4.708 118 HB THR 17 HB THR 17 2.142 11.933 -4.060 119 HG1 THR 17 HG1 THR 17 4.126 11.652 -5.983 120 1HG2 THR 17 2HG2 THR 17 4.703 10.345 -3.958 121 2HG2 THR 17 1HG2 THR 17 4.727 12.104 -3.841 122 3HG2 THR 17 3HG2 THR 17 3.852 11.152 -2.641 123 H ASN 18 H ASN 18 1.895 10.769 -7.088 124 HA ASN 18 HA ASN 18 2.413 9.981 -9.245 125 1HB ASN 18 2HB ASN 18 4.642 8.637 -7.681 126 2HB ASN 18 1HB ASN 18 4.549 8.681 -9.442 127 1HD2 ASN 18 2HD2 ASN 18 6.656 11.568 -8.529 128 2HD2 ASN 18 1HD2 ASN 18 6.784 9.876 -8.517 129 H VAL 19 H VAL 19 0.836 8.400 -7.097 130 HA VAL 19 HA VAL 19 1.054 5.654 -7.294 131 HB VAL 19 HB VAL 19 -1.488 7.297 -7.442 132 1HG1 VAL 19 1HG1 VAL 19 -1.793 4.898 -8.037 133 2HG1 VAL 19 3HG1 VAL 19 -1.044 4.443 -6.506 134 3HG1 VAL 19 2HG1 VAL 19 -2.578 5.310 -6.513 135 1HG2 VAL 19 1HG2 VAL 19 0.343 7.500 -5.509 136 2HG2 VAL 19 3HG2 VAL 19 -1.381 7.503 -5.139 137 3HG2 VAL 19 2HG2 VAL 19 -0.440 6.024 -4.944 138 H TRP 20 H TRP 20 0.009 4.070 -8.676 139 HA TRP 20 HA TRP 20 -0.702 5.058 -11.392 140 1HB TRP 20 2HB TRP 20 0.926 3.864 -12.459 141 2HB TRP 20 1HB TRP 20 1.745 3.909 -10.903 142 HD1 TRP 20 HD1 TRP 20 -0.209 1.600 -13.215 143 HE1 TRP 20 HE1 TRP 20 0.012 -0.834 -12.386 144 HE3 TRP 20 HE3 TRP 20 2.203 2.406 -8.785 145 HZ2 TRP 20 HZ2 TRP 20 1.111 -2.246 -10.154 146 HZ3 TRP 20 HZ3 TRP 20 2.833 0.498 -7.334 147 HH2 TRP 20 HH2 TRP 20 2.291 -1.824 -8.012 148 H LYS 21 H LYS 21 -1.472 2.816 -12.616 149 HA LYS 21 HA LYS 21 -3.186 1.301 -10.713 150 1HB LYS 21 2HB LYS 21 -4.669 3.005 -11.625 151 2HB LYS 21 1HB LYS 21 -4.136 2.636 -13.268 152 1HG LYS 21 2HG LYS 21 -5.040 0.261 -11.812 153 2HG LYS 21 1HG LYS 21 -6.309 1.474 -11.990 154 1HD LYS 21 2HD LYS 21 -4.818 1.217 -14.456 155 2HD LYS 21 1HD LYS 21 -5.423 -0.358 -13.942 156 1HE LYS 21 2HE LYS 21 -7.283 0.402 -15.077 157 2HE LYS 21 1HE LYS 21 -7.638 1.056 -13.478 158 1HZ LYS 21 1HZ LYS 21 -6.290 3.065 -14.309 159 2HZ LYS 21 3HZ LYS 21 -6.594 2.443 -15.858 160 3HZ LYS 21 2HZ LYS 21 -7.891 2.877 -14.847 161 H ASP 22 H ASP 22 -3.446 -0.876 -11.345 162 HA ASP 22 HA ASP 22 -1.951 -1.596 -13.811 163 1HB ASP 22 2HB ASP 22 -2.317 -3.814 -11.978 164 2HB ASP 22 1HB ASP 22 -0.827 -3.165 -12.650 165 H ASP 23 H ASP 23 -3.227 -2.357 -15.387 166 HA ASP 23 HA ASP 23 -5.971 -3.225 -14.827 167 1HB ASP 23 2HB ASP 23 -5.293 -1.997 -16.942 168 2HB ASP 23 1HB ASP 23 -4.407 -3.444 -17.424 169 H LYS 24 H LYS 24 -2.870 -4.535 -14.791 170 HA LYS 24 HA LYS 24 -3.619 -7.296 -15.464 171 1HB LYS 24 2HB LYS 24 -1.095 -5.899 -14.545 172 2HB LYS 24 1HB LYS 24 -1.188 -7.658 -14.701 173 1HG LYS 24 2HG LYS 24 -2.150 -7.093 -17.096 174 2HG LYS 24 1HG LYS 24 -1.320 -5.557 -16.843 175 1HD LYS 24 2HD LYS 24 0.573 -6.572 -17.525 176 2HD LYS 24 1HD LYS 24 0.523 -7.507 -16.030 177 1HE LYS 24 2HE LYS 24 -0.833 -8.286 -18.629 178 2HE LYS 24 1HE LYS 24 0.662 -8.987 -18.009 179 1HZ LYS 24 3HZ LYS 24 -0.763 -9.425 -15.917 180 2HZ LYS 24 2HZ LYS 24 -2.080 -9.248 -16.975 181 3HZ LYS 24 1HZ LYS 24 -0.918 -10.455 -17.255 182 H THR 25 H THR 25 -2.149 -5.662 -12.641 183 HA THR 25 HA THR 25 -2.713 -7.765 -10.781 184 HB THR 25 HB THR 25 -2.099 -6.247 -9.081 185 HG1 THR 25 HG1 THR 25 -3.684 -4.721 -9.456 186 1HG2 THR 25 1HG2 THR 25 -0.316 -6.513 -10.831 187 2HG2 THR 25 3HG2 THR 25 -0.866 -5.001 -11.550 188 3HG2 THR 25 2HG2 THR 25 -0.208 -5.009 -9.919 189 H LEU 26 H LEU 26 -4.485 -5.000 -11.970 190 HA LEU 26 HA LEU 26 -6.827 -4.697 -12.063 191 1HB LEU 26 2HB LEU 26 -6.562 -7.412 -11.288 192 2HB LEU 26 1HB LEU 26 -7.731 -6.683 -10.186 193 HG LEU 26 HG LEU 26 -7.825 -6.527 -13.214 194 1HD1 LEU 26 3HD1 LEU 26 -9.093 -8.310 -11.176 195 2HD1 LEU 26 2HD1 LEU 26 -10.069 -7.815 -12.559 196 3HD1 LEU 26 1HD1 LEU 26 -8.555 -8.683 -12.814 197 1HD2 LEU 26 2HD2 LEU 26 -9.635 -5.463 -11.029 198 2HD2 LEU 26 1HD2 LEU 26 -8.805 -4.538 -12.281 199 3HD2 LEU 26 3HD2 LEU 26 -10.140 -5.607 -12.713 200 H ASP 27 H ASP 27 -5.719 -2.889 -10.605 201 HA ASP 27 HA ASP 27 -7.510 -2.097 -8.614 202 1HB ASP 27 2HB ASP 27 -5.926 -4.285 -7.720 203 2HB ASP 27 1HB ASP 27 -5.404 -2.858 -6.826 204 H ARG 28 H ARG 28 -6.410 -0.468 -6.970 205 HA ARG 28 HA ARG 28 -4.521 1.145 -8.574 206 1HB ARG 28 2HB ARG 28 -6.533 2.040 -7.168 207 2HB ARG 28 1HB ARG 28 -5.453 1.833 -5.787 208 1HG ARG 28 2HG ARG 28 -4.433 3.772 -6.295 209 2HG ARG 28 1HG ARG 28 -3.970 3.111 -7.864 210 1HD ARG 28 2HD ARG 28 -5.323 5.216 -8.034 211 2HD ARG 28 1HD ARG 28 -6.063 3.842 -8.852 212 HE ARG 28 HE ARG 28 -7.166 3.782 -6.307 213 1HH1 ARG 28 1HH2 ARG 28 -6.434 6.712 -7.718 214 2HH1 ARG 28 2HH2 ARG 28 -8.066 7.281 -7.828 215 1HH2 ARG 28 2HH1 ARG 28 -9.464 4.238 -6.926 216 2HH2 ARG 28 1HH1 ARG 28 -9.783 5.879 -7.379 217 H TYR 29 H TYR 29 -2.387 1.746 -7.720 218 HA TYR 29 HA TYR 29 -1.483 0.309 -5.313 219 1HB TYR 29 2HB TYR 29 -0.362 -0.290 -8.061 220 2HB TYR 29 1HB TYR 29 0.357 -0.830 -6.544 221 HD1 TYR 29 HD1 TYR 29 -2.535 -1.152 -8.807 222 HD2 TYR 29 HD2 TYR 29 -0.693 -2.553 -5.191 223 HE1 TYR 29 HE1 TYR 29 -4.114 -3.061 -8.737 224 HE2 TYR 29 HE2 TYR 29 -2.269 -4.457 -5.123 225 HH TYR 29 HH TYR 29 -4.760 -4.793 -6.132 226 H ALA 30 H ALA 30 0.524 1.048 -4.522 227 HA ALA 30 HA ALA 30 1.610 3.477 -5.883 228 1HB ALA 30 3HB ALA 30 0.650 3.066 -3.116 229 2HB ALA 30 2HB ALA 30 2.208 3.884 -3.245 230 3HB ALA 30 1HB ALA 30 0.788 4.556 -4.047 231 H ASN 31 H ASN 31 3.608 2.907 -6.608 232 HA ASN 31 HA ASN 31 5.098 0.686 -5.538 233 1HB ASN 31 2HB ASN 31 5.210 1.854 -7.895 234 2HB ASN 31 1HB ASN 31 6.420 2.871 -7.111 235 1HD2 ASN 31 2HD2 ASN 31 7.800 -0.469 -8.525 236 2HD2 ASN 31 1HD2 ASN 31 6.597 0.536 -9.179 237 H TYR 32 H TYR 32 5.774 0.849 -3.432 238 HA TYR 32 HA TYR 32 6.968 3.391 -2.496 239 1HB TYR 32 2HB TYR 32 5.370 1.622 -1.201 240 2HB TYR 32 1HB TYR 32 6.955 1.007 -0.727 241 HD1 TYR 32 HD2 TYR 32 8.596 3.421 -0.640 242 HD2 TYR 32 HD1 TYR 32 4.551 2.811 0.663 243 HE1 TYR 32 HE2 TYR 32 8.842 5.278 0.984 244 HE2 TYR 32 HE1 TYR 32 4.795 4.668 2.290 245 HH TYR 32 HH TYR 32 7.271 6.902 2.168 246 H GLU 33 H GLU 33 8.499 2.351 -4.469 247 HA GLU 33 HA GLU 33 10.543 1.261 -4.999 248 1HB GLU 33 2HB GLU 33 11.101 3.532 -4.124 249 2HB GLU 33 1HB GLU 33 11.308 2.826 -2.520 250 1HG GLU 33 2HG GLU 33 13.257 1.738 -3.095 251 2HG GLU 33 1HG GLU 33 12.782 1.560 -4.786 252 H GLY 34 H GLY 34 10.270 -0.966 -4.587 253 1HA GLY 34 2HA GLY 34 11.383 -2.842 -3.503 254 2HA GLY 34 1HA GLY 34 11.483 -1.882 -2.025 255 H CYS 35 H CYS 35 8.731 -0.951 -2.116 256 HA CYS 35 HA CYS 35 7.337 -3.536 -1.527 257 1HB CYS 35 2HB CYS 35 7.724 -1.153 0.085 258 2HB CYS 35 1HB CYS 35 6.007 -1.475 -0.152 259 H LEU 36 H LEU 36 4.893 -3.322 -1.752 260 HA LEU 36 HA LEU 36 4.069 -1.246 -3.697 261 1HB LEU 36 2HB LEU 36 4.802 -3.491 -4.809 262 2HB LEU 36 1HB LEU 36 3.278 -4.106 -4.178 263 HG LEU 36 HG LEU 36 3.072 -3.210 -6.496 264 1HD1 LEU 36 1HD1 LEU 36 1.356 -2.935 -4.397 265 2HD1 LEU 36 3HD1 LEU 36 1.504 -1.262 -4.939 266 3HD1 LEU 36 2HD1 LEU 36 0.961 -2.509 -6.062 267 1HD2 LEU 36 3HD2 LEU 36 4.686 -1.164 -5.493 268 2HD2 LEU 36 2HD2 LEU 36 3.892 -1.183 -7.067 269 3HD2 LEU 36 1HD2 LEU 36 3.104 -0.412 -5.691 270 H TRP 37 H TRP 37 2.310 -0.333 -2.832 271 HA TRP 37 HA TRP 37 0.581 -1.952 -1.032 272 1HB TRP 37 2HB TRP 37 0.515 1.046 -1.500 273 2HB TRP 37 1HB TRP 37 -0.245 0.144 -0.201 274 HD1 TRP 37 HD1 TRP 37 3.394 0.309 -1.529 275 HE1 TRP 37 HE1 TRP 37 4.959 0.559 0.496 276 HE3 TRP 37 HE3 TRP 37 -0.049 0.381 2.253 277 HZ2 TRP 37 HZ2 TRP 37 4.782 0.763 3.343 278 HZ3 TRP 37 HZ3 TRP 37 0.675 0.595 4.602 279 HH2 TRP 37 HH2 TRP 37 3.089 0.791 5.158 280 H ASN 38 H ASN 38 -1.876 -1.345 -1.275 281 HA ASN 38 HA ASN 38 -2.548 -0.796 -4.121 282 1HB ASN 38 2HB ASN 38 -3.863 -2.746 -4.391 283 2HB ASN 38 1HB ASN 38 -2.380 -3.316 -3.634 284 1HD2 ASN 38 2HD2 ASN 38 -5.874 -3.344 -1.479 285 2HD2 ASN 38 1HD2 ASN 38 -5.764 -2.404 -2.888 286 H ALA 39 H ALA 39 -4.192 0.586 -4.272 287 HA ALA 39 HA ALA 39 -5.827 1.153 -1.860 288 1HB ALA 39 2HB ALA 39 -4.778 2.726 -4.065 289 2HB ALA 39 1HB ALA 39 -6.523 2.936 -3.921 290 3HB ALA 39 3HB ALA 39 -5.478 3.278 -2.544 291 H THR 40 H THR 40 -8.071 0.934 -1.904 292 HA THR 40 HA THR 40 -9.139 -0.886 -3.939 293 HB THR 40 HB THR 40 -10.880 -1.264 -2.463 294 HG1 THR 40 HG1 THR 40 -10.809 0.998 -0.953 295 1HG2 THR 40 2HG2 THR 40 -8.568 -1.434 -1.312 296 2HG2 THR 40 1HG2 THR 40 -9.031 0.046 -0.470 297 3HG2 THR 40 3HG2 THR 40 -9.996 -1.417 -0.278 298 H GLY 41 H GLY 41 -10.013 2.377 -2.740 299 1HA GLY 41 2HA GLY 41 -10.445 3.448 -5.352 300 2HA GLY 41 1HA GLY 41 -11.994 2.915 -4.698 301 H VAL 42 H VAL 42 -12.180 3.638 -2.218 302 HA VAL 42 HA VAL 42 -12.394 6.473 -2.211 303 HB VAL 42 HB VAL 42 -13.700 4.959 -0.729 304 1HG1 VAL 42 2HG1 VAL 42 -11.102 4.022 -0.053 305 2HG1 VAL 42 1HG1 VAL 42 -11.787 4.737 1.406 306 3HG1 VAL 42 3HG1 VAL 42 -12.649 3.449 0.567 307 1HG2 VAL 42 2HG2 VAL 42 -12.014 7.070 0.653 308 2HG2 VAL 42 1HG2 VAL 42 -13.561 7.326 -0.153 309 3HG2 VAL 42 3HG2 VAL 42 -13.486 6.373 1.328 310 H VAL 43 H VAL 43 -10.304 7.294 -2.839 311 HA VAL 43 HA VAL 43 -8.420 7.456 -0.552 312 HB VAL 43 HB VAL 43 -7.329 7.051 -3.325 313 1HG1 VAL 43 2HG1 VAL 43 -6.344 6.662 -0.491 314 2HG1 VAL 43 1HG1 VAL 43 -5.465 6.051 -1.893 315 3HG1 VAL 43 3HG1 VAL 43 -5.728 7.784 -1.704 316 1HG2 VAL 43 2HG2 VAL 43 -8.908 5.155 -2.755 317 2HG2 VAL 43 1HG2 VAL 43 -7.230 4.659 -2.980 318 3HG2 VAL 43 3HG2 VAL 43 -7.893 4.817 -1.354 319 H VAL 44 H VAL 44 -7.946 9.573 -0.219 320 HA VAL 44 HA VAL 44 -8.931 11.671 -1.852 321 HB VAL 44 HB VAL 44 -6.727 11.613 0.220 322 1HG1 VAL 44 3HG1 VAL 44 -7.644 13.770 -1.596 323 2HG1 VAL 44 2HG1 VAL 44 -7.510 14.212 0.106 324 3HG1 VAL 44 1HG1 VAL 44 -6.104 13.583 -0.755 325 1HG2 VAL 44 3HG2 VAL 44 -9.290 11.216 0.682 326 2HG2 VAL 44 2HG2 VAL 44 -8.375 12.303 1.728 327 3HG2 VAL 44 1HG2 VAL 44 -9.403 12.963 0.456 328 H CYS 45 H CYS 45 -8.286 12.088 -3.908 329 HA CYS 45 HA CYS 45 -5.387 11.744 -4.564 330 1HB CYS 45 2HB CYS 45 -7.883 11.122 -6.026 331 2HB CYS 45 1HB CYS 45 -6.624 11.885 -6.995 332 H THR 46 H THR 46 -4.301 13.493 -5.449 333 HA THR 46 HA THR 46 -5.871 15.901 -6.183 334 HB THR 46 HB THR 46 -5.190 16.182 -3.820 335 HG1 THR 46 HG1 THR 46 -5.178 17.971 -5.287 336 1HG2 THR 46 2HG2 THR 46 -2.497 15.522 -4.990 337 2HG2 THR 46 1HG2 THR 46 -2.624 16.493 -3.523 338 3HG2 THR 46 3HG2 THR 46 -3.272 14.854 -3.554 339 H GLY 47 H GLY 47 -4.550 17.450 -7.448 340 1HA GLY 47 2HA GLY 47 -3.035 17.935 -9.174 341 2HA GLY 47 1HA GLY 47 -1.919 16.820 -8.383 342 H ASP 48 H ASP 48 -5.036 16.556 -10.139 343 HA ASP 48 HA ASP 48 -5.618 15.105 -11.907 344 1HB ASP 48 2HB ASP 48 -2.751 15.481 -12.165 345 2HB ASP 48 1HB ASP 48 -3.210 13.835 -12.598 346 H GLU 49 H GLU 49 -4.635 14.341 -8.957 347 HA GLU 49 HA GLU 49 -5.049 12.437 -7.681 348 1HB GLU 49 2HB GLU 49 -5.420 10.870 -10.238 