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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 | stage | position | program | type |
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11816 |
1s3a ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 15 H GLY 15 2.810 -11.033 -1.394 2 1HA GLY 15 1HA GLY 15 3.726 -13.430 -2.862 3 2HA GLY 15 2HA GLY 15 3.074 -11.983 -3.623 4 H LEU 16 H LEU 16 4.870 -11.307 -0.736 5 HA LEU 16 HA LEU 16 7.283 -10.929 -2.103 6 1HB LEU 16 2HB LEU 16 7.279 -8.427 -1.596 7 2HB LEU 16 1HB LEU 16 6.524 -9.010 -3.046 8 HG LEU 16 HG LEU 16 4.379 -8.342 -2.327 9 1HD1 LEU 16 1HD1 LEU 16 4.433 -9.368 -0.119 10 2HD1 LEU 16 2HD1 LEU 16 3.805 -7.717 -0.086 11 3HD1 LEU 16 3HD1 LEU 16 5.461 -8.048 0.468 12 1HD2 LEU 16 1HD2 LEU 16 6.342 -6.407 -1.146 13 2HD2 LEU 16 2HD2 LEU 16 4.671 -6.057 -1.587 14 3HD2 LEU 16 3HD2 LEU 16 5.839 -6.493 -2.835 15 H ARG 17 H ARG 17 8.509 -9.125 -0.584 16 HA ARG 17 HA ARG 17 8.709 -10.584 1.891 17 1HB ARG 17 2HB ARG 17 10.467 -8.472 0.663 18 2HB ARG 17 1HB ARG 17 10.775 -9.240 2.213 19 1HG ARG 17 2HG ARG 17 10.941 -11.412 1.089 20 2HG ARG 17 1HG ARG 17 10.652 -10.602 -0.460 21 1HD ARG 17 2HD ARG 17 13.050 -11.021 -0.044 22 2HD ARG 17 1HD ARG 17 12.673 -9.305 -0.197 23 HE ARG 17 HE ARG 17 12.574 -10.119 2.507 24 1HH1 ARG 17 1HH1 ARG 17 14.977 -9.567 -0.021 25 2HH1 ARG 17 2HH1 ARG 17 16.180 -8.950 1.006 26 1HH2 ARG 17 1HH2 ARG 17 14.130 -9.241 3.938 27 2HH2 ARG 17 2HH2 ARG 17 15.653 -8.705 3.408 28 H GLU 18 H GLU 18 7.912 -7.319 0.704 29 HA GLU 18 HA GLU 18 6.498 -6.891 3.182 30 1HB GLU 18 2HB GLU 18 7.692 -4.785 3.761 31 2HB GLU 18 1HB GLU 18 8.536 -6.285 4.240 32 1HG GLU 18 2HG GLU 18 9.968 -5.759 2.101 33 2HG GLU 18 1HG GLU 18 9.065 -4.273 2.069 34 H ILE 19 H ILE 19 4.911 -5.278 3.153 35 HA ILE 19 HA ILE 19 5.198 -3.143 1.175 36 HB ILE 19 HB ILE 19 2.743 -4.620 2.094 37 1HG1 ILE 19 2HG1 ILE 19 3.917 -5.219 -0.026 38 2HG1 ILE 19 1HG1 ILE 19 2.208 -4.842 -0.195 39 1HG2 ILE 19 1HG2 ILE 19 2.657 -1.840 0.924 40 2HG2 ILE 19 2HG2 ILE 19 2.181 -2.308 2.553 41 3HG2 ILE 19 3HG2 ILE 19 1.259 -2.890 1.164 42 1HD1 ILE 19 1HD1 ILE 19 3.517 -3.900 -2.003 43 2HD1 ILE 19 2HD1 ILE 19 4.494 -2.999 -0.841 44 3HD1 ILE 19 3HD1 ILE 19 2.777 -2.632 -1.028 45 H ARG 20 H ARG 20 5.342 -1.280 2.003 46 HA ARG 20 HA ARG 20 4.394 -0.824 4.739 47 1HB ARG 20 2HB ARG 20 6.975 0.304 3.627 48 2HB ARG 20 1HB ARG 20 6.337 0.558 5.245 49 1HG ARG 20 2HG ARG 20 6.586 -1.838 5.698 50 2HG ARG 20 1HG ARG 20 7.272 -2.054 4.090 51 1HD ARG 20 2HD ARG 20 9.064 -0.429 4.743 52 2HD ARG 20 1HD ARG 20 8.416 -0.480 6.389 53 HE ARG 20 HE ARG 20 9.707 -2.637 4.919 54 1HH1 ARG 20 1HH1 ARG 20 8.602 -1.326 7.999 55 2HH1 ARG 20 2HH1 ARG 20 8.978 -2.704 8.916 56 1HH2 ARG 20 1HH2 ARG 20 10.263 -4.564 6.150 57 2HH2 ARG 20 2HH2 ARG 20 9.909 -4.596 7.836 58 H ILE 21 H ILE 21 2.723 0.420 4.390 59 HA ILE 21 HA ILE 21 2.675 2.318 2.220 60 HB ILE 21 HB ILE 21 0.899 3.098 4.135 61 1HG1 ILE 21 2HG1 ILE 21 0.487 0.131 3.714 62 2HG1 ILE 21 1HG1 ILE 21 1.170 0.846 5.177 63 1HG2 ILE 21 1HG2 ILE 21 -0.818 2.393 2.423 64 2HG2 ILE 21 2HG2 ILE 21 0.466 1.530 1.574 65 3HG2 ILE 21 3HG2 ILE 21 0.545 3.285 1.744 66 1HD1 ILE 21 1HD1 ILE 21 -1.574 1.300 4.062 67 2HD1 ILE 21 2HD1 ILE 21 -0.862 2.186 5.386 68 3HD1 ILE 21 3HD1 ILE 21 -1.159 0.438 5.565 69 H HIS 22 H HIS 22 3.429 4.222 2.419 70 HA HIS 22 HA HIS 22 4.118 5.176 5.125 71 1HB HIS 22 2HB HIS 22 4.847 6.334 2.412 72 2HB HIS 22 1HB HIS 22 5.453 6.896 3.955 73 HD1 HIS 22 1HD HIS 22 7.259 5.839 1.442 74 HD2 HIS 22 2HD HIS 22 6.302 3.724 4.931 75 HE1 HIS 22 1HE HIS 22 8.980 4.107 1.683 76 HE2 HIS 22 2HE HIS 22 8.578 3.047 3.896 77 H LEU 23 H LEU 23 2.527 6.571 6.003 78 HA LEU 23 HA LEU 23 0.714 7.590 3.986 79 1HB LEU 23 2HB LEU 23 -0.349 6.036 5.481 80 2HB LEU 23 1HB LEU 23 0.137 6.988 6.867 81 HG LEU 23 HG LEU 23 -1.306 8.833 6.081 82 1HD1 LEU 23 1HD1 LEU 23 -2.942 8.443 4.323 83 2HD1 LEU 23 2HD1 LEU 23 -2.199 6.881 3.975 84 3HD1 LEU 23 3HD1 LEU 23 -1.292 8.369 3.704 85 1HD2 LEU 23 1HD2 LEU 23 -3.436 7.775 6.644 86 2HD2 LEU 23 2HD2 LEU 23 -2.140 7.222 7.709 87 3HD2 LEU 23 3HD2 LEU 23 -2.711 6.187 6.402 88 H CYS 24 H CYS 24 0.618 8.650 7.170 89 HA CYS 24 HA CYS 24 0.854 10.644 8.269 90 1HB CYS 24 2HB CYS 24 3.125 10.760 7.308 91 2HB CYS 24 1HB CYS 24 2.475 11.499 5.860 92 H GLN 25 H GLN 25 0.187 12.938 8.084 93 HA GLN 25 HA GLN 25 -1.486 13.496 5.772 94 1HB GLN 25 2HB GLN 25 -2.900 14.946 7.321 95 2HB GLN 25 1HB GLN 25 -3.080 13.219 7.541 96 1HG GLN 25 2HG GLN 25 -1.803 13.269 9.551 97 2HG GLN 25 1HG GLN 25 -1.322 14.943 9.266 98 1HE2 GLN 25 1HE2 GLN 25 -2.201 15.584 11.267 99 2HE2 GLN 25 2HE2 GLN 25 -3.912 15.702 11.474 100 H ARG 26 H ARG 26 -0.416 14.900 4.629 101 HA ARG 26 HA ARG 26 0.952 17.129 5.913 102 1HB ARG 26 2HB ARG 26 2.348 14.980 6.093 103 2HB ARG 26 1HB ARG 26 2.560 15.106 4.366 104 1HG ARG 26 2HG ARG 26 3.422 17.213 6.332 105 2HG ARG 26 1HG ARG 26 4.455 15.907 5.773 106 1HD ARG 26 2HD ARG 26 4.004 16.772 3.434 107 2HD ARG 26 1HD ARG 26 3.311 18.198 4.214 108 HE ARG 26 HE ARG 26 5.535 18.239 5.428 109 1HH1 ARG 26 1HH1 ARG 26 5.015 17.430 2.062 110 2HH1 ARG 26 2HH1 ARG 26 6.616 17.733 1.549 111 1HH2 ARG 26 1HH2 ARG 26 7.794 18.539 4.796 112 2HH2 ARG 26 2HH2 ARG 26 8.276 18.310 3.173 113 H SER 27 H SER 27 1.020 15.233 2.876 114 HA SER 27 HA SER 27 0.610 17.723 1.379 115 1HB SER 27 2HB SER 27 2.326 15.318 0.776 116 2HB SER 27 1HB SER 27 2.059 16.640 -0.366 117 HG SER 27 HG SER 27 3.943 16.911 0.664 118 HA PRO 28 HA PRO 28 -2.563 16.128 -1.561 119 1HB PRO 28 2HB PRO 28 -0.271 14.764 -2.932 120 2HB PRO 28 1HB PRO 28 -1.729 15.479 -3.643 121 1HG PRO 28 2HG PRO 28 0.601 16.826 -3.472 122 2HG PRO 28 1HG PRO 28 -0.974 17.626 -3.359 123 1HD PRO 28 2HD PRO 28 1.052 17.321 -1.308 124 2HD PRO 28 1HD PRO 28 -0.456 18.251 -1.242 125 H GLY 29 H GLY 29 -3.894 14.680 -0.786 126 1HA GLY 29 2HA GLY 29 -3.018 11.886 -0.483 127 2HA GLY 29 1HA GLY 29 -3.998 12.674 0.749 128 H SER 30 H SER 30 -5.265 10.572 -0.010 129 HA SER 30 HA SER 30 -7.209 11.490 -1.971 130 1HB SER 30 2HB SER 30 -5.553 10.105 -3.188 131 2HB SER 30 1HB SER 30 -5.921 8.798 -2.064 132 HG SER 30 HG SER 30 -7.033 9.177 -4.288 133 H GLN 31 H GLN 31 -8.911 10.062 -2.069 134 HA GLN 31 HA GLN 31 -9.905 9.393 0.591 135 1HB GLN 31 2HB GLN 31 -12.146 9.479 -0.325 136 2HB GLN 31 1HB GLN 31 -11.305 10.875 -0.961 137 1HG GLN 31 2HG GLN 31 -11.811 8.300 -2.480 138 2HG GLN 31 1HG GLN 31 -12.761 9.770 -2.635 139 1HE2 GLN 31 1HE2 GLN 31 -11.127 8.198 -4.604 140 2HE2 GLN 31 2HE2 GLN 31 -10.059 9.352 -5.291 141 H GLY 32 H GLY 32 -9.087 8.088 -2.523 142 1HA GLY 32 2HA GLY 32 -10.071 5.472 -2.060 143 2HA GLY 32 1HA GLY 32 -8.841 5.936 -3.240 144 H VAL 33 H VAL 33 -7.241 7.267 -1.385 145 HA VAL 33 HA VAL 33 -5.661 5.060 -0.480 146 HB VAL 33 HB VAL 33 -5.408 8.004 0.224 147 1HG1 VAL 33 1HG1 VAL 33 -3.452 5.739 0.596 148 2HG1 VAL 33 2HG1 VAL 33 -4.326 6.569 1.883 149 3HG1 VAL 33 3HG1 VAL 33 -3.131 7.441 0.920 150 1HG2 VAL 33 1HG2 VAL 33 -3.953 6.316 -1.798 151 2HG2 VAL 33 2HG2 VAL 33 -3.601 8.003 -1.418 152 3HG2 VAL 33 3HG2 VAL 33 -5.145 7.566 -2.150 153 H ARG 34 H ARG 34 -7.167 7.699 1.299 154 HA ARG 34 HA ARG 34 -7.283 6.995 3.860 155 1HB ARG 34 2HB ARG 34 -8.440 8.857 2.421 156 2HB ARG 34 1HB ARG 34 -9.796 7.784 2.519 157 1HG ARG 34 2HG ARG 34 -9.795 7.790 4.877 158 2HG ARG 34 1HG ARG 34 -8.383 8.864 4.934 159 1HD ARG 34 2HD ARG 34 -9.794 10.484 3.556 160 2HD ARG 34 1HD ARG 34 -11.166 9.449 3.953 161 HE ARG 34 HE ARG 34 -9.547 10.987 5.845 162 1HH1 ARG 34 1HH1 ARG 34 -12.494 9.095 5.222 163 2HH1 ARG 34 2HH1 ARG 34 -13.385 9.768 6.501 164 1HH2 ARG 34 1HH2 ARG 34 -10.778 11.909 7.613 165 2HH2 ARG 34 2HH2 ARG 34 -12.399 11.452 7.865 166 H ASP 35 H ASP 35 -9.629 5.940 1.414 167 HA ASP 35 HA ASP 35 -11.178 4.231 2.983 168 1HB ASP 35 2HB ASP 35 -10.504 4.271 0.080 169 2HB ASP 35 1HB ASP 35 -11.381 2.921 0.644 170 H PHE 36 H PHE 36 -8.481 3.420 0.917 171 HA PHE 36 HA PHE 36 -8.329 0.815 1.699 172 1HB PHE 36 2HB PHE 36 -6.818 1.242 -0.068 173 2HB PHE 36 1HB PHE 36 -6.441 2.815 0.581 174 HD1 PHE 36 1HD PHE 36 -5.385 -0.647 0.228 175 HD2 PHE 36 2HD PHE 36 -4.775 2.953 2.458 176 HE1 PHE 36 1HE PHE 36 -3.167 -1.389 0.820 177 HE2 PHE 36 2HE PHE 36 -2.531 2.165 3.042 178 HZ PHE 36 HZ PHE 36 -1.726 0.001 2.224 179 H ILE 37 H ILE 37 -6.792 3.501 3.032 180 HA ILE 37 HA ILE 37 -5.227 2.441 5.083 181 HB ILE 37 HB ILE 37 -6.875 4.867 5.383 182 1HG1 ILE 37 2HG1 ILE 37 -5.709 5.488 3.380 183 2HG1 ILE 37 1HG1 ILE 37 -4.911 6.266 4.695 184 1HG2 ILE 37 1HG2 ILE 37 -5.874 4.327 7.475 185 2HG2 ILE 37 2HG2 ILE 37 -5.043 5.758 6.864 186 3HG2 ILE 37 3HG2 ILE 37 -4.278 4.174 6.740 187 1HD1 ILE 37 1HD1 ILE 37 -3.444 5.391 3.045 188 2HD1 ILE 37 2HD1 ILE 37 -3.907 3.740 3.481 189 3HD1 ILE 37 3HD1 ILE 37 -3.078 4.784 4.665 190 H GLU 38 H GLU 38 -8.739 3.084 5.169 191 HA GLU 38 HA GLU 38 -8.660 2.306 7.991 192 1HB GLU 38 2HB GLU 38 -10.638 3.682 8.460 193 2HB GLU 38 1HB GLU 38 -9.277 4.632 7.899 194 1HG GLU 38 2HG GLU 38 -10.338 4.676 5.644 195 2HG GLU 38 1HG GLU 38 -11.740 3.875 6.355 196 H LYS 39 H LYS 39 -10.700 2.298 5.202 197 HA LYS 39 HA LYS 39 -12.663 0.536 6.301 198 1HB LYS 39 2HB LYS 39 -12.984 2.393 4.595 199 2HB LYS 39 1HB LYS 39 -12.159 1.325 3.463 200 1HG LYS 39 2HG LYS 39 -13.936 -0.371 3.842 201 2HG LYS 39 1HG LYS 39 -14.785 0.794 4.859 202 1HD LYS 39 2HD LYS 39 -15.804 0.949 2.732 203 2HD LYS 39 1HD LYS 39 -14.742 2.352 2.846 204 1HE LYS 39 2HE LYS 39 -14.479 1.393 0.663 205 2HE LYS 39 1HE LYS 39 -13.016 1.060 1.589 206 1HZ LYS 39 1HZ LYS 39 -13.699 -0.927 0.398 207 2HZ LYS 39 2HZ LYS 39 -15.234 -0.843 1.019 208 3HZ LYS 39 3HZ LYS 39 -13.958 -1.219 2.036 209 H ARG 40 H ARG 40 -9.765 0.355 4.271 210 HA ARG 40 HA ARG 40 -10.631 -2.296 3.523 211 1HB ARG 40 2HB ARG 40 -10.423 -0.612 1.755 212 2HB ARG 40 1HB ARG 40 -8.737 -0.393 2.181 213 1HG ARG 40 2HG ARG 40 -8.865 -1.756 0.247 214 2HG ARG 40 1HG ARG 40 -8.347 -2.716 1.646 215 1HD ARG 40 2HD ARG 40 -10.531 -3.670 1.878 216 2HD ARG 40 1HD ARG 40 -11.180 -2.610 0.627 217 HE ARG 40 HE ARG 40 -9.181 -3.954 -0.619 218 1HH1 ARG 40 1HH1 ARG 40 -12.102 -4.985 1.137 219 2HH1 ARG 40 2HH1 ARG 40 -12.307 -6.391 0.216 220 1HH2 ARG 40 1HH2 ARG 40 -9.471 -5.874 -1.852 221 2HH2 ARG 40 2HH2 ARG 40 -10.767 -6.919 -1.512 222 H TYR 41 H TYR 41 -8.261 -0.498 5.285 223 HA TYR 41 HA TYR 41 -5.959 -1.935 5.202 224 1HB TYR 41 2HB TYR 41 -6.491 -0.077 6.885 225 2HB TYR 41 1HB TYR 41 -7.261 -1.300 7.816 226 HD1 TYR 41 1HD TYR 41 -3.899 -0.300 6.622 227 HD2 TYR 41 2HD TYR 41 -6.157 -2.813 9.199 228 HE1 TYR 41 1HE TYR 41 -1.838 -0.966 7.792 229 HE2 TYR 41 2HE TYR 41 -4.157 -3.482 10.361 230 HH TYR 41 HH TYR 41 -1.307 -1.865 10.178 231 H VAL 42 H VAL 42 -8.130 -2.974 7.733 232 HA VAL 42 HA VAL 42 -6.837 -5.382 8.179 233 HB VAL 42 HB VAL 42 -8.229 -4.552 9.873 234 1HG1 VAL 42 1HG1 VAL 42 -9.515 -3.131 8.492 235 2HG1 VAL 42 2HG1 VAL 42 -10.579 -4.008 9.610 236 3HG1 VAL 42 3HG1 VAL 42 -10.493 -4.476 7.895 237 1HG2 VAL 42 1HG2 VAL 42 -9.766 -6.854 8.655 238 2HG2 VAL 42 2HG2 VAL 42 -9.910 -6.297 10.324 239 3HG2 VAL 42 3HG2 VAL 42 -8.392 -6.991 9.753 240 H GLU 43 H GLU 43 -9.220 -4.528 5.868 241 HA GLU 43 HA GLU 43 -9.855 -7.194 4.948 242 1HB GLU 43 2HB GLU 43 -10.196 -4.520 3.575 243 2HB GLU 43 1HB GLU 43 -10.914 -6.046 3.087 244 1HG GLU 43 2HG GLU 43 -11.502 -4.594 5.653 245 2HG GLU 43 1HG GLU 43 -12.489 -4.526 4.197 246 H LEU 44 H LEU 44 -7.277 -4.794 4.027 247 HA LEU 44 HA LEU 44 -6.792 -6.624 1.840 248 1HB LEU 44 2HB LEU 44 -5.082 -5.174 1.030 249 2HB LEU 44 1HB LEU 44 -6.390 -4.172 1.609 250 HG LEU 44 HG LEU 44 -4.311 -4.473 3.611 251 1HD1 LEU 44 1HD1 LEU 44 -3.695 -3.200 0.953 252 2HD1 LEU 44 2HD1 LEU 44 -2.928 -4.650 1.611 253 3HD1 LEU 44 3HD1 LEU 44 -2.713 -3.094 2.414 254 1HD2 LEU 44 1HD2 LEU 44 -4.565 -2.077 3.635 255 2HD2 LEU 44 2HD2 LEU 44 -6.146 -2.856 3.659 256 3HD2 LEU 44 3HD2 LEU 44 -5.533 -2.145 2.165 257 H LYS 45 H LYS 45 -5.824 -6.108 4.977 258 HA LYS 45 HA LYS 45 -3.455 -7.605 5.035 259 1HB LYS 45 2HB LYS 45 -4.182 -6.035 6.775 260 2HB LYS 45 1HB LYS 45 -5.529 -7.081 7.165 261 1HG LYS 45 2HG LYS 45 -4.040 -8.753 8.022 262 2HG LYS 45 1HG LYS 45 -2.633 -7.817 7.492 263 1HD LYS 45 2HD LYS 45 -3.254 -5.997 8.964 264 2HD LYS 45 1HD LYS 45 -4.705 -6.863 9.458 265 1HE LYS 45 2HE LYS 45 -3.345 -8.601 10.461 266 2HE LYS 45 1HE LYS 45 -1.876 -7.789 9.909 267 1HZ LYS 45 1HZ LYS 45 -2.492 -7.304 12.293 268 2HZ LYS 45 2HZ LYS 45 -3.855 -6.497 11.698 269 3HZ LYS 45 3HZ LYS 45 -2.304 -5.974 11.291 270 H LYS 46 H LYS 46 -6.874 -8.438 5.393 271 HA LYS 46 HA LYS 46 -6.259 -11.253 5.679 272 1HB LYS 46 2HB LYS 46 -8.610 -11.566 5.900 273 2HB LYS 46 1HB LYS 46 -8.196 -10.117 6.804 274 1HG LYS 46 2HG LYS 46 -8.896 -9.058 4.339 275 2HG LYS 46 1HG LYS 46 -9.801 -10.435 4.346 276 1HD LYS 46 2HD LYS 46 -9.984 -8.727 6.782 277 2HD LYS 46 1HD LYS 46 -11.089 -8.617 5.410 278 1HE LYS 46 2HE LYS 46 -10.566 -11.119 7.013 279 2HE LYS 46 1HE LYS 46 -11.946 -10.043 7.244 280 1HZ LYS 46 1HZ LYS 46 -12.686 -10.522 5.025 281 2HZ LYS 46 2HZ LYS 46 -12.428 -12.009 5.833 282 3HZ LYS 46 3HZ LYS 46 -11.327 -11.474 4.705 283 H ALA 47 H ALA 47 -7.086 -8.987 3.152 284 HA ALA 47 HA ALA 47 -8.254 -10.756 1.534 285 1HB ALA 47 1HB ALA 47 -6.899 -8.200 0.699 286 2HB ALA 47 2HB ALA 47 -8.602 -8.422 1.110 287 3HB ALA 47 3HB ALA 47 -7.948 -9.131 -0.370 288 H ASN 48 H ASN 48 -4.987 -9.718 2.015 289 HA ASN 48 HA ASN 48 -3.892 -11.497 0.038 290 1HB ASN 48 2HB ASN 48 -2.842 -8.705 0.704 291 2HB ASN 48 1HB ASN 48 -2.148 -9.829 -0.444 292 1HD2 ASN 48 1HD2 ASN 48 -3.042 -7.040 -0.854 293 2HD2 ASN 48 2HD2 ASN 48 -4.211 -7.090 -2.099 294 HA PRO 49 HA PRO 49 -2.926 -12.441 4.435 295 1HB PRO 49 2HB PRO 49 -2.241 -15.022 3.824 296 2HB PRO 49 1HB PRO 49 -3.900 -14.495 4.146 297 1HG PRO 49 2HG PRO 49 -2.474 -14.765 1.541 298 2HG PRO 49 1HG PRO 49 -4.052 -15.409 1.946 299 1HD PRO 49 2HD PRO 49 -3.872 -13.168 0.571 300 2HD PRO 49 1HD PRO 49 -5.015 -13.108 1.916 301 H ASP 50 H ASP 50 -1.227 -13.529 1.781 302 HA ASP 50 HA ASP 50 1.384 -13.559 3.112 303 1HB ASP 50 2HB ASP 50 0.760 -13.941 0.181 304 2HB ASP 50 1HB ASP 50 2.351 -14.149 0.902 305 H LEU 51 H LEU 51 -0.110 -10.965 2.715 306 HA LEU 51 HA LEU 51 2.036 -9.526 1.358 307 1HB LEU 51 2HB LEU 51 -0.283 -9.436 0.408 308 2HB LEU 51 1HB LEU 51 -0.848 -8.614 1.826 309 HG LEU 51 HG LEU 51 1.098 -7.585 -0.258 310 1HD1 LEU 51 1HD1 LEU 51 -1.179 -7.616 -0.980 311 2HD1 LEU 51 2HD1 LEU 51 -0.616 -5.963 -0.728 312 3HD1 LEU 51 3HD1 LEU 51 -1.669 -6.730 0.463 313 1HD2 LEU 51 1HD2 LEU 51 1.714 -6.695 1.913 314 2HD2 LEU 51 2HD2 LEU 51 0.048 -6.167 2.161 315 3HD2 LEU 51 3HD2 LEU 51 1.019 -5.455 0.871 316 HA PRO 52 HA PRO 52 2.980 -8.203 5.735 317 1HB PRO 52 2HB PRO 52 4.839 -6.731 4.010 318 2HB PRO 52 1HB PRO 52 5.091 -7.524 5.565 319 1HG PRO 52 2HG PRO 52 5.931 -8.608 3.258 320 2HG PRO 52 1HG PRO 52 5.285 -9.639 4.533 321 1HD PRO 52 2HD PRO 52 4.047 -8.755 1.974 322 2HD PRO 52 1HD PRO 52 3.783 -10.253 2.887 323 H ILE 53 H ILE 53 2.045 -6.507 6.526 324 HA ILE 53 HA ILE 53 1.668 -4.122 4.838 325 HB ILE 53 HB ILE 53 -0.565 -5.403 6.467 326 1HG1 ILE 53 2HG1 ILE 53 -0.253 -4.952 3.499 327 2HG1 ILE 53 1HG1 ILE 53 -0.006 -6.480 4.321 328 1HG2 ILE 53 1HG2 ILE 53 -0.604 -2.846 4.834 329 2HG2 ILE 53 2HG2 ILE 53 -0.738 -2.950 6.592 330 3HG2 ILE 53 3HG2 ILE 53 -2.010 -3.617 5.568 331 1HD1 ILE 53 1HD1 ILE 53 -2.355 -6.537 4.919 332 2HD1 ILE 53 2HD1 ILE 53 -2.146 -6.359 3.171 333 3HD1 ILE 53 3HD1 ILE 53 -2.589 -4.971 4.147 334 H LEU 54 H LEU 54 2.896 -2.710 5.786 335 HA LEU 54 HA LEU 54 2.541 -2.216 8.676 336 1HB LEU 54 2HB LEU 54 4.939 -1.582 6.922 337 2HB LEU 54 1HB LEU 54 4.770 -1.092 8.583 338 HG LEU 54 HG LEU 54 6.294 -2.861 8.547 339 1HD1 LEU 54 1HD1 LEU 54 3.679 -3.959 9.480 340 2HD1 LEU 54 2HD1 LEU 54 4.828 -2.985 10.398 341 3HD1 LEU 54 3HD1 LEU 54 5.267 -4.613 9.880 342 1HD2 LEU 54 1HD2 LEU 54 4.326 -4.502 6.952 343 2HD2 LEU 54 2HD2 LEU 54 5.870 -5.083 7.577 344 3HD2 LEU 54 3HD2 LEU 54 5.835 -3.810 6.354 345 H ILE 55 H ILE 55 1.572 -0.301 9.138 346 HA ILE 55 HA ILE 55 1.352 1.681 7.017 347 HB ILE 55 HB ILE 55 -0.784 1.201 8.106 348 1HG1 ILE 55 2HG1 ILE 55 -1.523 3.408 8.874 349 2HG1 ILE 55 1HG1 ILE 55 0.153 3.911 9.118 350 1HG2 ILE 55 1HG2 ILE 55 -0.022 0.310 10.196 351 2HG2 ILE 55 2HG2 ILE 55 -1.215 1.578 10.475 352 3HG2 ILE 55 3HG2 ILE 55 0.502 1.909 10.721 353 1HD1 ILE 55 1HD1 ILE 55 -1.191 3.241 6.516 354 2HD1 ILE 55 2HD1 ILE 55 0.496 3.722 6.703 355 3HD1 ILE 55 3HD1 ILE 55 -0.794 4.852 7.114 356 H ARG 56 H ARG 56 2.700 3.169 6.889 357 HA ARG 56 HA ARG 56 4.366 3.814 9.204 358 1HB ARG 56 2HB ARG 56 5.097 3.995 6.292 359 2HB ARG 56 1HB ARG 56 6.127 4.481 7.625 360 1HG ARG 56 2HG ARG 56 5.175 1.696 6.999 361 2HG ARG 56 1HG ARG 56 6.823 2.317 6.900 362 1HD ARG 56 2HD ARG 56 5.175 2.002 9.412 363 2HD ARG 56 1HD ARG 56 6.511 0.971 8.914 364 HE ARG 56 HE ARG 56 7.404 3.632 9.070 365 1HH1 ARG 56 1HH1 ARG 56 6.195 1.152 11.328 366 2HH1 ARG 56 2HH1 ARG 56 7.292 1.587 12.570 367 1HH2 ARG 56 1HH2 ARG 56 8.852 4.226 10.797 368 2HH2 ARG 56 2HH2 ARG 56 8.847 3.366 12.256 369 H GLU 57 H GLU 57 5.554 5.950 8.811 370 HA GLU 57 HA GLU 57 3.412 7.910 8.860 371 1HB GLU 57 2HB GLU 57 4.460 7.242 11.031 372 2HB GLU 57 1HB GLU 57 5.993 7.851 10.442 373 1HG GLU 57 2HG GLU 57 4.968 9.419 11.958 374 2HG GLU 57 1HG GLU 57 5.049 10.095 10.333 375 H CYS 58 H CYS 58 4.271 10.187 8.704 376 HA CYS 58 HA CYS 58 4.782 11.313 6.426 377 1HB CYS 58 2HB CYS 58 6.406 12.150 8.822 378 2HB CYS 58 1HB CYS 58 5.861 13.169 7.498 379 H SER 59 H SER 59 6.142 11.238 4.775 380 HA SER 59 HA SER 59 8.953 10.715 5.216 381 1HB SER 59 2HB SER 59 8.552 8.801 3.361 382 2HB SER 59 1HB SER 59 8.572 8.498 5.103 383 HG SER 59 HG SER 59 6.530 8.288 5.164 384 H ASP 60 H ASP 60 6.358 11.309 2.764 385 HA ASP 60 HA ASP 60 8.270 12.798 1.180 386 1HB ASP 60 2HB ASP 60 6.545 10.521 0.135 387 2HB ASP 60 1HB ASP 60 7.433 11.646 -0.870 388 H VAL 61 H VAL 61 5.847 12.399 -0.837 389 HA VAL 61 HA VAL 61 4.381 14.663 -0.103 390 HB VAL 61 HB VAL 61 3.533 12.356 -1.910 391 1HG1 VAL 61 1HG1 VAL 61 2.411 15.151 -1.721 392 2HG1 VAL 61 2HG1 VAL 61 1.600 13.669 -1.211 393 3HG1 VAL 61 3HG1 VAL 61 1.956 13.936 -2.918 394 1HG2 VAL 61 1HG2 VAL 61 5.574 13.433 -2.668 395 2HG2 VAL 61 2HG2 VAL 61 4.786 15.011 -2.575 396 3HG2 VAL 61 3HG2 VAL 61 4.226 13.814 -3.740 397 H GLN 62 H GLN 62 3.095 11.352 -0.166 398 HA GLN 62 HA GLN 62 2.328 11.477 2.405 399 1HB GLN 62 2HB GLN 62 0.673 13.197 1.678 400 2HB GLN 62 1HB GLN 62 -0.144 11.964 0.714 401 1HG GLN 62 2HG GLN 62 -0.694 10.715 2.688 402 2HG GLN 62 1HG GLN 62 0.255 11.805 3.692 403 1HE2 GLN 62 1HE2 GLN 62 -2.753 11.268 2.121 404 2HE2 GLN 62 2HE2 GLN 62 -3.533 12.680 2.718 405 HA PRO 63 HA PRO 63 0.463 7.451 1.282 406 1HB PRO 63 2HB PRO 63 -1.063 7.042 -0.901 407 2HB PRO 63 1HB PRO 63 -1.685 7.790 0.560 408 1HG PRO 63 2HG PRO 63 -1.192 8.967 -2.055 409 2HG PRO 63 1HG PRO 63 -2.064 9.673 -0.691 410 1HD PRO 63 2HD PRO 63 0.679 10.127 -1.583 411 2HD PRO 63 1HD PRO 63 -0.263 11.031 -0.381 412 H LYS 64 H LYS 64 2.652 6.751 0.805 413 HA LYS 64 HA LYS 64 3.086 6.022 -2.081 414 1HB LYS 64 2HB LYS 64 5.208 6.120 0.115 415 2HB LYS 64 1HB LYS 64 5.474 5.667 -1.547 416 1HG LYS 64 2HG LYS 64 6.392 7.763 -1.096 417 2HG LYS 64 1HG LYS 64 5.020 8.051 -2.204 418 1HD LYS 64 2HD LYS 64 4.938 9.757 -0.485 419 2HD LYS 64 1HD LYS 64 3.731 8.498 -0.165 420 1HE LYS 64 2HE LYS 64 5.282 7.401 1.395 421 2HE LYS 64 1HE LYS 64 6.474 8.655 1.088 422 1HZ LYS 64 1HZ LYS 64 3.849 8.998 2.424 423 2HZ LYS 64 2HZ LYS 64 4.900 10.258 2.107 424 3HZ LYS 64 3HZ LYS 64 5.375 9.009 3.155 425 H LEU 65 H LEU 65 3.662 4.030 -2.594 426 HA LEU 65 HA LEU 65 2.827 2.000 -0.664 427 1HB LEU 65 2HB LEU 65 2.045 2.425 -3.141 428 2HB LEU 65 1HB LEU 65 3.531 1.698 -3.491 429 HG LEU 65 HG LEU 65 3.069 -0.405 -2.494 430 1HD1 LEU 65 1HD1 LEU 65 0.953 -0.929 -1.411 431 2HD1 LEU 65 2HD1 LEU 65 0.462 0.761 -1.557 432 3HD1 LEU 65 3HD1 LEU 65 1.841 0.326 -0.548 433 1HD2 LEU 65 1HD2 LEU 65 2.226 -0.063 -4.764 434 2HD2 LEU 65 2HD2 LEU 65 0.689 0.502 -4.103 435 3HD2 LEU 65 3HD2 LEU 65 1.193 -1.165 -3.852 436 H TRP 66 H TRP 66 4.822 1.572 0.498 437 HA TRP 66 HA TRP 66 7.012 1.208 -1.254 438 1HB TRP 66 2HB TRP 66 7.809 2.107 0.817 439 2HB TRP 66 1HB TRP 66 6.822 1.002 1.778 440 HD1 TRP 66 HD TRP 66 7.919 -1.298 2.469 441 HE1 TRP 66 1HE TRP 66 10.155 -2.449 1.998 442 HE3 TRP 66 3HE TRP 66 9.698 1.964 -0.947 443 HZ2 TRP 66 2HZ TRP 66 12.419 -1.972 0.303 444 HZ3 TRP 66 3HZ TRP 66 11.856 1.563 -1.956 445 HH2 TRP 66 HH TRP 66 13.158 -0.283 -1.423 446 H ALA 67 H ALA 67 7.639 -0.699 -1.955 447 HA ALA 67 HA ALA 67 6.612 -3.116 -0.772 448 1HB ALA 67 1HB ALA 67 6.718 -2.534 -3.722 449 2HB ALA 67 2HB ALA 67 5.263 -2.714 -2.742 450 3HB ALA 67 3HB ALA 67 6.330 -4.095 -3.003 451 H ARG 68 H ARG 68 8.229 -4.604 -0.540 452 HA ARG 68 HA ARG 68 10.501 -4.413 -2.285 453 1HB ARG 68 2HB ARG 68 11.111 -3.566 0.063 454 2HB ARG 68 1HB ARG 68 10.710 -5.181 0.648 455 1HG ARG 68 2HG ARG 68 13.002 -5.325 0.351 456 2HG ARG 68 1HG ARG 68 12.326 -5.982 -1.150 457 1HD ARG 68 2HD ARG 68 12.621 -3.480 -2.039 458 2HD ARG 68 1HD ARG 68 13.693 -3.365 -0.681 459 HE ARG 68 HE ARG 68 14.232 -5.693 -2.209 460 1HH1 ARG 68 1HH1 ARG 68 15.226 -2.394 -1.603 461 2HH1 ARG 68 2HH1 ARG 68 16.509 -2.369 -2.722 462 1HH2 ARG 68 1HH2 ARG 68 16.071 -5.776 -3.693 463 2HH2 ARG 68 2HH2 ARG 68 16.971 -4.366 -3.976 464 H TYR 69 H TYR 69 9.850 -5.808 -3.340 465 HA TYR 69 HA TYR 69 8.190 -8.073 -2.659 466 1HB TYR 69 2HB TYR 69 9.838 -7.857 -5.181 467 2HB TYR 69 1HB TYR 69 8.403 -8.829 -4.926 468 HD1 TYR 69 1HD TYR 69 9.708 -5.741 -6.057 469 HD2 TYR 69 2HD TYR 69 6.203 -7.565 -4.525 470 HE1 TYR 69 1HE TYR 69 8.357 -3.935 -7.000 471 HE2 TYR 69 2HE TYR 69 4.859 -5.788 -5.446 472 HH TYR 69 HH TYR 69 5.949 -3.690 -7.758 473 H ALA 70 H ALA 70 8.759 -10.390 -3.109 474 HA ALA 70 HA ALA 70 11.479 -11.064 -2.261 475 1HB ALA 70 1HB ALA 70 9.115 -12.883 -2.855 476 2HB ALA 70 2HB ALA 70 9.522 -12.276 -1.247 477 3HB ALA 70 3HB ALA 70 10.633 -13.357 -2.089 478 H PHE 71 H PHE 71 9.894 -10.430 -5.047 479 HA PHE 71 HA PHE 71 11.617 -11.917 -6.761 480 1HB PHE 71 2HB PHE 71 10.242 -9.235 -7.203 481 2HB PHE 71 1HB PHE 71 10.923 -10.260 -8.463 482 HD1 PHE 71 1HD PHE 71 8.056 -9.563 -6.414 483 HD2 PHE 71 2HD PHE 71 9.863 -12.490 -8.912 484 HE1 PHE 71 1HE PHE 71 5.892 -10.705 -6.633 485 HE2 PHE 71 2HE PHE 71 7.700 -13.636 -9.135 486 HZ PHE 71 HZ PHE 71 5.713 -12.741 -7.996 487 H GLY 72 H GLY 72 11.787 -9.357 -4.605 488 1HA GLY 72 2HA GLY 72 13.465 -8.336 -3.670 489 2HA GLY 72 1HA GLY 72 14.562 -9.145 -4.760 490 H GLN 73 H GLN 73 11.810 -6.983 -5.279 491 HA GLN 73 HA GLN 73 13.591 -5.001 -6.472 492 1HB GLN 73 2HB GLN 73 10.853 -5.830 -7.442 493 2HB GLN 73 1HB GLN 73 11.698 -4.395 -7.999 494 1HG GLN 73 2HG GLN 73 13.528 -5.834 -8.812 495 2HG GLN 73 1HG GLN 73 12.587 -7.245 -8.331 496 1HE2 GLN 73 1HE2 GLN 73 11.137 -4.352 -9.720 497 2HE2 GLN 73 2HE2 GLN 73 10.685 -5.101 -11.209 498 H GLU 74 H GLU 74 12.697 -2.839 -6.506 499 HA GLU 74 HA GLU 74 11.459 -2.210 -3.946 500 1HB GLU 74 2HB GLU 74 13.188 -0.739 -5.848 501 2HB GLU 74 1HB GLU 74 12.170 0.139 -4.716 502 1HG GLU 74 2HG GLU 74 13.096 -0.953 -2.942 503 2HG GLU 74 1HG GLU 74 14.144 -1.964 -3.956 504 H THR 75 H THR 75 9.855 -0.858 -3.725 505 HA THR 75 HA THR 75 8.671 0.547 -5.926 506 HB THR 75 HB THR 75 7.329 -1.638 -4.381 507 HG1 THR 75 1HG THR 75 6.708 -2.376 -6.358 508 1HG2 THR 75 1HG2 THR 75 5.150 -0.931 -5.338 509 2HG2 THR 75 2HG2 THR 75 5.901 0.606 -5.831 510 3HG2 THR 75 3HG2 THR 75 5.820 0.132 -4.119 511 H ASN 76 H ASN 76 8.277 2.433 -5.105 512 HA ASN 76 HA ASN 76 7.183 2.682 -2.467 513 1HB ASN 76 2HB ASN 76 8.851 4.590 -1.860 514 2HB ASN 76 1HB ASN 76 9.386 2.934 -1.648 515 1HD2 ASN 76 1HD2 ASN 76 11.241 2.178 -2.857 516 2HD2 ASN 76 2HD2 ASN 76 12.052 3.255 -3.929 517 H VAL 77 H VAL 77 5.312 3.392 -3.334 518 HA VAL 77 HA VAL 77 5.662 5.983 -4.644 519 HB VAL 77 HB VAL 77 6.167 4.867 -6.119 520 1HG1 VAL 77 1HG1 VAL 77 3.628 3.136 -6.032 521 2HG1 VAL 77 2HG1 VAL 77 5.280 2.581 -5.765 522 3HG1 VAL 77 3HG1 VAL 77 4.737 2.973 -7.396 523 1HG2 VAL 77 1HG2 VAL 77 4.563 5.234 -8.155 524 2HG2 VAL 77 2HG2 VAL 77 4.923 6.599 -7.100 525 3HG2 VAL 77 3HG2 VAL 77 3.401 5.729 -6.923 526 HA PRO 78 HA PRO 78 1.978 7.815 -3.219 527 1HB PRO 78 2HB PRO 78 2.525 9.192 -5.815 528 2HB PRO 78 1HB PRO 78 2.129 9.890 -4.235 529 1HG PRO 78 2HG PRO 78 4.625 9.925 -5.097 530 2HG PRO 78 1HG PRO 78 4.271 9.546 -3.400 531 1HD PRO 78 2HD PRO 78 4.990 7.665 -5.631 532 2HD PRO 78 1HD PRO 78 5.479 7.522 -3.956 533 H LEU 79 H LEU 79 0.437 6.568 -3.366 534 HA LEU 79 HA LEU 79 -0.573 5.764 -5.952 535 1HB LEU 79 2HB LEU 79 -1.652 3.863 -4.673 536 2HB LEU 79 1HB LEU 79 0.114 4.030 -4.608 537 HG LEU 79 HG LEU 79 0.110 4.644 -2.340 538 1HD1 LEU 79 1HD1 LEU 79 -1.956 5.979 -2.248 539 2HD1 LEU 79 2HD1 LEU 79 -1.922 4.743 -0.988 540 3HD1 LEU 79 3HD1 LEU 79 -2.906 4.506 -2.433 541 1HD2 LEU 79 1HD2 LEU 79 0.036 2.299 -2.834 542 2HD2 LEU 79 2HD2 LEU 79 -1.720 2.323 -2.888 543 3HD2 LEU 79 3HD2 LEU 79 -0.881 2.617 -1.361 544 H ASN 80 H ASN 80 -0.904 8.265 -4.685 545 HA ASN 80 HA ASN 80 -3.316 8.952 -3.578 546 1HB ASN 80 2HB ASN 80 -1.564 10.551 -3.755 547 2HB ASN 80 1HB ASN 80 -1.550 10.488 -5.496 548 1HD2 ASN 80 1HD2 ASN 80 -4.479 10.798 -3.540 549 2HD2 ASN 80 2HD2 ASN 80 -4.822 12.414 -3.978 550 H ASN 81 H ASN 81 -2.807 8.135 -6.798 551 HA ASN 81 HA ASN 81 -5.407 9.215 -7.697 552 1HB ASN 81 2HB ASN 81 -3.226 7.819 -9.239 553 2HB ASN 81 1HB ASN 81 -4.765 8.284 -9.946 554 1HD2 ASN 81 1HD2 ASN 81 -1.761 9.418 -8.615 555 2HD2 ASN 81 2HD2 ASN 81 -1.864 11.019 -9.252 556 H PHE 82 H PHE 82 -4.758 6.402 -6.094 557 HA PHE 82 HA PHE 82 -6.682 4.979 -7.752 558 1HB PHE 82 2HB PHE 82 -4.471 3.809 -6.064 559 2HB PHE 82 1HB PHE 82 -5.627 2.910 -7.038 560 HD1 PHE 82 1HD PHE 82 -5.600 3.311 -9.564 561 HD2 PHE 82 2HD PHE 82 -2.455 4.531 -6.975 562 HE1 PHE 82 1HE PHE 82 -4.069 3.440 -11.490 563 HE2 PHE 82 2HE PHE 82 -0.920 4.663 -8.892 564 HZ PHE 82 HZ PHE 82 -1.730 4.117 -11.154 565 H SER 83 H SER 83 -8.086 3.771 -6.835 566 HA SER 83 HA SER 83 -9.219 4.818 -4.373 567 1HB SER 83 2HB SER 83 -10.234 3.005 -6.515 568 2HB SER 83 1HB SER 83 -11.232 3.582 -5.160 569 HG SER 83 HG SER 83 -9.822 5.410 -6.804 570 H ALA 84 H ALA 84 -10.450 3.218 -2.959 571 HA ALA 84 HA ALA 84 -8.868 1.848 -1.288 572 1HB ALA 84 1HB ALA 84 -11.742 1.271 -1.872 573 2HB ALA 84 2HB ALA 84 -11.051 2.493 -0.781 574 3HB ALA 84 3HB ALA 84 -10.856 0.784 -0.422 575 H ASP 85 H ASP 85 -11.090 0.122 -3.526 576 HA ASP 85 HA ASP 85 -10.090 -2.477 -2.837 577 1HB ASP 85 2HB ASP 85 -12.399 -1.892 -3.726 578 2HB ASP 85 1HB ASP 85 -11.644 -1.764 -5.279 579 H GLN 86 H GLN 86 -9.932 -0.396 -5.464 580 HA GLN 86 HA GLN 86 -8.254 -1.968 -7.184 581 1HB GLN 86 2HB GLN 86 -9.599 0.202 -7.790 582 2HB GLN 86 1HB GLN 86 -8.153 1.040 -7.258 583 1HG GLN 86 2HG GLN 86 -7.854 -1.130 -9.284 584 2HG GLN 86 1HG GLN 86 -8.590 0.369 -9.797 585 1HE2 GLN 86 1HE2 GLN 86 -5.920 0.292 -7.454 586 2HE2 GLN 86 2HE2 GLN 86 -4.768 0.966 -8.545 587 H VAL 87 H VAL 87 -7.194 0.464 -4.758 588 HA VAL 87 HA VAL 87 -4.515 -0.122 -5.386 589 HB VAL 87 HB VAL 87 -3.831 0.644 -3.098 590 1HG1 VAL 87 1HG1 VAL 87 -5.715 2.502 -4.480 591 2HG1 VAL 87 2HG1 VAL 87 -4.006 2.264 -4.844 592 3HG1 VAL 87 3HG1 VAL 87 -4.492 2.955 -3.295 593 1HG2 VAL 87 1HG2 VAL 87 -5.420 1.640 -1.622 594 2HG2 VAL 87 2HG2 VAL 87 -5.688 -0.089 -1.833 595 3HG2 VAL 87 3HG2 VAL 87 -6.750 1.074 -2.643 596 H THR 88 H THR 88 -6.716 -1.741 -3.097 597 HA THR 88 HA THR 88 -4.607 -3.425 -2.291 598 HB THR 88 HB THR 88 -6.301 -4.863 -1.195 599 HG1 THR 88 1HG THR 88 -7.988 -3.688 -3.038 600 1HG2 THR 88 1HG2 THR 88 -7.143 -3.113 0.257 601 2HG2 THR 88 2HG2 THR 88 -6.721 -1.904 -0.956 602 3HG2 THR 88 3HG2 THR 88 -5.454 -2.844 -0.168 603 H ARG 89 H ARG 89 -6.746 -3.775 -4.835 604 HA ARG 89 HA ARG 89 -5.964 -6.472 -5.546 605 1HB ARG 89 2HB ARG 89 -8.179 -5.542 -6.190 606 2HB ARG 89 1HB ARG 89 -7.376 -4.354 -7.202 607 1HG ARG 89 2HG ARG 89 -8.266 -6.128 -8.565 608 2HG ARG 89 1HG ARG 89 -6.502 -6.177 -8.604 609 1HD ARG 89 2HD ARG 89 -6.509 -7.992 -6.974 610 2HD ARG 89 1HD ARG 89 -8.270 -7.922 -6.885 611 HE ARG 89 HE ARG 89 -7.349 -8.292 -9.550 612 1HH1 ARG 89 1HH1 ARG 89 -7.870 -10.077 -6.550 613 2HH1 ARG 89 2HH1 ARG 89 -8.204 -11.565 -7.332 614 1HH2 ARG 89 1HH2 ARG 89 -7.833 -10.319 -10.612 615 2HH2 ARG 89 2HH2 ARG 89 -8.131 -11.714 -9.687 616 H ALA 90 H ALA 90 -5.187 -3.209 -6.672 617 HA ALA 90 HA ALA 90 -3.213 -3.929 -8.595 618 1HB ALA 90 1HB ALA 90 -4.120 -1.625 -8.390 619 2HB ALA 90 2HB ALA 90 -2.357 -1.665 -8.364 620 3HB ALA 90 3HB ALA 90 -3.257 -1.449 -6.862 621 H LEU 91 H LEU 91 -2.959 -3.410 -5.084 622 HA LEU 91 HA LEU 91 -0.235 -3.913 -4.895 623 1HB LEU 91 2HB LEU 91 -2.443 -4.514 -2.877 624 2HB LEU 91 1HB LEU 91 -0.889 -5.218 -2.714 625 HG LEU 91 HG LEU 91 0.227 -3.084 -2.551 626 1HD1 LEU 91 1HD1 LEU 91 -0.977 -1.002 -2.317 627 2HD1 LEU 91 2HD1 LEU 91 -2.484 -1.828 -2.729 628 3HD1 LEU 91 3HD1 LEU 91 -1.188 -1.709 -3.918 629 1HD2 LEU 91 1HD2 LEU 91 -0.649 -2.385 -0.384 630 2HD2 LEU 91 2HD2 LEU 91 -0.526 -4.138 -0.528 631 3HD2 LEU 91 3HD2 LEU 91 -2.098 -3.350 -0.671 632 H GLU 92 H GLU 92 -2.878 -6.246 -4.773 633 HA GLU 92 HA GLU 92 -1.173 -8.511 -4.749 634 1HB GLU 92 2HB GLU 92 -3.747 -8.539 -4.384 635 2HB GLU 92 1HB GLU 92 -3.865 -8.346 -6.103 636 1HG GLU 92 2HG GLU 92 -2.608 -10.456 -6.447 637 2HG GLU 92 1HG GLU 92 -2.695 -10.727 -4.709 638 H ASN 93 H ASN 93 -2.515 -6.826 -7.460 639 HA ASN 93 HA ASN 93 -1.490 -8.244 -9.595 640 1HB ASN 93 2HB ASN 93 -1.984 -5.357 -9.033 641 2HB ASN 93 1HB ASN 93 -1.188 -5.691 -10.529 642 1HD2 ASN 93 1HD2 ASN 93 -3.727 -7.829 -9.200 643 2HD2 ASN 93 2HD2 ASN 93 -4.912 -7.353 -10.344 644 H VAL 94 H VAL 94 0.056 -5.398 -8.123 645 HA VAL 94 HA VAL 94 2.524 -5.761 -9.371 646 HB VAL 94 HB VAL 94 3.489 -4.382 -7.707 647 1HG1 VAL 94 1HG1 VAL 94 1.058 -3.281 -9.190 648 2HG1 VAL 94 2HG1 VAL 94 2.697 -3.422 -9.832 649 3HG1 VAL 94 3HG1 VAL 94 2.342 -2.242 -8.570 650 1HG2 VAL 94 1HG2 VAL 94 2.120 -4.566 -5.799 651 2HG2 VAL 94 2HG2 VAL 94 0.705 -3.972 -6.667 652 3HG2 VAL 94 3HG2 VAL 94 2.041 -2.879 -6.307 653 H LEU 95 H LEU 95 1.535 -6.826 -6.224 654 HA LEU 95 HA LEU 95 4.298 -7.400 -6.019 655 1HB LEU 95 2HB LEU 95 3.970 -7.740 -3.593 656 2HB LEU 95 1HB LEU 95 3.593 -6.155 -4.230 657 HG LEU 95 HG LEU 95 1.193 -6.925 -4.259 658 1HD1 LEU 95 1HD1 LEU 95 1.473 -9.285 -3.872 659 2HD1 LEU 95 2HD1 LEU 95 0.459 -8.524 -2.661 660 3HD1 LEU 95 3HD1 LEU 95 2.130 -8.961 -2.259 661 1HD2 LEU 95 1HD2 LEU 95 0.868 -6.274 -1.938 662 2HD2 LEU 95 2HD2 LEU 95 1.972 -5.232 -2.836 663 3HD2 LEU 95 3HD2 LEU 95 2.608 -6.417 -1.694 664 H SER 96 H SER 96 1.476 -9.199 -6.285 665 HA SER 96 HA SER 96 3.024 -11.321 -5.389 666 1HB SER 96 2HB SER 96 0.239 -11.354 -6.591 667 2HB SER 96 1HB SER 96 1.052 -12.794 -5.967 668 HG SER 96 HG SER 96 -0.398 -11.394 -4.504 669 H GLY 97 H GLY 97 2.382 -9.690 -8.480 670 1HA GLY 97 2HA GLY 97 4.598 -11.156 -9.480 671 2HA GLY 97 1HA GLY 97 3.101 -11.727 -10.181 672 H LYS 98 H LYS 98 3.882 -8.265 -9.419 673 HA LYS 98 HA LYS 98 3.656 -7.991 -12.370 674 1HB LYS 98 2HB LYS 98 2.429 -6.480 -10.481 675 2HB LYS 98 1HB LYS 98 3.856 -5.527 -10.780 676 1HG LYS 98 2HG LYS 98 1.849 -6.327 -12.888 677 2HG LYS 98 1HG LYS 98 1.936 -4.760 -12.099 678 1HD LYS 98 2HD LYS 98 4.183 -4.432 -13.064 679 2HD LYS 98 1HD LYS 98 4.044 -5.997 -13.875 680 1HE LYS 98 2HE LYS 98 2.032 -5.164 -15.049 681 2HE LYS 98 1HE LYS 98 2.265 -3.595 -14.284 682 1HZ LYS 98 1HZ LYS 98 4.416 -3.437 -15.401 683 2HZ LYS 98 2HZ LYS 98 3.137 -3.612 -16.505 684 3HZ LYS 98 3HZ LYS 98 4.129 -4.932 -16.155 685 H ALA 99 H ALA 99 5.508 -7.199 -9.767 686 HA ALA 99 HA ALA 99 7.759 -6.482 -11.525 687 1HB ALA 99 1HB ALA 99 6.846 -4.543 -10.386 688 2HB ALA 99 2HB ALA 99 8.491 -4.873 -9.822 689 3HB ALA 99 3HB ALA 99 7.090 -5.323 -8.833 Start of MODEL 2 1 H GLY 15 H GLY 15 2.566 -10.879 -1.458 2 1HA GLY 15 1HA GLY 15 3.491 -13.286 -2.925 3 2HA GLY 15 2HA GLY 15 2.762 -11.890 -3.716 4 H LEU 16 H LEU 16 4.571 -11.144 -0.912 5 HA LEU 16 HA LEU 16 6.978 -10.715 -2.287 6 1HB LEU 16 2HB LEU 16 6.942 -8.210 -1.833 7 2HB LEU 16 1HB LEU 16 6.119 -8.804 -3.243 8 HG LEU 16 HG LEU 16 4.020 -8.118 -2.444 9 1HD1 LEU 16 1HD1 LEU 16 3.533 -7.559 -0.153 10 2HD1 LEU 16 2HD1 LEU 16 5.206 -7.925 0.314 11 3HD1 LEU 16 3HD1 LEU 16 4.131 -9.216 -0.280 12 1HD2 LEU 16 1HD2 LEU 16 4.339 -5.874 -1.604 13 2HD2 LEU 16 2HD2 LEU 16 5.445 -6.258 -2.921 14 3HD2 LEU 16 3HD2 LEU 16 6.027 -6.244 -1.254 15 H ARG 17 H ARG 17 7.965 -8.680 -0.614 16 HA ARG 17 HA ARG 17 8.096 -10.273 1.813 17 1HB ARG 17 2HB ARG 17 10.086 -8.373 0.613 18 2HB ARG 17 1HB ARG 17 10.296 -9.258 2.119 19 1HG ARG 17 2HG ARG 17 10.176 -11.365 0.910 20 2HG ARG 17 1HG ARG 17 9.912 -10.470 -0.596 21 1HD ARG 17 2HD ARG 17 12.241 -11.226 -0.322 22 2HD ARG 17 1HD ARG 17 12.088 -9.476 -0.448 23 HE ARG 17 HE ARG 17 12.519 -9.291 1.859 24 1HH1 ARG 17 1HH1 ARG 17 12.819 -12.622 0.741 25 2HH1 ARG 17 2HH1 ARG 17 14.049 -13.034 1.845 26 1HH2 ARG 17 1HH2 ARG 17 14.174 -9.870 3.414 27 2HH2 ARG 17 2HH2 ARG 17 14.789 -11.457 3.455 28 H GLU 18 H GLU 18 7.362 -7.034 0.576 29 HA GLU 18 HA GLU 18 6.654 -6.253 3.367 30 1HB GLU 18 2HB GLU 18 9.129 -5.873 2.926 31 2HB GLU 18 1HB GLU 18 8.649 -4.709 1.730 32 1HG GLU 18 2HG GLU 18 9.297 -3.546 3.641 33 2HG GLU 18 1HG GLU 18 7.551 -3.391 3.539 34 H ILE 19 H ILE 19 4.523 -4.874 3.168 35 HA ILE 19 HA ILE 19 4.828 -2.825 1.147 36 HB ILE 19 HB ILE 19 2.343 -4.304 2.004 37 1HG1 ILE 19 2HG1 ILE 19 3.558 -5.066 -0.002 38 2HG1 ILE 19 1HG1 ILE 19 1.916 -4.547 -0.356 39 1HG2 ILE 19 1HG2 ILE 19 1.759 -1.974 2.314 40 2HG2 ILE 19 2HG2 ILE 19 0.923 -2.618 0.899 41 3HG2 ILE 19 3HG2 ILE 19 2.336 -1.584 0.691 42 1HD1 ILE 19 1HD1 ILE 19 3.466 -3.796 -2.059 43 2HD1 ILE 19 2HD1 ILE 19 4.420 -2.952 -0.836 44 3HD1 ILE 19 3HD1 ILE 19 2.776 -2.423 -1.195 45 H ARG 20 H ARG 20 4.939 -0.949 1.906 46 HA ARG 20 HA ARG 20 4.003 -0.457 4.635 47 1HB ARG 20 2HB ARG 20 6.616 0.487 3.465 48 2HB ARG 20 1HB ARG 20 5.944 1.058 4.988 49 1HG ARG 20 2HG ARG 20 6.038 -1.213 5.876 50 2HG ARG 20 1HG ARG 20 6.712 -1.775 4.347 51 1HD ARG 20 2HD ARG 20 8.646 -0.339 4.664 52 2HD ARG 20 1HD ARG 20 7.965 0.255 6.182 53 HE ARG 20 HE ARG 20 8.020 -2.477 6.364 54 1HH1 ARG 20 1HH1 ARG 20 10.503 0.006 5.810 55 2HH1 ARG 20 2HH1 ARG 20 11.682 -0.794 6.743 56 1HH2 ARG 20 1HH2 ARG 20 9.675 -3.556 7.624 57 2HH2 ARG 20 2HH2 ARG 20 11.225 -2.835 7.760 58 H ILE 21 H ILE 21 2.501 0.905 4.581 59 HA ILE 21 HA ILE 21 2.131 2.727 2.364 60 HB ILE 21 HB ILE 21 0.675 3.482 4.589 61 1HG1 ILE 21 2HG1 ILE 21 0.151 0.544 4.030 62 2HG1 ILE 21 1HG1 ILE 21 1.066 1.132 5.414 63 1HG2 ILE 21 1HG2 ILE 21 -0.036 3.845 2.304 64 2HG2 ILE 21 2HG2 ILE 21 -1.288 2.901 3.112 65 3HG2 ILE 21 3HG2 ILE 21 -0.156 2.109 2.017 66 1HD1 ILE 21 1HD1 ILE 21 -1.804 1.707 4.790 67 2HD1 ILE 21 2HD1 ILE 21 -0.892 2.404 6.116 68 3HD1 ILE 21 3HD1 ILE 21 -1.183 0.657 6.073 69 H HIS 22 H HIS 22 2.874 4.691 2.459 70 HA HIS 22 HA HIS 22 3.737 5.719 5.050 71 1HB HIS 22 2HB HIS 22 4.171 6.815 2.225 72 2HB HIS 22 1HB HIS 22 4.716 7.633 3.689 73 HD1 HIS 22 1HD HIS 22 6.534 6.119 1.180 74 HD2 HIS 22 2HD HIS 22 6.077 5.051 5.196 75 HE1 HIS 22 1HE HIS 22 8.482 4.714 1.742 76 HE2 HIS 22 2HE HIS 22 8.228 4.099 4.154 77 H LEU 23 H LEU 23 2.304 6.896 6.177 78 HA LEU 23 HA LEU 23 -0.022 7.935 4.739 79 1HB LEU 23 2HB LEU 23 -0.572 5.837 5.747 80 2HB LEU 23 1HB LEU 23 0.057 6.360 7.294 81 HG LEU 23 HG LEU 23 -1.733 8.094 7.377 82 1HD1 LEU 23 1HD1 LEU 23 -3.654 7.888 5.894 83 2HD1 LEU 23 2HD1 LEU 23 -2.802 6.658 4.961 84 3HD1 LEU 23 3HD1 LEU 23 -2.185 8.309 5.009 85 1HD2 LEU 23 1HD2 LEU 23 -2.662 5.241 7.115 86 2HD2 LEU 23 2HD2 LEU 23 -3.530 6.536 7.941 87 3HD2 LEU 23 3HD2 LEU 23 -1.973 5.981 8.558 88 H CYS 24 H CYS 24 -0.558 9.943 5.309 89 HA CYS 24 HA CYS 24 -0.295 11.039 7.971 90 1HB CYS 24 2HB CYS 24 1.061 12.319 5.583 91 2HB CYS 24 1HB CYS 24 0.739 13.142 7.092 92 H GLN 25 H GLN 25 -1.258 13.311 7.854 93 HA GLN 25 HA GLN 25 -2.761 13.838 5.428 94 1HB GLN 25 2HB GLN 25 -3.774 14.234 8.273 95 2HB GLN 25 1HB GLN 25 -4.532 14.966 6.866 96 1HG GLN 25 2HG GLN 25 -4.929 12.685 5.962 97 2HG GLN 25 1HG GLN 25 -4.287 12.024 7.461 98 1HE2 GLN 25 1HE2 GLN 25 -5.528 14.069 9.139 99 2HE2 GLN 25 2HE2 GLN 25 -7.212 13.735 9.142 100 H ARG 26 H ARG 26 -1.178 15.117 4.695 101 HA ARG 26 HA ARG 26 -0.608 17.544 6.208 102 1HB ARG 26 2HB ARG 26 1.082 15.625 6.697 103 2HB ARG 26 1HB ARG 26 1.650 15.894 5.062 104 1HG ARG 26 2HG ARG 26 1.588 18.055 7.152 105 2HG ARG 26 1HG ARG 26 2.955 16.973 6.926 106 1HD ARG 26 2HD ARG 26 1.828 18.822 4.821 107 2HD ARG 26 1HD ARG 26 3.230 19.174 5.829 108 HE ARG 26 HE ARG 26 3.100 17.474 3.518 109 1HH1 ARG 26 1HH1 ARG 26 4.921 18.075 6.526 110 2HH1 ARG 26 2HH1 ARG 26 6.394 17.532 5.908 111 1HH2 ARG 26 1HH2 ARG 26 5.186 16.693 2.673 112 2HH2 ARG 26 2HH2 ARG 26 6.555 16.805 3.652 113 H SER 27 H SER 27 0.738 15.891 3.291 114 HA SER 27 HA SER 27 -0.085 18.234 1.767 115 1HB SER 27 2HB SER 27 1.883 15.991 1.183 116 2HB SER 27 1HB SER 27 1.557 17.350 0.098 117 HG SER 27 HG SER 27 2.229 18.727 1.762 118 HA PRO 28 HA PRO 28 -3.199 16.216 -0.886 119 1HB PRO 28 2HB PRO 28 -0.937 15.333 -2.660 120 2HB PRO 28 1HB PRO 28 -2.562 15.887 -3.116 121 1HG PRO 28 2HG PRO 28 -0.464 17.527 -3.193 122 2HG PRO 28 1HG PRO 28 -2.064 18.095 -2.685 123 1HD PRO 28 2HD PRO 28 0.376 17.729 -1.084 124 2HD PRO 28 1HD PRO 28 -1.083 18.672 -0.717 125 H GLY 29 H GLY 29 -3.868 14.605 0.383 126 1HA GLY 29 2HA GLY 29 -2.299 12.252 0.879 127 2HA GLY 29 1HA GLY 29 -3.921 12.578 1.477 128 H SER 30 H SER 30 -4.906 10.684 0.942 129 HA SER 30 HA SER 30 -5.627 10.446 -1.788 130 1HB SER 30 2HB SER 30 -3.342 9.220 -1.658 131 2HB SER 30 1HB SER 30 -4.254 8.161 -0.556 132 HG SER 30 HG SER 30 -5.261 8.600 -3.124 133 H GLN 31 H GLN 31 -7.140 9.085 -2.027 134 HA GLN 31 HA GLN 31 -8.700 8.434 0.372 135 1HB GLN 31 2HB GLN 31 -10.712 8.323 -1.003 136 2HB GLN 31 1HB GLN 31 -9.912 9.853 -1.302 137 1HG GLN 31 2HG GLN 31 -9.036 9.004 -3.400 138 2HG GLN 31 1HG GLN 31 -9.773 7.431 -3.084 139 1HE2 GLN 31 1HE2 GLN 31 -10.216 9.259 -5.298 140 2HE2 GLN 31 2HE2 GLN 31 -11.908 9.592 -5.279 141 H GLY 32 H GLY 32 -7.034 7.356 -2.366 142 1HA GLY 32 2HA GLY 32 -7.713 4.678 -2.413 143 2HA GLY 32 1HA GLY 32 -6.137 5.356 -2.850 144 H VAL 33 H VAL 33 -5.332 6.541 -0.620 145 HA VAL 33 HA VAL 33 -4.655 4.186 0.878 146 HB VAL 33 HB VAL 33 -3.512 5.596 2.656 147 1HG1 VAL 33 1HG1 VAL 33 -2.482 5.811 -0.130 148 2HG1 VAL 33 2HG1 VAL 33 -2.234 4.488 1.010 149 3HG1 VAL 33 3HG1 VAL 33 -1.539 6.077 1.333 150 1HG2 VAL 33 1HG2 VAL 33 -3.915 7.833 0.682 151 2HG2 VAL 33 2HG2 VAL 33 -2.860 7.886 2.095 152 3HG2 VAL 33 3HG2 VAL 33 -4.605 7.728 2.299 153 H ARG 34 H ARG 34 -6.261 7.097 1.996 154 HA ARG 34 HA ARG 34 -7.252 6.550 4.405 155 1HB ARG 34 2HB ARG 34 -7.982 8.447 2.890 156 2HB ARG 34 1HB ARG 34 -9.127 7.331 2.211 157 1HG ARG 34 2HG ARG 34 -10.069 6.921 4.481 158 2HG ARG 34 1HG ARG 34 -9.078 8.252 5.067 159 1HD ARG 34 2HD ARG 34 -11.183 8.425 2.922 160 2HD ARG 34 1HD ARG 34 -11.378 8.932 4.595 161 HE ARG 34 HE ARG 34 -9.636 10.201 2.600 162 1HH1 ARG 34 1HH1 ARG 34 -11.252 10.326 5.739 163 2HH1 ARG 34 2HH1 ARG 34 -11.255 12.035 5.800 164 1HH2 ARG 34 1HH2 ARG 34 -9.656 12.544 2.726 165 2HH2 ARG 34 2HH2 ARG 34 -10.343 13.283 4.136 166 H ASP 35 H ASP 35 -9.052 5.588 1.575 167 HA ASP 35 HA ASP 35 -10.854 3.927 2.987 168 1HB ASP 35 2HB ASP 35 -10.174 4.284 0.131 169 2HB ASP 35 1HB ASP 35 -11.229 2.983 0.534 170 H PHE 36 H PHE 36 -7.919 3.079 1.197 171 HA PHE 36 HA PHE 36 -8.185 0.379 1.746 172 1HB PHE 36 2HB PHE 36 -6.487 0.706 0.208 173 2HB PHE 36 1HB PHE 36 -6.111 2.258 0.858 174 HD1 PHE 36 1HD PHE 36 -4.928 -0.962 0.165 175 HD2 PHE 36 2HD PHE 36 -4.695 2.077 3.163 176 HE1 PHE 36 1HE PHE 36 -2.721 -1.753 0.786 177 HE2 PHE 36 2HE PHE 36 -2.480 1.238 3.788 178 HZ PHE 36 HZ PHE 36 -1.484 -0.663 2.601 179 H ILE 37 H ILE 37 -6.590 2.798 3.495 180 HA ILE 37 HA ILE 37 -5.505 1.447 5.755 181 HB ILE 37 HB ILE 37 -6.834 4.081 5.979 182 1HG1 ILE 37 2HG1 ILE 37 -5.366 4.662 4.125 183 2HG1 ILE 37 1HG1 ILE 37 -4.728 5.330 5.577 184 1HG2 ILE 37 1HG2 ILE 37 -4.497 3.006 7.520 185 2HG2 ILE 37 2HG2 ILE 37 -6.135 3.301 8.096 186 3HG2 ILE 37 3HG2 ILE 37 -5.087 4.660 7.682 187 1HD1 ILE 37 1HD1 ILE 37 -3.018 3.672 5.722 188 2HD1 ILE 37 2HD1 ILE 37 -3.043 4.500 4.160 189 3HD1 ILE 37 3HD1 ILE 37 -3.676 2.856 4.284 190 H GLU 38 H GLU 38 -8.742 2.475 5.086 191 HA GLU 38 HA GLU 38 -9.563 2.278 7.899 192 1HB GLU 38 2HB GLU 38 -9.729 4.510 7.111 193 2HB GLU 38 1HB GLU 38 -10.564 4.004 5.658 194 1HG GLU 38 2HG GLU 38 -12.453 3.413 6.881 195 2HG GLU 38 1HG GLU 38 -11.691 3.814 8.444 196 H LYS 39 H LYS 39 -10.921 1.992 4.670 197 HA LYS 39 HA LYS 39 -13.222 0.530 5.559 198 1HB LYS 39 2HB LYS 39 -12.171 0.907 2.767 199 2HB LYS 39 1HB LYS 39 -13.801 0.434 3.208 200 1HG LYS 39 2HG LYS 39 -12.521 3.140 3.630 201 2HG LYS 39 1HG LYS 39 -13.695 2.727 2.388 202 1HD LYS 39 2HD LYS 39 -15.269 2.148 4.289 203 2HD LYS 39 1HD LYS 39 -14.094 2.918 5.358 204 1HE LYS 39 2HE LYS 39 -15.519 4.222 3.030 205 2HE LYS 39 1HE LYS 39 -15.855 4.494 4.733 206 1HZ LYS 39 1HZ LYS 39 -13.607 5.433 4.954 207 2HZ LYS 39 2HZ LYS 39 -14.562 6.276 3.867 208 3HZ LYS 39 3HZ LYS 39 -13.362 5.271 3.268 209 H ARG 