349 2HB GLU 49 1HB GLU 49 -6.056 10.504 -8.635 350 1HG GLU 49 2HG GLU 49 -7.918 11.671 -9.106 351 2HG GLU 49 1HG GLU 49 -6.945 13.124 -9.340 352 H THR 50 H THR 50 -2.576 12.916 -9.876 353 HA THR 50 HA THR 50 -1.140 10.492 -9.892 354 HB THR 50 HB THR 50 0.850 12.354 -9.420 355 HG1 THR 50 HG1 THR 50 0.153 14.270 -9.915 356 1HG2 THR 50 1HG2 THR 50 -0.598 11.445 -11.893 357 2HG2 THR 50 3HG2 THR 50 0.740 12.589 -12.007 358 3HG2 THR 50 2HG2 THR 50 1.006 10.987 -11.317 359 H GLN 51 H GLN 51 -1.628 12.839 -7.299 360 HA GLN 51 HA GLN 51 0.012 11.095 -5.517 361 1HB GLN 51 2HB GLN 51 -1.107 13.782 -4.740 362 2HB GLN 51 1HB GLN 51 0.286 12.933 -4.071 363 1HG GLN 51 2HG GLN 51 1.680 13.839 -5.600 364 2HG GLN 51 1HG GLN 51 0.596 13.431 -6.931 365 1HE2 GLN 51 2HE2 GLN 51 0.357 17.145 -5.206 366 2HE2 GLN 51 1HE2 GLN 51 1.197 15.901 -4.412 367 H CYS 52 H CYS 52 -1.037 10.015 -3.824 368 HA CYS 52 HA CYS 52 -3.801 10.825 -3.202 369 1HB CYS 52 2HB CYS 52 -3.419 8.923 -5.159 370 2HB CYS 52 1HB CYS 52 -3.675 7.941 -3.716 371 H TYR 53 H TYR 53 -4.656 9.808 -1.276 372 HA TYR 53 HA TYR 53 -2.810 8.099 0.262 373 1HB TYR 53 2HB TYR 53 -2.006 10.076 1.202 374 2HB TYR 53 1HB TYR 53 -3.542 10.916 0.997 375 HD1 TYR 53 HD2 TYR 53 -5.494 10.300 2.486 376 HD2 TYR 53 HD1 TYR 53 -1.498 8.910 3.238 377 HE1 TYR 53 HE2 TYR 53 -6.126 9.731 4.814 378 HE2 TYR 53 HE1 TYR 53 -2.134 8.333 5.564 379 HH TYR 53 HH TYR 53 -5.294 9.206 6.867 380 H GLY 54 H GLY 54 -3.878 7.183 2.185 381 1HA GLY 54 2HA GLY 54 -6.350 7.328 3.210 382 2HA GLY 54 1HA GLY 54 -6.733 6.662 1.619 383 H THR 55 H THR 55 -6.265 4.504 1.202 384 HA THR 55 HA THR 55 -4.727 3.012 3.270 385 HB THR 55 HB THR 55 -6.541 1.143 2.887 386 HG1 THR 55 HG1 THR 55 -7.542 2.960 1.399 387 1HG2 THR 55 2HG2 THR 55 -6.003 2.884 4.896 388 2HG2 THR 55 1HG2 THR 55 -7.682 3.304 4.549 389 3HG2 THR 55 3HG2 THR 55 -7.256 1.647 4.978 390 H TRP 56 H TRP 56 -3.303 1.703 2.315 391 HA TRP 56 HA TRP 56 -3.758 0.774 -0.480 392 1HB TRP 56 2HB TRP 56 -1.134 1.616 0.712 393 2HB TRP 56 1HB TRP 56 -1.473 1.263 -0.986 394 HD1 TRP 56 HD1 TRP 56 -2.681 3.730 1.729 395 HE1 TRP 56 HE1 TRP 56 -3.196 5.982 0.599 396 HE3 TRP 56 HE3 TRP 56 -1.730 2.483 -3.119 397 HZ2 TRP 56 HZ2 TRP 56 -3.197 7.108 -2.052 398 HZ3 TRP 56 HZ3 TRP 56 -1.998 4.150 -4.929 399 HH2 TRP 56 HH2 TRP 56 -2.731 6.462 -4.403 400 H VAL 57 H VAL 57 -4.427 -1.250 0.847 401 HA VAL 57 HA VAL 57 -2.785 -2.572 2.669 402 HB VAL 57 HB VAL 57 -4.443 -3.777 0.433 403 1HG1 VAL 57 2HG1 VAL 57 -2.516 -5.060 2.040 404 2HG1 VAL 57 1HG1 VAL 57 -4.076 -5.459 2.761 405 3HG1 VAL 57 3HG1 VAL 57 -3.768 -5.831 1.064 406 1HG2 VAL 57 1HG2 VAL 57 -5.448 -2.316 2.347 407 2HG2 VAL 57 3HG2 VAL 57 -6.188 -3.881 2.012 408 3HG2 VAL 57 2HG2 VAL 57 -5.086 -3.701 3.378 409 HA PRO 58 HA PRO 58 0.904 -3.365 0.328 410 1HB PRO 58 2HB PRO 58 2.110 -4.970 2.244 411 2HB PRO 58 1HB PRO 58 2.113 -3.197 2.283 412 1HG PRO 58 2HG PRO 58 0.505 -5.112 3.910 413 2HG PRO 58 1HG PRO 58 1.042 -3.465 4.312 414 1HD PRO 58 2HD PRO 58 -1.564 -4.169 3.495 415 2HD PRO 58 1HD PRO 58 -0.888 -2.527 3.481 416 H ILE 59 H ILE 59 1.538 -5.069 -1.057 417 HA ILE 59 HA ILE 59 0.510 -7.788 -0.527 418 HB ILE 59 HB ILE 59 -0.615 -7.863 -2.755 419 1HG1 ILE 59 2HG1 ILE 59 0.739 -5.768 -3.524 420 2HG1 ILE 59 1HG1 ILE 59 -0.923 -5.942 -4.073 421 1HG2 ILE 59 3HG2 ILE 59 -1.853 -7.442 -0.616 422 2HG2 ILE 59 2HG2 ILE 59 -1.704 -5.711 -0.915 423 3HG2 ILE 59 1HG2 ILE 59 -2.635 -6.720 -2.022 424 1HD1 ILE 59 1HD1 ILE 59 -1.639 -4.483 -2.154 425 2HD1 ILE 59 3HD1 ILE 59 0.061 -4.199 -1.795 426 3HD1 ILE 59 2HD1 ILE 59 -0.611 -3.664 -3.326 427 H GLY 60 H GLY 60 2.370 -5.610 -2.634 428 1HA GLY 60 2HA GLY 60 3.933 -8.031 -3.431 429 2HA GLY 60 1HA GLY 60 3.451 -6.832 -4.626 430 H LEU 61 H LEU 61 6.034 -7.274 -4.569 431 HA LEU 61 HA LEU 61 7.443 -5.552 -2.677 432 1HB LEU 61 2HB LEU 61 8.490 -6.712 -5.275 433 2HB LEU 61 1HB LEU 61 9.430 -6.194 -3.875 434 HG LEU 61 HG LEU 61 7.409 -8.453 -3.836 435 1HD1 LEU 61 1HD1 LEU 61 10.174 -8.347 -4.729 436 2HD1 LEU 61 3HD1 LEU 61 9.987 -9.446 -3.363 437 3HD1 LEU 61 2HD1 LEU 61 9.024 -9.681 -4.820 438 1HD2 LEU 61 3HD2 LEU 61 8.018 -7.087 -1.704 439 2HD2 LEU 61 2HD2 LEU 61 8.117 -8.845 -1.618 440 3HD2 LEU 61 1HD2 LEU 61 9.584 -7.889 -1.823 441 H ALA 62 H ALA 62 6.062 -5.283 -5.902 442 HA ALA 62 HA ALA 62 5.939 -2.478 -5.858 443 1HB ALA 62 3HB ALA 62 8.588 -3.280 -6.132 444 2HB ALA 62 2HB ALA 62 8.095 -2.865 -7.774 445 3HB ALA 62 1HB ALA 62 7.942 -1.676 -6.480 446 H ILE 63 H ILE 63 4.253 -4.510 -6.905 447 HA ILE 63 HA ILE 63 3.324 -3.433 -9.232 448 HB ILE 63 HB ILE 63 5.827 -4.744 -9.788 449 1HG1 ILE 63 2HG1 ILE 63 5.306 -2.553 -10.629 450 2HG1 ILE 63 1HG1 ILE 63 5.379 -3.625 -12.025 451 1HG2 ILE 63 1HG2 ILE 63 3.410 -5.799 -11.275 452 2HG2 ILE 63 3HG2 ILE 63 5.057 -5.900 -11.897 453 3HG2 ILE 63 2HG2 ILE 63 4.624 -6.738 -10.406 454 1HD1 ILE 63 3HD1 ILE 63 2.701 -3.683 -11.011 455 2HD1 ILE 63 2HD1 ILE 63 3.187 -1.994 -11.170 456 3HD1 ILE 63 1HD1 ILE 63 3.263 -3.068 -12.566 457 HA PRO 64 HA PRO 64 1.711 -7.913 -9.193 458 1HB PRO 64 2HB PRO 64 2.137 -9.366 -6.887 459 2HB PRO 64 1HB PRO 64 3.133 -9.478 -8.351 460 1HG PRO 64 2HG PRO 64 3.765 -8.191 -5.756 461 2HG PRO 64 1HG PRO 64 4.864 -8.784 -7.007 462 1HD PRO 64 2HD PRO 64 4.161 -6.082 -6.526 463 2HD PRO 64 1HD PRO 64 5.069 -6.692 -7.922 464 H GLU 65 H GLU 65 -0.390 -8.427 -8.552 465 HA GLU 65 HA GLU 65 -1.795 -6.477 -6.974 466 1HB GLU 65 2HB GLU 65 -2.652 -8.012 -8.933 467 2HB GLU 65 1HB GLU 65 -2.972 -9.168 -7.641 468 1HG GLU 65 2HG GLU 65 -4.064 -7.001 -6.511 469 2HG GLU 65 1HG GLU 65 -4.263 -6.545 -8.202 470 H ASN 66 H ASN 66 -3.584 -8.650 -5.748 471 HA ASN 66 HA ASN 66 -1.966 -8.987 -3.277 472 1HB ASN 66 2HB ASN 66 -4.346 -7.785 -3.501 473 2HB ASN 66 1HB ASN 66 -4.916 -9.447 -3.327 474 1HD2 ASN 66 2HD2 ASN 66 -4.531 -8.001 0.103 475 2HD2 ASN 66 1HD2 ASN 66 -5.463 -7.610 -1.262 476 H ALA 67 H ALA 67 -1.809 -10.787 -5.617 477 HA ALA 67 HA ALA 67 -1.596 -13.278 -4.440 478 1HB ALA 67 1HB ALA 67 -4.383 -12.532 -4.740 479 2HB ALA 67 3HB ALA 67 -4.023 -13.974 -5.691 480 3HB ALA 67 2HB ALA 67 -3.694 -13.956 -3.959 481 H ALA 68 H ALA 68 -0.215 -12.109 -6.416 482 HA ALA 68 HA ALA 68 -0.941 -13.724 -8.825 483 1HB ALA 68 1HB ALA 68 -0.081 -10.850 -8.615 484 2HB ALA 68 3HB ALA 68 0.312 -11.780 -10.062 485 3HB ALA 68 2HB ALA 68 -1.372 -11.554 -9.588 486 H ALA 69 H ALA 69 1.887 -11.669 -8.618 487 HA ALA 69 HA ALA 69 3.640 -13.932 -9.086 488 1HB ALA 69 1HB ALA 69 4.230 -11.039 -8.388 489 2HB ALA 69 3HB ALA 69 5.457 -12.223 -8.839 490 3HB ALA 69 2HB ALA 69 4.218 -11.750 -10.001 491 H HIS 70 HN HIS 70 4.755 -15.121 -7.590 492 HA HIS 70 HA HIS 70 4.129 -14.766 -4.768 493 1HB HIS 70 2HB HIS 70 5.406 -16.774 -4.421 494 2HB HIS 70 1HB HIS 70 4.504 -16.996 -5.920 495 HD1 HIS 70 HD1 HIS 70 7.849 -17.235 -4.588 496 HD2 HIS 70 HD2 HIS 70 6.226 -16.236 -8.297 497 HE1 HIS 70 HE1 HIS 70 9.722 -17.473 -6.277 No H/Q in entry = 497 Start of MODEL 13 1 1H GLU 1 1H GLU 1 12.555 -7.912 -2.252 2 2H GLU 1 3H GLU 1 12.748 -6.253 -2.542 3 3H GLU 1 2H GLU 1 13.848 -7.071 -1.538 4 HA GLU 1 HA GLU 1 12.573 -6.127 0.064 5 1HB GLU 1 2HB GLU 1 11.103 -5.034 -1.662 6 2HB GLU 1 1HB GLU 1 10.145 -6.513 -1.712 7 1HG GLU 1 2HG GLU 1 9.185 -4.787 -0.178 8 2HG GLU 1 1HG GLU 1 9.593 -6.290 0.651 9 H THR 2 H THR 2 10.979 -7.076 1.654 10 HA THR 2 HA THR 2 10.848 -10.043 1.305 11 HB THR 2 HB THR 2 10.656 -8.703 3.973 12 HG1 THR 2 HG1 THR 2 12.498 -7.836 2.870 13 1HG2 THR 2 1HG2 THR 2 10.327 -11.184 3.592 14 2HG2 THR 2 3HG2 THR 2 12.022 -11.264 3.112 15 3HG2 THR 2 2HG2 THR 2 11.592 -10.777 4.752 16 H VAL 3 H VAL 3 8.736 -10.321 0.529 17 HA VAL 3 HA VAL 3 6.482 -8.805 1.089 18 HB VAL 3 HB VAL 3 6.314 -11.817 1.068 19 1HG1 VAL 3 2HG1 VAL 3 4.482 -9.635 0.846 20 2HG1 VAL 3 1HG1 VAL 3 4.540 -10.456 -0.714 21 3HG1 VAL 3 3HG1 VAL 3 4.134 -11.361 0.745 22 1HG2 VAL 3 3HG2 VAL 3 7.448 -10.003 -0.970 23 2HG2 VAL 3 2HG2 VAL 3 7.625 -11.750 -0.796 24 3HG2 VAL 3 1HG2 VAL 3 6.190 -11.082 -1.575 25 H GLU 4 H GLU 4 8.202 -10.912 3.267 26 HA GLU 4 HA GLU 4 6.165 -11.392 5.197 27 1HB GLU 4 2HB GLU 4 9.014 -11.694 5.018 28 2HB GLU 4 1HB GLU 4 8.625 -10.931 6.560 29 1HG GLU 4 2HG GLU 4 8.575 -13.372 6.801 30 2HG GLU 4 1HG GLU 4 6.951 -12.712 6.998 31 H SER 5 H SER 5 8.630 -8.778 5.158 32 HA SER 5 HA SER 5 7.228 -7.334 7.276 33 1HB SER 5 2HB SER 5 9.317 -6.100 5.496 34 2HB SER 5 1HB SER 5 9.006 -5.804 7.204 35 HG SER 5 HG SER 5 9.576 -8.217 7.302 36 H CYS 6 H CYS 6 7.709 -6.895 3.772 37 HA CYS 6 HA CYS 6 6.375 -4.499 3.344 38 1HB CYS 6 2HB CYS 6 7.340 -6.348 1.667 39 2HB CYS 6 1HB CYS 6 5.636 -6.788 1.563 40 H LEU 7 H LEU 7 5.008 -7.655 4.119 41 HA LEU 7 HA LEU 7 2.266 -6.551 3.961 42 1HB LEU 7 2HB LEU 7 3.201 -9.340 4.696 43 2HB LEU 7 1HB LEU 7 1.538 -8.846 4.361 44 HG LEU 7 HG LEU 7 3.835 -8.657 2.392 45 1HD1 LEU 7 3HD1 LEU 7 1.615 -10.659 2.790 46 2HD1 LEU 7 2HD1 LEU 7 2.358 -10.422 1.208 47 3HD1 LEU 7 1HD1 LEU 7 3.339 -10.958 2.572 48 1HD2 LEU 7 1HD2 LEU 7 0.894 -7.978 2.268 49 2HD2 LEU 7 3HD2 LEU 7 2.271 -6.948 1.873 50 3HD2 LEU 7 2HD2 LEU 7 1.838 -8.290 0.811 51 H ALA 8 H ALA 8 4.725 -7.419 6.255 52 HA ALA 8 HA ALA 8 3.079 -7.497 8.618 53 1HB ALA 8 1HB ALA 8 5.633 -8.121 8.253 54 2HB ALA 8 3HB ALA 8 5.887 -6.434 8.697 55 3HB ALA 8 2HB ALA 8 5.079 -7.529 9.820 56 H LYS 9 H LYS 9 3.944 -5.056 6.465 57 HA LYS 9 HA LYS 9 4.278 -2.683 7.823 58 1HB LYS 9 2HB LYS 9 2.819 -3.533 5.344 59 2HB LYS 9 1HB LYS 9 2.688 -1.859 5.849 60 1HG LYS 9 2HG LYS 9 5.158 -1.688 5.895 61 2HG LYS 9 1HG LYS 9 5.269 -3.370 5.373 62 1HD LYS 9 2HD LYS 9 4.485 -2.908 3.234 63 2HD LYS 9 1HD LYS 9 3.645 -1.448 3.744 64 1HE LYS 9 2HE LYS 9 6.587 -1.849 3.242 65 2HE LYS 9 1HE LYS 9 5.517 -0.613 2.582 66 1HZ LYS 9 2HZ LYS 9 5.274 0.011 5.089 67 2HZ LYS 9 1HZ LYS 9 6.780 -0.766 5.223 68 3HZ LYS 9 3HZ LYS 9 6.603 0.566 4.186 69 HA PRO 10 HA PRO 10 0.585 -1.755 10.034 70 1HB PRO 10 2HB PRO 10 -0.190 0.742 9.142 71 2HB PRO 10 1HB PRO 10 1.154 0.457 10.262 72 1HG PRO 10 2HG PRO 10 1.238 1.121 7.351 73 2HG PRO 10 1HG PRO 10 2.419 1.486 8.620 74 1HD PRO 10 2HD PRO 10 2.676 -0.558 6.733 75 2HD PRO 10 1HD PRO 10 3.576 -0.473 8.258 76 H HIS 11 H HIS 11 0.493 -2.184 6.724 77 HA HIS 11 HA HIS 11 -1.151 -3.098 5.369 78 1HB HIS 11 2HB HIS 11 -2.194 -3.446 8.032 79 2HB HIS 11 1HB HIS 11 -3.495 -3.107 6.883 80 HD1 HIS 11 HD1 HIS 11 -4.370 -5.175 5.835 81 HD2 HIS 11 HD2 HIS 11 -0.304 -5.525 6.694 82 HE1 HIS 11 HE1 HIS 11 -3.672 -7.485 5.067 83 H THR 12 H THR 12 -1.086 -1.024 4.205 84 HA THR 12 HA THR 12 -2.420 0.419 2.960 85 HB THR 12 HB THR 12 -4.241 -1.183 4.211 86 HG1 THR 12 HG1 THR 12 -5.543 -0.575 2.603 87 1HG2 THR 12 1HG2 THR 12 -4.931 1.695 4.815 88 2HG2 THR 12 3HG2 THR 12 -6.127 0.401 4.795 89 3HG2 THR 12 2HG2 THR 12 -4.818 0.366 5.965 90 H GLU 13 H GLU 13 -3.214 1.063 6.425 91 HA GLU 13 HA GLU 13 -3.609 3.787 6.136 92 1HB GLU 13 2HB GLU 13 -3.653 2.387 8.316 93 2HB GLU 13 1HB GLU 13 -1.932 2.766 8.439 94 1HG GLU 13 2HG GLU 13 -3.051 5.225 7.840 95 2HG GLU 13 1HG GLU 13 -4.262 4.495 8.898 96 H ASN 14 H ASN 14 -2.383 4.812 4.657 97 HA ASN 14 HA ASN 14 0.014 6.086 5.289 98 1HB ASN 14 2HB ASN 14 0.524 3.360 4.821 99 2HB ASN 14 1HB ASN 14 0.988 4.167 3.323 100 1HD2 ASN 14 2HD2 ASN 14 4.078 4.798 4.954 101 2HD2 ASN 14 1HD2 ASN 14 3.290 3.923 3.730 102 H SER 15 H SER 15 1.186 5.734 2.541 103 HA SER 15 HA SER 15 -0.806 6.058 0.562 104 1HB SER 15 2HB SER 15 -0.627 8.575 0.297 105 2HB SER 15 1HB SER 15 -1.539 8.032 1.702 106 HG SER 15 HG SER 15 1.224 8.447 1.930 107 H PHE 16 H PHE 16 0.274 7.820 -1.167 108 HA PHE 16 HA PHE 16 3.110 7.864 -1.341 109 1HB PHE 16 2HB PHE 16 3.086 5.477 -1.502 110 2HB PHE 16 1HB PHE 16 1.711 5.501 -2.608 111 HD1 PHE 16 HD1 PHE 16 5.222 6.802 -2.328 112 HD2 PHE 16 HD2 PHE 16 2.101 5.352 -4.896 113 HE1 PHE 16 HE1 PHE 16 6.772 6.888 -4.262 114 HE2 PHE 16 HE2 PHE 16 3.647 5.442 -6.828 115 HZ PHE 16 HZ PHE 16 5.986 6.203 -6.513 116 H THR 17 H THR 17 3.731 8.954 -3.327 117 HA THR 17 HA THR 17 1.373 9.907 -4.870 118 HB THR 17 HB THR 17 2.335 11.882 -4.249 119 HG1 THR 17 HG1 THR 17 4.192 12.235 -5.912 120 1HG2 THR 17 2HG2 THR 17 4.925 10.325 -4.130 121 2HG2 THR 17 1HG2 THR 17 4.873 12.078 -3.947 122 3HG2 THR 17 3HG2 THR 17 4.026 11.046 -2.794 123 H ASN 18 H ASN 18 1.724 10.245 -7.234 124 HA ASN 18 HA ASN 18 2.501 9.498 -9.341 125 1HB ASN 18 2HB ASN 18 4.805 9.515 -8.077 126 2HB ASN 18 1HB ASN 18 4.559 7.770 -7.977 127 1HD2 ASN 18 2HD2 ASN 18 5.503 7.238 -11.320 128 2HD2 ASN 18 1HD2 ASN 18 5.203 6.580 -9.783 129 H VAL 19 H VAL 19 0.825 8.060 -7.139 130 HA VAL 19 HA VAL 19 0.931 5.289 -7.314 131 HB VAL 19 HB VAL 19 -1.531 7.052 -7.325 132 1HG1 VAL 19 3HG1 VAL 19 -2.026 4.718 -7.959 133 2HG1 VAL 19 2HG1 VAL 19 -1.168 4.145 -6.529 134 3HG1 VAL 19 1HG1 VAL 19 -2.654 5.079 -6.352 135 1HG2 VAL 19 2HG2 VAL 19 0.422 7.045 -5.461 136 2HG2 VAL 19 1HG2 VAL 19 -1.279 7.259 -5.052 137 3HG2 VAL 19 3HG2 VAL 19 -0.527 5.673 -4.885 138 H TRP 20 H TRP 20 -0.057 3.738 -8.676 139 HA TRP 20 HA TRP 20 -0.973 4.741 -11.329 140 1HB TRP 20 2HB TRP 20 0.544 3.479 -12.494 141 2HB TRP 20 1HB TRP 20 1.477 3.571 -11.006 142 HD1 TRP 20 HD1 TRP 20 -0.815 1.208 -12.973 143 HE1 TRP 20 HE1 TRP 20 -0.470 -1.197 -12.118 144 HE3 TRP 20 HE3 TRP 20 2.298 2.125 -9.031 145 HZ2 TRP 20 HZ2 TRP 20 0.975 -2.554 -10.055 146 HZ3 TRP 20 HZ3 TRP 20 3.150 0.257 -7.645 147 HH2 TRP 20 HH2 TRP 20 2.488 -2.079 -8.153 148 H LYS 21 H LYS 21 -1.935 2.573 -12.494 149 HA LYS 21 HA LYS 21 -3.304 0.832 -10.564 150 1HB LYS 21 2HB LYS 21 -4.788 2.831 -10.655 151 2HB LYS 21 1HB LYS 21 -4.921 2.626 -12.403 152 1HG LYS 21 2HG LYS 21 -5.508 0.094 -11.478 153 2HG LYS 21 1HG LYS 21 -6.232 1.120 -10.238 154 1HD LYS 21 2HD LYS 21 -7.971 1.004 -11.777 155 2HD LYS 21 1HD LYS 21 -7.145 2.466 -12.321 156 1HE LYS 21 2HE LYS 21 -5.786 0.946 -13.869 157 2HE LYS 21 1HE LYS 21 -6.956 -0.317 -13.486 158 1HZ LYS 21 1HZ LYS 21 -8.666 1.493 -14.121 159 2HZ LYS 21 3HZ LYS 21 -7.363 2.211 -14.936 160 3HZ LYS 21 2HZ LYS 21 -7.861 0.641 -15.351 161 H ASP 22 H ASP 22 -3.124 -1.138 -11.486 162 HA ASP 22 HA ASP 22 -2.797 -1.314 -14.409 163 1HB ASP 22 2HB ASP 22 -1.901 -2.809 -12.088 164 2HB ASP 22 1HB ASP 22 -2.661 -3.873 -13.266 165 H ASP 23 H ASP 23 -4.533 -1.794 -15.655 166 HA ASP 23 HA ASP 23 -7.074 -2.593 -14.477 167 1HB ASP 23 2HB ASP 23 -6.127 -1.644 -17.035 168 2HB ASP 23 1HB ASP 23 -7.085 -3.105 -17.274 169 H LYS 24 H LYS 24 -4.238 -4.151 -15.535 170 HA LYS 24 HA LYS 24 -5.488 -6.748 -16.110 171 1HB LYS 24 2HB LYS 24 -2.815 -5.501 -16.304 172 2HB LYS 24 1HB LYS 24 -2.799 -7.207 -15.853 173 1HG LYS 24 2HG LYS 24 -4.536 -7.446 -17.823 174 2HG LYS 24 1HG LYS 24 -3.820 -5.930 -18.370 175 1HD LYS 24 2HD LYS 24 -1.846 -7.948 -17.535 176 2HD LYS 24 1HD LYS 24 -2.809 -8.422 -18.934 177 1HE LYS 24 2HE LYS 24 -1.564 -7.072 -20.230 178 2HE LYS 24 1HE LYS 24 -2.109 -5.687 -19.284 179 1HZ LYS 24 2HZ LYS 24 -0.324 -6.470 -17.626 180 2HZ LYS 24 1HZ LYS 24 0.320 -7.319 -18.949 181 3HZ LYS 24 3HZ LYS 24 0.169 -5.632 -19.019 182 H THR 25 H THR 25 -3.082 -5.526 -13.776 183 HA THR 25 HA THR 25 -3.192 -7.776 -12.040 184 HB THR 25 HB THR 25 -2.083 -6.400 -10.429 185 HG1 THR 25 HG1 THR 25 -3.512 -4.612 -10.604 186 1HG2 THR 25 3HG2 THR 25 -1.297 -5.520 -13.213 187 2HG2 THR 25 2HG2 THR 25 -0.275 -5.402 -11.781 188 3HG2 THR 25 1HG2 THR 25 -0.746 -6.986 -12.400 189 H LEU 26 H LEU 26 -5.218 -5.006 -12.463 190 HA LEU 26 HA LEU 26 -7.472 -4.798 -11.790 191 1HB LEU 26 2HB LEU 26 -6.874 -7.449 -11.257 192 2HB LEU 26 1HB LEU 26 -7.470 -6.841 -9.713 193 HG LEU 26 HG LEU 26 -9.259 -7.742 -11.221 194 1HD1 LEU 26 1HD1 LEU 26 -9.331 -5.586 -9.559 195 2HD1 LEU 26 3HD1 LEU 26 -9.890 -4.852 -11.061 196 3HD1 LEU 26 2HD1 LEU 26 -10.754 -6.230 -10.379 197 1HD2 LEU 26 1HD2 LEU 26 -7.897 -6.089 -13.111 198 2HD2 LEU 26 3HD2 LEU 26 -9.279 -7.149 -13.391 199 3HD2 LEU 26 2HD2 LEU 26 -9.537 -5.467 -12.929 200 H ASP 27 H ASP 27 -5.989 -2.892 -10.628 201 HA ASP 27 HA ASP 27 -7.329 -2.094 -8.360 202 1HB ASP 27 2HB ASP 27 -5.538 -4.300 -7.744 203 2HB ASP 27 1HB ASP 27 -5.232 -2.888 -6.732 204 H ARG 28 H ARG 28 -6.065 -0.555 -6.880 205 HA ARG 28 HA ARG 28 -4.148 0.957 -8.568 206 1HB ARG 28 2HB ARG 28 -6.159 1.933 -7.178 207 2HB ARG 28 1HB ARG 28 -5.049 1.785 -5.817 208 1HG ARG 28 2HG ARG 28 -4.217 3.787 -6.442 209 2HG ARG 28 1HG ARG 28 -3.495 2.945 -7.812 210 1HD ARG 28 2HD ARG 28 -4.759 4.744 -8.750 211 2HD ARG 28 1HD ARG 28 -5.718 3.288 -9.022 212 HE ARG 28 HE ARG 28 -6.285 4.995 -6.645 213 1HH1 ARG 28 1HH2 ARG 28 -7.791 2.511 -7.876 214 2HH1 ARG 28 2HH2 ARG 28 -9.195 3.315 -8.494 215 1HH2 ARG 28 2HH1 ARG 28 -7.832 6.491 -8.205 216 2HH2 ARG 28 1HH1 ARG 28 -9.219 5.567 -8.678 217 H TYR 29 H TYR 29 -1.984 1.439 -7.746 218 HA TYR 29 HA TYR 29 -1.209 0.071 -5.248 219 1HB TYR 29 2HB TYR 29 -0.051 -0.655 -7.951 220 2HB TYR 29 1HB TYR 29 0.633 -1.161 -6.404 221 HD1 TYR 29 HD1 TYR 29 -2.309 -1.432 -8.635 222 HD2 TYR 29 HD2 TYR 29 -0.415 -2.854 -5.052 223 HE1 TYR 29 HE1 TYR 29 -3.937 -3.296 -8.513 224 HE2 TYR 29 HE2 TYR 29 -2.045 -4.718 -4.931 225 HH TYR 29 HH TYR 29 -4.035 -5.588 -7.505 226 H ALA 30 H ALA 30 0.654 0.894 -4.323 227 HA ALA 30 HA ALA 30 1.839 3.257 -5.729 228 1HB ALA 30 3HB ALA 30 1.184 2.736 -2.838 229 2HB ALA 30 2HB ALA 30 2.454 3.883 -3.264 230 3HB ALA 30 1HB ALA 30 0.803 4.149 -3.823 231 H ASN 31 H ASN 31 3.927 2.957 -6.307 232 HA ASN 31 HA ASN 31 5.411 0.641 -5.321 233 1HB ASN 31 2HB ASN 31 7.216 1.508 -6.820 234 2HB ASN 31 1HB ASN 31 5.675 1.298 -7.651 235 1HD2 ASN 31 2HD2 ASN 31 7.254 5.030 -7.232 236 2HD2 ASN 31 1HD2 ASN 31 8.002 3.687 -6.511 237 H TYR 32 H TYR 32 5.961 0.922 -3.160 238 HA TYR 32 HA TYR 32 7.121 3.472 -2.256 239 1HB TYR 32 2HB TYR 32 5.605 1.739 -0.924 240 2HB TYR 32 1HB TYR 32 7.164 0.991 -0.580 241 HD1 TYR 32 HD2 TYR 32 8.978 2.334 0.531 242 HD2 TYR 32 HD1 TYR 32 4.965 3.805 0.097 243 HE1 TYR 32 HE2 TYR 32 9.421 4.055 2.262 244 HE2 TYR 32 HE1 TYR 32 5.408 5.524 1.828 245 HH TYR 32 HH TYR 32 6.848 6.245 3.377 246 H GLU 33 H GLU 33 8.689 2.526 -4.258 247 HA GLU 33 HA GLU 33 10.775 1.543 -4.814 248 1HB GLU 33 2HB GLU 33 10.949 3.813 -3.169 249 2HB GLU 33 1HB GLU 33 12.135 2.681 -2.517 250 1HG GLU 33 2HG GLU 33 13.519 3.179 -4.217 251 2HG GLU 33 1HG GLU 33 12.323 2.553 -5.352 252 H GLY 34 H GLY 34 10.237 -0.687 -4.280 253 1HA GLY 34 2HA GLY 34 11.570 -2.534 -3.271 254 2HA GLY 34 1HA GLY 34 11.602 -1.594 -1.778 255 H CYS 35 H CYS 35 8.887 -0.765 -1.718 256 HA CYS 35 HA CYS 35 7.554 -3.411 -1.297 257 1HB CYS 35 2HB CYS 35 7.794 -1.023 0.365 258 2HB CYS 35 1HB CYS 35 6.112 -1.503 0.136 259 H LEU 36 H LEU 36 5.061 -3.166 -1.426 260 HA LEU 36 HA LEU 36 4.228 -1.139 -3.422 261 1HB LEU 36 2HB LEU 36 4.904 -3.120 -4.739 262 2HB LEU 36 1HB LEU 36 3.779 -4.112 -3.807 263 HG LEU 36 HG LEU 36 2.019 -2.309 -4.501 264 1HD1 LEU 36 2HD1 LEU 36 4.004 -0.938 -5.501 265 2HD1 LEU 36 1HD1 LEU 36 3.844 -2.029 -6.876 266 3HD1 LEU 36 3HD1 LEU 36 2.486 -1.013 -6.395 267 1HD2 LEU 36 3HD2 LEU 36 3.033 -4.711 -5.803 268 2HD2 LEU 36 2HD2 LEU 36 1.365 -4.184 -5.581 269 3HD2 LEU 36 1HD2 LEU 36 2.293 -3.611 -6.967 270 H TRP 37 H TRP 37 2.450 -0.228 -2.564 271 HA TRP 37 HA TRP 37 0.733 -1.824 -0.749 272 1HB TRP 37 2HB TRP 37 0.545 1.137 -1.389 273 2HB TRP 37 1HB TRP 37 -0.214 0.275 -0.059 274 HD1 TRP 37 HD1 TRP 37 3.387 0.872 -1.341 275 HE1 TRP 37 HE1 TRP 37 4.914 1.132 0.721 276 HE3 TRP 37 HE3 TRP 37 -0.026 0.103 2.378 277 HZ2 TRP 37 HZ2 TRP 37 4.696 1.029 3.580 278 HZ3 TRP 37 HZ3 TRP 37 0.644 0.180 4.743 279 HH2 TRP 37 HH2 TRP 37 3.007 0.649 5.360 280 H ASN 38 H ASN 38 -1.742 -1.076 -1.051 281 HA ASN 38 HA ASN 38 -2.420 -1.050 -3.949 282 1HB ASN 38 2HB ASN 38 -2.605 -3.348 -3.617 283 2HB ASN 38 1HB ASN 38 -3.032 -3.176 -1.925 284 1HD2 ASN 38 2HD2 ASN 38 -6.166 -2.164 -4.336 285 2HD2 ASN 38 1HD2 ASN 38 -4.682 -1.364 -4.500 286 H ALA 39 H ALA 39 -3.732 0.664 -4.199 287 HA ALA 39 HA ALA 39 -5.418 1.601 -1.967 288 1HB ALA 39 2HB ALA 39 -4.194 2.816 -4.224 289 2HB ALA 39 1HB ALA 39 -5.937 2.969 -4.448 290 3HB ALA 39 3HB ALA 39 -5.177 3.597 -2.985 291 H THR 40 H THR 40 -7.583 1.169 -1.826 292 HA THR 40 HA THR 40 -8.949 0.027 -4.219 293 HB THR 40 HB THR 40 -8.340 -1.886 -2.873 294 HG1 THR 40 HG1 THR 40 -10.462 -1.888 -3.662 295 1HG2 THR 40 3HG2 THR 40 -8.165 -0.263 -0.774 296 2HG2 THR 40 2HG2 THR 40 -9.805 -0.841 -0.483 297 3HG2 THR 40 1HG2 THR 40 -8.468 -1.987 -0.563 298 H GLY 41 H GLY 41 -9.479 1.182 -0.867 299 1HA GLY 41 2HA GLY 41 -12.236 1.932 -1.470 300 2HA GLY 41 1HA GLY 41 -11.385 2.246 0.043 301 H VAL 42 H VAL 42 -12.235 4.422 0.019 302 HA VAL 42 HA VAL 42 -11.808 6.267 -2.126 303 HB VAL 42 HB VAL 42 -12.092 6.789 0.848 304 1HG1 VAL 42 3HG1 VAL 42 -11.487 8.531 -1.340 305 2HG1 VAL 42 2HG1 VAL 42 -13.130 8.875 -0.799 306 3HG1 VAL 42 1HG1 VAL 42 -11.789 8.959 0.343 307 1HG2 VAL 42 1HG2 VAL 42 -14.124 6.728 -1.406 308 2HG2 VAL 42 3HG2 VAL 42 -13.991 5.549 -0.102 309 3HG2 VAL 42 2HG2 VAL 42 -14.467 7.208 0.255 310 H VAL 43 H VAL 43 -10.104 7.731 -2.492 311 HA VAL 43 HA VAL 43 -7.787 7.637 -0.638 312 HB VAL 43 HB VAL 43 -7.298 7.358 -3.589 313 1HG1 VAL 43 1HG1 VAL 43 -5.513 7.910 -1.844 314 2HG1 VAL 43 3HG1 VAL 43 -5.761 6.280 -1.215 315 3HG1 VAL 43 2HG1 VAL 43 -5.182 6.510 -2.866 316 1HG2 VAL 43 2HG2 VAL 43 -8.855 5.530 -2.947 317 2HG2 VAL 43 1HG2 VAL 43 -7.248 4.915 -3.333 318 3HG2 VAL 43 3HG2 VAL 43 -7.753 5.067 -1.650 319 H VAL 44 H VAL 44 -7.610 9.786 -0.157 320 HA VAL 44 HA VAL 44 -8.503 11.977 -1.647 321 HB VAL 44 HB VAL 44 -6.054 11.776 0.134 322 1HG1 VAL 44 2HG1 VAL 44 -6.119 