40 H ARG 40 -10.053 -0.156 4.032 210 HA ARG 40 HA ARG 40 -11.047 -2.806 3.404 211 1HB ARG 40 2HB ARG 40 -10.308 -1.370 1.578 212 2HB ARG 40 1HB ARG 40 -8.743 -1.199 2.340 213 1HG ARG 40 2HG ARG 40 -8.504 -2.729 0.572 214 2HG ARG 40 1HG ARG 40 -8.448 -3.646 2.077 215 1HD ARG 40 2HD ARG 40 -10.668 -4.462 1.742 216 2HD ARG 40 1HD ARG 40 -10.932 -3.359 0.388 217 HE ARG 40 HE ARG 40 -8.761 -4.799 -0.349 218 1HH1 ARG 40 1HH1 ARG 40 -12.114 -5.600 0.397 219 2HH1 ARG 40 2HH1 ARG 40 -12.100 -7.076 -0.467 220 1HH2 ARG 40 1HH2 ARG 40 -8.775 -6.848 -1.606 221 2HH2 ARG 40 2HH2 ARG 40 -10.195 -7.778 -1.559 222 H TYR 41 H TYR 41 -8.829 -1.084 5.413 223 HA TYR 41 HA TYR 41 -6.521 -2.367 5.723 224 1HB TYR 41 2HB TYR 41 -7.657 -0.629 7.286 225 2HB TYR 41 1HB TYR 41 -8.271 -2.006 8.057 226 HD1 TYR 41 1HD TYR 41 -4.879 -0.771 7.132 227 HD2 TYR 41 2HD TYR 41 -7.337 -2.884 9.874 228 HE1 TYR 41 1HE TYR 41 -2.977 -0.992 8.656 229 HE2 TYR 41 2HE TYR 41 -5.470 -3.131 11.404 230 HH TYR 41 HH TYR 41 -3.080 -3.101 11.361 231 H VAL 42 H VAL 42 -9.090 -3.738 7.747 232 HA VAL 42 HA VAL 42 -7.327 -5.877 8.366 233 HB VAL 42 HB VAL 42 -8.813 -5.265 10.067 234 1HG1 VAL 42 1HG1 VAL 42 -10.352 -4.124 8.716 235 2HG1 VAL 42 2HG1 VAL 42 -11.226 -5.163 9.858 236 3HG1 VAL 42 3HG1 VAL 42 -11.090 -5.622 8.141 237 1HG2 VAL 42 1HG2 VAL 42 -10.112 -7.300 10.576 238 2HG2 VAL 42 2HG2 VAL 42 -8.483 -7.654 9.989 239 3HG2 VAL 42 3HG2 VAL 42 -9.868 -7.853 8.912 240 H GLU 43 H GLU 43 -9.894 -5.486 6.117 241 HA GLU 43 HA GLU 43 -9.954 -8.166 5.012 242 1HB GLU 43 2HB GLU 43 -11.750 -6.362 4.836 243 2HB GLU 43 1HB GLU 43 -10.659 -5.468 3.805 244 1HG GLU 43 2HG GLU 43 -12.152 -6.495 2.363 245 2HG GLU 43 1HG GLU 43 -10.701 -7.489 2.282 246 H LEU 44 H LEU 44 -7.836 -5.325 4.687 247 HA LEU 44 HA LEU 44 -6.665 -6.118 2.237 248 1HB LEU 44 2HB LEU 44 -6.658 -3.867 2.724 249 2HB LEU 44 1HB LEU 44 -6.390 -4.134 4.421 250 HG LEU 44 HG LEU 44 -4.005 -4.705 3.805 251 1HD1 LEU 44 1HD1 LEU 44 -4.337 -5.191 1.517 252 2HD1 LEU 44 2HD1 LEU 44 -3.193 -3.848 1.754 253 3HD1 LEU 44 3HD1 LEU 44 -4.866 -3.521 1.252 254 1HD2 LEU 44 1HD2 LEU 44 -5.072 -1.971 3.249 255 2HD2 LEU 44 2HD2 LEU 44 -3.408 -2.382 3.671 256 3HD2 LEU 44 3HD2 LEU 44 -4.707 -2.637 4.842 257 H LYS 45 H LYS 45 -5.998 -6.434 5.619 258 HA LYS 45 HA LYS 45 -3.480 -7.644 5.346 259 1HB LYS 45 2HB LYS 45 -4.503 -6.595 7.419 260 2HB LYS 45 1HB LYS 45 -5.447 -8.063 7.595 261 1HG LYS 45 2HG LYS 45 -3.246 -9.309 7.636 262 2HG LYS 45 1HG LYS 45 -2.471 -7.732 7.808 263 1HD LYS 45 2HD LYS 45 -2.750 -8.534 10.022 264 2HD LYS 45 1HD LYS 45 -4.056 -7.362 9.778 265 1HE LYS 45 2HE LYS 45 -4.944 -9.316 10.863 266 2HE LYS 45 1HE LYS 45 -5.583 -9.212 9.221 267 1HZ LYS 45 1HZ LYS 45 -3.762 -10.819 8.585 268 2HZ LYS 45 2HZ LYS 45 -4.962 -11.441 9.561 269 3HZ LYS 45 3HZ LYS 45 -3.464 -11.040 10.230 270 H LYS 46 H LYS 46 -6.820 -8.851 5.477 271 HA LYS 46 HA LYS 46 -5.965 -11.616 5.551 272 1HB LYS 46 2HB LYS 46 -8.202 -12.163 5.889 273 2HB LYS 46 1HB LYS 46 -8.022 -10.616 6.699 274 1HG LYS 46 2HG LYS 46 -8.871 -9.787 4.218 275 2HG LYS 46 1HG LYS 46 -9.478 -11.324 4.239 276 1HD LYS 46 2HD LYS 46 -10.130 -9.588 6.578 277 2HD LYS 46 1HD LYS 46 -11.163 -9.796 5.168 278 1HE LYS 46 2HE LYS 46 -10.224 -11.998 7.003 279 2HE LYS 46 1HE LYS 46 -11.825 -11.263 7.019 280 1HZ LYS 46 1HZ LYS 46 -10.631 -12.840 4.797 281 2HZ LYS 46 2HZ LYS 46 -12.154 -12.099 4.738 282 3HZ LYS 46 3HZ LYS 46 -11.845 -13.341 5.844 283 H ALA 47 H ALA 47 -7.033 -9.292 3.055 284 HA ALA 47 HA ALA 47 -7.806 -11.396 1.495 285 1HB ALA 47 1HB ALA 47 -7.540 -8.507 0.685 286 2HB ALA 47 2HB ALA 47 -9.001 -9.349 1.200 287 3HB ALA 47 3HB ALA 47 -8.252 -9.747 -0.345 288 H ASN 48 H ASN 48 -5.006 -9.652 2.114 289 HA ASN 48 HA ASN 48 -3.506 -10.708 -0.118 290 1HB ASN 48 2HB ASN 48 -3.014 -8.042 1.314 291 2HB ASN 48 1HB ASN 48 -2.098 -8.693 0.001 292 1HD2 ASN 48 1HD2 ASN 48 -2.395 -6.647 -1.235 293 2HD2 ASN 48 2HD2 ASN 48 -3.893 -6.382 -2.017 294 HA PRO 49 HA PRO 49 -2.579 -12.321 4.163 295 1HB PRO 49 2HB PRO 49 -1.732 -14.760 3.311 296 2HB PRO 49 1HB PRO 49 -3.439 -14.362 3.564 297 1HG PRO 49 2HG PRO 49 -1.829 -14.301 1.045 298 2HG PRO 49 1HG PRO 49 -3.407 -15.036 1.291 299 1HD PRO 49 2HD PRO 49 -3.192 -12.639 0.152 300 2HD PRO 49 1HD PRO 49 -4.487 -12.856 1.338 301 H ASP 50 H ASP 50 -0.636 -13.184 1.569 302 HA ASP 50 HA ASP 50 1.808 -12.811 3.161 303 1HB ASP 50 2HB ASP 50 1.694 -14.764 1.661 304 2HB ASP 50 1HB ASP 50 1.544 -13.703 0.271 305 H LEU 51 H LEU 51 0.199 -10.537 2.618 306 HA LEU 51 HA LEU 51 2.106 -8.930 1.153 307 1HB LEU 51 2HB LEU 51 -0.122 -9.191 0.153 308 2HB LEU 51 1HB LEU 51 -0.890 -8.555 1.569 309 HG LEU 51 HG LEU 51 -0.919 -6.987 -0.266 310 1HD1 LEU 51 1HD1 LEU 51 0.962 -6.013 1.845 311 2HD1 LEU 51 2HD1 LEU 51 -0.798 -5.972 1.897 312 3HD1 LEU 51 3HD1 LEU 51 0.073 -5.008 0.701 313 1HD2 LEU 51 1HD2 LEU 51 2.052 -7.162 -0.206 314 2HD2 LEU 51 2HD2 LEU 51 1.101 -6.023 -1.162 315 3HD2 LEU 51 3HD2 LEU 51 0.972 -7.757 -1.465 316 HA PRO 52 HA PRO 52 2.643 -7.745 5.688 317 1HB PRO 52 2HB PRO 52 4.517 -6.035 4.207 318 2HB PRO 52 1HB PRO 52 4.698 -6.900 5.736 319 1HG PRO 52 2HG PRO 52 5.772 -7.773 3.438 320 2HG PRO 52 1HG PRO 52 5.179 -8.907 4.645 321 1HD PRO 52 2HD PRO 52 4.032 -8.117 2.027 322 2HD PRO 52 1HD PRO 52 3.794 -9.615 2.947 323 H ILE 53 H ILE 53 1.544 -6.264 6.542 324 HA ILE 53 HA ILE 53 0.762 -3.867 5.004 325 HB ILE 53 HB ILE 53 -0.720 -4.996 7.422 326 1HG1 ILE 53 2HG1 ILE 53 -0.763 -6.654 5.559 327 2HG1 ILE 53 1HG1 ILE 53 -2.354 -6.049 5.988 328 1HG2 ILE 53 1HG2 ILE 53 -1.269 -2.684 7.060 329 2HG2 ILE 53 2HG2 ILE 53 -2.655 -3.683 6.572 330 3HG2 ILE 53 3HG2 ILE 53 -1.602 -2.996 5.353 331 1HD1 ILE 53 1HD1 ILE 53 -2.109 -6.264 3.595 332 2HD1 ILE 53 2HD1 ILE 53 -0.710 -5.188 3.620 333 3HD1 ILE 53 3HD1 ILE 53 -2.310 -4.579 4.048 334 H LEU 54 H LEU 54 2.450 -2.469 5.748 335 HA LEU 54 HA LEU 54 2.490 -1.988 8.653 336 1HB LEU 54 2HB LEU 54 4.768 -1.816 6.680 337 2HB LEU 54 1HB LEU 54 4.830 -1.028 8.235 338 HG LEU 54 HG LEU 54 6.091 -3.046 8.341 339 1HD1 LEU 54 1HD1 LEU 54 3.498 -3.411 9.801 340 2HD1 LEU 54 2HD1 LEU 54 4.907 -2.497 10.344 341 3HD1 LEU 54 3HD1 LEU 54 5.008 -4.248 10.161 342 1HD2 LEU 54 1HD2 LEU 54 3.619 -4.519 7.435 343 2HD2 LEU 54 2HD2 LEU 54 5.123 -5.268 7.969 344 3HD2 LEU 54 3HD2 LEU 54 5.097 -4.287 6.502 345 H ILE 55 H ILE 55 1.959 -0.066 9.342 346 HA ILE 55 HA ILE 55 1.369 2.012 7.376 347 HB ILE 55 HB ILE 55 0.622 1.885 10.338 348 1HG1 ILE 55 2HG1 ILE 55 -1.777 1.765 9.416 349 2HG1 ILE 55 1HG1 ILE 55 -1.050 1.472 7.855 350 1HG2 ILE 55 1HG2 ILE 55 -0.169 3.931 8.272 351 2HG2 ILE 55 2HG2 ILE 55 0.913 4.184 9.642 352 3HG2 ILE 55 3HG2 ILE 55 -0.796 3.846 9.921 353 1HD1 ILE 55 1HD1 ILE 55 -1.793 -0.587 8.891 354 2HD1 ILE 55 2HD1 ILE 55 -0.727 -0.292 10.265 355 3HD1 ILE 55 3HD1 ILE 55 -0.046 -0.571 8.661 356 H ARG 56 H ARG 56 2.897 3.320 6.988 357 HA ARG 56 HA ARG 56 4.837 4.056 9.056 358 1HB ARG 56 2HB ARG 56 5.138 3.911 6.067 359 2HB ARG 56 1HB ARG 56 6.351 4.506 7.170 360 1HG ARG 56 2HG ARG 56 5.308 1.683 7.333 361 2HG ARG 56 1HG ARG 56 6.717 2.137 6.381 362 1HD ARG 56 2HD ARG 56 7.506 1.303 8.480 363 2HD ARG 56 1HD ARG 56 7.754 3.041 8.469 364 HE ARG 56 HE ARG 56 5.457 1.812 9.840 365 1HH1 ARG 56 1HH1 ARG 56 8.284 3.973 9.910 366 2HH1 ARG 56 2HH1 ARG 56 8.070 4.387 11.559 367 1HH2 ARG 56 1HH2 ARG 56 5.191 2.493 12.130 368 2HH2 ARG 56 2HH2 ARG 56 6.359 3.580 12.764 369 H GLU 57 H GLU 57 5.876 6.187 8.305 370 HA GLU 57 HA GLU 57 3.643 8.062 8.037 371 1HB GLU 57 2HB GLU 57 5.080 8.234 10.051 372 2HB GLU 57 1HB GLU 57 6.466 8.544 9.021 373 1HG GLU 57 2HG GLU 57 5.513 10.619 8.286 374 2HG GLU 57 1HG GLU 57 4.027 10.289 9.170 375 H CYS 58 H CYS 58 4.037 10.043 6.763 376 HA CYS 58 HA CYS 58 4.992 9.451 4.127 377 1HB CYS 58 2HB CYS 58 4.225 11.751 3.661 378 2HB CYS 58 1HB CYS 58 2.992 10.790 4.480 379 H SER 59 H SER 59 6.526 10.951 2.977 380 HA SER 59 HA SER 59 8.397 12.316 4.706 381 1HB SER 59 2HB SER 59 10.290 11.125 3.458 382 2HB SER 59 1HB SER 59 9.411 10.200 4.675 383 HG SER 59 HG SER 59 9.794 9.152 2.643 384 H ASP 60 H ASP 60 6.495 12.525 1.965 385 HA ASP 60 HA ASP 60 8.007 14.739 1.083 386 1HB ASP 60 2HB ASP 60 7.906 14.135 -1.380 387 2HB ASP 60 1HB ASP 60 9.044 13.184 -0.451 388 H VAL 61 H VAL 61 5.491 13.289 -0.905 389 HA VAL 61 HA VAL 61 3.848 15.550 -0.232 390 HB VAL 61 HB VAL 61 3.072 13.135 -1.918 391 1HG1 VAL 61 1HG1 VAL 61 1.170 14.391 -1.117 392 2HG1 VAL 61 2HG1 VAL 61 1.366 14.631 -2.856 393 3HG1 VAL 61 3HG1 VAL 61 1.868 15.889 -1.727 394 1HG2 VAL 61 1HG2 VAL 61 3.525 14.527 -3.873 395 2HG2 VAL 61 2HG2 VAL 61 4.996 14.231 -2.934 396 3HG2 VAL 61 3HG2 VAL 61 4.166 15.790 -2.825 397 H GLN 62 H GLN 62 2.922 12.128 -0.382 398 HA GLN 62 HA GLN 62 2.419 12.071 2.318 399 1HB GLN 62 2HB GLN 62 0.577 13.643 1.620 400 2HB GLN 62 1HB GLN 62 -0.168 12.319 0.746 401 1HG GLN 62 2HG GLN 62 0.293 12.392 3.733 402 2HG GLN 62 1HG GLN 62 -1.213 12.827 2.940 403 1HE2 GLN 62 1HE2 GLN 62 -2.558 11.178 2.247 404 2HE2 GLN 62 2HE2 GLN 62 -2.263 9.529 2.626 405 HA PRO 63 HA PRO 63 0.415 8.025 1.147 406 1HB PRO 63 2HB PRO 63 -1.004 7.618 -1.059 407 2HB PRO 63 1HB PRO 63 -1.658 8.570 0.261 408 1HG PRO 63 2HG PRO 63 -0.653 9.414 -2.382 409 2HG PRO 63 1HG PRO 63 -1.805 10.234 -1.326 410 1HD PRO 63 2HD PRO 63 0.969 10.806 -1.674 411 2HD PRO 63 1HD PRO 63 -0.154 11.565 -0.531 412 H LYS 64 H LYS 64 2.772 7.625 0.700 413 HA LYS 64 HA LYS 64 3.166 6.641 -2.070 414 1HB LYS 64 2HB LYS 64 5.236 6.775 0.157 415 2HB LYS 64 1HB LYS 64 5.527 6.197 -1.465 416 1HG LYS 64 2HG LYS 64 6.477 8.270 -1.287 417 2HG LYS 64 1HG LYS 64 5.017 8.551 -2.262 418 1HD LYS 64 2HD LYS 64 5.056 10.374 -0.652 419 2HD LYS 64 1HD LYS 64 3.964 9.123 -0.103 420 1HE LYS 64 2HE LYS 64 5.542 10.032 1.670 421 2HE LYS 64 1HE LYS 64 5.493 8.280 1.488 422 1HZ LYS 64 1HZ LYS 64 7.551 8.319 0.282 423 2HZ LYS 64 2HZ LYS 64 7.854 9.286 1.624 424 3HZ LYS 64 3HZ LYS 64 7.523 9.971 0.132 425 H LEU 65 H LEU 65 3.699 4.694 -2.586 426 HA LEU 65 HA LEU 65 2.737 2.612 -0.790 427 1HB LEU 65 2HB LEU 65 2.083 3.142 -3.263 428 2HB LEU 65 1HB LEU 65 3.610 2.501 -3.592 429 HG LEU 65 HG LEU 65 3.190 0.315 -2.825 430 1HD1 LEU 65 1HD1 LEU 65 1.062 -0.383 -1.858 431 2HD1 LEU 65 2HD1 LEU 65 0.483 1.282 -1.909 432 3HD1 LEU 65 3HD1 LEU 65 1.835 0.850 -0.860 433 1HD2 LEU 65 1HD2 LEU 65 0.834 1.312 -4.414 434 2HD2 LEU 65 2HD2 LEU 65 1.371 -0.358 -4.310 435 3HD2 LEU 65 3HD2 LEU 65 2.407 0.854 -5.072 436 H TRP 66 H TRP 66 4.599 2.039 0.447 437 HA TRP 66 HA TRP 66 6.900 1.759 -1.169 438 1HB TRP 66 2HB TRP 66 7.548 2.652 0.963 439 2HB TRP 66 1HB TRP 66 6.553 1.494 1.848 440 HD1 TRP 66 HD TRP 66 7.718 -0.732 2.612 441 HE1 TRP 66 1HE TRP 66 10.039 -1.807 2.204 442 HE3 TRP 66 3HE TRP 66 9.505 2.538 -0.814 443 HZ2 TRP 66 2HZ TRP 66 12.292 -1.302 0.591 444 HZ3 TRP 66 3HZ TRP 66 11.713 2.175 -1.760 445 HH2 TRP 66 HH TRP 66 13.056 0.337 -1.127 446 H ALA 67 H ALA 67 7.605 -0.176 -1.824 447 HA ALA 67 HA ALA 67 6.363 -2.579 -0.820 448 1HB ALA 67 1HB ALA 67 6.785 -1.888 -3.714 449 2HB ALA 67 2HB ALA 67 5.238 -2.035 -2.874 450 3HB ALA 67 3HB ALA 67 6.254 -3.457 -3.110 451 H ARG 68 H ARG 68 7.826 -4.355 -0.792 452 HA ARG 68 HA ARG 68 10.310 -4.155 -2.168 453 1HB ARG 68 2HB ARG 68 10.571 -3.393 0.374 454 2HB ARG 68 1HB ARG 68 10.353 -5.109 0.704 455 1HG ARG 68 2HG ARG 68 12.661 -4.961 0.570 456 2HG ARG 68 1HG ARG 68 12.201 -5.414 -1.086 457 1HD ARG 68 2HD ARG 68 12.228 -2.827 -1.584 458 2HD ARG 68 1HD ARG 68 13.009 -2.706 -0.048 459 HE ARG 68 HE ARG 68 14.378 -4.561 -1.725 460 1HH1 ARG 68 1HH1 ARG 68 14.145 -1.190 -0.743 461 2HH1 ARG 68 2HH1 ARG 68 15.516 -0.664 -1.606 462 1HH2 ARG 68 1HH2 ARG 68 16.297 -3.835 -2.978 463 2HH2 ARG 68 2HH2 ARG 68 16.699 -2.187 -2.948 464 H TYR 69 H TYR 69 9.752 -5.582 -3.303 465 HA TYR 69 HA TYR 69 7.908 -7.737 -2.767 466 1HB TYR 69 2HB TYR 69 9.729 -7.392 -5.159 467 2HB TYR 69 1HB TYR 69 8.273 -8.372 -5.073 468 HD1 TYR 69 1HD TYR 69 6.209 -6.824 -4.136 469 HD2 TYR 69 2HD TYR 69 9.498 -5.497 -6.415 470 HE1 TYR 69 1HE TYR 69 4.866 -4.993 -4.939 471 HE2 TYR 69 2HE TYR 69 8.176 -3.609 -7.263 472 HH TYR 69 HH TYR 69 5.233 -2.680 -5.933 473 H ALA 70 H ALA 70 8.530 -10.064 -3.594 474 HA ALA 70 HA ALA 70 10.920 -10.915 -2.127 475 1HB ALA 70 1HB ALA 70 8.741 -12.032 -1.586 476 2HB ALA 70 2HB ALA 70 9.961 -13.160 -2.177 477 3HB ALA 70 3HB ALA 70 8.671 -12.611 -3.248 478 H PHE 71 H PHE 71 9.786 -10.601 -5.321 479 HA PHE 71 HA PHE 71 12.130 -11.930 -6.250 480 1HB PHE 71 2HB PHE 71 10.273 -9.944 -7.600 481 2HB PHE 71 1HB PHE 71 11.655 -10.674 -8.414 482 HD1 PHE 71 1HD PHE 71 8.219 -11.063 -7.507 483 HD2 PHE 71 2HD PHE 71 11.726 -13.194 -8.606 484 HE1 PHE 71 1HE PHE 71 6.845 -13.007 -8.107 485 HE2 PHE 71 2HE PHE 71 10.360 -15.143 -9.209 486 HZ PHE 71 HZ PHE 71 7.914 -15.050 -8.960 487 H GLY 72 H GLY 72 11.444 -9.233 -4.606 488 1HA GLY 72 2HA GLY 72 12.811 -8.052 -3.372 489 2HA GLY 72 1HA GLY 72 14.179 -8.718 -4.200 490 H GLN 73 H GLN 73 11.709 -7.218 -6.051 491 HA GLN 73 HA GLN 73 13.279 -4.878 -6.672 492 1HB GLN 73 2HB GLN 73 10.515 -5.823 -7.437 493 2HB GLN 73 1HB GLN 73 11.051 -4.205 -7.824 494 1HG GLN 73 2HG GLN 73 11.213 -5.769 -9.703 495 2HG GLN 73 1HG GLN 73 12.757 -5.058 -9.269 496 1HE2 GLN 73 1HE2 GLN 73 10.817 -8.032 -9.220 497 2HE2 GLN 73 2HE2 GLN 73 12.190 -9.032 -9.006 498 H GLU 74 H GLU 74 12.398 -2.630 -6.256 499 HA GLU 74 HA GLU 74 10.799 -2.643 -3.818 500 1HB GLU 74 2HB GLU 74 11.969 -0.699 -3.024 501 2HB GLU 74 1HB GLU 74 13.158 -1.920 -3.422 502 1HG GLU 74 2HG GLU 74 12.405 0.430 -5.104 503 2HG GLU 74 1HG GLU 74 13.834 0.354 -4.071 504 H THR 75 H THR 75 9.719 -0.489 -3.489 505 HA THR 75 HA THR 75 9.024 1.032 -5.773 506 HB THR 75 HB THR 75 7.336 -1.143 -4.706 507 HG1 THR 75 1HG THR 75 8.475 -0.950 -6.823 508 1HG2 THR 75 1HG2 THR 75 5.888 0.622 -4.170 509 2HG2 THR 75 2HG2 THR 75 5.246 -0.101 -5.642 510 3HG2 THR 75 3HG2 THR 75 6.125 1.443 -5.720 511 H ASN 76 H ASN 76 8.420 2.942 -5.068 512 HA ASN 76 HA ASN 76 7.285 3.285 -2.434 513 1HB ASN 76 2HB ASN 76 8.992 5.230 -1.959 514 2HB ASN 76 1HB ASN 76 9.486 3.576 -1.635 515 1HD2 ASN 76 1HD2 ASN 76 11.275 2.686 -2.804 516 2HD2 ASN 76 2HD2 ASN 76 12.120 3.626 -3.963 517 H VAL 77 H VAL 77 5.369 4.043 -3.300 518 HA VAL 77 HA VAL 77 5.734 6.656 -4.607 519 HB VAL 77 HB VAL 77 6.199 5.544 -6.123 520 1HG1 VAL 77 1HG1 VAL 77 5.281 3.267 -5.780 521 2HG1 VAL 77 2HG1 VAL 77 4.709 3.707 -7.392 522 3HG1 VAL 77 3HG1 VAL 77 3.632 3.854 -6.007 523 1HG2 VAL 77 1HG2 VAL 77 4.959 7.318 -7.022 524 2HG2 VAL 77 2HG2 VAL 77 3.428 6.463 -6.831 525 3HG2 VAL 77 3HG2 VAL 77 4.560 5.977 -8.095 526 HA PRO 78 HA PRO 78 1.935 8.387 -3.137 527 1HB PRO 78 2HB PRO 78 2.515 10.027 -5.558 528 2HB PRO 78 1HB PRO 78 2.167 10.556 -3.904 529 1HG PRO 78 2HG PRO 78 4.644 10.678 -4.831 530 2HG PRO 78 1HG PRO 78 4.331 10.135 -3.170 531 1HD PRO 78 2HD PRO 78 4.944 8.459 -5.598 532 2HD PRO 78 1HD PRO 78 5.545 8.195 -3.970 533 H LEU 79 H LEU 79 0.448 7.168 -3.431 534 HA LEU 79 HA LEU 79 -0.321 6.370 -6.093 535 1HB LEU 79 2HB LEU 79 -1.470 4.486 -4.881 536 2HB LEU 79 1HB LEU 79 0.290 4.649 -4.672 537 HG LEU 79 HG LEU 79 0.055 5.374 -2.442 538 1HD1 LEU 79 1HD1 LEU 79 -2.103 6.598 -2.636 539 2HD1 LEU 79 2HD1 LEU 79 -2.155 5.424 -1.320 540 3HD1 LEU 79 3HD1 LEU 79 -2.948 5.067 -2.854 541 1HD2 LEU 79 1HD2 LEU 79 -0.931 3.320 -1.482 542 2HD2 LEU 79 2HD2 LEU 79 0.126 3.002 -2.854 543 3HD2 LEU 79 3HD2 LEU 79 -1.619 2.931 -3.060 544 H ASN 80 H ASN 80 -0.870 8.874 -4.817 545 HA ASN 80 HA ASN 80 -3.439 9.362 -3.966 546 1HB ASN 80 2HB ASN 80 -1.953 11.142 -3.851 547 2HB ASN 80 1HB ASN 80 -1.530 11.089 -5.541 548 1HD2 ASN 80 1HD2 ASN 80 -3.737 12.192 -3.182 549 2HD2 ASN 80 2HD2 ASN 80 -4.663 13.270 -4.147 550 H ASN 81 H ASN 81 -2.632 8.358 -7.006 551 HA ASN 81 HA ASN 81 -4.943 9.465 -8.427 552 1HB ASN 81 2HB ASN 81 -2.843 7.531 -9.424 553 2HB ASN 81 1HB ASN 81 -4.086 8.281 -10.411 554 1HD2 ASN 81 1HD2 ASN 81 -1.215 8.380 -10.701 555 2HD2 ASN 81 2HD2 ASN 81 -0.774 10.045 -10.624 556 H PHE 82 H PHE 82 -4.741 6.901 -6.321 557 HA PHE 82 HA PHE 82 -6.509 5.226 -7.946 558 1HB PHE 82 2HB PHE 82 -4.626 4.388 -5.735 559 2HB PHE 82 1HB PHE 82 -5.699 3.321 -6.628 560 HD1 PHE 82 1HD PHE 82 -5.286 2.992 -9.093 561 HD2 PHE 82 2HD PHE 82 -2.501 4.944 -6.546 562 HE1 PHE 82 1HE PHE 82 -3.511 2.604 -10.743 563 HE2 PHE 82 2HE PHE 82 -0.718 4.562 -8.190 564 HZ PHE 82 HZ PHE 82 -1.221 3.387 -10.296 565 H SER 83 H SER 83 -7.453 3.587 -6.109 566 HA SER 83 HA SER 83 -8.754 5.094 -3.967 567 1HB SER 83 2HB SER 83 -10.233 5.119 -6.022 568 2HB SER 83 1HB SER 83 -10.272 3.360 -5.953 569 HG SER 83 HG SER 83 -12.032 4.641 -4.968 570 H ALA 84 H ALA 84 -10.239 3.281 -2.753 571 HA ALA 84 HA ALA 84 -8.588 1.793 -1.163 572 1HB ALA 84 1HB ALA 84 -10.811 2.382 -0.592 573 2HB ALA 84 2HB ALA 84 -10.554 0.653 -0.360 574 3HB ALA 84 3HB ALA 84 -11.465 1.232 -1.761 575 H ASP 85 H ASP 85 -10.946 0.404 -3.387 576 HA ASP 85 HA ASP 85 -10.205 -2.313 -3.219 577 1HB ASP 85 2HB ASP 85 -12.367 -1.238 -4.014 578 2HB ASP 85 1HB ASP 85 -11.550 -0.969 -5.515 579 H GLN 86 H GLN 86 -9.715 0.097 -5.558 580 HA GLN 86 HA GLN 86 -8.017 -1.233 -7.399 581 1HB GLN 86 2HB GLN 86 -8.983 0.934 -7.949 582 2HB GLN 86 1HB GLN 86 -8.107 1.692 -6.632 583 1HG GLN 86 2HG GLN 86 -7.115 2.182 -8.791 584 2HG GLN 86 1HG GLN 86 -6.011 1.292 -7.751 585 1HE2 GLN 86 1HE2 GLN 86 -4.810 0.576 -9.414 586 2HE2 GLN 86 2HE2 GLN 86 -5.318 -0.646 -10.513 587 H VAL 87 H VAL 87 -6.838 0.716 -4.614 588 HA VAL 87 HA VAL 87 -4.207 -0.046 -5.220 589 HB VAL 87 HB VAL 87 -3.549 0.559 -2.887 590 1HG1 VAL 87 1HG1 VAL 87 -5.270 2.568 -4.304 591 2HG1 VAL 87 2HG1 VAL 87 -3.558 2.246 -4.602 592 3HG1 VAL 87 3HG1 VAL 87 -4.072 2.938 -3.064 593 1HG2 VAL 87 1HG2 VAL 87 -5.536 -0.081 -1.713 594 2HG2 VAL 87 2HG2 VAL 87 -6.457 1.183 -2.540 595 3HG2 VAL 87 3HG2 VAL 87 -5.146 1.614 -1.429 596 H THR 88 H THR 88 -6.602 -1.734 -3.164 597 HA THR 88 HA THR 88 -4.611 -3.563 -2.347 598 HB THR 88 HB THR 88 -6.508 -5.022 -1.564 599 HG1 THR 88 1HG THR 88 -8.222 -4.372 -2.993 600 1HG2 THR 88 1HG2 THR 88 -6.534 -2.118 -0.794 601 2HG2 THR 88 2HG2 THR 88 -5.437 -3.353 -0.175 602 3HG2 THR 88 3HG2 THR 88 -7.165 -3.452 0.169 603 H ARG 89 H ARG 89 -6.776 -3.707 -4.931 604 HA ARG 89 HA ARG 89 -5.919 -6.398 -5.647 605 1HB ARG 89 2HB ARG 89 -8.224 -5.758 -6.234 606 2HB ARG 89 1HB ARG 89 -7.624 -4.466 -7.256 607 1HG ARG 89 2HG ARG 89 -6.675 -6.140 -8.840 608 2HG ARG 89 1HG ARG 89 -7.156 -7.426 -7.767 609 1HD ARG 89 2HD ARG 89 -8.728 -7.193 -9.601 610 2HD ARG 89 1HD ARG 89 -9.504 -6.848 -8.055 611 HE ARG 89 HE ARG 89 -8.738 -4.909 -10.109 612 1HH1 ARG 89 1HH1 ARG 89 -10.641 -5.764 -7.241 613 2HH1 ARG 89 2HH1 ARG 89 -11.537 -4.319 -7.205 614 1HH2 ARG 89 1HH2 ARG 89 -10.058 -2.890 -10.094 615 2HH2 ARG 89 2HH2 ARG 89 -11.210 -2.663 -8.866 616 H ALA 90 H ALA 90 -5.297 -3.126 -6.819 617 HA ALA 90 HA ALA 90 -3.622 -3.819 -8.953 618 1HB ALA 90 1HB ALA 90 -2.546 -1.645 -8.702 619 2HB ALA 90 2HB ALA 90 -3.232 -1.472 -7.087 620 3HB ALA 90 3HB ALA 90 -4.291 -1.481 -8.498 621 H LEU 91 H LEU 91 -2.808 -3.235 -5.537 622 HA LEU 91 HA LEU 91 -0.126 -3.862 -5.608 623 1HB LEU 91 2HB LEU 91 -2.182 -4.137 -3.399 624 2HB LEU 91 1HB LEU 91 -0.696 -4.945 -3.255 625 HG LEU 91 HG LEU 91 0.611 -2.953 -3.273 626 1HD1 LEU 91 1HD1 LEU 91 -0.599 -1.641 -4.906 627 2HD1 LEU 91 2HD1 LEU 91 -0.365 -0.728 -3.413 628 3HD1 LEU 91 3HD1 LEU 91 -1.937 -1.443 -3.774 629 1HD2 LEU 91 1HD2 LEU 91 -0.242 -1.853 -1.268 630 2HD2 LEU 91 2HD2 LEU 91 -0.364 -3.610 -1.157 631 3HD2 LEU 91 3HD2 LEU 91 -1.801 -2.646 -1.499 632 H GLU 92 H GLU 92 -2.798 -6.070 -4.923 633 HA GLU 92 HA GLU 92 -0.955 -8.247 -4.533 634 1HB GLU 92 2HB GLU 92 -3.561 -7.723 -3.882 635 2HB GLU 92 1HB GLU 92 -3.810 -8.820 -5.202 636 1HG GLU 92 2HG GLU 92 -2.242 -9.451 -2.692 637 2HG GLU 92 1HG GLU 92 -3.924 -9.863 -2.951 638 H ASN 93 H ASN 93 -2.858 -7.252 -7.203 639 HA ASN 93 HA ASN 93 -2.492 -9.302 -9.025 640 1HB ASN 93 2HB ASN 93 -3.585 -6.809 -8.963 641 2HB ASN 93 1HB ASN 93 -2.196 -6.514 -9.979 642 1HD2 ASN 93 1HD2 ASN 93 -5.176 -8.137 -9.590 643 2HD2 ASN 93 2HD2 ASN 93 -5.487 -8.503 -11.227 644 H VAL 94 H VAL 94 -0.630 -6.272 -8.749 645 HA VAL 94 HA VAL 94 1.394 -7.059 -10.529 646 HB VAL 94 HB VAL 94 2.745 -5.365 -9.627 647 1HG1 VAL 94 1HG1 VAL 94 1.298 -4.845 -11.545 648 2HG1 VAL 94 2HG1 VAL 94 1.348 -3.406 -10.527 649 3HG1 VAL 94 3HG1 VAL 94 -0.049 -4.480 -10.466 650 1HG2 VAL 94 1HG2 VAL 94 2.079 -5.056 -7.388 651 2HG2 VAL 94 2HG2 VAL 94 0.446 -4.596 -7.858 652 3HG2 VAL 94 3HG2 VAL 94 1.799 -3.519 -8.205 653 H LEU 95 H LEU 95 1.326 -7.203 -7.042 654 HA LEU 95 HA LEU 95 4.107 -7.821 -7.348 655 1HB LEU 95 2HB LEU 95 4.254 -7.621 -4.850 656 2HB LEU 95 1HB LEU 95 3.848 -6.196 -5.787 657 HG LEU 95 HG LEU 95 1.447 -6.722 -5.239 658 1HD1 LEU 95 1HD1 LEU 95 2.632 -8.406 -3.076 659 2HD1 LEU 95 2HD1 LEU 95 1.635 -8.935 -4.434 660 3HD1 LEU 95 3HD1 LEU 95 0.947 -7.883 -3.205 661 1HD2 LEU 95 1HD2 LEU 95 3.301 -5.786 -3.078 662 2HD2 LEU 95 2HD2 LEU 95 1.555 -5.521 -3.117 663 3HD2 LEU 95 3HD2 LEU 95 2.585 -4.813 -4.362 664 H SER 96 H SER 96 1.321 -9.566 -6.382 665 HA SER 96 HA SER 96 3.076 -11.509 -5.437 666 1HB SER 96 2HB SER 96 0.118 -11.706 -6.055 667 2HB SER 96 1HB SER 96 1.052 -12.951 -5.218 668 HG SER 96 HG SER 96 -0.143 -11.298 -3.981 669 H GLY 97 H GLY 97 1.547 -10.525 -8.460 670 1HA GLY 97 2HA GLY 97 2.048 -13.016 -9.767 671 2HA GLY 97 1HA GLY 97 1.349 -11.563 -10.455 672 H LYS 98 H LYS 98 3.338 -9.642 -10.167 673 HA LYS 98 HA LYS 98 5.183 -10.899 -12.075 674 1HB LYS 98 2HB LYS 98 3.580 -9.216 -13.012 675 2HB LYS 98 1HB LYS 98 4.345 -8.018 -12.018 676 1HG LYS 98 2HG LYS 98 6.017 -9.561 -13.973 677 2HG LYS 98 1HG LYS 98 5.035 -8.210 -14.524 678 1HD LYS 98 2HD LYS 98 6.212 -6.714 -12.999 679 2HD LYS 98 1HD LYS 98 7.134 -8.070 -12.348 680 1HE LYS 98 2HE LYS 98 8.182 -8.427 -14.494 681 2HE LYS 98 1HE LYS 98 7.191 -7.164 -15.219 682 1HZ LYS 98 1HZ LYS 98 9.156 -6.685 -13.028 683 2HZ LYS 98 2HZ LYS 98 8.305 -5.516 -13.904 684 3HZ LYS 98 3HZ LYS 98 9.468 -6.464 -14.668 685 H ALA 99 H ALA 99 4.989 -8.222 -10.219 686 HA ALA 99 HA ALA 99 7.287 -6.975 -10.154 687 1HB ALA 99 1HB ALA 99 5.282 -6.399 -8.900 688 2HB ALA 99 2HB ALA 99 6.787 -6.076 -8.028 689 3HB ALA 99 3HB ALA 99 5.805 -7.488 -7.619 Start of MODEL 3 1 H GLY 15 H GLY 15 2.833 -11.182 -1.268 2 1HA GLY 15 1HA GLY 15 3.872 -13.163 -2.295 3 2HA GLY 15 2HA GLY 15 3.538 -12.470 -3.881 4 H LEU 16 H LEU 16 4.905 -11.362 -0.802 5 HA LEU 16 HA LEU 16 7.274 -10.629 -2.073 6 1HB LEU 16 2HB LEU 16 7.097 -8.193 -1.343 7 2HB LEU 16 1HB LEU 16 6.374 -8.679 -2.844 8 HG LEU 16 HG LEU 16 4.176 -8.318 -2.005 9 1HD1 LEU 16 1HD1 LEU 16 4.505 -9.301 0.265 10 2HD1 LEU 16 2HD1 LEU 16 3.726 -7.720 0.317 11 3HD1 LEU 16 3HD1 LEU 16 5.442 -7.876 0.708 12 1HD2 LEU 16 1HD2 LEU 16 5.415 -6.358 -2.612 13 2HD2 LEU 16 2HD2 LEU 16 6.028 -6.205 -0.966 14 3HD2 LEU 16 3HD2 LEU 16 4.305 -6.011 -1.287 15 H ARG 17 H ARG 17 8.533 -9.169 -0.419 16 HA ARG 17 HA ARG 17 8.497 -10.854 1.930 17 1HB ARG 17 2HB ARG 17 10.454 -8.665 1.358 18 2HB ARG 17 1HB ARG 17 10.642 -10.039 2.424 19 1HG ARG 17 2HG ARG 17 10.756 -11.509 0.481 20 2HG ARG 17 1HG ARG 17 10.605 -10.110 -0.587 21 1HD ARG 17 2HD ARG 17 12.847 -10.843 1.272 22 2HD ARG 17 1HD ARG 17 12.919 -10.454 -0.448 23 HE ARG 17 HE ARG 17 11.945 -8.235 1.024 24 1HH1 ARG 17 1HH1 ARG 17 15.024 -9.827 0.183 25 2HH1 ARG 17 2HH1 ARG 17 15.966 -8.529 0.728 26 1HH2 ARG 17 1HH2 ARG 17 13.156 -6.572 1.714 27 2HH2 ARG 17 2HH2 ARG 17 14.887 -6.588 1.674 28 H GLU 18 H GLU 18 7.925 -7.503 0.879 29 HA GLU 18 HA GLU 18 6.534 -7.084 3.353 30 1HB GLU 18 2HB GLU 18 7.788 -4.943 3.850 31 2HB GLU 18 1HB GLU 18 8.434 -6.460 4.530 32 1HG GLU 18 2HG GLU 18 9.443 -5.070 2.024 33 2HG GLU 18 1HG GLU 18 9.984 -4.626 3.631 34 H ILE 19 H ILE 19 5.069 -5.355 3.458 35 HA ILE 19 HA ILE 19 5.401 -3.193 1.529 36 HB ILE 19 HB ILE 19 3.060 -4.898 1.980 37 1HG1 ILE 19 2HG1 ILE 19 4.268 -4.498 -0.201 38 2HG1 ILE 19 1HG1 ILE 19 2.515 -4.446 -0.254 39 1HG2 ILE 19 1HG2 ILE 19 2.532 -1.934 1.897 40 2HG2 ILE 19 2HG2 ILE 19 2.148 -3.045 3.211 41 3HG2 ILE 19 3HG2 ILE 19 1.314 -3.189 1.663 42 1HD1 ILE 19 1HD1 ILE 19 4.360 -2.076 -0.213 43 2HD1 ILE 19 2HD1 ILE 19 2.597 -2.010 -0.268 44 3HD1 ILE 19 3HD1 ILE 19 3.499 -2.707 -1.617 45 H ARG 20 H ARG 20 5.339 -1.311 2.300 46 HA ARG 20 HA ARG 20 4.280 -0.774 4.982 47 1HB ARG 20 2HB ARG 20 6.922 0.152 3.861 48 2HB ARG 20 1HB ARG 20 6.075 1.100 5.061 49 1HG ARG 20 2HG ARG 20 7.671 -0.105 6.243 50 2HG ARG 20 1HG ARG 20 6.164 -0.961 6.530 51 1HD ARG 20 2HD ARG 20 6.799 -2.596 4.829 52 2HD ARG 20 1HD ARG 20 8.315 -1.730 4.575 53 HE ARG 20 HE ARG 20 7.635 -2.734 7.237 54 1HH1 ARG 20 1HH1 ARG 20 9.952 -2.488 4.612 55 2HH1 ARG 20 2HH1 ARG 20 11.035 -3.625 5.261 56 1HH2 ARG 20 1HH2 ARG 20 9.108 -4.258 8.160 57 2HH2 ARG 20 2HH2 ARG 20 10.515 -4.720 7.326 58 H ILE 21 H ILE 21 2.624 0.569 4.685 59 HA ILE 21 HA ILE 21 2.511 2.253 2.305 60 HB ILE 21 HB ILE 21 0.922 3.153 4.475 61 1HG1 ILE 21 2HG1 ILE 21 0.150 0.372 3.551 62 2HG1 ILE 21 1HG1 ILE 21 0.992 0.689 5.071 63 1HG2 ILE 21 1HG2 ILE 21 -0.912 2.946 2.785 64 2HG2 ILE 21 2HG2 ILE 21 0.235 2.131 1.719 65 3HG2 ILE 21 3HG2 ILE 21 0.516 3.803 2.206 66 1HD1 ILE 21 1HD1 ILE 21 -0.845 2.114 5.771 67 2HD1 ILE 21 2HD1 ILE 21 -1.387 0.454 5.464 68 3HD1 ILE 21 3HD1 ILE 21 -1.707 1.740 4.286 69 H HIS 22 H HIS 22 3.237 4.267 2.369 70 HA HIS 22 HA HIS 22 4.109 5.332 4.996 71 1HB HIS 22 2HB HIS 22 4.636 6.406 2.195 72 2HB HIS 22 1HB HIS 22 5.223 7.149 3.660 73 HD1 HIS 22 1HD HIS 22 7.399 6.687 1.744 74 HD2 HIS 22 2HD HIS 22 6.058 3.600 4.236 75 HE1 HIS 22 1HE HIS 22 9.230 5.007 1.810 76 HE2 HIS 22 2HE HIS 22 8.526 3.350 3.563 77 H LEU 23 H LEU 23 2.555 6.633 5.933 78 HA LEU 23 HA LEU 23 0.510 7.584 4.086 79 1HB LEU 23 2HB LEU 23 -0.197 5.849 5.681 80 2HB LEU 23 1HB LEU 23 0.184 6.918 7.011 81 HG LEU 23 HG LEU 23 -1.588 8.459 6.298 82 1HD1 LEU 23 1HD1 LEU 23 -1.541 8.060 3.918 83 2HD1 LEU 23 2HD1 LEU 23 -3.170 7.838 4.556 84 3HD1 LEU 23 3HD1 LEU 23 -2.183 6.433 4.157 85 1HD2 LEU 23 1HD2 LEU 23 -3.503 7.044 6.864 86 2HD2 LEU 23 2HD2 LEU 23 -2.118 6.708 7.900 87 3HD2 LEU 23 3HD2 LEU 23 -2.520 5.606 6.584 88 H CYS 24 H CYS 24 -0.261 8.875 6.949 89 HA CYS 24 HA CYS 24 -0.477 10.892 7.831 90 1HB CYS 24 2HB CYS 24 1.981 11.714 6.282 91 2HB CYS 24 1HB CYS 24 1.138 12.731 7.435 92 H GLN 25 H GLN 25 -2.443 10.950 6.666 93 HA GLN 25 HA GLN 25 -2.546 12.391 4.259 94 1HB GLN 25 2HB GLN 25 -5.029 12.550 4.625 95 2HB GLN 25 1HB GLN 25 -4.420 10.917 4.684 96 1HG GLN 25 2HG GLN 25 -5.019 12.507 7.177 97 2HG GLN 25 1HG GLN 25 -6.253 11.590 6.328 98 1HE2 GLN 25 1HE2 GLN 25 -6.623 10.190 8.035 99 2HE2 GLN 25 2HE2 GLN 25 -5.467 9.017 8.555 100 H ARG 26 H ARG 26 -2.061 14.298 3.993 101 HA ARG 26 HA ARG 26 -2.739 16.473 5.711 102 1HB ARG 26 2HB ARG 26 -0.959 15.414 7.054 103 2HB ARG 26 1HB ARG 26 0.109 15.425 5.681 104 1HG ARG 26 2HG ARG 26 -0.898 17.965 6.961 105 2HG ARG 26 1HG ARG 26 0.526 17.111 7.543 106 1HD ARG 26 2HD ARG 26 1.385 17.291 5.136 107 2HD ARG 26 1HD ARG 26 0.092 18.462 4.896 108 HE ARG 26 HE ARG 26 1.817 18.958 7.158 109 1HH1 ARG 26 1HH1 ARG 26 1.068 19.757 3.774 110 2HH1 ARG 26 2HH1 ARG 26 2.210 21.000 3.662 111 1HH2 ARG 26 1HH2 ARG 26 3.427 20.723 6.998 112 2HH2 ARG 26 2HH2 ARG 26 3.575 21.548 5.522 113 H SER 27 H SER 27 -0.392 15.228 3.309 114 HA SER 27 HA SER 27 -0.353 17.749 1.948 115 1HB SER 27 2HB SER 27 0.953 15.067 1.435 116 2HB SER 27 1HB SER 27 1.421 16.611 0.715 117 HG SER 27 HG SER 27 2.347 17.205 2.495 118 HA PRO 28 HA PRO 28 -2.687 16.693 -2.052 119 1HB PRO 28 2HB PRO 28 -0.690 14.482 -2.603 120 2HB PRO 28 1HB PRO 28 -1.585 15.498 -3.753 121 1HG PRO 28 2HG PRO 28 0.918 16.056 -3.005 122 2HG PRO 28 1HG PRO 28 -0.265 17.330 -3.344 123 1HD PRO 28 2HD PRO 28 0.950 16.565 -0.795 124 2HD PRO 28 1HD PRO 28 0.017 18.020 -1.196 125 H GLY 29 H GLY 29 -4.514 15.985 -1.204 126 1HA GLY 29 2HA GLY 29 -4.939 13.778 0.442 127 2HA GLY 29 1HA GLY 29 -6.189 14.669 -0.400 128 H SER 30 H SER 30 -5.743 11.786 0.216 129 HA SER 30 HA SER 30 -6.308 10.780 -2.436 130 1HB SER 30 2HB SER 30 -4.330 9.437 -0.604 131 2HB SER 30 1HB SER 30 -4.859 8.912 -2.211 132 HG SER 30 HG SER 30 -3.743 11.459 -1.856 133 H GLN 31 H GLN 31 -7.994 9.717 -2.350 134 HA GLN 31 HA GLN 31 -9.208 9.155 0.251 135 1HB GLN 31 2HB GLN 31 -11.357 9.182 -0.966 136 2HB GLN 31 1HB GLN 31 -10.459 10.678 -1.192 137 1HG GLN 31 2HG GLN 31 -9.623 9.673 -3.364 138 2HG GLN 31 1HG GLN 31 -10.860 8.439 -3.143 139 1HE2 GLN 31 1HE2 GLN 31 -10.557 10.421 -5.212 140 2HE2 GLN 31 2HE2 GLN 31 -12.000 11.357 -5.220 141 H GLY 32 H GLY 32 -8.238 7.787 -2.761 142 1HA GLY 32 2HA GLY 32 -9.282 5.231 -2.367 143 2HA GLY 32 1HA GLY 32 -7.882 5.646 -3.359 144 H VAL 33 H VAL 33 -6.440 6.922 -1.275 145 HA VAL 33 HA VAL 33 -5.363 4.471 -0.222 146 HB VAL 33 HB VAL 33 -3.804 6.461 -0.764 147 1HG1 VAL 33 1HG1 VAL 33 -3.256 8.019 1.024 148 2HG1 VAL 33 2HG1 VAL 33 -4.625 7.420 1.960 149 3HG1 VAL 33 3HG1 VAL 33 -4.901 8.246 0.427 150 1HG2 VAL 33 1HG2 VAL 33 -2.195 5.879 0.990 151 2HG2 VAL 33 2HG2 VAL 33 -2.978 4.467 0.278 152 3HG2 VAL 33 3HG2 VAL 33 -3.478 5.046 1.867 153 H ARG 34 H ARG 34 -6.728 7.340 1.345 154 HA ARG 34 HA ARG 34 -7.181 6.634 3.885 155 1HB ARG 34 2HB ARG 34 -8.162 8.639 2.690 156 2HB ARG 34 1HB ARG 34 -9.418 7.584 2.154 157 1HG ARG 34 2HG ARG 34 -10.098 7.018 4.401 158 2HG ARG 34 1HG ARG 34 -8.840 8.057 5.064 159 1HD ARG 34 2HD ARG 34 -9.911 10.003 4.146 160 2HD ARG 34 1HD ARG 34 -11.101 8.997 3.319 161 HE ARG 34 HE ARG 34 -11.497 8.227 5.809 162 1HH1 ARG 34 1HH1 ARG 34 -11.034 11.549 4.622 163 2HH1 ARG 34 2HH1 ARG 34 -12.077 12.246 5.775 164 1HH2 ARG 34 1HH2 ARG 34 -12.980 9.192 7.335 165 2HH2 ARG 34 2HH2 ARG 34 -13.200 10.877 7.353 166 H ASP 35 H ASP 35 -9.453 5.819 1.351 167 HA ASP 35 HA ASP 35 -11.030 4.075 2.914 168 1HB ASP 35 2HB ASP 35 -10.637 4.404 0.009 169 2HB ASP 35 1HB ASP 35 -11.511 2.998 0.504 170 H PHE 36 H PHE 36 -8.267 3.277 0.911 171 HA PHE 36 HA PHE 36 -8.329 0.590 1.589 172 1HB PHE 36 2HB PHE 36 -6.753 0.893 -0.139 173 2HB PHE 36 1HB PHE 36 -6.450 2.504 0.403 174 HD1 PHE 36 1HD PHE 36 -5.137 -0.824 0.040 175 HD2 PHE 36 2HD PHE 36 -4.812 2.737 2.404 176 HE1 PHE 36 1HE PHE 36 -2.863 -1.381 0.565 177 HE2 PHE 36 2HE PHE 36 -2.501 2.117 2.931 178 HZ PHE 36 HZ PHE 36 -1.523 0.072 2.011 179 H ILE 37 H ILE 37 -6.729 3.165 3.093 180 HA ILE 37 HA ILE 37 -5.377 1.977 5.308 181 HB ILE 37 HB ILE 37 -6.883 4.519 5.421 182 1HG1 ILE 37 2HG1 ILE 37 -5.504 5.071 3.538 183 2HG1 ILE 37 1HG1 ILE 37 -4.802 5.806 4.927 184 1HG2 ILE 37 1HG2 ILE 37 -5.130 5.318 7.052 185 2HG2 ILE 37 2HG2 ILE 37 -4.474 3.682 7.014 186 3HG2 ILE 37 3HG2 ILE 37 -6.116 3.960 7.596 187 1HD1 ILE 37 1HD1 ILE 37 -3.799 3.231 3.832 188 2HD1 ILE 37 2HD1 ILE 37 -3.034 4.282 5.060 189 3HD1 ILE 37 3HD1 ILE 37 -3.266 4.845 3.387 190 H GLU 38 H GLU 38 -8.689 2.718 4.834 191 HA GLU 38 HA GLU 38 -9.338 2.799 7.705 192 1HB GLU 38 2HB GLU 38 -9.654 4.849 6.485 193 2HB GLU 38 1HB GLU 38 -10.652 4.029 5.310 194 1HG GLU 38 2HG GLU 38 -12.336 3.689 6.920 195 2HG GLU 38 1HG GLU 38 -11.357 4.454 8.202 196 H LYS 39 H LYS 39 -10.911 2.044 4.640 197 HA LYS 39 HA LYS 39 -12.873 0.364 5.902 198 1HB LYS 39 2HB LYS 39 -13.301 1.874 3.918 199 2HB LYS 39 1HB LYS 39 -12.280 0.787 2.982 200 1HG LYS 39 2HG LYS 39 -13.873 -1.071 3.672 201 2HG LYS 39 1HG LYS 39 -14.945 0.197 4.250 202 1HD LYS 39 2HD LYS 39 -15.652 -0.437 2.055 203 2HD LYS 39 1HD LYS 39 -14.910 1.159 1.937 204 1HE LYS 39 2HE LYS 39 -12.915 0.255 0.997 205 2HE LYS 39 1HE LYS 39 -13.401 -1.393 1.390 206 1HZ LYS 39 1HZ LYS 39 -13.753 -0.977 -0.961 207 2HZ LYS 39 2HZ LYS 39 -14.662 0.375 -0.656 208 3HZ LYS 39 3HZ LYS 39 -15.229 -1.165 -0.188 209 H ARG 40 H ARG 40 -9.721 0.039 4.342 210 HA ARG 40 HA ARG 40 -10.456 -2.695 3.827 211 1HB ARG 40 2HB ARG 40 -10.050 -1.356 1.871 212 2HB ARG 40 1HB ARG 40 -8.440 -0.981 2.452 213 1HG ARG 40 2HG ARG 40 -8.389 -2.679 0.750 214 2HG ARG 40 1HG ARG 40 -7.838 -3.324 2.298 215 1HD ARG 40 2HD ARG 40 -9.780 -4.540 2.616 216 2HD ARG 40 1HD ARG 40 -10.683 -3.573 1.451 217 HE ARG 40 HE ARG 40 -8.574 -5.480 0.728 218 1HH1 ARG 40 1HH1 ARG 40 -11.682 -3.908 0.214 219 2HH1 ARG 40 2HH1 ARG 40 -11.940 -4.536 -1.341 220 1HH2 ARG 40 1HH2 ARG 40 -8.917 -6.444 -1.360 221 2HH2 ARG 40 2HH2 ARG 40 -10.388 -6.112 -2.206 222 H TYR 41 H TYR 41 -8.094 -0.706 5.485 223 HA TYR 41 HA TYR 41 -5.733 -2.035 5.493 224 1HB TYR 41 2HB TYR 41 -6.446 -0.171 7.125 225 2HB TYR 41 1HB TYR 41 -7.083 -1.442 8.079 226 HD1 TYR 41 1HD TYR 41 -3.842 -0.174 6.822 227 HD2 TYR 41 2HD TYR 41 -5.853 -2.741 9.548 228 HE1 TYR 41 1HE TYR 41 -1.733 -0.540 8.038 229 HE2 TYR 41 2HE TYR 41 -3.794 -3.131 10.757 230 HH TYR 41 HH TYR 41 -1.042 -1.191 10.277 231 H VAL 42 H VAL 42 -8.056 -3.237 7.869 232 HA VAL 42 HA VAL 42 -6.395 -5.470 8.351 233 HB VAL 42 HB VAL 42 -7.588 -4.800 10.220 234 1HG1 VAL 42 1HG1 VAL 42 -9.967 -4.314 10.291 235 2HG1 VAL 42 2HG1 VAL 42 -10.097 -4.779 8.588 236 3HG1 VAL 42 3HG1 VAL 42 -9.117 -3.381 9.045 237 1HG2 VAL 42 1HG2 VAL 42 -7.660 -7.193 10.039 238 2HG2 VAL 42 2HG2 VAL 42 -9.179 -7.122 9.131 239 3HG2 VAL 42 3HG2 VAL 42 -9.125 -6.608 10.826 240 H GLU 43 H GLU 43 -9.229 -4.975 6.357 241 HA GLU 43 HA GLU 43 -9.352 -7.711 5.426 242 1HB GLU 43 2HB GLU 43 -11.327 -6.178 5.367 243 2HB GLU 43 1HB GLU 43 -10.482 -5.172 4.199 244 1HG GLU 43 2HG GLU 43 -10.504 -6.962 2.582 245 2HG GLU 43 1HG GLU 43 -11.212 -8.059 3.765 246 H LEU 44 H LEU 44 -7.291 -4.992 4.735 247 HA LEU 44 HA LEU 44 -6.516 -5.832 2.161 248 1HB LEU 44 2HB LEU 44 -6.258 -3.579 2.763 249 2HB LEU 44 1HB LEU 44 -5.627 -3.978 4.336 250 HG LEU 44 HG LEU 44 -3.537 -4.732 3.140 251 1HD1 LEU 44 1HD1 LEU 44 -4.847 -3.356 0.917 252 2HD1 LEU 44 2HD1 LEU 44 -4.384 -5.082 1.052 253 3HD1 LEU 44 3HD1 LEU 44 -3.132 -3.822 1.000 254 1HD2 LEU 44 1HD2 LEU 44 -3.707 -2.681 4.399 255 2HD2 LEU 44 2HD2 LEU 44 -4.364 -1.860 2.982 256 3HD2 LEU 44 3HD2 LEU 44 -2.711 -2.477 2.960 257 H LYS 45 H LYS 45 -5.378 -6.211 5.432 258 HA LYS 45 HA LYS 45 -3.166 -7.740 4.712 259 1HB LYS 45 2HB LYS 45 -3.306 -6.594 6.875 260 2HB LYS 45 1HB LYS 45 -4.644 -7.621 7.353 261 1HG LYS 45 2HG LYS 45 -3.156 -9.564 7.373 262 2HG LYS 45 1HG LYS 45 -1.810 -8.536 6.871 263 1HD LYS 45 2HD LYS 45 -2.032 -7.224 8.916 264 2HD LYS 45 1HD LYS 45 -3.414 -8.198 9.410 265 1HE LYS 45 2HE LYS 45 -1.433 -8.918 10.603 266 2HE LYS 45 1HE LYS 45 -1.955 -10.182 9.498 267 1HZ LYS 45 1HZ LYS 45 -0.187 -9.572 7.976 268 2HZ LYS 45 2HZ LYS 45 0.496 -9.779 9.515 269 3HZ LYS 45 3HZ LYS 45 0.226 -8.248 8.925 270 H LYS 46 H LYS 46 -6.486 -8.548 5.555 271 HA LYS 46 HA LYS 46 -6.015 -11.386 5.579 272 1HB LYS 46 2HB LYS 46 -8.251 -11.650 6.138 273 2HB LYS 46 1HB LYS 46 -7.885 -10.065 6.799 274 1HG LYS 46 2HG LYS 46 -8.811 -9.362 4.317 275 2HG LYS 46 1HG LYS 46 -9.557 -10.849 4.514 276 1HD LYS 46 2HD LYS 46 -9.846 -8.907 6.758 277 2HD LYS 46 1HD LYS 46 -10.976 -8.982 5.414 278 1HE LYS 46 2HE LYS 46 -10.286 -11.264 7.246 279 2HE LYS 46 1HE LYS 46 -11.715 -10.239 7.379 280 1HZ LYS 46 1HZ LYS 46 -12.332 -12.201 6.241 281 2HZ LYS 46 2HZ LYS 46 -11.039 -12.120 5.189 282 3HZ LYS 46 3HZ LYS 46 -12.301 -10.980 5.071 283 H ALA 47 H ALA 47 -6.815 -9.034 3.029 284 HA ALA 47 HA ALA 47 -7.981 -11.106 1.618 285 1HB ALA 47 1HB ALA 47 -7.440 -8.302 0.673 286 2HB ALA 47 2HB ALA 47 -8.945 -8.934 1.341 287 3HB ALA 47 3HB ALA 47 -8.374 -9.491 -0.234 288 H ASN 48 H ASN 48 -4.870 -10.046 2.110 289 HA ASN 48 HA ASN 48 -3.746 -11.076 -0.341 290 1HB ASN 48 2HB ASN 48 -2.826 -8.474 1.006 291 2HB ASN 48 1HB ASN 48 -2.092 -9.229 -0.368 292 1HD2 ASN 48 1HD2 ASN 48 -2.384 -6.996 -1.479 293 2HD2 ASN 48 2HD2 ASN 48 -3.928 -6.709 -2.169 294 HA PRO 49 HA PRO 49 -2.608 -13.177 3.589 295 1HB PRO 49 2HB PRO 49 -1.557 -15.321 2.212 296 2HB PRO 49 1HB PRO 49 -3.260 -15.166 2.675 297 1HG PRO 49 2HG PRO 49 -1.916 -14.424 0.117 298 2HG PRO 49 1HG PRO 49 -3.402 -15.341 0.317 299 1HD PRO 49 2HD PRO 49 -3.527 -12.776 -0.306 300 2HD PRO 49 1HD PRO 49 -4.611 -13.250 1.002 301 H ASP 50 H ASP 50 -0.640 -13.489 0.893 302 HA ASP 50 HA ASP 50 1.792 -13.268 2.543 303 1HB ASP 50 2HB ASP 50 1.696 -14.897 0.592 304 2HB ASP 50 1HB ASP 50 1.790 -13.506 -0.484 305 H LEU 51 H LEU 51 0.259 -10.962 2.610 306 HA LEU 51 HA LEU 51 2.161 -9.241 1.348 307 1HB LEU 51 2HB LEU 51 0.111 -8.867 0.265 308 2HB LEU 51 1HB LEU 51 -0.801 -8.806 1.757 309 HG LEU 51 HG LEU 51 0.237 -6.669 2.317 310 1HD1 LEU 51 1HD1 LEU 51 2.375 -7.057 1.296 311 2HD1 LEU 51 2HD1 LEU 51 1.659 -5.556 0.709 312 3HD1 LEU 51 3HD1 LEU 51 1.638 -7.003 -0.303 313 1HD2 LEU 51 1HD2 LEU 51 -1.803 -6.631 0.984 314 2HD2 LEU 51 2HD2 LEU 51 -0.845 -6.706 -0.494 315 3HD2 LEU 51 3HD2 LEU 51 -0.738 -5.294 0.557 316 HA PRO 52 HA PRO 52 2.991 -8.308 5.908 317 1HB PRO 52 2HB PRO 52 4.957 -6.862 4.266 318 2HB PRO 52 1HB PRO 52 5.145 -7.653 5.828 319 1HG PRO 52 2HG PRO 52 6.025 -8.771 3.565 320 2HG PRO 52 1HG PRO 52 5.303 -9.777 4.818 321 1HD PRO 52 2HD PRO 52 4.202 -8.892 2.204 322 2HD PRO 52 1HD PRO 52 3.822 -10.353 3.138 323 H ILE 53 H ILE 53 2.128 -6.572 6.722 324 HA ILE 53 HA ILE 53 1.838 -4.170 5.056 325 HB ILE 53 HB ILE 53 -0.478 -5.534 6.460 326 1HG1 ILE 53 2HG1 ILE 53 -0.026 -4.773 3.581 327 2HG1 ILE 53 1HG1 ILE 53 0.236 -6.373 4.251 328 1HG2 ILE 53 1HG2 ILE 53 -0.675 -3.102 6.829 329 2HG2 ILE 53 2HG2 ILE 53 -1.899 -3.681 5.699 330 3HG2 ILE 53 3HG2 ILE 53 -0.483 -2.823 5.094 331 1HD1 ILE 53 1HD1 ILE 53 -2.122 -6.526 4.779 332 2HD1 ILE 53 2HD1 ILE 53 -1.843 -6.231 3.062 333 3HD1 ILE 53 3HD1 ILE 53 -2.373 -4.915 4.109 334 H LEU 54 H LEU 54 3.012 -2.811 6.061 335 HA LEU 54 HA LEU 54 2.471 -2.312 8.898 336 1HB LEU 54 2HB LEU 54 4.999 -1.731 7.320 337 2HB LEU 54 1HB LEU 54 4.725 -1.253 8.976 338 HG LEU 54 HG LEU 54 6.181 -3.084 9.053 339 1HD1 LEU 54 1HD1 LEU 54 4.981 -4.819 10.253 340 2HD1 LEU 54 2HD1 LEU 54 3.456 -4.110 9.719 341 3HD1 LEU 54 3HD1 LEU 54 4.541 -3.188 10.759 342 1HD2 LEU 54 1HD2 LEU 54 4.312 -4.631 7.252 343 2HD2 LEU 54 2HD2 LEU 54 5.771 -5.275 8.006 344 3HD2 LEU 54 3HD2 LEU 54 5.891 -3.985 6.807 345 H ILE 55 H ILE 55 2.151 -0.159 9.485 346 HA ILE 55 HA ILE 55 1.480 1.540 7.206 347 HB ILE 55 HB ILE 55 -0.394 0.657 8.706 348 1HG1 ILE 55 2HG1 ILE 55 -0.929 2.591 7.301 349 2HG1 ILE 55 1HG1 ILE 55 -1.733 2.702 8.846 350 1HG2 ILE 55 1HG2 ILE 55 0.694 2.472 10.801 351 2HG2 ILE 55 2HG2 ILE 55 0.543 0.716 10.845 352 3HG2 ILE 55 3HG2 ILE 55 -0.905 1.725 10.830 353 1HD1 ILE 55 1HD1 ILE 55 -0.937 4.817 8.080 354 2HD1 ILE 55 2HD1 ILE 55 0.723 4.204 8.038 355 3HD1 ILE 55 3HD1 ILE 55 -0.136 4.349 9.586 356 H ARG 56 H ARG 56 3.055 2.881 6.870 357 HA ARG 56 HA ARG 56 4.777 3.762 9.035 358 1HB ARG 56 2HB ARG 56 5.240 3.604 6.075 359 2HB ARG 56 1HB ARG 56 6.331 4.410 7.180 360 1HG ARG 56 2HG ARG 56 5.545 1.527 7.486 361 2HG ARG 56 1HG ARG 56 6.996 2.074 6.641 362 1HD ARG 56 2HD ARG 56 6.336 2.745 9.505 363 2HD ARG 56 1HD ARG 56 7.392 1.420 9.015 364 HE ARG 56 HE ARG 56 8.717 3.262 7.855 365 1HH1 ARG 56 1HH1 ARG 56 6.887 3.954 10.830 366 2HH1 ARG 56 2HH1 ARG 56 8.020 5.037 11.423 367 1HH2 ARG 56 1HH2 ARG 56 10.223 4.802 8.649 368 2HH2 ARG 56 2HH2 ARG 56 9.977 5.554 10.157 369 H GLU 57 H GLU 57 5.914 5.805 8.381 370 HA GLU 57 HA GLU 57 3.841 7.801 8.648 371 1HB GLU 57 2HB GLU 57 5.603 7.463 10.369 372 2HB GLU 57 1HB GLU 57 6.806 7.954 9.195 373 1HG GLU 57 2HG GLU 57 5.855 10.171 9.111 374 2HG GLU 57 1HG GLU 57 4.564 9.678 10.207 375 H CYS 58 H CYS 58 4.348 9.968 7.793 376 HA CYS 58 HA CYS 58 4.498 10.131 5.029 377 1HB CYS 58 2HB CYS 58 4.905 12.643 5.879 378 2HB CYS 58 1HB CYS 58 3.329 11.848 5.875 379 H SER 59 H SER 59 6.356 9.652 3.941 380 HA SER 59 HA SER 59 8.773 11.079 4.765 381 1HB SER 59 2HB SER 59 8.587 8.483 3.228 382 2HB SER 59 1HB SER 59 10.036 9.223 3.911 383 HG SER 59 HG SER 59 9.117 8.938 5.985 384 H ASP 60 H ASP 60 6.269 10.883 2.336 385 HA ASP 60 HA ASP 60 7.873 12.153 0.329 386 1HB ASP 60 2HB ASP 60 6.118 9.843 -0.487 387 2HB ASP 60 1HB ASP 60 7.507 10.511 -1.321 388 H VAL 61 H VAL 61 5.650 11.984 -1.575 389 HA VAL 61 HA VAL 61 4.157 14.145 -0.996 390 HB VAL 61 HB VAL 61 3.257 11.733 -2.606 391 1HG1 VAL 61 1HG1 VAL 61 1.225 12.894 -1.842 392 2HG1 VAL 61 2HG1 VAL 61 1.482 13.132 -3.570 393 3HG1 VAL 61 3HG1 VAL 61 1.876 14.422 -2.433 394 1HG2 VAL 61 1HG2 VAL 61 5.130 13.020 -3.500 395 2HG2 VAL 61 2HG2 VAL 61 4.145 14.492 -3.378 396 3HG2 VAL 61 3HG2 VAL 61 3.673 13.210 -4.487 397 H GLN 62 H GLN 62 2.796 10.986 -0.338 398 HA GLN 62 HA GLN 62 1.608 11.587 2.094 399 1HB GLN 62 2HB GLN 62 0.159 13.226 0.967 400 2HB GLN 62 1HB GLN 62 -0.526 11.939 -0.031 401 1HG GLN 62 2HG GLN 62 -1.231 10.763 2.005 402 2HG GLN 62 1HG GLN 62 -0.630 12.104 2.965 403 1HE2 GLN 62 1HE2 GLN 62 -3.121 10.908 0.993 404 2HE2 GLN 62 2HE2 GLN 62 -4.218 12.217 1.291 405 HA PRO 63 HA PRO 63 -0.344 7.480 0.924 406 1HB PRO 63 2HB PRO 63 -1.484 7.076 -1.424 407 2HB PRO 63 1HB PRO 63 -2.171 8.251 -0.303 408 1HG PRO 63 2HG PRO 63 -0.744 8.704 -2.848 409 2HG PRO 63 1HG PRO 63 -1.848 9.775 -1.975 410 1HD PRO 63 2HD PRO 63 1.054 9.729 -1.955 411 2HD PRO 63 1HD PRO 63 -0.047 10.928 -1.242 412 H LYS 64 H LYS 64 2.095 6.806 0.833 413 HA LYS 64 HA LYS 64 2.860 6.035 -1.947 414 1HB LYS 64 2HB LYS 64 4.669 6.348 0.486 415 2HB LYS 64 1HB LYS 64 5.188 5.849 -1.106 416 1HG LYS 64 2HG LYS 64 5.836 8.082 -0.722 417 2HG LYS 64 1HG LYS 64 4.563 8.097 -1.950 418 1HD LYS 64 2HD LYS 64 4.224 9.918 -0.423 419 2HD LYS 64 1HD LYS 64 2.984 8.666 -0.220 420 1HE LYS 64 2HE LYS 64 4.233 7.806 1.764 421 2HE LYS 64 1HE LYS 64 5.456 9.040 1.527 422 1HZ LYS 64 1HZ LYS 64 2.619 9.513 2.324 423 2HZ LYS 64 2HZ LYS 64 3.735 10.754 2.194 424 3HZ LYS 64 3HZ LYS 64 3.891 9.580 3.361 425 H LEU 65 H LEU 65 3.565 4.100 -2.424 426 HA LEU 65 HA LEU 65 2.753 1.991 -0.560 427 1HB LEU 65 2HB LEU 65 2.112 2.480 -3.103 428 2HB LEU 65 1HB LEU 65 3.588 1.689 -3.336 429 HG LEU 65 HG LEU 65 2.973 -0.370 -2.326 430 1HD1 LEU 65 1HD1 LEU 65 0.335 0.918 -1.651 431 2HD1 LEU 65 2HD1 LEU 65 1.605 0.497 -0.504 432 3HD1 LEU 65 3HD1 LEU 65 0.759 -0.773 -1.391 433 1HD2 LEU 65 1HD2 LEU 65 2.317 -0.042 -4.665 434 2HD2 LEU 65 2HD2 LEU 65 0.754 0.586 -4.122 435 3HD2 LEU 65 3HD2 LEU 65 1.181 -1.088 -3.811 436 H TRP 66 H TRP 66 4.717 1.614 0.672 437 HA TRP 66 HA TRP 66 6.966 1.400 -1.007 438 1HB TRP 66 2HB TRP 66 7.710 2.361 1.051 439 2HB TRP 66 1HB TRP 66 6.771 1.233 2.029 440 HD1 TRP 66 HD TRP 66 8.047 -0.923 2.893 441 HE1 TRP 66 1HE TRP 66 10.374 -2.001 2.362 442 HE3 TRP 66 3HE TRP 66 9.563 2.116 -0.852 443 HZ2 TRP 66 2HZ TRP 66 12.480 -1.595 0.608 444 HZ3 TRP 66 3HZ TRP 66 11.703 1.711 -1.907 445 HH2 TRP 66 HH TRP 66 13.101 -0.038 -1.263 446 H ALA 67 H ALA 67 7.321 -0.477 -1.921 447 HA ALA 67 HA ALA 67 6.376 -2.914 -0.668 448 1HB ALA 67 1HB ALA 67 6.149 -3.853 -2.931 449 2HB ALA 67 2HB ALA 67 6.598 -2.285 -3.601 450 3HB ALA 67 3HB ALA 67 5.112 -2.454 -2.665 451 H ARG 68 H ARG 68 7.971 -4.542 -0.463 452 HA ARG 68 HA ARG 68 10.237 -4.317 -2.170 453 1HB ARG 68 2HB ARG 68 10.799 -3.467 0.204 454 2HB ARG 68 1HB ARG 68 10.499 -5.121 0.737 455 1HG ARG 68 2HG ARG 68 12.773 -5.121 0.406 456 2HG ARG 68 1HG ARG 68 12.141 -5.769 -1.120 457 1HD ARG 68 2HD ARG 68 12.216 -3.155 -1.802 458 2HD ARG 68 1HD ARG 68 13.394 -3.148 -0.527 459 HE ARG 68 HE ARG 68 13.682 -5.052 -2.716 460 1HH1 ARG 68 1HH1 ARG 68 15.113 -2.521 -0.671 461 2HH1 ARG 68 2HH1 ARG 68 16.530 -2.406 -1.616 462 1HH2 ARG 68 1HH2 ARG 68 15.620 -4.895 -3.943 463 2HH2 ARG 68 2HH2 ARG 68 16.867 -3.816 -3.503 464 H TYR 69 H TYR 69 9.624 -5.721 -3.247 465 HA TYR 69 HA TYR 69 8.007 -8.036 -2.556 466 1HB TYR 69 2HB TYR 69 9.532 -7.685 -5.145 467 2HB TYR 69 1HB TYR 69 8.101 -8.658 -4.863 468 HD1 TYR 69 1HD TYR 69 9.372 -5.523 -5.943 469 HD2 TYR 69 2HD TYR 69 5.919 -7.385 -4.308 470 HE1 TYR 69 1HE TYR 69 7.983 -3.661 -6.735 471 HE2 TYR 69 2HE TYR 69 4.568 -5.595 -5.057 472 HH TYR 69 HH TYR 69 5.653 -3.281 -7.310 473 H ALA 70 H ALA 70 8.681 -10.312 -3.193 474 HA ALA 70 HA ALA 70 11.480 -10.869 -2.485 475 1HB ALA 70 1HB ALA 70 10.758 -13.205 -2.372 476 2HB ALA 70 2HB ALA 70 9.174 -12.772 -3.020 477 3HB ALA 70 3HB ALA 70 9.653 -12.217 -1.416 478 H PHE 71 H PHE 71 9.823 -10.082 -5.086 479 HA PHE 71 HA PHE 71 11.497 -11.450 -6.963 480 1HB PHE 71 2HB PHE 71 9.987 -8.820 -7.266 481 2HB PHE 71 1HB PHE 71 10.572 -9.846 -8.575 482 HD1 PHE 71 1HD PHE 71 7.752 -8.946 -6.758 483 HD2 PHE 71 2HD PHE 71 9.673 -12.362 -8.404 484 HE1 PHE 71 1HE PHE 71 5.615 -10.158 -6.723 485 HE2 PHE 71 2HE PHE 71 7.539 -13.579 -8.379 486 HZ PHE 71 HZ PHE 71 5.509 -12.477 -7.537 487 H GLY 72 H GLY 72 11.750 -9.184 -4.591 488 1HA GLY 72 2HA GLY 72 13.500 -8.331 -3.630 489 2HA GLY 72 1HA GLY 72 14.502 -8.789 -4.974 490 H GLN 73 H GLN 73 12.059 -7.216 -6.303 491 HA GLN 73 HA GLN 73 13.378 -4.726 -6.658 492 1HB GLN 73 2HB GLN 73 10.635 -5.695 -7.427 493 2HB GLN 73 1HB GLN 73 11.231 -4.091 -7.819 494 1HG GLN 73 2HG GLN 73 13.022 -5.047 -9.124 495 2HG GLN 73 1HG GLN 73 12.498 -6.674 -8.682 496 1HE2 GLN 73 1HE2 GLN 73 11.660 -3.792 -10.440 497 2HE2 GLN 73 2HE2 GLN 73 10.504 -4.539 -11.486 498 H GLU 74 H GLU 74 12.556 -2.642 -6.110 499 HA GLU 74 HA GLU 74 11.034 -2.685 -3.634 500 1HB GLU 74 2HB GLU 74 12.180 -0.727 -2.931 501 2HB GLU 74 1HB GLU 74 13.418 -1.812 -3.528 502 1HG GLU 74 2HG GLU 74 12.243 0.467 -5.082 503 2HG GLU 74 1HG GLU 74 13.718 0.590 -4.135 504 H THR 75 H THR 75 9.763 -0.711 -3.360 505 HA THR 75 HA THR 75 8.976 0.820 -5.629 506 HB THR 75 HB THR 75 7.400 -1.417 -4.490 507 HG1 THR 75 1HG THR 75 8.540 -1.286 -6.583 508 1HG2 THR 75 1HG2 THR 75 5.284 -0.488 -5.502 509 2HG2 THR 75 2HG2 THR 75 6.101 1.092 -5.591 510 3HG2 THR 75 3HG2 THR 75 5.870 0.264 -4.034 511 H ASN 76 H ASN 76 8.492 2.699 -4.812 512 HA ASN 76 HA ASN 76 7.234 2.908 -2.203 513 1HB ASN 76 2HB ASN 76 8.860 4.875 -1.625 514 2HB ASN 76 1HB ASN 76 9.424 3.235 -1.371 515 1HD2 ASN 76 1HD2 ASN 76 11.233 2.446 -2.626 516 2HD2 ASN 76 2HD2 ASN 76 12.096 3.494 -3.673 517 H VAL 77 H VAL 77 5.339 3.583 -3.119 518 HA VAL 77 HA VAL 77 5.642 6.210 -4.370 519 HB VAL 77 HB VAL 77 6.280 5.067 -5.788 520 1HG1 VAL 77 1HG1 VAL 77 3.716 3.395 -5.955 521 2HG1 VAL 77 2HG1 VAL 77 5.337 2.800 -5.595 522 3HG1 VAL 77 3HG1 VAL 77 4.912 3.254 -7.245 523 1HG2 VAL 77 1HG2 VAL 77 3.629 6.052 -6.784 524 2HG2 VAL 77 2HG2 VAL 77 4.853 5.530 -7.943 525 3HG2 VAL 77 3HG2 VAL 77 5.197 6.856 -6.830 526 HA PRO 78 HA PRO 78 1.724 7.666 -3.119 527 1HB PRO 78 2HB PRO 78 2.360 9.369 -5.480 528 2HB PRO 78 1HB PRO 78 1.841 9.845 -3.856 529 1HG PRO 78 2HG PRO 78 4.371 10.125 -4.575 530 2HG PRO 78 1HG PRO 78 3.956 9.540 -2.947 531 1HD PRO 78 2HD PRO 78 4.854 7.937 -5.336 532 2HD PRO 78 1HD PRO 78 5.331 7.676 -3.668 533 H LEU 79 H LEU 79 0.346 6.339 -3.540 534 HA LEU 79 HA LEU 79 -0.420 5.669 -6.223 535 1HB LEU 79 2HB LEU 79 -1.624 3.788 -5.030 536 2HB LEU 79 1HB LEU 79 0.112 4.000 -4.721 537 HG LEU 79 HG LEU 79 -0.187 4.744 -2.541 538 1HD1 LEU 79 1HD1 LEU 79 -3.176 4.489 -2.986 539 2HD1 LEU 79 2HD1 LEU 79 -2.289 6.003 -2.774 540 3HD1 LEU 79 3HD1 LEU 79 -2.381 4.842 -1.450 541 1HD2 LEU 79 1HD2 LEU 79 -1.878 2.325 -3.131 542 2HD2 LEU 79 2HD2 LEU 79 -1.217 2.742 -1.549 543 3HD2 LEU 79 3HD2 LEU 79 -0.133 2.366 -2.889 544 H ASN 80 H ASN 80 -0.770 8.188 -5.163 545 HA ASN 80 HA ASN 80 -3.148 9.141 -4.133 546 1HB ASN 80 2HB ASN 80 -1.197 10.544 -4.469 547 2HB ASN 80 1HB ASN 80 -1.332 10.377 -6.205 548 1HD2 ASN 80 1HD2 ASN 80 -3.985 11.106 -3.970 549 2HD2 ASN 80 2HD2 ASN 80 -4.288 12.681 -4.583 550 H ASN 81 H ASN 81 -2.604 8.043 -7.233 551 HA ASN 81 HA ASN 81 -4.973 9.314 -8.419 552 1HB ASN 81 2HB ASN 81 -2.822 7.600 -9.651 553 2HB ASN 81 1HB ASN 81 -4.205 8.219 -10.541 554 1HD2 ASN 81 1HD2 ASN 81 -1.312 8.712 -10.810 555 2HD2 ASN 81 2HD2 ASN 81 -1.153 10.437 -10.759 556 H PHE 82 H PHE 82 -4.678 6.555 -6.610 557 HA PHE 82 HA PHE 82 -6.491 5.121 -8.352 558 1HB PHE 82 2HB PHE 82 -4.572 4.010 -6.291 559 2HB PHE 82 1HB PHE 82 -5.638 3.076 -7.341 560 HD1 PHE 82 1HD PHE 82 -2.398 4.448 -6.987 561 HD2 PHE 82 2HD PHE 82 -5.328 3.396 -9.884 562 HE1 PHE 82 1HE PHE 82 -0.656 4.377 -8.721 563 HE2 PHE 82 2HE PHE 82 -3.591 3.319 -11.621 564 HZ PHE 82 HZ PHE 82 -1.251 3.809 -11.041 565 H SER 83 H SER 83 -7.558 3.363 -6.689 566 HA SER 83 HA SER 83 -9.048 5.001 -4.713 567 1HB SER 83 2HB SER 83 -10.282 4.733 -6.927 568 2HB SER 83 1HB SER 83 -10.253 2.995 -6.599 569 HG SER 83 HG SER 83 -11.619 4.990 -5.104 570 H ALA 84 H ALA 84 -10.550 3.410 -3.366 571 HA ALA 84 HA ALA 84 -9.017 2.074 -1.504 572 1HB ALA 84 1HB ALA 84 -11.878 1.531 -2.192 573 2HB ALA 84 2HB ALA 84 -11.235 2.792 -1.122 574 3HB ALA 84 3HB ALA 84 -11.058 1.098 -0.689 575 H ASP 85 H ASP 85 -11.251 0.322 -3.691 576 HA ASP 85 HA ASP 85 -10.108 -2.211 -2.941 577 1HB ASP 85 2HB ASP 85 -12.378 -1.438 -4.754 578 2HB ASP 85 1HB ASP 85 -11.726 -3.068 -4.806 579 H GLN 86 H GLN 86 -9.984 -0.059 -5.565 580 HA GLN 86 HA GLN 86 -8.548 -1.889 -7.235 581 1HB GLN 86 2HB GLN 86 -9.988 -0.185 -8.252 582 2HB GLN 86 1HB GLN 86 -9.043 1.089 -7.508 583 1HG GLN 86 2HG GLN 86 -7.794 -0.833 -9.428 584 2HG GLN 86 1HG GLN 86 -8.710 0.566 -9.998 585 1HE2 GLN 86 1HE2 GLN 86 -5.877 -0.075 -10.184 586 2HE2 GLN 86 2HE2 GLN 86 -5.043 1.227 -9.421 587 H VAL 87 H VAL 87 -7.400 0.615 -4.947 588 HA VAL 87 HA VAL 87 -4.729 0.058 -5.687 589 HB VAL 87 HB VAL 87 -3.965 0.826 -3.436 590 1HG1 VAL 87 1HG1 VAL 87 -4.180 2.476 -5.130 591 2HG1 VAL 87 2HG1 VAL 87 -4.619 3.145 -3.558 592 3HG1 VAL 87 3HG1 VAL 87 -5.877 2.722 -4.721 593 1HG2 VAL 87 1HG2 VAL 87 -5.478 1.837 -1.867 594 2HG2 VAL 87 2HG2 VAL 87 -5.732 0.106 -2.058 595 3HG2 VAL 87 3HG2 VAL 87 -6.857 1.252 -2.810 596 H THR 88 H THR 88 -6.882 -1.439 -3.283 597 HA THR 88 HA THR 88 -4.840 -3.150 -2.460 598 HB THR 88 HB THR 88 -6.676 -4.551 -1.471 599 HG1 THR 88 1HG THR 88 -8.201 -3.455 -3.275 600 1HG2 THR 88 1HG2 THR 88 -5.579 -2.721 -0.318 601 2HG2 THR 88 2HG2 THR 88 -7.289 -2.816 0.100 602 3HG2 THR 88 3HG2 THR 88 -6.723 -1.585 -1.029 603 H ARG 89 H ARG 89 -6.862 -3.368 -5.096 604 HA ARG 89 HA ARG 89 -6.281 -6.158 -5.657 605 1HB ARG 89 2HB ARG 89 -8.450 -5.265 -6.334 606 2HB ARG 89 1HB ARG 89 -7.671 -4.029 -7.302 607 1HG ARG 89 2HG ARG 89 -8.566 -5.771 -8.707 608 2HG ARG 89 1HG ARG 89 -6.808 -5.749 -8.805 609 1HD ARG 89 2HD ARG 89 -6.680 -7.652 -7.307 610 2HD ARG 89 1HD ARG 89 -8.436 -7.648 -7.119 611 HE ARG 89 HE ARG 89 -8.089 -7.821 -9.796 612 1HH1 ARG 89 1HH1 ARG 89 -6.800 -9.780 -7.145 613 2HH1 ARG 89 2HH1 ARG 89 -6.805 -11.217 -8.018 614 1HH2 ARG 89 1HH2 ARG 89 -8.098 -9.722 -10.986 615 2HH2 ARG 89 2HH2 ARG 89 -7.596 -11.224 -10.301 616 H ALA 90 H ALA 90 -5.412 -2.988 -7.003 617 HA ALA 90 HA ALA 90 -3.473 -3.984 -8.846 618 1HB ALA 90 1HB ALA 90 -3.476 -1.305 -7.438 619 2HB ALA 90 2HB ALA 90 -4.345 -1.660 -8.931 620 3HB ALA 90 3HB ALA 90 -2.582 -1.722 -8.901 621 H LEU 91 H LEU 91 -3.222 -3.149 -5.393 622 HA LEU 91 HA LEU 91 -0.485 -3.659 -5.127 623 1HB LEU 91 2HB LEU 91 -2.712 -4.099 -3.075 624 2HB LEU 91 1HB LEU 91 -1.155 -4.753 -2.878 625 HG LEU 91 HG LEU 91 -0.051 -2.634 -2.815 626 1HD1 LEU 91 1HD1 LEU 91 -1.238 -0.524 -2.752 627 2HD1 LEU 91 2HD1 LEU 91 -2.741 -1.353 -3.153 628 3HD1 LEU 91 3HD1 LEU 91 -1.412 -1.326 -4.311 629 1HD2 LEU 91 1HD2 LEU 91 -0.871 -3.556 -0.751 630 2HD2 LEU 91 2HD2 LEU 91 -2.429 -2.764 -0.987 631 3HD2 LEU 91 3HD2 LEU 91 -0.981 -1.796 -0.719 632 H GLU 92 H GLU 92 -3.205 -5.852 -4.813 633 HA GLU 92 HA GLU 92 -1.588 -8.110 -4.402 634 1HB GLU 92 2HB GLU 92 -4.125 -7.871 -3.956 635 2HB GLU 92 1HB GLU 92 -4.342 -7.947 -5.668 636 1HG GLU 92 2HG GLU 92 -3.193 -10.222 -4.076 637 2HG GLU 92 1HG GLU 92 -4.902 -10.043 -4.457 638 H ASN 93 H ASN 93 -2.882 -6.814 -7.323 639 HA ASN 93 HA ASN 93 -1.775 -8.580 -9.136 640 1HB ASN 93 2HB ASN 93 -2.548 -5.740 -9.124 641 2HB ASN 93 1HB ASN 93 -1.614 -6.178 -10.510 642 1HD2 ASN 93 1HD2 ASN 93 -3.992 -8.224 -8.787 643 2HD2 ASN 93 2HD2 ASN 93 -5.120 -8.275 -10.075 644 H VAL 94 H VAL 94 -0.299 -5.466 -8.118 645 HA VAL 94 HA VAL 94 2.194 -5.938 -9.290 646 HB VAL 94 HB VAL 94 3.164 -4.418 -7.778 647 1HG1 VAL 94 1HG1 VAL 94 0.676 -3.391 -9.201 648 2HG1 VAL 94 2HG1 VAL 94 2.282 -3.572 -9.905 649 3HG1 VAL 94 3HG1 VAL 94 1.989 -2.330 -8.687 650 1HG2 VAL 94 1HG2 VAL 94 1.891 -4.493 -5.801 651 2HG2 VAL 94 2HG2 VAL 94 0.436 -3.943 -6.631 652 3HG2 VAL 94 3HG2 VAL 94 1.793 -2.837 -6.402 653 H LEU 95 H LEU 95 1.167 -6.683 -6.071 654 HA LEU 95 HA LEU 95 3.895 -7.378 -5.827 655 1HB LEU 95 2HB LEU 95 3.651 -7.214 -3.357 656 2HB LEU 95 1HB LEU 95 3.350 -5.783 -4.334 657 HG LEU 95 HG LEU 95 0.941 -6.312 -4.151 658 1HD1 LEU 95 1HD1 LEU 95 0.123 -7.518 -2.196 659 2HD1 LEU 95 2HD1 LEU 95 1.767 -8.065 -1.861 660 3HD1 LEU 95 3HD1 LEU 95 0.957 -8.559 -3.347 661 1HD2 LEU 95 1HD2 LEU 95 0.709 -5.173 -1.998 662 2HD2 LEU 95 2HD2 LEU 95 1.909 -4.439 -3.063 663 3HD2 LEU 95 3HD2 LEU 95 2.426 -5.445 -1.708 664 H SER 96 H SER 96 1.182 -8.999 -6.204 665 HA SER 96 HA SER 96 2.486 -11.140 -4.834 666 1HB SER 96 2HB SER 96 0.007 -11.131 -4.667 667 2HB SER 96 1HB SER 96 -0.124 -11.257 -6.418 668 HG SER 96 HG SER 96 0.174 -13.296 -6.294 669 H GLY 97 H GLY 97 2.025 -9.801 -8.065 670 1HA GLY 97 2HA GLY 97 4.439 -10.975 -8.797 671 2HA GLY 97 1HA GLY 97 3.141 -11.986 -9.394 672 H LYS 98 H LYS 98 3.428 -8.395 -9.210 673 HA LYS 98 HA LYS 98 2.874 -8.544 -12.150 674 1HB LYS 98 2HB LYS 98 1.649 -6.912 -10.593 675 2HB LYS 98 1HB LYS 98 3.135 -6.023 -10.588 676 1HG LYS 98 2HG LYS 98 3.069 -5.781 -13.034 677 2HG LYS 98 1HG LYS 98 1.499 -6.584 -13.052 678 1HD LYS 98 2HD LYS 98 0.611 -4.816 -11.580 679 2HD LYS 98 1HD LYS 98 2.181 -4.019 -11.633 680 1HE LYS 98 2HE LYS 98 0.685 -2.945 -13.186 681 2HE LYS 98 1HE LYS 98 1.949 -3.791 -14.078 682 1HZ LYS 98 1HZ LYS 98 0.374 -5.591 -14.522 683 2HZ LYS 98 2HZ LYS 98 -0.278 -4.119 -15.035 684 3HZ LYS 98 3HZ LYS 98 -0.788 -4.802 -13.596 685 H ALA 99 H ALA 99 4.871 -7.342 -9.883 686 HA ALA 99 HA ALA 99 6.876 -6.121 -11.474 687 1HB ALA 99 1HB ALA 99 7.163 -7.247 -8.694 688 2HB ALA 99 2HB ALA 99 6.489 -5.678 -9.087 689 3HB ALA 99 3HB ALA 99 8.195 -6.015 -9.445 Start of MODEL 4 1 H GLY 15 H GLY 15 2.210 -10.505 -1.467 2 1HA GLY 15 1HA GLY 15 3.082 -12.799 -1.297 3 2HA GLY 15 2HA GLY 15 2.794 -12.938 -3.032 4 H LEU 16 H LEU 16 4.535 -11.238 -0.528 5 HA LEU 16 HA LEU 16 6.857 -11.035 -2.013 6 1HB LEU 16 2HB LEU 16 7.029 -8.488 -1.823 7 2HB LEU 16 1HB LEU 16 6.168 -9.152 -3.176 8 HG LEU 16 HG LEU 16 4.179 -8.133 -2.561 9 1HD1 LEU 16 1HD1 LEU 16 3.572 -7.457 -0.313 10 2HD1 LEU 16 2HD1 LEU 16 5.113 -8.095 0.308 11 3HD1 LEU 16 3HD1 LEU 16 3.914 -9.179 -0.439 12 1HD2 LEU 16 1HD2 LEU 16 5.842 -6.446 -2.943 13 2HD2 LEU 16 2HD2 LEU 16 6.271 -6.451 -1.232 14 3HD2 LEU 16 3HD2 LEU 16 4.669 -5.912 -1.739 15 H ARG 17 H ARG 17 8.251 -9.228 -0.656 16 HA ARG 17 HA ARG 17 8.256 -10.561 1.898 17 1HB ARG 17 2HB ARG 17 10.268 -8.720 0.645 18 2HB ARG 17 1HB ARG 17 10.447 -9.489 2.213 19 1HG ARG 17 2HG ARG 17 10.367 -11.674 1.144 20 2HG ARG 17 1HG ARG 17 10.198 -10.884 -0.428 21 1HD ARG 17 2HD ARG 17 12.348 -9.769 -0.081 22 2HD ARG 17 1HD ARG 17 12.522 -10.597 1.468 23 HE ARG 17 HE ARG 17 12.192 -12.651 -0.115 24 1HH1 ARG 17 1HH1 ARG 17 14.333 -9.849 -0.441 25 2HH1 ARG 17 2HH1 ARG 17 15.449 -10.629 -1.463 26 1HH2 ARG 17 1HH2 ARG 17 13.657 -13.709 -1.547 27 2HH2 ARG 17 2HH2 ARG 17 15.030 -12.903 -2.169 28 H GLU 18 H GLU 18 7.550 -7.352 0.600 29 HA GLU 18 HA GLU 18 6.794 -6.596 3.369 30 1HB GLU 18 2HB GLU 18 9.289 -6.239 2.960 31 2HB GLU 18 1HB GLU 18 8.810 -4.956 1.886 32 1HG GLU 18 2HG GLU 18 9.432 -4.062 3.983 33 2HG GLU 18 1HG GLU 18 7.714 -3.795 3.745 34 H ILE 19 H ILE 19 4.861 -5.161 3.272 35 HA ILE 19 HA ILE 19 5.054 -3.064 1.273 36 HB ILE 19 HB ILE 19 2.614 -4.589 2.149 37 1HG1 ILE 19 2HG1 ILE 19 3.749 -5.287 0.088 38 2HG1 ILE 19 1HG1 ILE 19 2.103 -4.734 -0.208 39 1HG2 ILE 19 1HG2 ILE 19 1.999 -2.284 2.548 40 2HG2 ILE 19 2HG2 ILE 19 1.142 -2.879 1.124 41 3HG2 ILE 19 3HG2 ILE 19 2.545 -1.827 0.934 42 1HD1 ILE 19 1HD1 ILE 19 2.962 -2.584 -0.967 43 2HD1 ILE 19 2HD1 ILE 19 3.620 -3.921 -1.911 44 3HD1 ILE 19 3HD1 ILE 19 4.611 -3.140 -0.678 45 H ARG 20 H ARG 20 5.333 -1.299 2.147 46 HA ARG 20 HA ARG 20 4.165 -0.784 4.770 47 1HB ARG 20 2HB ARG 20 6.971 0.038 3.972 48 2HB ARG 20 1HB ARG 20 6.155 0.548 5.448 49 1HG ARG 20 2HG ARG 20 5.955 -1.816 6.117 50 2HG ARG 20 1HG ARG 20 6.859 -2.269 4.680 51 1HD ARG 20 2HD ARG 20 8.766 -0.952 5.506 52 2HD ARG 20 1HD ARG 20 7.845 -0.582 6.971 53 HE ARG 20 HE ARG 20 7.866 -3.345 6.531 54 1HH1 ARG 20 1HH1 ARG 20 10.041 -0.777 7.729 55 2HH1 ARG 20 2HH1 ARG 20 11.031 -1.912 8.566 56 1HH2 ARG 20 1HH2 ARG 20 9.297 -4.783 7.664 57 2HH2 ARG 20 2HH2 ARG 20 10.613 -4.124 8.557 58 H ILE 21 H ILE 21 2.694 0.545 4.463 59 HA ILE 21 HA ILE 21 2.625 2.349 2.221 60 HB ILE 21 HB ILE 21 0.896 3.132 4.259 61 1HG1 ILE 21 2HG1 ILE 21 0.466 0.208 3.630 62 2HG1 ILE 21 1HG1 ILE 21 1.273 0.776 5.090 63 1HG2 ILE 21 1HG2 ILE 21 -0.872 2.518 2.565 64 2HG2 ILE 21 2HG2 ILE 21 0.388 1.734 1.609 65 3HG2 ILE 21 3HG2 ILE 21 0.452 3.472 1.897 66 1HD1 ILE 21 1HD1 ILE 21 -0.710 2.024 5.677 67 2HD1 ILE 21 2HD1 ILE 21 -1.056 0.290 5.532 68 3HD1 ILE 21 3HD1 ILE 21 -1.521 1.420 4.245 69 H HIS 22 H HIS 22 3.260 4.348 2.343 70 HA HIS 22 HA HIS 22 3.798 5.480 5.004 71 1HB HIS 22 2HB HIS 22 4.606 6.601 2.283 72 2HB HIS 22 1HB HIS 22 5.111 7.214 3.842 73 HD1 HIS 22 1HD HIS 22 7.000 6.079 1.297 74 HD2 HIS 22 2HD HIS 22 6.245 4.263 5.001 75 HE1 HIS 22 1HE HIS 22 8.877 4.555 1.693 76 HE2 HIS 22 2HE HIS 22 8.336 3.315 3.793 77 H LEU 23 H LEU 23 2.112 6.680 5.705 78 HA LEU 23 HA LEU 23 0.095 7.564 3.783 79 1HB LEU 23 2HB LEU 23 -0.658 5.891 5.315 80 2HB LEU 23 1HB LEU 23 -0.038 6.784 6.682 81 HG LEU 23 HG LEU 23 -1.730 8.554 6.216 82 1HD1 LEU 23 1HD1 LEU 23 -2.098 8.124 3.873 83 2HD1 LEU 23 2HD1 LEU 23 -3.610 8.031 4.773 84 3HD1 LEU 23 3HD1 LEU 23 -2.801 6.554 4.252 85 1HD2 LEU 23 1HD2 LEU 23 -3.626 7.294 7.105 86 2HD2 LEU 23 2HD2 LEU 23 -2.121 6.869 7.919 87 3HD2 LEU 23 3HD2 LEU 23 -2.805 5.785 6.709 88 H CYS 24 H CYS 24 -0.894 9.720 4.298 89 HA CYS 24 HA CYS 24 0.022 11.243 6.554 90 1HB CYS 24 2HB CYS 24 0.417 12.351 3.762 91 2HB CYS 24 1HB CYS 24 0.688 13.197 5.269 92 H GLN 25 H GLN 25 -1.188 13.307 6.545 93 HA GLN 25 HA GLN 25 -3.226 13.656 4.533 94 1HB GLN 25 2HB GLN 25 -4.324 12.515 6.575 95 2HB GLN 25 1HB GLN 25 -3.878 13.937 7.510 96 1HG GLN 25 2HG GLN 25 -5.223 15.344 6.036 97 2HG GLN 25 1HG GLN 25 -5.658 13.936 5.081 98 1HE2 GLN 25 1HE2 GLN 25 -7.248 15.845 6.495 99 2HE2 GLN 25 2HE2 GLN 25 -8.269 14.977 7.593 100 H ARG 26 H ARG 26 -0.933 14.703 4.482 101 HA ARG 26 HA ARG 26 -0.852 17.255 5.968 102 1HB ARG 26 2HB ARG 26 0.936 15.464 6.349 103 2HB ARG 26 1HB ARG 26 1.436 15.725 4.700 104 1HG ARG 26 2HG ARG 26 1.522 17.829 6.867 105 2HG ARG 26 1HG ARG 26 2.869 16.789 6.439 106 1HD ARG 26 2HD ARG 26 2.640 17.779 4.082 107 2HD ARG 26 1HD ARG 26 1.592 18.987 4.826 108 HE ARG 26 HE ARG 26 4.228 18.542 5.973 109 1HH1 ARG 26 1HH1 ARG 26 2.076 20.750 4.208 110 2HH1 ARG 26 2HH1 ARG 26 3.187 22.029 4.136 111 1HH2 ARG 26 1HH2 ARG 26 5.772 20.348 5.909 112 2HH2 ARG 26 2HH2 ARG 26 5.320 21.810 5.156 113 H SER 27 H SER 27 0.142 15.722 2.883 114 HA SER 27 HA SER 27 -0.068 18.315 1.555 115 1HB SER 27 2HB SER 27 1.461 15.776 0.870 116 2HB SER 27 1HB SER 27 1.525 17.286 -0.042 117 HG SER 27 HG SER 27 3.136 16.678 1.833 118 HA PRO 28 HA PRO 28 -2.949 17.055 -1.946 119 1HB PRO 28 2HB PRO 28 -0.675 15.185 -2.748 120 2HB PRO 28 1HB PRO 28 -1.931 15.918 -3.782 121 1HG PRO 28 2HG PRO 28 0.460 17.041 -3.425 122 2HG PRO 28 1HG PRO 28 -1.012 18.022 -3.571 123 1HD PRO 28 2HD PRO 28 0.717 17.656 -1.241 124 2HD PRO 28 1HD PRO 28 -0.614 18.806 -1.467 125 H GLY 29 H GLY 29 -4.535 16.186 -0.779 126 1HA GLY 29 2HA GLY 29 -4.547 13.919 0.822 127 2HA GLY 29 1HA GLY 29 -5.972 14.684 0.144 128 H SER 30 H SER 30 -5.340 11.877 0.622 129 HA SER 30 HA SER 30 -5.775 10.944 -2.083 130 1HB SER 30 2HB SER 30 -3.897 9.672 -0.118 131 2HB SER 30 1HB SER 30 -4.291 9.073 -1.735 132 HG SER 30 HG SER 30 -3.290 11.680 -1.308 133 H GLN 31 H GLN 31 -7.381 9.775 -2.263 134 HA GLN 31 HA GLN 31 -8.943 9.128 0.099 135 1HB GLN 31 2HB GLN 31 -10.922 9.016 -1.371 136 2HB GLN 31 1HB GLN 31 -10.122 10.568 -1.501 137 1HG GLN 31 2HG GLN 31 -9.856 8.325 -3.509 138 2HG GLN 31 1HG GLN 31 -11.003 9.648 -3.646 139 1HE2 GLN 31 1HE2 GLN 31 -8.863 8.861 -5.433 140 2HE2 GLN 31 2HE2 GLN 31 -7.841 10.241 -5.600 141 H GLY 32 H GLY 32 -7.424 7.800 -2.683 142 1HA GLY 32 2HA GLY 32 -8.334 5.192 -2.484 143 2HA GLY 32 1HA GLY 32 -6.736 5.669 -3.064 144 H VAL 33 H VAL 33 -5.901 7.007 -0.736 145 HA VAL 33 HA VAL 33 -5.188 4.577 0.655 146 HB VAL 33 HB VAL 33 -3.951 5.947 2.425 147 1HG1 VAL 33 1HG1 VAL 33 -2.967 6.014 -0.383 148 2HG1 VAL 33 2HG1 VAL 33 -2.816 4.690 0.773 149 3HG1 VAL 33 3HG1 VAL 33 -1.981 6.221 1.065 150 1HG2 VAL 33 1HG2 VAL 33 -3.150 8.146 1.757 151 2HG2 VAL 33 2HG2 VAL 33 -4.903 8.124 1.988 152 3HG2 VAL 33 3HG2 VAL 33 -4.225 8.107 0.361 153 H ARG 34 H ARG 34 -6.714 7.504 1.808 154 HA ARG 34 HA ARG 34 -7.554 6.822 4.283 155 1HB ARG 34 2HB ARG 34 -8.179 8.783 2.639 156 2HB ARG 34 1HB ARG 34 -9.619 7.836 2.435 157 1HG ARG 34 2HG ARG 34 -10.120 7.861 4.767 158 2HG ARG 34 1HG ARG 34 -8.647 8.782 5.113 159 1HD ARG 34 2HD ARG 34 -9.545 10.520 3.513 160 2HD ARG 34 1HD ARG 34 -11.074 9.644 3.572 161 HE ARG 34 HE ARG 34 -9.859 10.494 6.065 162 1HH1 ARG 34 1HH1 ARG 34 -12.616 10.618 3.884 163 2HH1 ARG 34 2HH1 ARG 34 -13.379 11.932 4.663 164 1HH2 ARG 34 1HH2 ARG 34 -10.947 12.305 7.195 165 2HH2 ARG 34 2HH2 ARG 34 -12.440 12.874 6.575 166 H ASP 35 H ASP 35 -9.401 5.989 1.353 167 HA ASP 35 HA ASP 35 -11.332 4.407 2.667 168 1HB ASP 35 2HB ASP 35 -10.406 4.611 -0.169 169 2HB ASP 35 1HB ASP 35 -11.513 3.368 0.259 170 H PHE 36 H PHE 36 -8.343 3.495 1.068 171 HA PHE 36 HA PHE 36 -8.580 0.821 1.705 172 1HB PHE 36 2HB PHE 36 -6.759 1.201 0.208 173 2HB PHE 36 1HB PHE 36 -6.423 2.714 0.970 174 HD1 PHE 36 1HD PHE 36 -5.327 -0.651 0.450 175 HD2 PHE 36 2HD PHE 36 -5.168 2.572 3.258 176 HE1 PHE 36 1HE PHE 36 -3.253 -1.502 1.312 177 HE2 PHE 36 2HE PHE 36 -3.077 1.660 4.121 178 HZ PHE 36 HZ PHE 36 -2.111 -0.366 3.150 179 H ILE 37 H ILE 37 -7.120 3.346 3.437 180 HA ILE 37 HA ILE 37 -6.083 2.029 5.723 181 HB ILE 37 HB ILE 37 -7.371 4.709 5.921 182 1HG1 ILE 37 2HG1 ILE 37 -5.862 5.185 4.073 183 2HG1 ILE 37 1HG1 ILE 37 -5.208 5.854 5.526 184 1HG2 ILE 37 1HG2 ILE 37 -6.728 3.905 8.054 185 2HG2 ILE 37 2HG2 ILE 37 -5.657 5.242 7.639 186 3HG2 ILE 37 3HG2 ILE 37 -5.085 3.579 7.499 187 1HD1 ILE 37 1HD1 ILE 37 -3.567 4.885 4.113 188 2HD1 ILE 37 2HD1 ILE 37 -4.278 3.282 4.335 189 3HD1 ILE 37 3HD1 ILE 37 -3.561 4.147 5.720 190 H GLU 38 H GLU 38 -9.377 2.840 4.965 191 HA GLU 38 HA GLU 38 -10.162 2.533 7.798 192 1HB GLU 38 2HB GLU 38 -11.677 3.850 5.544 193 2HB GLU 38 1HB GLU 38 -12.306 3.610 7.160 194 1HG GLU 38 2HG GLU 38 -9.947 5.309 6.402 195 2HG GLU 38 1HG GLU 38 -11.553 5.882 6.849 196 H LYS 39 H LYS 39 -11.445 1.897 4.590 197 HA LYS 39 HA LYS 39 -13.325 -0.009 5.654 198 1HB LYS 39 2HB LYS 39 -12.643 0.775 2.867 199 2HB LYS 39 1HB LYS 39 -14.011 -0.235 3.317 200 1HG LYS 39 2HG LYS 39 -14.886 1.723 4.640 201 2HG LYS 39 1HG LYS 39 -13.598 2.692 3.917 202 1HD LYS 39 2HD LYS 39 -15.792 1.225 2.445 203 2HD LYS 39 1HD LYS 39 -15.650 2.971 2.654 204 1HE LYS 39 2HE LYS 39 -13.624 3.009 1.342 205 2HE LYS 39 1HE LYS 39 -13.632 1.249 1.226 206 1HZ LYS 39 1HZ LYS 39 -14.493 2.171 -0.792 207 2HZ LYS 39 2HZ LYS 39 -15.633 3.101 0.040 208 3HZ LYS 39 3HZ LYS 39 -15.739 1.416 0.056 209 H ARG 40 H ARG 40 -10.317 0.011 3.855 210 HA ARG 40 HA ARG 40 -10.837 -2.760 3.179 211 1HB ARG 40 2HB ARG 40 -10.545 -1.170 1.351 212 2HB ARG 40 1HB ARG 40 -8.956 -0.758 1.958 213 1HG ARG 40 2HG ARG 40 -8.696 -2.208 0.097 214 2HG ARG 40 1HG ARG 40 -8.269 -3.070 1.577 215 1HD ARG 40 2HD ARG 40 -10.338 -4.295 1.538 216 2HD ARG 40 1HD ARG 40 -10.957 -3.305 0.214 217 HE ARG 40 HE ARG 40 -8.570 -4.439 -0.630 218 1HH1 ARG 40 1HH1 ARG 40 -11.819 -5.636 0.169 219 2HH1 ARG 40 2HH1 ARG 40 -11.763 -6.919 -0.941 220 1HH2 ARG 40 1HH2 ARG 40 -8.465 -6.244 -2.072 221 2HH2 ARG 40 2HH2 ARG 40 -9.816 -7.260 -2.274 222 H TYR 41 H TYR 41 -8.765 -0.737 5.083 223 HA TYR 41 HA TYR 41 -6.345 -1.997 5.179 224 1HB TYR 41 2HB TYR 41 -7.136 -0.061 6.681 225 2HB TYR 41 1HB TYR 41 -7.834 -1.281 7.666 226 HD1 TYR 41 1HD TYR 41 -4.504 -0.116 6.496 227 HD2 TYR 41 2HD TYR 41 -6.690 -2.461 9.293 228 HE1 TYR 41 1HE TYR 41 -2.461 -0.426 7.832 229 HE2 TYR 41 2HE TYR 41 -4.701 -2.791 10.624 230 HH TYR 41 HH TYR 41 -1.836 -0.955 10.110 231 H VAL 42 H VAL 42 -8.536 -3.049 7.675 232 HA VAL 42 HA VAL 42 -7.052 -5.320 8.283 233 HB VAL 42 HB VAL 42 -8.500 -4.459 9.910 234 1HG1 VAL 42 1HG1 VAL 42 -9.912 -3.254 8.443 235 2HG1 VAL 42 2HG1 VAL 42 -10.899 -4.135 9.623 236 3HG1 VAL 42 3HG1 VAL 42 -10.769 -4.717 7.946 237 1HG2 VAL 42 1HG2 VAL 42 -10.017 -6.318 10.497 238 2HG2 VAL 42 2HG2 VAL 42 -8.430 -6.887 9.985 239 3HG2 VAL 42 3HG2 VAL 42 -9.802 -6.987 8.877 240 H GLU 43 H GLU 43 -9.460 -4.743 5.932 241 HA GLU 43 HA GLU 43 -9.953 -7.501 5.154 242 1HB GLU 43 2HB GLU 43 -11.596 -5.621 4.874 243 2HB GLU 43 1HB GLU 43 -10.492 -4.883 3.727 244 1HG GLU 43 2HG GLU 43 -10.785 -6.681 2.194 245 2HG GLU 43 1HG GLU 43 -11.694 -7.615 3.384 246 H LEU 44 H LEU 44 -7.414 -5.055 4.229 247 HA LEU 44 HA LEU 44 -6.824 -7.014 2.182 248 1HB LEU 44 2HB LEU 44 -5.190 -5.536 1.270 249 2HB LEU 44 1HB LEU 44 -6.545 -4.545 1.769 250 HG LEU 44 HG LEU 44 -4.471 -4.633 3.803 251 1HD1 LEU 44 1HD1 LEU 44 -2.927 -3.260 2.544 252 2HD1 LEU 44 2HD1 LEU 44 -3.871 -3.528 1.075 253 3HD1 LEU 44 3HD1 LEU 44 -3.050 -4.880 1.863 254 1HD2 LEU 44 1HD2 LEU 44 -5.818 -2.483 2.213 255 2HD2 LEU 44 2HD2 LEU 44 -4.844 -2.259 3.668 256 3HD2 LEU 44 3HD2 LEU 44 -6.381 -3.121 3.757 257 H LYS 45 H LYS 45 -6.020 -6.251 5.343 258 HA LYS 45 HA LYS 45 -3.592 -7.710 5.391 259 1HB LYS 45 2HB LYS 45 -4.303 -5.984 7.107 260 2HB LYS 45 1HB LYS 45 -5.423 -7.174 7.753 261 1HG LYS 45 2HG LYS 45 -3.591 -8.631 8.345 262 2HG LYS 45 1HG LYS 45 -2.437 -7.535 7.583 263 1HD LYS 45 2HD LYS 45 -3.094 -5.783 9.198 264 2HD LYS 45 1HD LYS 45 -4.159 -6.949 9.990 265 1HE LYS 45 2HE LYS 45 -2.225 -8.385 10.454 266 2HE LYS 45 1HE LYS 45 -1.171 -7.218 9.665 267 1HZ LYS 45 1HZ LYS 45 -1.118 -6.987 12.066 268 2HZ LYS 45 2HZ LYS 45 -2.788 -6.701 12.105 269 3HZ LYS 45 3HZ LYS 45 -1.770 -5.590 11.378 270 H LYS 46 H LYS 46 -6.945 -8.506 5.609 271 HA LYS 46 HA LYS 46 -6.355 -11.288 6.209 272 1HB LYS 46 2HB LYS 46 -8.678 -11.627 6.412 273 2HB LYS 46 1HB LYS 46 -8.394 -10.039 7.091 274 1HG LYS 46 2HG LYS 46 -9.082 -9.344 4.526 275 2HG LYS 46 1HG LYS 46 -9.821 -10.792 4.577 276 1HD LYS 46 2HD LYS 46 -11.008 -10.477 6.690 277 2HD LYS 46 1HD LYS 46 -10.429 -8.816 6.733 278 1HE LYS 46 2HE LYS 46 -12.707 -8.913 5.903 279 2HE LYS 46 1HE LYS 46 -11.616 -8.359 4.640 280 1HZ LYS 46 1HZ LYS 46 -12.538 -11.180 4.862 281 2HZ LYS 46 2HZ LYS 46 -11.805 -10.429 3.517 282 3HZ LYS 46 3HZ LYS 46 -13.356 -10.005 3.990 283 H ALA 47 H ALA 47 -7.190 -9.238 3.459 284 HA ALA 47 HA ALA 47 -8.018 -11.341 2.039 285 1HB ALA 47 1HB ALA 47 -7.344 -8.622 0.956 286 2HB ALA 47 2HB ALA 47 -8.918 -9.216 1.486 287 3HB ALA 47 3HB ALA 47 -8.173 -9.867 0.023 288 H ASN 48 H ASN 48 -4.932 -9.926 2.543 289 HA ASN 48 HA ASN 48 -3.616 -11.213 0.322 290 1HB ASN 48 2HB ASN 48 -2.768 -8.537 1.545 291 2HB ASN 48 1HB ASN 48 -2.062 -9.345 0.193 292 1HD2 ASN 48 1HD2 ASN 48 -2.250 -7.272 -1.086 293 2HD2 ASN 48 2HD2 ASN 48 -3.783 -6.894 -1.737 294 HA PRO 49 HA PRO 49 -2.531 -12.910 4.445 295 1HB PRO 49 2HB PRO 49 -1.376 -15.130 3.305 296 2HB PRO 49 1HB PRO 49 -3.094 -14.994 3.702 297 1HG PRO 49 2HG PRO 49 -1.696 -14.511 1.118 298 2HG PRO 49 1HG PRO 49 -3.194 -15.394 1.388 299 1HD PRO 49 2HD PRO 49 -3.209 -12.880 0.475 300 2HD PRO 49 1HD PRO 49 -4.433 -13.236 1.692 301 H ASP 50 H ASP 50 -0.426 -13.588 1.917 302 HA ASP 50 HA ASP 50 1.788 -12.706 3.597 303 1HB ASP 50 2HB ASP 50 1.860 -14.449 1.178 304 2HB ASP 50 1HB ASP 50 3.309 -13.540 1.601 305 H LEU 51 H LEU 51 0.489 -10.771 3.194 306 HA LEU 51 HA LEU 51 2.118 -9.099 1.457 307 1HB LEU 51 2HB LEU 51 -0.249 -9.470 0.787 308 2HB LEU 51 1HB LEU 51 -0.809 -8.734 2.249 309 HG LEU 51 HG LEU 51 -1.026 -7.256 0.342 310 1HD1 LEU 51 1HD1 LEU 51 -0.533 -6.124 2.417 311 2HD1 LEU 51 2HD1 LEU 51 0.173 -5.280 1.040 312 3HD1 LEU 51 3HD1 LEU 51 1.194 -6.263 2.091 313 1HD2 LEU 51 1HD2 LEU 51 1.909 -7.569 0.045 314 2HD2 LEU 51 2HD2 LEU 51 0.880 -6.471 -0.875 315 3HD2 LEU 51 3HD2 LEU 51 0.660 -8.217 -1.012 316 HA PRO 52 HA PRO 52 2.957 -7.877 5.892 317 1HB PRO 52 2HB PRO 52 4.867 -6.290 4.325 318 2HB PRO 52 1HB PRO 52 5.077 -7.188 5.830 319 1HG PRO 52 2HG PRO 52 6.028 -8.109 3.508 320 2HG PRO 52 1HG PRO 52 5.339 -9.226 4.682 321 1HD PRO 52 2HD PRO 52 4.180 -8.141 2.158 322 2HD PRO 52 1HD PRO 52 3.965 -9.744 2.894 323 H ILE 53 H ILE 53 2.034 -6.196 6.711 324 HA ILE 53 HA ILE 53 1.462 -3.843 5.015 325 HB ILE 53 HB ILE 53 -0.610 -5.166 6.820 326 1HG1 ILE 53 2HG1 ILE 53 -0.460 -4.957 3.818 327 2HG1 ILE 53 1HG1 ILE 53 -0.163 -6.404 4.763 328 1HG2 ILE 53 1HG2 ILE 53 -0.867 -2.744 5.012 329 2HG2 ILE 53 2HG2 ILE 53 -0.933 -2.734 6.779 330 3HG2 ILE 53 3HG2 ILE 53 -2.198 -3.539 5.845 331 1HD1 ILE 53 1HD1 ILE 53 -2.346 -6.418 3.724 332 2HD1 ILE 53 2HD1 ILE 53 -2.763 -4.929 4.561 333 3HD1 ILE 53 3HD1 ILE 53 -2.476 -6.408 5.482 334 H LEU 54 H LEU 54 2.913 -2.611 6.002 335 HA LEU 54 HA LEU 54 2.394 -2.023 8.829 336 1HB LEU 54 2HB LEU 54 4.947 -1.686 7.244 337 2HB LEU 54 1HB LEU 54 4.700 -0.973 8.818 338 HG LEU 54 HG LEU 54 6.036 -2.883 9.121 339 1HD1 LEU 54 1HD1 LEU 54 4.411 -2.575 10.834 340 2HD1 LEU 54 2HD1 LEU 54 4.714 -4.295 10.587 341 3HD1 LEU 54 3HD1 LEU 54 3.243 -3.560 9.952 342 1HD2 LEU 54 1HD2 LEU 54 3.982 -4.489 7.604 343 2HD2 LEU 54 2HD2 LEU 54 5.387 -5.153 8.439 344 3HD2 LEU 54 3HD2 LEU 54 5.608 -4.082 7.056 345 H ILE 55 H ILE 55 1.883 -0.011 9.388 346 HA ILE 55 HA ILE 55 1.402 1.784 7.142 347 HB ILE 55 HB ILE 55 -0.678 1.193 8.227 348 1HG1 ILE 55 2HG1 ILE 55 -1.635 3.340 8.850 349 2HG1 ILE 55 1HG1 ILE 55 -0.027 4.005 9.194 350 1HG2 ILE 55 1HG2 ILE 55 0.519 2.072 10.820 351 2HG2 ILE 55 2HG2 ILE 55 0.121 0.422 10.341 352 3HG2 ILE 55 3HG2 ILE 55 -1.170 1.607 10.588 353 1HD1 ILE 55 1HD1 ILE 55 0.475 3.782 6.808 354 2HD1 ILE 55 2HD1 ILE 55 -0.933 4.802 7.115 355 3HD1 ILE 55 3HD1 ILE 55 -1.148 3.145 6.545 356 H ARG 56 H ARG 56 2.827 3.218 6.891 357 HA ARG 56 HA ARG 56 4.279 4.345 9.179 358 1HB ARG 56 2HB ARG 56 5.077 4.185 6.282 359 2HB ARG 56 1HB ARG 56 5.989 5.002 7.531 360 1HG ARG 56 2HG ARG 56 6.121 2.783 8.758 361 2HG ARG 56 1HG ARG 56 5.544 2.045 7.264 362 1HD ARG 56 2HD ARG 56 8.000 2.006 7.422 363 2HD ARG 56 1HD ARG 56 7.440 2.961 6.046 364 HE ARG 56 HE ARG 56 7.786 4.593 8.338 365 1HH1 ARG 56 1HH1 ARG 56 9.717 3.015 5.784 366 2HH1 ARG 56 2HH1 ARG 56 11.000 4.129 5.893 367 1HH2 ARG 56 1HH2 ARG 56 9.606 6.047 8.535 368 2HH2 ARG 56 2HH2 ARG 56 10.939 5.887 7.508 369 H GLU 57 H GLU 57 5.146 6.585 8.513 370 HA GLU 57 HA GLU 57 2.923 8.017 7.282 371 1HB GLU 57 2HB GLU 57 2.599 8.133 9.702 372 2HB GLU 57 1HB GLU 57 4.202 8.823 9.894 373 1HG GLU 57 2HG GLU 57 3.540 10.808 8.684 374 2HG GLU 57 1HG GLU 57 1.964 10.106 8.342 375 H CYS 58 H CYS 58 3.328 9.590 6.064 376 HA CYS 58 HA CYS 58 4.311 10.869 4.605 377 1HB CYS 58 2HB CYS 58 5.362 11.865 7.200 378 2HB CYS 58 1HB CYS 58 5.695 12.725 5.685 379 H SER 59 H SER 59 7.005 12.198 4.912 380 HA SER 59 HA SER 59 9.115 11.943 4.418 381 1HB SER 59 2HB SER 59 8.617 9.000 3.936 382 2HB SER 59 1HB SER 59 10.195 9.785 3.858 383 HG SER 59 HG SER 59 8.778 10.279 6.196 384 H ASP 60 H ASP 60 6.544 11.724 2.230 385 HA ASP 60 HA ASP 60 8.298 12.574 0.077 386 1HB ASP 60 2HB ASP 60 6.234 10.356 -0.211 387 2HB ASP 60 1HB ASP 60 7.054 11.136 -1.546 388 H VAL 61 H VAL 61 5.672 12.299 -1.651 389 HA VAL 61 HA VAL 61 4.460 14.718 -0.814 390 HB VAL 61 HB VAL 61 3.415 12.610 -2.753 391 1HG1 VAL 61 1HG1 VAL 61 1.692 14.229 -3.426 392 2HG1 VAL 61 2HG1 VAL 61 2.214 15.321 -2.143 393 3HG1 VAL 61 3HG1 VAL 61 1.494 13.764 -1.736 394 1HG2 VAL 61 1HG2 VAL 61 5.316 13.899 -3.583 395 2HG2 VAL 61 2HG2 VAL 61 4.445 15.390 -3.148 396 3HG2 VAL 61 3HG2 VAL 61 3.803 14.345 -4.403 397 H GLN 62 H GLN 62 3.228 11.388 -0.580 398 HA GLN 62 HA GLN 62 1.763 11.950 1.755 399 1HB GLN 62 2HB GLN 62 0.439 13.423 0.344 400 2HB GLN 62 1HB GLN 62 0.094 12.106 -0.761 401 1HG GLN 62 2HG GLN 62 -1.818 11.938 0.350 402 2HG GLN 62 1HG GLN 62 -0.865 11.131 1.593 403 1HE2 GLN 62 1HE2 GLN 62 -3.264 12.695 1.776 404 2HE2 GLN 62 2HE2 GLN 62 -2.968 14.015 2.822 405 HA PRO 63 HA PRO 63 0.109 7.638 0.783 406 1HB PRO 63 2HB PRO 63 -1.116 7.112 -1.490 407 2HB PRO 63 1HB PRO 63 -1.792 8.321 -0.411 408 1HG PRO 63 2HG PRO 63 -0.504 8.664 -3.032 409 2HG PRO 63 1HG PRO 63 -1.515 9.805 -2.137 410 1HD PRO 63 2HD PRO 63 1.409 9.647 -2.277 411 2HD PRO 63 1HD PRO 63 0.390 10.956 -1.640 412 H LYS 64 H LYS 64 2.488 6.886 0.598 413 HA LYS 64 HA LYS 64 3.079 5.932 -2.164 414 1HB LYS 64 2HB LYS 64 5.077 6.300 0.097 415 2HB LYS 64 1HB LYS 64 5.445 5.807 -1.536 416 1HG LYS 64 2HG LYS 64 6.154 8.015 -1.199 417 2HG LYS 64 1HG LYS 64 4.768 8.106 -2.308 418 1HD LYS 64 2HD LYS 64 4.591 9.899 -0.657 419 2HD LYS 64 1HD LYS 64 3.385 8.650 -0.348 420 1HE LYS 64 2HE LYS 64 4.882 7.650 1.344 421 2HE LYS 64 1HE LYS 64 6.060 8.918 1.038 422 1HZ LYS 64 1HZ LYS 64 4.809 9.277 3.025 423 2HZ LYS 64 2HZ LYS 64 3.336 9.340 2.184 424 3HZ LYS 64 3HZ LYS 64 4.504 10.537 1.971 425 H LEU 65 H LEU 65 3.718 3.961 -2.558 426 HA LEU 65 HA LEU 65 2.890 1.970 -0.570 427 1HB LEU 65 2HB LEU 65 2.123 2.304 -3.077 428 2HB LEU 65 1HB LEU 65 3.614 1.571 -3.372 429 HG LEU 65 HG LEU 65 3.168 -0.494 -2.315 430 1HD1 LEU 65 1HD1 LEU 65 1.939 0.307 -0.389 431 2HD1 LEU 65 2HD1 LEU 65 1.070 -1.003 -1.192 432 3HD1 LEU 65 3HD1 LEU 65 0.549 0.668 -1.412 433 1HD2 LEU 65 1HD2 LEU 65 0.773 0.342 -3.945 434 2HD2 LEU 65 2HD2 LEU 65 1.276 -1.314 -3.629 435 3HD2 LEU 65 3HD2 LEU 65 2.306 -0.249 -4.588 436 H TRP 66 H TRP 66 4.863 1.574 0.608 437 HA TRP 66 HA TRP 66 7.103 1.273 -1.069 438 1HB TRP 66 2HB TRP 66 7.787 2.165 1.026 439 2HB TRP 66 1HB TRP 66 6.764 1.057 1.935 440 HD1 TRP 66 HD TRP 66 7.970 -1.040 2.931 441 HE1 TRP 66 1HE TRP 66 10.263 -2.166 2.556 442 HE3 TRP 66 3HE TRP 66 9.572 1.808 -0.885 443 HZ2 TRP 66 2HZ TRP 66 12.475 -1.811 0.784 444 HZ3 TRP 66 3HZ TRP 66 11.726 1.390 -1.881 445 HH2 TRP 66 HH TRP 66 13.112 -0.280 -1.157 446 H ALA 67 H ALA 67 7.617 -0.596 -1.941 447 HA ALA 67 HA ALA 67 6.580 -3.078 -0.818 448 1HB ALA 67 1HB ALA 67 6.852 -2.335 -3.724 449 2HB ALA 67 2HB ALA 67 5.337 -2.518 -2.836 450 3HB ALA 67 3HB ALA 67 6.379 -3.916 -3.107 451 H ARG 68 H ARG 68 8.003 -4.719 -0.779 452 HA ARG 68 HA ARG 68 10.493 -4.494 -2.135 453 1HB ARG 68 2HB ARG 68 10.743 -3.720 0.346 454 2HB ARG 68 1HB ARG 68 10.364 -5.393 0.761 455 1HG ARG 68 2HG ARG 68 12.691 -5.343 0.726 456 2HG ARG 68 1HG ARG 68 12.197 -6.016 -0.849 457 1HD ARG 68 2HD ARG 68 12.324 -3.430 -1.562 458 2HD ARG 68 1HD ARG 68 13.436 -3.371 -0.230 459 HE ARG 68 HE ARG 68 13.975 -5.550 -1.983 460 1HH1 ARG 68 1HH1 ARG 68 14.878 -2.246 -1.135 461 2HH1 ARG 68 2HH1 ARG 68 15.986 -2.033 -2.384 462 1HH2 ARG 68 1HH2 ARG 68 15.506 -5.327 -3.734 463 2HH2 ARG 68 2HH2 ARG 68 16.398 -3.875 -3.921 464 H TYR 69 H TYR 69 9.950 -5.930 -3.305 465 HA TYR 69 HA TYR 69 8.147 -8.151 -2.698 466 1HB TYR 69 2HB TYR 69 9.764 -7.912 -5.243 467 2HB TYR 69 1HB TYR 69 8.226 -8.717 -5.008 468 HD1 TYR 69 1HD TYR 69 6.224 -7.217 -4.527 469 HD2 TYR 69 2HD TYR 69 9.863 -5.761 -6.089 470 HE1 TYR 69 1HE TYR 69 5.057 -5.290 -5.368 471 HE2 TYR 69 2HE TYR 69 8.722 -3.776 -6.963 472 HH TYR 69 HH TYR 69 6.412 -3.156 -7.640 473 H ALA 70 H ALA 70 8.759 -10.466 -3.281 474 HA ALA 70 HA ALA 70 11.567 -11.093 -2.616 475 1HB ALA 70 1HB ALA 70 9.189 -12.928 -3.007 476 2HB ALA 70 2HB ALA 70 9.751 -12.344 -1.440 477 3HB ALA 70 3HB ALA 70 10.782 -13.391 -2.409 478 H PHE 71 H PHE 71 9.975 -10.238 -5.172 479 HA PHE 71 HA PHE 71 11.513 -11.822 -7.001 480 1HB PHE 71 2HB PHE 71 10.042 -9.178 -7.367 481 2HB PHE 71 1HB PHE 71 10.703 -10.164 -8.674 482 HD1 PHE 71 1HD PHE 71 7.906 -9.628 -6.489 483 HD2 PHE 71 2HD PHE 71 9.759 -12.466 -9.049 484 HE1 PHE 71 1HE PHE 71 5.816 -10.917 -6.573 485 HE2 PHE 71 2HE PHE 71 7.669 -13.754 -9.144 486 HZ PHE 71 HZ PHE 71 5.695 -12.984 -7.903 487 H GLY 72 H GLY 72 11.894 -9.404 -4.749 488 1HA GLY 72 2HA GLY 72 13.748 -8.706 -3.851 489 2HA GLY 72 1HA GLY 72 14.667 -9.297 -5.201 490 H GLN 73 H GLN 73 12.191 -7.398 -6.318 491 HA GLN 73 HA GLN 73 13.858 -5.015 -6.439 492 1HB GLN 73 2HB GLN 73 11.544 -5.975 -8.044 493 2HB GLN 73 1HB GLN 73 11.648 -4.241 -7.805 494 1HG GLN 73 2HG GLN 73 12.677 -4.638 -9.866 495 2HG GLN 73 1HG GLN 73 13.999 -4.390 -8.745 496 1HE2 GLN 73 1HE2 GLN 73 13.863 -7.152 -7.709 497 2HE2 GLN 73 2HE2 GLN 73 14.432 -8.164 -8.984 498 H GLU 74 H GLU 74 12.633 -2.883 -6.169 499 HA GLU 74 HA GLU 74 10.766 -3.086 -3.936 500 1HB GLU 74 2HB GLU 74 11.892 -1.284 -2.849 501 2HB GLU 74 1HB GLU 74 13.080 -2.528 -3.191 502 1HG GLU 74 2HG GLU 74 12.665 -0.060 -4.848 503 2HG GLU 74 1HG GLU 74 13.859 -0.180 -3.561 504 H THR 75 H THR 75 9.772 -0.862 -3.616 505 HA THR 75 HA THR 75 9.941 1.128 -5.554 506 HB THR 75 HB THR 75 8.489 -0.706 -6.755 507 HG1 THR 75 1HG THR 75 7.151 0.805 -7.634 508 1HG2 THR 75 1HG2 THR 75 6.423 0.339 -4.808 509 2HG2 THR 75 2HG2 THR 75 7.076 -1.297 -4.834 510 3HG2 THR 75 3HG2 THR 75 6.101 -0.715 -6.184 511 H ASN 76 H ASN 76 8.811 2.959 -4.709 512 HA ASN 76 HA ASN 76 7.188 2.542 -2.366 513 1HB ASN 76 2HB ASN 76 8.476 4.444 -1.140 514 2HB ASN 76 1HB ASN 76 9.194 2.845 -1.136 515 1HD2 ASN 76 1HD2 ASN 76 11.307 2.526 -2.150 516 2HD2 ASN 76 2HD2 ASN 76 12.110 3.878 -2.836 517 H VAL 77 H VAL 77 5.395 3.273 -3.307 518 HA VAL 77 HA VAL 77 5.725 5.939 -4.504 519 HB VAL 77 HB VAL 77 6.448 4.845 -5.917 520 1HG1 VAL 77 1HG1 VAL 77 5.671 2.514 -5.640 521 2HG1 VAL 77 2HG1 VAL 77 5.252 2.871 -7.315 522 3HG1 VAL 77 3HG1 VAL 77 4.020 2.971 -6.056 523 1HG2 VAL 77 1HG2 VAL 77 5.048 5.105 -8.110 524 2HG2 VAL 77 2HG2 VAL 77 5.197 6.499 -7.040 525 3HG2 VAL 77 3HG2 VAL 77 3.729 5.523 -7.017 526 HA PRO 78 HA PRO 78 1.783 7.483 -3.498 527 1HB PRO 78 2HB PRO 78 2.397 8.822 -6.098 528 2HB PRO 78 1HB PRO 78 1.806 9.519 -4.579 529 1HG PRO 78 2HG PRO 78 4.346 9.787 -5.219 530 2HG PRO 78 1HG PRO 78 3.882 9.391 -3.552 531 1HD PRO 78 2HD PRO 78 4.961 7.576 -5.681 532 2HD PRO 78 1HD PRO 78 5.345 7.509 -3.973 533 H LEU 79 H LEU 79 0.349 6.213 -3.675 534 HA LEU 79 HA LEU 79 -0.464 5.054 -6.211 535 1HB LEU 79 2HB LEU 79 -1.520 3.341 -4.680 536 2HB LEU 79 1HB LEU 79 0.242 3.591 -4.551 537 HG LEU 79 HG LEU 79 0.010 4.733 -2.477 538 1HD1 LEU 79 1HD1 LEU 79 -2.117 4.797 -1.282 539 2HD1 LEU 79 2HD1 LEU 79 -2.941 4.111 -2.683 540 3HD1 LEU 79 3HD1 LEU 79 -2.219 5.719 -2.780 541 1HD2 LEU 79 1HD2 LEU 79 -0.726 2.845 -1.118 542 2HD2 LEU 79 2HD2 LEU 79 0.294 2.345 -2.469 543 3HD2 LEU 79 3HD2 LEU 79 -1.453 2.113 -2.549 544 H ASN 80 H ASN 80 -1.015 7.716 -5.150 545 HA ASN 80 HA ASN 80 -3.503 8.199 -4.073 546 1HB ASN 80 2HB ASN 80 -2.043 9.989 -4.059 547 2HB ASN 80 1HB ASN 80 -1.696 9.866 -5.785 548 1HD2 ASN 80 1HD2 ASN 80 -3.735 11.182 -3.339 549 2HD2 ASN 80 2HD2 ASN 80 -4.690 12.164 -4.393 550 H ASN 81 H ASN 81 -2.903 7.335 -7.245 551 HA ASN 81 HA ASN 81 -5.399 8.439 -8.266 552 1HB ASN 81 2HB ASN 81 -3.198 6.968 -9.686 553 2HB ASN 81 1HB ASN 81 -4.714 7.388 -10.480 554 1HD2 ASN 81 1HD2 ASN 81 -1.797 8.596 -9.069 555 2HD2 ASN 81 2HD2 ASN 81 -1.920 10.214 -9.673 556 H PHE 82 H PHE 82 -5.006 5.782 -6.499 557 HA PHE 82 HA PHE 82 -7.109 4.346 -7.974 558 1HB PHE 82 2HB PHE 82 -5.093 3.240 -6.002 559 2HB PHE 82 1HB PHE 82 -6.364 2.332 -6.803 560 HD1 PHE 82 1HD PHE 82 -2.985 3.498 -6.960 561 HD2 PHE 82 2HD PHE 82 -6.231 2.065 -9.315 562 HE1 PHE 82 1HE PHE 82 -1.423 2.940 -8.768 563 HE2 PHE 82 2HE PHE 82 -4.670 1.502 -11.130 564 HZ PHE 82 HZ PHE 82 -2.263 1.939 -10.858 565 H SER 83 H SER 83 -8.443 3.198 -6.537 566 HA SER 83 HA SER 83 -9.187 4.816 -4.199 567 1HB SER 83 2HB SER 83 -10.691 3.041 -6.060 568 2HB SER 83 1HB SER 83 -11.439 3.571 -4.532 569 HG SER 83 HG SER 83 -11.800 5.401 -5.412 570 H ALA 84 H ALA 84 -10.675 3.054 -2.648 571 HA ALA 84 HA ALA 84 -8.825 1.916 -1.028 572 1HB ALA 84 1HB ALA 84 -11.015 2.372 -0.340 573 2HB ALA 84 2HB ALA 84 -10.689 0.669 -0.007 574 3HB ALA 84 3HB ALA 84 -11.701 1.126 -1.387 575 H ASP 85 H ASP 85 -11.128 0.097 -3.018 576 HA ASP 85 HA ASP 85 -10.069 -2.497 -2.672 577 1HB ASP 85 2HB ASP 85 -11.768 -1.520 -4.988 578 2HB ASP 85 1HB ASP 85 -11.615 -3.174 -4.416 579 H GLN 86 H GLN 86 -9.834 -0.069 -5.138 580 HA GLN 86 HA GLN 86 -8.200 -1.567 -6.919 581 1HB GLN 86 2HB GLN 86 -9.246 1.139 -6.863 582 2HB GLN 86 1HB GLN 86 -7.626 1.025 -7.546 583 1HG GLN 86 2HG GLN 86 -10.019 -0.573 -8.418 584 2HG GLN 86 1HG GLN 86 -9.314 0.808 -9.270 585 1HE2 GLN 86 1HE2 GLN 86 -7.327 0.559 -10.317 586 2HE2 GLN 86 2HE2 GLN 86 -6.646 -1.002 -10.592 587 H VAL 87 H VAL 87 -7.161 0.706 -4.393 588 HA VAL 87 HA VAL 87 -4.507 0.344 -5.198 589 HB VAL 87 HB VAL 87 -3.753 1.021 -2.897 590 1HG1 VAL 87 1HG1 VAL 87 -4.622 3.274 -2.861 591 2HG1 VAL 87 2HG1 VAL 87 -5.878 2.806 -4.008 592 3HG1 VAL 87 3HG1 VAL 87 -4.182 2.755 -4.487 593 1HG2 VAL 87 1HG2 VAL 87 -5.457 0.011 -1.594 594 2HG2 VAL 87 2HG2 VAL 87 -6.663 1.139 -2.233 595 3HG2 VAL 87 3HG2 VAL 87 -5.323 1.729 -1.235 596 H THR 88 H THR 88 -6.512 -1.496 -2.923 597 HA THR 88 HA THR 88 -4.336 -3.200 -2.341 598 HB THR 88 HB THR 88 -5.995 -4.759 -1.344 599 HG1 THR 88 1HG THR 88 -7.697 -3.286 -2.915 600 1HG2 THR 88 1HG2 THR 88 -6.693 -3.179 0.366 601 2HG2 THR 88 2HG2 THR 88 -6.256 -1.841 -0.701 602 3HG2 THR 88 3HG2 THR 88 -5.012 -2.938 -0.101 603 H ARG 89 H ARG 89 -6.599 -3.369 -4.806 604 HA ARG 89 HA ARG 89 -5.850 -6.037 -5.631 605 1HB ARG 89 2HB ARG 89 -8.124 -5.213 -6.148 606 2HB ARG 89 1HB ARG 89 -7.448 -3.925 -7.130 607 1HG ARG 89 2HG ARG 89 -6.702 -5.460 -8.781 608 2HG ARG 89 1HG ARG 89 -7.040 -6.840 -7.738 609 1HD ARG 89 2HD ARG 89 -8.764 -6.645 -9.422 610 2HD ARG 89 1HD ARG 89 -9.438 -6.307 -7.835 611 HE ARG 89 HE ARG 89 -8.624 -4.022 -9.441 612 1HH1 ARG 89 1HH1 ARG 89 -11.308 -5.968 -8.126 613 2HH1 ARG 89 2HH1 ARG 89 -12.522 -4.932 -8.705 614 1HH2 ARG 89 1HH2 ARG 89 -10.341 -2.642 -10.313 615 2HH2 ARG 89 2HH2 ARG 89 -11.970 -3.028 -10.015 616 H ALA 90 H ALA 90 -5.111 -2.753 -6.625 617 HA ALA 90 HA ALA 90 -3.235 -3.458 -8.645 618 1HB ALA 90 1HB ALA 90 -2.337 -1.207 -8.401 619 2HB ALA 90 2HB ALA 90 -3.204 -1.000 -6.877 620 3HB ALA 90 3HB ALA 90 -4.101 -1.149 -8.390 621 H LEU 91 H LEU 91 -2.884 -3.073 -5.110 622 HA LEU 91 HA LEU 91 -0.153 -3.609 -4.953 623 1HB LEU 91 2HB LEU 91 -2.319 -4.512 -2.951 624 2HB LEU 91 1HB LEU 91 -0.731 -5.108 -2.925 625 HG LEU 91 HG LEU 91 0.262 -2.974 -2.473 626 1HD1 LEU 91 1HD1 LEU 91 -1.049 -1.011 -1.959 627 2HD1 LEU 91 2HD1 LEU 91 -2.509 -1.845 -2.494 628 3HD1 LEU 91 3HD1 LEU 91 -1.219 -1.494 -3.645 629 1HD2 LEU 91 1HD2 LEU 91 -0.635 -2.630 -0.233 630 2HD2 LEU 91 2HD2 LEU 91 -0.438 -4.339 -0.620 631 3HD2 LEU 91 3HD2 LEU 91 -2.042 -3.605 -0.653 632 H GLU 92 H GLU 92 -2.801 -5.918 -4.952 633 HA GLU 92 HA GLU 92 -1.031 -8.140 -4.933 634 1HB GLU 92 2HB GLU 92 -3.634 -8.056 -4.386 635 2HB GLU 92 1HB GLU 92 -3.800 -8.193 -6.101 636 1HG GLU 92 2HG GLU 92 -4.070 -10.374 -5.249 637 2HG GLU 92 1HG GLU 92 -2.527 -10.305 -6.094 638 H ASN 93 H ASN 93 -2.547 -6.483 -7.546 639 HA ASN 93 HA ASN 93 -1.612 -7.929 -9.710 640 1HB ASN 93 2HB ASN 93 -2.279 -5.113 -9.166 641 2HB ASN 93 1HB ASN 93 -1.372 -5.326 -10.625 642 1HD2 ASN 93 1HD2 ASN 93 -3.781 -7.660 -9.367 643 2HD2 ASN 93 2HD2 ASN 93 -4.928 -7.354 -10.596 644 H VAL 94 H VAL 94 -0.041 -5.035 -8.343 645 HA VAL 94 HA VAL 94 2.381 -5.341 -9.739 646 HB VAL 94 HB VAL 94 3.406 -3.974 -8.176 647 1HG1 VAL 94 1HG1 VAL 94 0.766 -2.896 -9.250 648 2HG1 VAL 94 2HG1 VAL 94 2.307 -2.929 -10.108 649 3HG1 VAL 94 3HG1 VAL 94 2.081 -1.840 -8.737 650 1HG2 VAL 94 1HG2 VAL 94 2.330 -4.296 -6.106 651 2HG2 VAL 94 2HG2 VAL 94 0.786 -3.729 -6.737 652 3HG2 VAL 94 3HG2 VAL 94 2.116 -2.593 -6.512 653 H LEU 95 H LEU 95 1.574 -6.480 -6.607 654 HA LEU 95 HA LEU 95 4.342 -7.099 -6.614 655 1HB LEU 95 2HB LEU 95 4.119 -7.509 -4.161 656 2HB LEU 95 1HB LEU 95 3.853 -5.886 -4.768 657 HG LEU 95 HG LEU 95 1.396 -6.549 -4.767 658 1HD1 LEU 95 1HD1 LEU 95 0.698 -8.048 -3.029 659 2HD1 LEU 95 2HD1 LEU 95 2.375 -8.540 -2.778 660 3HD1 LEU 95 3HD1 LEU 95 1.577 -8.859 -4.321 661 1HD2 LEU 95 1HD2 LEU 95 2.891 -5.959 -2.253 662 2HD2 LEU 95 2HD2 LEU 95 1.158 -5.734 -2.491 663 3HD2 LEU 95 3HD2 LEU 95 2.310 -4.801 -3.446 664 H SER 96 H SER 96 1.429 -8.893 -6.522 665 HA SER 96 HA SER 96 3.085 -11.019 -5.852 666 1HB SER 96 2HB SER 96 0.143 -10.978 -6.521 667 2HB SER 96 1HB SER 96 1.013 -12.463 -6.107 668 HG SER 96 HG SER 96 -0.004 -10.688 -4.440 669 H GLY 97 H GLY 97 2.120 -9.380 -8.806 670 1HA GLY 97 2HA GLY 97 3.765 -11.302 -10.189 671 2HA GLY 97 1HA GLY 97 2.091 -11.284 -10.685 672 H LYS 98 H LYS 98 3.446 -8.076 -9.862 673 HA LYS 98 HA LYS 98 3.350 -7.739 -12.807 674 1HB LYS 98 2HB LYS 98 2.142 -6.199 -10.930 675 2HB LYS 98 1HB LYS 98 3.639 -5.326 -11.146 676 1HG LYS 98 2HG LYS 98 1.673 -5.970 -13.337 677 2HG LYS 98 1HG LYS 98 1.819 -4.425 -12.512 678 1HD LYS 98 2HD LYS 98 4.103 -4.193 -13.399 679 2HD LYS 98 1HD LYS 98 3.926 -5.738 -14.234 680 1HE LYS 98 2HE LYS 98 2.216 -3.286 -14.681 681 2HE LYS 98 1HE LYS 98 3.520 -3.825 -15.731 682 1HZ LYS 98 1HZ LYS 98 1.320 -4.498 -16.542 683 2HZ LYS 98 2HZ LYS 98 1.027 -5.357 -15.155 684 3HZ LYS 98 3HZ LYS 98 2.274 -5.846 -16.200 685 H ALA 99 H ALA 99 5.123 -7.152 -10.118 686 HA ALA 99 HA ALA 99 7.338 -5.804 -11.248 687 1HB ALA 99 1HB ALA 99 8.329 -6.007 -9.073 688 2HB ALA 99 2HB ALA 99 7.219 -7.328 -8.679 689 3HB ALA 99 3HB ALA 99 6.585 -5.705 -8.920 Start of MODEL 5 1 H GLY 15 H GLY 15 2.594 -11.058 -1.084 2 1HA GLY 15 1HA GLY 15 3.495 -13.306 -1.565 3 2HA GLY 15 2HA GLY 15 3.063 -13.016 -3.251 4 H LEU 16 H LEU 16 4.773 -11.485 -0.542 5 HA LEU 16 HA LEU 16 7.047 -10.997 -2.070 6 1HB LEU 16 2HB LEU 16 7.015 -8.473 -1.737 7 2HB LEU 16 1HB LEU 16 6.125 -9.133 -3.075 8 HG LEU 16 HG LEU 16 4.081 -8.366 -2.241 9 1HD1 LEU 16 1HD1 LEU 16 3.643 -7.741 0.065 10 2HD1 LEU 16 2HD1 LEU 16 5.311 -8.141 0.510 11 3HD1 LEU 16 3HD1 LEU 16 4.198 -9.411 -0.033 12 1HD2 LEU 16 1HD2 LEU 16 5.538 -6.541 -2.794 13 2HD2 LEU 16 2HD2 LEU 16 6.135 -6.486 -1.133 14 3HD2 LEU 16 3HD2 LEU 16 4.450 -6.098 -1.480 15 H ARG 17 H ARG 17 8.234 -9.034 -0.619 16 HA ARG 17 HA ARG 17 8.437 -10.446 1.879 17 1HB ARG 17 2HB ARG 17 10.240 -8.377 0.646 18 2HB ARG 17 1HB ARG 17 10.493 -9.086 2.236 19 1HG ARG 17 2HG ARG 17 10.634 -11.298 1.206 20 2HG ARG 17 1HG ARG 17 10.420 -10.547 -0.379 21 1HD ARG 17 2HD ARG 17 12.473 -9.275 -0.055 22 2HD ARG 17 1HD ARG 17 12.676 -9.996 1.543 23 HE ARG 17 HE ARG 17 12.640 -12.171 0.216 24 1HH1 ARG 17 1HH1 ARG 17 14.178 -9.131 -0.816 25 2HH1 ARG 17 2HH1 ARG 17 15.317 -9.862 -1.838 26 1HH2 ARG 17 1HH2 ARG 17 14.214 -13.204 -1.220 27 2HH2 ARG 17 2HH2 ARG 17 15.321 -12.241 -2.103 28 H GLU 18 H GLU 18 7.556 -7.237 0.659 29 HA GLU 18 HA GLU 18 6.199 -6.764 3.210 30 1HB GLU 18 2HB GLU 18 7.446 -4.694 3.708 31 2HB GLU 18 1HB GLU 18 8.327 -6.205 4.116 32 1HG GLU 18 2HG GLU 18 9.309 -5.568 1.649 33 2HG GLU 18 1HG GLU 18 8.733 -4.018 2.180 34 H ILE 19 H ILE 19 4.628 -5.033 3.272 35 HA ILE 19 HA ILE 19 4.957 -2.989 1.229 36 HB ILE 19 HB ILE 19 2.457 -4.402 2.120 37 1HG1 ILE 19 2HG1 ILE 19 3.617 -5.113 0.064 38 2HG1 ILE 19 1HG1 ILE 19 1.970 -4.570 -0.224 39 1HG2 ILE 19 1HG2 ILE 19 1.037 -2.658 1.116 40 2HG2 ILE 19 2HG2 ILE 19 2.461 -1.641 0.897 41 3HG2 ILE 19 3HG2 ILE 19 1.927 -2.069 2.522 42 1HD1 ILE 19 1HD1 ILE 19 2.820 -2.428 -1.014 43 2HD1 ILE 19 2HD1 ILE 19 3.468 -3.778 -1.945 44 3HD1 ILE 19 3HD1 ILE 19 4.470 -2.981 -0.731 45 H ARG 20 H ARG 20 5.061 -1.077 1.968 46 HA ARG 20 HA ARG 20 4.170 -0.497 4.705 47 1HB ARG 20 2HB ARG 20 6.740 0.382 3.395 48 2HB ARG 20 1HB ARG 20 6.108 1.073 4.877 49 1HG ARG 20 2HG ARG 20 6.366 -1.048 6.014 50 2HG ARG 20 1HG ARG 20 6.898 -1.812 4.511 51 1HD ARG 20 2HD ARG 20 8.827 -0.386 4.412 52 2HD ARG 20 1HD ARG 20 8.266 0.531 5.805 53 HE ARG 20 HE ARG 20 8.504 -1.766 6.957 54 1HH1 ARG 20 1HH1 ARG 20 10.661 -0.550 4.421 55 2HH1 ARG 20 2HH1 ARG 20 12.050 -1.296 5.063 56 1HH2 ARG 20 1HH2 ARG 20 10.341 -2.693 7.843 57 2HH2 ARG 20 2HH2 ARG 20 11.878 -2.589 7.122 58 H ILE 21 H ILE 21 2.548 0.848 4.450 59 HA ILE 21 HA ILE 21 2.238 2.540 2.107 60 HB ILE 21 HB ILE 21 0.817 3.401 4.425 61 1HG1 ILE 21 2HG1 ILE 21 0.041 0.599 3.540 62 2HG1 ILE 21 1HG1 ILE 21 0.978 0.929 4.996 63 1HG2 ILE 21 1HG2 ILE 21 0.181 4.056 2.196 64 2HG2 ILE 21 2HG2 ILE 21 -1.157 3.144 2.900 65 3HG2 ILE 21 3HG2 ILE 21 -0.085 2.375 1.728 66 1HD1 ILE 21 1HD1 ILE 21 -0.846 2.255 5.877 67 2HD1 ILE 21 2HD1 ILE 21 -1.357 0.605 5.511 68 3HD1 ILE 21 3HD1 ILE 21 -1.786 1.930 4.424 69 H HIS 22 H HIS 22 2.772 4.667 2.107 70 HA HIS 22 HA HIS 22 3.644 5.833 4.639 71 1HB HIS 22 2HB HIS 22 3.984 6.745 1.773 72 2HB HIS 22 1HB HIS 22 4.109 7.907 3.086 73 HD1 HIS 22 1HD HIS 22 6.386 6.111 1.009 74 HD2 HIS 22 2HD HIS 22 6.051 6.638 5.137 75 HE1 HIS 22 1HE HIS 22 8.621 5.677 1.926 76 HE2 HIS 22 2HE HIS 22 8.462 6.481 4.275 77 H LEU 23 H LEU 23 2.216 6.857 5.811 78 HA LEU 23 HA LEU 23 -0.189 7.914 4.536 79 1HB LEU 23 2HB LEU 23 -0.624 5.757 5.615 80 2HB LEU 23 1HB LEU 23 0.089 6.344 7.101 81 HG LEU 23 HG LEU 23 -1.745 8.018 7.260 82 1HD1 LEU 23 1HD1 LEU 23 -3.740 7.728 5.889 83 2HD1 LEU 23 2HD1 LEU 23 -2.899 6.512 4.925 84 3HD1 LEU 23 3HD1 LEU 23 -2.335 8.184 4.923 85 1HD2 LEU 23 1HD2 LEU 23 -1.861 5.931 8.492 86 2HD2 LEU 23 2HD2 LEU 23 -2.596 5.132 7.103 87 3HD2 LEU 23 3HD2 LEU 23 -3.466 6.416 7.945 88 H CYS 24 H CYS 24 -1.124 9.657 5.822 89 HA CYS 24 HA CYS 24 -0.414 10.714 8.209 90 1HB CYS 24 2HB CYS 24 1.381 11.663 5.998 91 2HB CYS 24 1HB CYS 24 0.701 12.895 7.045 92 H GLN 25 H GLN 25 -1.085 13.176 8.131 93 HA GLN 25 HA GLN 25 -2.610 13.758 5.761 94 1HB GLN 25 2HB GLN 25 -4.213 13.041 7.603 95 2HB GLN 25 1HB GLN 25 -3.644 14.414 8.538 96 1HG GLN 25 2HG GLN 25 -5.731 14.966 7.467 97 2HG GLN 25 1HG GLN 25 -4.434 15.935 6.781 98 1HE2 GLN 25 1HE2 GLN 25 -7.055 15.189 5.716 99 2HE2 GLN 25 2HE2 GLN 25 -6.764 14.438 4.192 100 H ARG 26 H ARG 26 -0.862 14.792 5.196 101 HA ARG 26 HA ARG 26 -0.196 17.283 6.601 102 1HB ARG 26 2HB ARG 26 1.397 15.341 7.076 103 2HB ARG 26 1HB ARG 26 1.815 15.371 5.378 104 1HG ARG 26 2HG ARG 26 2.237 17.673 7.281 105 2HG ARG 26 1HG ARG 26 3.453 16.463 6.894 106 1HD ARG 26 2HD ARG 26 3.334 17.139 4.535 107 2HD ARG 26 1HD ARG 26 2.147 18.365 4.963 108 HE ARG 26 HE ARG 26 4.247 18.880 6.582 109 1HH1 ARG 26 1HH1 ARG 26 3.781 18.639 3.090 110 2HH1 ARG 26 2HH1 ARG 26 5.091 19.668 2.690 111 1HH2 ARG 26 1HH2 ARG 26 6.084 20.264 6.025 112 2HH2 ARG 26 2HH2 ARG 26 6.433 20.581 4.379 113 H SER 27 H SER 27 0.677 15.415 3.599 114 HA SER 27 HA SER 27 0.045 17.840 2.129 115 1HB SER 27 2HB SER 27 1.971 15.558 1.570 116 2HB SER 27 1HB SER 27 1.675 16.905 0.471 117 HG SER 27 HG SER 27 3.326 17.597 1.513 118 HA PRO 28 HA PRO 28 -2.710 15.936 -1.186 119 1HB PRO 28 2HB PRO 28 -0.885 13.602 -1.606 120 2HB PRO 28 1HB PRO 28 -1.889 14.483 -2.771 121 1HG PRO 28 2HG PRO 28 0.812 14.964 -2.210 122 2HG PRO 28 1HG PRO 28 -0.280 16.035 -3.099 123 1HD PRO 28 2HD PRO 28 0.939 16.602 -0.633 124 2HD PRO 28 1HD PRO 28 -0.437 17.474 -1.334 125 H GLY 29 H GLY 29 -4.093 15.632 0.594 126 1HA GLY 29 2HA GLY 29 -4.302 13.166 1.979 127 2HA GLY 29 1HA GLY 29 -5.535 14.427 1.898 128 H SER 30 H SER 30 -4.987 11.321 1.172 129 HA SER 30 HA SER 30 -6.527 11.453 -1.272 130 1HB SER 30 2HB SER 30 -4.770 9.235 -0.292 131 2HB SER 30 1HB SER 30 -5.437 9.462 -1.913 132 HG SER 30 HG SER 30 -3.700 11.296 -0.643 133 H GLN 31 H GLN 31 -8.291 10.470 -1.345 134 HA GLN 31 HA GLN 31 -9.483 9.665 1.182 135 1HB GLN 31 2HB GLN 31 -11.721 9.991 -0.056 136 2HB GLN 31 1HB GLN 31 -10.779 11.416 0.325 137 1HG GLN 31 2HG GLN 31 -11.626 11.757 -1.844 138 2HG GLN 31 1HG GLN 31 -9.934 11.339 -2.061 139 1HE2 GLN 31 1HE2 GLN 31 -10.218 10.656 -4.157 140 2HE2 GLN 31 2HE2 GLN 31 -11.033 9.184 -4.540 141 H GLY 32 H GLY 32 -8.843 8.447 -1.969 142 1HA GLY 32 2HA GLY 32 -10.273 6.021 -1.561 143 2HA GLY 32 1HA GLY 32 -9.073 6.347 -2.818 144 H VAL 33 H VAL 33 -7.146 7.323 -0.867 145 HA VAL 33 HA VAL 33 -6.146 4.694 -0.267 146 HB VAL 33 HB VAL 33 -4.089 5.487 0.412 147 1HG1 VAL 33 1HG1 VAL 33 -5.020 7.450 -1.613 148 2HG1 VAL 33 2HG1 VAL 33 -4.342 5.839 -1.876 149 3HG1 VAL 33 3HG1 VAL 33 -3.338 7.121 -1.192 150 1HG2 VAL 33 1HG2 VAL 33 -4.713 7.045 2.162 151 2HG2 VAL 33 2HG2 VAL 33 -5.229 8.226 0.959 152 3HG2 VAL 33 3HG2 VAL 33 -3.525 7.790 1.089 153 H ARG 34 H ARG 34 -7.258 7.389 1.746 154 HA ARG 34 HA ARG 34 -7.207 6.145 4.183 155 1HB ARG 34 2HB ARG 34 -8.157 8.464 3.428 156 2HB ARG 34 1HB ARG 34 -9.651 7.597 3.403 157 1HG ARG 34 2HG ARG 34 -9.566 6.852 5.597 158 2HG ARG 34 1HG ARG 34 -7.919 7.425 5.846 159 1HD ARG 34 2HD ARG 34 -8.836 9.767 5.562 160 2HD ARG 34 1HD ARG 34 -10.453 9.048 5.619 161 HE ARG 34 HE ARG 34 -9.267 8.020 7.806 162 1HH1 ARG 34 1HH1 ARG 34 -9.770 11.375 6.748 163 2HH1 ARG 34 2HH1 ARG 34 -9.624 12.001 8.334 164 1HH2 ARG 34 1HH2 ARG 34 -9.097 8.955 9.972 165 2HH2 ARG 34 2HH2 ARG 34 -9.262 10.655 10.144 166 H ASP 35 H ASP 35 -9.519 5.875 1.644 167 HA ASP 35 HA ASP 35 -11.322 4.100 2.867 168 1HB ASP 35 2HB ASP 35 -10.436 4.362 0.024 169 2HB ASP 35 1HB ASP 35 -11.414 3.018 0.412 170 H PHE 36 H PHE 36 -8.478 3.319 0.990 171 HA PHE 36 HA PHE 36 -8.393 0.650 1.586 172 1HB PHE 36 2HB PHE 36 -6.664 1.311 0.037 173 2HB PHE 36 1HB PHE 36 -6.292 2.720 0.974 174 HD1 PHE 36 1HD PHE 36 -5.069 -0.243 -0.248 175 HD2 PHE 36 2HD PHE 36 -5.083 1.940 3.412 176 HE1 PHE 36 1HE PHE 36 -2.969 -1.317 0.397 177 HE2 PHE 36 2HE PHE 36 -2.994 0.852 4.046 178 HZ PHE 36 HZ PHE 36 -1.923 -0.772 2.550 179 H ILE 37 H ILE 37 -6.960 3.178 3.315 180 HA ILE 37 HA ILE 37 -5.799 1.708 5.437 181 HB ILE 37 HB ILE 37 -6.882 4.341 6.155 182 1HG1 ILE 37 2HG1 ILE 37 -5.970 5.060 3.907 183 2HG1 ILE 37 1HG1 ILE 37 -5.026 5.646 5.226 184 1HG2 ILE 37 1HG2 ILE 37 -4.259 3.034 6.704 185 2HG2 ILE 37 2HG2 ILE 37 -5.631 3.214 7.796 186 3HG2 ILE 37 3HG2 ILE 37 -4.708 4.634 7.293 187 1HD1 ILE 37 1HD1 ILE 37 -3.710 4.913 3.350 188 2HD1 ILE 37 2HD1 ILE 37 -4.232 3.245 3.628 189 3HD1 ILE 37 3HD1 ILE 37 -3.271 4.098 4.851 190 H GLU 38 H GLU 38 -9.170 2.624 5.044 191 HA GLU 38 HA GLU 38 -9.690 2.235 7.933 192 1HB GLU 38 2HB GLU 38 -11.374 3.654 5.867 193 2HB GLU 38 1HB GLU 38 -11.829 3.403 7.540 194 1HG GLU 38 2HG GLU 38 -9.513 5.036 6.555 195 2HG GLU 38 1HG GLU 38 -11.056 5.661 7.116 196 H LYS 39 H LYS 39 -11.200 1.871 4.840 197 HA LYS 39 HA LYS 39 -13.218 0.061 5.737 198 1HB LYS 39 2HB LYS 39 -13.457 1.875 4.030 199 2HB LYS 39 1HB LYS 39 -12.395 0.911 3.003 200 1HG LYS 39 2HG LYS 39 -14.033 -0.917 3.049 201 2HG LYS 39 1HG LYS 39 -15.108 0.087 4.027 202 1HD LYS 39 2HD LYS 39 -15.023 1.783 2.172 203 2HD LYS 39 1HD LYS 39 -14.204 0.560 1.197 204 1HE LYS 39 2HE LYS 39 -16.584 0.559 0.726 205 2HE LYS 39 1HE LYS 39 -16.117 -0.947 1.516 206 1HZ LYS 39 1HZ LYS 39 -17.272 1.380 2.950 207 2HZ LYS 39 2HZ LYS 39 -17.020 -0.173 3.577 208 3HZ LYS 39 3HZ LYS 39 -18.187 0.072 2.398 209 H ARG 40 H ARG 40 -10.223 0.006 3.842 210 HA ARG 40 HA ARG 40 -10.907 -2.670 3.015 211 1HB ARG 40 2HB ARG 40 -10.337 -0.892 1.374 212 2HB ARG 40 1HB ARG 40 -8.736 -0.806 2.083 213 1HG ARG 40 2HG ARG 40 -8.616 -2.108 0.104 214 2HG ARG 40 1HG ARG 40 -8.427 -3.144 1.533 215 1HD ARG 40 2HD ARG 40 -10.691 -3.902 1.359 216 2HD ARG 40 1HD ARG 40 -11.018 -2.771 0.046 217 HE ARG 40 HE ARG 40 -9.101 -4.141 -1.043 218 1HH1 ARG 40 1HH1 ARG 40 -11.944 -5.269 0.760 219 2HH1 ARG 40 2HH1 ARG 40 -11.970 -6.823 0.074 220 1HH2 ARG 40 1HH2 ARG 40 -9.211 -6.239 -2.111 221 2HH2 ARG 40 2HH2 ARG 40 -10.418 -7.367 -1.681 222 H TYR 41 H TYR 41 -8.901 -0.880 5.118 223 HA TYR 41 HA TYR 41 -6.529 -2.067 5.447 224 1HB TYR 41 2HB TYR 41 -7.611 -0.355 6.999 225 2HB TYR 41 1HB TYR 41 -8.331 -1.705 7.791 226 HD1 TYR 41 1HD TYR 41 -4.950 -0.373 6.980 227 HD2 TYR 41 2HD TYR 41 -7.320 -2.859 9.478 228 HE1 TYR 41 1HE TYR 41 -3.016 -0.713 8.450 229 HE2 TYR 41 2HE TYR 41 -5.463 -3.231 10.949 230 HH TYR 41 HH TYR 41 -2.701 -1.328 10.934 231 H VAL 42 H VAL 42 -8.978 -3.466 7.491 232 HA VAL 42 HA VAL 42 -7.404 -5.688 8.092 233 HB VAL 42 HB VAL 42 -9.058 -5.070 9.624 234 1HG1 VAL 42 1HG1 VAL 42 -11.090 -5.279 7.422 235 2HG1 VAL 42 2HG1 VAL 42 -10.369 -3.818 8.110 236 3HG1 VAL 42 3HG1 VAL 42 -11.418 -4.833 9.117 237 1HG2 VAL 42 1HG2 VAL 42 -8.823 -7.470 9.488 238 2HG2 VAL 42 2HG2 VAL 42 -10.065 -7.559 8.236 239 3HG2 VAL 42 3HG2 VAL 42 -10.494 -7.060 9.880 240 H GLU 43 H GLU 43 -9.766 -5.111 5.607 241 HA GLU 43 HA GLU 43 -9.818 -7.755 4.559 242 1HB GLU 43 2HB GLU 43 -10.407 -5.105 3.222 243 2HB GLU 43 1HB GLU 43 -10.698 -6.679 2.513 244 1HG GLU 43 2HG GLU 43 -12.030 -5.595 4.979 245 2HG GLU 43 1HG GLU 43 -12.730 -5.635 3.364 246 H LEU 44 H LEU 44 -7.523 -5.016 4.102 247 HA LEU 44 HA LEU 44 -6.431 -6.507 1.893 248 1HB LEU 44 2HB LEU 44 -4.830 -4.674 1.699 249 2HB LEU 44 1HB LEU 44 -6.484 -4.123 1.679 250 HG LEU 44 HG LEU 44 -5.873 -3.726 4.276 251 1HD1 LEU 44 1HD1 LEU 44 -3.682 -2.709 4.376 252 2HD1 LEU 44 2HD1 LEU 44 -3.360 -3.308 2.737 253 3HD1 LEU 44 3HD1 LEU 44 -3.618 -4.442 4.053 254 1HD2 LEU 44 1HD2 LEU 44 -6.907 -2.167 2.785 255 2HD2 LEU 44 2HD2 LEU 44 -5.356 -1.881 1.993 256 3HD2 LEU 44 3HD2 LEU 44 -5.588 -1.418 3.681 257 H LYS 45 H LYS 45 -5.973 -6.283 5.193 258 HA LYS 45 HA LYS 45 -3.445 -7.556 5.304 259 1HB LYS 45 2HB LYS 45 -5.728 -7.558 7.287 260 2HB LYS 45 1HB LYS 45 -4.123 -8.187 7.622 261 1HG LYS 45 2HG LYS 45 -3.174 -5.964 7.285 262 2HG LYS 45 1HG LYS 45 -4.776 -5.333 6.919 263 1HD LYS 45 2HD LYS 45 -4.096 -4.838 9.221 264 2HD LYS 45 1HD LYS 45 -5.520 -5.876 9.170 265 1HE LYS 45 2HE LYS 45 -4.147 -7.821 9.637 266 2HE LYS 45 1HE LYS 45 -2.690 -6.833 9.585 267 1HZ LYS 45 1HZ LYS 45 -3.348 -5.703 11.551 268 2HZ LYS 45 2HZ LYS 45 -3.540 -7.340 11.867 269 3HZ LYS 45 3HZ LYS 45 -4.888 -6.377 11.535 270 H LYS 46 H LYS 46 -6.789 -8.758 5.259 271 HA LYS 46 HA LYS 46 -5.926 -11.542 5.340 272 1HB LYS 46 2HB LYS 46 -8.261 -12.070 5.359 273 2HB LYS 46 1HB LYS 46 -8.015 -10.696 6.433 274 1HG LYS 46 2HG LYS 46 -8.614 -9.449 4.017 275 2HG LYS 46 1HG LYS 46 -9.405 -10.905 3.877 276 1HD LYS 46 2HD LYS 46 -9.925 -9.862 6.532 277 2HD LYS 46 1HD LYS 46 -10.613 -8.923 5.204 278 1HE LYS 46 2HE LYS 46 -10.916 -11.896 5.534 279 2HE LYS 46 1HE LYS 46 -12.110 -10.695 6.046 280 1HZ LYS 46 1HZ LYS 46 -11.156 -11.077 3.240 281 2HZ LYS 46 2HZ LYS 46 -12.231 -9.906 3.776 282 3HZ LYS 46 3HZ LYS 46 -12.672 -11.528 3.844 283 H ALA 47 H ALA 47 -6.774 -9.157 2.946 284 HA ALA 47 HA ALA 47 -7.765 -10.853 1.118 285 1HB ALA 47 1HB ALA 47 -7.453 -9.072 -0.616 286 2HB ALA 47 2HB ALA 47 -6.479 -8.191 0.551 287 3HB ALA 47 3HB ALA 47 -8.192 -8.485 0.882 288 H ASN 48 H ASN 48 -4.630 -9.738 1.939 289 HA ASN 48 HA ASN 48 -3.320 -11.187 -0.171 290 1HB ASN 48 2HB ASN 48 -2.413 -8.403 0.742 291 2HB ASN 48 1HB ASN 48 -1.778 -9.379 -0.540 292 1HD2 ASN 48 1HD2 ASN 48 -2.911 -6.536 -0.592 293 2HD2 ASN 48 2HD2 ASN 48 -4.093 -6.613 -1.826 294 HA PRO 49 HA PRO 49 -2.346 -12.412 4.174 295 1HB PRO 49 2HB PRO 49 -1.467 -14.886 3.404 296 2HB PRO 49 1HB PRO 49 -3.172 -14.501 3.695 297 1HG PRO 49 2HG PRO 49 -1.647 -14.478 1.124 298 2HG PRO 49 1HG PRO 49 -3.188 -15.266 1.434 299 1HD PRO 49 2HD PRO 49 -3.138 -12.915 0.224 300 2HD PRO 49 1HD PRO 49 -4.327 -13.067 1.521 301 H ASP 50 H ASP 50 -0.468 -13.294 1.535 302 HA ASP 50 HA ASP 50 2.055 -12.985 3.021 303 1HB ASP 50 2HB ASP 50 1.686 -14.798 1.240 304 2HB ASP 50 1HB ASP 50 1.864 -13.520 0.044 305 H LEU 51 H LEU 51 0.508 -10.670 2.784 306 HA LEU 51 HA LEU 51 2.441 -9.007 1.430 307 1HB LEU 51 2HB LEU 51 0.301 -9.087 0.173 308 2HB LEU 51 1HB LEU 51 -0.569 -8.519 1.568 309 HG LEU 51 HG LEU 51 1.508 -6.905 0.051 310 1HD1 LEU 51 1HD1 LEU 51 -1.467 -6.770 -0.074 311 2HD1 LEU 51 2HD1 LEU 51 -0.384 -7.361 -1.336 312 3HD1 LEU 51 3HD1 LEU 51 -0.337 -5.664 -0.857 313 1HD2 LEU 51 1HD2 LEU 51 -0.523 -6.039 2.083 314 2HD2 LEU 51 2HD2 LEU 51 0.583 -4.989 1.195 315 3HD2 LEU 51 3HD2 LEU 51 1.213 -6.160 2.352 316 HA PRO 52 HA PRO 52 2.761 -7.884 5.920 317 1HB PRO 52 2HB PRO 52 4.695 -6.292 4.353 318 2HB PRO 52 1HB PRO 52 4.851 -6.954 5.977 319 1HG PRO 52 2HG PRO 52 5.998 -8.204 3.977 320 2HG PRO 52 1HG PRO 52 5.052 -9.183 5.106 321 1HD PRO 52 2HD PRO 52 4.344 -8.215 2.368 322 2HD PRO 52 1HD PRO 52 3.970 -9.772 3.143 323 H ILE 53 H ILE 53 1.699 -6.308 6.740 324 HA ILE 53 HA ILE 53 0.897 -4.017 5.055 325 HB ILE 53 HB ILE 53 -0.540 -5.017 7.536 326 1HG1 ILE 53 2HG1 ILE 53 -0.559 -6.815 5.774 327 2HG1 ILE 53 1HG1 ILE 53 -2.150 -6.234 6.221 328 1HG2 ILE 53 1HG2 ILE 53 -1.092 -2.750 7.009 329 2HG2 ILE 53 2HG2 ILE 53 -2.482 -3.775 6.619 330 3HG2 ILE 53 3HG2 ILE 53 -1.446 -3.179 5.336 331 1HD1 ILE 53 1HD1 ILE 53 -0.630 -5.528 3.709 332 2HD1 ILE 53 2HD1 ILE 53 -2.220 -4.914 4.151 333 3HD1 ILE 53 3HD1 ILE 53 -2.017 -6.610 3.824 334 H LEU 54 H LEU 54 2.608 -2.607 5.731 335 HA LEU 54 HA LEU 54 2.628 -1.966 8.603 336 1HB LEU 54 2HB LEU 54 4.904 -1.716 6.623 337 2HB LEU 54 1HB LEU 54 4.938 -1.044 8.231 338 HG LEU 54 HG LEU 54 6.247 -2.968 8.298 339 1HD1 LEU 54 1HD1 LEU 54 3.599 -3.702 9.476 340 2HD1 LEU 54 2HD1 LEU 54 4.891 -2.770 10.232 341 3HD1 LEU 54 3HD1 LEU 54 5.141 -4.472 9.848 342 1HD2 LEU 54 1HD2 LEU 54 5.528 -5.202 7.574 343 2HD2 LEU 54 2HD2 LEU 54 5.564 -4.051 6.241 344 3HD2 LEU 54 3HD2 LEU 54 4.023 -4.510 6.968 345 H ILE 55 H ILE 55 2.683 0.203 9.196 346 HA ILE 55 HA ILE 55 1.866 2.027 7.060 347 HB ILE 55 HB ILE 55 1.067 2.095 10.007 348 1HG1 ILE 55 2HG1 ILE 55 -1.341 2.127 8.913 349 2HG1 ILE 55 1HG1 ILE 55 -0.497 1.621 7.479 350 1HG2 ILE 55 1HG2 ILE 55 0.439 4.146 7.895 351 2HG2 ILE 55 2HG2 ILE 55 1.508 4.353 9.279 352 3HG2 ILE 55 3HG2 ILE 55 -0.221 4.117 9.532 353 1HD1 ILE 55 1HD1 ILE 55 0.278 -0.397 8.558 354 2HD1 ILE 55 2HD1 ILE 55 -1.479 -0.272 8.632 355 3HD1 ILE 55 3HD1 ILE 55 -0.511 0.083 10.061 356 H ARG 56 H ARG 56 3.280 3.446 6.559 357 HA ARG 56 HA ARG 56 5.223 4.361 8.541 358 1HB ARG 56 2HB ARG 56 5.416 4.426 5.540 359 2HB ARG 56 1HB ARG 56 6.627 5.038 6.649 360 1HG ARG 56 2HG ARG 56 6.679 2.614 7.574 361 2HG ARG 56 1HG ARG 56 5.939 2.201 6.023 362 1HD ARG 56 2HD ARG 56 8.330 1.989 5.820 363 2HD ARG 56 1HD ARG 56 7.801 3.384 4.879 364 HE ARG 56 HE ARG 56 8.558 3.984 7.573 365 1HH1 ARG 56 1HH1 ARG 56 9.999 3.451 4.349 366 2HH1 ARG 56 2HH1 ARG 56 11.226 4.623 4.623 367 1HH2 ARG 56 1HH2 ARG 56 10.348 5.528 7.863 368 2HH2 ARG 56 2HH2 ARG 56 11.429 5.744 6.544 369 H GLU 57 H GLU 57 5.979 6.692 7.829 370 HA GLU 57 HA GLU 57 3.444 8.124 7.460 371 1HB GLU 57 2HB GLU 57 5.523 8.721 9.532 372 2HB GLU 57 1HB GLU 57 4.125 9.732 9.189 373 1HG GLU 57 2HG GLU 57 2.651 7.859 9.775 374 2HG GLU 57 1HG GLU 57 4.069 6.888 10.167 375 H CYS 58 H CYS 58 3.394 10.118 6.833 376 HA CYS 58 HA CYS 58 3.668 11.758 5.337 377 1HB CYS 58 2HB CYS 58 5.768 12.308 7.405 378 2HB CYS 58 1HB CYS 58 5.242 13.493 6.223 379 H SER 59 H SER 59 7.183 11.671 5.892 380 HA SER 59 HA SER 59 8.929 11.498 4.603 381 1HB SER 59 2HB SER 59 7.185 10.316 2.451 382 2HB SER 59 1HB SER 59 8.941 10.173 2.602 383 HG SER 59 HG SER 59 7.520 9.459 4.832 384 H ASP 60 H ASP 60 6.393 12.507 2.130 385 HA ASP 60 HA ASP 60 7.820 14.956 1.861 386 1HB ASP 60 2HB ASP 60 8.003 14.585 -0.724 387 2HB ASP 60 1HB ASP 60 9.248 13.921 0.321 388 H VAL 61 H VAL 61 5.827 13.376 -0.535 389 HA VAL 61 HA VAL 61 3.851 15.373 -0.011 390 HB VAL 61 HB VAL 61 2.487 14.226 -1.878 391 1HG1 VAL 61 1HG1 VAL 61 3.774 16.243 -2.276 392 2HG1 VAL 61 2HG1 VAL 61 3.871 15.171 -3.673 393 3HG1 VAL 61 3HG1 VAL 61 5.227 15.285 -2.550 394 1HG2 VAL 61 1HG2 VAL 61 3.567 12.040 -1.828 395 2HG2 VAL 61 2HG2 VAL 61 5.103 12.761 -2.319 396 3HG2 VAL 61 3HG2 VAL 61 3.719 12.772 -3.423 397 H GLN 62 H GLN 62 2.960 11.979 -0.558 398 HA GLN 62 HA GLN 62 2.497 11.726 2.098 399 1HB GLN 62 2HB GLN 62 0.725 13.356 1.789 400 2HB GLN 62 1HB GLN 62 -0.123 12.238 0.721 401 1HG GLN 62 2HG GLN 62 -0.733 10.852 2.431 402 2HG GLN 62 1HG GLN 62 0.587 11.382 3.476 403 1HE2 GLN 62 1HE2 GLN 62 -2.612 12.019 2.397 404 2HE2 GLN 62 2HE2 GLN 62 -2.927 13.291 3.517 405 HA PRO 63 HA PRO 63 0.505 7.734 0.963 406 1HB PRO 63 2HB PRO 63 -1.058 7.360 -1.180 407 2HB PRO 63 1HB PRO 63 -1.647 8.129 0.285 408 1HG PRO 63 2HG PRO 63 -1.077 9.286 -2.343 409 2HG PRO 63 1HG PRO 63 -2.037 9.958 -1.022 410 1HD PRO 63 2HD PRO 63 0.671 10.586 -1.790 411 2HD PRO 63 1HD PRO 63 -0.308 11.328 -0.511 412 H LYS 64 H LYS 64 2.769 7.324 0.423 413 HA LYS 64 HA LYS 64 3.178 6.325 -2.371 414 1HB LYS 64 2HB LYS 64 5.157 6.716 -0.110 415 2HB LYS 64 1HB LYS 64 5.542 5.960 -1.637 416 1HG LYS 64 2HG LYS 64 6.388 8.109 -1.593 417 2HG LYS 64 1HG LYS 64 5.049 8.140 -2.760 418 1HD LYS 64 2HD LYS 64 4.746 10.206 -1.382 419 2HD LYS 64 1HD LYS 64 3.711 8.927 -0.806 420 1HE LYS 64 2HE LYS 64 4.887 8.594 1.065 421 2HE LYS 64 1HE LYS 64 6.413 9.097 0.331 422 1HZ LYS 64 1HZ LYS 64 5.494 10.690 1.944 423 2HZ LYS 64 2HZ LYS 64 4.188 10.938 0.912 424 3HZ LYS 64 3HZ LYS 64 5.789 11.272 0.376 425 H LEU 65 H LEU 65 4.011 4.278 -2.709 426 HA LEU 65 HA LEU 65 3.009 2.319 -0.755 427 1HB LEU 65 2HB LEU 65 2.295 2.638 -3.262 428 2HB LEU 65 1HB LEU 65 3.801 1.953 -3.540 429 HG LEU 65 HG LEU 65 3.384 -0.168 -2.609 430 1HD1 LEU 65 1HD1 LEU 65 1.351 -0.788 -1.467 431 2HD1 LEU 65 2HD1 LEU 65 0.771 0.874 -1.569 432 3HD1 LEU 65 3HD1 LEU 65 2.201 0.496 -0.608 433 1HD2 LEU 65 1HD2 LEU 65 0.927 0.699 -4.115 434 2HD2 LEU 65 2HD2 LEU 65 1.498 -0.955 -3.924 435 3HD2 LEU 65 3HD2 LEU 65 2.457 0.207 -4.845 436 H TRP 66 H TRP 66 4.882 1.788 0.466 437 HA TRP 66 HA TRP 66 7.164 1.359 -1.142 438 1HB TRP 66 2HB TRP 66 7.826 2.213 1.011 439 2HB TRP 66 1HB TRP 66 6.777 1.088 1.874 440 HD1 TRP 66 HD TRP 66 7.819 -1.268 2.552 441 HE1 TRP 66 1HE TRP 66 10.110 -2.402 2.200 442 HE3 TRP 66 3HE TRP 66 9.818 2.123 -0.639 443 HZ2 TRP 66 2HZ TRP 66 12.474 -1.847 0.682 444 HZ3 TRP 66 3HZ TRP 66 12.053 1.759 -1.512 445 HH2 TRP 66 HH TRP 66 13.329 -0.124 -0.930 446 H ALA 67 H ALA 67 7.675 -0.574 -1.884 447 HA ALA 67 HA ALA 67 6.418 -2.953 -0.818 448 1HB ALA 67 1HB ALA 67 6.741 -2.257 -3.730 449 2HB ALA 67 2HB ALA 67 5.223 -2.368 -2.840 450 3HB ALA 67 3HB ALA 67 6.194 -3.816 -3.111 451 H ARG 68 H ARG 68 7.948 -4.637 -0.625 452 HA ARG 68 HA ARG 68 10.305 -4.465 -2.267 453 1HB ARG 68 2HB ARG 68 10.757 -3.655 0.150 454 2HB ARG 68 1HB ARG 68 10.418 -5.309 0.628 455 1HG ARG 68 2HG ARG 68 12.632 -5.555 0.406 456 2HG ARG 68 1HG ARG 68 12.214 -5.725 -1.308 457 1HD ARG 68 2HD ARG 68 12.659 -3.272 -1.626 458 2HD ARG 68 1HD ARG 68 13.031 -3.176 0.066 459 HE ARG 68 HE ARG 68 14.596 -4.791 -1.805 460 1HH1 ARG 68 1HH1 ARG 68 14.359 -2.707 1.074 461 2HH1 ARG 68 2HH1 ARG 68 16.041 -2.549 1.269 462 1HH2 ARG 68 1HH2 ARG 68 16.957 -4.586 -1.499 463 2HH2 ARG 68 2HH2 ARG 68 17.529 -3.690 -0.175 464 H TYR 69 H TYR 69 9.647 -5.863 -3.356 465 HA TYR 69 HA TYR 69 8.030 -8.166 -2.670 466 1HB TYR 69 2HB TYR 69 9.649 -7.851 -5.211 467 2HB TYR 69 1HB TYR 69 8.186 -8.791 -4.976 468 HD1 TYR 69 1HD TYR 69 9.533 -5.729 -6.115 469 HD2 TYR 69 2HD TYR 69 6.068 -7.439 -4.401 470 HE1 TYR 69 1HE TYR 69 8.206 -3.856 -6.978 471 HE2 TYR 69 2HE TYR 69 4.728 -5.616 -5.218 472 HH TYR 69 HH TYR 69 5.908 -3.372 -7.559 473 H ALA 70 H ALA 70 8.783 -10.483 -3.193 474 HA ALA 70 HA ALA 70 11.555 -10.975 -2.286 475 1HB ALA 70 1HB ALA 70 9.283 -12.945 -2.737 476 2HB ALA 70 2HB ALA 70 9.670 -12.228 -1.173 477 3HB ALA 70 3HB ALA 70 10.833 -13.290 -1.967 478 H PHE 71 H PHE 71 9.982 -10.496 -5.033 479 HA PHE 71 HA PHE 71 11.682 -11.995 -6.751 480 1HB PHE 71 2HB PHE 71 9.681 -10.798 -7.584 481 2HB PHE 71 1HB PHE 71 10.394 -9.265 -7.105 482 HD1 PHE 71 1HD PHE 71 11.607 -8.042 -8.633 483 HD2 PHE 71 2HD PHE 71 10.984 -12.188 -9.321 484 HE1 PHE 71 1HE PHE 71 12.641 -7.821 -10.851 485 HE2 PHE 71 2HE PHE 71 12.013 -11.975 -11.544 486 HZ PHE 71 HZ PHE 71 12.842 -9.790 -12.309 487 H GLY 72 H GLY 72 11.957 -9.398 -4.595 488 1HA GLY 72 2HA GLY 72 13.700 -8.387 -3.736 489 2HA GLY 72 1HA GLY 72 14.739 -9.267 -4.837 490 H GLN 73 H GLN 73 12.068 -7.064 -5.112 491 HA GLN 73 HA GLN 73 13.580 -5.082 -6.636 492 1HB GLN 73 2HB GLN 73 12.228 -6.365 -8.275 493 2HB GLN 73 1HB GLN 73 10.814 -6.215 -7.260 494 1HG GLN 73 2HG GLN 73 10.742 -3.817 -7.680 495 2HG GLN 73 1HG GLN 73 12.194 -3.942 -8.672 496 1HE2 GLN 73 1HE2 GLN 73 9.763 -6.401 -8.694 497 2HE2 GLN 73 2HE2 GLN 73 9.185 -6.129 -10.293 498 H GLU 74 H GLU 74 13.016 -3.002 -5.940 499 HA GLU 74 HA GLU 74 11.083 -3.046 -3.768 500 1HB GLU 74 2HB GLU 74 12.120 -1.191 -2.717 501 2HB GLU 74 1HB GLU 74 13.404 -2.294 -3.147 502 1HG GLU 74 2HG GLU 74 12.667 0.196 -4.650 503 2HG GLU 74 1HG GLU 74 13.954 0.087 -3.457 504 H THR 75 H THR 75 9.918 -0.966 -3.439 505 HA THR 75 HA THR 75 9.322 0.550 -5.747 506 HB THR 75 HB THR 75 7.641 -1.638 -4.660 507 HG1 THR 75 1HG THR 75 8.910 -1.450 -6.730 508 1HG2 THR 75 1HG2 THR 75 6.162 0.158 -4.299 509 2HG2 THR 75 2HG2 THR 75 5.597 -0.670 -5.746 510 3HG2 THR 75 3HG2 THR 75 6.468 0.876 -5.888 511 H ASN 76 H ASN 76 8.724 2.437 -5.046 512 HA ASN 76 HA ASN 76 7.511 2.765 -2.461 513 1HB ASN 76 2HB ASN 76 9.221 4.688 -1.953 514 2HB ASN 76 1HB ASN 76 9.694 3.030 -1.622 515 1HD2 ASN 76 1HD2 ASN 76 11.526 2.138 -2.726 516 2HD2 ASN 76 2HD2 ASN 76 12.399 3.057 -3.881 517 H VAL 77 H VAL 77 5.627 3.474 -3.436 518 HA VAL 77 HA VAL 77 5.961 6.039 -4.840 519 HB VAL 77 HB VAL 77 6.584 4.854 -6.252 520 1HG1 VAL 77 1HG1 VAL 77 5.720 2.569 -5.843 521 2HG1 VAL 77 2HG1 VAL 77 5.240 2.887 -7.508 522 3HG1 VAL 77 3HG1 VAL 77 4.073 3.088 -6.200 523 1HG2 VAL 77 1HG2 VAL 77 5.074 5.097 -8.371 524 2HG2 VAL 77 2HG2 VAL 77 5.349 6.516 -7.360 525 3HG2 VAL 77 3HG2 VAL 77 3.840 5.612 -7.219 526 HA PRO 78 HA PRO 78 2.123 7.692 -3.579 527 1HB PRO 78 2HB PRO 78 2.504 8.905 -6.287 528 2HB PRO 78 1HB PRO 78 2.039 9.684 -4.763 529 1HG PRO 78 2HG PRO 78 4.522 9.906 -5.607 530 2HG PRO 78 1HG PRO 78 4.204 9.562 -3.894 531 1HD PRO 78 2HD PRO 78 5.053 7.663 -6.061 532 2HD PRO 78 1HD PRO 78 5.620 7.638 -4.403 533 H LEU 79 H LEU 79 0.538 6.538 -3.564 534 HA LEU 79 HA LEU 79 -0.533 5.353 -5.991 535 1HB LEU 79 2HB LEU 79 -1.468 3.590 -4.427 536 2HB LEU 79 1HB LEU 79 0.294 3.809 -4.493 537 HG LEU 79 HG LEU 79 0.403 4.699 -2.316 538 1HD1 LEU 79 1HD1 LEU 79 -2.590 4.516 -2.201 539 2HD1 LEU 79 2HD1 LEU 79 -1.644 6.008 -2.257 540 3HD1 LEU 79 3HD1 LEU 79 -1.516 4.931 -0.867 541 1HD2 LEU 79 1HD2 LEU 79 -0.455 2.835 -1.019 542 2HD2 LEU 79 2HD2 LEU 79 0.349 2.317 -2.501 543 3HD2 LEU 79 3HD2 LEU 79 -1.410 2.320 -2.411 544 H ASN 80 H ASN 80 -0.905 7.977 -4.717 545 HA ASN 80 HA ASN 80 -3.348 8.514 -3.572 546 1HB ASN 80 2HB ASN 80 -1.921 10.308 -3.596 547 2HB ASN 80 1HB ASN 80 -1.533 10.143 -5.296 548 1HD2 ASN 80 1HD2 ASN 80 -3.809 11.374 -2.984 549 2HD2 ASN 80 2HD2 ASN 80 -4.643 12.434 -4.060 550 H ASN 81 H ASN 81 -2.794 7.915 -6.826 551 HA ASN 81 HA ASN 81 -5.369 8.968 -7.656 552 1HB ASN 81 2HB ASN 81 -3.223 7.631 -9.279 553 2HB ASN 81 1HB ASN 81 -4.785 8.064 -9.963 554 1HD2 ASN 81 1HD2 ASN 81 -1.787 9.259 -8.706 555 2HD2 ASN 81 2HD2 ASN 81 -2.006 10.894 -9.225 556 H PHE 82 H PHE 82 -4.802 6.172 -6.113 557 HA PHE 82 HA PHE 82 -6.947 4.833 -7.588 558 1HB PHE 82 2HB PHE 82 -4.790 3.464 -5.958 559 2HB PHE 82 1HB PHE 82 -6.046 2.718 -6.944 560 HD1 PHE 82 1HD PHE 82 -5.901 2.760 -9.385 561 HD2 PHE 82 2HD PHE 82 -2.767 4.259 -6.931 562 HE1 PHE 82 1HE PHE 82 -4.359 2.658 -11.296 563 HE2 PHE 82 2HE PHE 82 -1.219 4.166 -8.837 564 HZ PHE 82 HZ PHE 82 -2.013 3.365 -11.025 565 H SER 83 H SER 83 -8.490 4.053 -6.559 566 HA SER 83 HA SER 83 -9.195 5.014 -3.958 567 1HB SER 83 2HB SER 83 -10.482 3.147 -5.900 568 2HB SER 83 1HB SER 83 -11.321 3.812 -4.476 569 HG SER 83 HG SER 83 -10.365 5.869 -5.625 570 H ALA 84 H ALA 84 -10.516 3.074 -2.629 571 HA ALA 84 HA ALA 84 -8.640 1.902 -1.084 572 1HB ALA 84 1HB ALA 84 -11.488 1.052 -1.485 573 2HB ALA 84 2HB ALA 84 -10.818 2.244 -0.349 574 3HB ALA 84 3HB ALA 84 -10.447 0.536 -0.149 575 H ASP 85 H ASP 85 -10.817 0.227 -3.324 576 HA ASP 85 HA ASP 85 -9.717 -2.392 -3.023 577 1HB ASP 85 2HB ASP 85 -12.042 -1.738 -3.742 578 2HB ASP 85 1HB ASP 85 -11.350 -1.297 -5.252 579 H GLN 86 H GLN 86 -9.639 0.051 -5.343 580 HA GLN 86 HA GLN 86 -7.864 -1.105 -7.267 581 1HB GLN 86 2HB GLN 86 -8.286 1.793 -6.579 582 2HB GLN 86 1HB GLN 86 -7.163 1.267 -7.823 583 1HG GLN 86 2HG GLN 86 -10.134 0.866 -7.763 584 2HG GLN 86 1HG GLN 86 -9.200 1.890 -8.865 585 1HE2 GLN 86 1HE2 GLN 86 -7.820 0.881 -10.332 586 2HE2 GLN 86 2HE2 GLN 86 -8.080 -0.752 -10.851 587 H VAL 87 H VAL 87 -6.798 0.916 -4.557 588 HA VAL 87 HA VAL 87 -4.163 0.285 -5.244 589 HB VAL 87 HB VAL 87 -3.501 0.890 -2.862 590 1HG1 VAL 87 1HG1 VAL 87 -5.303 2.871 -4.196 591 2HG1 VAL 87 2HG1 VAL 87 -3.599 2.605 -4.593 592 3HG1 VAL 87 3HG1 VAL 87 -4.060 3.231 -3.003 593 1HG2 VAL 87 1HG2 VAL 87 -6.413 1.437 -2.554 594 2HG2 VAL 87 2HG2 VAL 87 -5.093 1.869 -1.439 595 3HG2 VAL 87 3HG2 VAL 87 -5.454 0.176 -1.759 596 H THR 88 H THR 88 -6.460 -1.455 -3.125 597 HA THR 88 HA THR 88 -4.409 -3.211 -2.383 598 HB THR 88 HB THR 88 -6.196 -4.693 -1.452 599 HG1 THR 88 1HG THR 88 -7.912 -4.005 -2.896 600 1HG2 THR 88 1HG2 THR 88 -5.064 -2.988 -0.186 601 2HG2 THR 88 2HG2 THR 88 -6.765 -3.089 0.276 602 3HG2 THR 88 3HG2 THR 88 -6.206 -1.780 -0.767 603 H ARG 89 H ARG 89 -6.490 -3.386 -5.032 604 HA ARG 89 HA ARG 89 -5.502 -6.077 -5.472 605 1HB ARG 89 2HB ARG 89 -7.944 -5.566 -5.922 606 2HB ARG 89 1HB ARG 89 -7.414 -4.661 -7.338 607 1HG ARG 89 2HG ARG 89 -6.607 -6.570 -8.411 608 2HG ARG 89 1HG ARG 89 -6.596 -7.511 -6.922 609 1HD ARG 89 2HD ARG 89 -9.088 -7.349 -6.905 610 2HD ARG 89 1HD ARG 89 -8.991 -6.601 -8.504 611 HE ARG 89 HE ARG 89 -8.184 -8.597 -9.394 612 1HH1 ARG 89 1HH1 ARG 89 -9.119 -8.946 -5.973 613 2HH1 ARG 89 2HH1 ARG 89 -9.172 -10.644 -5.996 614 1HH2 ARG 89 1HH2 ARG 89 -8.179 -10.926 -9.396 615 2HH2 ARG 89 2HH2 ARG 89 -8.621 -11.826 -8.014 616 H ALA 90 H ALA 90 -5.013 -2.855 -6.693 617 HA ALA 90 HA ALA 90 -3.165 -3.650 -8.735 618 1HB ALA 90 1HB ALA 90 -3.945 -1.293 -8.520 619 2HB ALA 90 2HB ALA 90 -2.184 -1.413 -8.523 620 3HB ALA 90 3HB ALA 90 -3.046 -1.158 -7.006 621 H LEU 91 H LEU 91 -2.790 -3.126 -5.223 622 HA LEU 91 HA LEU 91 -0.097 -3.771 -5.012 623 1HB LEU 91 2HB LEU 91 -2.363 -4.296 -3.001 624 2HB LEU 91 1HB LEU 91 -0.856 -5.082 -2.870 625 HG LEU 91 HG LEU 91 0.388 -3.114 -2.485 626 1HD1 LEU 91 1HD1 LEU 91 -2.101 -1.529 -3.016 627 2HD1 LEU 91 2HD1 LEU 91 -0.665 -1.598 -4.036 628 3HD1 LEU 91 3HD1 LEU 91 -0.569 -0.894 -2.422 629 1HD2 LEU 91 1HD2 LEU 91 -2.181 -3.023 -0.925 630 2HD2 LEU 91 2HD2 LEU 91 -0.660 -2.267 -0.450 631 3HD2 LEU 91 3HD2 LEU 91 -0.772 -4.023 -0.571 632 H GLU 92 H GLU 92 -2.830 -6.006 -4.817 633 HA GLU 92 HA GLU 92 -1.210 -8.326 -4.739 634 1HB GLU 92 2HB GLU 92 -3.653 -8.364 -4.194 635 2HB GLU 92 1HB GLU 92 -4.006 -8.068 -5.884 636 1HG GLU 92 2HG GLU 92 -2.762 -10.229 -6.372 637 2HG GLU 92 1HG GLU 92 -2.862 -10.540 -4.641 638 H ASN 93 H ASN 93 -2.544 -6.699 -7.491 639 HA ASN 93 HA ASN 93 -1.703 -8.305 -9.545 640 1HB ASN 93 2HB ASN 93 -2.359 -5.532 -9.162 641 2HB ASN 93 1HB ASN 93 -1.133 -5.639 -10.388 642 1HD2 ASN 93 1HD2 ASN 93 -4.369 -6.164 -9.517 643 2HD2 ASN 93 2HD2 ASN 93 -4.951 -6.657 -11.064 644 H VAL 94 H VAL 94 0.143 -5.495 -8.385 645 HA VAL 94 HA VAL 94 2.578 -6.255 -9.653 646 HB VAL 94 HB VAL 94 3.661 -4.814 -8.096 647 1HG1 VAL 94 1HG1 VAL 94 1.334 -3.595 -9.654 648 2HG1 VAL 94 2HG1 VAL 94 2.930 -3.964 -10.307 649 3HG1 VAL 94 3HG1 VAL 94 2.737 -2.664 -9.133 650 1HG2 VAL 94 1HG2 VAL 94 2.247 -4.743 -6.203 651 2HG2 VAL 94 2HG2 VAL 94 0.916 -4.064 -7.139 652 3HG2 VAL 94 3HG2 VAL 94 2.354 -3.096 -6.824 653 H LEU 95 H LEU 95 1.487 -6.906 -6.426 654 HA LEU 95 HA LEU 95 4.171 -7.743 -6.229 655 1HB LEU 95 2HB LEU 95 3.902 -7.854 -3.772 656 2HB LEU 95 1HB LEU 95 3.699 -6.294 -4.535 657 HG LEU 95 HG LEU 95 1.189 -6.867 -4.434 658 1HD1 LEU 95 1HD1 LEU 95 2.167 -8.624 -2.220 659 2HD1 LEU 95 2HD1 LEU 95 1.347 -9.126 -3.703 660 3HD1 LEU 95 3HD1 LEU 95 0.498 -8.129 -2.524 661 1HD2 LEU 95 1HD2 LEU 95 1.044 -5.792 -2.267 662 2HD2 LEU 95 2HD2 LEU 95 2.210 -5.018 -3.342 663 3HD2 LEU 95 3HD2 LEU 95 2.771 -6.062 -2.035 664 H SER 96 H SER 96 1.190 -9.340 -6.058 665 HA SER 96 HA SER 96 2.766 -11.500 -5.195 666 1HB SER 96 2HB SER 96 -0.199 -11.417 -5.812 667 2HB SER 96 1HB SER 96 0.640 -12.815 -5.133 668 HG SER 96 HG SER 96 -0.409 -11.426 -3.631 669 H GLY 97 H GLY 97 1.526 -10.065 -8.182 670 1HA GLY 97 2HA GLY 97 2.223 -12.551 -9.539 671 2HA GLY 97 1HA GLY 97 0.929 -11.490 -10.049 672 H LYS 98 H LYS 98 3.141 -9.120 -9.320 673 HA LYS 98 HA LYS 98 3.992 -9.440 -12.109 674 1HB LYS 98 2HB LYS 98 3.674 -6.904 -10.533 675 2HB LYS 98 1HB LYS 98 4.363 -6.984 -12.149 676 1HG LYS 98 2HG LYS 98 2.270 -7.901 -12.993 677 2HG LYS 98 1HG LYS 98 1.581 -7.800 -11.371 678 1HD LYS 98 2HD LYS 98 1.946 -5.395 -11.377 679 2HD LYS 98 1HD LYS 98 2.612 -5.498 -13.002 680 1HE LYS 98 2HE LYS 98 -0.210 -6.210 -12.183 681 2HE LYS 98 1HE LYS 98 0.282 -4.791 -13.103 682 1HZ LYS 98 1HZ LYS 98 0.380 -7.629 -13.976 683 2HZ LYS 98 2HZ LYS 98 1.177 -6.390 -14.783 684 3HZ LYS 98 3HZ LYS 98 -0.513 -6.360 -14.664 685 H ALA 99 H ALA 99 5.088 -9.377 -9.071 686 HA ALA 99 HA ALA 99 7.811 -9.046 -10.032 687 1HB ALA 99 1HB ALA 99 8.292 -7.748 -8.040 688 2HB ALA 99 2HB ALA 99 6.625 -8.010 -7.493 689 3HB ALA 99 3HB ALA 99 6.909 -7.052 -8.918 Start of MODEL 6 1 H GLY 15 H GLY 15 3.015 -11.080 -0.991 2 1HA GLY 15 1HA GLY 15 3.929 -13.467 -2.508 3 2HA GLY 15 2HA GLY 15 3.359 -11.965 -3.241 4 H LEU 16 H LEU 16 4.402 -10.000 -1.989 5 HA LEU 16 HA LEU 16 7.158 -10.105 -2.390 6 1HB LEU 16 2HB LEU 16 6.940 -7.762 -1.458 7 2HB LEU 16 1HB LEU 16 6.212 -8.138 -2.995 8 HG LEU 16 HG LEU 16 3.990 -8.066 -2.027 9 1HD1 LEU 16 1HD1 LEU 16 5.339 -7.501 0.615 10 2HD1 LEU 16 2HD1 LEU 16 4.488 -8.990 0.205 11 3HD1 LEU 16 3HD1 LEU 16 3.604 -7.466 0.299 12 1HD2 LEU 16 1HD2 LEU 16 3.969 -5.744 -1.351 13 2HD2 LEU 16 2HD2 LEU 16 5.020 -6.022 -2.738 14 3HD2 LEU 16 3HD2 LEU 16 5.717 -5.793 -1.133 15 H ARG 17 H ARG 17 8.127 -8.486 -0.477 16 HA ARG 17 HA ARG 17 7.987 -10.176 1.912 17 1HB ARG 17 2HB ARG 17 10.276 -8.554 0.869 18 2HB ARG 17 1HB ARG 17 10.281 -9.427 2.393 19 1HG ARG 17 2HG ARG 17 9.911 -11.517 1.097 20 2HG ARG 17 1HG ARG 17 10.138 -10.569 -0.377 21 1HD ARG 17 2HD ARG 17 12.364 -9.903 0.416 22 2HD ARG 17 1HD ARG 17 12.137 -10.886 1.863 23 HE ARG 17 HE ARG 17 12.723 -11.776 -0.816 24 1HH1 ARG 17 1HH1 ARG 17 11.648 -12.762 2.439 25 2HH1 ARG 17 2HH1 ARG 17 12.081 -14.400 2.220 26 1HH2 ARG 17 1HH2 ARG 17 13.294 -14.025 -1.071 27 2HH2 ARG 17 2HH2 ARG 17 13.090 -15.122 0.211 28 H GLU 18 H GLU 18 7.445 -7.020 0.668 29 HA GLU 18 HA GLU 18 6.777 -6.173 3.422 30 1HB GLU 18 2HB GLU 18 9.220 -5.771 3.079 31 2HB GLU 18 1HB GLU 18 8.806 -4.654 1.809 32 1HG GLU 18 2HG GLU 18 9.326 -3.453 3.790 33 2HG GLU 18 1HG GLU 18 7.618 -3.244 3.430 34 H ILE 19 H ILE 19 4.800 -4.807 3.310 35 HA ILE 19 HA ILE 19 5.017 -2.689 1.331 36 HB ILE 19 HB ILE 19 2.585 -4.277 2.014 37 1HG1 ILE 19 2HG1 ILE 19 3.751 -4.598 -0.127 38 2HG1 ILE 19 1HG1 ILE 19 2.078 -4.097 -0.334 39 1HG2 ILE 19 1HG2 ILE 19 1.861 -2.091 2.762 40 2HG2 ILE 19 2HG2 ILE 19 1.032 -2.507 1.260 41 3HG2 ILE 19 3HG2 ILE 19 2.379 -1.366 1.237 42 1HD1 ILE 19 1HD1 ILE 19 4.495 -2.328 -0.582 43 2HD1 ILE 19 2HD1 ILE 19 2.817 -1.827 -0.804 44 3HD1 ILE 19 3HD1 ILE 19 3.546 -2.991 -1.911 45 H ARG 20 H ARG 20 5.221 -0.915 2.099 46 HA ARG 20 HA ARG 20 4.206 -0.299 4.780 47 1HB ARG 20 2HB ARG 20 6.811 0.691 3.601 48 2HB ARG 20 1HB ARG 20 6.140 1.195 5.142 49 1HG ARG 20 2HG ARG 20 6.353 -1.081 5.985 50 2HG ARG 20 1HG ARG 20 7.018 -1.594 4.432 51 1HD ARG 20 2HD ARG 20 8.844 0.071 4.757 52 2HD ARG 20 1HD ARG 20 8.216 0.366 6.379 53 HE ARG 20 HE ARG 20 8.546 -2.327 6.268 54 1HH1 ARG 20 1HH1 ARG 20 10.764 0.416 5.739 55 2HH1 ARG 20 2HH1 ARG 20 12.135 -0.518 6.177 56 1HH2 ARG 20 1HH2 ARG 20 10.434 -3.505 6.793 57 2HH2 ARG 20 2HH2 ARG 20 11.967 -2.729 6.813 58 H ILE 21 H ILE 21 2.569 0.890 4.407 59 HA ILE 21 HA ILE 21 2.284 2.624 2.113 60 HB ILE 21 HB ILE 21 0.600 3.385 4.181 61 1HG1 ILE 21 2HG1 ILE 21 0.312 0.417 3.714 62 2HG1 ILE 21 1HG1 ILE 21 1.136 1.104 5.111 63 1HG2 ILE 21 1HG2 ILE 21 0.071 1.817 1.637 64 2HG2 ILE 21 2HG2 ILE 21 0.037 3.573 1.829 65 3HG2 ILE 21 3HG2 ILE 21 -1.193 2.575 2.609 66 1HD1 ILE 21 1HD1 ILE 21 -1.140 0.505 5.658 67 2HD1 ILE 21 2HD1 ILE 21 -1.728 1.545 4.351 68 3HD1 ILE 21 3HD1 ILE 21 -0.902 2.255 5.735 69 H HIS 22 H HIS 22 2.897 4.623 2.130 70 HA HIS 22 HA HIS 22 3.600 5.875 4.676 71 1HB HIS 22 2HB HIS 22 4.048 6.843 1.808 72 2HB HIS 22 1HB HIS 22 4.537 7.737 3.245 73 HD1 HIS 22 1HD HIS 22 6.429 6.232 0.820 74 HD2 HIS 22 2HD HIS 22 5.978 5.270 4.865 75 HE1 HIS 22 1HE HIS 22 8.400 4.891 1.426 76 HE2 HIS 22 2HE HIS 22 8.296 4.692 3.896 77 H LEU 23 H LEU 23 2.066 7.021 5.643 78 HA LEU 23 HA LEU 23 -0.262 7.711 4.027 79 1HB LEU 23 2HB LEU 23 -0.563 5.922 5.696 80 2HB LEU 23 1HB LEU 23 -0.100 7.029 6.964 81 HG LEU 23 HG LEU 23 -2.135 8.330 6.616 82 1HD1 LEU 23 1HD1 LEU 23 -2.778 6.335 4.457 83 2HD1 LEU 23 2HD1 LEU 23 -2.367 8.032 4.215 84 3HD1 LEU 23 3HD1 LEU 23 -3.854 7.596 5.059 85 1HD2 LEU 23 1HD2 LEU 23 -2.669 5.371 6.805 86 2HD2 LEU 23 2HD2 LEU 23 -3.761 6.653 7.328 87 3HD2 LEU 23 3HD2 LEU 23 -2.212 6.430 8.139 88 H CYS 24 H CYS 24 -0.666 8.952 7.015 89 HA CYS 24 HA CYS 24 -0.791 11.004 7.939 90 1HB CYS 24 2HB CYS 24 0.996 11.966 5.693 91 2HB CYS 24 1HB CYS 24 0.404 12.976 6.994 92 H GLN 25 H GLN 25 -1.876 13.014 7.584 93 HA GLN 25 HA GLN 25 -3.123 13.353 4.959 94 1HB GLN 25 2HB GLN 25 -4.499 13.753 7.643 95 2HB GLN 25 1HB GLN 25 -5.173 14.249 6.104 96 1HG GLN 25 2HG GLN 25 -4.601 11.421 6.969 97 2HG GLN 25 1HG GLN 25 -6.181 12.195 6.919 98 1HE2 GLN 25 1HE2 GLN 25 -5.314 9.810 5.603 99 2HE2 GLN 25 2HE2 GLN 25 -5.496 10.061 3.897 100 H ARG 26 H ARG 26 -1.420 14.697 4.604 101 HA ARG 26 HA ARG 26 -1.610 17.284 5.853 102 1HB ARG 26 2HB ARG 26 0.894 17.396 6.197 103 2HB ARG 26 1HB ARG 26 0.008 16.346 7.285 104 1HG ARG 26 2HG ARG 26 1.718 14.950 6.829 105 2HG ARG 26 1HG ARG 26 0.713 14.546 5.440 106 1HD ARG 26 2HD ARG 26 2.915 14.863 4.643 107 2HD ARG 26 1HD ARG 26 1.992 16.282 4.156 108 HE ARG 26 HE ARG 26 3.268 16.696 6.653 109 1HH1 ARG 26 1HH1 ARG 26 3.830 16.760 3.148 110 2HH1 ARG 26 2HH1 ARG 26 5.291 17.620 3.253 111 1HH2 ARG 26 1HH2 ARG 26 5.299 17.921 6.787 112 2HH2 ARG 26 2HH2 ARG 26 6.091 18.360 5.340 113 H SER 27 H SER 27 0.067 15.435 3.173 114 HA SER 27 HA SER 27 -0.059 17.964 1.745 115 1HB SER 27 2HB SER 27 1.412 15.367 1.195 116 2HB SER 27 1HB SER 27 1.537 16.834 0.216 117 HG SER 27 HG SER 27 2.048 17.812 2.410 118 HA PRO 28 HA PRO 28 -2.945 16.942 -1.721 119 1HB PRO 28 2HB PRO 28 -0.876 14.872 -2.539 120 2HB PRO 28 1HB PRO 28 -2.059 15.721 -3.575 121 1HG PRO 28 2HG PRO 28 0.425 16.621 -3.236 122 2HG PRO 28 1HG PRO 28 -0.949 17.737 -3.360 123 1HD PRO 28 2HD PRO 28 0.761 17.187 -1.047 124 2HD PRO 28 1HD PRO 28 -0.454 18.466 -1.252 125 H GLY 29 H GLY 29 -4.531 16.284 -0.497 126 1HA GLY 29 2HA GLY 29 -4.839 14.238 1.252 127 2HA GLY 29 1HA GLY 29 -6.169 14.932 0.349 128 H SER 30 H SER 30 -5.248 12.150 1.292 129 HA SER 30 HA SER 30 -5.658 10.910 -1.300 130 1HB SER 30 2HB SER 30 -3.925 9.706 0.815 131 2HB SER 30 1HB SER 30 -4.186 9.298 -0.895 132 HG SER 30 HG SER 30 -3.418 11.830 -0.859 133 H GLN 31 H GLN 31 -7.388 10.098 -1.306 134 HA GLN 31 HA GLN 31 -8.812 9.357 1.156 135 1HB GLN 31 2HB GLN 31 -10.892 9.637 -0.100 136 2HB GLN 31 1HB GLN 31 -9.908 11.087 -0.217 137 1HG GLN 31 2HG GLN 31 -9.124 10.277 -2.437 138 2HG GLN 31 1HG GLN 31 -10.293 8.968 -2.309 139 1HE2 GLN 31 1HE2 GLN 31 -10.098 11.015 -4.276 140 2HE2 GLN 31 2HE2 GLN 31 -11.588 11.882 -4.253 141 H GLY 32 H GLY 32 -7.765 8.251 -1.948 142 1HA GLY 32 2HA GLY 32 -9.080 5.767 -1.858 143 2HA GLY 32 1HA GLY 32 -7.675 6.180 -2.843 144 H VAL 33 H VAL 33 -6.072 7.062 -0.694 145 HA VAL 33 HA VAL 33 -5.227 4.437 0.101 146 HB VAL 33 HB VAL 33 -3.486 6.270 -0.265 147 1HG1 VAL 33 1HG1 VAL 33 -4.299 7.161 2.474 148 2HG1 VAL 33 2HG1 VAL 33 -4.490 8.069 0.973 149 3HG1 VAL 33 3HG1 VAL 33 -2.875 7.702 1.585 150 1HG2 VAL 33 1HG2 VAL 33 -3.351 4.755 2.322 151 2HG2 VAL 33 2HG2 VAL 33 -1.983 5.504 1.497 152 3HG2 VAL 33 3HG2 VAL 33 -2.860 4.178 0.727 153 H ARG 34 H ARG 34 -6.482 7.230 1.944 154 HA ARG 34 HA ARG 34 -6.937 6.237 4.414 155 1HB ARG 34 2HB ARG 34 -7.752 8.417 3.400 156 2HB ARG 34 1HB ARG 34 -9.094 7.508 2.817 157 1HG ARG 34 2HG ARG 34 -9.749 6.799 5.038 158 2HG ARG 34 1HG ARG 34 -8.426 7.738 5.732 159 1HD ARG 34 2HD ARG 34 -9.389 9.771 4.900 160 2HD ARG 34 1HD ARG 34 -10.654 8.864 4.068 161 HE ARG 34 HE ARG 34 -11.008 8.045 6.533 162 1HH1 ARG 34 1HH1 ARG 34 -10.502 11.315 5.292 163 2HH1 ARG 34 2HH1 ARG 34 -11.461 12.094 6.480 164 1HH2 ARG 34 1HH2 ARG 34 -12.390 9.127 8.179 165 2HH2 ARG 34 2HH2 ARG 34 -12.560 10.813 8.127 166 H ASP 35 H ASP 35 -9.122 5.833 1.711 167 HA ASP 35 HA ASP 35 -10.969 4.090 2.907 168 1HB ASP 35 2HB ASP 35 -10.148 4.513 0.072 169 2HB ASP 35 1HB ASP 35 -11.253 3.242 0.418 170 H PHE 36 H PHE 36 -8.125 3.278 1.033 171 HA PHE 36 HA PHE 36 -8.184 0.556 1.433 172 1HB PHE 36 2HB PHE 36 -6.481 1.217 -0.016 173 2HB PHE 36 1HB PHE 36 -6.100 2.629 0.904 174 HD1 PHE 36 1HD PHE 36 -4.768 -0.148 -0.449 175 HD2 PHE 36 2HD PHE 36 -4.944 1.664 3.394 176 HE1 PHE 36 1HE PHE 36 -2.657 -1.228 0.146 177 HE2 PHE 36 2HE PHE 36 -2.838 0.569 3.986 178 HZ PHE 36 HZ PHE 36 -1.685 -0.874 2.371 179 H ILE 37 H ILE 37 -6.743 2.935 3.363 180 HA ILE 37 HA ILE 37 -5.650 1.477 5.507 181 HB ILE 37 HB ILE 37 -7.013 4.075 5.916 182 1HG1 ILE 37 2HG1 ILE 37 -5.587 4.764 4.091 183 2HG1 ILE 37 1HG1 ILE 37 -4.838 5.274 5.561 184 1HG2 ILE 37 1HG2 ILE 37 -4.637 2.900 7.342 185 2HG2 ILE 37 2HG2 ILE 37 -6.263 3.147 7.980 186 3HG2 ILE 37 3HG2 ILE 37 -5.235 4.535 7.626 187 1HD1 ILE 37 1HD1 ILE 37 -3.217 3.547 5.500 188 2HD1 ILE 37 2HD1 ILE 37 -3.313 4.405 3.940 189 3HD1 ILE 37 3HD1 ILE 37 -4.032 2.807 4.105 190 H GLU 38 H GLU 38 -8.991 2.408 5.005 191 HA GLU 38 HA GLU 38 -9.594 1.613 7.764 192 1HB GLU 38 2HB GLU 38 -11.677 2.987 7.666 193 2HB GLU 38 1HB GLU 38 -10.192 3.915 7.586 194 1HG GLU 38 2HG GLU 38 -10.485 4.286 5.233 195 2HG GLU 38 1HG GLU 38 -11.857 3.183 5.188 196 H LYS 39 H LYS 39 -11.170 1.704 4.622 197 HA LYS 39 HA LYS 39 -13.207 -0.138 5.292 198 1HB LYS 39 2HB LYS 39 -13.504 1.492 3.491 199 2HB LYS 39 1HB LYS 39 -12.139 0.790 2.624 200 1HG LYS 39 2HG LYS 39 -13.476 -1.394 2.638 201 2HG LYS 39 1HG LYS 39 -14.850 -0.405 3.108 202 1HD LYS 39 2HD LYS 39 -14.684 0.870 1.056 203 2HD LYS 39 1HD LYS 39 -13.202 0.006 0.609 204 1HE LYS 39 2HE LYS 39 -14.502 -2.118 0.682 205 2HE LYS 39 1HE LYS 39 -15.958 -1.167 0.939 206 1HZ LYS 39 1HZ LYS 39 -15.610 -0.140 -1.243 207 2HZ LYS 39 2HZ LYS 39 -15.727 -1.826 -1.311 208 3HZ LYS 39 3HZ LYS 39 -14.224 -1.104 -1.495 209 H ARG 40 H ARG 40 -10.030 -0.292 3.725 210 HA ARG 40 HA ARG 40 -10.736 -2.981 2.984 211 1HB ARG 40 2HB ARG 40 -10.154 -1.377 1.221 212 2HB ARG 40 1HB ARG 40 -8.566 -1.192 1.946 213 1HG ARG 40 2HG ARG 40 -8.328 -2.664 0.129 214 2HG ARG 40 1HG ARG 40 -8.237 -3.603 1.628 215 1HD ARG 40 2HD ARG 40 -10.496 -4.386 1.330 216 2HD ARG 40 1HD ARG 40 -10.712 -3.341 -0.077 217 HE ARG 40 HE ARG 40 -8.562 -5.278 -0.210 218 1HH1 ARG 40 1HH1 ARG 40 -11.873 -4.465 -1.189 219 2HH1 ARG 40 2HH1 ARG 40 -11.901 -5.590 -2.446 220 1HH2 ARG 40 1HH2 ARG 40 -8.617 -6.796 -1.942 221 2HH2 ARG 40 2HH2 ARG 40 -10.038 -6.999 -2.869 222 H TYR 41 H TYR 41 -8.642 -1.144 5.080 223 HA TYR 41 HA TYR 41 -6.290 -2.420 5.286 224 1HB TYR 41 2HB TYR 41 -7.139 -0.718 6.980 225 2HB TYR 41 1HB TYR 41 -7.927 -2.042 7.745 226 HD1 TYR 41 1HD TYR 41 -4.437 -1.135 6.730 227 HD2 TYR 41 2HD TYR 41 -6.962 -3.226 9.436 228 HE1 TYR 41 1HE TYR 41 -2.474 -1.789 8.061 229 HE2 TYR 41 2HE TYR 41 -5.044 -3.888 10.761 230 HH TYR 41 HH TYR 41 -1.889 -2.543 10.261 231 H VAL 42 H VAL 42 -8.677 -3.761 7.427 232 HA VAL 42 HA VAL 42 -7.134 -5.984 7.999 233 HB VAL 42 HB VAL 42 -8.740 -5.310 9.536 234 1HG1 VAL 42 1HG1 VAL 42 -10.827 -5.549 7.394 235 2HG1 VAL 42 2HG1 VAL 42 -10.070 -4.087 8.040 236 3HG1 VAL 42 3HG1 VAL 42 -11.108 -5.068 9.090 237 1HG2 VAL 42 1HG2 VAL 42 -9.832 -7.822 8.262 238 2HG2 VAL 42 2HG2 VAL 42 -10.173 -7.271 9.906 239 3HG2 VAL 42 3HG2 VAL 42 -8.529 -7.728 9.447 240 H GLU 43 H GLU 43 -9.400 -5.461 5.435 241 HA GLU 43 HA GLU 43 -9.396 -8.226 4.486 242 1HB GLU 43 2HB GLU 43 -11.391 -6.796 4.242 243 2HB GLU 43 1HB GLU 43 -10.450 -5.630 3.329 244 1HG GLU 43 2HG GLU 43 -10.225 -7.131 1.504 245 2HG GLU 43 1HG GLU 43 -10.894 -8.466 2.444 246 H LEU 44 H LEU 44 -7.431 -5.284 3.880 247 HA LEU 44 HA LEU 44 -6.272 -6.676 1.564 248 1HB LEU 44 2HB LEU 44 -5.004 -4.718 1.183 249 2HB LEU 44 1HB LEU 44 -6.620 -4.193 1.565 250 HG LEU 44 HG LEU 44 -5.427 -3.951 3.997 251 1HD1 LEU 44 1HD1 LEU 44 -3.254 -2.945 3.628 252 2HD1 LEU 44 2HD1 LEU 44 -3.346 -3.416 1.922 253 3HD1 LEU 44 3HD1 LEU 44 -3.291 -4.646 3.167 254 1HD2 LEU 44 1HD2 LEU 44 -6.767 -2.294 2.856 255 2HD2 LEU 44 2HD2 LEU 44 -5.422 -1.956 1.767 256 3HD2 LEU 44 3HD2 LEU 44 -5.275 -1.603 3.489 257 H LYS 45 H LYS 45 -5.877 -6.478 4.795 258 HA LYS 45 HA LYS 45 -3.251 -7.611 4.899 259 1HB LYS 45 2HB LYS 45 -4.305 -6.304 6.722 260 2HB LYS 45 1HB LYS 45 -5.508 -7.565 6.903 261 1HG LYS 45 2HG LYS 45 -3.603 -9.128 7.433 262 2HG LYS 45 1HG LYS 45 -2.581 -7.688 7.525 263 1HD LYS 45 2HD LYS 45 -3.343 -8.194 9.749 264 2HD LYS 45 1HD LYS 45 -4.195 -6.751 9.188 265 1HE LYS 45 2HE LYS 45 -6.136 -8.098 8.608 266 2HE LYS 45 1HE LYS 45 -5.293 -9.555 9.128 267 1HZ LYS 45 1HZ LYS 45 -5.135 -8.533 11.353 268 2HZ LYS 45 2HZ LYS 45 -6.704 -8.894 10.856 269 3HZ LYS 45 3HZ LYS 45 -6.168 -7.282 10.835 270 H LYS 46 H LYS 46 -6.620 -8.724 4.979 271 HA LYS 46 HA LYS 46 -5.869 -11.472 5.412 272 1HB LYS 46 2HB LYS 46 -8.105 -11.933 5.741 273 2HB LYS 46 1HB LYS 46 -8.037 -10.243 6.202 274 1HG LYS 46 2HG LYS 46 -8.828 -9.804 3.699 275 2HG LYS 46 1HG LYS 46 -9.071 -11.423 3.661 276 1HD LYS 46 2HD LYS 46 -10.576 -11.531 5.561 277 2HD LYS 46 1HD LYS 46 -10.483 -9.774 5.713 278 1HE LYS 46 2HE LYS 46 -11.433 -9.485 3.534 279 2HE LYS 46 1HE LYS 46 -11.409 -11.227 3.242 280 1HZ LYS 46 1HZ LYS 46 -12.990 -11.490 5.057 281 2HZ LYS 46 2HZ LYS 46 -13.604 -10.449 3.858 282 3HZ LYS 46 3HZ LYS 46 -13.010 -9.804 5.291 283 H ALA 47 H ALA 47 -6.912 -9.495 2.656 284 HA ALA 47 HA ALA 47 -7.639 -11.663 1.205 285 1HB ALA 47 1HB ALA 47 -7.882 -10.143 -0.751 286 2HB ALA 47 2HB ALA 47 -7.064 -8.902 0.189 287 3HB ALA 47 3HB ALA 47 -8.634 -9.516 0.730 288 H ASN 48 H ASN 48 -4.747 -9.945 1.771 289 HA ASN 48 HA ASN 48 -3.211 -11.170 -0.332 290 1HB ASN 48 2HB ASN 48 -2.819 -8.439 1.011 291 2HB ASN 48 1HB ASN 48 -1.851 -9.103 -0.274 292 1HD2 ASN 48 1HD2 ASN 48 -2.371 -6.808 -1.271 293 2HD2 ASN 48 2HD2 ASN 48 -3.819 -6.724 -2.181 294 HA PRO 49 HA PRO 49 -2.785 -12.473 4.138 295 1HB PRO 49 2HB PRO 49 -1.921 -14.986 3.604 296 2HB PRO 49 1HB PRO 49 -3.629 -14.526 3.541 297 1HG PRO 49 2HG PRO 49 -1.631 -14.642 1.315 298 2HG PRO 49 1HG PRO 49 -3.223 -15.390 1.346 299 1HD PRO 49 2HD PRO 49 -2.868 -13.081 0.104 300 2HD PRO 49 1HD PRO 49 -4.305 -13.208 1.131 301 H ASP 50 H ASP 50 -0.630 -13.297 1.749 302 HA ASP 50 HA ASP 50 1.698 -13.207 3.539 303 1HB ASP 50 2HB ASP 50 1.455 -14.993 1.793 304 2HB ASP 50 1HB ASP 50 1.642 -13.757 0.560 305 H LEU 51 H LEU 51 0.176 -10.752 2.932 306 HA LEU 51 HA LEU 51 2.280 -9.249 1.621 307 1HB LEU 51 2HB LEU 51 -0.037 -9.291 0.677 308 2HB LEU 51 1HB LEU 51 -0.672 -8.424 2.022 309 HG LEU 51 HG LEU 51 0.945 -7.556 -0.313 310 1HD1 LEU 51 1HD1 LEU 51 -1.226 -6.213 1.201 311 2HD1 LEU 51 2HD1 LEU 51 -1.350 -7.094 -0.324 312 3HD1 LEU 51 3HD1 LEU 51 -0.436 -5.588 -0.246 313 1HD2 LEU 51 1HD2 LEU 51 1.132 -6.094 2.289 314 2HD2 LEU 51 2HD2 LEU 51 1.681 -5.494 0.722 315 3HD2 LEU 51 3HD2 LEU 51 2.445 -6.909 1.447 316 HA PRO 52 HA PRO 52 2.970 -7.688 6.034 317 1HB PRO 52 2HB PRO 52 4.702 -6.045 4.359 318 2HB PRO 52 1HB PRO 52 4.970 -6.814 5.925 319 1HG PRO 52 2HG PRO 52 6.012 -7.754 3.614 320 2HG PRO 52 1HG PRO 52 5.541 -8.857 4.900 321 1HD PRO 52 2HD PRO 52 4.216 -8.250 2.312 322 2HD PRO 52 1HD PRO 52 4.118 -9.722 3.297 323 H ILE 53 H ILE 53 1.738 -6.195 6.705 324 HA ILE 53 HA ILE 53 0.993 -3.945 4.909 325 HB ILE 53 HB ILE 53 -0.711 -4.932 7.209 326 1HG1 ILE 53 2HG1 ILE 53 -0.525 -6.792 5.531 327 2HG1 ILE 53 1HG1 ILE 53 -2.157 -6.181 5.713 328 1HG2 ILE 53 1HG2 ILE 53 -1.151 -2.683 6.519 329 2HG2 ILE 53 2HG2 ILE 53 -2.511 -3.715 6.069 330 3HG2 ILE 53 3HG2 ILE 53 -1.352 -3.195 4.844 331 1HD1 ILE 53 1HD1 ILE 53 -1.689 -6.670 3.397 332 2HD1 ILE 53 2HD1 ILE 53 -0.284 -5.601 3.402 333 3HD1 ILE 53 3HD1 ILE 53 -1.916 -4.953 3.601 334 H LEU 54 H LEU 54 2.536 -2.467 5.720 335 HA LEU 54 HA LEU 54 2.341 -1.897 8.606 336 1HB LEU 54 2HB LEU 54 4.705 -1.425 6.793 337 2HB LEU 54 1HB LEU 54 4.640 -1.108 8.511 338 HG LEU 54 HG LEU 54 4.643 -3.802 7.156 339 1HD1 LEU 54 1HD1 LEU 54 6.629 -2.454 8.966 340 2HD1 LEU 54 2HD1 LEU 54 6.799 -2.735 7.231 341 3HD1 LEU 54 3HD1 LEU 54 6.750 -4.100 8.344 342 1HD2 LEU 54 1HD2 LEU 54 4.444 -3.186 10.112 343 2HD2 LEU 54 2HD2 LEU 54 4.647 -4.787 9.388 344 3HD2 LEU 54 3HD2 LEU 54 3.168 -3.879 9.103 345 H ILE 55 H ILE 55 1.663 0.088 9.158 346 HA ILE 55 HA ILE 55 1.207 2.052 7.062 347 HB ILE 55 HB ILE 55 0.298 2.068 9.970 348 1HG1 ILE 55 2HG1 ILE 55 -1.242 1.429 7.435 349 2HG1 ILE 55 1HG1 ILE 55 -0.796 0.274 8.689 350 1HG2 ILE 55 1HG2 ILE 55 0.519 4.324 9.068 351 2HG2 ILE 55 2HG2 ILE 55 -1.183 3.911 9.282 352 3HG2 ILE 55 3HG2 ILE 55 -0.464 3.880 7.672 353 1HD1 ILE 55 1HD1 ILE 55 -2.671 2.594 8.944 354 2HD1 ILE 55 2HD1 ILE 55 -2.266 1.469 10.248 355 3HD1 ILE 55 3HD1 ILE 55 -3.125 0.898 8.808 356 H ARG 56 H ARG 56 2.622 3.468 6.738 357 HA ARG 56 HA ARG 56 4.489 4.307 8.845 358 1HB ARG 56 2HB ARG 56 4.922 4.161 5.869 359 2HB ARG 56 1HB ARG 56 6.081 4.742 7.044 360 1HG ARG 56 2HG ARG 56 4.992 1.936 7.093 361 2HG ARG 56 1HG ARG 56 6.502 2.396 6.303 362 1HD ARG 56 2HD ARG 56 5.869 2.835 9.221 363 2HD ARG 56 1HD ARG 56 6.839 1.501 8.588 364 HE ARG 56 HE ARG 56 7.974 3.748 7.562 365 1HH1 ARG 56 1HH1 ARG 56 7.311 2.660 10.899 366 2HH1 ARG 56 2HH1 ARG 56 8.659 3.431 11.556 367 1HH2 ARG 56 1HH2 ARG 56 9.811 4.855 8.490 368 2HH2 ARG 56 2HH2 ARG 56 10.142 4.688 10.155 369 H GLU 57 H GLU 57 5.493 6.455 8.125 370 HA GLU 57 HA GLU 57 3.243 8.287 7.852 371 1HB GLU 57 2HB GLU 57 6.054 8.754 8.862 372 2HB GLU 57 1HB GLU 57 4.870 10.027 8.656 373 1HG GLU 57 2HG GLU 57 5.017 9.408 10.976 374 2HG GLU 57 1HG GLU 57 3.443 8.938 10.345 375 H CYS 58 H CYS 58 3.714 10.321 6.811 376 HA CYS 58 HA CYS 58 4.357 10.101 4.075 377 1HB CYS 58 2HB CYS 58 3.984 12.617 4.317 378 2HB CYS 58 1HB CYS 58 2.647 11.557 4.784 379 H SER 59 H SER 59 5.933 11.809 3.074 380 HA SER 59 HA SER 59 8.130 12.568 4.744 381 1HB SER 59 2HB SER 59 9.767 11.439 3.073 382 2HB SER 59 1HB SER 59 9.016 10.464 4.335 383 HG SER 59 HG SER 59 8.491 9.289 2.788 384 H ASP 60 H ASP 60 7.194 12.313 1.289 385 HA ASP 60 HA ASP 60 8.242 15.012 0.998 386 1HB ASP 60 2HB ASP 60 8.184 14.341 -1.568 387 2HB ASP 60 1HB ASP 60 9.537 13.860 -0.553 388 H VAL 61 H VAL 61 5.912 13.125 -0.889 389 HA VAL 61 HA VAL 61 4.085 15.340 -0.428 390 HB VAL 61 HB VAL 61 3.689 12.910 -2.249 391 1HG1 VAL 61 1HG1 VAL 61 1.533 13.642 -1.322 392 2HG1 VAL 61 2HG1 VAL 61 1.641 14.021 -3.042 393 3HG1 VAL 61 3HG1 VAL 61 1.867 15.294 -1.842 394 1HG2 VAL 61 1HG2 VAL 61 5.256 14.547 -3.165 395 2HG2 VAL 61 2HG2 VAL 61 4.051 15.821 -2.881 396 3HG2 VAL 61 3HG2 VAL 61 3.718 14.553 -4.050 397 H GLN 62 H GLN 62 3.318 11.876 -0.543 398 HA GLN 62 HA GLN 62 2.618 11.920 2.123 399 1HB GLN 62 2HB GLN 62 0.927 13.470 1.522 400 2HB GLN 62 1HB GLN 62 0.281 12.382 0.305 401 1HG GLN 62 2HG GLN 62 -0.560 10.913 1.928 402 2HG GLN 62 1HG GLN 62 0.351 11.703 3.218 403 1HE2 GLN 62 1HE2 GLN 62 -2.387 11.917 1.124 404 2HE2 GLN 62 2HE2 GLN 62 -3.113 13.242 1.974 405 HA PRO 63 HA PRO 63 0.600 7.851 0.949 406 1HB PRO 63 2HB PRO 63 -0.900 7.484 -1.183 407 2HB PRO 63 1HB PRO 63 -1.457 8.547 0.100 408 1HG PRO 63 2HG PRO 63 -0.437 9.202 -2.600 409 2HG PRO 63 1HG PRO 63 -1.518 10.131 -1.555 410 1HD PRO 63 2HD PRO 63 1.298 10.496 -1.938 411 2HD PRO 63 1HD PRO 63 0.215 11.402 -0.862 412 H LYS 64 H LYS 64 2.957 7.445 0.413 413 HA LYS 64 HA LYS 64 3.207 6.327 -2.332 414 1HB LYS 64 2HB LYS 64 5.418 6.672 -0.279 415 2HB LYS 64 1HB LYS 64 5.609 6.060 -1.904 416 1HG LYS 64 2HG LYS 64 6.444 8.178 -1.846 417 2HG LYS 64 1HG LYS 64 4.901 8.363 -2.725 418 1HD LYS 64 2HD LYS 64 4.858 10.218 -1.162 419 2HD LYS 64 1HD LYS 64 4.059 8.864 -0.392 420 1HE LYS 64 2HE LYS 64 5.729 10.025 1.073 421 2HE LYS 64 1HE LYS 64 5.972 8.286 0.884 422 1HZ LYS 64 1HZ LYS 64 7.445 10.393 -0.639 423 2HZ LYS 64 2HZ LYS 64 7.729 8.767 -0.784 424 3HZ LYS 64 3HZ LYS 64 8.082 9.554 0.663 425 H LEU 65 H LEU 65 3.806 4.344 -2.732 426 HA LEU 65 HA LEU 65 2.951 2.414 -0.726 427 1HB LEU 65 2HB LEU 65 2.201 2.734 -3.208 428 2HB LEU 65 1HB LEU 65 3.708 2.034 -3.531 429 HG LEU 65 HG LEU 65 3.268 -0.054 -2.511 430 1HD1 LEU 65 1HD1 LEU 65 1.966 0.695 -0.592 431 2HD1 LEU 65 2HD1 LEU 65 1.130 -0.592 -1.458 432 3HD1 LEU 65 3HD1 LEU 65 0.611 1.083 -1.651 433 1HD2 LEU 65 1HD2 LEU 65 0.926 0.835 -4.172 434 2HD2 LEU 65 2HD2 LEU 65 1.423 -0.832 -3.895 435 3HD2 LEU 65 3HD2 LEU 65 2.481 0.268 -4.786 436 H TRP 66 H TRP 66 4.899 2.068 0.501 437 HA TRP 66 HA TRP 66 7.156 1.638 -1.127 438 1HB TRP 66 2HB TRP 66 7.848 2.625 0.952 439 2HB TRP 66 1HB TRP 66 6.845 1.535 1.907 440 HD1 TRP 66 HD TRP 66 8.038 -0.610 2.863 441 HE1 TRP 66 1HE TRP 66 10.322 -1.758 2.467 442 HE3 TRP 66 3HE TRP 66 9.726 2.286 -0.911 443 HZ2 TRP 66 2HZ TRP 66 12.526 -1.441 0.734 444 HZ3 TRP 66 3HZ TRP 66 11.890 1.807 -1.896 445 HH2 TRP 66 HH TRP 66 13.225 0.054 -1.170 446 H ALA 67 H ALA 67 7.688 -0.259 -1.858 447 HA ALA 67 HA ALA 67 6.506 -2.644 -0.745 448 1HB ALA 67 1HB ALA 67 5.386 -2.095 -2.799 449 2HB ALA 67 2HB ALA 67 6.385 -3.533 -3.029 450 3HB ALA 67 3HB ALA 67 6.929 -1.972 -3.640 451 H ARG 68 H ARG 68 7.932 -4.422 -0.729 452 HA ARG 68 HA ARG 68 10.439 -4.247 -2.052 453 1HB ARG 68 2HB ARG 68 10.687 -3.437 0.430 454 2HB ARG 68 1HB ARG 68 10.347 -5.118 0.849 455 1HG ARG 68 2HG ARG 68 12.665 -5.059 0.784 456 2HG ARG 68 1HG ARG 68 12.183 -5.678 -0.814 457 1HD ARG 68 2HD ARG 68 12.313 -3.102 -1.518 458 2HD ARG 68 1HD ARG 68 13.271 -2.988 -0.083 459 HE ARG 68 HE ARG 68 14.183 -5.138 -1.643 460 1HH1 ARG 68 1HH1 ARG 68 14.509 -1.665 -1.187 461 2HH1 ARG 68 2HH1 ARG 68 15.785 -1.470 -2.310 462 1HH2 ARG 68 1HH2 ARG 68 15.935 -4.921 -3.135 463 2HH2 ARG 68 2HH2 ARG 68 16.608 -3.400 -3.478 464 H TYR 69 H TYR 69 9.884 -5.699 -3.202 465 HA TYR 69 HA TYR 69 8.091 -7.923 -2.588 466 1HB TYR 69 2HB TYR 69 9.737 -7.554 -5.097 467 2HB TYR 69 1HB TYR 69 8.273 -8.503 -4.899 468 HD1 TYR 69 1HD TYR 69 9.577 -5.483 -6.070 469 HD2 TYR 69 2HD TYR 69 6.169 -7.073 -4.105 470 HE1 TYR 69 1HE TYR 69 8.242 -3.567 -6.834 471 HE2 TYR 69 2HE TYR 69 4.857 -5.216 -4.831 472 HH TYR 69 HH TYR 69 5.927 -3.025 -7.242 473 H ALA 70 H ALA 70 8.720 -10.205 -3.266 474 HA ALA 70 HA ALA 70 11.428 -10.926 -2.348 475 1HB ALA 70 1HB ALA 70 10.538 -13.198 -2.156 476 2HB ALA 70 2HB ALA 70 9.013 -12.688 -2.882 477 3HB ALA 70 3HB ALA 70 9.474 -12.091 -1.287 478 H PHE 71 H PHE 71 9.794 -10.294 -5.107 479 HA PHE 71 HA PHE 71 11.483 -11.826 -6.822 480 1HB PHE 71 2HB PHE 71 9.371 -10.362 -7.411 481 2HB PHE 71 1HB PHE 71 10.501 -9.018 -7.418 482 HD1 PHE 71 1HD PHE 71 12.438 -9.104 -9.096 483 HD2 PHE 71 2HD PHE 71 9.105 -11.738 -9.256 484 HE1 PHE 71 1HE PHE 71 12.932 -9.579 -11.454 485 HE2 PHE 71 2HE PHE 71 9.595 -12.223 -11.612 486 HZ PHE 71 HZ PHE 71 11.512 -11.142 -12.718 487 H GLY 72 H GLY 72 11.741 -9.251 -4.649 488 1HA GLY 72 2HA GLY 72 13.529 -8.415 -3.652 489 2HA GLY 72 1HA GLY 72 14.565 -9.113 -4.869 490 H GLN 73 H GLN 73 11.839 -7.270 -5.722 491 HA GLN 73 HA GLN 73 13.438 -4.999 -6.665 492 1HB GLN 73 2HB GLN 73 10.538 -5.717 -7.186 493 2HB GLN 73 1HB GLN 73 11.412 -4.386 -7.919 494 1HG GLN 73 2HG GLN 73 12.866 -5.966 -9.066 495 2HG GLN 73 1HG GLN 73 12.012 -7.309 -8.307 496 1HE2 GLN 73 1HE2 GLN 73 9.908 -7.778 -8.974 497 2HE2 GLN 73 2HE2 GLN 73 9.272 -7.242 -10.475 498 H GLU 74 H GLU 74 12.656 -2.820 -6.117 499 HA GLU 74 HA GLU 74 11.005 -2.814 -3.716 500 1HB GLU 74 2HB GLU 74 12.147 -0.841 -2.960 501 2HB GLU 74 1HB GLU 74 13.348 -2.067 -3.312 502 1HG GLU 74 2HG GLU 74 12.604 0.185 -5.120 503 2HG GLU 74 1HG GLU 74 13.966 0.242 -4.001 504 H THR 75 H THR 75 9.919 -0.651 -3.464 505 HA THR 75 HA THR 75 9.307 0.855 -5.771 506 HB THR 75 HB THR 75 7.630 -1.371 -4.816 507 HG1 THR 75 1HG THR 75 8.834 -1.116 -6.863 508 1HG2 THR 75 1HG2 THR 75 6.375 1.196 -5.817 509 2HG2 THR 75 2HG2 THR 75 6.093 0.311 -4.289 510 3HG2 THR 75 3HG2 THR 75 5.550 -0.373 -5.807 511 H ASN 76 H ASN 76 8.609 2.764 -5.042 512 HA ASN 76 HA ASN 76 7.295 2.962 -2.489 513 1HB ASN 76 2HB ASN 76 8.851 4.956 -1.812 514 2HB ASN 76 1HB ASN 76 9.408 3.317 -1.515 515 1HD2 ASN 76 1HD2 ASN 76 11.330 2.562 -2.583 516 2HD2 ASN 76 2HD2 ASN 76 12.195 3.603 -3.628 517 H VAL 77 H VAL 77 5.466 3.629 -3.425 518 HA VAL 77 HA VAL 77 5.762 6.206 -4.809 519 HB VAL 77 HB VAL 77 6.372 5.079 -6.245 520 1HG1 VAL 77 1HG1 VAL 77 3.923 3.223 -6.178 521 2HG1 VAL 77 2HG1 VAL 77 5.584 2.763 -5.817 522 3HG1 VAL 77 3HG1 VAL 77 5.097 3.065 -7.486 523 1HG2 VAL 77 1HG2 VAL 77 4.825 5.270 -8.341 524 2HG2 VAL 77 2HG2 VAL 77 5.049 6.694 -7.327 525 3HG2 VAL 77 3HG2 VAL 77 3.584 5.725 -7.171 526 HA PRO 78 HA PRO 78 1.945 7.956 -3.589 527 1HB PRO 78 2HB PRO 78 2.364 9.130 -6.293 528 2HB PRO 78 1HB PRO 78 1.976 9.934 -4.764 529 1HG PRO 78 2HG PRO 78 4.442 10.022 -5.733 530 2HG PRO 78 1HG PRO 78 4.155 9.828 -3.995 531 1HD PRO 78 2HD PRO 78 4.992 7.772 -6.002 532 2HD PRO 78 1HD PRO 78 5.454 7.827 -4.313 533 H LEU 79 H LEU 79 0.437 6.715 -3.592 534 HA LEU 79 HA LEU 79 -0.641 5.640 -6.063 535 1HB LEU 79 2HB LEU 79 -1.632 3.907 -4.527 536 2HB LEU 79 1HB LEU 79 0.138 4.091 -4.528 537 HG LEU 79 HG LEU 79 0.160 5.041 -2.369 538 1HD1 LEU 79 1HD1 LEU 79 -1.971 6.292 -2.419 539 2HD1 LEU 79 2HD1 LEU 79 -1.853 5.264 -0.989 540 3HD1 LEU 79 3HD1 LEU 79 -2.858 4.768 -2.353 541 1HD2 LEU 79 1HD2 LEU 79 0.188 2.653 -2.511 542 2HD2 LEU 79 2HD2 LEU 79 -1.568 2.593 -2.560 543 3HD2 LEU 79 3HD2 LEU 79 -0.746 3.129 -1.088 544 H ASN 80 H ASN 80 -0.988 8.319 -5.029 545 HA ASN 80 HA ASN 80 -3.427 8.755 -3.659 546 1HB ASN 80 2HB ASN 80 -1.549 10.370 -3.726 547 2HB ASN 80 1HB ASN 80 -1.848 10.641 -5.428 548 1HD2 ASN 80 1HD2 ASN 80 -4.479 10.352 -3.098 549 2HD2 ASN 80 2HD2 ASN 80 -4.913 12.008 -3.143 550 H ASN 81 H ASN 81 -2.811 7.967 -6.777 551 HA ASN 81 HA ASN 81 -5.071 9.264 -8.023 552 1HB ASN 81 2HB ASN 81 -2.958 8.902 -9.208 553 2HB ASN 81 1HB ASN 81 -3.201 7.167 -9.106 554 1HD2 ASN 81 1HD2 ASN 81 -4.277 10.090 -10.442 555 2HD2 ASN 81 2HD2 ASN 81 -5.143 9.475 -11.814 556 H PHE 82 H PHE 82 -4.628 6.235 -6.336 557 HA PHE 82 HA PHE 82 -6.977 5.192 -7.708 558 1HB PHE 82 2HB PHE 82 -4.862 3.578 -6.254 559 2HB PHE 82 1HB PHE 82 -6.208 2.973 -7.219 560 HD1 PHE 82 1HD PHE 82 -2.814 4.204 -7.264 561 HD2 PHE 82 2HD PHE 82 -6.196 3.263 -9.674 562 HE1 PHE 82 1HE PHE 82 -1.378 4.156 -9.255 563 HE2 PHE 82 2HE PHE 82 -4.760 3.211 -11.669 564 HZ PHE 82 HZ PHE 82 -2.348 3.657 -11.460 565 H SER 83 H SER 83 -8.434 4.205 -6.509 566 HA SER 83 HA SER 83 -8.745 5.200 -3.797 567 1HB SER 83 2HB SER 83 -10.565 5.421 -5.507 568 2HB SER 83 1HB SER 83 -10.751 3.672 -5.471 569 HG SER 83 HG SER 83 -11.292 5.577 -3.478 570 H ALA 84 H ALA 84 -10.267 3.402 -2.557 571 HA ALA 84 HA ALA 84 -8.575 1.932 -1.073 572 1HB ALA 84 1HB ALA 84 -11.472 1.329 -1.574 573 2HB ALA 84 2HB ALA 84 -10.750 2.432 -0.380 574 3HB ALA 84 3HB ALA 84 -10.504 0.698 -0.232 575 H ASP 85 H ASP 85 -10.890 0.469 -3.374 576 HA ASP 85 HA ASP 85 -9.828 -2.159 -3.134 577 1HB ASP 85 2HB ASP 85 -11.907 -0.971 -4.979 578 2HB ASP 85 1HB ASP 85 -11.436 -2.665 -5.036 579 H GLN 86 H GLN 86 -9.476 0.458 -5.315 580 HA GLN 86 HA GLN 86 -8.051 -0.982 -7.365 581 1HB GLN 86 2HB GLN 86 -8.127 1.945 -6.681 582 2HB GLN 86 1HB GLN 86 -7.257 1.270 -8.051 583 1HG GLN 86 2HG GLN 86 -10.217 1.227 -7.581 584 2HG GLN 86 1HG GLN 86 -9.332 2.121 -8.823 585 1HE2 GLN 86 1HE2 GLN 86 -8.195 0.912 -10.353 586 2HE2 GLN 86 2HE2 GLN 86 -8.731 -0.680 -10.808 587 H VAL 87 H VAL 87 -6.801 1.036 -4.756 588 HA VAL 87 HA VAL 87 -4.166 0.367 -5.424 589 HB VAL 87 HB VAL 87 -3.522 0.980 -3.067 590 1HG1 VAL 87 1HG1 VAL 87 -4.128 3.315 -3.196 591 2HG1 VAL 87 2HG1 VAL 87 -5.396 2.935 -4.348 592 3HG1 VAL 87 3HG1 VAL 87 -3.698 2.707 -4.801 593 1HG2 VAL 87 1HG2 VAL 87 -5.494 0.212 -1.925 594 2HG2 VAL 87 2HG2 VAL 87 -6.458 1.467 -2.716 595 3HG2 VAL 87 3HG2 VAL 87 -5.172 1.909 -1.586 596 H THR 88 H THR 88 -6.515 -1.314 -3.376 597 HA THR 88 HA THR 88 -4.502 -3.141 -2.581 598 HB THR 88 HB THR 88 -6.377 -4.444 -1.545 599 HG1 THR 88 1HG THR 88 -7.888 -2.107 -2.201 600 1HG2 THR 88 1HG2 THR 88 -6.688 -2.737 0.151 601 2HG2 THR 88 2HG2 THR 88 -6.069 -1.521 -0.969 602 3HG2 THR 88 3HG2 THR 88 -5.016 -2.813 -0.396 603 H ARG 89 H ARG 89 -6.806 -3.307 -5.057 604 HA ARG 89 HA ARG 89 -6.242 -6.111 -5.519 605 1HB ARG 89 2HB ARG 89 -8.479 -5.183 -6.119 606 2HB ARG 89 1HB ARG 89 -7.712 -4.141 -7.308 607 1HG ARG 89 2HG ARG 89 -8.698 -6.057 -8.393 608 2HG ARG 89 1HG ARG 89 -6.936 -6.131 -8.522 609 1HD ARG 89 2HD ARG 89 -7.022 -7.560 -6.420 610 2HD ARG 89 1HD ARG 89 -8.752 -7.698 -6.728 611 HE ARG 89 HE ARG 89 -7.860 -8.471 -9.050 612 1HH1 ARG 89 1HH1 ARG 89 -6.607 -9.268 -5.832 613 2HH1 ARG 89 2HH1 ARG 89 -5.849 -10.705 -6.330 614 1HH2 ARG 89 1HH2 ARG 89 -6.897 -10.516 -9.706 615 2HH2 ARG 89 2HH2 ARG 89 -6.065 -11.456 -8.551 616 H ALA 90 H ALA 90 -5.377 -3.020 -6.999 617 HA ALA 90 HA ALA 90 -3.598 -4.116 -8.945 618 1HB ALA 90 1HB ALA 90 -4.304 -1.727 -8.958 619 2HB ALA 90 2HB ALA 90 -2.551 -1.914 -9.009 620 3HB ALA 90 3HB ALA 90 -3.347 -1.463 -7.501 621 H LEU 91 H LEU 91 -3.119 -3.268 -5.510 622 HA LEU 91 HA LEU 91 -0.427 -3.899 -5.301 623 1HB LEU 91 2HB LEU 91 -2.667 -4.164 -3.262 624 2HB LEU 91 1HB LEU 91 -1.289 -5.149 -3.101 625 HG LEU 91 HG LEU 91 0.231 -3.378 -2.813 626 1HD1 LEU 91 1HD1 LEU 91 -0.618 -1.786 -4.406 627 2HD1 LEU 91 2HD1 LEU 91 -0.395 -1.040 -2.824 628 3HD1 LEU 91 3HD1 LEU 91 -2.014 -1.476 -3.376 629 1HD2 LEU 91 1HD2 LEU 91 -1.005 -4.044 -0.850 630 2HD2 LEU 91 2HD2 LEU 91 -2.269 -2.872 -1.221 631 3HD2 LEU 91 3HD2 LEU 91 -0.650 -2.318 -0.796 632 H GLU 92 H GLU 92 -3.165 -6.089 -4.999 633 HA GLU 92 HA GLU 92 -1.424 -8.318 -4.596 634 1HB GLU 92 2HB GLU 92 -4.004 -7.994 -4.065 635 2HB GLU 92 1HB GLU 92 -4.218 -8.588 -5.675 636 1HG GLU 92 2HG GLU 92 -2.660 -10.248 -3.715 637 2HG GLU 92 1HG GLU 92 -4.413 -10.285 -3.730 638 H ASN 93 H ASN 93 -3.047 -7.142 -7.424 639 HA ASN 93 HA ASN 93 -2.194 -8.889 -9.351 640 1HB ASN 93 2HB ASN 93 -2.739 -5.999 -9.213 641 2HB ASN 93 1HB ASN 93 -1.957 -6.447 -10.684 642 1HD2 ASN 93 1HD2 ASN 93 -4.488 -5.339 -10.527 643 2HD2 ASN 93 2HD2 ASN 93 -5.659 -6.517 -10.989 644 H VAL 94 H VAL 94 -0.436 -5.928 -8.453 645 HA VAL 94 HA VAL 94 1.911 -6.705 -9.834 646 HB VAL 94 HB VAL 94 3.050 -5.037 -8.608 647 1HG1 VAL 94 1HG1 VAL 94 1.861 -3.066 -9.733 648 2HG1 VAL 94 2HG1 VAL 94 0.481 -4.137 -9.981 649 3HG1 VAL 94 3HG1 VAL 94 2.019 -4.480 -10.776 650 1HG2 VAL 94 1HG2 VAL 94 1.882 -4.817 -6.558 651 2HG2 VAL 94 2HG2 VAL 94 0.404 -4.320 -7.379 652 3HG2 VAL 94 3HG2 VAL 94 1.806 -3.248 -7.364 653 H LEU 95 H LEU 95 1.174 -6.932 -6.432 654 HA LEU 95 HA LEU 95 3.911 -7.733 -6.368 655 1HB LEU 95 2HB LEU 95 3.884 -7.197 -3.908 656 2HB LEU 95 1HB LEU 95 3.667 -5.914 -5.088 657 HG LEU 95 HG LEU 95 1.214 -6.141 -4.698 658 1HD1 LEU 95 1HD1 LEU 95 1.993 -7.588 -2.186 659 2HD1 LEU 95 2HD1 LEU 95 1.062 -8.214 -3.552 660 3HD1 LEU 95 3HD1 LEU 95 0.391 -6.937 -2.563 661 1HD2 LEU 95 1HD2 LEU 95 1.231 -4.659 -2.750 662 2HD2 LEU 95 2HD2 LEU 95 2.423 -4.225 -3.974 663 3HD2 LEU 95 3HD2 LEU 95 2.932 -5.053 -2.503 664 H SER 96 H SER 96 1.059 -9.188 -6.026 665 HA SER 96 HA SER 96 2.609 -11.197 -4.743 666 1HB SER 96 2HB SER 96 -0.406 -11.145 -5.116 667 2HB SER 96 1HB SER 96 0.481 -12.425 -4.290 668 HG SER 96 HG SER 96 -0.483 -10.395 -3.178 669 H GLY 97 H GLY 97 1.229 -10.133 -7.788 670 1HA GLY 97 2HA GLY 97 1.496 -12.796 -8.882 671 2HA GLY 97 1HA GLY 97 0.700 -11.420 -9.621 672 H LYS 98 H LYS 98 2.964 -9.465 -9.308 673 HA LYS 98 HA LYS 98 4.380 -10.853 -11.435 674 1HB LYS 98 2HB LYS 98 4.975 -8.646 -12.409 675 2HB LYS 98 1HB LYS 98 3.309 -9.183 -12.702 676 1HG LYS 98 2HG LYS 98 3.116 -6.895 -12.323 677 2HG LYS 98 1HG LYS 98 2.860 -7.527 -10.701 678 1HD LYS 98 2HD LYS 98 4.356 -5.624 -10.621 679 2HD LYS 98 1HD LYS 98 5.228 -7.088 -10.181 680 1HE LYS 98 2HE LYS 98 6.620 -5.728 -11.625 681 2HE LYS 98 1HE LYS 98 6.146 -7.189 -12.483 682 1HZ LYS 98 1HZ LYS 98 4.610 -5.967 -13.794 683 2HZ LYS 98 2HZ LYS 98 5.994 -4.975 -13.750 684 3HZ LYS 98 3HZ LYS 98 4.678 -4.649 -12.772 685 H ALA 99 H ALA 99 4.754 -8.659 -9.082 686 HA ALA 99 HA ALA 99 7.630 -8.936 -9.098 687 1HB ALA 99 1HB ALA 99 7.454 -7.149 -7.363 688 2HB ALA 99 2HB ALA 99 5.688 -7.208 -7.600 689 3HB ALA 99 3HB ALA 99 6.731 -6.734 -8.920 Start of MODEL 7 1 H GLY 15 H GLY 15 2.539 -10.822 -1.125 2 1HA GLY 15 1HA GLY 15 3.310 -13.035 -2.934 3 2HA GLY 15 2HA GLY 15 2.718 -11.471 -3.482 4 H LEU 16 H LEU 16 4.572 -11.192 -0.592 5 HA LEU 16 HA LEU 16 6.989 -10.797 -1.953 6 1HB LEU 16 2HB LEU 16 7.027 -8.310 -1.314 7 2HB LEU 16 1HB LEU 16 6.301 -8.814 -2.807 8 HG LEU 16 HG LEU 16 4.143 -8.193 -2.099 9 1HD1 LEU 16 1HD1 LEU 16 5.196 -7.990 0.729 10 2HD1 LEU 16 2HD1 LEU 16 4.151 -9.274 0.088 11 3HD1 LEU 16 3HD1 LEU 16 3.551 -7.618 0.183 12 1HD2 LEU 16 1HD2 LEU 16 6.097 -6.293 -0.858 13 2HD2 LEU 16 2HD2 LEU 16 4.422 -5.931 -1.286 14 3HD2 LEU 16 3HD2 LEU 16 5.586 -6.334 -2.546 15 H ARG 17 H ARG 17 8.184 -8.998 -0.326 16 HA ARG 17 HA ARG 17 8.364 -10.535 2.127 17 1HB ARG 17 2HB ARG 17 10.187 -8.425 0.975 18 2HB ARG 17 1HB ARG 17 10.474 -9.305 2.468 19 1HG ARG 17 2HG ARG 17 10.621 -11.381 1.235 20 2HG ARG 17 1HG ARG 17 10.280 -10.524 -0.268 21 1HD ARG 17 2HD ARG 17 12.649 -10.925 -0.067 22 2HD ARG 17 1HD ARG 17 12.315 -9.199 0.046 23 HE ARG 17 HE ARG 17 12.536 -10.658 2.538 24 1HH1 ARG 17 1HH1 ARG 17 14.133 -8.540 0.161 25 2HH1 ARG 17 2HH1 ARG 17 15.356 -8.051 1.218 26 1HH2 ARG 17 1HH2 ARG 17 14.314 -10.043 3.951 27 2HH2 ARG 17 2HH2 ARG 17 15.471 -8.905 3.393 28 H GLU 18 H GLU 18 7.599 -7.294 0.897 29 HA GLU 18 HA GLU 18 6.299 -6.743 3.460 30 1HB GLU 18 2HB GLU 18 7.566 -4.713 3.939 31 2HB GLU 18 1HB GLU 18 8.490 -6.207 4.269 32 1HG GLU 18 2HG GLU 18 9.561 -5.540 1.912 33 2HG GLU 18 1HG GLU 18 8.721 -4.049 2.220 34 H ILE 19 H ILE 19 4.719 -5.025 3.466 35 HA ILE 19 HA ILE 19 5.119 -3.009 1.368 36 HB ILE 19 HB ILE 19 2.778 -4.502 1.397 37 1HG1 ILE 19 2HG1 ILE 19 1.715 -2.631 0.139 38 2HG1 ILE 19 1HG1 ILE 19 3.096 -1.632 0.572 39 1HG2 ILE 19 1HG2 ILE 19 2.110 -1.960 2.919 40 2HG2 ILE 19 2HG2 ILE 19 1.980 -3.598 3.553 41 3HG2 ILE 19 3HG2 ILE 19 0.934 -3.081 2.232 42 1HD1 ILE 19 1HD1 ILE 19 3.298 -2.516 -1.654 43 2HD1 ILE 19 2HD1 ILE 19 3.166 -4.159 -1.028 44 3HD1 ILE 19 3HD1 ILE 19 4.557 -3.160 -0.603 45 H ARG 20 H ARG 20 5.181 -1.060 1.940 46 HA ARG 20 HA ARG 20 4.525 -0.300 4.701 47 1HB ARG 20 2HB ARG 20 6.928 0.396 3.053 48 2HB ARG 20 1HB ARG 20 6.304 1.575 4.181 49 1HG ARG 20 2HG ARG 20 8.149 0.405 5.167 50 2HG ARG 20 1HG ARG 20 6.670 -0.016 6.013 51 1HD ARG 20 2HD ARG 20 6.621 -2.163 4.963 52 2HD ARG 20 1HD ARG 20 7.957 -1.721 3.895 53 HE ARG 20 HE ARG 20 9.190 -1.382 6.102 54 1HH1 ARG 20 1HH1 ARG 20 6.738 -3.853 5.665 55 2HH1 ARG 20 2HH1 ARG 20 7.547 -5.078 6.555 56 1HH2 ARG 20 1HH2 ARG 20 10.350 -3.023 7.337 57 2HH2 ARG 20 2HH2 ARG 20 9.648 -4.545 7.589 58 H ILE 21 H ILE 21 2.647 0.744 4.415 59 HA ILE 21 HA ILE 21 2.148 2.388 2.072 60 HB ILE 21 HB ILE 21 0.730 3.199 4.380 61 1HG1 ILE 21 2HG1 ILE 21 0.090 0.344 3.596 62 2HG1 ILE 21 1HG1 ILE 21 0.979 0.787 5.057 63 1HG2 ILE 21 1HG2 ILE 21 -0.196 2.130 1.737 64 2HG2 ILE 21 2HG2 ILE 21 -0.001 3.814 2.229 65 3HG2 ILE 21 3HG2 ILE 21 -1.271 2.827 2.950 66 1HD1 ILE 21 1HD1 ILE 21 -1.355 0.403 5.596 67 2HD1 ILE 21 2HD1 ILE 21 -1.827 1.593 4.366 68 3HD1 ILE 21 3HD1 ILE 21 -0.942 2.119 5.781 69 H HIS 22 H HIS 22 2.818 4.376 2.031 70 HA HIS 22 HA HIS 22 3.651 5.624 4.519 71 1HB HIS 22 2HB HIS 22 3.943 6.583 1.635 72 2HB HIS 22 1HB HIS 22 4.600 7.410 3.050 73 HD1 HIS 22 1HD HIS 22 6.201 5.827 0.494 74 HD2 HIS 22 2HD HIS 22 5.933 4.809 4.527 75 HE1 HIS 22 1HE HIS 22 8.088 4.302 0.944 76 HE2 HIS 22 2HE HIS 22 7.999 3.787 3.382 77 H LEU 23 H LEU 23 2.194 6.773 5.535 78 HA LEU 23 HA LEU 23 -0.119 7.695 4.041 79 1HB LEU 23 2HB LEU 23 -0.724 5.599 4.926 80 2HB LEU 23 1HB LEU 23 -0.066 6.000 6.503 81 HG LEU 23 HG LEU 23 -1.773 7.828 6.639 82 1HD1 LEU 23 1HD1 LEU 23 -3.760 7.659 5.235 83 2HD1 LEU 23 2HD1 LEU 23 -2.959 6.424 4.266 84 3HD1 LEU 23 3HD1 LEU 23 -2.313 8.064 4.312 85 1HD2 LEU 23 1HD2 LEU 23 -3.575 6.319 7.283 86 2HD2 LEU 23 2HD2 LEU 23 -2.002 5.759 7.856 87 3HD2 LEU 23 3HD2 LEU 23 -2.755 4.997 6.453 88 H CYS 24 H CYS 24 -0.620 9.697 4.666 89 HA CYS 24 HA CYS 24 -0.410 10.515 7.458 90 1HB CYS 24 2HB CYS 24 0.636 12.297 5.272 91 2HB CYS 24 1HB CYS 24 0.678 12.573 6.998 92 H GLN 25 H GLN 25 -1.677 12.416 7.785 93 HA GLN 25 HA GLN 25 -3.237 13.348 5.490 94 1HB GLN 25 2HB GLN 25 -4.520 12.459 7.561 95 2HB GLN 25 1HB GLN 25 -3.790 13.759 8.473 96 1HG GLN 25 2HG GLN 25 -5.694 14.113 6.146 97 2HG GLN 25 1HG GLN 25 -6.140 14.184 7.845 98 1HE2 GLN 25 1HE2 GLN 25 -4.765 15.854 5.182 99 2HE2 GLN 25 2HE2 GLN 25 -4.508 17.366 5.972 100 H ARG 26 H ARG 26 -1.452 14.499 4.776 101 HA ARG 26 HA ARG 26 -0.528 16.705 6.449 102 1HB ARG 26 2HB ARG 26 0.907 14.650 6.825 103 2HB ARG 26 1HB ARG 26 1.369 14.752 5.141 104 1HG ARG 26 2HG ARG 26 2.396 16.930 5.561 105 2HG ARG 26 1HG ARG 26 1.915 16.820 7.259 106 1HD ARG 26 2HD ARG 26 3.183 14.684 7.414 107 2HD ARG 26 1HD ARG 26 3.771 14.961 5.780 108 HE ARG 26 HE ARG 26 4.354 16.696 8.085 109 1HH1 ARG 26 1HH1 ARG 26 5.274 15.410 4.923 110 2HH1 ARG 26 2HH1 ARG 26 6.878 15.941 5.036 111 1HH2 ARG 26 1HH2 ARG 26 6.528 17.397 8.253 112 2HH2 ARG 26 2HH2 ARG 26 7.637 17.075 6.971 113 H SER 27 H SER 27 0.729 15.170 3.406 114 HA SER 27 HA SER 27 0.082 17.694 2.091 115 1HB SER 27 2HB SER 27 1.855 15.383 1.226 116 2HB SER 27 1HB SER 27 1.706 16.939 0.406 117 HG SER 27 HG SER 27 2.347 17.685 2.741 118 HA PRO 28 HA PRO 28 -3.073 16.288 -0.910 119 1HB PRO 28 2HB PRO 28 -0.758 15.214 -2.513 120 2HB PRO 28 1HB PRO 28 -2.277 15.925 -3.098 121 1HG PRO 28 2HG PRO 28 -0.027 17.375 -2.856 122 2HG PRO 28 1HG PRO 28 -1.628 18.069 -2.551 123 1HD PRO 28 2HD PRO 28 0.537 17.557 -0.662 124 2HD PRO 28 1HD PRO 28 -0.966 18.465 -0.410 125 H GLY 29 H GLY 29 -4.010 14.771 0.355 126 1HA GLY 29 2HA GLY 29 -2.896 12.081 0.437 127 2HA GLY 29 1HA GLY 29 -4.170 12.708 1.470 128 H SER 30 H SER 30 -4.751 10.362 0.635 129 HA SER 30 HA SER 30 -6.453 10.777 -1.665 130 1HB SER 30 2HB SER 30 -4.813 8.328 -1.068 131 2HB SER 30 1HB SER 30 -6.064 8.424 -2.307 132 HG SER 30 HG SER 30 -4.787 9.415 -3.523 133 H GLN 31 H GLN 31 -8.270 9.861 -1.645 134 HA GLN 31 HA GLN 31 -9.451 9.379 0.978 135 1HB GLN 31 2HB GLN 31 -11.622 9.640 -0.235 136 2HB GLN 31 1HB GLN 31 -10.562 11.026 -0.465 137 1HG GLN 31 2HG GLN 31 -9.872 10.068 -2.654 138 2HG GLN 31 1HG GLN 31 -11.053 8.787 -2.421 139 1HE2 GLN 31 1HE2 GLN 31 -10.851 10.768 -4.525 140 2HE2 GLN 31 2HE2 GLN 31 -12.323 11.644 -4.518 141 H GLY 32 H GLY 32 -8.877 7.842 -2.081 142 1HA GLY 32 2HA GLY 32 -10.235 5.467 -1.442 143 2HA GLY 32 1HA GLY 32 -9.026 5.696 -2.707 144 H VAL 33 H VAL 33 -7.092 6.818 -0.818 145 HA VAL 33 HA VAL 33 -6.189 4.222 -0.005 146 HB VAL 33 HB VAL 33 -4.113 5.029 0.806 147 1HG1 VAL 33 1HG1 VAL 33 -4.803 6.467 -1.708 148 2HG1 VAL 33 2HG1 VAL 33 -4.206 4.819 -1.525 149 3HG1 VAL 33 3HG1 VAL 33 -3.170 6.184 -1.109 150 1HG2 VAL 33 1HG2 VAL 33 -4.765 7.009 2.057 151 2HG2 VAL 33 2HG2 VAL 33 -5.130 7.865 0.559 152 3HG2 VAL 33 3HG2 VAL 33 -3.467 7.413 0.933 153 H ARG 34 H ARG 34 -7.194 7.099 1.791 154 HA ARG 34 HA ARG 34 -7.306 6.259 4.357 155 1HB ARG 34 2HB ARG 34 -8.373 8.338 3.256 156 2HB ARG 34 1HB ARG 34 -9.740 7.322 3.005 157 1HG ARG 34 2HG ARG 34 -10.003 6.838 5.358 158 2HG ARG 34 1HG ARG 34 -8.611 7.848 5.740 159 1HD ARG 34 2HD ARG 34 -9.790 9.804 4.881 160 2HD ARG 34 1HD ARG 34 -11.170 8.787 4.457 161 HE ARG 34 HE ARG 34 -10.531 8.469 7.181 162 1HH1 ARG 34 1HH1 ARG 34 -12.090 10.780 4.982 163 2HH1 ARG 34 2HH1 ARG 34 -13.016 11.534 6.211 164 1HH2 ARG 34 1HH2 ARG 34 -11.923 9.425 8.828 165 2HH2 ARG 34 2HH2 ARG 34 -12.946 10.723 8.445 166 H ASP 35 H ASP 35 -9.729 5.564 1.907 167 HA ASP 35 HA ASP 35 -11.256 3.710 3.419 168 1HB ASP 35 2HB ASP 35 -10.971 4.165 0.506 169 2HB ASP 35 1HB ASP 35 -11.587 2.646 0.968 170 H PHE 36 H PHE 36 -8.594 3.083 1.332 171 HA PHE 36 HA PHE 36 -8.561 0.396 1.849 172 1HB PHE 36 2HB PHE 36 -7.129 0.886 0.171 173 2HB PHE 36 1HB PHE 36 -6.675 2.429 0.806 174 HD1 PHE 36 1HD PHE 36 -5.477 -0.566 -0.299 175 HD2 PHE 36 2HD PHE 36 -5.028 1.954 3.097 176 HE1 PHE 36 1HE PHE 36 -3.241 -1.487 0.074 177 HE2 PHE 36 2HE PHE 36 -2.787 1.019 3.471 178 HZ PHE 36 HZ PHE 36 -1.888 -0.696 1.967 179 H ILE 37 H ILE 37 -6.909 2.878 3.442 180 HA ILE 37 HA ILE 37 -5.499 1.513 5.474 181 HB ILE 37 HB ILE 37 -6.857 4.072 6.034 182 1HG1 ILE 37 2HG1 ILE 37 -5.829 4.801 3.925 183 2HG1 ILE 37 1HG1 ILE 37 -4.887 5.392 5.245 184 1HG2 ILE 37 1HG2 ILE 37 -4.803 4.624 7.351 185 2HG2 ILE 37 2HG2 ILE 37 -4.232 2.993 6.987 186 3HG2 ILE 37 3HG2 ILE 37 -5.721 3.224 7.905 187 1HD1 ILE 37 1HD1 ILE 37 -3.594 4.614 3.389 188 2HD1 ILE 37 2HD1 ILE 37 -4.126 2.958 3.697 189 3HD1 ILE 37 3HD1 ILE 37 -3.152 3.828 4.907 190 H GLU 38 H GLU 38 -8.840 2.400 5.320 191 HA GLU 38 HA GLU 38 -9.248 2.067 8.218 192 1HB GLU 38 2HB GLU 38 -9.765 4.256 7.625 193 2HB GLU 38 1HB GLU 38 -10.536 3.769 6.129 194 1HG GLU 38 2HG GLU 38 -12.340 2.793 7.401 195 2HG GLU 38 1HG GLU 38 -11.620 3.396 8.915 196 H LYS 39 H LYS 39 -10.915 1.789 5.184 197 HA LYS 39 HA LYS 39 -13.065 0.256 6.288 198 1HB LYS 39 2HB LYS 39 -13.084 2.148 4.538 199 2HB LYS 39 1HB LYS 39 -12.494 0.917 3.432 200 1HG LYS 39 2HG LYS 39 -14.842 1.028 3.116 201 2HG LYS 39 1HG LYS 39 -14.547 -0.434 4.058 202 1HD LYS 39 2HD LYS 39 -16.332 0.511 5.194 203 2HD LYS 39 1HD LYS 39 -14.953 1.096 6.115 204 1HE LYS 39 2HE LYS 39 -16.486 2.656 4.011 205 2HE LYS 39 1HE LYS 39 -16.627 2.868 5.745 206 1HZ LYS 39 1HZ LYS 39 -15.306 4.590 4.849 207 2HZ LYS 39 2HZ LYS 39 -14.301 3.586 4.007 208 3HZ LYS 39 3HZ LYS 39 -14.223 3.656 5.708 209 H ARG 40 H ARG 40 -10.118 -0.198 4.394 210 HA ARG 40 HA ARG 40 -11.128 -2.802 3.579 211 1HB ARG 40 2HB ARG 40 -10.675 -1.013 1.905 212 2HB ARG 40 1HB ARG 40 -8.987 -1.097 2.370 213 1HG ARG 40 2HG ARG 40 -9.194 -2.382 0.441 214 2HG ARG 40 1HG ARG 40 -9.083 -3.467 1.848 215 1HD ARG 40 2HD ARG 40 -11.366 -3.983 1.777 216 2HD ARG 40 1HD ARG 40 -11.721 -2.640 0.689 217 HE ARG 40 HE ARG 40 -10.250 -5.070 -0.078 218 1HH1 ARG 40 1HH1 ARG 40 -12.450 -2.365 -0.899 219 2HH1 ARG 40 2HH1 ARG 40 -12.652 -2.920 -2.495 220 1HH2 ARG 40 1HH2 ARG 40 -10.533 -5.712 -2.242 221 2HH2 ARG 40 2HH2 ARG 40 -11.536 -4.775 -3.298 222 H TYR 41 H TYR 41 -8.812 -1.123 5.438 223 HA TYR 41 HA TYR 41 -6.462 -2.347 5.499 224 1HB TYR 41 2HB TYR 41 -7.286 -0.729 7.245 225 2HB TYR 41 1HB TYR 41 -8.067 -2.066 7.996 226 HD1 TYR 41 1HD TYR 41 -4.619 -0.971 7.074 227 HD2 TYR 41 2HD TYR 41 -7.076 -3.416 9.524 228 HE1 TYR 41 1HE TYR 41 -2.647 -1.634 8.392 229 HE2 TYR 41 2HE TYR 41 -5.179 -4.088 10.827 230 HH TYR 41 HH TYR 41 -2.092 -2.526 10.539 231 H VAL 42 H VAL 42 -8.846 -3.826 7.565 232 HA VAL 42 HA VAL 42 -7.324 -6.077 8.068 233 HB VAL 42 HB VAL 42 -8.985 -5.571 9.598 234 1HG1 VAL 42 1HG1 VAL 42 -10.993 -5.491 7.367 235 2HG1 VAL 42 2HG1 VAL 42 -10.198 -4.136 8.170 236 3HG1 VAL 42 3HG1 VAL 42 -11.315 -5.161 9.091 237 1HG2 VAL 42 1HG2 VAL 42 -10.117 -7.887 8.010 238 2HG2 VAL 42 2HG2 VAL 42 -10.527 -7.492 9.684 239 3HG2 VAL 42 3HG2 VAL 42 -8.882 -7.974 9.269 240 H GLU 43 H GLU 43 -9.668 -5.478 5.533 241 HA GLU 43 HA GLU 43 -9.591 -8.086 4.324 242 1HB GLU 43 2HB GLU 43 -11.383 -6.457 3.830 243 2HB GLU 43 1HB GLU 43 -10.199 -5.337 3.185 244 1HG GLU 43 2HG GLU 43 -11.286 -6.334 1.338 245 2HG GLU 43 1HG GLU 43 -9.682 -7.046 1.424 246 H LEU 44 H LEU 44 -7.507 -5.118 3.893 247 HA LEU 44 HA LEU 44 -6.239 -6.496 1.671 248 1HB LEU 44 2HB LEU 44 -4.823 -4.538 1.517 249 2HB LEU 44 1HB LEU 44 -6.511 -4.092 1.573 250 HG LEU 44 HG LEU 44 -5.839 -3.849 4.172 251 1HD1 LEU 44 1HD1 LEU 44 -3.722 -2.673 4.274 252 2HD1 LEU 44 2HD1 LEU 44 -3.435 -3.106 2.578 253 3HD1 LEU 44 3HD1 LEU 44 -3.543 -4.362 3.795 254 1HD2 LEU 44 1HD2 LEU 44 -7.052 -2.259 2.868 255 2HD2 LEU 44 2HD2 LEU 44 -5.577 -1.804 2.017 256 3HD2 LEU 44 3HD2 LEU 44 -5.738 -1.475 3.741 257 H LYS 45 H LYS 45 -5.863 -6.417 4.958 258 HA LYS 45 HA LYS 45 -3.198 -7.474 4.953 259 1HB LYS 45 2HB LYS 45 -4.084 -6.159 6.828 260 2HB LYS 45 1HB LYS 45 -5.315 -7.381 7.105 261 1HG LYS 45 2HG LYS 45 -3.589 -9.000 7.661 262 2HG LYS 45 1HG LYS 45 -2.349 -7.782 7.364 263 1HD LYS 45 2HD LYS 45 -3.321 -6.392 9.144 264 2HD LYS 45 1HD LYS 45 -4.506 -7.663 9.459 265 1HE LYS 45 2HE LYS 45 -2.673 -7.813 11.039 266 2HE LYS 45 1HE LYS 45 -2.693 -9.218 9.981 267 1HZ LYS 45 1HZ LYS 45 -0.476 -8.317 10.356 268 2HZ LYS 45 2HZ LYS 45 -0.923 -6.856 9.640 269 3HZ LYS 45 3HZ LYS 45 -0.857 -8.264 8.707 270 H LYS 46 H LYS 46 -6.499 -8.715 5.010 271 HA LYS 46 HA LYS 46 -5.568 -11.429 5.464 272 1HB LYS 46 2HB LYS 46 -7.781 -12.005 5.853 273 2HB LYS 46 1HB LYS 46 -7.649 -10.383 6.501 274 1HG LYS 46 2HG LYS 46 -8.623 -9.735 4.054 275 2HG LYS 46 1HG LYS 46 -9.033 -11.320 4.033 276 1HD LYS 46 2HD LYS 46 -10.211 -11.377 6.146 277 2HD LYS 46 1HD LYS 46 -9.950 -9.644 6.329 278 1HE LYS 46 2HE LYS 46 -12.195 -10.289 5.455 279 2HE LYS 46 1HE LYS 46 -11.293 -9.171 4.429 280 1HZ LYS 46 1HZ LYS 46 -12.474 -11.161 3.378 281 2HZ LYS 46 2HZ LYS 46 -11.114 -12.080 3.874 282 3HZ LYS 46 3HZ LYS 46 -10.946 -10.710 2.866 283 H ALA 47 H ALA 47 -6.800 -9.426 2.867 284 HA ALA 47 HA ALA 47 -7.633 -11.470 1.366 285 1HB ALA 47 1HB ALA 47 -8.533 -9.301 0.925 286 2HB ALA 47 2HB ALA 47 -7.755 -9.841 -0.568 287 3HB ALA 47 3HB ALA 47 -6.944 -8.679 0.476 288 H ASN 48 H ASN 48 -4.711 -9.761 1.853 289 HA ASN 48 HA ASN 48 -3.227 -11.222 -0.125 290 1HB ASN 48 2HB ASN 48 -2.627 -8.396 0.897 291 2HB ASN 48 1HB ASN 48 -1.738 -9.271 -0.325 292 1HD2 ASN 48 1HD2 ASN 48 -2.901 -6.519 -0.666 293 2HD2 ASN 48 2HD2 ASN 48 -4.031 -6.691 -1.936 294 HA PRO 49 HA PRO 49 -2.600 -12.281 4.351 295 1HB PRO 49 2HB PRO 49 -1.829 -14.839 3.845 296 2HB PRO 49 1HB PRO 49 -3.529 -14.343 3.895 297 1HG PRO 49 2HG PRO 49 -1.711 -14.607 1.532 298 2HG PRO 49 1HG PRO 49 -3.322 -15.286 1.714 299 1HD PRO 49 2HD PRO 49 -2.966 -13.042 0.358 300 2HD PRO 49 1HD PRO 49 -4.338 -13.078 1.472 301 H ASP 50 H ASP 50 -0.686 -13.220 1.820 302 HA ASP 50 HA ASP 50 1.853 -13.168 3.279 303 1HB ASP 50 2HB ASP 50 1.379 -14.855 1.498 304 2HB ASP 50 1HB ASP 50 1.369 -13.560 0.313 305 H LEU 51 H LEU 51 0.255 -10.702 2.970 306 HA LEU 51 HA LEU 51 2.298 -9.127 1.654 307 1HB LEU 51 2HB LEU 51 -0.017 -9.222 0.641 308 2HB LEU 51 1HB LEU 51 -0.637 -8.315 1.979 309 HG LEU 51 HG LEU 51 1.038 -7.521 -0.339 310 1HD1 LEU 51 1HD1 LEU 51 -1.184 -6.140 1.078 311 2HD1 LEU 51 2HD1 LEU 51 -1.269 -7.061 -0.424 312 3HD1 LEU 51 3HD1 LEU 51 -0.354 -5.554 -0.364 313 1HD2 LEU 51 1HD2 LEU 51 2.487 -6.854 1.468 314 2HD2 LEU 51 2HD2 LEU 51 1.148 -6.002 2.240 315 3HD2 LEU 51 3HD2 LEU 51 1.769 -5.448 0.685 316 HA PRO 52 HA PRO 52 2.736 -7.828 6.178 317 1HB PRO 52 2HB PRO 52 4.634 -6.312 4.557 318 2HB PRO 52 1HB PRO 52 4.774 -6.989 6.180 319 1HG PRO 52 2HG PRO 52 5.941 -8.192 4.105 320 2HG PRO 52 1HG PRO 52 5.086 -9.194 5.282 321 1HD PRO 52 2HD PRO 52 4.244 -8.301 2.560 322 2HD PRO 52 1HD PRO 52 3.913 -9.839 3.391 323 H ILE 53 H ILE 53 1.481 -6.339 6.728 324 HA ILE 53 HA ILE 53 1.036 -4.006 4.941 325 HB ILE 53 HB ILE 53 -0.840 -5.006 7.108 326 1HG1 ILE 53 2HG1 ILE 53 -0.753 -6.645 5.263 327 2HG1 ILE 53 1HG1 ILE 53 -2.320 -5.867 5.372 328 1HG2 ILE 53 1HG2 ILE 53 -1.129 -2.654 6.734 329 2HG2 ILE 53 2HG2 ILE 53 -2.511 -3.527 6.054 330 3HG2 ILE 53 3HG2 ILE 53 -1.255 -2.910 4.992 331 1HD1 ILE 53 1HD1 ILE 53 -1.647 -4.407 3.477 332 2HD1 ILE 53 2HD1 ILE 53 -1.783 -6.098 3.096 333 3HD1 ILE 53 3HD1 ILE 53 -0.172 -5.374 3.308 334 H LEU 54 H LEU 54 2.708 -2.634 5.811 335 HA LEU 54 HA LEU 54 2.182 -1.931 8.612 336 1HB LEU 54 2HB LEU 54 4.831 -1.673 7.181 337 2HB LEU 54 1HB LEU 54 4.511 -1.241 8.844 338 HG LEU 54 HG LEU 54 4.711 -3.988 7.636 339 1HD1 LEU 54 1HD1 LEU 54 6.434 -4.292 9.330 340 2HD1 LEU 54 2HD1 LEU 54 6.193 -2.627 9.862 341 3HD1 LEU 54 3HD1 LEU 54 6.791 -2.957 8.235 342 1HD2 LEU 54 1HD2 LEU 54 4.156 -4.917 9.840 343 2HD2 LEU 54 2HD2 LEU 54 2.806 -4.064 9.119 344 3HD2 LEU 54 3HD2 LEU 54 3.738 -3.297 10.417 345 H ILE 55 H ILE 55 1.980 0.182 9.155 346 HA ILE 55 HA ILE 55 1.550 2.039 6.974 347 HB ILE 55 HB ILE 55 0.867 2.256 9.938 348 1HG1 ILE 55 2HG1 ILE 55 -0.982 1.691 7.596 349 2HG1 ILE 55 1HG1 ILE 55 -0.441 0.489 8.770 350 1HG2 ILE 55 1HG2 ILE 55 -0.525 4.176 9.275 351 2HG2 ILE 55 2HG2 ILE 55 0.049 4.006 7.616 352 3HG2 ILE 55 3HG2 ILE 55 1.180 4.439 8.897 353 1HD1 ILE 55 1HD1 ILE 55 -1.611 1.727 10.531 354 2HD1 ILE 55 2HD1 ILE 55 -2.702 1.254 9.229 355 3HD1 ILE 55 3HD1 ILE 55 -2.132 2.918 9.339 356 H ARG 56 H ARG 56 2.815 3.677 6.739 357 HA ARG 56 HA ARG 56 4.940 4.334 8.665 358 1HB ARG 56 2HB ARG 56 5.216 4.060 5.687 359 2HB ARG 56 1HB ARG 56 6.453 4.675 6.759 360 1HG ARG 56 2HG ARG 56 5.344 1.887 7.049 361 2HG ARG 56 1HG ARG 56 6.757 2.261 6.068 362 1HD ARG 56 2HD ARG 56 7.412 1.444 8.280 363 2HD ARG 56 1HD ARG 56 7.919 3.109 8.050 364 HE ARG 56 HE ARG 56 5.392 2.930 9.347 365 1HH1 ARG 56 1HH1 ARG 56 8.788 2.311 10.068 366 2HH1 ARG 56 2HH1 ARG 56 8.748 3.056 11.599 367 1HH2 ARG 56 1HH2 ARG 56 5.307 3.907 11.467 368 2HH2 ARG 56 2HH2 ARG 56 6.695 3.899 12.454 369 H GLU 57 H GLU 57 6.020 6.384 7.883 370 HA GLU 57 HA GLU 57 3.923 8.374 7.504 371 1HB GLU 57 2HB GLU 57 6.843 8.720 8.224 372 2HB GLU 57 1HB GLU 57 5.752 10.062 7.938 373 1HG GLU 57 2HG GLU 57 5.942 9.828 10.273 374 2HG GLU 57 1HG GLU 57 4.359 9.198 9.839 375 H CYS 58 H CYS 58 4.505 10.296 6.093 376 HA CYS 58 HA CYS 58 5.422 9.268 3.525 377 1HB CYS 58 2HB CYS 58 4.057 11.122 2.610 378 2HB CYS 58 1HB CYS 58 3.124 9.970 3.560 379 H SER 59 H SER 59 7.463 9.843 3.051 380 HA SER 59 HA SER 59 8.756 12.062 4.250 381 1HB SER 59 2HB SER 59 10.608 11.302 2.735 382 2HB SER 59 1HB SER 59 9.974 10.083 3.850 383 HG SER 59 HG SER 59 10.219 9.754 1.343 384 H ASP 60 H ASP 60 7.017 11.687 1.159 385 HA ASP 60 HA ASP 60 8.428 14.078 0.214 386 1HB ASP 60 2HB ASP 60 7.134 11.934 -1.494 387 2HB ASP 60 1HB ASP 60 7.926 13.383 -2.094 388 H VAL 61 H VAL 61 5.607 12.798 -1.376 389 HA VAL 61 HA VAL 61 4.190 15.118 -0.419 390 HB VAL 61 HB VAL 61 3.285 13.046 -2.459 391 1HG1 VAL 61 1HG1 VAL 61 1.504 14.641 -3.004 392 2HG1 VAL 61 2HG1 VAL 61 2.052 15.695 -1.701 393 3HG1 VAL 61 3HG1 VAL 61 1.400 14.100 -1.328 394 1HG2 VAL 61 1HG2 VAL 61 5.151 14.374 -3.302 395 2HG2 VAL 61 2HG2 VAL 61 4.289 15.855 -2.857 396 3HG2 VAL 61 3HG2 VAL 61 3.641 14.806 -4.114 397 H GLN 62 H GLN 62 3.179 11.707 -0.877 398 HA GLN 62 HA GLN 62 2.521 11.563 1.786 399 1HB GLN 62 2HB GLN 62 0.836 13.278 1.042 400 2HB GLN 62 1HB GLN 62 0.059 12.042 0.083 401 1HG GLN 62 2HG GLN 62 0.303 12.041 3.091 402 2HG GLN 62 1HG GLN 62 -1.108 12.571 2.190 403 1HE2 GLN 62 1HE2 GLN 62 -2.285 11.001 1.078 404 2HE2 GLN 62 2HE2 GLN 62 -2.227 9.328 1.562 405 HA PRO 63 HA PRO 63 0.507 7.616 0.421 406 1HB PRO 63 2HB PRO 63 -0.795 7.423 -2.025 407 2HB PRO 63 1HB PRO 63 -1.560 7.835 -0.500 408 1HG PRO 63 2HG PRO 63 -1.216 9.498 -2.762 409 2HG PRO 63 1HG PRO 63 -1.790 9.986 -1.160 410 1HD PRO 63 2HD PRO 63 0.913 10.270 -2.385 411 2HD PRO 63 1HD PRO 63 0.118 11.283 -1.161 412 H LYS 64 H LYS 64 2.943 7.430 -0.075 413 HA LYS 64 HA LYS 64 3.302 6.104 -2.741 414 1HB LYS 64 2HB LYS 64 5.438 6.437 -0.586 415 2HB LYS 64 1HB LYS 64 5.675 5.868 -2.214 416 1HG LYS 64 2HG LYS 64 6.641 7.916 -2.025 417 2HG LYS 64 1HG LYS 64 5.170 8.245 -2.976 418 1HD LYS 64 2HD LYS 64 5.149 10.038 -1.320 419 2HD LYS 64 1HD LYS 64 4.220 8.665 -0.774 420 1HE LYS 64 2HE LYS 64 5.828 9.710 0.948 421 2HE LYS 64 1HE LYS 64 5.805 7.957 0.783 422 1HZ LYS 64 1HZ LYS 64 7.825 8.036 -0.508 423 2HZ LYS 64 2HZ LYS 64 8.108 8.908 0.892 424 3HZ LYS 64 3HZ LYS 64 7.884 9.706 -0.550 425 H LEU 65 H LEU 65 3.741 4.006 -2.885 426 HA LEU 65 HA LEU 65 3.366 2.548 -0.364 427 1HB LEU 65 2HB LEU 65 2.392 2.201 -3.039 428 2HB LEU 65 1HB LEU 65 2.970 0.726 -2.319 429 HG LEU 65 HG LEU 65 0.491 1.025 -1.927 430 1HD1 LEU 65 1HD1 LEU 65 1.830 -0.379 -0.457 431 2HD1 LEU 65 2HD1 LEU 65 0.554 0.444 0.437 432 3HD1 LEU 65 3HD1 LEU 65 2.219 1.025 0.538 433 1HD2 LEU 65 1HD2 LEU 65 -0.229 2.632 -0.223 434 2HD2 LEU 65 2HD2 LEU 65 0.450 3.454 -1.629 435 3HD2 LEU 65 3HD2 LEU 65 1.403 3.297 -0.154 436 H TRP 66 H TRP 66 5.064 1.708 0.380 437 HA TRP 66 HA TRP 66 7.177 1.245 -1.442 438 1HB TRP 66 2HB TRP 66 8.026 2.219 0.547 439 2HB TRP 66 1HB TRP 66 7.010 1.219 1.584 440 HD1 TRP 66 HD TRP 66 8.053 -1.031 2.462 441 HE1 TRP 66 1HE TRP 66 10.241 -2.286 2.074 442 HE3 TRP 66 3HE TRP 66 9.843 1.864 -1.259 443 HZ2 TRP 66 2HZ TRP 66 12.500 -2.004 0.313 444 HZ3 TRP 66 3HZ TRP 66 11.988 1.326 -2.252 445 HH2 TRP 66 HH TRP 66 13.257 -0.497 -1.557 446 H ALA 67 H ALA 67 7.686 -0.794 -2.077 447 HA ALA 67 HA ALA 67 6.565 -3.103 -0.672 448 1HB ALA 67 1HB ALA 67 6.679 -2.663 -3.652 449 2HB ALA 67 2HB ALA 67 5.218 -2.723 -2.661 450 3HB ALA 67 3HB ALA 67 6.212 -4.165 -2.857 451 H ARG 68 H ARG 68 8.085 -4.707 -0.389 452 HA ARG 68 HA ARG 68 10.378 -4.640 -2.115 453 1HB ARG 68 2HB ARG 68 10.937 -3.788 0.265 454 2HB ARG 68 1HB ARG 68 10.534 -5.414 0.809 455 1HG ARG 68 2HG ARG 68 12.824 -5.526 0.552 456 2HG ARG 68 1HG ARG 68 12.199 -6.168 -0.981 457 1HD ARG 68 2HD ARG 68 12.404 -3.660 -1.791 458 2HD ARG 68 1HD ARG 68 13.453 -3.513 -0.420 459 HE ARG 68 HE ARG 68 14.096 -5.742 -2.084 460 1HH1 ARG 68 1HH1 ARG 68 14.883 -2.384 -1.215 461 2HH1 ARG 68 2HH1 ARG 68 16.165 -2.268 -2.300 462 1HH2 ARG 68 1HH2 ARG 68 15.861 -5.563 -3.584 463 2HH2 ARG 68 2HH2 ARG 68 16.776 -4.127 -3.646 464 H TYR 69 H TYR 69 9.727 -6.062 -3.163 465 HA TYR 69 HA TYR 69 8.087 -8.300 -2.398 466 1HB TYR 69 2HB TYR 69 9.671 -8.219 -4.983 467 2HB TYR 69 1HB TYR 69 8.161 -9.049 -4.668 468 HD1 TYR 69 1HD TYR 69 9.687 -6.205 -6.058 469 HD2 TYR 69 2HD TYR 69 6.089 -7.465 -4.175 470 HE1 TYR 69 1HE TYR 69 8.512 -4.295 -7.032 471 HE2 TYR 69 2HE TYR 69 4.927 -5.593 -5.123 472 HH TYR 69 HH TYR 69 6.207 -3.697 -7.622 473 H ALA 70 H ALA 70 8.869 -10.655 -3.147 474 HA ALA 70 HA ALA 70 11.555 -11.132 -2.031 475 1HB ALA 70 1HB ALA 70 9.639 -12.371 -0.974 476 2HB ALA 70 2HB ALA 70 10.829 -13.441 -1.715 477 3HB ALA 70 3HB ALA 70 9.307 -13.106 -2.542 478 H PHE 71 H PHE 71 10.000 -10.780 -4.903 479 HA PHE 71 HA PHE 71 11.846 -12.227 -6.506 480 1HB PHE 71 2HB PHE 71 10.682 -9.470 -7.092 481 2HB PHE 71 1HB PHE 71 11.325 -10.601 -8.271 482 HD1 PHE 71 1HD PHE 71 8.424 -9.236 -7.044 483 HD2 PHE 71 2HD PHE 71 10.062 -13.013 -8.112 484 HE1 PHE 71 1HE PHE 71 6.152 -10.117 -7.390 485 HE2 PHE 71 2HE PHE 71 7.795 -13.902 -8.460 486 HZ PHE 71 HZ PHE 71 5.838 -12.453 -8.099 487 H GLY 72 H GLY 72 12.004 -9.707 -4.326 488 1HA GLY 72 2HA GLY 72 13.749 -8.859 -3.263 489 2HA GLY 72 1HA GLY 72 14.829 -9.497 -4.477 490 H GLN 73 H GLN 73 12.268 -7.928 -5.810 491 HA GLN 73 HA GLN 73 13.782 -5.512 -6.345 492 1HB GLN 73 2HB GLN 73 11.201 -6.540 -7.551 493 2HB GLN 73 1HB GLN 73 12.050 -5.084 -8.063 494 1HG GLN 73 2HG GLN 73 14.012 -6.502 -8.633 495 2HG GLN 73 1HG GLN 73 13.043 -7.920 -8.257 496 1HE2 GLN 73 1HE2 GLN 73 10.567 -6.789 -9.446 497 2HE2 GLN 73 2HE2 GLN 73 10.837 -6.820 -11.126 498 H GLU 74 H GLU 74 12.433 -3.419 -6.335 499 HA GLU 74 HA GLU 74 10.562 -3.497 -4.102 500 1HB GLU 74 2HB GLU 74 11.611 -1.644 -3.069 501 2HB GLU 74 1HB GLU 74 12.859 -2.836 -3.373 502 1HG GLU 74 2HG GLU 74 12.343 -0.417 -5.076 503 2HG GLU 74 1HG GLU 74 13.540 -0.475 -3.792 504 H THR 75 H THR 75 9.466 -1.332 -3.914 505 HA THR 75 HA THR 75 9.536 0.403 -6.118 506 HB THR 75 HB THR 75 7.845 -1.617 -6.687 507 HG1 THR 75 1HG THR 75 7.617 -0.205 -8.192 508 1HG2 THR 75 1HG2 THR 75 6.107 0.238 -5.031 509 2HG2 THR 75 2HG2 THR 75 6.516 -1.425 -4.611 510 3HG2 THR 75 3HG2 THR 75 5.522 -1.092 -6.030 511 H ASN 76 H ASN 76 8.575 2.349 -5.479 512 HA ASN 76 HA ASN 76 7.400 2.515 -2.851 513 1HB ASN 76 2HB ASN 76 9.073 4.511 -2.368 514 2HB ASN 76 1HB ASN 76 9.555 2.865 -2.010 515 1HD2 ASN 76 1HD2 ASN 76 11.434 1.973 -3.085 516 2HD2 ASN 76 2HD2 ASN 76 12.321 2.899 -4.216 517 H VAL 77 H VAL 77 5.515 3.239 -3.687 518 HA VAL 77 HA VAL 77 5.878 5.677 -5.268 519 HB VAL 77 HB VAL 77 6.236 4.423 -6.555 520 1HG1 VAL 77 1HG1 VAL 77 4.685 2.414 -7.557 521 2HG1 VAL 77 2HG1 VAL 77 3.668 2.774 -6.163 522 3HG1 VAL 77 3HG1 VAL 77 5.317 2.198 -5.924 523 1HG2 VAL 77 1HG2 VAL 77 3.470 5.265 -7.355 524 2HG2 VAL 77 2HG2 VAL 77 4.538 4.568 -8.574 525 3HG2 VAL 77 3HG2 VAL 77 5.014 6.038 -7.724 526 HA PRO 78 HA PRO 78 2.301 7.866 -3.930 527 1HB PRO 78 2HB PRO 78 3.004 9.121 -6.521 528 2HB PRO 78 1HB PRO 78 2.743 9.871 -4.941 529 1HG PRO 78 2HG PRO 78 5.186 9.610 -5.961 530 2HG PRO 78 1HG PRO 78 4.877 9.417 -4.224 531 1HD PRO 78 2HD PRO 78 5.410 7.300 -6.278 532 2HD PRO 78 1HD PRO 78 5.814 7.283 -4.558 533 H LEU 79 H LEU 79 0.728 6.705 -4.138 534 HA LEU 79 HA LEU 79 -0.286 6.226 -6.801 535 1HB LEU 79 2HB LEU 79 -1.254 4.118 -5.883 536 2HB LEU 79 1HB LEU 79 0.500 4.389 -5.745 537 HG LEU 79 HG LEU 79 0.538 4.447 -3.486 538 1HD1 LEU 79 1HD1 LEU 79 -1.433 5.889 -3.038 539 2HD1 LEU 79 2HD1 LEU 79 -1.426 4.442 -2.033 540 3HD1 LEU 79 3HD1 LEU 79 -2.491 4.536 -3.437 541 1HD2 LEU 79 1HD2 LEU 79 0.266 2.275 -4.473 542 2HD2 LEU 79 2HD2 LEU 79 -1.489 2.416 -4.369 543 3HD2 LEU 79 3HD2 LEU 79 -0.522 2.336 -2.896 544 H ASN 80 H ASN 80 -0.573 8.511 -5.418 545 HA ASN 80 HA ASN 80 -2.835 9.139 -3.993 546 1HB ASN 80 2HB ASN 80 -1.148 10.783 -4.422 547 2HB ASN 80 1HB ASN 80 -1.449 10.755 -6.140 548 1HD2 ASN 80 1HD2 ASN 80 -3.785 11.041 -3.423 549 2HD2 ASN 80 2HD2 ASN 80 -4.386 12.568 -3.928 550 H ASN 81 H ASN 81 -2.782 8.278 -7.235 551 HA ASN 81 HA ASN 81 -5.421 9.432 -7.893 552 1HB ASN 81 2HB ASN 81 -3.554 7.841 -9.660 553 2HB ASN 81 1HB ASN 81 -5.030 8.631 -10.181 554 1HD2 ASN 81 1HD2 ASN 81 -2.271 8.936 -11.028 555 2HD2 ASN 81 2HD2 ASN 81 -1.883 10.604 -10.867 556 H PHE 82 H PHE 82 -4.787 6.735 -6.217 557 HA PHE 82 HA PHE 82 -6.702 5.144 -7.715 558 1HB PHE 82 2HB PHE 82 -4.477 4.249 -5.887 559 2HB PHE 82 1HB PHE 82 -5.732 3.189 -6.505 560 HD1 PHE 82 1HD PHE 82 -2.741 5.130 -7.346 561 HD2 PHE 82 2HD PHE 82 -5.701 2.435 -8.775 562 HE1 PHE 82 1HE PHE 82 -1.360 4.674 -9.321 563 HE2 PHE 82 2HE PHE 82 -4.325 1.973 -10.759 564 HZ PHE 82 HZ PHE 82 -2.152 3.093 -11.035 565 H SER 83 H SER 83 -8.246 4.201 -6.690 566 HA SER 83 HA SER 83 -9.046 5.310 -4.108 567 1HB SER 83 2HB SER 83 -10.577 5.443 -6.086 568 2HB SER 83 1HB SER 83 -10.716 3.686 -6.043 569 HG SER 83 HG SER 83 -12.346 5.059 -4.930 570 H ALA 84 H ALA 84 -10.648 3.553 -2.983 571 HA ALA 84 HA ALA 84 -9.156 2.094 -1.258 572 1HB ALA 84 1HB ALA 84 -11.990 1.575 -2.097 573 2HB ALA 84 2HB ALA 84 -11.377 2.673 -0.838 574 3HB ALA 84 3HB ALA 84 -11.216 0.935 -0.642 575 H ASP 85 H ASP 85 -11.190 0.583 -3.823 576 HA ASP 85 HA ASP 85 -10.245 -2.093 -3.427 577 1HB ASP 85 2HB ASP 85 -12.459 -1.291 -4.458 578 2HB ASP 85 1HB ASP 85 -11.536 -1.030 -5.894 579 H GLN 86 H GLN 86 -9.839 0.286 -5.833 580 HA GLN 86 HA GLN 86 -7.912 -0.895 -7.502 581 1HB GLN 86 2HB GLN 86 -8.405 1.968 -6.809 582 2HB GLN 86 1HB GLN 86 -7.000 1.526 -7.769 583 1HG GLN 86 2HG GLN 86 -9.833 0.823 -8.468 584 2HG GLN 86 1HG GLN 86 -8.951 2.211 -9.109 585 1HE2 GLN 86 1HE2 GLN 86 -6.437 0.775 -9.210 586 2HE2 GLN 86 2HE2 GLN 86 -6.503 -0.305 -10.538 587 H VAL 87 H VAL 87 -7.062 1.065 -4.655 588 HA VAL 87 HA VAL 87 -4.363 0.443 -5.045 589 HB VAL 87 HB VAL 87 -3.980 1.081 -2.615 590 1HG1 VAL 87 1HG1 VAL 87 -3.872 2.751 -4.397 591 2HG1 VAL 87 2HG1 VAL 87 -4.525 3.416 -2.892 592 3HG1 VAL 87 3HG1 VAL 87 -5.611 3.015 -4.216 593 1HG2 VAL 87 1HG2 VAL 87 -6.922 1.631 -2.697 594 2HG2 VAL 87 2HG2 VAL 87 -5.810 2.121 -1.417 595 3HG2 VAL 87 3HG2 VAL 87 -6.112 0.409 -1.720 596 H THR 88 H THR 88 -6.824 -1.257 -3.140 597 HA THR 88 HA THR 88 -4.898 -3.053 -2.081 598 HB THR 88 HB THR 88 -6.895 -4.501 -1.500 599 HG1 THR 88 1HG THR 88 -8.390 -2.239 -2.347 600 1HG2 THR 88 1HG2 THR 88 -7.706 -2.927 0.153 601 2HG2 THR 88 2HG2 THR 88 -6.955 -1.603 -0.737 602 3HG2 THR 88 3HG2 THR 88 -5.953 -2.851 0.007 603 H ARG 89 H ARG 89 -6.897 -3.287 -4.771 604 HA ARG 89 HA ARG 89 -6.156 -6.001 -5.438 605 1HB ARG 89 2HB ARG 89 -8.367 -4.902 -6.005 606 2HB ARG 89 1HB ARG 89 -7.514 -3.977 -7.224 607 1HG ARG 89 2HG ARG 89 -6.977 -5.994 -8.432 608 2HG ARG 89 1HG ARG 89 -7.709 -6.978 -7.158 609 1HD ARG 89 2HD ARG 89 -9.094 -5.039 -9.011 610 2HD ARG 89 1HD ARG 89 -9.306 -6.788 -8.932 611 HE ARG 89 HE ARG 89 -10.450 -4.786 -7.154 612 1HH1 ARG 89 1HH1 ARG 89 -9.940 -8.276 -7.705 613 2HH1 ARG 89 2HH1 ARG 89 -11.053 -8.721 -6.503 614 1HH2 ARG 89 1HH2 ARG 89 -11.959 -5.435 -5.569 615 2HH2 ARG 89 2HH2 ARG 89 -12.233 -7.098 -5.245 616 H ALA 90 H ALA 90 -5.284 -2.770 -6.709 617 HA ALA 90 HA ALA 90 -3.380 -3.799 -8.600 618 1HB ALA 90 1HB ALA 90 -2.462 -1.560 -8.684 619 2HB ALA 90 2HB ALA 90 -3.317 -1.109 -7.209 620 3HB ALA 90 3HB ALA 90 -4.222 -1.450 -8.685 621 H LEU 91 H LEU 91 -3.121 -3.017 -5.108 622 HA LEU 91 HA LEU 91 -0.386 -3.514 -4.915 623 1HB LEU 91 2HB LEU 91 -2.577 -3.953 -2.805 624 2HB LEU 91 1HB LEU 91 -1.118 -4.797 -2.717 625 HG LEU 91 HG LEU 91 0.276 -2.943 -2.465 626 1HD1 LEU 91 1HD1 LEU 91 -2.072 -1.140 -2.961 627 2HD1 LEU 91 2HD1 LEU 91 -0.711 -1.401 -4.050 628 3HD1 LEU 91 3HD1 LEU 91 -0.451 -0.633 -2.483 629 1HD2 LEU 91 1HD2 LEU 91 -0.591 -1.934 -0.424 630 2HD2 LEU 91 2HD2 LEU 91 -0.872 -3.675 -0.470 631 3HD2 LEU 91 3HD2 LEU 91 -2.197 -2.558 -0.800 632 H GLU 92 H GLU 92 -3.054 -5.782 -4.710 633 HA GLU 92 HA GLU 92 -1.406 -8.077 -4.528 634 1HB GLU 92 2HB GLU 92 -3.970 -8.060 -4.191 635 2HB GLU 92 1HB GLU 92 -4.074 -7.906 -5.915 636 1HG GLU 92 2HG GLU 92 -2.812 -10.038 -6.182 637 2HG GLU 92 1HG GLU 92 -2.982 -10.278 -4.445 638 H ASN 93 H ASN 93 -2.704 -6.576 -7.341 639 HA ASN 93 HA ASN 93 -1.648 -8.194 -9.294 640 1HB ASN 93 2HB ASN 93 -2.198 -5.284 -9.067 641 2HB ASN 93 1HB ASN 93 -1.535 -5.790 -10.576 642 1HD2 ASN 93 1HD2 ASN 93 -3.988 -4.585 -10.314 643 2HD2 ASN 93 2HD2 ASN 93 -5.231 -5.740 -10.673 644 H VAL 94 H VAL 94 -0.166 -5.213 -8.057 645 HA VAL 94 HA VAL 94 2.243 -5.601 -9.357 646 HB VAL 94 HB VAL 94 3.264 -4.147 -7.798 647 1HG1 VAL 94 1HG1 VAL 94 0.770 -3.122 -9.233 648 2HG1 VAL 94 2HG1 VAL 94 2.381 -3.281 -9.931 649 3HG1 VAL 94 3HG1 VAL 94 2.066 -2.047 -8.709 650 1HG2 VAL 94 1HG2 VAL 94 1.870 -2.589 -6.401 651 2HG2 VAL 94 2HG2 VAL 94 1.983 -4.254 -5.830 652 3HG2 VAL 94 3HG2 VAL 94 0.528 -3.704 -6.658 653 H LEU 95 H LEU 95 1.346 -6.529 -6.142 654 HA LEU 95 HA LEU 95 4.111 -7.145 -5.984 655 1HB LEU 95 2HB LEU 95 3.852 -7.396 -3.521 656 2HB LEU 95 1HB LEU 95 3.520 -5.829 -4.234 657 HG LEU 95 HG LEU 95 1.118 -6.412 -4.145 658 1HD1 LEU 95 1HD1 LEU 95 0.297 -7.981 -2.510 659 2HD1 LEU 95 2HD1 LEU 95 1.939 -8.560 -2.206 660 3HD1 LEU 95 3HD1 LEU 95 1.189 -8.789 -3.793 661 1HD2 LEU 95 1HD2 LEU 95 2.057 -4.794 -2.706 662 2HD2 LEU 95 2HD2 LEU 95 2.612 -6.040 -1.591 663 3HD2 LEU 95 3HD2 LEU 95 0.883 -5.750 -1.803 664 H SER 96 H SER 96 1.304 -8.886 -6.245 665 HA SER 96 HA SER 96 2.710 -11.090 -5.208 666 1HB SER 96 2HB SER 96 0.124 -11.151 -6.807 667 2HB SER 96 1HB SER 96 0.794 -12.504 -5.889 668 HG SER 96 HG SER 96 -0.530 -10.262 -5.096 669 H GLY 97 H GLY 97 2.269 -9.490 -8.352 670 1HA GLY 97 2HA GLY 97 4.678 -10.672 -9.134 671 2HA GLY 97 1HA GLY 97 3.367 -11.590 -9.843 672 H LYS 98 H LYS 98 3.714 -8.033 -9.361 673 HA LYS 98 HA LYS 98 3.319 -8.011 -12.309 674 1HB LYS 98 2HB LYS 98 1.898 -6.541 -10.668 675 2HB LYS 98 1HB LYS 98 3.302 -5.524 -10.659 676 1HG LYS 98 2HG LYS 98 1.858 -6.226 -13.213 677 2HG LYS 98 1HG LYS 98 1.472 -4.814 -12.242 678 1HD LYS 98 2HD LYS 98 3.794 -4.009 -12.568 679 2HD LYS 98 1HD LYS 98 4.109 -5.415 -13.588 680 1HE LYS 98 2HE LYS 98 2.429 -4.687 -15.170 681 2HE LYS 98 1HE LYS 98 1.977 -3.346 -14.121 682 1HZ LYS 98 1HZ LYS 98 3.369 -2.501 -15.820 683 2HZ LYS 98 2HZ LYS 98 4.551 -3.678 -15.601 684 3HZ LYS 98 3HZ LYS 98 4.291 -2.513 -14.404 685 H ALA 99 H ALA 99 5.084 -6.579 -9.931 686 HA ALA 99 HA ALA 99 7.114 -5.649 -11.809 687 1HB ALA 99 1HB ALA 99 6.336 -4.112 -10.065 688 2HB ALA 99 2HB ALA 99 8.076 -4.390 -9.970 689 3HB ALA 99 3HB ALA 99 6.987 -5.190 -8.833 Start of MODEL 8 1 H GLY 15 H GLY 15 2.663 -10.633 -1.861 2 1HA GLY 15 1HA GLY 15 4.105 -12.743 -3.364 3 2HA GLY 15 2HA GLY 15 3.359 -11.335 -4.115 4 H LEU 16 H LEU 16 4.722 -10.832 -0.945 5 HA LEU 16 HA LEU 16 7.240 -10.206 -1.862 6 1HB LEU 16 2HB LEU 16 7.057 -7.721 -1.238 7 2HB LEU 16 1HB LEU 16 6.625 -8.252 -2.836 8 HG LEU 16 HG LEU 16 4.296 -7.865 -2.414 9 1HD1 LEU 16 1HD1 LEU 16 5.088 -7.173 0.422 10 2HD1 LEU 16 2HD1 LEU 16 4.197 -8.624 -0.062 11 3HD1 LEU 16 3HD1 LEU 16 3.483 -7.024 -0.293 12 1HD2 LEU 16 1HD2 LEU 16 5.649 -5.979 -2.993 13 2HD2 LEU 16 2HD2 LEU 16 5.980 -5.668 -1.288 14 3HD2 LEU 16 3HD2 LEU 16 4.339 -5.509 -1.914 15 H ARG 17 H ARG 17 8.313 -8.724 -0.171 16 HA ARG 17 HA ARG 17 8.018 -10.262 2.249 17 1HB ARG 17 2HB ARG 17 10.179 -8.509 1.148 18 2HB ARG 17 1HB ARG 17 10.245 -9.251 2.746 19 1HG ARG 17 2HG ARG 17 9.682 -10.810 0.330 20 2HG ARG 17 1HG ARG 17 11.348 -10.534 0.697 21 1HD ARG 17 2HD ARG 17 10.703 -11.485 3.050 22 2HD ARG 17 1HD ARG 17 9.196 -11.973 2.275 23 HE ARG 17 HE ARG 17 11.857 -12.866 1.440 24 1HH1 ARG 17 1HH1 ARG 17 8.417 -13.546 2.072 25 2HH1 ARG 17 2HH1 ARG 17 8.494 -15.162 1.571 26 1HH2 ARG 17 1HH2 ARG 17 11.967 -15.090 0.739 27 2HH2 ARG 17 2HH2 ARG 17 10.560 -16.087 0.833 28 H GLU 18 H GLU 18 7.666 -7.041 1.028 29 HA GLU 18 HA GLU 18 6.057 -6.503 3.342 30 1HB GLU 18 2HB GLU 18 7.247 -4.243 3.751 31 2HB GLU 18 1HB GLU 18 7.718 -5.681 4.688 32 1HG GLU 18 2HG GLU 18 9.229 -4.865 2.205 33 2HG GLU 18 1HG GLU 18 9.341 -3.886 3.640 34 H ILE 19 H ILE 19 4.405 -4.972 3.160 35 HA ILE 19 HA ILE 19 4.929 -2.880 1.241 36 HB ILE 19 HB ILE 19 2.391 -4.324 1.880 37 1HG1 ILE 19 2HG1 ILE 19 3.631 -4.868 -0.160 38 2HG1 ILE 19 1HG1 ILE 19 2.026 -4.240 -0.517 39 1HG2 ILE 19 1HG2 ILE 19 1.006 -2.493 0.922 40 2HG2 ILE 19 2HG2 ILE 19 2.436 -1.462 0.883 41 3HG2 ILE 19 3HG2 ILE 19 1.797 -2.019 2.429 42 1HD1 ILE 19 1HD1 ILE 19 2.991 -2.059 -1.030 43 2HD1 ILE 19 2HD1 ILE 19 3.687 -3.333 -2.034 44 3HD1 ILE 19 3HD1 ILE 19 4.599 -2.688 -0.670 45 H ARG 20 H ARG 20 5.451 -1.325 2.190 46 HA ARG 20 HA ARG 20 4.305 -0.632 4.796 47 1HB ARG 20 2HB ARG 20 6.990 0.032 3.607 48 2HB ARG 20 1HB ARG 20 6.314 0.959 4.941 49 1HG ARG 20 2HG ARG 20 6.229 -1.033 6.309 50 2HG ARG 20 1HG ARG 20 6.841 -2.000 4.969 51 1HD ARG 20 2HD ARG 20 8.966 -0.978 5.070 52 2HD ARG 20 1HD ARG 20 8.368 0.343 6.081 53 HE ARG 20 HE ARG 20 8.294 -1.080 7.912 54 1HH1 ARG 20 1HH1 ARG 20 9.812 -2.677 5.121 55 2HH1 ARG 20 2HH1 ARG 20 10.311 -4.035 5.990 56 1HH2 ARG 20 1HH2 ARG 20 9.140 -2.831 9.122 57 2HH2 ARG 20 2HH2 ARG 20 9.919 -4.148 8.357 58 H ILE 21 H ILE 21 2.668 0.612 4.429 59 HA ILE 21 HA ILE 21 2.496 2.321 2.130 60 HB ILE 21 HB ILE 21 1.007 3.316 4.200 61 1HG1 ILE 21 2HG1 ILE 21 0.319 0.387 3.834 62 2HG1 ILE 21 1HG1 ILE 21 1.184 1.040 5.225 63 1HG2 ILE 21 1HG2 ILE 21 -0.941 2.703 2.655 64 2HG2 ILE 21 2HG2 ILE 21 0.220 1.792 1.687 65 3HG2 ILE 21 3HG2 ILE 21 0.393 3.539 1.863 66 1HD1 ILE 21 1HD1 ILE 21 -1.149 0.743 5.754 67 2HD1 ILE 21 2HD1 ILE 21 -1.598 1.750 4.367 68 3HD1 ILE 21 3HD1 ILE 21 -0.718 2.459 5.719 69 H HIS 22 H HIS 22 3.475 4.093 2.068 70 HA HIS 22 HA HIS 22 4.385 5.352 4.557 71 1HB HIS 22 2HB HIS 22 4.883 6.142 1.664 72 2HB HIS 22 1HB HIS 22 5.509 7.009 3.043 73 HD1 HIS 22 1HD HIS 22 7.247 5.747 0.694 74 HD2 HIS 22 2HD HIS 22 6.683 4.113 4.490 75 HE1 HIS 22 1HE HIS 22 9.217 4.304 1.103 76 HE2 HIS 22 2HE HIS 22 9.072 3.795 3.511 77 H LEU 23 H LEU 23 2.989 6.704 5.462 78 HA LEU 23 HA LEU 23 0.752 7.669 3.865 79 1HB LEU 23 2HB LEU 23 1.087 7.221 6.808 80 2HB LEU 23 1HB LEU 23 -0.345 7.921 6.078 81 HG LEU 23 HG LEU 23 0.721 5.135 5.736 82 1HD1 LEU 23 1HD1 LEU 23 -0.609 5.514 7.722 83 2HD1 LEU 23 2HD1 LEU 23 -1.487 4.510 6.564 84 3HD1 LEU 23 3HD1 LEU 23 -1.898 6.215 6.744 85 1HD2 LEU 23 1HD2 LEU 23 -1.492 6.496 4.208 86 2HD2 LEU 23 2HD2 LEU 23 -1.113 4.775 4.150 87 3HD2 LEU 23 3HD2 LEU 23 0.052 5.957 3.549 88 H CYS 24 H CYS 24 0.221 9.355 6.392 89 HA CYS 24 HA CYS 24 0.480 11.334 7.295 90 1HB CYS 24 2HB CYS 24 2.858 11.793 5.504 91 2HB CYS 24 1HB CYS 24 2.252 12.950 6.670 92 H GLN 25 H GLN 25 -1.457 11.874 6.535 93 HA GLN 25 HA GLN 25 -1.962 13.135 4.074 94 1HB GLN 25 2HB GLN 25 -3.794 12.466 5.575 95 2HB GLN 25 1HB GLN 25 -3.215 13.564 6.813 96 1HG GLN 25 2HG GLN 25 -5.212 14.412 5.695 97 2HG GLN 25 1HG GLN 25 -3.831 15.474 5.456 98 1HE2 GLN 25 1HE2 GLN 25 -6.027 13.252 3.951 99 2HE2 GLN 25 2HE2 GLN 25 -5.636 13.665 2.323 100 H ARG 26 H ARG 26 -0.759 14.743 3.365 101 HA ARG 26 HA ARG 26 0.013 16.923 5.152 102 1HB ARG 26 2HB ARG 26 1.687 14.853 5.000 103 2HB ARG 26 1HB ARG 26 2.106 15.570 3.463 104 1HG ARG 26 2HG ARG 26 2.306 16.968 6.124 105 2HG ARG 26 1HG ARG 26 3.629 16.126 5.333 106 1HD ARG 26 2HD ARG 26 3.438 17.686 3.437 107 2HD ARG 26 1HD ARG 26 2.155 18.536 4.301 108 HE ARG 26 HE ARG 26 4.375 18.329 5.969 109 1HH1 ARG 26 1HH1 ARG 26 3.378 20.071 3.033 110 2HH1 ARG 26 2HH1 ARG 26 4.425 21.378 3.274 111 1HH2 ARG 26 1HH2 ARG 26 5.802 20.175 6.327 112 2HH2 ARG 26 2HH2 ARG 26 5.816 21.449 5.188 113 H SER 27 H SER 27 0.949 15.610 2.022 114 HA SER 27 HA SER 27 0.163 18.080 0.682 115 1HB SER 27 2HB SER 27 1.789 15.672 -0.149 116 2HB SER 27 1HB SER 27 1.570 17.126 -1.139 117 HG SER 27 HG SER 27 3.360 16.649 0.798 118 HA PRO 28 HA PRO 28 -3.266 16.357 -1.918 119 1HB PRO 28 2HB PRO 28 -1.171 15.295 -3.788 120 2HB PRO 28 1HB PRO 28 -2.743 16.020 -4.169 121 1HG PRO 28 2HG PRO 28 -0.449 17.424 -4.289 122 2HG PRO 28 1HG PRO 28 -1.985 18.162 -3.811 123 1HD PRO 28 2HD PRO 28 0.399 17.642 -2.195 124 2HD PRO 28 1HD PRO 28 -1.010 18.650 -1.817 125 H GLY 29 H GLY 29 -3.992 14.794 -0.608 126 1HA GLY 29 2HA GLY 29 -2.617 12.226 -0.541 127 2HA GLY 29 1HA GLY 29 -3.811 12.797 0.612 128 H SER 30 H SER 30 -4.309 10.446 0.001 129 HA SER 30 HA SER 30 -6.180 10.542 -2.199 130 1HB SER 30 2HB SER 30 -4.556 8.210 -1.235 131 2HB SER 30 1HB SER 30 -5.827 8.126 -2.458 132 HG SER 30 HG SER 30 -4.645 9.107 -3.821 133 H GLN 31 H GLN 31 -8.024 9.858 -1.914 134 HA GLN 31 HA GLN 31 -9.034 9.480 0.781 135 1HB GLN 31 2HB GLN 31 -11.260 9.821 -0.335 136 2HB GLN 31 1HB GLN 31 -10.155 11.171 -0.557 137 1HG GLN 31 2HG GLN 31 -9.546 10.133 -2.776 138 2HG GLN 31 1HG GLN 31 -10.924 9.066 -2.544 139 1HE2 GLN 31 1HE2 GLN 31 -10.365 11.074 -4.550 140 2HE2 GLN 31 2HE2 GLN 31 -11.711 12.149 -4.537 141 H GLY 32 H GLY 32 -8.544 7.925 -2.274 142 1HA GLY 32 2HA GLY 32 -9.876 5.525 -1.656 143 2HA GLY 32 1HA GLY 32 -8.623 5.755 -2.877 144 H VAL 33 H VAL 33 -6.766 6.910 -0.909 145 HA VAL 33 HA VAL 33 -5.838 4.325 0.011 146 HB VAL 33 HB VAL 33 -4.089 6.086 -0.712 147 1HG1 VAL 33 1HG1 VAL 33 -4.870 8.018 0.513 148 2HG1 VAL 33 2HG1 VAL 33 -3.210 7.615 0.955 149 3HG1 VAL 33 3HG1 VAL 33 -4.538 7.200 2.040 150 1HG2 VAL 33 1HG2 VAL 33 -3.710 4.725 1.938 151 2HG2 VAL 33 2HG2 VAL 33 -2.417 5.351 0.912 152 3HG2 VAL 33 3HG2 VAL 33 -3.435 4.030 0.341 153 H ARG 34 H ARG 34 -6.788 7.308 1.616 154 HA ARG 34 HA ARG 34 -7.231 6.821 4.193 155 1HB ARG 34 2HB ARG 34 -8.191 8.711 2.900 156 2HB ARG 34 1HB ARG 34 -9.357 7.621 2.251 157 1HG ARG 34 2HG ARG 34 -10.124 7.111 4.587 158 2HG ARG 34 1HG ARG 34 -9.195 8.522 5.089 159 1HD ARG 34 2HD ARG 34 -10.511 9.976 3.799 160 2HD ARG 34 1HD ARG 34 -11.233 8.643 2.892 161 HE ARG 34 HE ARG 34 -11.687 9.185 5.729 162 1HH1 ARG 34 1HH1 ARG 34 -12.918 8.143 2.515 163 2HH1 ARG 34 2HH1 ARG 34 -14.407 7.613 3.093 164 1HH2 ARG 34 1HH2 ARG 34 -13.799 8.447 6.503 165 2HH2 ARG 34 2HH2 ARG 34 -14.934 7.789 5.404 166 H ASP 35 H ASP 35 -9.535 5.854 1.728 167 HA ASP 35 HA ASP 35 -11.174 4.138 3.244 168 1HB ASP 35 2HB ASP 35 -10.490 4.297 0.346 169 2HB ASP 35 1HB ASP 35 -11.455 2.970 0.848 170 H PHE 36 H PHE 36 -8.492 3.264 1.219 171 HA PHE 36 HA PHE 36 -8.426 0.649 1.928 172 1HB PHE 36 2HB PHE 36 -6.871 1.108 0.220 173 2HB PHE 36 1HB PHE 36 -6.475 2.645 0.926 174 HD1 PHE 36 1HD PHE 36 -5.365 -0.627 0.187 175 HD2 PHE 36 2HD PHE 36 -4.876 2.511 3.027 176 HE1 PHE 36 1HE PHE 36 -3.137 -1.457 0.712 177 HE2 PHE 36 2HE PHE 36 -2.645 1.655 3.559 178 HZ PHE 36 HZ PHE 36 -1.768 -0.325 2.404 179 H ILE 37 H ILE 37 -6.818 3.198 3.451 180 HA ILE 37 HA ILE 37 -5.404 1.967 5.535 181 HB ILE 37 HB ILE 37 -6.870 4.517 5.942 182 1HG1 ILE 37 2HG1 ILE 37 -5.632 5.122 3.907 183 2HG1 ILE 37 1HG1 ILE 37 -4.888 5.857 5.283 184 1HG2 ILE 37 1HG2 ILE 37 -4.991 5.188 7.437 185 2HG2 ILE 37 2HG2 ILE 37 -4.327 3.569 7.212 186 3HG2 ILE 37 3HG2 ILE 37 -5.908 3.777 7.966 187 1HD1 ILE 37 1HD1 ILE 37 -3.097 4.243 5.299 188 2HD1 ILE 37 2HD1 ILE 37 -3.267 5.075 3.769 189 3HD1 ILE 37 3HD1 ILE 37 -3.843 3.410 3.917 190 H GLU 38 H GLU 38 -8.857 2.868 5.484 191 HA GLU 38 HA GLU 38 -8.927 2.088 8.312 192 1HB GLU 38 2HB GLU 38 -10.838 3.595 8.701 193 2HB GLU 38 1HB GLU 38 -9.356 4.424 8.278 194 1HG GLU 38 2HG GLU 38 -10.211 4.744 5.995 195 2HG GLU 38 1HG GLU 38 -11.712 3.940 6.467 196 H LYS 39 H LYS 39 -10.774 2.179 5.429 197 HA LYS 39 HA LYS 39 -12.907 0.576 6.453 198 1HB LYS 39 2HB LYS 39 -13.166 2.452 4.862 199 2HB LYS 39 1HB LYS 39 -12.168 1.535 3.735 200 1HG LYS 39 2HG LYS 39 -13.865 -0.150 3.510 201 2HG LYS 39 1HG LYS 39 -14.857 0.627 4.750 202 1HD LYS 39 2HD LYS 39 -14.033 1.914 2.148 203 2HD LYS 39 1HD LYS 39 -15.600 1.157 2.443 204 1HE LYS 39 2HE LYS 39 -16.100 2.760 4.180 205 2HE LYS 39 1HE LYS 39 -14.484 3.450 4.059 206 1HZ LYS 39 1HZ LYS 39 -16.224 4.747 2.908 207 2HZ LYS 39 2HZ LYS 39 -16.461 3.460 1.844 208 3HZ LYS 39 3HZ LYS 39 -14.942 4.255 1.925 209 H ARG 40 H ARG 40 -10.040 0.256 4.341 210 HA ARG 40 HA ARG 40 -11.031 -2.366 3.677 211 1HB ARG 40 2HB ARG 40 -10.577 -0.888 1.794 212 2HB ARG 40 1HB ARG 40 -8.937 -0.630 2.361 213 1HG ARG 40 2HG ARG 40 -8.833 -2.169 0.569 214 2HG ARG 40 1HG ARG 40 -8.541 -3.049 2.072 215 1HD ARG 40 2HD ARG 40 -11.062 -3.572 2.000 216 2HD ARG 40 1HD ARG 40 -10.967 -3.082 0.306 217 HE ARG 40 HE ARG 40 -9.051 -5.038 1.224 218 1HH1 ARG 40 1HH1 ARG 40 -11.885 -4.441 -0.868 219 2HH1 ARG 40 2HH1 ARG 40 -12.070 -6.102 -1.209 220 1HH2 ARG 40 1HH2 ARG 40 -9.379 -7.317 0.599 221 2HH2 ARG 40 2HH2 ARG 40 -10.659 -7.675 -0.469 222 H TYR 41 H TYR 41 -8.661 -0.745 5.622 223 HA TYR 41 HA TYR 41 -6.419 -2.226 5.666 224 1HB TYR 41 2HB TYR 41 -7.102 -0.531 7.511 225 2HB TYR 41 1HB TYR 41 -7.891 -1.865 8.223 226 HD1 TYR 41 1HD TYR 41 -4.437 -0.907 7.231 227 HD2 TYR 41 2HD TYR 41 -6.917 -3.397 9.611 228 HE1 TYR 41 1HE TYR 41 -2.453 -1.790 8.379 229 HE2 TYR 41 2HE TYR 41 -4.992 -4.283 10.757 230 HH TYR 41 HH TYR 41 -1.859 -2.893 10.478 231 H VAL 42 H VAL 42 -8.874 -3.501 7.814 232 HA VAL 42 HA VAL 42 -7.476 -5.889 8.202 233 HB VAL 42 HB VAL 42 -9.004 -5.320 9.872 234 1HG1 VAL 42 1HG1 VAL 42 -11.357 -4.807 9.503 235 2HG1 VAL 42 2HG1 VAL 42 -11.120 -5.097 7.759 236 3HG1 VAL 42 3HG1 VAL 42 -10.228 -3.804 8.572 237 1HG2 VAL 42 1HG2 VAL 42 -9.074 -7.735 9.473 238 2HG2 VAL 42 2HG2 VAL 42 -10.379 -7.515 8.310 239 3HG2 VAL 42 3HG2 VAL 42 -10.648 -7.152 10.015 240 H GLU 43 H GLU 43 -9.786 -5.007 5.788 241 HA GLU 43 HA GLU 43 -10.090 -7.661 4.634 242 1HB GLU 43 2HB GLU 43 -10.591 -4.941 3.398 243 2HB GLU 43 1HB GLU 43 -11.175 -6.486 2.817 244 1HG GLU 43 2HG GLU 43 -11.996 -5.151 5.382 245 2HG GLU 43 1HG GLU 43 -12.915 -5.153 3.879 246 H LEU 44 H LEU 44 -7.696 -5.011 4.234 247 HA LEU 44 HA LEU 44 -6.771 -6.514 1.922 248 1HB LEU 44 2HB LEU 44 -5.170 -4.800 1.503 249 2HB LEU 44 1HB LEU 44 -6.709 -4.053 1.838 250 HG LEU 44 HG LEU 44 -5.277 -4.044 4.266 251 1HD1 LEU 44 1HD1 LEU 44 -3.278 -2.847 3.609 252 2HD1 LEU 44 2HD1 LEU 44 -3.682 -3.096 1.906 253 3HD1 LEU 44 3HD1 LEU 44 -3.284 -4.474 2.927 254 1HD2 LEU 44 1HD2 LEU 44 -5.383 -1.649 3.940 255 2HD2 LEU 44 2HD2 LEU 44 -6.917 -2.414 3.522 256 3HD2 LEU 44 3HD2 LEU 44 -5.815 -1.889 2.247 257 H LYS 45 H LYS 45 -6.154 -6.307 5.205 258 HA LYS 45 HA LYS 45 -3.674 -7.679 5.161 259 1HB LYS 45 2HB LYS 45 -4.517 -6.410 7.121 260 2HB LYS 45 1HB LYS 45 -5.804 -7.588 7.316 261 1HG LYS 45 2HG LYS 45 -4.138 -9.323 7.768 262 2HG LYS 45 1HG LYS 45 -2.854 -8.124 7.584 263 1HD LYS 45 2HD LYS 45 -3.811 -6.842 9.455 264 2HD LYS 45 1HD LYS 45 -5.056 -8.075 9.648 265 1HE LYS 45 2HE LYS 45 -3.245 -8.379 11.263 266 2HE LYS 45 1HE LYS 45 -3.344 -9.742 10.149 267 1HZ LYS 45 1HZ LYS 45 -1.437 -7.477 9.839 268 2HZ LYS 45 2HZ LYS 45 -1.470 -8.905 8.937 269 3HZ LYS 45 3HZ LYS 45 -1.021 -8.958 10.531 270 H LYS 46 H LYS 46 -7.073 -8.660 5.293 271 HA LYS 46 HA LYS 46 -6.416 -11.448 5.522 272 1HB LYS 46 2HB LYS 46 -8.734 -11.835 5.651 273 2HB LYS 46 1HB LYS 46 -8.483 -10.306 6.476 274 1HG LYS 46 2HG LYS 46 -9.059 -9.500 3.884 275 2HG LYS 46 1HG LYS 46 -9.935 -10.904 3.977 276 1HD LYS 46 2HD LYS 46 -10.290 -8.875 6.143 277 2HD LYS 46 1HD LYS 46 -11.364 -9.097 4.767 278 1HE LYS 46 2HE LYS 46 -10.736 -11.196 6.843 279 2HE LYS 46 1HE LYS 46 -12.171 -10.176 6.843 280 1HZ LYS 46 1HZ LYS 46 -12.612 -12.354 5.914 281 2HZ LYS 46 2HZ LYS 46 -11.447 -12.154 4.735 282 3HZ LYS 46 3HZ LYS 46 -12.833 -11.176 4.730 283 H ALA 47 H ALA 47 -7.234 -9.194 2.922 284 HA ALA 47 HA ALA 47 -7.892 -11.335 1.353 285 1HB ALA 47 1HB ALA 47 -9.149 -9.367 1.026 286 2HB ALA 47 2HB ALA 47 -8.355 -9.771 -0.499 287 3HB ALA 47 3HB ALA 47 -7.719 -8.473 0.514 288 H ASN 48 H ASN 48 -5.050 -9.492 1.969 289 HA ASN 48 HA ASN 48 -3.631 -10.511 -0.335 290 1HB ASN 48 2HB ASN 48 -3.052 -7.911 1.190 291 2HB ASN 48 1HB ASN 48 -2.160 -8.520 -0.172 292 1HD2 ASN 48 1HD2 ASN 48 -2.426 -6.462 -1.367 293 2HD2 ASN 48 2HD2 ASN 48 -3.938 -6.113 -2.066 294 HA PRO 49 HA PRO 49 -2.551 -12.370 3.811 295 1HB PRO 49 2HB PRO 49 -1.812 -14.773 2.794 296 2HB PRO 49 1HB PRO 49 -3.502 -14.344 3.113 297 1HG PRO 49 2HG PRO 49 -1.953 -14.123 0.564 298 2HG PRO 49 1HG PRO 49 -3.519 -14.890 0.789 299 1HD PRO 49 2HD PRO 49 -3.377 -12.425 -0.169 300 2HD PRO 49 1HD PRO 49 -4.601 -12.702 1.079 301 H ASP 50 H ASP 50 -0.781 -12.965 1.024 302 HA ASP 50 HA ASP 50 1.768 -12.939 2.520 303 1HB ASP 50 2HB ASP 50 1.331 -14.647 0.698 304 2HB ASP 50 1HB ASP 50 1.468 -13.342 -0.474 305 H LEU 51 H LEU 51 0.122 -10.557 2.111 306 HA LEU 51 HA LEU 51 2.110 -8.852 0.858 307 1HB LEU 51 2HB LEU 51 -0.025 -8.959 -0.309 308 2HB LEU 51 1HB LEU 51 -0.924 -8.538 1.123 309 HG LEU 51 HG LEU 51 -0.937 -6.759 -0.446 310 1HD1 LEU 51 1HD1 LEU 51 0.962 -5.966 1.721 311 2HD1 LEU 51 2HD1 LEU 51 -0.799 -5.954 1.799 312 3HD1 LEU 51 3HD1 LEU 51 0.044 -4.866 0.696 313 1HD2 LEU 51 1HD2 LEU 51 1.060 -5.687 -1.293 314 2HD2 LEU 51 2HD2 LEU 51 0.931 -7.384 -1.764 315 3HD2 LEU 51 3HD2 LEU 51 2.038 -6.902 -0.477 316 HA PRO 52 HA PRO 52 2.401 -7.900 5.548 317 1HB PRO 52 2HB PRO 52 4.408 -6.252 4.154 318 2HB PRO 52 1HB PRO 52 4.482 -7.060 5.723 319 1HG PRO 52 2HG PRO 52 5.699 -8.137 3.640 320 2HG PRO 52 1HG PRO 52 4.755 -9.188 4.700 321 1HD PRO 52 2HD PRO 52 4.086 -8.102 2.000 322 2HD PRO 52 1HD PRO 52 3.690 -9.685 2.702 323 H ILE 53 H ILE 53 1.299 -6.421 6.401 324 HA ILE 53 HA ILE 53 0.596 -4.002 4.845 325 HB ILE 53 HB ILE 53 -0.890 -4.899 7.313 326 1HG1 ILE 53 2HG1 ILE 53 -0.918 -6.855 5.743 327 2HG1 ILE 53 1HG1 ILE 53 -2.509 -6.187 6.058 328 1HG2 ILE 53 1HG2 ILE 53 -1.735 -3.288 4.926 329 2HG2 ILE 53 2HG2 ILE 53 -1.342 -2.683 6.535 330 3HG2 ILE 53 3HG2 ILE 53 -2.766 -3.695 6.298 331 1HD1 ILE 53 1HD1 ILE 53 -2.260 -6.822 3.748 332 2HD1 ILE 53 2HD1 ILE 53 -0.856 -5.765 3.580 333 3HD1 ILE 53 3HD1 ILE 53 -2.456 -5.084 3.886 334 H LEU 54 H LEU 54 2.216 -2.534 5.621 335 HA LEU 54 HA LEU 54 2.303 -2.149 8.556 336 1HB LEU 54 2HB LEU 54 4.634 -1.841 6.656 337 2HB LEU 54 1HB LEU 54 4.680 -1.736 8.402 338 HG LEU 54 HG LEU 54 4.100 -4.262 6.837 339 1HD1 LEU 54 1HD1 LEU 54 6.303 -4.987 7.565 340 2HD1 LEU 54 2HD1 LEU 54 6.587 -3.400 8.278 341 3HD1 LEU 54 3HD1 LEU 54 6.387 -3.562 6.533 342 1HD2 LEU 54 1HD2 LEU 54 3.050 -4.223 9.040 343 2HD2 LEU 54 2HD2 LEU 54 4.620 -3.891 9.789 344 3HD2 LEU 54 3HD2 LEU 54 4.338 -5.413 8.931 345 H ILE 55 H ILE 55 2.037 0.006 9.208 346 HA ILE 55 HA ILE 55 1.636 2.007 7.128 347 HB ILE 55 HB ILE 55 0.872 1.903 10.073 348 1HG1 ILE 55 2HG1 ILE 55 -1.489 2.433 9.071 349 2HG1 ILE 55 1HG1 ILE 55 -0.741 2.089 7.539 350 1HG2 ILE 55 1HG2 ILE 55 0.635 4.327 8.319 351 2HG2 ILE 55 2HG2 ILE 55 1.666 4.133 9.735 352 3HG2 ILE 55 3HG2 ILE 55 -0.087 4.146 9.917 353 1HD1 ILE 55 1HD1 ILE 55 -0.253 -0.174 8.214 354 2HD1 ILE 55 2HD1 ILE 55 -1.972 0.182 8.380 355 3HD1 ILE 55 3HD1 ILE 55 -0.940 0.135 9.809 356 H ARG 56 H ARG 56 3.090 3.383 6.722 357 HA ARG 56 HA ARG 56 5.190 4.022 8.687 358 1HB ARG 56 2HB ARG 56 5.579 3.631 5.732 359 2HB ARG 56 1HB ARG 56 6.792 4.232 6.836 360 1HG ARG 56 2HG ARG 56 5.504 1.529 7.032 361 2HG ARG 56 1HG ARG 56 7.100 1.856 6.358 362 1HD ARG 56 2HD ARG 56 6.249 2.461 9.190 363 2HD ARG 56 1HD ARG 56 7.163 1.041 8.692 364 HE ARG 56 HE ARG 56 8.572 3.222 7.781 365 1HH1 ARG 56 1HH1 ARG 56 7.451 2.199 10.989 366 2HH1 ARG 56 2HH1 ARG 56 8.866 2.714 11.802 367 1HH2 ARG 56 1HH2 ARG 56 10.520 3.908 8.903 368 2HH2 ARG 56 2HH2 ARG 56 10.654 3.699 10.580 369 H GLU 57 H GLU 57 6.505 5.930 7.842 370 HA GLU 57 HA GLU 57 4.637 8.098 7.833 371 1HB GLU 57 2HB GLU 57 7.570 8.004 8.346 372 2HB GLU 57 1HB GLU 57 6.694 9.519 8.188 373 1HG GLU 57 2HG GLU 57 5.224 8.820 10.030 374 2HG GLU 57 1HG GLU 57 6.197 7.358 10.214 375 H CYS 58 H CYS 58 5.282 10.103 6.873 376 HA CYS 58 HA CYS 58 4.804 10.227 4.195 377 1HB CYS 58 2HB CYS 58 5.993 12.617 4.976 378 2HB CYS 58 1HB CYS 58 4.278 12.203 4.993 379 H SER 59 H SER 59 6.052 11.383 2.519 380 HA SER 59 HA SER 59 8.762 11.714 2.454 381 1HB SER 59 2HB SER 59 9.428 9.758 0.970 382 2HB SER 59 1HB SER 59 9.110 9.335 2.650 383 HG SER 59 HG SER 59 8.144 8.131 0.700 384 H ASP 60 H ASP 60 6.674 10.130 0.006 385 HA ASP 60 HA ASP 60 7.220 12.394 -1.789 386 1HB ASP 60 2HB ASP 60 6.289 9.598 -2.463 387 2HB ASP 60 1HB ASP 60 6.555 10.882 -3.631 388 H VAL 61 H VAL 61 5.592 13.715 -0.922 389 HA VAL 61 HA VAL 61 3.765 14.871 -1.227 390 HB VAL 61 HB VAL 61 2.741 12.592 -2.977 391 1HG1 VAL 61 1HG1 VAL 61 0.884 13.859 -2.046 392 2HG1 VAL 61 2HG1 VAL 61 1.048 14.169 -3.774 393 3HG1 VAL 61 3HG1 VAL 61 1.615 15.363 -2.606 394 1HG2 VAL 61 1HG2 VAL 61 3.213 14.106 -4.847 395 2HG2 VAL 61 2HG2 VAL 61 4.679 13.712 -3.942 396 3HG2 VAL 61 3HG2 VAL 61 3.895 15.279 -3.719 397 H GLN 62 H GLN 62 2.815 11.608 -0.987 398 HA GLN 62 HA GLN 62 1.763 11.922 1.621 399 1HB GLN 62 2HB GLN 62 0.159 13.406 0.248 400 2HB GLN 62 1HB GLN 62 -0.592 11.926 -0.272 401 1HG GLN 62 2HG GLN 62 -0.426 12.739 2.634 402 2HG GLN 62 1HG GLN 62 -1.692 13.305 1.581 403 1HE2 GLN 62 1HE2 GLN 62 -0.446 9.930 1.831 404 2HE2 GLN 62 2HE2 GLN 62 -1.937 9.314 2.428 405 HA PRO 63 HA PRO 63 0.216 7.669 0.824 406 1HB PRO 63 2HB PRO 63 -1.355 7.113 -1.282 407 2HB PRO 63 1HB PRO 63 -1.894 8.121 0.061 408 1HG PRO 63 2HG PRO 63 -1.385 8.903 -2.700 409 2HG PRO 63 1HG PRO 63 -2.073 9.878 -1.391 410 1HD PRO 63 2HD PRO 63 0.720 9.726 -2.372 411 2HD PRO 63 1HD PRO 63 -0.099 11.045 -1.498 412 H LYS 64 H LYS 64 2.197 6.497 0.506 413 HA LYS 64 HA LYS 64 2.887 5.791 -2.331 414 1HB LYS 64 2HB LYS 64 4.817 6.140 -0.001 415 2HB LYS 64 1HB LYS 64 5.240 5.628 -1.612 416 1HG LYS 64 2HG LYS 64 5.950 7.861 -1.350 417 2HG LYS 64 1HG LYS 64 4.557 7.901 -2.427 418 1HD LYS 64 2HD LYS 64 4.426 9.733 -0.846 419 2HD LYS 64 1HD LYS 64 3.169 8.537 -0.560 420 1HE LYS 64 2HE LYS 64 4.499 7.604 1.273 421 2HE LYS 64 1HE LYS 64 5.789 8.743 0.927 422 1HZ LYS 64 1HZ LYS 64 4.459 9.392 2.848 423 2HZ LYS 64 2HZ LYS 64 3.080 9.403 1.942 424 3HZ LYS 64 3HZ LYS 64 4.269 10.562 1.644 425 H LEU 65 H LEU 65 3.611 3.683 -2.698 426 HA LEU 65 HA LEU 65 3.165 1.767 -0.489 427 1HB LEU 65 2HB LEU 65 3.602 1.368 -3.420 428 2HB LEU 65 1HB LEU 65 3.733 0.034 -2.298 429 HG LEU 65 HG LEU 65 1.702 -0.243 -3.152 430 1HD1 LEU 65 1HD1 LEU 65 1.428 -0.150 -0.798 431 2HD1 LEU 65 2HD1 LEU 65 -0.015 0.480 -1.593 432 3HD1 LEU 65 3HD1 LEU 65 1.142 1.588 -0.856 433 1HD2 LEU 65 1HD2 LEU 65 0.184 1.546 -3.830 434 2HD2 LEU 65 2HD2 LEU 65 1.757 1.649 -4.620 435 3HD2 LEU 65 3HD2 LEU 65 1.366 2.733 -3.285 436 H TRP 66 H TRP 66 4.976 1.369 0.684 437 HA TRP 66 HA TRP 66 7.351 1.316 -0.879 438 1HB TRP 66 2HB TRP 66 7.846 2.210 1.284 439 2HB TRP 66 1HB TRP 66 6.895 0.972 2.103 440 HD1 TRP 66 HD TRP 66 8.287 -0.942 3.131 441 HE1 TRP 66 1HE TRP 66 10.621 -1.951 2.702 442 HE3 TRP 66 3HE TRP 66 9.653 1.921 -0.796 443 HZ2 TRP 66 2HZ TRP 66 12.743 -1.545 0.908 444 HZ3 TRP 66 3HZ TRP 66 11.819 1.552 -1.821 445 HH2 TRP 66 HH TRP 66 13.301 -0.096 -1.040 446 H ALA 67 H ALA 67 7.633 -0.451 -1.952 447 HA ALA 67 HA ALA 67 6.642 -2.978 -0.884 448 1HB ALA 67 1HB ALA 67 7.143 -2.138 -3.727 449 2HB ALA 67 2HB ALA 67 5.567 -2.317 -2.957 450 3HB ALA 67 3HB ALA 67 6.593 -3.731 -3.210 451 H ARG 68 H ARG 68 8.127 -4.505 -0.469 452 HA ARG 68 HA ARG 68 10.643 -4.386 -1.831 453 1HB ARG 68 2HB ARG 68 10.822 -3.454 0.582 454 2HB ARG 68 1HB ARG 68 10.415 -5.087 1.102 455 1HG ARG 68 2HG ARG 68 12.714 -5.155 1.160 456 2HG ARG 68 1HG ARG 68 12.349 -5.776 -0.458 457 1HD ARG 68 2HD ARG 68 12.661 -3.321 -1.278 458 2HD ARG 68 1HD ARG 68 13.315 -3.036 0.297 459 HE ARG 68 HE ARG 68 14.570 -5.262 -0.898 460 1HH1 ARG 68 1HH1 ARG 68 14.673 -1.719 -0.626 461 2HH1 ARG 68 2HH1 ARG 68 16.161 -1.533 -1.406 462 1HH2 ARG 68 1HH2 ARG 68 16.717 -5.019 -1.921 463 2HH2 ARG 68 2HH2 ARG 68 17.344 -3.451 -2.158 464 H TYR 69 H TYR 69 10.171 -5.901 -2.921 465 HA TYR 69 HA TYR 69 8.595 -8.237 -2.078 466 1HB TYR 69 2HB TYR 69 10.007 -8.280 -4.720 467 2HB TYR 69 1HB TYR 69 8.402 -8.837 -4.305 468 HD1 TYR 69 1HD TYR 69 10.377 -6.211 -5.699 469 HD2 TYR 69 2HD TYR 69 6.519 -7.050 -4.107 470 HE1 TYR 69 1HE TYR 69 9.479 -4.204 -6.784 471 HE2 TYR 69 2HE TYR 69 5.660 -5.119 -5.131 472 HH TYR 69 HH TYR 69 7.400 -3.305 -7.520 473 H ALA 70 H ALA 70 9.614 -10.530 -2.187 474 HA ALA 70 HA ALA 70 12.496 -10.732 -1.859 475 1HB ALA 70 1HB ALA 70 10.420 -12.904 -2.198 476 2HB ALA 70 2HB ALA 70 10.879 -12.208 -0.642 477 3HB ALA 70 3HB ALA 70 12.067 -13.094 -1.600 478 H PHE 71 H PHE 71 10.696 -10.259 -4.511 479 HA PHE 71 HA PHE 71 12.329 -11.694 -6.345 480 1HB PHE 71 2HB PHE 71 11.120 -8.922 -6.702 481 2HB PHE 71 1HB PHE 71 11.692 -9.967 -7.992 482 HD1 PHE 71 1HD PHE 71 8.862 -8.672 -6.760 483 HD2 PHE 71 2HD PHE 71 10.508 -12.498 -7.576 484 HE1 PHE 71 1HE PHE 71 6.597 -9.592 -6.969 485 HE2 PHE 71 2HE PHE 71 8.244 -13.425 -7.787 486 HZ PHE 71 HZ PHE 71 6.284 -11.972 -7.484 487 H GLY 72 H GLY 72 12.757 -9.193 -4.123 488 1HA GLY 72 2HA GLY 72 14.589 -8.320 -3.288 489 2HA GLY 72 1HA GLY 72 15.536 -9.045 -4.570 490 H GLN 73 H GLN 73 12.695 -7.180 -4.978 491 HA GLN 73 HA GLN 73 14.156 -4.907 -6.109 492 1HB GLN 73 2HB GLN 73 11.478 -6.048 -6.937 493 2HB GLN 73 1HB GLN 73 12.189 -4.576 -7.570 494 1HG GLN 73 2HG GLN 73 14.037 -5.887 -8.491 495 2HG GLN 73 1HG GLN 73 13.268 -7.354 -7.885 496 1HE2 GLN 73 1HE2 GLN 73 11.442 -4.660 -9.193 497 2HE2 GLN 73 2HE2 GLN 73 10.942 -5.478 -10.625 498 H GLU 74 H GLU 74 12.806 -2.895 -5.951 499 HA GLU 74 HA GLU 74 10.933 -2.966 -3.748 500 1HB GLU 74 2HB GLU 74 12.061 -1.314 -2.482 501 2HB GLU 74 1HB GLU 74 13.205 -2.605 -2.799 502 1HG GLU 74 2HG GLU 74 13.058 -0.034 -4.322 503 2HG GLU 74 1HG GLU 74 14.134 -0.292 -2.954 504 H THR 75 H THR 75 10.015 -0.765 -3.438 505 HA THR 75 HA THR 75 10.429 1.283 -5.276 506 HB THR 75 HB THR 75 9.118 -0.319 -6.777 507 HG1 THR 75 1HG THR 75 8.863 2.253 -6.550 508 1HG2 THR 75 1HG2 THR 75 7.617 -1.279 -5.084 509 2HG2 THR 75 2HG2 THR 75 6.692 -0.552 -6.398 510 3HG2 THR 75 3HG2 THR 75 6.858 0.293 -4.860 511 H ASN 76 H ASN 76 9.409 3.108 -4.537 512 HA ASN 76 HA ASN 76 7.701 2.836 -2.210 513 1HB ASN 76 2HB ASN 76 9.004 4.997 -1.344 514 2HB ASN 76 1HB ASN 76 9.634 3.392 -1.019 515 1HD2 ASN 76 1HD2 ASN 76 11.689 2.750 -1.958 516 2HD2 ASN 76 2HD2 ASN 76 12.617 3.885 -2.836 517 H VAL 77 H VAL 77 5.905 3.371 -3.145 518 HA VAL 77 HA VAL 77 5.941 5.885 -4.687 519 HB VAL 77 HB VAL 77 6.673 4.635 -5.851 520 1HG1 VAL 77 1HG1 VAL 77 5.487 2.487 -7.049 521 2HG1 VAL 77 2HG1 VAL 77 4.280 2.715 -5.783 522 3HG1 VAL 77 3HG1 VAL 77 5.946 2.322 -5.354 523 1HG2 VAL 77 1HG2 VAL 77 5.260 4.627 -8.075 524 2HG2 VAL 77 2HG2 VAL 77 5.468 6.126 -7.167 525 3HG2 VAL 77 3HG2 VAL 77 3.976 5.197 -7.005 526 HA PRO 78 HA PRO 78 1.950 7.237 -3.601 527 1HB PRO 78 2HB PRO 78 2.511 8.502 -6.245 528 2HB PRO 78 1HB PRO 78 1.851 9.222 -4.765 529 1HG PRO 78 2HG PRO 78 4.391 9.591 -5.365 530 2HG PRO 78 1HG PRO 78 3.918 9.221 -3.692 531 1HD PRO 78 2HD PRO 78 5.105 7.372 -5.749 532 2HD PRO 78 1HD PRO 78 5.447 7.381 -4.024 533 H LEU 79 H LEU 79 0.373 6.151 -3.736 534 HA LEU 79 HA LEU 79 -0.584 4.851 -6.182 535 1HB LEU 79 2HB LEU 79 -1.931 3.485 -4.520 536 2HB LEU 79 1HB LEU 79 -0.170 3.455 -4.352 537 HG LEU 79 HG LEU 79 -0.198 4.768 -2.372 538 1HD1 LEU 79 1HD1 LEU 79 -3.185 4.881 -2.631 539 2HD1 LEU 79 2HD1 LEU 79 -2.034 6.221 -2.827 540 3HD1 LEU 79 3HD1 LEU 79 -2.208 5.430 -1.257 541 1HD2 LEU 79 1HD2 LEU 79 -2.240 2.574 -2.242 542 2HD2 LEU 79 2HD2 LEU 79 -1.401 3.283 -0.861 543 3HD2 LEU 79 3HD2 LEU 79 -0.490 2.412 -2.098 544 H ASN 80 H ASN 80 -0.640 7.592 -5.536 545 HA ASN 80 HA ASN 80 -2.742 8.672 -4.175 546 1HB ASN 80 2HB ASN 80 -0.769 9.897 -4.688 547 2HB ASN 80 1HB ASN 80 -1.089 9.827 -6.414 548 1HD2 ASN 80 1HD2 ASN 80 -3.368 10.647 -3.761 549 2HD2 ASN 80 2HD2 ASN 80 -3.630 12.248 -4.349 550 H ASN 81 H ASN 81 -2.861 7.398 -7.251 551 HA ASN 81 HA ASN 81 -5.184 9.031 -7.974 552 1HB ASN 81 2HB ASN 81 -3.263 8.546 -9.550 553 2HB ASN 81 1HB ASN 81 -3.945 6.929 -9.713 554 1HD2 ASN 81 1HD2 ASN 81 -4.411 10.249 -10.201 555 2HD2 ASN 81 2HD2 ASN 81 -5.655 10.184 -11.404 556 H PHE 82 H PHE 82 -4.761 5.919 -6.568 557 HA PHE 82 HA PHE 82 -7.168 4.844 -7.843 558 1HB PHE 82 2HB PHE 82 -5.247 3.524 -5.934 559 2HB PHE 82 1HB PHE 82 -6.555 2.754 -6.816 560 HD1 PHE 82 1HD PHE 82 -3.155 3.989 -6.943 561 HD2 PHE 82 2HD PHE 82 -6.363 2.383 -9.228 562 HE1 PHE 82 1HE PHE 82 -1.586 3.450 -8.755 563 HE2 PHE 82 2HE PHE 82 -4.799 1.844 -11.045 564 HZ PHE 82 HZ PHE 82 -2.408 2.377 -10.806 565 H SER 83 H SER 83 -8.212 3.363 -6.298 566 HA SER 83 HA SER 83 -9.342 4.889 -4.043 567 1HB SER 83 2HB SER 83 -10.580 3.023 -6.029 568 2HB SER 83 1HB SER 83 -11.481 3.719 -4.656 569 HG SER 83 HG SER 83 -11.887 4.992 -6.340 570 H ALA 84 H ALA 84 -10.629 3.200 -2.559 