13.749 -1.483 323 2HG1 VAL 44 1HG1 VAL 44 -7.574 14.275 -0.636 324 3HG1 VAL 44 3HG1 VAL 44 -6.042 14.165 0.230 325 1HG2 VAL 44 3HG2 VAL 44 -8.966 12.441 0.576 326 2HG2 VAL 44 2HG2 VAL 44 -7.968 11.266 1.434 327 3HG2 VAL 44 1HG2 VAL 44 -7.722 12.992 1.698 328 H CYS 45 H CYS 45 -8.082 11.989 -3.855 329 HA CYS 45 HA CYS 45 -5.241 11.674 -4.700 330 1HB CYS 45 2HB CYS 45 -7.869 11.129 -5.975 331 2HB CYS 45 1HB CYS 45 -6.588 11.710 -7.039 332 H THR 46 H THR 46 -4.175 13.310 -5.732 333 HA THR 46 HA THR 46 -5.668 15.764 -6.470 334 HB THR 46 HB THR 46 -4.938 16.388 -4.300 335 HG1 THR 46 HG1 THR 46 -4.261 17.816 -6.001 336 1HG2 THR 46 3HG2 THR 46 -2.422 14.880 -5.021 337 2HG2 THR 46 2HG2 THR 46 -2.493 15.986 -3.647 338 3HG2 THR 46 1HG2 THR 46 -3.538 14.567 -3.692 339 H GLY 47 H GLY 47 -4.398 17.150 -7.923 340 1HA GLY 47 2HA GLY 47 -2.974 17.466 -9.763 341 2HA GLY 47 1HA GLY 47 -1.834 16.393 -8.946 342 H ASP 48 H ASP 48 -4.982 16.160 -10.647 343 HA ASP 48 HA ASP 48 -5.713 14.559 -12.212 344 1HB ASP 48 2HB ASP 48 -2.762 14.603 -12.521 345 2HB ASP 48 1HB ASP 48 -3.576 13.158 -13.116 346 H GLU 49 H GLU 49 -4.689 13.977 -9.257 347 HA GLU 49 HA GLU 49 -5.055 12.165 -7.841 348 1HB GLU 49 2HB GLU 49 -5.601 10.454 -10.268 349 2HB GLU 49 1HB GLU 49 -6.181 10.223 -8.620 350 1HG GLU 49 2HG GLU 49 -7.969 11.540 -8.985 351 2HG GLU 49 1HG GLU 49 -6.954 12.832 -9.628 352 H THR 50 H THR 50 -2.704 12.390 -10.227 353 HA THR 50 HA THR 50 -1.362 9.922 -10.148 354 HB THR 50 HB THR 50 0.738 11.685 -9.958 355 HG1 THR 50 HG1 THR 50 -0.211 13.570 -9.939 356 1HG2 THR 50 1HG2 THR 50 -0.812 10.354 -12.031 357 2HG2 THR 50 3HG2 THR 50 -0.071 11.845 -12.616 358 3HG2 THR 50 2HG2 THR 50 0.932 10.579 -11.907 359 H GLN 51 H GLN 51 -1.537 12.474 -7.703 360 HA GLN 51 HA GLN 51 0.103 10.752 -5.895 361 1HB GLN 51 2HB GLN 51 -0.833 13.535 -5.216 362 2HB GLN 51 1HB GLN 51 0.582 12.669 -4.617 363 1HG GLN 51 2HG GLN 51 1.730 12.921 -6.708 364 2HG GLN 51 1HG GLN 51 0.269 13.500 -7.510 365 1HE2 GLN 51 2HE2 GLN 51 0.436 16.714 -5.722 366 2HE2 GLN 51 1HE2 GLN 51 -0.719 15.513 -6.047 367 H CYS 52 H CYS 52 -0.904 9.925 -3.988 368 HA CYS 52 HA CYS 52 -3.617 10.883 -3.384 369 1HB CYS 52 2HB CYS 52 -3.433 8.904 -5.242 370 2HB CYS 52 1HB CYS 52 -3.567 7.955 -3.764 371 H TYR 53 H TYR 53 -4.539 9.867 -1.442 372 HA TYR 53 HA TYR 53 -2.607 8.391 0.250 373 1HB TYR 53 2HB TYR 53 -2.121 10.487 1.142 374 2HB TYR 53 1HB TYR 53 -3.723 11.124 0.783 375 HD1 TYR 53 HD1 TYR 53 -1.727 9.111 3.161 376 HD2 TYR 53 HD2 TYR 53 -5.601 10.752 2.288 377 HE1 TYR 53 HE1 TYR 53 -2.463 8.604 5.476 378 HE2 TYR 53 HE2 TYR 53 -6.332 10.252 4.603 379 HH TYR 53 HH TYR 53 -4.809 9.931 6.986 380 H GLY 54 H GLY 54 -3.673 7.297 2.057 381 1HA GLY 54 2HA GLY 54 -6.165 7.189 3.006 382 2HA GLY 54 1HA GLY 54 -6.467 6.582 1.376 383 H THR 55 H THR 55 -6.831 4.400 1.727 384 HA THR 55 HA THR 55 -4.847 2.946 3.425 385 HB THR 55 HB THR 55 -6.543 1.026 3.126 386 HG1 THR 55 HG1 THR 55 -8.225 3.191 2.410 387 1HG2 THR 55 3HG2 THR 55 -6.294 2.945 5.014 388 2HG2 THR 55 2HG2 THR 55 -7.954 3.242 4.500 389 3HG2 THR 55 1HG2 THR 55 -7.486 1.651 5.101 390 H TRP 56 H TRP 56 -3.306 1.906 2.399 391 HA TRP 56 HA TRP 56 -3.736 0.983 -0.405 392 1HB TRP 56 2HB TRP 56 -1.173 1.789 0.954 393 2HB TRP 56 1HB TRP 56 -1.390 1.406 -0.758 394 HD1 TRP 56 HD1 TRP 56 -2.541 4.008 1.838 395 HE1 TRP 56 HE1 TRP 56 -3.078 6.189 0.582 396 HE3 TRP 56 HE3 TRP 56 -1.856 2.418 -2.943 397 HZ2 TRP 56 HZ2 TRP 56 -3.199 7.132 -2.137 398 HZ3 TRP 56 HZ3 TRP 56 -2.187 3.950 -4.854 399 HH2 TRP 56 HH2 TRP 56 -2.859 6.314 -4.460 400 H VAL 57 H VAL 57 -4.518 -1.067 0.832 401 HA VAL 57 HA VAL 57 -3.068 -2.610 2.591 402 HB VAL 57 HB VAL 57 -4.388 -3.690 0.078 403 1HG1 VAL 57 3HG1 VAL 57 -3.575 -4.905 2.723 404 2HG1 VAL 57 2HG1 VAL 57 -4.848 -5.622 1.736 405 3HG1 VAL 57 1HG1 VAL 57 -3.210 -5.479 1.097 406 1HG2 VAL 57 3HG2 VAL 57 -5.475 -2.871 2.786 407 2HG2 VAL 57 2HG2 VAL 57 -5.978 -2.290 1.198 408 3HG2 VAL 57 1HG2 VAL 57 -6.355 -3.941 1.692 409 HA PRO 58 HA PRO 58 0.791 -3.337 0.488 410 1HB PRO 58 2HB PRO 58 1.866 -4.962 2.456 411 2HB PRO 58 1HB PRO 58 1.834 -3.190 2.544 412 1HG PRO 58 2HG PRO 58 0.173 -5.170 4.016 413 2HG PRO 58 1HG PRO 58 0.582 -3.500 4.453 414 1HD PRO 58 2HD PRO 58 -1.891 -4.395 3.366 415 2HD PRO 58 1HD PRO 58 -1.371 -2.709 3.551 416 H ILE 59 H ILE 59 1.345 -4.918 -1.012 417 HA ILE 59 HA ILE 59 0.366 -7.691 -0.547 418 HB ILE 59 HB ILE 59 -0.312 -7.694 -3.023 419 1HG1 ILE 59 2HG1 ILE 59 0.870 -5.365 -3.263 420 2HG1 ILE 59 1HG1 ILE 59 -0.619 -5.672 -4.149 421 1HG2 ILE 59 1HG2 ILE 59 -1.812 -6.160 -0.886 422 2HG2 ILE 59 3HG2 ILE 59 -2.530 -6.544 -2.452 423 3HG2 ILE 59 2HG2 ILE 59 -2.029 -7.843 -1.369 424 1HD1 ILE 59 2HD1 ILE 59 -1.872 -4.588 -2.233 425 2HD1 ILE 59 1HD1 ILE 59 -0.313 -4.111 -1.567 426 3HD1 ILE 59 3HD1 ILE 59 -0.823 -3.499 -3.135 427 H GLY 60 H GLY 60 2.510 -5.521 -2.417 428 1HA GLY 60 2HA GLY 60 4.234 -7.923 -2.815 429 2HA GLY 60 1HA GLY 60 3.803 -6.942 -4.209 430 H LEU 61 H LEU 61 6.221 -6.840 -4.316 431 HA LEU 61 HA LEU 61 7.473 -5.008 -2.372 432 1HB LEU 61 2HB LEU 61 8.812 -6.138 -4.823 433 2HB LEU 61 1HB LEU 61 9.539 -5.672 -3.285 434 HG LEU 61 HG LEU 61 7.794 -8.079 -3.851 435 1HD1 LEU 61 1HD1 LEU 61 10.497 -7.785 -4.026 436 2HD1 LEU 61 3HD1 LEU 61 10.331 -8.261 -2.336 437 3HD1 LEU 61 2HD1 LEU 61 9.703 -9.303 -3.612 438 1HD2 LEU 61 2HD2 LEU 61 8.304 -6.591 -1.330 439 2HD2 LEU 61 1HD2 LEU 61 6.952 -7.636 -1.765 440 3HD2 LEU 61 3HD2 LEU 61 8.479 -8.344 -1.239 441 H ALA 62 H ALA 62 6.257 -4.946 -5.703 442 HA ALA 62 HA ALA 62 6.078 -2.140 -5.793 443 1HB ALA 62 1HB ALA 62 8.771 -3.208 -6.534 444 2HB ALA 62 3HB ALA 62 8.139 -1.800 -7.389 445 3HB ALA 62 2HB ALA 62 8.348 -1.748 -5.638 446 H ILE 63 H ILE 63 4.419 -4.002 -6.874 447 HA ILE 63 HA ILE 63 3.511 -3.200 -9.212 448 HB ILE 63 HB ILE 63 6.132 -4.397 -9.830 449 1HG1 ILE 63 2HG1 ILE 63 5.548 -2.031 -10.229 450 2HG1 ILE 63 1HG1 ILE 63 5.862 -2.846 -11.759 451 1HG2 ILE 63 1HG2 ILE 63 3.717 -4.983 -11.571 452 2HG2 ILE 63 3HG2 ILE 63 5.398 -5.233 -12.042 453 3HG2 ILE 63 2HG2 ILE 63 4.699 -6.184 -10.732 454 1HD1 ILE 63 3HD1 ILE 63 3.076 -3.147 -11.062 455 2HD1 ILE 63 2HD1 ILE 63 3.514 -1.439 -11.002 456 3HD1 ILE 63 1HD1 ILE 63 3.778 -2.366 -12.478 457 HA PRO 64 HA PRO 64 2.550 -7.882 -9.150 458 1HB PRO 64 2HB PRO 64 3.075 -9.155 -6.751 459 2HB PRO 64 1HB PRO 64 4.122 -9.228 -8.185 460 1HG PRO 64 2HG PRO 64 4.498 -7.709 -5.660 461 2HG PRO 64 1HG PRO 64 5.710 -8.269 -6.817 462 1HD PRO 64 2HD PRO 64 4.762 -5.632 -6.575 463 2HD PRO 64 1HD PRO 64 5.697 -6.266 -7.941 464 H GLU 65 H GLU 65 0.494 -8.543 -8.602 465 HA GLU 65 HA GLU 65 -0.821 -7.132 -6.312 466 1HB GLU 65 2HB GLU 65 -1.820 -7.631 -9.130 467 2HB GLU 65 1HB GLU 65 -2.896 -7.150 -7.817 468 1HG GLU 65 2HG GLU 65 -2.298 -5.088 -8.762 469 2HG GLU 65 1HG GLU 65 -1.164 -5.237 -7.425 470 H ASN 66 H ASN 66 -3.258 -8.359 -6.336 471 HA ASN 66 HA ASN 66 -2.794 -10.837 -5.055 472 1HB ASN 66 2HB ASN 66 -4.986 -9.215 -5.455 473 2HB ASN 66 1HB ASN 66 -5.401 -10.643 -6.402 474 1HD2 ASN 66 2HD2 ASN 66 -6.608 -11.595 -3.107 475 2HD2 ASN 66 1HD2 ASN 66 -7.085 -10.693 -4.464 476 H ALA 67 H ALA 67 -3.887 -10.220 -8.410 477 HA ALA 67 HA ALA 67 -4.171 -12.866 -9.279 478 1HB ALA 67 1HB ALA 67 -4.241 -10.444 -10.524 479 2HB ALA 67 3HB ALA 67 -2.729 -11.089 -11.163 480 3HB ALA 67 2HB ALA 67 -4.233 -11.983 -11.386 481 H ALA 68 H ALA 68 -1.210 -11.002 -10.022 482 HA ALA 68 HA ALA 68 1.050 -11.656 -9.853 483 1HB ALA 68 1HB ALA 68 -0.102 -12.946 -7.740 484 2HB ALA 68 3HB ALA 68 0.477 -14.314 -8.692 485 3HB ALA 68 2HB ALA 68 1.609 -13.072 -8.155 486 H ALA 69 H ALA 69 1.658 -12.077 -11.940 487 HA ALA 69 HA ALA 69 1.893 -13.236 -13.977 488 1HB ALA 69 2HB ALA 69 2.169 -15.357 -11.847 489 2HB ALA 69 1HB ALA 69 2.342 -15.752 -13.557 490 3HB ALA 69 3HB ALA 69 3.437 -14.592 -12.805 491 H HIS 70 HN HIS 70 -0.116 -12.991 -15.002 492 HA HIS 70 HA HIS 70 -1.782 -15.401 -15.099 493 1HB HIS 70 2HB HIS 70 -2.499 -13.606 -13.184 494 2HB HIS 70 1HB HIS 70 -3.398 -12.977 -14.564 495 HD1 HIS 70 HD1 HIS 70 -4.208 -14.896 -11.883 496 HD2 HIS 70 HD2 HIS 70 -4.383 -15.761 -15.958 497 HE1 HIS 70 HE1 HIS 70 -5.880 -16.779 -12.143 No H/Q in entry = 497 Start of MODEL 14 1 1H GLU 1 3H GLU 1 14.473 -7.696 -1.439 2 2H GLU 1 2H GLU 1 13.816 -7.015 -2.850 3 3H GLU 1 1H GLU 1 14.816 -6.086 -1.840 4 HA GLU 1 HA GLU 1 13.045 -5.368 -0.754 5 1HB GLU 1 2HB GLU 1 10.873 -5.831 -1.559 6 2HB GLU 1 1HB GLU 1 11.902 -6.067 -2.971 7 1HG GLU 1 2HG GLU 1 10.859 -8.246 -1.133 8 2HG GLU 1 1HG GLU 1 10.322 -7.928 -2.781 9 H THR 2 H THR 2 10.946 -6.474 0.528 10 HA THR 2 HA THR 2 11.875 -8.939 1.884 11 HB THR 2 HB THR 2 10.955 -6.688 3.629 12 HG1 THR 2 HG1 THR 2 12.575 -5.729 2.417 13 1HG2 THR 2 3HG2 THR 2 11.737 -9.274 4.076 14 2HG2 THR 2 2HG2 THR 2 13.244 -8.400 4.355 15 3HG2 THR 2 1HG2 THR 2 11.802 -7.991 5.285 16 H VAL 3 H VAL 3 9.923 -9.522 0.482 17 HA VAL 3 HA VAL 3 7.342 -8.600 0.736 18 HB VAL 3 HB VAL 3 8.261 -10.622 -0.585 19 1HG1 VAL 3 2HG1 VAL 3 9.049 -11.826 1.459 20 2HG1 VAL 3 1HG1 VAL 3 7.365 -12.051 1.933 21 3HG1 VAL 3 3HG1 VAL 3 7.972 -12.797 0.455 22 1HG2 VAL 3 3HG2 VAL 3 5.663 -9.878 0.251 23 2HG2 VAL 3 2HG2 VAL 3 6.100 -10.822 -1.172 24 3HG2 VAL 3 1HG2 VAL 3 5.731 -11.637 0.349 25 H GLU 4 H GLU 4 9.203 -10.285 3.187 26 HA GLU 4 HA GLU 4 7.071 -11.089 4.906 27 1HB GLU 4 2HB GLU 4 9.904 -10.219 5.553 28 2HB GLU 4 1HB GLU 4 8.806 -10.958 6.720 29 1HG GLU 4 2HG GLU 4 9.292 -12.319 4.088 30 2HG GLU 4 1HG GLU 4 10.484 -12.476 5.378 31 H SER 5 H SER 5 8.963 -8.049 4.887 32 HA SER 5 HA SER 5 7.183 -6.903 6.918 33 1HB SER 5 2HB SER 5 9.492 -5.722 5.351 34 2HB SER 5 1HB SER 5 8.603 -4.861 6.606 35 HG SER 5 HG SER 5 9.150 -6.912 7.861 36 H CYS 6 H CYS 6 7.906 -6.260 3.462 37 HA CYS 6 HA CYS 6 6.111 -4.110 3.136 38 1HB CYS 6 2HB CYS 6 6.634 -6.293 1.100 39 2HB CYS 6 1HB CYS 6 6.054 -4.661 0.774 40 H LEU 7 H LEU 7 5.423 -7.440 3.771 41 HA LEU 7 HA LEU 7 2.579 -6.978 3.005 42 1HB LEU 7 2HB LEU 7 4.003 -9.578 3.588 43 2HB LEU 7 1HB LEU 7 2.335 -9.410 3.044 44 HG LEU 7 HG LEU 7 4.869 -8.800 1.519 45 1HD1 LEU 7 3HD1 LEU 7 2.460 -10.577 1.173 46 2HD1 LEU 7 2HD1 LEU 7 3.451 -10.122 -0.213 47 3HD1 LEU 7 1HD1 LEU 7 4.167 -11.013 1.130 48 1HD2 LEU 7 2HD2 LEU 7 2.089 -7.702 1.135 49 2HD2 LEU 7 1HD2 LEU 7 3.637 -6.863 1.018 50 3HD2 LEU 7 3HD2 LEU 7 3.136 -7.974 -0.257 51 H ALA 8 H ALA 8 4.743 -7.805 5.610 52 HA ALA 8 HA ALA 8 2.517 -8.072 7.537 53 1HB ALA 8 3HB ALA 8 4.750 -9.435 7.578 54 2HB ALA 8 2HB ALA 8 5.445 -7.964 8.258 55 3HB ALA 8 1HB ALA 8 4.135 -8.791 9.101 56 H LYS 9 H LYS 9 3.695 -5.662 5.912 57 HA LYS 9 HA LYS 9 4.734 -3.663 7.557 58 1HB LYS 9 2HB LYS 9 3.500 -3.992 4.955 59 2HB LYS 9 1HB LYS 9 2.982 -2.478 5.680 60 1HG LYS 9 2HG LYS 9 5.489 -2.112 6.243 61 2HG LYS 9 1HG LYS 9 5.798 -3.423 5.110 62 1HD LYS 9 2HD LYS 9 4.642 -0.697 4.556 63 2HD LYS 9 1HD LYS 9 6.006 -1.499 3.779 64 1HE LYS 9 2HE LYS 9 4.247 -1.642 2.203 65 2HE LYS 9 1HE LYS 9 4.315 -3.230 2.957 66 1HZ LYS 9 2HZ LYS 9 2.627 -1.363 4.335 67 2HZ LYS 9 1HZ LYS 9 2.106 -1.705 2.757 68 3HZ LYS 9 3HZ LYS 9 2.321 -2.961 3.872 69 HA PRO 10 HA PRO 10 1.298 -2.099 9.862 70 1HB PRO 10 2HB PRO 10 0.960 0.535 9.120 71 2HB PRO 10 1HB PRO 10 2.286 -0.036 10.148 72 1HG PRO 10 2HG PRO 10 2.354 0.786 7.286 73 2HG PRO 10 1HG PRO 10 3.652 0.808 8.493 74 1HD PRO 10 2HD PRO 10 3.313 -1.109 6.455 75 2HD PRO 10 1HD PRO 10 4.398 -1.266 7.851 76 H HIS 11 H HIS 11 1.050 -2.490 6.606 77 HA HIS 11 HA HIS 11 -0.712 -3.001 5.231 78 1HB HIS 11 2HB HIS 11 -2.021 -2.912 7.881 79 2HB HIS 11 1HB HIS 11 -3.084 -2.711 6.484 80 HD1 HIS 11 HD1 HIS 11 -4.107 -5.031 6.384 81 HD2 HIS 11 HD2 HIS 11 0.065 -5.152 6.504 82 HE1 HIS 11 HE1 HIS 11 -3.444 -7.436 5.951 83 H THR 12 H THR 12 -2.670 -2.120 4.331 84 HA THR 12 HA THR 12 -2.647 -0.013 2.898 85 HB THR 12 HB THR 12 -4.612 -1.542 3.721 86 HG1 THR 12 HG1 THR 12 -5.827 -0.542 2.272 87 1HG2 THR 12 1HG2 THR 12 -5.231 1.145 4.958 88 2HG2 THR 12 3HG2 THR 12 -6.420 -0.135 4.719 89 3HG2 THR 12 2HG2 THR 12 -5.058 -0.391 5.807 90 H GLU 13 H GLU 13 -3.599 0.649 6.319 91 HA GLU 13 HA GLU 13 -3.881 3.395 6.068 92 1HB GLU 13 2HB GLU 13 -4.065 2.051 8.229 93 2HB GLU 13 1HB GLU 13 -2.310 2.181 8.363 94 1HG GLU 13 2HG GLU 13 -2.368 4.491 8.687 95 2HG GLU 13 1HG GLU 13 -3.932 4.667 7.890 96 H ASN 14 H ASN 14 -2.596 4.416 4.631 97 HA ASN 14 HA ASN 14 -0.133 5.545 5.333 98 1HB ASN 14 2HB ASN 14 0.257 2.838 4.772 99 2HB ASN 14 1HB ASN 14 0.690 3.642 3.262 100 1HD2 ASN 14 2HD2 ASN 14 2.923 4.408 6.634 101 2HD2 ASN 14 1HD2 ASN 14 1.345 3.804 6.803 102 H SER 15 H SER 15 1.003 5.233 2.546 103 HA SER 15 HA SER 15 -0.950 5.779 0.589 104 1HB SER 15 2HB SER 15 -0.691 8.292 0.474 105 2HB SER 15 1HB SER 15 -1.599 7.709 1.863 106 HG SER 15 HG SER 15 -0.168 8.697 3.025 107 H PHE 16 H PHE 16 0.163 7.529 -1.070 108 HA PHE 16 HA PHE 16 3.021 7.480 -1.205 109 1HB PHE 16 2HB PHE 16 2.910 5.140 -1.641 110 2HB PHE 16 1HB PHE 16 1.505 5.325 -2.690 111 HD1 PHE 16 HD1 PHE 16 5.088 6.373 -2.386 112 HD2 PHE 16 HD2 PHE 16 1.798 5.514 -5.009 113 HE1 PHE 16 HE1 PHE 16 6.582 6.633 -4.347 114 HE2 PHE 16 HE2 PHE 16 3.290 5.776 -6.969 115 HZ PHE 16 HZ PHE 16 5.684 6.331 -6.640 116 H THR 17 H THR 17 3.679 8.862 -2.938 117 HA THR 17 HA THR 17 1.397 10.050 -4.422 118 HB THR 17 HB THR 17 2.436 11.905 -3.602 119 HG1 THR 17 HG1 THR 17 4.150 12.561 -5.132 120 1HG2 THR 17 3HG2 THR 17 5.066 10.397 -3.711 121 2HG2 THR 17 2HG2 THR 17 4.837 12.008 -3.031 122 3HG2 THR 17 1HG2 THR 17 4.062 10.615 -2.278 123 H ASN 18 H ASN 18 1.708 10.548 -6.741 124 HA ASN 18 HA ASN 18 2.458 9.998 -8.918 125 1HB ASN 18 2HB ASN 18 4.753 9.621 -7.388 126 2HB ASN 18 1HB ASN 18 4.510 8.050 -8.155 127 1HD2 ASN 18 2HD2 ASN 18 6.286 10.694 -10.387 128 2HD2 ASN 18 1HD2 ASN 18 6.430 10.475 -8.710 129 H VAL 19 H VAL 19 1.067 8.181 -6.642 130 HA VAL 19 HA VAL 19 1.097 5.505 -7.162 131 HB VAL 19 HB VAL 19 -1.347 7.276 -6.891 132 1HG1 VAL 19 1HG1 VAL 19 -1.923 5.056 -7.823 133 2HG1 VAL 19 3HG1 VAL 19 -1.068 4.282 -6.490 134 3HG1 VAL 19 2HG1 VAL 19 -2.517 5.237 -6.175 135 1HG2 VAL 19 2HG2 VAL 19 0.624 7.013 -5.102 136 2HG2 VAL 19 1HG2 VAL 19 -1.067 7.111 -4.610 137 3HG2 VAL 19 3HG2 VAL 19 -0.269 5.541 -4.713 138 H TRP 20 H TRP 20 -0.238 4.119 -8.552 139 HA TRP 20 HA TRP 20 -1.079 5.357 -11.117 140 1HB TRP 20 2HB TRP 20 0.360 4.135 -12.431 141 2HB TRP 20 1HB TRP 20 1.355 4.161 -10.980 142 HD1 TRP 20 HD1 TRP 20 -0.849 1.883 -13.078 143 HE1 TRP 20 HE1 TRP 20 -0.555 -0.552 -12.295 144 HE3 TRP 20 HE3 TRP 20 2.012 2.642 -8.916 145 HZ2 TRP 20 HZ2 TRP 20 0.747 -1.990 -10.195 146 HZ3 TRP 20 HZ3 TRP 20 2.772 0.719 -7.549 147 HH2 TRP 20 HH2 TRP 20 2.145 -1.594 -8.183 148 H LYS 21 H LYS 21 -1.997 3.216 -12.451 149 HA LYS 21 HA LYS 21 -3.496 1.478 -10.590 150 1HB LYS 21 2HB LYS 21 -4.912 3.541 -11.022 151 2HB LYS 21 1HB LYS 21 -4.956 3.061 -12.721 152 1HG LYS 21 2HG LYS 21 -5.631 0.710 -11.610 153 2HG LYS 21 1HG LYS 21 -6.252 1.790 -10.360 154 1HD LYS 21 2HD LYS 21 -7.981 1.315 -12.061 155 2HD LYS 21 1HD LYS 21 -7.546 3.025 -12.059 156 1HE LYS 21 2HE LYS 21 -5.750 1.709 -13.827 157 2HE LYS 21 1HE LYS 21 -7.374 1.144 -14.220 158 1HZ LYS 21 1HZ LYS 21 -8.035 3.562 -14.150 159 2HZ LYS 21 3HZ LYS 21 -6.380 3.931 -14.141 160 3HZ LYS 21 2HZ LYS 21 -7.055 3.094 -15.457 161 H ASP 22 H ASP 22 -3.068 -0.516 -11.399 162 HA ASP 22 HA ASP 22 -2.486 -0.797 -14.274 163 1HB ASP 22 2HB ASP 22 -1.584 -2.059 -11.897 164 2HB ASP 22 1HB ASP 22 -2.422 -3.288 -12.843 165 H ASP 23 H ASP 23 -3.959 -1.537 -15.683 166 HA ASP 23 HA ASP 23 -6.594 -2.424 -14.756 167 1HB ASP 23 2HB ASP 23 -5.891 -1.088 -16.965 168 2HB ASP 23 1HB ASP 23 -5.709 -2.722 -17.605 169 H LYS 24 H LYS 24 -3.550 -3.773 -15.532 170 HA LYS 24 HA LYS 24 -4.470 -6.447 -16.248 171 1HB LYS 24 2HB LYS 24 -2.237 -5.428 -16.909 172 2HB LYS 24 1HB LYS 24 -1.754 -5.571 -15.217 173 1HG LYS 24 2HG LYS 24 -2.885 -8.068 -16.150 174 2HG LYS 24 1HG LYS 24 -1.567 -7.562 -17.208 175 1HD LYS 24 2HD LYS 24 -0.783 -7.062 -14.501 176 2HD LYS 24 1HD LYS 24 -1.380 -8.719 -14.608 177 1HE LYS 24 2HE LYS 24 0.222 -9.329 -16.209 178 2HE LYS 24 1HE LYS 24 0.514 -7.659 -16.692 179 1HZ LYS 24 3HZ LYS 24 1.178 -7.608 -14.095 180 2HZ LYS 24 2HZ LYS 24 1.660 -9.182 -14.521 181 3HZ LYS 24 1HZ LYS 24 2.285 -7.841 -15.358 182 H THR 25 H THR 25 -2.807 -5.005 -13.450 183 HA THR 25 HA THR 25 -3.199 -7.292 -11.750 184 HB THR 25 HB THR 25 -2.372 -5.864 -9.980 185 HG1 THR 25 HG1 THR 25 -2.096 -3.542 -10.715 186 1HG2 THR 25 2HG2 THR 25 -1.171 -5.589 -12.693 187 2HG2 THR 25 1HG2 THR 25 -0.513 -4.589 -11.397 188 3HG2 THR 25 3HG2 THR 25 -0.510 -6.346 -11.244 189 H LEU 26 H LEU 26 -5.117 -4.530 -12.628 190 HA LEU 26 HA LEU 26 -7.412 -4.153 -12.277 191 1HB LEU 26 2HB LEU 26 -7.019 -6.930 -11.675 192 2HB LEU 26 1HB LEU 26 -8.151 -6.248 -10.510 193 HG LEU 26 HG LEU 26 -9.204 -7.144 -12.625 194 1HD1 LEU 26 1HD1 LEU 26 -9.534 -4.403 -11.511 195 2HD1 LEU 26 3HD1 LEU 26 -10.369 -4.744 -13.026 196 3HD1 LEU 26 2HD1 LEU 26 -10.695 -5.729 -11.600 197 1HD2 LEU 26 2HD2 LEU 26 -7.276 -6.181 -14.046 198 2HD2 LEU 26 1HD2 LEU 26 -8.911 -6.013 -14.685 199 3HD2 LEU 26 3HD2 LEU 26 -8.122 -4.639 -13.915 200 H ASP 27 H ASP 27 -6.061 -2.492 -10.765 201 HA ASP 27 HA ASP 27 -7.631 -1.899 -8.541 202 1HB ASP 27 2HB ASP 27 -5.965 -4.188 -8.045 203 2HB ASP 27 1HB ASP 27 -5.481 -2.871 -6.977 204 H ARG 28 H ARG 28 -6.512 -0.388 -6.926 205 HA ARG 28 HA ARG 28 -4.595 1.281 -8.415 206 1HB ARG 28 2HB ARG 28 -6.580 2.054 -6.865 207 2HB ARG 28 1HB ARG 28 -5.427 1.772 -5.561 208 1HG ARG 28 2HG ARG 28 -4.491 3.772 -5.987 209 2HG ARG 28 1HG ARG 28 -4.046 3.199 -7.595 210 1HD ARG 28 2HD ARG 28 -5.439 5.277 -7.663 211 2HD ARG 28 1HD ARG 28 -6.194 3.918 -8.497 212 HE ARG 28 HE ARG 28 -6.987 4.262 -5.680 213 1HH1 ARG 28 1HH2 ARG 28 -7.476 5.709 -8.716 214 2HH1 ARG 28 2HH2 ARG 28 -9.205 5.658 -8.638 215 1HH2 ARG 28 2HH1 ARG 28 -9.286 3.824 -5.696 216 2HH2 ARG 28 1HH1 ARG 28 -10.229 4.591 -6.930 217 H TYR 29 H TYR 29 -2.398 1.589 -7.736 218 HA TYR 29 HA TYR 29 -1.488 -0.013 -5.412 219 1HB TYR 29 2HB TYR 29 -0.464 -0.376 -8.237 220 2HB TYR 29 1HB TYR 29 0.297 -1.067 -6.805 221 HD1 TYR 29 HD2 TYR 29 -0.881 -2.786 -5.460 222 HD2 TYR 29 HD1 TYR 29 -2.515 -1.287 -9.137 223 HE1 TYR 29 HE2 TYR 29 -2.433 -4.715 -5.555 224 HE2 TYR 29 HE1 TYR 29 -4.070 -3.217 -9.231 225 HH TYR 29 HH TYR 29 -4.472 -5.295 -8.367 226 H ALA 30 H ALA 30 0.631 0.570 -4.679 227 HA ALA 30 HA ALA 30 1.780 3.035 -5.913 228 1HB ALA 30 1HB ALA 30 0.734 2.652 -3.166 229 2HB ALA 30 3HB ALA 30 2.317 3.424 -3.267 230 3HB ALA 30 2HB ALA 30 0.934 4.136 -4.096 231 H ASN 31 H ASN 31 3.729 2.277 -6.636 232 HA ASN 31 HA ASN 31 5.107 0.054 -5.430 233 1HB ASN 31 2HB ASN 31 6.998 0.759 -6.927 234 2HB ASN 31 1HB ASN 31 5.464 0.553 -7.773 235 1HD2 ASN 31 2HD2 ASN 31 5.117 4.010 -8.553 236 2HD2 ASN 31 1HD2 ASN 31 4.309 2.520 -8.455 237 H TYR 32 H TYR 32 5.493 0.507 -3.230 238 HA TYR 32 HA TYR 32 6.921 2.965 -2.484 239 1HB TYR 32 2HB TYR 32 5.141 1.772 -1.060 240 2HB TYR 32 1HB TYR 32 6.397 0.589 -0.695 241 HD1 TYR 32 HD1 TYR 32 6.612 4.292 -1.182 242 HD2 TYR 32 HD2 TYR 32 7.073 0.985 1.520 243 HE1 TYR 32 HE1 TYR 32 7.560 5.819 0.525 244 HE2 TYR 32 HE2 TYR 32 8.018 2.513 3.228 245 HH TYR 32 HH TYR 32 7.835 5.046 3.727 246 H GLU 33 H GLU 33 8.557 1.819 -4.232 247 HA GLU 33 HA GLU 33 10.556 0.565 -4.575 248 1HB GLU 33 2HB GLU 33 10.795 2.883 -2.959 249 2HB GLU 33 1HB GLU 33 11.904 1.680 -2.302 250 1HG GLU 33 2HG GLU 33 12.619 1.281 -4.755 251 2HG GLU 33 1HG GLU 33 11.815 2.814 -5.095 252 H GLY 34 H GLY 34 10.296 -1.631 -4.103 253 1HA GLY 34 2HA GLY 34 11.226 -3.487 -2.869 254 2HA GLY 34 1HA GLY 34 11.314 -2.458 -1.441 255 H CYS 35 H CYS 35 8.519 -1.479 -1.895 256 HA CYS 35 HA CYS 35 7.047 -3.989 -1.184 257 1HB CYS 35 2HB CYS 35 6.597 -1.293 0.122 258 2HB CYS 35 1HB CYS 35 5.911 -2.843 0.604 259 H LEU 36 H LEU 36 4.771 -3.942 -1.734 260 HA LEU 36 HA LEU 36 4.009 -1.715 -3.576 261 1HB LEU 36 2HB LEU 36 4.553 -3.856 -4.786 262 2HB LEU 36 1HB LEU 36 3.240 -4.626 -3.920 263 HG LEU 36 HG LEU 36 2.896 -3.540 -6.347 264 1HD1 LEU 36 2HD1 LEU 36 1.301 -4.653 -4.549 265 2HD1 LEU 36 1HD1 LEU 36 0.707 -3.004 -4.403 266 3HD1 LEU 36 3HD1 LEU 36 0.650 -3.825 -5.960 267 1HD2 LEU 36 3HD2 LEU 36 3.580 -1.256 -5.333 268 2HD2 LEU 36 2HD2 LEU 36 2.113 -1.299 -6.311 269 3HD2 LEU 36 1HD2 LEU 36 1.999 -1.278 -4.552 270 H TRP 37 H TRP 37 2.298 -0.658 -2.735 271 HA TRP 37 HA TRP 37 0.478 -2.082 -0.869 272 1HB TRP 37 2HB TRP 37 0.505 0.873 -1.589 273 2HB TRP 37 1HB TRP 37 -0.361 0.100 -0.271 274 HD1 TRP 37 HD1 TRP 37 3.355 0.060 -1.374 275 HE1 TRP 37 HE1 TRP 37 4.783 0.426 0.741 276 HE3 TRP 37 HE3 TRP 37 -0.347 0.486 2.109 277 HZ2 TRP 37 HZ2 TRP 37 4.388 0.844 3.554 278 HZ3 TRP 37 HZ3 TRP 37 0.190 0.856 4.488 279 HH2 TRP 37 HH2 TRP 37 2.557 1.047 5.222 280 H ASN 38 H ASN 38 -1.933 -1.379 -1.163 281 HA ASN 38 HA ASN 38 -2.629 -1.082 -4.034 282 1HB ASN 38 2HB ASN 38 -2.993 -3.319 -4.159 283 2HB ASN 38 1HB ASN 38 -2.913 -3.516 -2.413 284 1HD2 ASN 38 2HD2 ASN 38 -6.607 -2.413 -3.856 285 2HD2 ASN 38 1HD2 ASN 38 -5.224 -1.620 -4.437 286 H ALA 39 H ALA 39 -4.004 0.579 -4.129 287 HA ALA 39 HA ALA 39 -5.646 1.301 -1.784 288 1HB ALA 39 1HB ALA 39 -4.553 2.688 -4.094 289 2HB ALA 39 3HB ALA 39 -6.277 3.016 -3.915 290 3HB ALA 39 2HB ALA 39 -5.172 3.358 -2.584 291 H THR 40 H THR 40 -7.865 1.123 -1.736 292 HA THR 40 HA THR 40 -9.286 0.196 -4.170 293 HB THR 40 HB THR 40 -8.873 -1.916 -3.226 294 HG1 THR 40 HG1 THR 40 -10.865 -2.512 -2.321 295 1HG2 THR 40 1HG2 THR 40 -8.420 -0.422 -0.852 296 2HG2 THR 40 3HG2 THR 40 -9.664 -1.613 -0.477 297 3HG2 THR 40 2HG2 THR 40 -8.109 -2.136 -1.123 298 H GLY 41 H GLY 41 -9.838 0.748 -0.663 299 1HA GLY 41 2HA GLY 41 -12.532 1.607 -0.933 300 2HA GLY 41 1HA GLY 41 -11.480 2.024 0.420 301 H VAL 42 H VAL 42 -12.940 4.071 0.017 302 HA VAL 42 HA VAL 42 -12.412 5.791 -2.196 303 HB VAL 42 HB VAL 42 -14.251 6.006 -0.416 304 1HG1 VAL 42 1HG1 VAL 42 -12.157 6.121 1.330 305 2HG1 VAL 42 3HG1 VAL 42 -12.492 7.837 1.101 306 3HG1 VAL 42 2HG1 VAL 42 -13.764 6.761 1.679 307 1HG2 VAL 42 1HG2 VAL 42 -12.585 8.258 -1.510 308 2HG2 VAL 42 3HG2 VAL 42 -14.208 7.749 -1.975 309 3HG2 VAL 42 2HG2 VAL 42 -13.956 8.620 -0.463 310 H VAL 43 H VAL 43 -10.776 7.265 -2.573 311 HA VAL 43 HA VAL 43 -8.786 7.762 -0.424 312 HB VAL 43 HB VAL 43 -7.857 7.046 -3.202 313 1HG1 VAL 43 2HG1 VAL 43 -6.575 6.929 -0.455 314 2HG1 VAL 43 1HG1 VAL 43 -5.781 6.511 -1.973 315 3HG1 VAL 43 3HG1 VAL 43 -6.287 8.173 -1.672 316 1HG2 VAL 43 1HG2 VAL 43 -8.640 5.218 -0.940 317 2HG2 VAL 43 3HG2 VAL 43 -8.964 5.044 -2.665 318 3HG2 VAL 43 2HG2 VAL 43 -7.340 4.760 -2.040 319 H VAL 44 H VAL 44 -7.332 9.615 -1.022 320 HA VAL 44 HA VAL 44 -8.820 11.524 -2.776 321 HB VAL 44 HB VAL 44 -8.437 12.134 -0.349 322 1HG1 VAL 44 3HG1 VAL 44 -6.187 11.120 -0.152 323 2HG1 VAL 44 2HG1 VAL 44 -5.557 12.313 -1.289 324 3HG1 VAL 44 1HG1 VAL 44 -6.162 12.827 0.287 325 1HG2 VAL 44 3HG2 VAL 44 -8.606 13.743 -2.426 326 2HG2 VAL 44 2HG2 VAL 44 -8.114 14.393 -0.862 327 3HG2 VAL 44 1HG2 VAL 44 -6.900 14.042 -2.093 328 H CYS 45 H CYS 45 -7.789 12.387 -4.565 329 HA CYS 45 HA CYS 45 -4.879 11.804 -4.852 330 1HB CYS 45 2HB CYS 45 -7.049 11.329 -6.911 331 2HB CYS 45 1HB CYS 45 -5.327 11.342 -7.291 332 H THR 46 H THR 46 -3.750 13.291 -6.255 333 HA THR 46 HA THR 46 -5.248 15.671 -7.173 334 HB THR 46 HB THR 46 -4.484 16.048 -4.768 335 HG1 THR 46 HG1 THR 46 -4.810 17.894 -5.789 336 1HG2 THR 46 3HG2 THR 46 -2.188 14.858 -5.547 337 2HG2 THR 46 2HG2 THR 46 -1.741 16.547 -5.786 338 3HG2 THR 46 1HG2 THR 46 -2.271 15.991 -4.198 339 H GLY 47 H GLY 47 -3.902 17.028 -8.603 340 1HA GLY 47 2HA GLY 47 -2.340 17.300 -10.336 341 2HA GLY 47 1HA GLY 47 -1.251 16.272 -9.399 342 H ASP 48 H ASP 48 -4.000 16.158 -11.665 343 HA ASP 48 HA ASP 48 -4.575 14.493 -13.233 344 1HB ASP 48 2HB ASP 48 -1.682 14.507 -13.034 345 2HB ASP 48 1HB ASP 48 -2.277 12.876 -13.340 346 H GLU 49 H GLU 49 -4.423 14.064 -10.143 347 HA GLU 49 HA GLU 49 -5.012 12.360 -8.681 348 1HB GLU 49 2HB GLU 49 -5.906 11.256 -11.335 349 2HB GLU 49 1HB GLU 49 -5.994 10.247 -9.889 350 1HG GLU 49 2HG GLU 49 -7.856 11.313 -9.214 351 2HG GLU 49 1HG GLU 49 -7.025 12.867 -9.283 352 H THR 50 H THR 50 -2.288 12.568 -9.472 353 HA THR 50 HA THR 50 -1.409 9.758 -9.855 354 HB THR 50 HB THR 50 0.912 11.016 -9.828 355 HG1 THR 50 HG1 THR 50 -0.306 12.986 -9.185 356 1HG2 THR 50 3HG2 THR 50 -1.185 10.940 -11.978 357 2HG2 THR 50 2HG2 THR 50 0.381 11.684 -12.300 358 3HG2 THR 50 1HG2 THR 50 0.291 9.985 -11.833 359 H GLN 51 H GLN 51 -1.319 12.379 -7.464 360 HA GLN 51 HA GLN 51 0.134 10.547 -5.622 361 1HB GLN 51 2HB GLN 51 -0.602 13.366 -4.898 362 2HB GLN 51 1HB GLN 51 0.788 12.409 -4.383 363 1HG GLN 51 2HG GLN 51 1.852 12.648 -6.526 364 2HG GLN 51 1HG GLN 51 0.396 13.347 -7.236 365 1HE2 GLN 51 2HE2 GLN 51 2.751 15.682 -4.810 366 2HE2 GLN 51 1HE2 GLN 51 2.895 13.993 -4.732 367 H CYS 52 H CYS 52 -0.925 9.756 -3.772 368 HA CYS 52 HA CYS 52 -3.563 10.897 -3.138 369 1HB CYS 52 2HB CYS 52 -3.349 7.937 -3.703 370 2HB CYS 52 1HB CYS 52 -4.811 8.880 -3.433 371 H TYR 53 H TYR 53 -4.518 9.953 -1.173 372 HA TYR 53 HA TYR 53 -2.628 8.484 0.568 373 1HB TYR 53 2HB TYR 53 -2.145 10.576 1.463 374 2HB TYR 53 1HB TYR 53 -3.721 11.234 1.036 375 HD1 TYR 53 HD1 TYR 53 -2.144 8.684 3.305 376 HD2 TYR 53 HD2 TYR 53 -5.369 11.453 2.688 377 HE1 TYR 53 HE1 TYR 53 -2.973 8.224 5.598 378 HE2 TYR 53 HE2 TYR 53 -6.192 10.999 4.982 379 HH TYR 53 HH TYR 53 -4.609 9.897 7.319 380 H GLY 54 H GLY 54 -3.711 7.227 2.186 381 1HA GLY 54 2HA GLY 54 -6.228 7.207 3.161 382 2HA GLY 54 1HA GLY 54 -6.530 6.659 1.511 383 H THR 55 H THR 55 -6.642 4.480 1.376 384 HA THR 55 HA THR 55 -4.908 2.881 3.228 385 HB THR 55 HB THR 55 -6.697 1.074 2.870 386 HG1 THR 55 HG1 THR 55 -7.543 2.610 1.078 387 1HG2 THR 55 1HG2 THR 55 -6.488 3.119 4.707 388 2HG2 THR 55 3HG2 THR 55 -8.163 3.246 4.170 389 3HG2 THR 55 2HG2 THR 55 -7.564 1.729 4.841 390 H TRP 56 H TRP 56 -3.530 1.546 2.307 391 HA TRP 56 HA TRP 56 -3.844 0.754 -0.546 392 1HB TRP 56 2HB TRP 56 -1.288 1.559 0.820 393 2HB TRP 56 1HB TRP 56 -1.521 1.225 -0.901 394 HD1 TRP 56 HD1 TRP 56 -2.695 3.744 1.777 395 HE1 TRP 56 HE1 TRP 56 -3.244 5.959 0.590 396 HE3 TRP 56 HE3 TRP 56 -1.936 2.319 -3.040 397 HZ2 TRP 56 HZ2 TRP 56 -3.345 6.993 -2.103 398 HZ3 TRP 56 HZ3 TRP 56 -2.263 3.907 -4.905 399 HH2 TRP 56 HH2 TRP 56 -2.964 6.251 -4.446 400 H VAL 57 H VAL 57 -4.638 -1.232 0.877 401 HA VAL 57 HA VAL 57 -3.020 -2.650 2.628 402 HB VAL 57 HB VAL 57 -4.934 -3.605 0.496 403 1HG1 VAL 57 2HG1 VAL 57 -3.086 -5.243 2.209 404 2HG1 VAL 57 1HG1 VAL 57 -4.709 -5.847 1.877 405 3HG1 VAL 57 3HG1 VAL 57 -3.601 -5.519 0.544 406 1HG2 VAL 57 3HG2 VAL 57 -4.903 -3.393 3.511 407 2HG2 VAL 57 2HG2 VAL 57 -6.018 -2.635 2.375 408 3HG2 VAL 57 1HG2 VAL 57 -6.100 -4.373 2.663 409 HA PRO 58 HA PRO 58 0.569 -3.598 0.226 410 1HB PRO 58 2HB PRO 58 1.741 -5.225 2.124 411 2HB PRO 58 1HB PRO 58 1.791 -3.452 2.173 412 1HG PRO 58 2HG PRO 58 0.143 -5.338 3.803 413 2HG PRO 58 1HG PRO 58 0.725 -3.715 4.221 414 1HD PRO 58 2HD PRO 58 -1.895 -4.341 3.404 415 2HD PRO 58 1HD PRO 58 -1.177 -2.717 3.414 416 H ILE 59 H ILE 59 0.717 -5.152 -1.339 417 HA ILE 59 HA ILE 59 -0.405 -7.843 -0.709 418 HB ILE 59 HB ILE 59 -1.070 -7.964 -3.117 419 1HG1 ILE 59 2HG1 ILE 59 0.622 -6.098 -3.706 420 2HG1 ILE 59 1HG1 ILE 59 -0.933 -6.077 -4.534 421 1HG2 ILE 59 1HG2 ILE 59 -2.207 -6.017 -1.159 422 2HG2 ILE 59 3HG2 ILE 59 -2.855 -6.003 -2.799 423 3HG2 ILE 59 2HG2 ILE 59 -2.925 -7.479 -1.835 424 1HD1 ILE 59 3HD1 ILE 59 -1.199 -4.611 -2.083 425 2HD1 ILE 59 2HD1 ILE 59 0.221 -4.025 -2.939 426 3HD1 ILE 59 1HD1 ILE 59 -1.346 -4.020 -3.737 427 H GLY 60 H GLY 60 2.221 -6.019 -2.287 428 1HA GLY 60 2HA GLY 60 3.666 -8.601 -2.398 429 2HA GLY 60 1HA GLY 60 3.425 -7.803 -3.939 430 H LEU 61 H LEU 61 5.690 -7.611 -4.195 431 HA LEU 61 HA LEU 61 7.223 -6.046 -2.234 432 1HB LEU 61 2HB LEU 61 8.194 -7.039 -4.914 433 2HB LEU 61 1HB LEU 61 9.144 -6.676 -3.474 434 HG LEU 61 HG LEU 61 7.047 -8.859 -3.585 435 1HD1 LEU 61 1HD1 LEU 61 9.585 -8.827 -4.824 436 2HD1 LEU 61 3HD1 LEU 61 9.770 -9.793 -3.360 437 3HD1 LEU 61 2HD1 LEU 61 8.548 -10.228 -4.555 438 1HD2 LEU 61 3HD2 LEU 61 8.371 -7.586 -1.453 439 2HD2 LEU 61 2HD2 LEU 61 7.449 -9.087 -1.381 440 3HD2 LEU 61 1HD2 LEU 61 9.190 -9.135 -1.653 441 H ALA 62 H ALA 62 6.018 -5.559 -5.604 442 HA ALA 62 HA ALA 62 6.363 -2.683 -5.139 443 1HB ALA 62 1HB ALA 62 8.132 -4.206 -7.017 444 2HB ALA 62 3HB ALA 62 7.749 -2.512 -7.328 445 3HB ALA 62 2HB ALA 62 8.562 -2.974 -5.830 446 H ILE 63 H ILE 63 5.958 -4.820 -8.056 447 HA ILE 63 HA ILE 63 3.633 -3.043 -8.671 448 HB ILE 63 HB ILE 63 5.965 -3.419 -10.134 449 1HG1 ILE 63 2HG1 ILE 63 4.312 -1.509 -10.094 450 2HG1 ILE 63 1HG1 ILE 63 4.928 -1.916 -11.694 451 1HG2 ILE 63 2HG2 ILE 63 4.763 -5.646 -10.838 452 2HG2 ILE 63 1HG2 ILE 63 3.779 -4.582 -11.840 453 3HG2 ILE 63 3HG2 ILE 63 5.526 -4.642 -12.072 454 1HD1 ILE 63 3HD1 ILE 63 2.304 -2.922 -10.561 455 2HD1 ILE 63 2HD1 ILE 63 2.454 -1.563 -11.677 456 3HD1 ILE 63 1HD1 ILE 63 2.908 -3.188 -12.195 457 HA PRO 64 HA PRO 64 2.366 -7.641 -9.304 458 1HB PRO 64 2HB PRO 64 1.955 -8.678 -6.800 459 2HB PRO 64 1HB PRO 64 3.469 -8.889 -7.701 460 1HG PRO 64 2HG PRO 64 2.870 -7.045 -5.422 461 2HG PRO 64 1HG PRO 64 4.395 -7.848 -5.838 462 1HD PRO 64 2HD PRO 64 3.807 -5.168 -6.364 463 2HD PRO 64 1HD PRO 64 5.053 -6.121 -7.194 464 H GLU 65 H GLU 65 0.155 -8.373 -8.995 465 HA GLU 65 HA GLU 65 -1.686 -6.202 -8.359 466 1HB GLU 65 2HB GLU 65 -3.413 -7.673 -9.160 467 2HB GLU 65 1HB GLU 65 -2.017 -7.924 -10.209 468 1HG GLU 65 2HG GLU 65 -1.541 -9.718 -8.172 469 2HG GLU 65 1HG GLU 65 -3.297 -9.783 -8.328 470 H ASN 66 H ASN 66 -3.763 -8.043 -7.306 471 HA ASN 66 HA ASN 66 -3.323 -7.612 -4.510 472 1HB ASN 66 2HB ASN 66 -5.343 -9.077 -6.159 473 2HB ASN 66 1HB ASN 66 -5.282 -9.413 -4.428 474 1HD2 ASN 66 2HD2 ASN 66 -6.981 -6.451 -3.620 475 2HD2 ASN 66 1HD2 ASN 66 -6.525 -8.025 -3.176 476 H ALA 67 H ALA 67 -2.954 -10.498 -6.557 477 HA ALA 67 HA ALA 67 -2.006 -12.039 -4.210 478 1HB ALA 67 2HB ALA 67 -3.286 -12.691 -6.681 479 2HB ALA 67 1HB ALA 67 -1.721 -13.502 -6.647 480 3HB ALA 67 3HB ALA 67 -2.881 -13.770 -5.346 481 H ALA 68 H ALA 68 -0.054 -13.628 -5.154 482 HA ALA 68 HA ALA 68 2.035 -11.744 -6.176 483 1HB ALA 68 1HB ALA 68 1.945 -13.020 -3.665 484 2HB ALA 68 3HB ALA 68 3.132 -13.922 -4.609 485 3HB ALA 68 2HB ALA 68 3.325 -12.185 -4.378 486 H ALA 69 H ALA 69 2.656 -12.417 -8.172 487 HA ALA 69 HA ALA 69 2.146 -15.135 -9.089 488 1HB ALA 69 2HB ALA 69 2.081 -13.071 -10.555 489 2HB ALA 69 1HB ALA 69 3.840 -13.015 -10.435 490 3HB ALA 69 3HB ALA 69 3.051 -14.397 -11.197 491 H HIS 70 HN HIS 70 5.118 -13.232 -8.491 492 HA HIS 70 HA HIS 70 6.807 -15.586 -8.842 493 1HB HIS 70 2HB HIS 70 7.193 -12.701 -8.295 494 2HB HIS 70 1HB HIS 70 8.413 -13.767 -7.601 495 HD1 HIS 70 HD1 HIS 70 10.261 -13.165 -9.287 496 HD2 HIS 70 HD2 HIS 70 6.787 -14.589 -11.098 497 HE1 HIS 70 HE1 HIS 70 10.845 -13.603 -11.712 No H/Q in entry = 497 Start of MODEL 15 1 1H GLU 1 1H GLU 1 13.594 -7.506 -0.153 2 2H GLU 1 3H GLU 1 13.818 -6.052 -0.994 3 3H GLU 1 2H GLU 1 14.221 -6.150 0.653 4 HA GLU 1 HA GLU 1 12.221 -5.080 0.767 5 1HB GLU 1 2HB GLU 1 10.414 -5.400 -0.743 6 2HB GLU 1 1HB GLU 1 11.869 -5.373 -1.730 7 1HG GLU 1 2HG GLU 1 10.521 -7.910 -0.754 8 2HG GLU 1 1HG GLU 1 10.282 -7.210 -2.353 9 H THR 2 H THR 2 12.211 -8.613 0.213 10 HA THR 2 HA THR 2 11.424 -10.323 1.606 11 HB THR 2 HB THR 2 10.861 -8.475 3.861 12 HG1 THR 2 HG1 THR 2 13.491 -8.990 2.942 13 1HG2 THR 2 1HG2 THR 2 11.734 -11.221 3.365 14 2HG2 THR 2 3HG2 THR 2 12.705 -10.416 4.599 15 3HG2 THR 2 2HG2 THR 2 10.955 -10.531 4.790 16 H VAL 3 H VAL 3 9.466 -10.717 0.523 17 HA VAL 3 HA VAL 3 7.166 -9.097 0.546 18 HB VAL 3 HB VAL 3 7.006 -12.106 0.715 19 1HG1 VAL 3 2HG1 VAL 3 5.272 -9.910 -0.066 20 2HG1 VAL 3 1HG1 VAL 3 5.466 -11.064 -1.385 21 3HG1 VAL 3 3HG1 VAL 3 4.872 -11.609 0.183 22 1HG2 VAL 3 3HG2 VAL 3 8.164 -10.373 -1.457 23 2HG2 VAL 3 2HG2 VAL 3 8.756 -11.913 -0.836 24 3HG2 VAL 3 1HG2 VAL 3 7.333 -11.871 -1.875 25 H GLU 4 H GLU 4 8.483 -11.174 3.032 26 HA GLU 4 HA GLU 4 6.156 -11.438 4.670 27 1HB GLU 4 2HB GLU 4 8.551 -12.531 4.851 28 2HB GLU 4 1HB GLU 4 8.884 -11.134 5.878 29 1HG GLU 4 2HG GLU 4 8.067 -12.595 7.475 30 2HG GLU 4 1HG GLU 4 