571 HA ALA 84 HA ALA 84 -8.915 1.832 -1.007 572 1HB ALA 84 1HB ALA 84 -10.837 0.656 -0.064 573 2HB ALA 84 2HB ALA 84 -11.817 1.207 -1.435 574 3HB ALA 84 3HB ALA 84 -11.071 2.378 -0.334 575 H ASP 85 H ASP 85 -11.209 0.113 -3.148 576 HA ASP 85 HA ASP 85 -9.917 -2.396 -2.693 577 1HB ASP 85 2HB ASP 85 -12.140 -1.736 -4.634 578 2HB ASP 85 1HB ASP 85 -11.585 -3.360 -4.249 579 H GLN 86 H GLN 86 -9.856 -0.008 -5.138 580 HA GLN 86 HA GLN 86 -8.411 -1.513 -7.060 581 1HB GLN 86 2HB GLN 86 -8.645 1.461 -6.636 582 2HB GLN 86 1HB GLN 86 -7.701 0.751 -7.940 583 1HG GLN 86 2HG GLN 86 -10.649 0.344 -7.498 584 2HG GLN 86 1HG GLN 86 -9.927 1.437 -8.679 585 1HE2 GLN 86 1HE2 GLN 86 -7.760 -0.393 -9.352 586 2HE2 GLN 86 2HE2 GLN 86 -8.456 -1.651 -10.288 587 H VAL 87 H VAL 87 -7.187 0.753 -4.573 588 HA VAL 87 HA VAL 87 -4.533 0.210 -5.225 589 HB VAL 87 HB VAL 87 -3.898 0.896 -2.846 590 1HG1 VAL 87 1HG1 VAL 87 -4.007 2.550 -4.606 591 2HG1 VAL 87 2HG1 VAL 87 -4.545 3.215 -3.060 592 3HG1 VAL 87 3HG1 VAL 87 -5.729 2.774 -4.290 593 1HG2 VAL 87 1HG2 VAL 87 -6.843 1.358 -2.560 594 2HG2 VAL 87 2HG2 VAL 87 -5.589 1.874 -1.430 595 3HG2 VAL 87 3HG2 VAL 87 -5.885 0.156 -1.700 596 H THR 88 H THR 88 -6.674 -1.487 -2.991 597 HA THR 88 HA THR 88 -4.596 -3.165 -2.093 598 HB THR 88 HB THR 88 -6.447 -4.642 -1.229 599 HG1 THR 88 1HG THR 88 -8.153 -2.522 -1.993 600 1HG2 THR 88 1HG2 THR 88 -6.594 -1.694 -0.692 601 2HG2 THR 88 2HG2 THR 88 -5.458 -2.827 0.043 602 3HG2 THR 88 3HG2 THR 88 -7.187 -2.970 0.366 603 H ARG 89 H ARG 89 -6.905 -3.754 -4.499 604 HA ARG 89 HA ARG 89 -5.858 -6.431 -4.977 605 1HB ARG 89 2HB ARG 89 -8.310 -5.751 -5.279 606 2HB ARG 89 1HB ARG 89 -7.802 -4.982 -6.773 607 1HG ARG 89 2HG ARG 89 -8.730 -7.157 -7.227 608 2HG ARG 89 1HG ARG 89 -6.998 -7.160 -7.589 609 1HD ARG 89 2HD ARG 89 -6.516 -8.252 -5.504 610 2HD ARG 89 1HD ARG 89 -8.197 -8.118 -5.000 611 HE ARG 89 HE ARG 89 -8.209 -9.505 -7.365 612 1HH1 ARG 89 1HH1 ARG 89 -6.855 -9.965 -4.103 613 2HH1 ARG 89 2HH1 ARG 89 -6.953 -11.652 -4.145 614 1HH2 ARG 89 1HH2 ARG 89 -8.327 -11.884 -7.399 615 2HH2 ARG 89 2HH2 ARG 89 -7.835 -12.749 -6.004 616 H ALA 90 H ALA 90 -5.674 -3.292 -6.702 617 HA ALA 90 HA ALA 90 -4.109 -4.379 -8.820 618 1HB ALA 90 1HB ALA 90 -3.460 -2.084 -9.327 619 2HB ALA 90 2HB ALA 90 -4.085 -1.540 -7.769 620 3HB ALA 90 3HB ALA 90 -5.192 -2.152 -8.997 621 H LEU 91 H LEU 91 -3.275 -3.159 -5.575 622 HA LEU 91 HA LEU 91 -0.498 -3.298 -5.760 623 1HB LEU 91 2HB LEU 91 -2.359 -3.798 -3.408 624 2HB LEU 91 1HB LEU 91 -0.837 -4.530 -3.417 625 HG LEU 91 HG LEU 91 0.421 -2.600 -3.346 626 1HD1 LEU 91 1HD1 LEU 91 -2.061 -0.999 -3.946 627 2HD1 LEU 91 2HD1 LEU 91 -0.719 -1.294 -5.052 628 3HD1 LEU 91 3HD1 LEU 91 -0.461 -0.341 -3.592 629 1HD2 LEU 91 1HD2 LEU 91 -0.643 -3.186 -1.250 630 2HD2 LEU 91 2HD2 LEU 91 -2.035 -2.182 -1.653 631 3HD2 LEU 91 3HD2 LEU 91 -0.459 -1.437 -1.380 632 H GLU 92 H GLU 92 -2.788 -5.818 -4.930 633 HA GLU 92 HA GLU 92 -0.710 -7.756 -4.806 634 1HB GLU 92 2HB GLU 92 -3.114 -7.826 -3.824 635 2HB GLU 92 1HB GLU 92 -3.556 -8.405 -5.401 636 1HG GLU 92 2HG GLU 92 -1.871 -10.211 -5.247 637 2HG GLU 92 1HG GLU 92 -1.620 -9.769 -3.563 638 H ASN 93 H ASN 93 -2.920 -6.926 -7.353 639 HA ASN 93 HA ASN 93 -2.198 -8.766 -9.271 640 1HB ASN 93 2HB ASN 93 -3.161 -5.986 -9.257 641 2HB ASN 93 1HB ASN 93 -2.473 -6.456 -10.779 642 1HD2 ASN 93 1HD2 ASN 93 -4.308 -8.597 -8.568 643 2HD2 ASN 93 2HD2 ASN 93 -5.650 -8.754 -9.627 644 H VAL 94 H VAL 94 -0.817 -5.516 -8.870 645 HA VAL 94 HA VAL 94 1.252 -5.903 -10.652 646 HB VAL 94 HB VAL 94 2.450 -4.156 -9.627 647 1HG1 VAL 94 1HG1 VAL 94 -0.456 -3.525 -10.258 648 2HG1 VAL 94 2HG1 VAL 94 0.875 -3.616 -11.414 649 3HG1 VAL 94 3HG1 VAL 94 0.807 -2.296 -10.247 650 1HG2 VAL 94 1HG2 VAL 94 0.168 -3.831 -7.689 651 2HG2 VAL 94 2HG2 VAL 94 1.403 -2.598 -7.954 652 3HG2 VAL 94 3HG2 VAL 94 1.854 -4.179 -7.323 653 H LEU 95 H LEU 95 1.373 -6.324 -7.186 654 HA LEU 95 HA LEU 95 4.097 -6.923 -7.860 655 1HB LEU 95 2HB LEU 95 4.633 -6.500 -5.439 656 2HB LEU 95 1HB LEU 95 4.132 -5.168 -6.465 657 HG LEU 95 HG LEU 95 1.844 -5.442 -5.508 658 1HD1 LEU 95 1HD1 LEU 95 3.141 -7.119 -3.415 659 2HD1 LEU 95 2HD1 LEU 95 1.951 -7.620 -4.623 660 3HD1 LEU 95 3HD1 LEU 95 1.493 -6.470 -3.397 661 1HD2 LEU 95 1HD2 LEU 95 2.353 -4.163 -3.486 662 2HD2 LEU 95 2HD2 LEU 95 3.243 -3.602 -4.902 663 3HD2 LEU 95 3HD2 LEU 95 4.055 -4.583 -3.678 664 H SER 96 H SER 96 1.477 -8.506 -6.466 665 HA SER 96 HA SER 96 3.275 -10.475 -5.510 666 1HB SER 96 2HB SER 96 0.249 -10.547 -5.746 667 2HB SER 96 1HB SER 96 1.220 -11.788 -4.956 668 HG SER 96 HG SER 96 0.217 -9.844 -3.761 669 H GLY 97 H GLY 97 1.584 -9.631 -8.527 670 1HA GLY 97 2HA GLY 97 2.253 -12.302 -9.489 671 2HA GLY 97 1HA GLY 97 0.969 -11.294 -10.122 672 H LYS 98 H LYS 98 2.630 -8.796 -10.355 673 HA LYS 98 HA LYS 98 3.765 -9.949 -12.750 674 1HB LYS 98 2HB LYS 98 3.340 -7.787 -13.890 675 2HB LYS 98 1HB LYS 98 1.974 -8.909 -13.702 676 1HG LYS 98 2HG LYS 98 0.932 -6.982 -13.124 677 2HG LYS 98 1HG LYS 98 1.721 -7.239 -11.567 678 1HD LYS 98 2HD LYS 98 2.091 -4.963 -12.271 679 2HD LYS 98 1HD LYS 98 3.616 -5.846 -12.355 680 1HE LYS 98 2HE LYS 98 3.244 -4.393 -14.324 681 2HE LYS 98 1HE LYS 98 3.390 -6.095 -14.754 682 1HZ LYS 98 1HZ LYS 98 1.044 -6.246 -15.084 683 2HZ LYS 98 2HZ LYS 98 1.557 -4.856 -15.899 684 3HZ LYS 98 3HZ LYS 98 0.764 -4.719 -14.425 685 H ALA 99 H ALA 99 4.304 -7.470 -10.712 686 HA ALA 99 HA ALA 99 6.467 -6.105 -11.668 687 1HB ALA 99 1HB ALA 99 7.095 -5.559 -9.397 688 2HB ALA 99 2HB ALA 99 6.199 -6.957 -8.794 689 3HB ALA 99 3HB ALA 99 5.332 -5.619 -9.544 Start of MODEL 9 1 H GLY 15 H GLY 15 3.069 -11.097 -1.842 2 1HA GLY 15 1HA GLY 15 4.386 -13.082 -2.501 3 2HA GLY 15 2HA GLY 15 4.341 -12.493 -4.162 4 H LEU 16 H LEU 16 5.025 -11.088 -0.951 5 HA LEU 16 HA LEU 16 7.521 -10.298 -1.934 6 1HB LEU 16 2HB LEU 16 7.128 -7.893 -1.164 7 2HB LEU 16 1HB LEU 16 6.668 -8.390 -2.763 8 HG LEU 16 HG LEU 16 4.352 -8.161 -2.255 9 1HD1 LEU 16 1HD1 LEU 16 4.389 -9.180 -0.022 10 2HD1 LEU 16 2HD1 LEU 16 3.525 -7.640 -0.057 11 3HD1 LEU 16 3HD1 LEU 16 5.165 -7.723 0.610 12 1HD2 LEU 16 1HD2 LEU 16 4.260 -5.862 -1.516 13 2HD2 LEU 16 2HD2 LEU 16 5.578 -6.134 -2.656 14 3HD2 LEU 16 3HD2 LEU 16 5.920 -5.980 -0.933 15 H ARG 17 H ARG 17 8.548 -8.805 -0.244 16 HA ARG 17 HA ARG 17 8.462 -10.409 2.147 17 1HB ARG 17 2HB ARG 17 10.410 -8.286 1.266 18 2HB ARG 17 1HB ARG 17 10.573 -9.314 2.683 19 1HG ARG 17 2HG ARG 17 10.714 -11.268 1.284 20 2HG ARG 17 1HG ARG 17 10.468 -10.272 -0.152 21 1HD ARG 17 2HD ARG 17 12.552 -9.059 0.389 22 2HD ARG 17 1HD ARG 17 12.801 -10.148 1.758 23 HE ARG 17 HE ARG 17 12.649 -11.949 -0.001 24 1HH1 ARG 17 1HH1 ARG 17 14.224 -8.813 -0.415 25 2HH1 ARG 17 2HH1 ARG 17 15.192 -9.283 -1.726 26 1HH2 ARG 17 1HH2 ARG 17 13.987 -12.610 -1.868 27 2HH2 ARG 17 2HH2 ARG 17 15.027 -11.458 -2.582 28 H GLU 18 H GLU 18 7.691 -7.217 0.904 29 HA GLU 18 HA GLU 18 6.211 -6.768 3.351 30 1HB GLU 18 2HB GLU 18 7.357 -4.643 3.927 31 2HB GLU 18 1HB GLU 18 8.249 -6.123 4.375 32 1HG GLU 18 2HG GLU 18 9.429 -5.516 2.027 33 2HG GLU 18 1HG GLU 18 8.732 -3.960 2.398 34 H ILE 19 H ILE 19 4.458 -5.333 3.093 35 HA ILE 19 HA ILE 19 4.996 -3.124 1.252 36 HB ILE 19 HB ILE 19 2.718 -4.699 0.991 37 1HG1 ILE 19 2HG1 ILE 19 1.657 -2.758 -0.165 38 2HG1 ILE 19 1HG1 ILE 19 2.956 -1.755 0.456 39 1HG2 ILE 19 1HG2 ILE 19 1.848 -2.323 2.679 40 2HG2 ILE 19 2HG2 ILE 19 1.765 -4.013 3.178 41 3HG2 ILE 19 3HG2 ILE 19 0.762 -3.439 1.848 42 1HD1 ILE 19 1HD1 ILE 19 3.348 -2.403 -1.826 43 2HD1 ILE 19 2HD1 ILE 19 3.252 -4.104 -1.374 44 3HD1 ILE 19 3HD1 ILE 19 4.566 -3.100 -0.760 45 H ARG 20 H ARG 20 4.950 -1.253 2.098 46 HA ARG 20 HA ARG 20 3.943 -0.897 4.817 47 1HB ARG 20 2HB ARG 20 6.660 0.099 3.874 48 2HB ARG 20 1HB ARG 20 5.926 0.471 5.426 49 1HG ARG 20 2HG ARG 20 6.033 -1.916 6.027 50 2HG ARG 20 1HG ARG 20 6.795 -2.257 4.477 51 1HD ARG 20 2HD ARG 20 8.486 -2.148 6.174 52 2HD ARG 20 1HD ARG 20 8.657 -0.759 5.110 53 HE ARG 20 HE ARG 20 7.081 -0.169 7.446 54 1HH1 ARG 20 1HH1 ARG 20 10.432 -0.433 6.286 55 2HH1 ARG 20 2HH1 ARG 20 11.069 0.551 7.506 56 1HH2 ARG 20 1HH2 ARG 20 7.957 1.158 9.097 57 2HH2 ARG 20 2HH2 ARG 20 9.642 1.458 9.170 58 H ILE 21 H ILE 21 2.384 0.530 4.517 59 HA ILE 21 HA ILE 21 2.251 2.225 2.199 60 HB ILE 21 HB ILE 21 1.022 3.214 4.631 61 1HG1 ILE 21 2HG1 ILE 21 -0.177 0.709 3.402 62 2HG1 ILE 21 1HG1 ILE 21 0.688 0.735 4.939 63 1HG2 ILE 21 1HG2 ILE 21 0.563 4.263 2.535 64 2HG2 ILE 21 2HG2 ILE 21 -0.935 3.553 3.140 65 3HG2 ILE 21 3HG2 ILE 21 -0.042 2.750 1.857 66 1HD1 ILE 21 1HD1 ILE 21 -1.694 0.792 5.342 67 2HD1 ILE 21 2HD1 ILE 21 -1.834 2.223 4.304 68 3HD1 ILE 21 3HD1 ILE 21 -0.930 2.321 5.808 69 H HIS 22 H HIS 22 3.017 4.210 2.115 70 HA HIS 22 HA HIS 22 4.412 5.270 4.488 71 1HB HIS 22 2HB HIS 22 5.451 4.788 2.048 72 2HB HIS 22 1HB HIS 22 4.608 6.258 1.627 73 HD1 HIS 22 1HD HIS 22 7.182 6.972 0.955 74 HD2 HIS 22 2HD HIS 22 6.360 6.558 5.017 75 HE1 HIS 22 1HE HIS 22 9.061 8.021 2.113 76 HE2 HIS 22 2HE HIS 22 8.755 7.379 4.487 77 H LEU 23 H LEU 23 2.879 6.667 5.451 78 HA LEU 23 HA LEU 23 0.701 7.547 3.711 79 1HB LEU 23 2HB LEU 23 0.241 5.955 5.580 80 2HB LEU 23 1HB LEU 23 0.818 7.151 6.712 81 HG LEU 23 HG LEU 23 -1.096 8.580 6.223 82 1HD1 LEU 23 1HD1 LEU 23 -2.878 7.828 4.742 83 2HD1 LEU 23 2HD1 LEU 23 -1.923 6.413 4.298 84 3HD1 LEU 23 3HD1 LEU 23 -1.364 8.029 3.861 85 1HD2 LEU 23 1HD2 LEU 23 -1.878 5.712 6.733 86 2HD2 LEU 23 2HD2 LEU 23 -2.854 7.133 7.106 87 3HD2 LEU 23 3HD2 LEU 23 -1.324 6.872 7.941 88 H CYS 24 H CYS 24 -0.374 9.559 5.248 89 HA CYS 24 HA CYS 24 1.338 11.300 6.524 90 1HB CYS 24 2HB CYS 24 2.316 11.552 4.219 91 2HB CYS 24 1HB CYS 24 0.760 12.195 3.700 92 H GLN 25 H GLN 25 0.062 12.727 7.579 93 HA GLN 25 HA GLN 25 -2.670 13.074 6.551 94 1HB GLN 25 2HB GLN 25 -1.600 13.430 9.372 95 2HB GLN 25 1HB GLN 25 -3.243 13.782 8.879 96 1HG GLN 25 2HG GLN 25 -3.283 11.711 10.013 97 2HG GLN 25 1HG GLN 25 -3.486 11.351 8.305 98 1HE2 GLN 25 1HE2 GLN 25 -2.799 9.266 8.573 99 2HE2 GLN 25 2HE2 GLN 25 -1.147 8.847 8.874 100 H ARG 26 H ARG 26 0.161 14.457 6.311 101 HA ARG 26 HA ARG 26 -0.641 17.122 7.125 102 1HB ARG 26 2HB ARG 26 1.416 16.396 8.119 103 2HB ARG 26 1HB ARG 26 2.080 15.944 6.567 104 1HG ARG 26 2HG ARG 26 1.404 18.806 7.136 105 2HG ARG 26 1HG ARG 26 2.893 18.097 7.764 106 1HD ARG 26 2HD ARG 26 3.544 17.475 5.488 107 2HD ARG 26 1HD ARG 26 2.055 18.179 4.868 108 HE ARG 26 HE ARG 26 3.169 20.209 6.209 109 1HH1 ARG 26 1HH1 ARG 26 4.479 18.006 3.753 110 2HH1 ARG 26 2HH1 ARG 26 5.586 19.144 3.126 111 1HH2 ARG 26 1HH2 ARG 26 4.589 21.821 5.214 112 2HH2 ARG 26 2HH2 ARG 26 5.576 21.378 3.907 113 H SER 27 H SER 27 0.563 15.471 4.097 114 HA SER 27 HA SER 27 0.023 18.031 2.797 115 1HB SER 27 2HB SER 27 1.690 15.669 1.915 116 2HB SER 27 1HB SER 27 1.408 17.121 0.953 117 HG SER 27 HG SER 27 3.104 17.723 1.871 118 HA PRO 28 HA PRO 28 -3.385 17.216 -0.022 119 1HB PRO 28 2HB PRO 28 -1.145 16.262 -1.803 120 2HB PRO 28 1HB PRO 28 -2.636 17.126 -2.255 121 1HG PRO 28 2HG PRO 28 -0.280 18.383 -1.809 122 2HG PRO 28 1HG PRO 28 -1.845 19.133 -1.461 123 1HD PRO 28 2HD PRO 28 0.223 18.348 0.403 124 2HD PRO 28 1HD PRO 28 -1.311 19.169 0.748 125 H GLY 29 H GLY 29 -4.644 15.602 0.572 126 1HA GLY 29 2HA GLY 29 -3.555 12.985 1.113 127 2HA GLY 29 1HA GLY 29 -5.160 13.556 1.508 128 H SER 30 H SER 30 -5.454 11.282 0.819 129 HA SER 30 HA SER 30 -6.529 11.221 -1.858 130 1HB SER 30 2HB SER 30 -4.535 9.147 -0.937 131 2HB SER 30 1HB SER 30 -5.406 9.166 -2.471 132 HG SER 30 HG SER 30 -4.131 11.493 -2.075 133 H GLN 31 H GLN 31 -8.228 10.097 -1.944 134 HA GLN 31 HA GLN 31 -9.368 9.535 0.641 135 1HB GLN 31 2HB GLN 31 -11.545 9.701 -0.492 136 2HB GLN 31 1HB GLN 31 -10.572 11.126 -0.789 137 1HG GLN 31 2HG GLN 31 -10.758 8.869 -2.785 138 2HG GLN 31 1HG GLN 31 -11.949 10.151 -2.730 139 1HE2 GLN 31 1HE2 GLN 31 -11.433 10.689 -4.848 140 2HE2 GLN 31 2HE2 GLN 31 -10.029 11.576 -5.304 141 H GLY 32 H GLY 32 -8.849 7.994 -2.458 142 1HA GLY 32 2HA GLY 32 -10.165 5.602 -1.719 143 2HA GLY 32 1HA GLY 32 -9.029 5.814 -3.056 144 H VAL 33 H VAL 33 -7.045 7.003 -1.295 145 HA VAL 33 HA VAL 33 -5.996 4.427 -0.554 146 HB VAL 33 HB VAL 33 -3.898 5.291 -0.134 147 1HG1 VAL 33 1HG1 VAL 33 -3.340 6.776 -1.975 148 2HG1 VAL 33 2HG1 VAL 33 -5.061 7.060 -2.230 149 3HG1 VAL 33 3HG1 VAL 33 -4.395 5.440 -2.428 150 1HG2 VAL 33 1HG2 VAL 33 -5.039 8.062 0.247 151 2HG2 VAL 33 2HG2 VAL 33 -3.321 7.652 0.291 152 3HG2 VAL 33 3HG2 VAL 33 -4.414 7.008 1.515 153 H ARG 34 H ARG 34 -7.002 7.296 1.244 154 HA ARG 34 HA ARG 34 -6.788 6.576 3.853 155 1HB ARG 34 2HB ARG 34 -7.908 8.597 2.705 156 2HB ARG 34 1HB ARG 34 -9.317 7.612 2.707 157 1HG ARG 34 2HG ARG 34 -9.395 7.405 5.085 158 2HG ARG 34 1HG ARG 34 -7.868 8.272 5.252 159 1HD ARG 34 2HD ARG 34 -10.422 9.389 4.109 160 2HD ARG 34 1HD ARG 34 -9.776 9.724 5.718 161 HE ARG 34 HE ARG 34 -7.748 10.525 4.360 162 1HH1 ARG 34 1HH1 ARG 34 -11.132 10.939 3.357 163 2HH1 ARG 34 2HH1 ARG 34 -10.862 12.401 2.549 164 1HH2 ARG 34 1HH2 ARG 34 -7.362 12.477 3.193 165 2HH2 ARG 34 2HH2 ARG 34 -8.665 13.311 2.443 166 H ASP 35 H ASP 35 -9.369 5.768 1.625 167 HA ASP 35 HA ASP 35 -10.914 4.022 3.263 168 1HB ASP 35 2HB ASP 35 -10.358 4.148 0.327 169 2HB ASP 35 1HB ASP 35 -11.219 2.789 0.895 170 H PHE 36 H PHE 36 -8.378 3.188 1.033 171 HA PHE 36 HA PHE 36 -8.258 0.596 1.847 172 1HB PHE 36 2HB PHE 36 -6.877 0.861 0.028 173 2HB PHE 36 1HB PHE 36 -6.433 2.468 0.527 174 HD1 PHE 36 1HD PHE 36 -5.334 -1.016 0.260 175 HD2 PHE 36 2HD PHE 36 -4.595 2.709 2.253 176 HE1 PHE 36 1HE PHE 36 -3.048 -1.657 0.619 177 HE2 PHE 36 2HE PHE 36 -2.270 2.005 2.605 178 HZ PHE 36 HZ PHE 36 -1.495 -0.168 1.786 179 H ILE 37 H ILE 37 -6.496 3.192 3.061 180 HA ILE 37 HA ILE 37 -4.866 2.029 5.024 181 HB ILE 37 HB ILE 37 -6.361 4.519 5.457 182 1HG1 ILE 37 2HG1 ILE 37 -5.392 5.175 3.343 183 2HG1 ILE 37 1HG1 ILE 37 -4.464 5.918 4.593 184 1HG2 ILE 37 1HG2 ILE 37 -3.669 3.722 6.526 185 2HG2 ILE 37 2HG2 ILE 37 -5.173 3.942 7.420 186 3HG2 ILE 37 3HG2 ILE 37 -4.340 5.339 6.735 187 1HD1 ILE 37 1HD1 ILE 37 -2.666 4.410 4.346 188 2HD1 ILE 37 2HD1 ILE 37 -3.172 5.081 2.773 189 3HD1 ILE 37 3HD1 ILE 37 -3.616 3.432 3.207 190 H GLU 38 H GLU 38 -8.298 2.852 5.193 191 HA GLU 38 HA GLU 38 -8.291 2.470 8.098 192 1HB GLU 38 2HB GLU 38 -8.862 4.666 7.679 193 2HB GLU 38 1HB GLU 38 -9.767 4.265 6.233 194 1HG GLU 38 2HG GLU 38 -11.470 3.372 7.447 195 2HG GLU 38 1HG GLU 38 -10.674 3.613 9.039 196 H LYS 39 H LYS 39 -10.365 2.247 5.339 197 HA LYS 39 HA LYS 39 -12.335 0.609 6.588 198 1HB LYS 39 2HB LYS 39 -12.729 2.517 5.040 199 2HB LYS 39 1HB LYS 39 -11.915 1.561 3.804 200 1HG LYS 39 2HG LYS 39 -13.685 -0.065 3.816 201 2HG LYS 39 1HG LYS 39 -14.478 0.751 5.172 202 1HD LYS 39 2HD LYS 39 -14.811 2.731 3.812 203 2HD LYS 39 1HD LYS 39 -13.970 1.972 2.463 204 1HE LYS 39 2HE LYS 39 -15.707 0.265 2.338 205 2HE LYS 39 1HE LYS 39 -16.531 0.997 3.715 206 1HZ LYS 39 1HZ LYS 39 -17.499 1.670 1.573 207 2HZ LYS 39 2HZ LYS 39 -16.013 2.348 1.130 208 3HZ LYS 39 3HZ LYS 39 -16.870 2.992 2.429 209 H ARG 40 H ARG 40 -9.640 0.288 4.281 210 HA ARG 40 HA ARG 40 -10.720 -2.294 3.630 211 1HB ARG 40 2HB ARG 40 -10.342 -0.752 1.786 212 2HB ARG 40 1HB ARG 40 -8.673 -0.560 2.265 213 1HG ARG 40 2HG ARG 40 -8.731 -1.965 0.375 214 2HG ARG 40 1HG ARG 40 -8.326 -2.944 1.780 215 1HD ARG 40 2HD ARG 40 -10.562 -3.852 1.852 216 2HD ARG 40 1HD ARG 40 -11.087 -2.762 0.564 217 HE ARG 40 HE ARG 40 -8.948 -4.154 -0.468 218 1HH1 ARG 40 1HH1 ARG 40 -12.220 -5.035 0.653 219 2HH1 ARG 40 2HH1 ARG 40 -12.310 -6.392 -0.365 220 1HH2 ARG 40 1HH2 ARG 40 -9.081 -6.103 -1.812 221 2HH2 ARG 40 2HH2 ARG 40 -10.515 -7.005 -1.749 222 H TYR 41 H TYR 41 -8.167 -0.670 5.341 223 HA TYR 41 HA TYR 41 -5.992 -2.223 5.481 224 1HB TYR 41 2HB TYR 41 -6.561 -0.395 7.147 225 2HB TYR 41 1HB TYR 41 -7.572 -1.541 7.921 226 HD1 TYR 41 1HD TYR 41 -6.886 -2.955 9.589 227 HD2 TYR 41 2HD TYR 41 -3.950 -1.122 7.118 228 HE1 TYR 41 1HE TYR 41 -5.159 -3.869 11.023 229 HE2 TYR 41 2HE TYR 41 -2.176 -2.029 8.552 230 HH TYR 41 HH TYR 41 -1.984 -2.796 10.967 231 H VAL 42 H VAL 42 -8.679 -3.218 7.494 232 HA VAL 42 HA VAL 42 -7.446 -5.605 8.255 233 HB VAL 42 HB VAL 42 -9.065 -4.800 9.709 234 1HG1 VAL 42 1HG1 VAL 42 -10.989 -4.576 7.407 235 2HG1 VAL 42 2HG1 VAL 42 -10.018 -3.294 8.131 236 3HG1 VAL 42 3HG1 VAL 42 -11.295 -4.073 9.091 237 1HG2 VAL 42 1HG2 VAL 42 -10.858 -6.490 9.827 238 2HG2 VAL 42 2HG2 VAL 42 -9.292 -7.222 9.466 239 3HG2 VAL 42 3HG2 VAL 42 -10.476 -6.999 8.180 240 H GLU 43 H GLU 43 -9.623 -4.846 5.657 241 HA GLU 43 HA GLU 43 -9.912 -7.558 4.606 242 1HB GLU 43 2HB GLU 43 -10.258 -4.942 3.136 243 2HB GLU 43 1HB GLU 43 -11.068 -6.468 2.844 244 1HG GLU 43 2HG GLU 43 -11.529 -4.738 5.266 245 2HG GLU 43 1HG GLU 43 -12.514 -4.697 3.811 246 H LEU 44 H LEU 44 -7.615 -4.927 4.337 247 HA LEU 44 HA LEU 44 -6.324 -5.838 1.968 248 1HB LEU 44 2HB LEU 44 -6.146 -3.564 2.523 249 2HB LEU 44 1HB LEU 44 -5.891 -3.905 4.212 250 HG LEU 44 HG LEU 44 -3.606 -4.732 3.548 251 1HD1 LEU 44 1HD1 LEU 44 -4.317 -3.398 1.030 252 2HD1 LEU 44 2HD1 LEU 44 -3.958 -5.126 1.293 253 3HD1 LEU 44 3HD1 LEU 44 -2.689 -3.901 1.518 254 1HD2 LEU 44 1HD2 LEU 44 -3.983 -2.632 4.667 255 2HD2 LEU 44 2HD2 LEU 44 -4.300 -1.849 3.118 256 3HD2 LEU 44 3HD2 LEU 44 -2.694 -2.487 3.475 257 H LYS 45 H LYS 45 -5.773 -6.082 5.357 258 HA LYS 45 HA LYS 45 -3.429 -7.573 5.228 259 1HB LYS 45 2HB LYS 45 -4.173 -6.259 7.162 260 2HB LYS 45 1HB LYS 45 -5.521 -7.354 7.391 261 1HG LYS 45 2HG LYS 45 -3.924 -9.158 7.891 262 2HG LYS 45 1HG LYS 45 -2.602 -7.992 7.734 263 1HD LYS 45 2HD LYS 45 -3.626 -6.626 9.501 264 2HD LYS 45 1HD LYS 45 -4.901 -7.832 9.679 265 1HE LYS 45 2HE LYS 45 -3.261 -8.156 11.408 266 2HE LYS 45 1HE LYS 45 -3.167 -9.501 10.275 267 1HZ LYS 45 1HZ LYS 45 -1.213 -8.506 9.278 268 2HZ LYS 45 2HZ LYS 45 -0.982 -8.621 10.955 269 3HZ LYS 45 3HZ LYS 45 -1.370 -7.142 10.250 270 H LYS 46 H LYS 46 -6.873 -8.394 5.319 271 HA LYS 46 HA LYS 46 -6.338 -11.212 5.590 272 1HB LYS 46 2HB LYS 46 -8.597 -11.496 5.915 273 2HB LYS 46 1HB LYS 46 -8.382 -9.847 6.482 274 1HG LYS 46 2HG LYS 46 -9.108 -9.162 4.047 275 2HG LYS 46 1HG LYS 46 -9.506 -10.750 3.853 276 1HD LYS 46 2HD LYS 46 -10.994 -10.824 5.801 277 2HD LYS 46 1HD LYS 46 -10.771 -9.076 5.963 278 1HE LYS 46 2HE LYS 46 -11.625 -8.715 3.760 279 2HE LYS 46 1HE LYS 46 -11.766 -10.455 3.479 280 1HZ LYS 46 1HZ LYS 46 -13.282 -8.815 5.423 281 2HZ LYS 46 2HZ LYS 46 -13.378 -10.526 5.301 282 3HZ LYS 46 3HZ LYS 46 -13.870 -9.570 4.027 283 H ALA 47 H ALA 47 -7.114 -8.922 2.904 284 HA ALA 47 HA ALA 47 -8.154 -10.958 1.427 285 1HB ALA 47 1HB ALA 47 -7.265 -8.263 0.427 286 2HB ALA 47 2HB ALA 47 -8.892 -8.714 0.940 287 3HB ALA 47 3HB ALA 47 -8.196 -9.414 -0.528 288 H ASN 48 H ASN 48 -5.048 -9.464 1.832 289 HA ASN 48 HA ASN 48 -3.923 -11.098 -0.248 290 1HB ASN 48 2HB ASN 48 -2.885 -8.354 0.565 291 2HB ASN 48 1HB ASN 48 -2.336 -9.342 -0.766 292 1HD2 ASN 48 1HD2 ASN 48 -3.026 -6.578 -1.073 293 2HD2 ASN 48 2HD2 ASN 48 -4.372 -6.492 -2.113 294 HA PRO 49 HA PRO 49 -2.361 -12.158 3.990 295 1HB PRO 49 2HB PRO 49 -2.178 -14.812 3.496 296 2HB PRO 49 1HB PRO 49 -3.732 -14.055 3.882 297 1HG PRO 49 2HG PRO 49 -2.552 -14.651 1.195 298 2HG PRO 49 1HG PRO 49 -4.150 -15.105 1.765 299 1HD PRO 49 2HD PRO 49 -3.810 -12.960 0.240 300 2HD PRO 49 1HD PRO 49 -4.931 -12.808 1.597 301 H ASP 50 H ASP 50 -1.507 -13.165 0.973 302 HA ASP 50 HA ASP 50 1.319 -13.705 1.339 303 1HB ASP 50 2HB ASP 50 -0.043 -14.791 -0.415 304 2HB ASP 50 1HB ASP 50 -0.332 -13.236 -1.169 305 H LEU 51 H LEU 51 0.049 -11.010 2.022 306 HA LEU 51 HA LEU 51 2.003 -9.319 0.702 307 1HB LEU 51 2HB LEU 51 -0.350 -9.207 -0.214 308 2HB LEU 51 1HB LEU 51 -0.881 -8.502 1.279 309 HG LEU 51 HG LEU 51 0.678 -7.386 -0.975 310 1HD1 LEU 51 1HD1 LEU 51 -0.681 -5.434 -0.638 311 2HD1 LEU 51 2HD1 LEU 51 -1.452 -6.224 0.739 312 3HD1 LEU 51 3HD1 LEU 51 -1.619 -6.908 -0.878 313 1HD2 LEU 51 1HD2 LEU 51 0.935 -6.271 1.789 314 2HD2 LEU 51 2HD2 LEU 51 1.481 -5.494 0.300 315 3HD2 LEU 51 3HD2 LEU 51 2.220 -7.005 0.834 316 HA PRO 52 HA PRO 52 2.698 -8.590 5.419 317 1HB PRO 52 2HB PRO 52 4.498 -6.918 3.802 318 2HB PRO 52 1HB PRO 52 4.787 -7.722 5.339 319 1HG PRO 52 2HG PRO 52 5.660 -8.684 2.964 320 2HG PRO 52 1HG PRO 52 5.204 -9.755 4.288 321 1HD PRO 52 2HD PRO 52 3.875 -9.283 1.719 322 2HD PRO 52 1HD PRO 52 3.579 -10.570 2.898 323 H ILE 53 H ILE 53 1.783 -6.897 6.435 324 HA ILE 53 HA ILE 53 1.050 -4.471 4.862 325 HB ILE 53 HB ILE 53 -0.639 -5.710 7.058 326 1HG1 ILE 53 2HG1 ILE 53 -0.680 -7.139 5.052 327 2HG1 ILE 53 1HG1 ILE 53 -2.237 -6.379 5.332 328 1HG2 ILE 53 1HG2 ILE 53 -2.384 -4.139 6.327 329 2HG2 ILE 53 2HG2 ILE 53 -1.240 -3.416 5.203 330 3HG2 ILE 53 3HG2 ILE 53 -0.945 -3.322 6.940 331 1HD1 ILE 53 1HD1 ILE 53 -0.193 -5.529 3.284 332 2HD1 ILE 53 2HD1 ILE 53 -1.761 -4.765 3.568 333 3HD1 ILE 53 3HD1 ILE 53 -1.691 -6.414 2.977 334 H LEU 54 H LEU 54 2.518 -2.967 5.661 335 HA LEU 54 HA LEU 54 2.360 -2.378 8.550 336 1HB LEU 54 2HB LEU 54 4.822 -2.114 6.795 337 2HB LEU 54 1HB LEU 54 4.703 -1.506 8.424 338 HG LEU 54 HG LEU 54 5.997 -3.436 8.547 339 1HD1 LEU 54 1HD1 LEU 54 4.736 -4.985 9.916 340 2HD1 LEU 54 2HD1 LEU 54 3.241 -4.206 9.404 341 3HD1 LEU 54 3HD1 LEU 54 4.438 -3.298 10.330 342 1HD2 LEU 54 1HD2 LEU 54 5.524 -4.431 6.383 343 2HD2 LEU 54 2HD2 LEU 54 3.918 -4.913 6.928 344 3HD2 LEU 54 3HD2 LEU 54 5.352 -5.641 7.655 345 H ILE 55 H ILE 55 2.859 -0.004 9.071 346 HA ILE 55 HA ILE 55 2.108 1.763 6.867 347 HB ILE 55 HB ILE 55 1.128 1.937 9.761 348 1HG1 ILE 55 2HG1 ILE 55 -1.205 1.965 8.580 349 2HG1 ILE 55 1HG1 ILE 55 -0.335 1.369 7.191 350 1HG2 ILE 55 1HG2 ILE 55 -0.131 3.934 9.117 351 2HG2 ILE 55 2HG2 ILE 55 0.634 3.890 7.529 352 3HG2 ILE 55 3HG2 ILE 55 1.613 4.162 8.971 353 1HD1 ILE 55 1HD1 ILE 55 -0.491 -0.015 9.851 354 2HD1 ILE 55 2HD1 ILE 55 0.344 -0.604 8.414 355 3HD1 ILE 55 3HD1 ILE 55 -1.411 -0.428 8.403 356 H ARG 56 H ARG 56 3.306 3.480 6.657 357 HA ARG 56 HA ARG 56 5.341 4.250 8.659 358 1HB ARG 56 2HB ARG 56 5.324 4.679 5.679 359 2HB ARG 56 1HB ARG 56 6.536 5.265 6.774 360 1HG ARG 56 2HG ARG 56 7.280 2.996 7.254 361 2HG ARG 56 1HG ARG 56 6.025 2.351 6.174 362 1HD ARG 56 2HD ARG 56 6.955 3.454 4.295 363 2HD ARG 56 1HD ARG 56 8.046 4.388 5.298 364 HE ARG 56 HE ARG 56 8.373 1.485 5.148 365 1HH1 ARG 56 1HH1 ARG 56 9.658 4.768 4.743 366 2HH1 ARG 56 2HH1 ARG 56 11.090 4.303 3.979 367 1HH2 ARG 56 1HH2 ARG 56 10.504 0.781 4.160 368 2HH2 ARG 56 2HH2 ARG 56 11.584 1.991 3.684 369 H GLU 57 H GLU 57 5.935 6.585 8.285 370 HA GLU 57 HA GLU 57 3.492 8.204 8.247 371 1HB GLU 57 2HB GLU 57 6.188 8.778 9.462 372 2HB GLU 57 1HB GLU 57 4.812 9.872 9.507 373 1HG GLU 57 2HG GLU 57 3.556 8.283 10.820 374 2HG GLU 57 1HG GLU 57 4.881 7.119 10.710 375 H CYS 58 H CYS 58 3.817 10.519 7.651 376 HA CYS 58 HA CYS 58 3.731 11.144 5.200 377 1HB CYS 58 2HB CYS 58 5.154 12.846 7.207 378 2HB CYS 58 1HB CYS 58 4.853 13.412 5.572 379 H SER 59 H SER 59 6.881 12.437 5.891 380 HA SER 59 HA SER 59 8.749 12.571 4.788 381 1HB SER 59 2HB SER 59 8.150 9.798 3.803 382 2HB SER 59 1HB SER 59 9.728 10.587 3.775 383 HG SER 59 HG SER 59 9.304 10.892 6.128 384 H ASP 60 H ASP 60 6.027 11.904 2.411 385 HA ASP 60 HA ASP 60 7.718 13.352 0.488 386 1HB ASP 60 2HB ASP 60 5.689 11.191 -0.207 387 2HB ASP 60 1HB ASP 60 6.588 12.149 -1.365 388 H VAL 61 H VAL 61 4.554 12.468 -0.475 389 HA VAL 61 HA VAL 61 3.530 15.028 0.472 390 HB VAL 61 HB VAL 61 2.604 13.423 -1.947 391 1HG1 VAL 61 1HG1 VAL 61 1.076 15.293 -2.394 392 2HG1 VAL 61 2HG1 VAL 61 1.567 16.044 -0.875 393 3HG1 VAL 61 3HG1 VAL 61 0.714 14.501 -0.858 394 1HG2 VAL 61 1HG2 VAL 61 4.672 14.628 -2.394 395 2HG2 VAL 61 2HG2 VAL 61 3.935 16.112 -1.767 396 3HG2 VAL 61 3HG2 VAL 61 3.305 15.375 -3.237 397 H GLN 62 H GLN 62 2.517 11.685 -0.270 398 HA GLN 62 HA GLN 62 1.149 11.613 2.162 399 1HB GLN 62 2HB GLN 62 -0.285 13.260 0.924 400 2HB GLN 62 1HB GLN 62 -0.879 11.926 -0.051 401 1HG GLN 62 2HG GLN 62 -1.114 11.911 2.950 402 2HG GLN 62 1HG GLN 62 -2.277 12.753 1.946 403 1HE2 GLN 62 1HE2 GLN 62 -2.287 10.802 -0.145 404 2HE2 GLN 62 2HE2 GLN 62 -3.085 9.409 0.490 405 HA PRO 63 HA PRO 63 -0.521 7.532 0.412 406 1HB PRO 63 2HB PRO 63 -1.257 7.258 -2.117 407 2HB PRO 63 1HB PRO 63 -2.233 8.194 -1.005 408 1HG PRO 63 2HG PRO 63 -0.579 9.071 -3.256 409 2HG PRO 63 1HG PRO 63 -1.848 9.951 -2.398 410 1HD PRO 63 2HD PRO 63 1.035 10.144 -2.102 411 2HD PRO 63 1HD PRO 63 -0.223 11.157 -1.368 412 H LYS 64 H LYS 64 2.103 7.211 0.428 413 HA LYS 64 HA LYS 64 2.889 6.120 -2.243 414 1HB LYS 64 2HB LYS 64 4.720 6.567 0.166 415 2HB LYS 64 1HB LYS 64 5.202 6.137 -1.455 416 1HG LYS 64 2HG LYS 64 5.837 8.400 -1.059 417 2HG LYS 64 1HG LYS 64 4.490 8.421 -2.191 418 1HD LYS 64 2HD LYS 64 4.093 10.171 -0.570 419 2HD LYS 64 1HD LYS 64 3.025 8.781 -0.370 420 1HE LYS 64 2HE LYS 64 4.356 7.990 1.510 421 2HE LYS 64 1HE LYS 64 5.530 9.274 1.250 422 1HZ LYS 64 1HZ LYS 64 3.733 10.889 1.849 423 2HZ LYS 64 2HZ LYS 64 4.158 9.843 3.075 424 3HZ LYS 64 3HZ LYS 64 2.736 9.562 2.224 425 H LEU 65 H LEU 65 3.612 4.081 -2.385 426 HA LEU 65 HA LEU 65 3.104 2.482 0.032 427 1HB LEU 65 2HB LEU 65 2.317 2.214 -2.702 428 2HB LEU 65 1HB LEU 65 2.967 0.740 -2.047 429 HG LEU 65 HG LEU 65 0.482 0.746 -1.764 430 1HD1 LEU 65 1HD1 LEU 65 1.998 0.956 0.824 431 2HD1 LEU 65 2HD1 LEU 65 1.825 -0.486 -0.177 432 3HD1 LEU 65 3HD1 LEU 65 0.412 0.215 0.615 433 1HD2 LEU 65 1HD2 LEU 65 -0.569 2.262 -0.153 434 2HD2 LEU 65 2HD2 LEU 65 0.116 3.150 -1.514 435 3HD2 LEU 65 3HD2 LEU 65 0.960 3.121 0.038 436 H TRP 66 H TRP 66 4.859 1.696 0.848 437 HA TRP 66 HA TRP 66 7.071 1.439 -0.883 438 1HB TRP 66 2HB TRP 66 7.784 2.266 1.251 439 2HB TRP 66 1HB TRP 66 6.769 1.123 2.133 440 HD1 TRP 66 HD TRP 66 7.854 -1.220 2.765 441 HE1 TRP 66 1HE TRP 66 10.135 -2.315 2.338 442 HE3 TRP 66 3HE TRP 66 9.730 2.246 -0.389 443 HZ2 TRP 66 2HZ TRP 66 12.480 -1.695 0.787 444 HZ3 TRP 66 3HZ TRP 66 11.949 1.948 -1.311 445 HH2 TRP 66 HH TRP 66 13.264 0.104 -0.809 446 H ALA 67 H ALA 67 7.760 -0.487 -1.576 447 HA ALA 67 HA ALA 67 6.551 -2.924 -0.613 448 1HB ALA 67 1HB ALA 67 5.411 -2.344 -2.653 449 2HB ALA 67 2HB ALA 67 6.466 -3.728 -2.939 450 3HB ALA 67 3HB ALA 67 6.949 -2.122 -3.484 451 H ARG 68 H ARG 68 8.146 -4.502 -0.325 452 HA ARG 68 HA ARG 68 10.490 -4.309 -1.957 453 1HB ARG 68 2HB ARG 68 10.950 -3.583 0.539 454 2HB ARG 68 1HB ARG 68 10.713 -5.293 0.895 455 1HG ARG 68 2HG ARG 68 13.005 -5.200 0.602 456 2HG ARG 68 1HG ARG 68 12.436 -5.642 -1.018 457 1HD ARG 68 2HD ARG 68 12.450 -3.028 -1.457 458 2HD ARG 68 1HD ARG 68 13.395 -3.002 -0.006 459 HE ARG 68 HE ARG 68 14.446 -4.850 -1.903 460 1HH1 ARG 68 1HH1 ARG 68 14.679 -1.603 -0.567 461 2HH1 ARG 68 2HH1 ARG 68 15.920 -1.091 -1.611 462 1HH2 ARG 68 1HH2 ARG 68 16.301 -4.156 -3.314 463 2HH2 ARG 68 2HH2 ARG 68 16.855 -2.552 -3.131 464 H TYR 69 H TYR 69 9.876 -5.648 -3.072 465 HA TYR 69 HA TYR 69 8.175 -7.877 -2.492 466 1HB TYR 69 2HB TYR 69 9.835 -7.543 -5.010 467 2HB TYR 69 1HB TYR 69 8.389 -8.517 -4.820 468 HD1 TYR 69 1HD TYR 69 6.190 -7.277 -4.400 469 HD2 TYR 69 2HD TYR 69 9.713 -5.315 -5.726 470 HE1 TYR 69 1HE TYR 69 4.848 -5.427 -5.202 471 HE2 TYR 69 2HE TYR 69 8.363 -3.428 -6.544 472 HH TYR 69 HH TYR 69 5.988 -2.967 -7.252 473 H ALA 70 H ALA 70 8.737 -10.216 -2.913 474 HA ALA 70 HA ALA 70 11.466 -10.839 -2.059 475 1HB ALA 70 1HB ALA 70 9.134 -12.721 -2.544 476 2HB ALA 70 2HB ALA 70 9.512 -12.006 -0.978 477 3HB ALA 70 3HB ALA 70 10.654 -13.112 -1.739 478 H PHE 71 H PHE 71 9.886 -10.348 -4.861 479 HA PHE 71 HA PHE 71 11.612 -11.934 -6.484 480 1HB PHE 71 2HB PHE 71 10.404 -9.211 -7.111 481 2HB PHE 71 1HB PHE 71 10.960 -10.409 -8.277 482 HD1 PHE 71 1HD PHE 71 9.735 -12.698 -8.223 483 HD2 PHE 71 2HD PHE 71 8.179 -9.118 -6.544 484 HE1 PHE 71 1HE PHE 71 7.470 -13.637 -8.323 485 HE2 PHE 71 2HE PHE 71 5.912 -10.050 -6.637 486 HZ PHE 71 HZ PHE 71 5.557 -12.315 -7.524 487 H GLY 72 H GLY 72 11.682 -9.086 -4.612 488 1HA GLY 72 2HA GLY 72 13.443 -8.329 -3.510 489 2HA GLY 72 1HA GLY 72 14.537 -9.020 -4.667 490 H GLN 73 H GLN 73 11.916 -7.174 -5.946 491 HA GLN 73 HA GLN 73 13.645 -4.878 -6.427 492 1HB GLN 73 2HB GLN 73 10.789 -5.358 -7.336 493 2HB GLN 73 1HB GLN 73 11.738 -3.941 -7.734 494 1HG GLN 73 2HG GLN 73 11.809 -5.238 -9.649 495 2HG GLN 73 1HG GLN 73 13.347 -5.575 -8.862 496 1HE2 GLN 73 1HE2 GLN 73 10.206 -6.791 -9.674 497 2HE2 GLN 73 2HE2 GLN 73 10.534 -8.440 -9.407 498 H GLU 74 H GLU 74 12.773 -2.669 -5.978 499 HA GLU 74 HA GLU 74 11.125 -2.756 -3.572 500 1HB GLU 74 2HB GLU 74 12.187 -0.805 -2.700 501 2HB GLU 74 1HB GLU 74 13.460 -1.898 -3.188 502 1HG GLU 74 2HG GLU 74 12.530 0.520 -4.714 503 2HG GLU 74 1HG GLU 74 13.959 0.450 -3.688 504 H THR 75 H THR 75 9.936 -0.670 -3.224 505 HA THR 75 HA THR 75 9.248 0.933 -5.430 506 HB THR 75 HB THR 75 7.634 -1.383 -4.579 507 HG1 THR 75 1HG THR 75 8.718 -1.280 -6.538 508 1HG2 THR 75 1HG2 THR 75 6.100 0.280 -3.925 509 2HG2 THR 75 2HG2 THR 75 5.503 -0.372 -5.450 510 3HG2 THR 75 3HG2 THR 75 6.313 1.211 -5.415 511 H ASN 76 H ASN 76 8.632 2.762 -4.578 512 HA ASN 76 HA ASN 76 7.227 2.852 -2.040 513 1HB ASN 76 2HB ASN 76 8.766 4.825 -1.274 514 2HB ASN 76 1HB ASN 76 9.381 3.194 -1.079 515 1HD2 ASN 76 1HD2 ASN 76 11.326 2.544 -2.264 516 2HD2 ASN 76 2HD2 ASN 76 12.113 3.693 -3.270 517 H VAL 77 H VAL 77 5.394 3.521 -3.044 518 HA VAL 77 HA VAL 77 5.758 6.112 -4.391 519 HB VAL 77 HB VAL 77 6.433 4.875 -5.695 520 1HG1 VAL 77 1HG1 VAL 77 5.078 3.040 -7.139 521 2HG1 VAL 77 2HG1 VAL 77 3.837 3.264 -5.904 522 3HG1 VAL 77 3HG1 VAL 77 5.430 2.649 -5.455 523 1HG2 VAL 77 1HG2 VAL 77 5.468 6.627 -6.891 524 2HG2 VAL 77 2HG2 VAL 77 3.874 5.870 -6.888 525 3HG2 VAL 77 3HG2 VAL 77 5.143 5.251 -7.944 526 HA PRO 78 HA PRO 78 1.801 7.757 -3.405 527 1HB PRO 78 2HB PRO 78 2.563 9.391 -5.745 528 2HB PRO 78 1HB PRO 78 2.117 9.906 -4.113 529 1HG PRO 78 2HG PRO 78 4.644 10.018 -4.974 530 2HG PRO 78 1HG PRO 78 4.238 9.616 -3.294 531 1HD PRO 78 2HD PRO 78 5.124 7.788 -5.497 532 2HD PRO 78 1HD PRO 78 5.441 7.639 -3.768 533 H LEU 79 H LEU 79 0.421 6.461 -3.875 534 HA LEU 79 HA LEU 79 -0.276 6.069 -6.647 535 1HB LEU 79 2HB LEU 79 -1.204 3.880 -5.856 536 2HB LEU 79 1HB LEU 79 0.519 4.270 -5.560 537 HG LEU 79 HG LEU 79 0.344 4.287 -3.306 538 1HD1 LEU 79 1HD1 LEU 79 -2.666 4.120 -3.537 539 2HD1 LEU 79 2HD1 LEU 79 -1.765 5.548 -3.032 540 3HD1 LEU 79 3HD1 LEU 79 -1.730 4.090 -2.043 541 1HD2 LEU 79 1HD2 LEU 79 0.355 2.125 -4.349 542 2HD2 LEU 79 2HD2 LEU 79 -1.408 2.118 -4.410 543 3HD2 LEU 79 3HD2 LEU 79 -0.580 2.081 -2.854 544 H ASN 80 H ASN 80 -0.855 8.248 -5.306 545 HA ASN 80 HA ASN 80 -3.136 9.000 -4.107 546 1HB ASN 80 2HB ASN 80 -1.563 10.604 -4.659 547 2HB ASN 80 1HB ASN 80 -1.597 10.258 -6.360 548 1HD2 ASN 80 1HD2 ASN 80 -4.184 11.064 -4.041 549 2HD2 ASN 80 2HD2 ASN 80 -4.724 12.464 -4.913 550 H ASN 81 H ASN 81 -3.146 7.784 -7.262 551 HA ASN 81 HA ASN 81 -5.858 8.866 -7.789 552 1HB ASN 81 2HB ASN 81 -3.903 7.667 -9.747 553 2HB ASN 81 1HB ASN 81 -5.505 8.267 -10.159 554 1HD2 ASN 81 1HD2 ASN 81 -2.296 9.080 -9.226 555 2HD2 ASN 81 2HD2 ASN 81 -2.384 10.774 -9.529 556 H PHE 82 H PHE 82 -5.244 6.268 -6.209 557 HA PHE 82 HA PHE 82 -7.247 4.738 -7.707 558 1HB PHE 82 2HB PHE 82 -4.957 3.544 -6.116 559 2HB PHE 82 1HB PHE 82 -6.251 2.657 -6.913 560 HD1 PHE 82 1HD PHE 82 -3.035 4.237 -7.302 561 HD2 PHE 82 2HD PHE 82 -6.371 2.613 -9.386 562 HE1 PHE 82 1HE PHE 82 -1.670 4.058 -9.339 563 HE2 PHE 82 2HE PHE 82 -5.012 2.432 -11.426 564 HZ PHE 82 HZ PHE 82 -2.660 3.153 -11.405 565 H SER 83 H SER 83 -8.711 3.817 -6.692 566 HA SER 83 HA SER 83 -9.474 4.824 -4.108 567 1HB SER 83 2HB SER 83 -10.772 2.964 -6.057 568 2HB SER 83 1HB SER 83 -11.618 3.680 -4.656 569 HG SER 83 HG SER 83 -11.863 5.466 -5.853 570 H ALA 84 H ALA 84 -10.614 3.098 -2.627 571 HA ALA 84 HA ALA 84 -8.827 1.744 -1.203 572 1HB ALA 84 1HB ALA 84 -11.732 1.095 -1.516 573 2HB ALA 84 2HB ALA 84 -10.952 2.264 -0.421 574 3HB ALA 84 3HB ALA 84 -10.693 0.541 -0.194 575 H ASP 85 H ASP 85 -11.072 0.181 -3.524 576 HA ASP 85 HA ASP 85 -10.030 -2.471 -3.148 577 1HB ASP 85 2HB ASP 85 -11.812 -1.456 -5.380 578 2HB ASP 85 1HB ASP 85 -11.493 -3.143 -5.010 579 H GLN 86 H GLN 86 -9.524 0.104 -5.351 580 HA GLN 86 HA GLN 86 -8.054 -1.388 -7.328 581 1HB GLN 86 2HB GLN 86 -7.991 1.572 -6.724 582 2HB GLN 86 1HB GLN 86 -7.333 0.795 -8.161 583 1HG GLN 86 2HG GLN 86 -10.226 0.846 -7.358 584 2HG GLN 86 1HG GLN 86 -9.478 1.856 -8.595 585 1HE2 GLN 86 1HE2 GLN 86 -7.774 -0.249 -9.606 586 2HE2 GLN 86 2HE2 GLN 86 -8.773 -1.340 -10.471 587 H VAL 87 H VAL 87 -6.979 0.703 -4.691 588 HA VAL 87 HA VAL 87 -4.309 0.056 -5.217 589 HB VAL 87 HB VAL 87 -3.781 0.806 -2.859 590 1HG1 VAL 87 1HG1 VAL 87 -4.386 3.128 -3.202 591 2HG1 VAL 87 2HG1 VAL 87 -5.558 2.647 -4.424 592 3HG1 VAL 87 3HG1 VAL 87 -3.829 2.402 -4.714 593 1HG2 VAL 87 1HG2 VAL 87 -5.523 1.836 -1.564 594 2HG2 VAL 87 2HG2 VAL 87 -5.834 0.120 -1.806 595 3HG2 VAL 87 3HG2 VAL 87 -6.728 1.322 -2.744 596 H THR 88 H THR 88 -6.684 -1.591 -3.162 597 HA THR 88 HA THR 88 -4.667 -3.334 -2.226 598 HB THR 88 HB THR 88 -6.625 -4.834 -1.491 599 HG1 THR 88 1HG THR 88 -8.052 -2.424 -2.088 600 1HG2 THR 88 1HG2 THR 88 -5.353 -3.396 -0.024 601 2HG2 THR 88 2HG2 THR 88 -7.067 -3.359 0.390 602 3HG2 THR 88 3HG2 THR 88 -6.342 -2.016 -0.498 603 H ARG 89 H ARG 89 -6.906 -3.741 -4.717 604 HA ARG 89 HA ARG 89 -6.035 -6.427 -5.268 605 1HB ARG 89 2HB ARG 89 -8.323 -5.720 -5.843 606 2HB ARG 89 1HB ARG 89 -7.675 -4.613 -7.045 607 1HG ARG 89 2HG ARG 89 -6.798 -6.458 -8.326 608 2HG ARG 89 1HG ARG 89 -7.328 -7.600 -7.087 609 1HD ARG 89 2HD ARG 89 -9.641 -6.931 -7.483 610 2HD ARG 89 1HD ARG 89 -9.099 -5.811 -8.732 611 HE ARG 89 HE ARG 89 -8.062 -8.122 -9.566 612 1HH1 ARG 89 1HH1 ARG 89 -11.344 -7.435 -8.385 613 2HH1 ARG 89 2HH1 ARG 89 -12.071 -8.494 -9.530 614 1HH2 ARG 89 1HH2 ARG 89 -9.119 -9.554 -11.098 615 2HH2 ARG 89 2HH2 ARG 89 -10.812 -9.731 -11.018 616 H ALA 90 H ALA 90 -5.370 -3.276 -6.745 617 HA ALA 90 HA ALA 90 -3.592 -4.329 -8.729 618 1HB ALA 90 1HB ALA 90 -3.564 -1.572 -7.475 619 2HB ALA 90 2HB ALA 90 -4.531 -2.029 -8.879 620 3HB ALA 90 3HB ALA 90 -2.769 -2.051 -8.974 621 H LEU 91 H LEU 91 -3.137 -3.372 -5.337 622 HA LEU 91 HA LEU 91 -0.371 -3.669 -5.258 623 1HB LEU 91 2HB LEU 91 -2.481 -4.018 -3.098 624 2HB LEU 91 1HB LEU 91 -1.032 -4.880 -2.968 625 HG LEU 91 HG LEU 91 0.401 -3.067 -2.788 626 1HD1 LEU 91 1HD1 LEU 91 -0.233 -0.735 -3.053 627 2HD1 LEU 91 2HD1 LEU 91 -1.852 -1.228 -3.550 628 3HD1 LEU 91 3HD1 LEU 91 -0.459 -1.642 -4.550 629 1HD2 LEU 91 1HD2 LEU 91 -0.850 -3.538 -0.772 630 2HD2 LEU 91 2HD2 LEU 91 -2.109 -2.405 -1.265 631 3HD2 LEU 91 3HD2 LEU 91 -0.491 -1.815 -0.890 632 H GLU 92 H GLU 92 -2.877 -6.079 -4.711 633 HA GLU 92 HA GLU 92 -1.032 -8.195 -4.296 634 1HB GLU 92 2HB GLU 92 -3.632 -7.956 -3.800 635 2HB GLU 92 1HB GLU 92 -3.805 -8.589 -5.416 636 1HG GLU 92 2HG GLU 92 -2.416 -10.017 -3.165 637 2HG GLU 92 1HG GLU 92 -4.104 -10.229 -3.588 638 H ASN 93 H ASN 93 -2.619 -7.096 -7.146 639 HA ASN 93 HA ASN 93 -1.627 -8.931 -8.976 640 1HB ASN 93 2HB ASN 93 -2.651 -6.203 -8.998 641 2HB ASN 93 1HB ASN 93 -1.753 -6.526 -10.438 642 1HD2 ASN 93 1HD2 ASN 93 -4.565 -7.131 -8.593 643 2HD2 ASN 93 2HD2 ASN 93 -5.420 -8.114 -9.726 644 H VAL 94 H VAL 94 -0.180 -5.741 -8.193 645 HA VAL 94 HA VAL 94 2.269 -6.298 -9.572 646 HB VAL 94 HB VAL 94 3.285 -4.631 -8.192 647 1HG1 VAL 94 1HG1 VAL 94 0.869 -3.791 -9.851 648 2HG1 VAL 94 2HG1 VAL 94 2.504 -4.067 -10.455 649 3HG1 VAL 94 3HG1 VAL 94 2.164 -2.676 -9.425 650 1HG2 VAL 94 1HG2 VAL 94 1.867 -2.883 -7.093 651 2HG2 VAL 94 2HG2 VAL 94 1.905 -4.451 -6.284 652 3HG2 VAL 94 3HG2 VAL 94 0.508 -3.994 -7.258 653 H LEU 95 H LEU 95 1.443 -6.809 -6.282 654 HA LEU 95 HA LEU 95 4.206 -7.329 -6.170 655 1HB LEU 95 2HB LEU 95 4.006 -7.350 -3.697 656 2HB LEU 95 1HB LEU 95 3.539 -5.890 -4.554 657 HG LEU 95 HG LEU 95 1.175 -6.686 -4.355 658 1HD1 LEU 95 1HD1 LEU 95 1.505 -8.972 -3.743 659 2HD1 LEU 95 2HD1 LEU 95 0.567 -8.112 -2.528 660 3HD1 LEU 95 3HD1 LEU 95 2.271 -8.484 -2.226 661 1HD2 LEU 95 1HD2 LEU 95 0.924 -5.751 -2.117 662 2HD2 LEU 95 2HD2 LEU 95 2.011 -4.813 -3.142 663 3HD2 LEU 95 3HD2 LEU 95 2.668 -5.874 -1.896 664 H SER 96 H SER 96 1.562 -9.213 -6.400 665 HA SER 96 HA SER 96 3.173 -11.261 -5.289 666 1HB SER 96 2HB SER 96 0.380 -11.458 -6.398 667 2HB SER 96 1HB SER 96 1.256 -12.782 -5.615 668 HG SER 96 HG SER 96 -0.232 -11.276 -4.427 669 H GLY 97 H GLY 97 2.335 -9.918 -8.434 670 1HA GLY 97 2HA GLY 97 4.279 -11.815 -9.444 671 2HA GLY 97 1HA GLY 97 2.677 -11.921 -10.132 672 H LYS 98 H LYS 98 3.561 -8.587 -9.443 673 HA LYS 98 HA LYS 98 3.951 -8.506 -12.387 674 1HB LYS 98 2HB LYS 98 1.916 -7.299 -11.263 675 2HB LYS 98 1HB LYS 98 3.101 -6.117 -10.767 676 1HG LYS 98 2HG LYS 98 2.534 -6.852 -13.637 677 2HG LYS 98 1HG LYS 98 1.768 -5.520 -12.786 678 1HD LYS 98 2HD LYS 98 4.023 -4.526 -12.447 679 2HD LYS 98 1HD LYS 98 4.697 -5.832 -13.425 680 1HE LYS 98 2HE LYS 98 4.369 -3.846 -14.788 681 2HE LYS 98 1HE LYS 98 3.286 -5.135 -15.312 682 1HZ LYS 98 1HZ LYS 98 2.119 -3.004 -15.208 683 2HZ LYS 98 2HZ LYS 98 2.525 -2.811 -13.603 684 3HZ LYS 98 3HZ LYS 98 1.475 -4.052 -14.069 685 H ALA 99 H ALA 99 4.604 -6.513 -9.850 686 HA ALA 99 HA ALA 99 6.358 -5.083 -9.329 687 1HB ALA 99 1HB ALA 99 7.540 -7.798 -8.947 688 2HB ALA 99 2HB ALA 99 6.220 -7.081 -8.025 689 3HB ALA 99 3HB ALA 99 7.827 -6.326 -7.979 Start of MODEL 10 1 H GLY 15 H GLY 15 2.697 -10.779 -1.796 2 1HA GLY 15 1HA GLY 15 3.909 -12.653 -3.795 3 2HA GLY 15 2HA GLY 15 3.314 -11.052 -4.210 4 H LEU 16 H LEU 16 4.690 -10.968 -1.099 5 HA LEU 16 HA LEU 16 7.259 -10.431 -2.068 6 1HB LEU 16 2HB LEU 16 7.086 -8.007 -1.178 7 2HB LEU 16 1HB LEU 16 6.676 -8.398 -2.822 8 HG LEU 16 HG LEU 16 4.350 -8.092 -2.394 9 1HD1 LEU 16 1HD1 LEU 16 4.225 -9.102 -0.208 10 2HD1 LEU 16 2HD1 LEU 16 3.507 -7.489 -0.193 11 3HD1 LEU 16 3HD1 LEU 16 5.117 -7.752 0.503 12 1HD2 LEU 16 1HD2 LEU 16 4.331 -5.785 -1.660 13 2HD2 LEU 16 2HD2 LEU 16 5.651 -6.115 -2.781 14 3HD2 LEU 16 3HD2 LEU 16 5.975 -5.963 -1.053 15 H ARG 17 H ARG 17 8.344 -8.983 -0.243 16 HA ARG 17 HA ARG 17 8.004 -10.610 2.111 17 1HB ARG 17 2HB ARG 17 10.269 -8.815 1.246 18 2HB ARG 17 1HB ARG 17 10.223 -9.705 2.763 19 1HG ARG 17 2HG ARG 17 10.057 -11.801 1.487 20 2HG ARG 17 1HG ARG 17 10.219 -10.871 -0.004 21 1HD ARG 17 2HD ARG 17 12.416 -10.099 0.717 22 2HD ARG 17 1HD ARG 17 12.241 -10.996 2.227 23 HE ARG 17 HE ARG 17 11.860 -12.873 0.334 24 1HH1 ARG 17 1HH1 ARG 17 14.500 -10.564 0.941 25 2HH1 ARG 17 2HH1 ARG 17 15.701 -11.552 0.286 26 1HH2 ARG 17 1HH2 ARG 17 13.500 -14.226 -0.560 27 2HH2 ARG 17 2HH2 ARG 17 15.145 -13.739 -0.545 28 H GLU 18 H GLU 18 7.615 -7.351 0.896 29 HA GLU 18 HA GLU 18 6.087 -6.872 3.312 30 1HB GLU 18 2HB GLU 18 7.204 -4.792 3.952 31 2HB GLU 18 1HB GLU 18 8.144 -6.251 4.370 32 1HG GLU 18 2HG GLU 18 9.508 -5.581 2.260 33 2HG GLU 18 1HG GLU 18 8.530 -4.129 2.281 34 H ILE 19 H ILE 19 4.366 -5.388 3.132 35 HA ILE 19 HA ILE 19 4.820 -3.254 1.238 36 HB ILE 19 HB ILE 19 2.439 -4.927 1.688 37 1HG1 ILE 19 2HG1 ILE 19 3.598 -4.734 -0.460 38 2HG1 ILE 19 1HG1 ILE 19 1.890 -4.339 -0.574 39 1HG2 ILE 19 1HG2 ILE 19 1.989 -1.950 1.505 40 2HG2 ILE 19 2HG2 ILE 19 1.578 -2.994 2.866 41 3HG2 ILE 19 3HG2 ILE 19 0.741 -3.186 1.325 42 1HD1 ILE 19 1HD1 ILE 19 4.169 -2.375 -0.503 43 2HD1 ILE 19 2HD1 ILE 19 2.458 -1.960 -0.605 44 3HD1 ILE 19 3HD1 ILE 19 3.230 -2.843 -1.922 45 H ARG 20 H ARG 20 4.833 -1.416 2.010 46 HA ARG 20 HA ARG 20 3.930 -0.974 4.723 47 1HB ARG 20 2HB ARG 20 6.191 -1.687 5.005 48 2HB ARG 20 1HB ARG 20 6.747 -0.637 3.721 49 1HG ARG 20 2HG ARG 20 6.597 1.250 5.050 50 2HG ARG 20 1HG ARG 20 5.521 0.460 6.206 51 1HD ARG 20 2HD ARG 20 7.917 0.784 6.958 52 2HD ARG 20 1HD ARG 20 7.264 -0.842 7.102 53 HE ARG 20 HE ARG 20 8.512 -1.349 5.024 54 1HH1 ARG 20 1HH1 ARG 20 9.668 1.439 6.939 55 2HH1 ARG 20 2HH1 ARG 20 11.287 1.160 6.535 56 1HH2 ARG 20 1HH2 ARG 20 10.680 -1.731 4.617 57 2HH2 ARG 20 2HH2 ARG 20 11.921 -0.707 5.240 58 H ILE 21 H ILE 21 2.514 0.543 4.430 59 HA ILE 21 HA ILE 21 2.528 2.395 2.237 60 HB ILE 21 HB ILE 21 1.120 3.270 4.637 61 1HG1 ILE 21 2HG1 ILE 21 0.076 0.749 3.312 62 2HG1 ILE 21 1HG1 ILE 21 0.883 0.769 4.880 63 1HG2 ILE 21 1HG2 ILE 21 0.730 4.307 2.489 64 2HG2 ILE 21 2HG2 ILE 21 -0.763 3.558 3.058 65 3HG2 ILE 21 3HG2 ILE 21 0.178 2.776 1.810 66 1HD1 ILE 21 1HD1 ILE 21 -1.671 2.174 4.175 67 2HD1 ILE 21 2HD1 ILE 21 -0.822 2.303 5.703 68 3HD1 ILE 21 3HD1 ILE 21 -1.504 0.741 5.207 69 H HIS 22 H HIS 22 3.133 4.471 2.348 70 HA HIS 22 HA HIS 22 4.270 5.534 4.848 71 1HB HIS 22 2HB HIS 22 4.642 6.397 1.958 72 2HB HIS 22 1HB HIS 22 5.310 7.262 3.316 73 HD1 HIS 22 1HD HIS 22 7.418 6.739 1.534 74 HD2 HIS 22 2HD HIS 22 6.096 3.643 3.961 75 HE1 HIS 22 1HE HIS 22 9.253 5.054 1.527 76 HE2 HIS 22 2HE HIS 22 8.613 3.555 3.393 77 H LEU 23 H LEU 23 2.701 6.828 5.753 78 HA LEU 23 HA LEU 23 0.618 7.776 3.970 79 1HB LEU 23 2HB LEU 23 0.061 6.411 5.984 80 2HB LEU 23 1HB LEU 23 0.649 7.716 6.987 81 HG LEU 23 HG LEU 23 -1.146 9.177 6.141 82 1HD1 LEU 23 1HD1 LEU 23 -1.413 8.205 3.925 83 2HD1 LEU 23 2HD1 LEU 23 -2.954 8.247 4.783 84 3HD1 LEU 23 3HD1 LEU 23 -2.067 6.729 4.637 85 1HD2 LEU 23 1HD2 LEU 23 -1.511 7.866 8.158 86 2HD2 LEU 23 2HD2 LEU 23 -2.097 6.514 7.191 87 3HD2 LEU 23 3HD2 LEU 23 -3.012 8.021 7.244 88 H CYS 24 H CYS 24 0.641 9.564 6.731 89 HA CYS 24 HA CYS 24 0.783 11.725 7.200 90 1HB CYS 24 2HB CYS 24 2.906 11.826 5.056 91 2HB CYS 24 1HB CYS 24 2.390 13.256 5.944 92 H GLN 25 H GLN 