6.556 -11.835 6.972 31 H SER 5 H SER 5 8.671 -8.931 4.530 32 HA SER 5 HA SER 5 7.381 -7.422 6.698 33 1HB SER 5 2HB SER 5 9.629 -7.007 6.874 34 2HB SER 5 1HB SER 5 9.911 -7.243 5.151 35 HG SER 5 HG SER 5 9.193 -4.965 6.567 36 H CYS 6 H CYS 6 8.124 -6.766 3.237 37 HA CYS 6 HA CYS 6 6.787 -4.322 3.008 38 1HB CYS 6 2HB CYS 6 6.876 -6.626 1.045 39 2HB CYS 6 1HB CYS 6 6.184 -5.058 0.647 40 H LEU 7 H LEU 7 5.443 -7.506 3.489 41 HA LEU 7 HA LEU 7 2.700 -6.522 2.978 42 1HB LEU 7 2HB LEU 7 3.698 -9.275 3.753 43 2HB LEU 7 1HB LEU 7 2.039 -8.874 3.303 44 HG LEU 7 HG LEU 7 4.493 -8.588 1.543 45 1HD1 LEU 7 1HD1 LEU 7 2.072 -10.414 1.433 46 2HD1 LEU 7 3HD1 LEU 7 3.282 -10.280 0.156 47 3HD1 LEU 7 2HD1 LEU 7 3.739 -10.899 1.742 48 1HD2 LEU 7 3HD2 LEU 7 1.806 -7.400 1.446 49 2HD2 LEU 7 2HD2 LEU 7 3.269 -6.944 0.574 50 3HD2 LEU 7 1HD2 LEU 7 2.252 -8.253 -0.032 51 H ALA 8 H ALA 8 4.745 -7.607 5.628 52 HA ALA 8 HA ALA 8 2.683 -7.567 7.652 53 1HB ALA 8 2HB ALA 8 5.025 -8.651 7.796 54 2HB ALA 8 1HB ALA 8 5.616 -7.029 8.156 55 3HB ALA 8 3HB ALA 8 4.449 -7.800 9.229 56 H LYS 9 H LYS 9 4.161 -5.189 5.827 57 HA LYS 9 HA LYS 9 4.621 -2.948 7.365 58 1HB LYS 9 2HB LYS 9 3.495 -3.519 4.660 59 2HB LYS 9 1HB LYS 9 3.336 -1.873 5.240 60 1HG LYS 9 2HG LYS 9 5.885 -2.173 5.879 61 2HG LYS 9 1HG LYS 9 5.820 -3.451 4.666 62 1HD LYS 9 2HD LYS 9 4.895 -1.810 3.033 63 2HD LYS 9 1HD LYS 9 5.093 -0.541 4.245 64 1HE LYS 9 2HE LYS 9 7.535 -2.076 3.973 65 2HE LYS 9 1HE LYS 9 7.030 -1.431 2.411 66 1HZ LYS 9 1HZ LYS 9 6.641 0.554 4.336 67 2HZ LYS 9 3HZ LYS 9 8.204 -0.068 4.560 68 3HZ LYS 9 2HZ LYS 9 7.744 0.549 3.044 69 HA PRO 10 HA PRO 10 0.756 -1.605 9.040 70 1HB PRO 10 2HB PRO 10 0.500 1.010 8.180 71 2HB PRO 10 1HB PRO 10 1.598 0.505 9.476 72 1HG PRO 10 2HG PRO 10 2.235 1.243 6.652 73 2HG PRO 10 1HG PRO 10 3.240 1.383 8.104 74 1HD PRO 10 2HD PRO 10 3.483 -0.625 6.161 75 2HD PRO 10 1HD PRO 10 4.161 -0.707 7.797 76 H HIS 11 H HIS 11 -0.323 -3.110 7.668 77 HA HIS 11 HA HIS 11 -1.095 -3.173 5.152 78 1HB HIS 11 2HB HIS 11 -2.453 -3.917 7.603 79 2HB HIS 11 1HB HIS 11 -3.573 -3.568 6.279 80 HD1 HIS 11 HD1 HIS 11 -0.094 -5.086 5.925 81 HD2 HIS 11 HD2 HIS 11 -4.090 -6.165 5.395 82 HE1 HIS 11 HE1 HIS 11 -0.084 -7.348 4.791 83 H THR 12 H THR 12 -1.146 -1.135 4.127 84 HA THR 12 HA THR 12 -2.476 0.358 2.955 85 HB THR 12 HB THR 12 -4.308 -1.276 4.137 86 HG1 THR 12 HG1 THR 12 -5.687 -0.474 2.629 87 1HG2 THR 12 2HG2 THR 12 -4.933 1.573 4.906 88 2HG2 THR 12 1HG2 THR 12 -6.163 0.316 4.806 89 3HG2 THR 12 3HG2 THR 12 -4.853 0.174 5.972 90 H GLU 13 H GLU 13 -3.213 0.844 6.449 91 HA GLU 13 HA GLU 13 -3.541 3.594 6.286 92 1HB GLU 13 2HB GLU 13 -3.609 2.068 8.390 93 2HB GLU 13 1HB GLU 13 -1.882 2.410 8.523 94 1HG GLU 13 2HG GLU 13 -2.224 4.579 9.143 95 2HG GLU 13 1HG GLU 13 -3.605 4.774 8.063 96 H ASN 14 H ASN 14 -2.284 4.658 4.860 97 HA ASN 14 HA ASN 14 0.151 5.831 5.497 98 1HB ASN 14 2HB ASN 14 0.539 3.071 4.884 99 2HB ASN 14 1HB ASN 14 1.158 3.996 3.514 100 1HD2 ASN 14 2HD2 ASN 14 4.126 4.580 5.315 101 2HD2 ASN 14 1HD2 ASN 14 3.399 4.067 3.870 102 H SER 15 H SER 15 1.326 5.573 2.752 103 HA SER 15 HA SER 15 -0.688 5.917 0.788 104 1HB SER 15 2HB SER 15 -0.516 8.437 0.558 105 2HB SER 15 1HB SER 15 -1.407 7.880 1.971 106 HG SER 15 HG SER 15 0.153 8.580 3.238 107 H PHE 16 H PHE 16 0.306 7.644 -0.943 108 HA PHE 16 HA PHE 16 3.144 7.751 -1.174 109 1HB PHE 16 2HB PHE 16 2.815 5.270 -1.376 110 2HB PHE 16 1HB PHE 16 1.819 5.563 -2.803 111 HD1 PHE 16 HD1 PHE 16 5.239 5.788 -1.406 112 HD2 PHE 16 HD2 PHE 16 2.774 6.283 -4.880 113 HE1 PHE 16 HE1 PHE 16 7.271 5.960 -2.821 114 HE2 PHE 16 HE2 PHE 16 4.793 6.467 -6.295 115 HZ PHE 16 HZ PHE 16 7.049 6.299 -5.268 116 H THR 17 H THR 17 3.719 8.682 -3.364 117 HA THR 17 HA THR 17 1.283 9.866 -4.616 118 HB THR 17 HB THR 17 2.302 11.839 -4.311 119 HG1 THR 17 HG1 THR 17 3.176 12.168 -6.175 120 1HG2 THR 17 1HG2 THR 17 3.709 10.580 -2.582 121 2HG2 THR 17 3HG2 THR 17 4.971 10.506 -3.812 122 3HG2 THR 17 2HG2 THR 17 4.407 12.068 -3.220 123 H ASN 18 H ASN 18 2.037 10.669 -7.034 124 HA ASN 18 HA ASN 18 2.359 9.834 -9.211 125 1HB ASN 18 2HB ASN 18 4.726 9.816 -8.546 126 2HB ASN 18 1HB ASN 18 4.512 8.247 -7.770 127 1HD2 ASN 18 2HD2 ASN 18 5.688 6.987 -10.896 128 2HD2 ASN 18 1HD2 ASN 18 6.128 7.330 -9.292 129 H VAL 19 H VAL 19 0.705 8.407 -7.042 130 HA VAL 19 HA VAL 19 0.665 5.639 -7.269 131 HB VAL 19 HB VAL 19 -1.735 7.495 -7.248 132 1HG1 VAL 19 3HG1 VAL 19 -1.363 4.583 -6.494 133 2HG1 VAL 19 2HG1 VAL 19 -2.770 5.533 -6.023 134 3HG1 VAL 19 1HG1 VAL 19 -2.437 5.239 -7.729 135 1HG2 VAL 19 1HG2 VAL 19 0.307 7.426 -5.420 136 2HG2 VAL 19 3HG2 VAL 19 -1.357 7.866 -5.031 137 3HG2 VAL 19 2HG2 VAL 19 -0.792 6.217 -4.754 138 H TRP 20 H TRP 20 -0.766 4.234 -8.604 139 HA TRP 20 HA TRP 20 -1.652 5.355 -11.183 140 1HB TRP 20 2HB TRP 20 -0.038 4.456 -12.520 141 2HB TRP 20 1HB TRP 20 0.927 4.364 -11.051 142 HD1 TRP 20 HD1 TRP 20 -0.905 2.237 -13.572 143 HE1 TRP 20 HE1 TRP 20 -0.555 -0.259 -13.025 144 HE3 TRP 20 HE3 TRP 20 1.358 2.646 -9.014 145 HZ2 TRP 20 HZ2 TRP 20 0.559 -1.866 -10.938 146 HZ3 TRP 20 HZ3 TRP 20 2.055 0.619 -7.772 147 HH2 TRP 20 HH2 TRP 20 1.655 -1.635 -8.731 148 H LYS 21 H LYS 21 -2.330 3.174 -12.552 149 HA LYS 21 HA LYS 21 -3.685 1.302 -10.676 150 1HB LYS 21 2HB LYS 21 -5.404 2.928 -11.262 151 2HB LYS 21 1HB LYS 21 -5.011 2.773 -12.976 152 1HG LYS 21 2HG LYS 21 -5.557 0.200 -11.672 153 2HG LYS 21 1HG LYS 21 -6.940 1.299 -11.659 154 1HD LYS 21 2HD LYS 21 -5.682 1.422 -14.238 155 2HD LYS 21 1HD LYS 21 -5.981 -0.268 -13.828 156 1HE LYS 21 2HE LYS 21 -8.092 0.132 -14.565 157 2HE LYS 21 1HE LYS 21 -8.314 0.931 -13.008 158 1HZ LYS 21 2HZ LYS 21 -7.339 2.285 -15.463 159 2HZ LYS 21 1HZ LYS 21 -8.948 2.321 -14.922 160 3HZ LYS 21 3HZ LYS 21 -7.722 3.018 -13.980 161 H ASP 22 H ASP 22 -3.116 -0.727 -11.296 162 HA ASP 22 HA ASP 22 -2.170 -1.120 -14.079 163 1HB ASP 22 2HB ASP 22 -1.157 -1.926 -11.621 164 2HB ASP 22 1HB ASP 22 -1.921 -3.385 -12.252 165 H ASP 23 H ASP 23 -3.455 -2.180 -15.494 166 HA ASP 23 HA ASP 23 -5.960 -3.395 -14.578 167 1HB ASP 23 2HB ASP 23 -5.855 -2.167 -16.736 168 2HB ASP 23 1HB ASP 23 -4.684 -3.342 -17.337 169 H LYS 24 H LYS 24 -2.715 -4.301 -15.108 170 HA LYS 24 HA LYS 24 -3.164 -7.141 -15.627 171 1HB LYS 24 2HB LYS 24 -0.858 -5.306 -15.215 172 2HB LYS 24 1HB LYS 24 -0.607 -6.980 -14.718 173 1HG LYS 24 2HG LYS 24 -0.322 -7.584 -16.865 174 2HG LYS 24 1HG LYS 24 -1.946 -7.009 -17.243 175 1HD LYS 24 2HD LYS 24 -0.498 -5.756 -18.658 176 2HD LYS 24 1HD LYS 24 -0.924 -4.660 -17.343 177 1HE LYS 24 2HE LYS 24 1.175 -4.853 -16.325 178 2HE LYS 24 1HE LYS 24 1.525 -6.390 -17.116 179 1HZ LYS 24 3HZ LYS 24 1.118 -4.492 -19.111 180 2HZ LYS 24 2HZ LYS 24 2.168 -3.793 -17.973 181 3HZ LYS 24 1HZ LYS 24 2.563 -5.276 -18.701 182 H THR 25 H THR 25 -1.790 -5.265 -12.928 183 HA THR 25 HA THR 25 -1.930 -7.420 -11.029 184 HB THR 25 HB THR 25 -1.240 -5.821 -9.426 185 HG1 THR 25 HG1 THR 25 -1.650 -3.479 -10.180 186 1HG2 THR 25 1HG2 THR 25 0.253 -5.994 -11.490 187 2HG2 THR 25 3HG2 THR 25 -0.428 -4.448 -11.992 188 3HG2 THR 25 2HG2 THR 25 0.478 -4.563 -10.485 189 H LEU 26 H LEU 26 -4.151 -5.041 -12.227 190 HA LEU 26 HA LEU 26 -6.478 -4.946 -12.084 191 1HB LEU 26 2HB LEU 26 -5.828 -7.610 -11.288 192 2HB LEU 26 1HB LEU 26 -7.125 -7.017 -10.250 193 HG LEU 26 HG LEU 26 -7.130 -6.887 -13.281 194 1HD1 LEU 26 2HD1 LEU 26 -7.387 -9.174 -11.988 195 2HD1 LEU 26 1HD1 LEU 26 -8.999 -8.557 -11.627 196 3HD1 LEU 26 3HD1 LEU 26 -8.493 -8.777 -13.303 197 1HD2 LEU 26 3HD2 LEU 26 -8.898 -5.846 -11.117 198 2HD2 LEU 26 2HD2 LEU 26 -8.571 -5.180 -12.717 199 3HD2 LEU 26 1HD2 LEU 26 -9.692 -6.530 -12.535 200 H ASP 27 H ASP 27 -5.635 -3.000 -10.639 201 HA ASP 27 HA ASP 27 -7.440 -2.443 -8.623 202 1HB ASP 27 2HB ASP 27 -5.545 -4.435 -7.750 203 2HB ASP 27 1HB ASP 27 -5.401 -2.986 -6.760 204 H ARG 28 H ARG 28 -6.531 -0.746 -6.937 205 HA ARG 28 HA ARG 28 -4.763 1.059 -8.457 206 1HB ARG 28 2HB ARG 28 -6.818 1.756 -7.015 207 2HB ARG 28 1HB ARG 28 -5.744 1.522 -5.635 208 1HG ARG 28 2HG ARG 28 -5.112 3.669 -6.009 209 2HG ARG 28 1HG ARG 28 -4.163 2.995 -7.333 210 1HD ARG 28 2HD ARG 28 -5.596 4.890 -8.075 211 2HD ARG 28 1HD ARG 28 -6.004 3.383 -8.896 212 HE ARG 28 HE ARG 28 -7.576 4.139 -6.489 213 1HH1 ARG 28 1HH2 ARG 28 -7.329 4.495 -9.867 214 2HH1 ARG 28 2HH2 ARG 28 -8.996 4.147 -10.180 215 1HH2 ARG 28 2HH1 ARG 28 -9.720 3.335 -6.889 216 2HH2 ARG 28 1HH1 ARG 28 -10.349 3.489 -8.495 217 H TYR 29 H TYR 29 -2.654 1.737 -7.592 218 HA TYR 29 HA TYR 29 -1.673 0.191 -5.274 219 1HB TYR 29 2HB TYR 29 -0.540 -0.103 -8.059 220 2HB TYR 29 1HB TYR 29 0.271 -0.667 -6.602 221 HD1 TYR 29 HD1 TYR 29 -2.645 -1.123 -8.816 222 HD2 TYR 29 HD2 TYR 29 -0.529 -2.622 -5.395 223 HE1 TYR 29 HE1 TYR 29 -3.970 -3.217 -8.913 224 HE2 TYR 29 HE2 TYR 29 -1.856 -4.714 -5.495 225 HH TYR 29 HH TYR 29 -3.109 -6.005 -7.263 226 H ALA 30 H ALA 30 0.294 0.929 -4.434 227 HA ALA 30 HA ALA 30 1.294 3.520 -5.545 228 1HB ALA 30 3HB ALA 30 0.307 2.849 -2.849 229 2HB ALA 30 2HB ALA 30 1.890 3.628 -2.853 230 3HB ALA 30 1HB ALA 30 0.511 4.428 -3.607 231 H ASN 31 H ASN 31 3.064 2.550 -6.573 232 HA ASN 31 HA ASN 31 4.646 0.455 -5.535 233 1HB ASN 31 2HB ASN 31 6.179 0.925 -7.261 234 2HB ASN 31 1HB ASN 31 4.639 1.494 -7.902 235 1HD2 ASN 31 2HD2 ASN 31 5.625 5.002 -7.090 236 2HD2 ASN 31 1HD2 ASN 31 4.347 3.978 -6.648 237 H TYR 32 H TYR 32 5.724 0.455 -3.644 238 HA TYR 32 HA TYR 32 7.051 2.992 -2.790 239 1HB TYR 32 2HB TYR 32 5.241 1.607 -1.355 240 2HB TYR 32 1HB TYR 32 6.703 0.752 -0.862 241 HD1 TYR 32 HD2 TYR 32 8.740 2.240 -0.160 242 HD2 TYR 32 HD1 TYR 32 4.681 3.633 -0.325 243 HE1 TYR 32 HE2 TYR 32 9.323 4.118 1.353 244 HE2 TYR 32 HE1 TYR 32 5.262 5.510 1.187 245 HH TYR 32 HH TYR 32 7.904 5.614 3.058 246 H GLU 33 H GLU 33 8.444 1.723 -4.650 247 HA GLU 33 HA GLU 33 10.280 0.277 -5.138 248 1HB GLU 33 2HB GLU 33 11.306 1.969 -2.844 249 2HB GLU 33 1HB GLU 33 12.277 1.236 -4.122 250 1HG GLU 33 2HG GLU 33 11.268 2.619 -5.802 251 2HG GLU 33 1HG GLU 33 10.038 3.195 -4.676 252 H GLY 34 H GLY 34 9.876 -1.871 -4.553 253 1HA GLY 34 2HA GLY 34 10.812 -3.746 -3.337 254 2HA GLY 34 1HA GLY 34 11.065 -2.684 -1.954 255 H CYS 35 H CYS 35 8.245 -1.590 -2.320 256 HA CYS 35 HA CYS 35 6.667 -4.001 -1.585 257 1HB CYS 35 2HB CYS 35 6.492 -1.574 0.182 258 2HB CYS 35 1HB CYS 35 6.008 -3.229 0.531 259 H LEU 36 H LEU 36 4.839 -3.886 -2.781 260 HA LEU 36 HA LEU 36 3.918 -1.202 -3.661 261 1HB LEU 36 2HB LEU 36 4.294 -3.046 -5.351 262 2HB LEU 36 1HB LEU 36 2.924 -3.887 -4.631 263 HG LEU 36 HG LEU 36 1.794 -1.479 -4.945 264 1HD1 LEU 36 1HD1 LEU 36 4.269 -1.236 -6.307 265 2HD1 LEU 36 3HD1 LEU 36 3.019 -1.330 -7.544 266 3HD1 LEU 36 2HD1 LEU 36 2.930 -0.090 -6.297 267 1HD2 LEU 36 2HD2 LEU 36 0.968 -3.626 -5.858 268 2HD2 LEU 36 1HD2 LEU 36 0.846 -2.341 -7.060 269 3HD2 LEU 36 3HD2 LEU 36 2.148 -3.515 -7.155 270 H TRP 37 H TRP 37 2.129 -0.332 -2.838 271 HA TRP 37 HA TRP 37 0.469 -1.944 -0.987 272 1HB TRP 37 2HB TRP 37 0.295 1.037 -1.525 273 2HB TRP 37 1HB TRP 37 -0.383 0.145 -0.174 274 HD1 TRP 37 HD1 TRP 37 3.166 0.596 -1.661 275 HE1 TRP 37 HE1 TRP 37 4.800 0.891 0.302 276 HE3 TRP 37 HE3 TRP 37 -0.080 0.184 2.276 277 HZ2 TRP 37 HZ2 TRP 37 4.742 0.955 3.160 278 HZ3 TRP 37 HZ3 TRP 37 0.731 0.366 4.592 279 HH2 TRP 37 HH2 TRP 37 3.142 0.762 5.043 280 H ASN 38 H ASN 38 -2.027 -1.132 -1.196 281 HA ASN 38 HA ASN 38 -2.703 -0.885 -4.073 282 1HB ASN 38 2HB ASN 38 -3.424 -3.009 -4.289 283 2HB ASN 38 1HB ASN 38 -2.772 -3.352 -2.693 284 1HD2 ASN 38 2HD2 ASN 38 -6.792 -2.468 -2.940 285 2HD2 ASN 38 1HD2 ASN 38 -5.718 -1.720 -4.023 286 H ALA 39 H ALA 39 -4.222 0.609 -4.329 287 HA ALA 39 HA ALA 39 -5.826 1.452 -1.983 288 1HB ALA 39 2HB ALA 39 -4.743 2.773 -4.360 289 2HB ALA 39 1HB ALA 39 -6.443 3.155 -4.090 290 3HB ALA 39 3HB ALA 39 -5.255 3.474 -2.825 291 H THR 40 H THR 40 -8.091 1.516 -2.081 292 HA THR 40 HA THR 40 -9.280 -0.308 -4.108 293 HB THR 40 HB THR 40 -10.069 -1.129 -2.110 294 HG1 THR 40 HG1 THR 40 -12.056 0.329 -1.586 295 1HG2 THR 40 2HG2 THR 40 -9.694 1.683 -1.092 296 2HG2 THR 40 1HG2 THR 40 -10.610 0.499 -0.160 297 3HG2 THR 40 3HG2 THR 40 -8.913 0.201 -0.541 298 H GLY 41 H GLY 41 -9.896 2.854 -2.565 299 1HA GLY 41 2HA GLY 41 -10.638 4.144 -4.985 300 2HA GLY 41 1HA GLY 41 -12.114 3.578 -4.199 301 H VAL 42 H VAL 42 -11.684 3.982 -1.563 302 HA VAL 42 HA VAL 42 -11.973 6.823 -1.268 303 HB VAL 42 HB VAL 42 -11.393 4.709 0.829 304 1HG1 VAL 42 3HG1 VAL 42 -10.971 7.108 1.494 305 2HG1 VAL 42 2HG1 VAL 42 -12.667 7.441 1.143 306 3HG1 VAL 42 1HG1 VAL 42 -12.238 6.313 2.429 307 1HG2 VAL 42 3HG2 VAL 42 -13.867 5.643 -0.574 308 2HG2 VAL 42 2HG2 VAL 42 -13.429 4.021 -0.038 309 3HG2 VAL 42 1HG2 VAL 42 -13.992 5.215 1.131 310 H VAL 43 H VAL 43 -10.038 7.737 -2.178 311 HA VAL 43 HA VAL 43 -7.766 7.722 -0.276 312 HB VAL 43 HB VAL 43 -7.272 7.334 -3.232 313 1HG1 VAL 43 2HG1 VAL 43 -5.536 8.259 -1.543 314 2HG1 VAL 43 1HG1 VAL 43 -5.495 6.616 -0.903 315 3HG1 VAL 43 3HG1 VAL 43 -5.042 6.921 -2.580 316 1HG2 VAL 43 2HG2 VAL 43 -7.656 5.278 -1.046 317 2HG2 VAL 43 1HG2 VAL 43 -8.430 5.339 -2.629 318 3HG2 VAL 43 3HG2 VAL 43 -6.719 4.931 -2.500 319 H VAL 44 H VAL 44 -7.449 9.854 0.137 320 HA VAL 44 HA VAL 44 -8.490 12.008 -1.363 321 HB VAL 44 HB VAL 44 -6.068 11.882 0.459 322 1HG1 VAL 44 1HG1 VAL 44 -6.088 13.814 -1.211 323 2HG1 VAL 44 3HG1 VAL 44 -7.562 14.363 -0.414 324 3HG1 VAL 44 2HG1 VAL 44 -6.052 14.272 0.492 325 1HG2 VAL 44 1HG2 VAL 44 -8.447 11.385 1.317 326 2HG2 VAL 44 3HG2 VAL 44 -7.545 12.643 2.162 327 3HG2 VAL 44 2HG2 VAL 44 -8.791 13.083 0.994 328 H CYS 45 H CYS 45 -8.046 12.180 -3.542 329 HA CYS 45 HA CYS 45 -5.200 11.868 -4.391 330 1HB CYS 45 2HB CYS 45 -7.813 11.279 -5.669 331 2HB CYS 45 1HB CYS 45 -6.560 11.920 -6.730 332 H THR 46 H THR 46 -4.200 13.492 -5.564 333 HA THR 46 HA THR 46 -5.747 15.944 -6.190 334 HB THR 46 HB THR 46 -4.823 16.310 -3.932 335 HG1 THR 46 HG1 THR 46 -3.540 17.680 -6.053 336 1HG2 THR 46 3HG2 THR 46 -2.715 14.760 -4.856 337 2HG2 THR 46 2HG2 THR 46 -2.021 16.379 -4.766 338 3HG2 THR 46 1HG2 THR 46 -2.749 15.650 -3.334 339 H GLY 47 H GLY 47 -4.702 17.252 -7.813 340 1HA GLY 47 2HA GLY 47 -3.296 17.638 -9.661 341 2HA GLY 47 1HA GLY 47 -2.121 16.554 -8.913 342 H ASP 48 H ASP 48 -5.408 16.228 -10.320 343 HA ASP 48 HA ASP 48 -6.197 14.678 -11.909 344 1HB ASP 48 2HB ASP 48 -3.488 15.205 -12.638 345 2HB ASP 48 1HB ASP 48 -3.756 13.467 -12.779 346 H GLU 49 H GLU 49 -4.889 14.045 -9.082 347 HA GLU 49 HA GLU 49 -5.086 12.171 -7.708 348 1HB GLU 49 2HB GLU 49 -5.677 10.486 -10.139 349 2HB GLU 49 1HB GLU 49 -6.169 10.209 -8.468 350 1HG GLU 49 2HG GLU 49 -7.414 12.494 -8.721 351 2HG GLU 49 1HG GLU 49 -7.264 12.187 -10.452 352 H THR 50 H THR 50 -2.685 13.037 -9.305 353 HA THR 50 HA THR 50 -1.227 10.567 -9.850 354 HB THR 50 HB THR 50 -0.775 12.888 -10.901 355 HG1 THR 50 HG1 THR 50 1.489 12.429 -10.905 356 1HG2 THR 50 1HG2 THR 50 -0.574 13.722 -8.324 357 2HG2 THR 50 3HG2 THR 50 1.122 13.411 -8.691 358 3HG2 THR 50 2HG2 THR 50 0.200 14.546 -9.676 359 H GLN 51 H GLN 51 -1.664 12.783 -7.163 360 HA GLN 51 HA GLN 51 0.119 11.028 -5.512 361 1HB GLN 51 2HB GLN 51 -0.820 13.833 -4.835 362 2HB GLN 51 1HB GLN 51 0.402 12.882 -3.990 363 1HG GLN 51 2HG GLN 51 2.021 13.452 -5.467 364 2HG GLN 51 1HG GLN 51 0.961 13.197 -6.852 365 1HE2 GLN 51 2HE2 GLN 51 1.786 16.883 -6.438 366 2HE2 GLN 51 1HE2 GLN 51 2.767 15.499 -6.494 367 H CYS 52 H CYS 52 -0.876 10.019 -3.717 368 HA CYS 52 HA CYS 52 -3.567 10.937 -2.962 369 1HB CYS 52 2HB CYS 52 -3.369 9.008 -4.922 370 2HB CYS 52 1HB CYS 52 -3.580 8.047 -3.460 371 H TYR 53 H TYR 53 -4.404 9.845 -1.047 372 HA TYR 53 HA TYR 53 -2.468 8.210 0.471 373 1HB TYR 53 2HB TYR 53 -1.754 10.055 1.601 374 2HB TYR 53 1HB TYR 53 -3.096 11.035 1.023 375 HD1 TYR 53 HD1 TYR 53 -2.127 8.476 3.560 376 HD2 TYR 53 HD2 TYR 53 -5.006 11.441 2.392 377 HE1 TYR 53 HE1 TYR 53 -3.230 8.273 5.770 378 HE2 TYR 53 HE2 TYR 53 -6.111 11.237 4.602 379 HH TYR 53 HH TYR 53 -5.065 10.361 7.107 380 H GLY 54 H GLY 54 -3.517 7.211 2.387 381 1HA GLY 54 2HA GLY 54 -5.962 7.226 3.433 382 2HA GLY 54 1HA GLY 54 -6.378 6.672 1.809 383 H THR 55 H THR 55 -6.639 4.491 1.792 384 HA THR 55 HA THR 55 -4.811 2.875 3.537 385 HB THR 55 HB THR 55 -6.637 1.064 3.139 386 HG1 THR 55 HG1 THR 55 -7.617 2.515 1.489 387 1HG2 THR 55 3HG2 THR 55 -6.217 2.887 5.131 388 2HG2 THR 55 2HG2 THR 55 -7.894 3.225 4.706 389 3HG2 THR 55 1HG2 THR 55 -7.420 1.600 5.198 390 H TRP 56 H TRP 56 -3.302 1.869 2.430 391 HA TRP 56 HA TRP 56 -3.844 0.950 -0.360 392 1HB TRP 56 2HB TRP 56 -1.192 1.661 0.863 393 2HB TRP 56 1HB TRP 56 -1.542 1.358 -0.841 394 HD1 TRP 56 HD1 TRP 56 -2.425 3.889 1.926 395 HE1 TRP 56 HE1 TRP 56 -2.903 6.152 0.798 396 HE3 TRP 56 HE3 TRP 56 -2.048 2.493 -2.951 397 HZ2 TRP 56 HZ2 TRP 56 -3.094 7.224 -1.873 398 HZ3 TRP 56 HZ3 TRP 56 -2.380 4.126 -4.773 399 HH2 TRP 56 HH2 TRP 56 -2.904 6.499 -4.244 400 H VAL 57 H VAL 57 -4.572 -1.127 0.874 401 HA VAL 57 HA VAL 57 -2.912 -2.571 2.606 402 HB VAL 57 HB VAL 57 -4.719 -3.597 0.398 403 1HG1 VAL 57 3HG1 VAL 57 -2.733 -5.031 1.859 404 2HG1 VAL 57 2HG1 VAL 57 -4.309 -5.509 2.489 405 3HG1 VAL 57 1HG1 VAL 57 -3.958 -5.680 0.769 406 1HG2 VAL 57 3HG2 VAL 57 -4.977 -3.106 3.367 407 2HG2 VAL 57 2HG2 VAL 57 -6.002 -2.502 2.064 408 3HG2 VAL 57 1HG2 VAL 57 -6.068 -4.204 2.522 409 HA PRO 58 HA PRO 58 0.644 -3.370 0.093 410 1HB PRO 58 2HB PRO 58 1.929 -4.999 1.924 411 2HB PRO 58 1HB PRO 58 1.926 -3.227 1.997 412 1HG PRO 58 2HG PRO 58 0.442 -5.172 3.683 413 2HG PRO 58 1HG PRO 58 0.911 -3.494 4.043 414 1HD PRO 58 2HD PRO 58 -1.682 -4.393 3.263 415 2HD PRO 58 1HD PRO 58 -1.137 -2.711 3.364 416 H ILE 59 H ILE 59 0.559 -4.742 -1.574 417 HA ILE 59 HA ILE 59 -0.598 -7.446 -1.160 418 HB ILE 59 HB ILE 59 -0.715 -7.417 -3.716 419 1HG1 ILE 59 2HG1 ILE 59 0.970 -5.385 -3.670 420 2HG1 ILE 59 1HG1 ILE 59 -0.287 -5.458 -4.898 421 1HG2 ILE 59 2HG2 ILE 59 -2.666 -7.031 -2.243 422 2HG2 ILE 59 1HG2 ILE 59 -2.274 -5.313 -2.180 423 3HG2 ILE 59 3HG2 ILE 59 -2.760 -6.052 -3.707 424 1HD1 ILE 59 1HD1 ILE 59 -1.017 -4.128 -2.337 425 2HD1 ILE 59 3HD1 ILE 59 0.130 -3.274 -3.367 426 3HD1 ILE 59 2HD1 ILE 59 -1.462 -3.703 -3.987 427 H GLY 60 H GLY 60 2.304 -5.783 -2.435 428 1HA GLY 60 2HA GLY 60 3.745 -8.313 -2.084 429 2HA GLY 60 1HA GLY 60 3.549 -7.855 -3.771 430 H LEU 61 H LEU 61 5.682 -7.465 -4.192 431 HA LEU 61 HA LEU 61 7.160 -5.535 -2.495 432 1HB LEU 61 2HB LEU 61 8.186 -7.051 -4.895 433 2HB LEU 61 1HB LEU 61 9.123 -6.348 -3.574 434 HG LEU 61 HG LEU 61 7.166 -8.653 -3.323 435 1HD1 LEU 61 1HD1 LEU 61 10.055 -8.467 -3.855 436 2HD1 LEU 61 3HD1 LEU 61 9.646 -9.523 -2.502 437 3HD1 LEU 61 2HD1 LEU 61 8.952 -9.821 -4.095 438 1HD2 LEU 61 2HD2 LEU 61 8.422 -6.842 -1.390 439 2HD2 LEU 61 1HD2 LEU 61 7.097 -7.983 -1.158 440 3HD2 LEU 61 3HD2 LEU 61 8.768 -8.538 -1.057 441 H ALA 62 H ALA 62 6.003 -5.943 -5.842 442 HA ALA 62 HA ALA 62 5.827 -3.101 -6.233 443 1HB ALA 62 2HB ALA 62 8.200 -4.514 -7.461 444 2HB ALA 62 1HB ALA 62 7.627 -2.927 -7.977 445 3HB ALA 62 3HB ALA 62 8.228 -3.154 -6.330 446 H ILE 63 H ILE 63 3.952 -3.221 -7.311 447 HA ILE 63 HA ILE 63 2.325 -3.823 -8.885 448 HB ILE 63 HB ILE 63 4.735 -4.140 -10.668 449 1HG1 ILE 63 2HG1 ILE 63 3.413 -1.793 -9.419 450 2HG1 ILE 63 1HG1 ILE 63 5.047 -1.953 -10.044 451 1HG2 ILE 63 1HG2 ILE 63 2.192 -4.869 -11.180 452 2HG2 ILE 63 3HG2 ILE 63 2.071 -3.153 -11.578 453 3HG2 ILE 63 2HG2 ILE 63 3.240 -4.170 -12.420 454 1HD1 ILE 63 2HD1 ILE 63 2.578 -1.661 -11.788 455 2HD1 ILE 63 1HD1 ILE 63 3.649 -0.330 -11.348 456 3HD1 ILE 63 3HD1 ILE 63 4.258 -1.662 -12.330 457 HA PRO 64 HA PRO 64 3.186 -8.357 -8.833 458 1HB PRO 64 2HB PRO 64 1.686 -9.021 -6.638 459 2HB PRO 64 1HB PRO 64 3.410 -8.623 -6.557 460 1HG PRO 64 2HG PRO 64 1.090 -7.016 -5.650 461 2HG PRO 64 1HG PRO 64 2.794 -6.894 -5.177 462 1HD PRO 64 2HD PRO 64 1.384 -5.220 -7.044 463 2HD PRO 64 1HD PRO 64 3.109 -5.160 -6.620 464 H GLU 65 H GLU 65 0.137 -7.887 -7.176 465 HA GLU 65 HA GLU 65 -1.829 -7.461 -8.974 466 1HB GLU 65 2HB GLU 65 -2.390 -9.741 -9.936 467 2HB GLU 65 1HB GLU 65 -0.972 -8.968 -10.640 468 1HG GLU 65 2HG GLU 65 0.199 -10.300 -8.587 469 2HG GLU 65 1HG GLU 65 -1.156 -11.380 -8.918 470 H ASN 66 H ASN 66 -1.787 -7.379 -6.303 471 HA ASN 66 HA ASN 66 -3.291 -7.858 -4.543 472 1HB ASN 66 2HB ASN 66 -4.744 -8.745 -6.573 473 2HB ASN 66 1HB ASN 66 -4.288 -10.322 -5.931 474 1HD2 ASN 66 2HD2 ASN 66 -6.294 -10.020 -3.012 475 2HD2 ASN 66 1HD2 ASN 66 -5.054 -10.897 -3.769 476 H ALA 67 H ALA 67 -2.611 -11.121 -5.849 477 HA ALA 67 HA ALA 67 -1.588 -11.921 -3.209 478 1HB ALA 67 1HB ALA 67 -1.928 -13.445 -5.808 479 2HB ALA 67 3HB ALA 67 -1.363 -14.166 -4.301 480 3HB ALA 67 2HB ALA 67 -2.995 -13.505 -4.405 481 H ALA 68 H ALA 68 0.420 -13.718 -3.885 482 HA ALA 68 HA ALA 68 2.546 -11.850 -4.832 483 1HB ALA 68 2HB ALA 68 2.699 -14.347 -3.118 484 2HB ALA 68 1HB ALA 68 4.101 -13.422 -3.653 485 3HB ALA 68 3HB ALA 68 2.916 -12.683 -2.575 486 H ALA 69 H ALA 69 2.516 -12.209 -7.063 487 HA ALA 69 HA ALA 69 3.260 -14.976 -7.907 488 1HB ALA 69 1HB ALA 69 0.940 -13.404 -8.695 489 2HB ALA 69 3HB ALA 69 1.937 -13.822 -10.088 490 3HB ALA 69 2HB ALA 69 1.310 -15.093 -9.039 491 H HIS 70 HN HIS 70 2.790 -12.080 -9.893 492 HA HIS 70 HA HIS 70 4.306 -11.093 -11.409 493 1HB HIS 70 2HB HIS 70 4.869 -10.140 -9.092 494 2HB HIS 70 1HB HIS 70 6.231 -11.260 -9.084 495 HD1 HIS 70 HD1 HIS 70 5.597 -10.226 -12.482 496 HD2 HIS 70 HD2 HIS 70 7.652 -8.587 -9.247 497 HE1 HIS 70 HE1 HIS 70 7.150 -8.470 -13.436 No H/Q in entry = 497
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