25 -1.125 12.375 6.903 93 HA GLN 25 HA GLN 25 -2.306 12.782 4.316 94 1HB GLN 25 2HB GLN 25 -4.268 13.640 5.709 95 2HB GLN 25 1HB GLN 25 -3.791 11.972 5.946 96 1HG GLN 25 2HG GLN 25 -4.348 12.991 8.070 97 2HG GLN 25 1HG GLN 25 -2.634 12.606 8.029 98 1HE2 GLN 25 1HE2 GLN 25 -4.990 15.100 8.148 99 2HE2 GLN 25 2HE2 GLN 25 -3.910 16.421 8.449 100 H ARG 26 H ARG 26 -0.027 14.425 4.957 101 HA ARG 26 HA ARG 26 -0.931 17.073 5.610 102 1HB ARG 26 2HB ARG 26 1.396 17.782 5.284 103 2HB ARG 26 1HB ARG 26 1.245 16.420 6.379 104 1HG ARG 26 2HG ARG 26 2.095 14.908 4.743 105 2HG ARG 26 1HG ARG 26 1.989 16.134 3.476 106 1HD ARG 26 2HD ARG 26 3.769 16.300 5.910 107 2HD ARG 26 1HD ARG 26 4.300 15.801 4.302 108 HE ARG 26 HE ARG 26 3.219 18.165 3.765 109 1HH1 ARG 26 1HH1 ARG 26 5.516 17.300 6.358 110 2HH1 ARG 26 2HH1 ARG 26 6.205 18.869 6.371 111 1HH2 ARG 26 1HH2 ARG 26 4.221 20.236 3.845 112 2HH2 ARG 26 2HH2 ARG 26 5.496 20.523 4.976 113 H SER 27 H SER 27 -0.296 15.367 2.614 114 HA SER 27 HA SER 27 -0.621 17.916 1.217 115 1HB SER 27 2HB SER 27 0.839 15.402 0.371 116 2HB SER 27 1HB SER 27 0.774 16.916 -0.544 117 HG SER 27 HG SER 27 2.568 16.279 1.186 118 HA PRO 28 HA PRO 28 -3.999 17.071 -1.723 119 1HB PRO 28 2HB PRO 28 -2.184 15.109 -3.089 120 2HB PRO 28 1HB PRO 28 -3.411 16.175 -3.797 121 1HG PRO 28 2HG PRO 28 -0.757 16.837 -3.607 122 2HG PRO 28 1HG PRO 28 -2.070 18.022 -3.663 123 1HD PRO 28 2HD PRO 28 -0.268 17.501 -1.490 124 2HD PRO 28 1HD PRO 28 -1.633 18.635 -1.517 125 H GLY 29 H GLY 29 -5.632 16.145 -0.919 126 1HA GLY 29 2HA GLY 29 -5.794 13.951 0.702 127 2HA GLY 29 1HA GLY 29 -7.141 14.639 -0.181 128 H SER 30 H SER 30 -6.005 11.908 0.529 129 HA SER 30 HA SER 30 -6.361 10.757 -2.128 130 1HB SER 30 2HB SER 30 -4.653 9.584 0.055 131 2HB SER 30 1HB SER 30 -4.889 9.109 -1.650 132 HG SER 30 HG SER 30 -4.041 11.692 -1.068 133 H GLN 31 H GLN 31 -8.119 9.814 -2.132 134 HA GLN 31 HA GLN 31 -9.454 9.253 0.413 135 1HB GLN 31 2HB GLN 31 -11.611 9.255 -0.867 136 2HB GLN 31 1HB GLN 31 -10.756 10.789 -0.848 137 1HG GLN 31 2HG GLN 31 -9.989 10.469 -3.084 138 2HG GLN 31 1HG GLN 31 -10.602 8.818 -3.109 139 1HE2 GLN 31 1HE2 GLN 31 -11.803 9.279 -4.935 140 2HE2 GLN 31 2HE2 GLN 31 -13.273 10.194 -4.843 141 H GLY 32 H GLY 32 -8.834 7.709 -2.672 142 1HA GLY 32 2HA GLY 32 -10.113 5.309 -1.889 143 2HA GLY 32 1HA GLY 32 -8.937 5.501 -3.194 144 H VAL 33 H VAL 33 -7.024 6.745 -1.574 145 HA VAL 33 HA VAL 33 -5.733 4.429 -0.619 146 HB VAL 33 HB VAL 33 -4.965 7.337 -0.256 147 1HG1 VAL 33 1HG1 VAL 33 -3.323 4.830 0.165 148 2HG1 VAL 33 2HG1 VAL 33 -3.927 5.877 1.450 149 3HG1 VAL 33 3HG1 VAL 33 -2.740 6.491 0.297 150 1HG2 VAL 33 1HG2 VAL 33 -4.035 5.225 -2.190 151 2HG2 VAL 33 2HG2 VAL 33 -3.411 6.873 -2.076 152 3HG2 VAL 33 3HG2 VAL 33 -5.081 6.592 -2.567 153 H ARG 34 H ARG 34 -6.888 7.321 1.226 154 HA ARG 34 HA ARG 34 -6.643 6.256 3.732 155 1HB ARG 34 2HB ARG 34 -8.488 7.537 4.425 156 2HB ARG 34 1HB ARG 34 -7.335 8.616 3.565 157 1HG ARG 34 2HG ARG 34 -9.292 7.944 1.737 158 2HG ARG 34 1HG ARG 34 -10.155 7.824 3.248 159 1HD ARG 34 2HD ARG 34 -8.678 10.271 2.289 160 2HD ARG 34 1HD ARG 34 -10.421 10.062 2.372 161 HE ARG 34 HE ARG 34 -9.655 9.672 4.923 162 1HH1 ARG 34 1HH1 ARG 34 -9.061 12.267 2.568 163 2HH1 ARG 34 2HH1 ARG 34 -8.842 13.477 3.756 164 1HH2 ARG 34 1HH2 ARG 34 -9.283 11.391 6.561 165 2HH2 ARG 34 2HH2 ARG 34 -8.897 12.968 6.002 166 H ASP 35 H ASP 35 -9.277 5.820 1.543 167 HA ASP 35 HA ASP 35 -10.968 4.275 3.113 168 1HB ASP 35 2HB ASP 35 -10.370 4.287 0.193 169 2HB ASP 35 1HB ASP 35 -11.337 2.985 0.707 170 H PHE 36 H PHE 36 -8.418 3.198 1.065 171 HA PHE 36 HA PHE 36 -8.410 0.593 1.883 172 1HB PHE 36 2HB PHE 36 -7.005 0.978 0.030 173 2HB PHE 36 1HB PHE 36 -6.479 2.499 0.677 174 HD1 PHE 36 1HD PHE 36 -5.578 -0.857 -0.069 175 HD2 PHE 36 2HD PHE 36 -4.698 2.354 2.597 176 HE1 PHE 36 1HE PHE 36 -3.326 -1.739 0.247 177 HE2 PHE 36 2HE PHE 36 -2.443 1.440 2.923 178 HZ PHE 36 HZ PHE 36 -1.751 -0.597 1.748 179 H ILE 37 H ILE 37 -6.586 3.192 3.044 180 HA ILE 37 HA ILE 37 -5.076 1.998 5.072 181 HB ILE 37 HB ILE 37 -6.304 4.651 5.540 182 1HG1 ILE 37 2HG1 ILE 37 -5.393 5.092 3.285 183 2HG1 ILE 37 1HG1 ILE 37 -4.446 5.865 4.499 184 1HG2 ILE 37 1HG2 ILE 37 -4.140 5.225 6.654 185 2HG2 ILE 37 2HG2 ILE 37 -3.633 3.561 6.355 186 3HG2 ILE 37 3HG2 ILE 37 -5.033 3.887 7.380 187 1HD1 ILE 37 1HD1 ILE 37 -2.680 4.306 4.330 188 2HD1 ILE 37 2HD1 ILE 37 -3.160 4.918 2.735 189 3HD1 ILE 37 3HD1 ILE 37 -3.644 3.293 3.229 190 H GLU 38 H GLU 38 -8.510 2.899 5.193 191 HA GLU 38 HA GLU 38 -8.417 2.755 8.147 192 1HB GLU 38 2HB GLU 38 -10.501 4.039 6.378 193 2HB GLU 38 1HB GLU 38 -10.485 4.042 8.132 194 1HG GLU 38 2HG GLU 38 -8.445 5.330 6.353 195 2HG GLU 38 1HG GLU 38 -9.779 6.154 7.127 196 H LYS 39 H LYS 39 -10.482 2.163 5.421 197 HA LYS 39 HA LYS 39 -12.264 0.481 6.916 198 1HB LYS 39 2HB LYS 39 -12.082 1.169 4.045 199 2HB LYS 39 1HB LYS 39 -13.468 0.396 4.807 200 1HG LYS 39 2HG LYS 39 -13.632 2.539 6.228 201 2HG LYS 39 1HG LYS 39 -12.512 3.244 5.055 202 1HD LYS 39 2HD LYS 39 -15.254 2.103 4.510 203 2HD LYS 39 1HD LYS 39 -14.754 3.791 4.388 204 1HE LYS 39 2HE LYS 39 -13.275 3.245 2.547 205 2HE LYS 39 1HE LYS 39 -13.667 1.536 2.706 206 1HZ LYS 39 1HZ LYS 39 -15.528 3.710 1.892 207 2HZ LYS 39 2HZ LYS 39 -15.976 2.095 2.173 208 3HZ LYS 39 3HZ LYS 39 -14.930 2.444 0.928 209 H ARG 40 H ARG 40 -9.906 0.307 4.266 210 HA ARG 40 HA ARG 40 -10.882 -2.332 3.673 211 1HB ARG 40 2HB ARG 40 -10.534 -0.522 1.975 212 2HB ARG 40 1HB ARG 40 -8.815 -0.649 2.287 213 1HG ARG 40 2HG ARG 40 -9.391 -1.844 0.290 214 2HG ARG 40 1HG ARG 40 -8.872 -2.919 1.614 215 1HD ARG 40 2HD ARG 40 -10.953 -3.828 1.896 216 2HD ARG 40 1HD ARG 40 -11.780 -2.379 1.322 217 HE ARG 40 HE ARG 40 -11.536 -3.084 -0.840 218 1HH1 ARG 40 1HH1 ARG 40 -9.977 -5.448 1.274 219 2HH1 ARG 40 2HH1 ARG 40 -10.086 -6.719 0.139 220 1HH2 ARG 40 1HH2 ARG 40 -11.637 -4.780 -2.364 221 2HH2 ARG 40 2HH2 ARG 40 -10.943 -6.310 -2.031 222 H TYR 41 H TYR 41 -8.409 -0.667 5.247 223 HA TYR 41 HA TYR 41 -6.155 -2.012 5.476 224 1HB TYR 41 2HB TYR 41 -7.068 -0.202 6.993 225 2HB TYR 41 1HB TYR 41 -7.914 -1.455 7.811 226 HD1 TYR 41 1HD TYR 41 -4.488 -0.286 7.111 227 HD2 TYR 41 2HD TYR 41 -7.010 -2.744 9.470 228 HE1 TYR 41 1HE TYR 41 -2.645 -0.660 8.675 229 HE2 TYR 41 2HE TYR 41 -5.243 -3.152 11.025 230 HH TYR 41 HH TYR 41 -2.421 -1.240 11.043 231 H VAL 42 H VAL 42 -8.732 -3.134 7.534 232 HA VAL 42 HA VAL 42 -7.400 -5.463 8.259 233 HB VAL 42 HB VAL 42 -9.016 -4.637 9.732 234 1HG1 VAL 42 1HG1 VAL 42 -11.346 -4.218 9.169 235 2HG1 VAL 42 2HG1 VAL 42 -11.008 -4.729 7.500 236 3HG1 VAL 42 3HG1 VAL 42 -10.187 -3.309 8.181 237 1HG2 VAL 42 1HG2 VAL 42 -9.033 -7.046 9.685 238 2HG2 VAL 42 2HG2 VAL 42 -10.260 -7.048 8.413 239 3HG2 VAL 42 3HG2 VAL 42 -10.655 -6.444 10.029 240 H GLU 43 H GLU 43 -9.646 -4.817 5.659 241 HA GLU 43 HA GLU 43 -9.762 -7.534 4.723 242 1HB GLU 43 2HB GLU 43 -10.583 -4.894 3.559 243 2HB GLU 43 1HB GLU 43 -10.473 -6.314 2.541 244 1HG GLU 43 2HG GLU 43 -12.742 -5.988 3.211 245 2HG GLU 43 1HG GLU 43 -12.115 -7.440 3.975 246 H LEU 44 H LEU 44 -7.382 -4.880 4.170 247 HA LEU 44 HA LEU 44 -6.412 -6.513 1.997 248 1HB LEU 44 2HB LEU 44 -4.679 -4.849 1.622 249 2HB LEU 44 1HB LEU 44 -6.247 -4.092 1.744 250 HG LEU 44 HG LEU 44 -5.084 -3.934 4.299 251 1HD1 LEU 44 1HD1 LEU 44 -2.944 -4.382 3.201 252 2HD1 LEU 44 2HD1 LEU 44 -3.041 -2.719 3.784 253 3HD1 LEU 44 3HD1 LEU 44 -3.260 -3.073 2.069 254 1HD2 LEU 44 1HD2 LEU 44 -6.664 -2.404 3.312 255 2HD2 LEU 44 2HD2 LEU 44 -5.461 -1.925 2.114 256 3HD2 LEU 44 3HD2 LEU 44 -5.200 -1.565 3.820 257 H LYS 45 H LYS 45 -5.898 -6.216 5.290 258 HA LYS 45 HA LYS 45 -3.472 -7.715 5.334 259 1HB LYS 45 2HB LYS 45 -4.244 -6.302 7.236 260 2HB LYS 45 1HB LYS 45 -5.597 -7.392 7.475 261 1HG LYS 45 2HG LYS 45 -4.052 -9.196 8.046 262 2HG LYS 45 1HG LYS 45 -2.686 -8.114 7.783 263 1HD LYS 45 2HD LYS 45 -3.528 -6.640 9.574 264 2HD LYS 45 1HD LYS 45 -4.863 -7.761 9.846 265 1HE LYS 45 2HE LYS 45 -3.264 -9.520 10.420 266 2HE LYS 45 1HE LYS 45 -1.933 -8.399 10.140 267 1HZ LYS 45 1HZ LYS 45 -4.027 -8.129 12.237 268 2HZ LYS 45 2HZ LYS 45 -2.773 -7.029 11.991 269 3HZ LYS 45 3HZ LYS 45 -2.436 -8.610 12.481 270 H LYS 46 H LYS 46 -6.905 -8.473 5.480 271 HA LYS 46 HA LYS 46 -6.429 -11.286 5.898 272 1HB LYS 46 2HB LYS 46 -8.730 -11.522 6.170 273 2HB LYS 46 1HB LYS 46 -8.414 -9.907 6.774 274 1HG LYS 46 2HG LYS 46 -9.055 -9.414 4.123 275 2HG LYS 46 1HG LYS 46 -9.913 -10.808 4.410 276 1HD LYS 46 2HD LYS 46 -10.273 -8.500 6.288 277 2HD LYS 46 1HD LYS 46 -11.382 -8.958 4.999 278 1HE LYS 46 2HE LYS 46 -11.698 -11.152 6.091 279 2HE LYS 46 1HE LYS 46 -10.600 -10.635 7.373 280 1HZ LYS 46 1HZ LYS 46 -12.181 -8.941 8.039 281 2HZ LYS 46 2HZ LYS 46 -12.968 -10.412 7.956 282 3HZ LYS 46 3HZ LYS 46 -13.175 -9.292 6.728 283 H ALA 47 H ALA 47 -7.262 -9.212 3.118 284 HA ALA 47 HA ALA 47 -7.959 -11.487 1.753 285 1HB ALA 47 1HB ALA 47 -9.261 -9.546 1.315 286 2HB ALA 47 2HB ALA 47 -8.508 -10.045 -0.201 287 3HB ALA 47 3HB ALA 47 -7.856 -8.674 0.700 288 H ASN 48 H ASN 48 -5.082 -9.828 2.306 289 HA ASN 48 HA ASN 48 -3.712 -10.882 -0.021 290 1HB ASN 48 2HB ASN 48 -3.021 -8.259 1.407 291 2HB ASN 48 1HB ASN 48 -2.243 -8.923 0.015 292 1HD2 ASN 48 1HD2 ASN 48 -2.537 -6.696 -1.036 293 2HD2 ASN 48 2HD2 ASN 48 -4.072 -6.377 -1.700 294 HA PRO 49 HA PRO 49 -2.440 -12.522 4.181 295 1HB PRO 49 2HB PRO 49 -1.811 -15.009 3.302 296 2HB PRO 49 1HB PRO 49 -3.469 -14.522 3.686 297 1HG PRO 49 2HG PRO 49 -2.079 -14.560 1.040 298 2HG PRO 49 1HG PRO 49 -3.657 -15.237 1.429 299 1HD PRO 49 2HD PRO 49 -3.451 -12.860 0.234 300 2HD PRO 49 1HD PRO 49 -4.656 -13.029 1.520 301 H ASP 50 H ASP 50 -0.875 -13.394 1.335 302 HA ASP 50 HA ASP 50 1.799 -13.268 2.555 303 1HB ASP 50 2HB ASP 50 1.285 -14.997 0.814 304 2HB ASP 50 1HB ASP 50 1.129 -13.716 -0.378 305 H LEU 51 H LEU 51 0.173 -10.891 2.448 306 HA LEU 51 HA LEU 51 2.029 -9.207 1.050 307 1HB LEU 51 2HB LEU 51 -0.105 -9.343 -0.098 308 2HB LEU 51 1HB LEU 51 -0.984 -8.913 1.338 309 HG LEU 51 HG LEU 51 -0.722 -7.172 -0.525 310 1HD1 LEU 51 1HD1 LEU 51 0.163 -6.377 2.230 311 2HD1 LEU 51 2HD1 LEU 51 -1.506 -6.539 1.683 312 3HD1 LEU 51 3HD1 LEU 51 -0.464 -5.298 0.986 313 1HD2 LEU 51 1HD2 LEU 51 1.987 -7.040 0.679 314 2HD2 LEU 51 2HD2 LEU 51 1.294 -5.886 -0.462 315 3HD2 LEU 51 3HD2 LEU 51 1.576 -7.558 -0.952 316 HA PRO 52 HA PRO 52 2.506 -8.242 5.656 317 1HB PRO 52 2HB PRO 52 4.476 -6.624 4.147 318 2HB PRO 52 1HB PRO 52 4.677 -7.429 5.697 319 1HG PRO 52 2HG PRO 52 5.684 -8.516 3.543 320 2HG PRO 52 1HG PRO 52 4.793 -9.558 4.659 321 1HD PRO 52 2HD PRO 52 3.976 -8.436 2.023 322 2HD PRO 52 1HD PRO 52 3.602 -10.020 2.735 323 H ILE 53 H ILE 53 1.727 -6.534 6.713 324 HA ILE 53 HA ILE 53 0.829 -4.188 5.143 325 HB ILE 53 HB ILE 53 -0.482 -5.169 7.690 326 1HG1 ILE 53 2HG1 ILE 53 -0.674 -6.974 5.981 327 2HG1 ILE 53 1HG1 ILE 53 -2.222 -6.291 6.440 328 1HG2 ILE 53 1HG2 ILE 53 -0.945 -2.876 7.145 329 2HG2 ILE 53 2HG2 ILE 53 -2.403 -3.844 6.934 330 3HG2 ILE 53 3HG2 ILE 53 -1.475 -3.332 5.525 331 1HD1 ILE 53 1HD1 ILE 53 -2.126 -6.718 4.054 332 2HD1 ILE 53 2HD1 ILE 53 -0.698 -5.707 3.909 333 3HD1 ILE 53 3HD1 ILE 53 -2.243 -4.998 4.359 334 H LEU 54 H LEU 54 2.613 -2.818 5.757 335 HA LEU 54 HA LEU 54 2.690 -2.145 8.632 336 1HB LEU 54 2HB LEU 54 4.970 -1.977 6.638 337 2HB LEU 54 1HB LEU 54 5.030 -1.293 8.242 338 HG LEU 54 HG LEU 54 6.291 -3.247 8.326 339 1HD1 LEU 54 1HD1 LEU 54 4.931 -3.001 10.252 340 2HD1 LEU 54 2HD1 LEU 54 5.141 -4.713 9.881 341 3HD1 LEU 54 3HD1 LEU 54 3.620 -3.906 9.495 342 1HD2 LEU 54 1HD2 LEU 54 4.032 -4.746 6.993 343 2HD2 LEU 54 2HD2 LEU 54 5.515 -5.473 7.612 344 3HD2 LEU 54 3HD2 LEU 54 5.588 -4.332 6.269 345 H ILE 55 H ILE 55 3.074 0.189 9.144 346 HA ILE 55 HA ILE 55 2.291 1.947 6.938 347 HB ILE 55 HB ILE 55 1.193 2.109 9.786 348 1HG1 ILE 55 2HG1 ILE 55 -1.097 1.996 8.499 349 2HG1 ILE 55 1HG1 ILE 55 -0.131 1.378 7.181 350 1HG2 ILE 55 1HG2 ILE 55 1.608 4.327 8.938 351 2HG2 ILE 55 2HG2 ILE 55 -0.129 4.032 9.037 352 3HG2 ILE 55 3HG2 ILE 55 0.689 3.973 7.475 353 1HD1 ILE 55 1HD1 ILE 55 0.564 -0.520 8.515 354 2HD1 ILE 55 2HD1 ILE 55 -1.195 -0.414 8.430 355 3HD1 ILE 55 3HD1 ILE 55 -0.348 0.101 9.891 356 H ARG 56 H ARG 56 3.513 3.637 6.728 357 HA ARG 56 HA ARG 56 5.374 4.495 8.849 358 1HB ARG 56 2HB ARG 56 5.686 4.548 5.880 359 2HB ARG 56 1HB ARG 56 6.748 5.377 6.989 360 1HG ARG 56 2HG ARG 56 6.385 2.406 6.771 361 2HG ARG 56 1HG ARG 56 7.793 3.345 6.290 362 1HD ARG 56 2HD ARG 56 8.569 2.693 8.311 363 2HD ARG 56 1HD ARG 56 7.625 4.065 8.880 364 HE ARG 56 HE ARG 56 5.805 2.388 9.315 365 1HH1 ARG 56 1HH1 ARG 56 9.253 1.544 9.498 366 2HH1 ARG 56 2HH1 ARG 56 9.016 0.138 10.407 367 1HH2 ARG 56 1HH2 ARG 56 5.462 0.351 10.576 368 2HH2 ARG 56 2HH2 ARG 56 6.843 -0.587 10.937 369 H GLU 57 H GLU 57 6.191 6.749 8.273 370 HA GLU 57 HA GLU 57 3.868 8.432 7.612 371 1HB GLU 57 2HB GLU 57 6.067 9.108 9.563 372 2HB GLU 57 1HB GLU 57 4.675 10.093 9.169 373 1HG GLU 57 2HG GLU 57 3.243 8.300 10.148 374 2HG GLU 57 1HG GLU 57 4.726 7.506 10.683 375 H CYS 58 H CYS 58 4.222 9.500 5.808 376 HA CYS 58 HA CYS 58 5.039 11.085 4.420 377 1HB CYS 58 2HB CYS 58 7.161 11.401 6.541 378 2HB CYS 58 1HB CYS 58 6.998 12.456 5.154 379 H SER 59 H SER 59 6.696 11.662 2.867 380 HA SER 59 HA SER 59 9.182 10.989 2.481 381 1HB SER 59 2HB SER 59 9.302 9.032 0.923 382 2HB SER 59 1HB SER 59 8.782 8.560 2.535 383 HG SER 59 HG SER 59 7.630 8.213 0.200 384 H ASP 60 H ASP 60 6.171 10.708 0.563 385 HA ASP 60 HA ASP 60 7.115 12.857 -1.154 386 1HB ASP 60 2HB ASP 60 5.629 10.333 -2.029 387 2HB ASP 60 1HB ASP 60 6.023 11.687 -3.070 388 H VAL 61 H VAL 61 4.587 12.918 -2.536 389 HA VAL 61 HA VAL 61 3.174 14.723 -1.148 390 HB VAL 61 HB VAL 61 1.974 12.653 -3.006 391 1HG1 VAL 61 1HG1 VAL 61 0.112 14.212 -3.334 392 2HG1 VAL 61 2HG1 VAL 61 0.775 15.271 -2.090 393 3HG1 VAL 61 3HG1 VAL 61 0.191 13.661 -1.660 394 1HG2 VAL 61 1HG2 VAL 61 2.126 14.447 -4.649 395 2HG2 VAL 61 2HG2 VAL 61 3.710 14.021 -3.993 396 3HG2 VAL 61 3HG2 VAL 61 2.888 15.483 -3.443 397 H GLN 62 H GLN 62 2.160 11.360 -1.024 398 HA GLN 62 HA GLN 62 1.405 11.534 1.635 399 1HB GLN 62 2HB GLN 62 -0.448 12.921 1.233 400 2HB GLN 62 1HB GLN 62 -0.985 11.974 -0.156 401 1HG GLN 62 2HG GLN 62 -1.672 10.165 1.236 402 2HG GLN 62 1HG GLN 62 -0.904 10.873 2.640 403 1HE2 GLN 62 1HE2 GLN 62 -2.824 12.842 0.460 404 2HE2 GLN 62 2HE2 GLN 62 -4.120 13.005 1.581 405 HA PRO 63 HA PRO 63 -0.319 7.353 0.489 406 1HB PRO 63 2HB PRO 63 -1.171 6.882 -2.061 407 2HB PRO 63 1HB PRO 63 -2.196 7.525 -0.793 408 1HG PRO 63 2HG PRO 63 -1.314 8.820 -3.170 409 2HG PRO 63 1HG PRO 63 -2.272 9.518 -1.859 410 1HD PRO 63 2HD PRO 63 0.618 9.751 -2.421 411 2HD PRO 63 1HD PRO 63 -0.458 10.846 -1.525 412 H LYS 64 H LYS 64 2.152 6.959 0.488 413 HA LYS 64 HA LYS 64 3.021 5.917 -2.181 414 1HB LYS 64 2HB LYS 64 4.718 6.485 0.306 415 2HB LYS 64 1HB LYS 64 5.313 5.852 -1.207 416 1HG LYS 64 2HG LYS 64 5.976 8.115 -0.988 417 2HG LYS 64 1HG LYS 64 4.767 8.032 -2.263 418 1HD LYS 64 2HD LYS 64 4.384 9.985 -0.906 419 2HD LYS 64 1HD LYS 64 3.119 8.757 -0.714 420 1HE LYS 64 2HE LYS 64 4.046 8.094 1.455 421 2HE LYS 64 1HE LYS 64 5.465 9.098 1.200 422 1HZ LYS 64 1HZ LYS 64 3.943 11.096 1.420 423 2HZ LYS 64 2HZ LYS 64 3.953 10.124 2.790 424 3HZ LYS 64 3HZ LYS 64 2.690 10.003 1.755 425 H LEU 65 H LEU 65 3.444 3.853 -2.383 426 HA LEU 65 HA LEU 65 3.110 2.241 0.057 427 1HB LEU 65 2HB LEU 65 2.254 1.925 -2.681 428 2HB LEU 65 1HB LEU 65 2.842 0.460 -1.942 429 HG LEU 65 HG LEU 65 0.373 0.592 -1.687 430 1HD1 LEU 65 1HD1 LEU 65 1.878 0.856 0.903 431 2HD1 LEU 65 2HD1 LEU 65 1.655 -0.619 -0.038 432 3HD1 LEU 65 3HD1 LEU 65 0.266 0.168 0.713 433 1HD2 LEU 65 1HD2 LEU 65 -0.627 2.231 -0.166 434 2HD2 LEU 65 2HD2 LEU 65 0.109 3.018 -1.562 435 3HD2 LEU 65 3HD2 LEU 65 0.937 3.036 -0.004 436 H TRP 66 H TRP 66 4.925 1.559 0.808 437 HA TRP 66 HA TRP 66 7.069 1.252 -0.989 438 1HB TRP 66 2HB TRP 66 7.823 2.133 1.076 439 2HB TRP 66 1HB TRP 66 6.812 1.043 2.021 440 HD1 TRP 66 HD TRP 66 7.887 -1.227 2.791 441 HE1 TRP 66 1HE TRP 66 10.134 -2.353 2.433 442 HE3 TRP 66 3HE TRP 66 9.712 1.976 -0.618 443 HZ2 TRP 66 2HZ TRP 66 12.488 -1.849 0.798 444 HZ3 TRP 66 3HZ TRP 66 11.910 1.623 -1.543 445 HH2 TRP 66 HH TRP 66 13.227 -0.133 -0.947 446 H ALA 67 H ALA 67 7.727 -0.704 -1.700 447 HA ALA 67 HA ALA 67 6.629 -3.132 -0.529 448 1HB ALA 67 1HB ALA 67 6.324 -4.040 -2.781 449 2HB ALA 67 2HB ALA 67 6.799 -2.486 -3.469 450 3HB ALA 67 3HB ALA 67 5.318 -2.615 -2.521 451 H ARG 68 H ARG 68 8.155 -4.684 -0.290 452 HA ARG 68 HA ARG 68 10.547 -4.522 -1.881 453 1HB ARG 68 2HB ARG 68 10.897 -3.736 0.597 454 2HB ARG 68 1HB ARG 68 10.600 -5.419 1.013 455 1HG ARG 68 2HG ARG 68 12.887 -5.406 0.868 456 2HG ARG 68 1HG ARG 68 12.409 -5.886 -0.769 457 1HD ARG 68 2HD ARG 68 12.596 -3.352 -1.384 458 2HD ARG 68 1HD ARG 68 13.340 -3.177 0.164 459 HE ARG 68 HE ARG 68 14.506 -5.192 -1.534 460 1HH1 ARG 68 1HH1 ARG 68 14.758 -1.957 -0.147 461 2HH1 ARG 68 2HH1 ARG 68 16.344 -1.679 -0.728 462 1HH2 ARG 68 1HH2 ARG 68 16.712 -4.843 -2.253 463 2HH2 ARG 68 2HH2 ARG 68 17.502 -3.385 -1.894 464 H TYR 69 H TYR 69 9.970 -5.912 -2.985 465 HA TYR 69 HA TYR 69 8.253 -8.174 -2.414 466 1HB TYR 69 2HB TYR 69 9.919 -7.961 -4.934 467 2HB TYR 69 1HB TYR 69 8.396 -8.797 -4.715 468 HD1 TYR 69 1HD TYR 69 10.014 -5.714 -5.562 469 HD2 TYR 69 2HD TYR 69 6.289 -7.420 -4.512 470 HE1 TYR 69 1HE TYR 69 8.879 -3.756 -6.476 471 HE2 TYR 69 2HE TYR 69 5.151 -5.482 -5.405 472 HH TYR 69 HH TYR 69 6.748 -3.188 -7.354 473 H ALA 70 H ALA 70 8.883 -10.521 -2.923 474 HA ALA 70 HA ALA 70 11.615 -11.147 -2.027 475 1HB ALA 70 1HB ALA 70 9.346 -13.017 -2.771 476 2HB ALA 70 2HB ALA 70 9.652 -12.446 -1.130 477 3HB ALA 70 3HB ALA 70 10.844 -13.455 -1.950 478 H PHE 71 H PHE 71 10.040 -10.582 -4.852 479 HA PHE 71 HA PHE 71 11.843 -11.929 -6.571 480 1HB PHE 71 2HB PHE 71 10.477 -9.242 -6.980 481 2HB PHE 71 1HB PHE 71 11.164 -10.255 -8.243 482 HD1 PHE 71 1HD PHE 71 10.146 -12.661 -8.419 483 HD2 PHE 71 2HD PHE 71 8.221 -9.366 -6.545 484 HE1 PHE 71 1HE PHE 71 7.970 -13.763 -8.722 485 HE2 PHE 71 2HE PHE 71 6.045 -10.465 -6.838 486 HZ PHE 71 HZ PHE 71 5.917 -12.665 -7.929 487 H GLY 72 H GLY 72 12.035 -9.479 -4.308 488 1HA GLY 72 2HA GLY 72 13.718 -8.496 -3.364 489 2HA GLY 72 1HA GLY 72 14.800 -9.289 -4.482 490 H GLN 73 H GLN 73 12.072 -7.348 -5.243 491 HA GLN 73 HA GLN 73 13.721 -5.184 -6.341 492 1HB GLN 73 2HB GLN 73 10.871 -5.980 -7.013 493 2HB GLN 73 1HB GLN 73 11.789 -4.693 -7.773 494 1HG GLN 73 2HG GLN 73 13.343 -6.359 -8.683 495 2HG GLN 73 1HG GLN 73 12.383 -7.637 -7.936 496 1HE2 GLN 73 1HE2 GLN 73 10.365 -8.166 -8.827 497 2HE2 GLN 73 2HE2 GLN 73 9.852 -7.551 -10.347 498 H GLU 74 H GLU 74 12.385 -3.023 -6.163 499 HA GLU 74 HA GLU 74 10.784 -3.013 -3.749 500 1HB GLU 74 2HB GLU 74 12.105 -1.484 -2.540 501 2HB GLU 74 1HB GLU 74 13.207 -2.731 -3.092 502 1HG GLU 74 2HG GLU 74 12.838 -0.009 -4.267 503 2HG GLU 74 1HG GLU 74 14.188 -0.495 -3.239 504 H THR 75 H THR 75 9.834 -0.903 -3.357 505 HA THR 75 HA THR 75 10.021 1.208 -5.180 506 HB THR 75 HB THR 75 8.662 -0.442 -6.599 507 HG1 THR 75 1HG THR 75 8.423 2.071 -6.400 508 1HG2 THR 75 1HG2 THR 75 6.545 0.092 -4.503 509 2HG2 THR 75 2HG2 THR 75 7.336 -1.454 -4.788 510 3HG2 THR 75 3HG2 THR 75 6.288 -0.761 -6.026 511 H ASN 76 H ASN 76 8.761 2.931 -4.434 512 HA ASN 76 HA ASN 76 7.090 2.560 -2.112 513 1HB ASN 76 2HB ASN 76 8.335 4.548 -0.956 514 2HB ASN 76 1HB ASN 76 9.086 2.964 -0.874 515 1HD2 ASN 76 1HD2 ASN 76 11.229 2.624 -1.905 516 2HD2 ASN 76 2HD2 ASN 76 11.995 3.964 -2.627 517 H VAL 77 H VAL 77 5.292 3.281 -3.053 518 HA VAL 77 HA VAL 77 5.693 5.797 -4.532 519 HB VAL 77 HB VAL 77 6.185 4.456 -5.823 520 1HG1 VAL 77 1HG1 VAL 77 3.567 2.875 -5.565 521 2HG1 VAL 77 2HG1 VAL 77 5.185 2.281 -5.195 522 3HG1 VAL 77 3HG1 VAL 77 4.687 2.493 -6.874 523 1HG2 VAL 77 1HG2 VAL 77 3.479 5.344 -6.765 524 2HG2 VAL 77 2HG2 VAL 77 4.636 4.654 -7.906 525 3HG2 VAL 77 3HG2 VAL 77 5.043 6.118 -7.013 526 HA PRO 78 HA PRO 78 1.781 7.680 -3.493 527 1HB PRO 78 2HB PRO 78 2.686 9.259 -5.814 528 2HB PRO 78 1HB PRO 78 2.275 9.808 -4.184 529 1HG PRO 78 2HG PRO 78 4.800 9.779 -5.010 530 2HG PRO 78 1HG PRO 78 4.376 9.329 -3.346 531 1HD PRO 78 2HD PRO 78 5.031 7.519 -5.664 532 2HD PRO 78 1HD PRO 78 5.520 7.326 -3.980 533 H LEU 79 H LEU 79 0.426 6.399 -3.950 534 HA LEU 79 HA LEU 79 -0.252 6.007 -6.734 535 1HB LEU 79 2HB LEU 79 -1.003 3.738 -6.004 536 2HB LEU 79 1HB LEU 79 0.666 4.256 -5.644 537 HG LEU 79 HG LEU 79 0.449 4.232 -3.408 538 1HD1 LEU 79 1HD1 LEU 79 -1.620 3.835 -2.181 539 2HD1 LEU 79 2HD1 LEU 79 -2.534 3.817 -3.688 540 3HD1 LEU 79 3HD1 LEU 79 -1.759 5.306 -3.145 541 1HD2 LEU 79 1HD2 LEU 79 -0.280 1.950 -2.997 542 2HD2 LEU 79 2HD2 LEU 79 0.661 2.095 -4.479 543 3HD2 LEU 79 3HD2 LEU 79 -1.093 1.928 -4.560 544 H ASN 80 H ASN 80 -0.992 8.160 -5.299 545 HA ASN 80 HA ASN 80 -3.396 8.483 -4.043 546 1HB ASN 80 2HB ASN 80 -2.039 10.390 -4.340 547 2HB ASN 80 1HB ASN 80 -2.152 10.289 -6.091 548 1HD2 ASN 80 1HD2 ASN 80 -3.816 11.224 -3.153 549 2HD2 ASN 80 2HD2 ASN 80 -5.027 12.161 -3.913 550 H ASN 81 H ASN 81 -3.184 7.970 -7.365 551 HA ASN 81 HA ASN 81 -5.965 8.751 -7.808 552 1HB ASN 81 2HB ASN 81 -3.882 7.824 -9.757 553 2HB ASN 81 1HB ASN 81 -5.549 8.143 -10.223 554 1HD2 ASN 81 1HD2 ASN 81 -2.584 9.526 -9.139 555 2HD2 ASN 81 2HD2 ASN 81 -2.975 11.168 -9.499 556 H PHE 82 H PHE 82 -5.386 6.216 -6.287 557 HA PHE 82 HA PHE 82 -7.225 4.580 -7.865 558 1HB PHE 82 2HB PHE 82 -5.021 3.606 -6.029 559 2HB PHE 82 1HB PHE 82 -6.230 2.589 -6.790 560 HD1 PHE 82 1HD PHE 82 -6.191 2.276 -9.245 561 HD2 PHE 82 2HD PHE 82 -3.063 4.296 -7.180 562 HE1 PHE 82 1HE PHE 82 -4.705 1.944 -11.170 563 HE2 PHE 82 2HE PHE 82 -1.581 3.974 -9.104 564 HZ PHE 82 HZ PHE 82 -2.398 2.797 -11.104 565 H SER 83 H SER 83 -8.827 3.725 -6.817 566 HA SER 83 HA SER 83 -9.518 4.843 -4.243 567 1HB SER 83 2HB SER 83 -11.119 4.631 -6.193 568 2HB SER 83 1HB SER 83 -11.143 2.897 -5.900 569 HG SER 83 HG SER 83 -11.962 4.933 -4.063 570 H ALA 84 H ALA 84 -10.847 2.989 -2.799 571 HA ALA 84 HA ALA 84 -8.893 1.840 -1.320 572 1HB ALA 84 1HB ALA 84 -10.669 0.570 -0.176 573 2HB ALA 84 2HB ALA 84 -11.801 1.116 -1.436 574 3HB ALA 84 3HB ALA 84 -10.950 2.288 -0.408 575 H ASP 85 H ASP 85 -11.220 0.074 -3.396 576 HA ASP 85 HA ASP 85 -9.990 -2.484 -3.124 577 1HB ASP 85 2HB ASP 85 -12.020 -1.480 -5.120 578 2HB ASP 85 1HB ASP 85 -11.448 -3.140 -5.073 579 H GLN 86 H GLN 86 -9.582 0.143 -5.265 580 HA GLN 86 HA GLN 86 -8.151 -1.357 -7.261 581 1HB GLN 86 2HB GLN 86 -8.398 1.609 -6.786 582 2HB GLN 86 1HB GLN 86 -7.467 0.906 -8.105 583 1HG GLN 86 2HG GLN 86 -10.409 0.476 -7.650 584 2HG GLN 86 1HG GLN 86 -9.713 1.632 -8.790 585 1HE2 GLN 86 1HE2 GLN 86 -7.545 -0.116 -9.572 586 2HE2 GLN 86 2HE2 GLN 86 -8.197 -1.347 -10.569 587 H VAL 87 H VAL 87 -7.118 0.690 -4.578 588 HA VAL 87 HA VAL 87 -4.459 0.094 -5.216 589 HB VAL 87 HB VAL 87 -3.860 0.780 -2.822 590 1HG1 VAL 87 1HG1 VAL 87 -5.517 2.694 -4.423 591 2HG1 VAL 87 2HG1 VAL 87 -3.801 2.351 -4.677 592 3HG1 VAL 87 3HG1 VAL 87 -4.343 3.125 -3.182 593 1HG2 VAL 87 1HG2 VAL 87 -5.984 0.229 -1.794 594 2HG2 VAL 87 2HG2 VAL 87 -6.757 1.539 -2.703 595 3HG2 VAL 87 3HG2 VAL 87 -5.484 1.887 -1.522 596 H THR 88 H THR 88 -6.754 -1.621 -3.077 597 HA THR 88 HA THR 88 -4.758 -3.387 -2.158 598 HB THR 88 HB THR 88 -6.665 -4.922 -1.553 599 HG1 THR 88 1HG THR 88 -8.264 -4.493 -2.985 600 1HG2 THR 88 1HG2 THR 88 -7.609 -3.403 0.116 601 2HG2 THR 88 2HG2 THR 88 -6.927 -2.030 -0.758 602 3HG2 THR 88 3HG2 THR 88 -5.861 -3.223 -0.014 603 H ARG 89 H ARG 89 -6.795 -3.584 -4.835 604 HA ARG 89 HA ARG 89 -5.933 -6.271 -5.541 605 1HB ARG 89 2HB ARG 89 -8.243 -5.445 -6.051 606 2HB ARG 89 1HB ARG 89 -7.551 -4.354 -7.236 607 1HG ARG 89 2HG ARG 89 -6.723 -6.275 -8.511 608 2HG ARG 89 1HG ARG 89 -7.439 -7.363 -7.318 609 1HD ARG 89 2HD ARG 89 -9.647 -6.330 -7.802 610 2HD ARG 89 1HD ARG 89 -8.882 -5.402 -9.089 611 HE ARG 89 HE ARG 89 -8.557 -8.276 -9.214 612 1HH1 ARG 89 1HH1 ARG 89 -10.154 -5.410 -10.538 613 2HH1 ARG 89 2HH1 ARG 89 -11.010 -6.238 -11.741 614 1HH2 ARG 89 1HH2 ARG 89 -9.647 -9.437 -10.878 615 2HH2 ARG 89 2HH2 ARG 89 -10.724 -8.651 -11.945 616 H ALA 90 H ALA 90 -5.307 -2.990 -6.790 617 HA ALA 90 HA ALA 90 -3.504 -3.912 -8.814 618 1HB ALA 90 1HB ALA 90 -2.694 -1.629 -8.966 619 2HB ALA 90 2HB ALA 90 -3.472 -1.217 -7.437 620 3HB ALA 90 3HB ALA 90 -4.454 -1.609 -8.849 621 H LEU 91 H LEU 91 -3.055 -3.097 -5.362 622 HA LEU 91 HA LEU 91 -0.296 -3.464 -5.290 623 1HB LEU 91 2HB LEU 91 -2.392 -4.044 -3.114 624 2HB LEU 91 1HB LEU 91 -0.878 -4.779 -3.071 625 HG LEU 91 HG LEU 91 0.387 -2.849 -2.803 626 1HD1 LEU 91 1HD1 LEU 91 -0.657 -1.376 -4.411 627 2HD1 LEU 91 2HD1 LEU 91 -0.492 -0.585 -2.843 628 3HD1 LEU 91 3HD1 LEU 91 -2.063 -1.201 -3.361 629 1HD2 LEU 91 1HD2 LEU 91 -0.569 -1.853 -0.786 630 2HD2 LEU 91 2HD2 LEU 91 -0.733 -3.607 -0.802 631 3HD2 LEU 91 3HD2 LEU 91 -2.125 -2.586 -1.169 632 H GLU 92 H GLU 92 -2.831 -5.855 -4.874 633 HA GLU 92 HA GLU 92 -1.054 -8.037 -4.760 634 1HB GLU 92 2HB GLU 92 -3.597 -8.059 -4.153 635 2HB GLU 92 1HB GLU 92 -3.847 -8.052 -5.852 636 1HG GLU 92 2HG GLU 92 -2.833 -10.153 -6.207 637 2HG GLU 92 1HG GLU 92 -2.326 -10.248 -4.520 638 H ASN 93 H ASN 93 -2.619 -6.682 -7.521 639 HA ASN 93 HA ASN 93 -1.627 -8.361 -9.483 640 1HB ASN 93 2HB ASN 93 -2.570 -5.606 -9.287 641 2HB ASN 93 1HB ASN 93 -1.581 -5.835 -10.693 642 1HD2 ASN 93 1HD2 ASN 93 -4.539 -6.550 -9.090 643 2HD2 ASN 93 2HD2 ASN 93 -5.324 -7.302 -10.441 644 H VAL 94 H VAL 94 -0.189 -5.240 -8.497 645 HA VAL 94 HA VAL 94 2.186 -5.636 -9.883 646 HB VAL 94 HB VAL 94 3.239 -4.097 -8.438 647 1HG1 VAL 94 1HG1 VAL 94 0.643 -3.180 -9.751 648 2HG1 VAL 94 2HG1 VAL 94 2.213 -3.323 -10.537 649 3HG1 VAL 94 3HG1 VAL 94 1.940 -2.061 -9.334 650 1HG2 VAL 94 1HG2 VAL 94 1.891 -2.530 -7.012 651 2HG2 VAL 94 2HG2 VAL 94 2.065 -4.175 -6.393 652 3HG2 VAL 94 3HG2 VAL 94 0.557 -3.676 -7.158 653 H LEU 95 H LEU 95 1.492 -6.465 -6.605 654 HA LEU 95 HA LEU 95 4.277 -6.972 -6.601 655 1HB LEU 95 2HB LEU 95 4.106 -7.206 -4.121 656 2HB LEU 95 1HB LEU 95 3.722 -5.652 -4.842 657 HG LEU 95 HG LEU 95 1.328 -6.483 -4.766 658 1HD1 LEU 95 1HD1 LEU 95 2.427 -8.243 -2.612 659 2HD1 LEU 95 2HD1 LEU 95 1.648 -8.736 -4.118 660 3HD1 LEU 95 3HD1 LEU 95 0.723 -7.869 -2.894 661 1HD2 LEU 95 1HD2 LEU 95 1.044 -5.487 -2.561 662 2HD2 LEU 95 2HD2 LEU 95 2.113 -4.567 -3.623 663 3HD2 LEU 95 3HD2 LEU 95 2.789 -5.561 -2.334 664 H SER 96 H SER 96 1.477 -8.880 -6.462 665 HA SER 96 HA SER 96 3.104 -10.953 -5.584 666 1HB SER 96 2HB SER 96 0.306 -11.085 -6.758 667 2HB SER 96 1HB SER 96 1.161 -12.479 -6.090 668 HG SER 96 HG SER 96 0.012 -11.727 -4.417 669 H GLY 97 H GLY 97 2.292 -9.520 -8.762 670 1HA GLY 97 2HA GLY 97 4.515 -11.046 -9.733 671 2HA GLY 97 1HA GLY 97 2.995 -11.611 -10.376 672 H LYS 98 H LYS 98 3.451 -8.110 -9.847 673 HA LYS 98 HA LYS 98 3.382 -8.027 -12.834 674 1HB LYS 98 2HB LYS 98 1.695 -6.784 -11.216 675 2HB LYS 98 1HB LYS 98 2.956 -5.598 -11.183 676 1HG LYS 98 2HG LYS 98 1.635 -6.499 -13.743 677 2HG LYS 98 1HG LYS 98 1.140 -5.089 -12.820 678 1HD LYS 98 2HD LYS 98 3.442 -4.167 -13.149 679 2HD LYS 98 1HD LYS 98 3.784 -5.542 -14.204 680 1HE LYS 98 2HE LYS 98 1.948 -4.878 -15.672 681 2HE LYS 98 1HE LYS 98 1.587 -3.517 -14.613 682 1HZ LYS 98 1HZ LYS 98 3.984 -2.811 -15.088 683 2HZ LYS 98 2HZ LYS 98 2.847 -2.601 -16.288 684 3HZ LYS 98 3HZ LYS 98 3.925 -3.892 -16.392 685 H ALA 99 H ALA 99 4.807 -6.885 -10.136 686 HA ALA 99 HA ALA 99 6.561 -4.928 -10.682 687 1HB ALA 99 1HB ALA 99 7.921 -5.663 -8.847 688 2HB ALA 99 2HB ALA 99 7.249 -7.294 -8.977 689 3HB ALA 99 3HB ALA 99 6.208 -5.945 -8.512 Start of MODEL 11 1 H GLY 15 H GLY 15 2.804 -10.903 -1.190 2 1HA GLY 15 1HA GLY 15 3.725 -13.016 -2.069 3 2HA GLY 15 2HA GLY 15 3.374 -12.403 -3.685 4 H LEU 16 H LEU 16 4.768 -11.076 -0.676 5 HA LEU 16 HA LEU 16 7.126 -10.461 -2.005 6 1HB LEU 16 2HB LEU 16 6.954 -7.983 -1.404 7 2HB LEU 16 1HB LEU 16 6.277 -8.571 -2.888 8 HG LEU 16 HG LEU 16 4.079 -8.099 -2.197 9 1HD1 LEU 16 1HD1 LEU 16 5.130 -7.721 0.616 10 2HD1 LEU 16 2HD1 LEU 16 4.175 -9.096 0.026 11 3HD1 LEU 16 3HD1 LEU 16 3.464 -7.486 0.064 12 1HD2 LEU 16 1HD2 LEU 16 5.908 -6.029 -1.037 13 2HD2 LEU 16 2HD2 LEU 16 4.216 -5.792 -1.479 14 3HD2 LEU 16 3HD2 LEU 16 5.408 -6.174 -2.722 15 H ARG 17 H ARG 17 8.389 -8.853 -0.487 16 HA ARG 17 HA ARG 17 8.469 -10.368 1.955 17 1HB ARG 17 2HB ARG 17 10.429 -8.363 0.859 18 2HB ARG 17 1HB ARG 17 10.667 -9.354 2.292 19 1HG ARG 17 2HG ARG 17 10.486 -11.356 0.897 20 2HG ARG 17 1HG ARG 17 10.358 -10.331 -0.535 21 1HD ARG 17 2HD ARG 17 12.569 -9.374 0.030 22 2HD ARG 17 1HD ARG 17 12.677 -10.482 1.395 23 HE ARG 17 HE ARG 17 13.179 -11.061 -1.356 24 1HH1 ARG 17 1HH1 ARG 17 11.924 -12.641 1.548 25 2HH1 ARG 17 2HH1 ARG 17 12.612 -14.146 1.215 26 1HH2 ARG 17 1HH2 ARG 17 14.107 -13.064 -1.839 27 2HH2 ARG 17 2HH2 ARG 17 13.936 -14.402 -0.769 28 H GLU 18 H GLU 18 7.645 -7.181 0.793 29 HA GLU 18 HA GLU 18 6.340 -6.697 3.323 30 1HB GLU 18 2HB GLU 18 7.521 -4.623 3.913 31 2HB GLU 18 1HB GLU 18 8.421 -6.114 4.296 32 1HG GLU 18 2HG GLU 18 9.682 -5.498 2.082 33 2HG GLU 18 1HG GLU 18 8.819 -3.984 2.234 34 H ILE 19 H ILE 19 4.792 -5.019 3.423 35 HA ILE 19 HA ILE 19 5.057 -2.976 1.369 36 HB ILE 19 HB ILE 19 2.656 -4.450 2.328 37 1HG1 ILE 19 2HG1 ILE 19 3.697 -4.913 0.129 38 2HG1 ILE 19 1HG1 ILE 19 1.995 -4.482 0.036 39 1HG2 ILE 19 1HG2 ILE 19 1.093 -2.697 1.585 40 2HG2 ILE 19 2HG2 ILE 19 2.455 -1.598 1.372 41 3HG2 ILE 19 3HG2 ILE 19 2.056 -2.202 2.981 42 1HD1 ILE 19 1HD1 ILE 19 4.315 -2.661 -0.549 43 2HD1 ILE 19 2HD1 ILE 19 2.608 -2.222 -0.650 44 3HD1 ILE 19 3HD1 ILE 19 3.272 -3.439 -1.739 45 H ARG 20 H ARG 20 5.348 -1.151 2.128 46 HA ARG 20 HA ARG 20 4.554 -0.538 4.898 47 1HB ARG 20 2HB ARG 20 6.914 0.592 3.377 48 2HB ARG 20 1HB ARG 20 6.394 1.113 4.965 49 1HG ARG 20 2HG ARG 20 6.965 -1.105 5.860 50 2HG ARG 20 1HG ARG 20 7.513 -1.596 4.249 51 1HD ARG 20 2HD ARG 20 9.131 0.252 4.256 52 2HD ARG 20 1HD ARG 20 8.608 0.697 5.876 53 HE ARG 20 HE ARG 20 9.575 -2.004 5.525 54 1HH1 ARG 20 1HH1 ARG 20 10.440 1.335 6.398 55 2HH1 ARG 20 2HH1 ARG 20 11.784 0.905 7.336 56 1HH2 ARG 20 1HH2 ARG 20 11.414 -2.606 6.832 57 2HH2 ARG 20 2HH2 ARG 20 12.389 -1.415 7.554 58 H ILE 21 H ILE 21 2.718 0.571 4.591 59 HA ILE 21 HA ILE 21 2.326 2.319 2.316 60 HB ILE 21 HB ILE 21 0.913 2.930 4.733 61 1HG1 ILE 21 2HG1 ILE 21 0.067 0.348 3.402 62 2HG1 ILE 21 1HG1 ILE 21 1.036 0.395 4.879 63 1HG2 ILE 21 1HG2 ILE 21 0.304 3.959 2.674 64 2HG2 ILE 21 2HG2 ILE 21 -1.059 2.981 3.212 65 3HG2 ILE 21 3HG2 ILE 21 -0.011 2.396 1.920 66 1HD1 ILE 21 1HD1 ILE 21 -0.712 1.636 5.986 67 2HD1 ILE 21 2HD1 ILE 21 -1.324 0.080 5.394 68 3HD1 ILE 21 3HD1 ILE 21 -1.691 1.585 4.530 69 H HIS 22 H HIS 22 2.978 4.275 2.411 70 HA HIS 22 HA HIS 22 3.863 5.379 4.959 71 1HB HIS 22 2HB HIS 22 4.130 6.450 2.115 72 2HB HIS 22 1HB HIS 22 4.713 7.294 3.547 73 HD1 HIS 22 1HD HIS 22 6.506 5.956 0.993 74 HD2 HIS 22 2HD HIS 22 6.204 4.735 4.968 75 HE1 HIS 22 1HE HIS 22 8.505 4.619 1.439 76 HE2 HIS 22 2HE HIS 22 8.501 4.542 3.926 77 H LEU 23 H LEU 23 2.371 6.471 6.070 78 HA LEU 23 HA LEU 23 0.018 7.403 4.615 79 1HB LEU 23 2HB LEU 23 -0.507 5.288 5.587 80 2HB LEU 23 1HB LEU 23 0.152 5.774 7.136 81 HG LEU 23 HG LEU 23 -1.652 7.471 7.322 82 1HD1 LEU 23 1HD1 LEU 23 -2.150 7.789 4.976 83 2HD1 LEU 23 2HD1 LEU 23 -3.602 7.313 5.859 84 3HD1 LEU 23 3HD1 LEU 23 -2.752 6.137 4.857 85 1HD2 LEU 23 1HD2 LEU 23 -2.556 4.623 6.950 86 2HD2 LEU 23 2HD2 LEU 23 -3.427 5.867 7.846 87 3HD2 LEU 23 3HD2 LEU 23 -1.851 5.310 8.413 88 H CYS 24 H CYS 24 -0.619 9.346 5.219 89 HA CYS 24 HA CYS 24 -0.070 10.403 7.840 90 1HB CYS 24 2HB CYS 24 0.719 11.949 5.358 91 2HB CYS 24 1HB CYS 24 0.919 12.444 7.027 92 H GLN 25 H GLN 25 -1.216 12.559 7.907 93 HA GLN 25 HA GLN 25 -3.253 12.895 5.823 94 1HB GLN 25 2HB GLN 25 -3.882 11.925 8.328 95 2HB GLN 25 1HB GLN 25 -3.999 13.659 8.603 96 1HG GLN 25 2HG GLN 25 -5.524 12.066 6.546 97 2HG GLN 25 1HG GLN 25 -6.166 12.735 8.039 98 1HE2 GLN 25 1HE2 GLN 25 -6.647 14.916 8.133 99 2HE2 GLN 25 2HE2 GLN 25 -6.672 15.916 6.722 100 H ARG 26 H ARG 26 -0.837 13.951 5.871 101 HA ARG 26 HA ARG 26 -0.835 16.505 7.315 102 1HB ARG 26 2HB ARG 26 1.052 14.706 7.417 103 2HB ARG 26 1HB ARG 26 1.478 15.272 5.819 104 1HG ARG 26 2HG ARG 26 1.485 16.947 8.339 105 2HG ARG 26 1HG ARG 26 2.894 16.211 7.595 106 1HD ARG 26 2HD ARG 26 2.438 17.589 5.561 107 2HD ARG 26 1HD ARG 26 1.154 18.395 6.458 108 HE ARG 26 HE ARG 26 3.767 18.403 7.698 109 1HH1 ARG 26 1HH1 ARG 26 1.275 20.254 6.045 110 2HH1 ARG 26 2HH1 ARG 26 2.135 21.717 5.978 111 1HH2 ARG 26 1HH2 ARG 26 5.025 20.445 7.623 112 2HH2 ARG 26 2HH2 ARG 26 4.335 21.803 6.836 113 H SER 27 H SER 27 -0.002 15.143 4.050 114 HA SER 27 HA SER 27 -0.312 17.850 2.995 115 1HB SER 27 2HB SER 27 1.075 15.377 1.914 116 2HB SER 27 1HB SER 27 1.060 16.959 1.129 117 HG SER 27 HG SER 27 1.953 17.748 3.177 118 HA PRO 28 HA PRO 28 -3.576 17.191 -0.283 119 1HB PRO 28 2HB PRO 28 -1.427 15.489 -1.595 120 2HB PRO 28 1HB PRO 28 -2.749 16.400 -2.375 121 1HG PRO 28 2HG PRO 28 -0.305 17.423 -2.041 122 2HG PRO 28 1HG PRO 28 -1.762 18.427 -1.895 123 1HD PRO 28 2HD PRO 28 0.149 17.674 0.177 124 2HD PRO 28 1HD PRO 28 -1.189 18.836 0.268 125 H GLY 29 H GLY 29 -5.098 16.096 0.779 126 1HA GLY 29 2HA GLY 29 -4.960 13.646 2.020 127 2HA GLY 29 1HA GLY 29 -6.444 14.418 1.484 128 H SER 30 H SER 30 -5.248 11.617 1.507 129 HA SER 30 HA SER 30 -5.810 11.047 -1.296 130 1HB SER 30 2HB SER 30 -3.930 9.585 0.550 131 2HB SER 30 1HB SER 30 -4.256 9.209 -1.148 132 HG SER 30 HG SER 30 -3.440 11.809 -0.481 133 H GLN 31 H GLN 31 -7.376 9.827 -1.649 134 HA GLN 31 HA GLN 31 -9.000 8.957 0.629 135 1HB GLN 31 2HB GLN 31 -10.913 8.943 -0.930 136 2HB GLN 31 1HB GLN 31 -10.146 10.521 -0.863 137 1HG GLN 31 2HG GLN 31 -9.096 10.170 -2.992 138 2HG GLN 31 1HG GLN 31 -9.623 8.492 -3.030 139 1HE2 GLN 31 1HE2 GLN 31 -10.632 8.813 -4.988 140 2HE2 GLN 31 2HE2 GLN 31 -12.141 9.643 -5.136 141 H GLY 32 H GLY 32 -7.413 7.932 -2.253 142 1HA GLY 32 2HA GLY 32 -8.490 5.365 -2.407 143 2HA GLY 32 1HA GLY 32 -6.911 5.881 -3.014 144 H VAL 33 H VAL 33 -5.889 6.874 -0.676 145 HA VAL 33 HA VAL 33 -5.217 4.288 0.407 146 HB VAL 33 HB VAL 33 -3.594 5.252 1.977 147 1HG1 VAL 33 1HG1 VAL 33 -3.239 6.125 -0.852 148 2HG1 VAL 33 2HG1 VAL 33 -2.837 4.558 -0.145 149 3HG1 VAL 33 3HG1 VAL 33 -1.954 6.004 0.349 150 1HG2 VAL 33 1HG2 VAL 33 -4.579 7.426 2.417 151 2HG2 VAL 33 2HG2 VAL 33 -4.288 7.915 0.748 152 3HG2 VAL 33 3HG2 VAL 33 -2.925 7.611 1.830 153 H ARG 34 H ARG 34 -6.560 7.179 1.889 154 HA ARG 34 HA ARG 34 -7.351 6.491 4.348 155 1HB ARG 34 2HB ARG 34 -8.056 8.481 2.900 156 2HB ARG 34 1HB ARG 34 -9.338 7.460 2.349 157 1HG ARG 34 2HG ARG 34 -10.193 7.192 4.627 158 2HG ARG 34 1HG ARG 34 -8.951 8.310 5.205 159 1HD ARG 34 2HD ARG 34 -11.125 8.915 3.207 160 2HD ARG 34 1HD ARG 34 -11.048 9.488 4.873 161 HE ARG 34 HE ARG 34 -8.890 10.589 4.117 162 1HH1 ARG 34 1HH1 ARG 34 -11.701 10.142 2.029 163 2HH1 ARG 34 2HH1 ARG 34 -11.371 11.451 1.018 164 1HH2 ARG 34 1HH2 ARG 34 -8.415 12.453 2.747 165 2HH2 ARG 34 2HH2 ARG 34 -9.406 12.776 1.406 166 H ASP 35 H ASP 35 -9.347 5.757 1.527 167 HA ASP 35 HA ASP 35 -11.103 4.040 2.918 168 1HB ASP 35 2HB ASP 35 -10.562 4.511 0.056 169 2HB ASP 35 1HB ASP 35 -11.513 3.129 0.479 170 H PHE 36 H PHE 36 -8.255 3.282 0.992 171 HA PHE 36 HA PHE 36 -8.380 0.554 1.384 172 1HB PHE 36 2HB PHE 36 -6.713 1.155 -0.090 173 2HB PHE 36 1HB PHE 36 -6.289 2.581 0.782 174 HD1 PHE 36 1HD PHE 36 -5.085 -0.295 -0.522 175 HD2 PHE 36 2HD PHE 36 -5.037 1.693 3.246 176 HE1 PHE 36 1HE PHE 36 -2.972 -1.408 0.034 177 HE2 PHE 36 2HE PHE 36 -2.924 0.576 3.792 178 HZ PHE 36 HZ PHE 36 -1.884 -0.970 2.194 179 H ILE 37 H ILE 37 -6.902 2.919 3.317 180 HA ILE 37 HA ILE 37 -5.810 1.329 5.420 181 HB ILE 37 HB ILE 37 -6.882 4.019 6.021 182 1HG1 ILE 37 2HG1 ILE 37 -5.617 4.690 4.001 183 2HG1 ILE 37 1HG1 ILE 37 -4.772 5.170 5.427 184 1HG2 ILE 37 1HG2 ILE 37 -4.453 2.606 7.041 185 2HG2 ILE 37 2HG2 ILE 37 -5.967 2.925 7.890 186 3HG2 ILE 37 3HG2 ILE 37 -4.883 4.258 7.487 187 1HD1 ILE 37 1HD1 ILE 37 -4.050 2.728 3.870 188 2HD1 ILE 37 2HD1 ILE 37 -3.146 3.466 5.213 189 3HD1 ILE 37 3HD1 ILE 37 -3.354 4.336 3.685 190 H GLU 38 H GLU 38 -9.033 2.448 4.903 191 HA GLU 38 HA GLU 38 -9.750 1.959 7.725 192 1HB GLU 38 2HB GLU 38 -11.258 3.641 5.716 193 2HB GLU 38 1HB GLU 38 -11.721 3.375 7.385 194 1HG GLU 38 2HG GLU 38 -9.268 4.831 6.416 195 2HG GLU 38 1HG GLU 38 -10.714 5.557 7.109 196 H LYS 39 H LYS 39 -11.192 1.846 4.535 197 HA LYS 39 HA LYS 39 -13.344 0.162 5.269 198 1HB LYS 39 2HB LYS 39 -13.517 1.962 3.593 199 2HB LYS 39 1HB LYS 39 -12.294 1.176 2.626 200 1HG LYS 39 2HG LYS 39 -14.918 -0.187 3.161 201 2HG LYS 39 1HG LYS 39 -14.790 1.058 1.925 202 1HD LYS 39 2HD LYS 39 -12.973 -0.271 0.857 203 2HD LYS 39 1HD LYS 39 -13.244 -1.535 2.059 204 1HE LYS 39 2HE LYS 39 -15.580 -1.731 1.281 205 2HE LYS 39 1HE LYS 39 -15.250 -0.526 0.038 206 1HZ LYS 39 1HZ LYS 39 -15.104 -2.792 -0.815 207 2HZ LYS 39 2HZ LYS 39 -13.924 -3.155 0.318 208 3HZ LYS 39 3HZ LYS 39 -13.596 -2.028 -0.930 209 H ARG 40 H ARG 40 -10.184 -0.280 3.674 210 HA ARG 40 HA ARG 40 -11.024 -3.035 3.323 211 1HB ARG 40 2HB ARG 40 -10.634 -1.982 1.193 212 2HB ARG 40 1HB ARG 40 -9.077 -1.372 1.717 213 1HG ARG 40 2HG ARG 40 -8.702 -3.206 0.231 214 2HG ARG 40 1HG ARG 40 -8.271 -3.674 1.875 215 1HD ARG 40 2HD ARG 40 -9.383 -5.547 0.974 216 2HD ARG 40 1HD ARG 40 -10.558 -4.761 2.016 217 HE ARG 40 HE ARG 40 -10.985 -3.762 -0.525 218 1HH1 ARG 40 1HH1 ARG 40 -11.155 -6.978 1.040 219 2HH1 ARG 40 2HH1 ARG 40 -12.255 -7.609 -0.081 220 1HH2 ARG 40 1HH2 ARG 40 -12.523 -4.672 -2.064 221 2HH2 ARG 40 2HH2 ARG 40 -13.039 -6.270 -1.894 222 H TYR 41 H TYR 41 -8.932 -1.084 5.172 223 HA TYR 41 HA TYR 41 -6.519 -2.222 5.493 224 1HB TYR 41 2HB TYR 41 -7.617 -0.531 7.064 225 2HB TYR 41 1HB TYR 41 -8.260 -1.905 7.876 226 HD1 TYR 41 1HD TYR 41 -7.150 -3.019 9.544 227 HD2 TYR 41 2HD TYR 41 -4.967 -0.447 6.970 228 HE1 TYR 41 1HE TYR 41 -5.203 -3.290 10.968 229 HE2 TYR 41 2HE TYR 41 -2.981 -0.706 8.394 230 HH TYR 41 HH TYR 41 -2.530 -1.278 10.791 231 H VAL 42 H VAL 42 -8.878 -3.625 7.663 232 HA VAL 42 HA VAL 42 -7.193 -5.761 8.285 233 HB VAL 42 HB VAL 42 -8.776 -5.148 9.898 234 1HG1 VAL 42 1HG1 VAL 42 -11.189 -5.028 9.533 235 2HG1 VAL 42 2HG1 VAL 42 -10.933 -5.474 7.833 236 3HG1 VAL 42 3HG1 VAL 42 -10.247 -3.974 8.467 237 1HG2 VAL 42 1HG2 VAL 42 -8.502 -7.568 9.833 238 2HG2 VAL 42 2HG2 VAL 42 -9.827 -7.713 8.678 239 3HG2 VAL 42 3HG2 VAL 42 -10.148 -7.162 10.327 240 H GLU 43 H GLU 43 -9.460 -5.291 5.796 241 HA GLU 43 HA GLU 43 -9.620 -8.053 4.903 242 1HB GLU 43 2HB GLU 43 -10.366 -5.518 3.449 243 2HB GLU 43 1HB GLU 43 -10.936 -7.153 3.146 244 1HG GLU 43 2HG GLU 43 -11.581 -5.460 5.551 245 2HG GLU 43 1HG GLU 43 -12.653 -5.799 4.193 246 H LEU 44 H LEU 44 -7.437 -5.255 4.280 247 HA LEU 44 HA LEU 44 -6.412 -6.751 2.003 248 1HB LEU 44 2HB LEU 44 -4.959 -4.803 1.644 249 2HB LEU 44 1HB LEU 44 -6.640 -4.343 1.737 250 HG LEU 44 HG LEU 44 -5.985 -3.754 4.232 251 1HD1 LEU 44 1HD1 LEU 44 -3.754 -2.825 4.355 252 2HD1 LEU 44 2HD1 LEU 44 -3.390 -3.542 2.773 253 3HD1 LEU 44 3HD1 LEU 44 -3.749 -4.578 4.146 254 1HD2 LEU 44 1HD2 LEU 44 -5.313 -2.081 1.853 255 2HD2 LEU 44 2HD2 LEU 44 -5.579 -1.505 3.498 256 3HD2 LEU 44 3HD2 LEU 44 -6.899 -2.258 2.599 257 H LYS 45 H LYS 45 -5.869 -6.299 5.234 258 HA LYS 45 HA LYS 45 -3.291 -7.415 5.443 259 1HB LYS 45 2HB LYS 45 -4.550 -6.170 7.216 260 2HB LYS 45 1HB LYS 45 -5.625 -7.545 7.363 261 1HG LYS 45 2HG LYS 45 -3.735 -8.923 8.104 262 2HG LYS 45 1HG LYS 45 -2.679 -7.511 7.991 263 1HD LYS 45 2HD LYS 45 -3.349 -7.702 10.282 264 2HD LYS 45 1HD LYS 45 -4.235 -6.344 9.584 265 1HE LYS 45 2HE LYS 45 -5.758 -7.607 10.922 266 2HE LYS 45 1HE LYS 45 -6.170 -7.865 9.228 267 1HZ LYS 45 1HZ LYS 45 -4.703 -9.711 11.023 268 2HZ LYS 45 2HZ LYS 45 -4.844 -9.987 9.384 269 3HZ LYS 45 3HZ LYS 45 -6.227 -9.973 10.356 270 H LYS 46 H LYS 46 -6.587 -8.717 5.527 271 HA LYS 46 HA LYS 46 -5.692 -11.450 5.746 272 1HB LYS 46 2HB LYS 46 -7.951 -12.018 5.982 273 2HB LYS 46 1HB LYS 46 -7.851 -10.419 6.701 274 1HG LYS 46 2HG LYS 46 -8.513 -9.798 4.114 275 2HG LYS 46 1HG LYS 46 -9.271 -11.291 4.239 276 1HD LYS 46 2HD LYS 46 -9.804 -9.014 6.073 277 2HD LYS 46 1HD LYS 46 -10.885 -9.741 4.898 278 1HE LYS 46 2HE LYS 46 -10.877 -11.810 6.256 279 2HE LYS 46 1HE LYS 46 -9.874 -10.982 7.451 280 1HZ LYS 46 1HZ LYS 46 -12.684 -10.467 6.733 281 2HZ LYS 46 2HZ LYS 46 -11.759 -9.214 7.267 282 3HZ LYS 46 3HZ LYS 46 -11.986 -10.549 8.289 283 H ALA 47 H ALA 47 -6.510 -9.259 3.165 284 HA ALA 47 HA ALA 47 -7.327 -11.161 1.364 285 1HB ALA 47 1HB ALA 47 -6.232 -8.431 0.760 286 2HB ALA 47 2HB ALA 47 -7.929 -8.844 1.027 287 3HB ALA 47 3HB ALA 47 -7.079 -9.446 -0.404 288 H ASN 48 H ASN 48 -4.264 -9.839 2.263 289 HA ASN 48 HA ASN 48 -2.919 -11.259 0.155 290 1HB ASN 48 2HB ASN 48 -2.135 -8.422 1.029 291 2HB ASN 48 1HB ASN 48 -1.359 -9.421 -0.151 292 1HD2 ASN 48 1HD2 ASN 48 -2.666 -6.621 -0.553 293 2HD2 ASN 48 2HD2 ASN 48 -3.781 -6.920 -1.794 294 HA PRO 49 HA PRO 49 -1.700 -12.693 4.308 295 1HB PRO 49 2HB PRO 49 -0.800 -15.071 3.282 296 2HB PRO 49 1HB PRO 49 -2.481 -14.773 3.752 297 1HG PRO 49 2HG PRO 49 -1.192 -14.551 1.072 298 2HG PRO 49 1HG PRO 49 -2.707 -15.350 1.468 299 1HD PRO 49 2HD PRO 49 -2.696 -12.926 0.395 300 2HD PRO 49 1HD PRO 49 -3.828 -13.158 1.725 301 H ASP 50 H ASP 50 0.039 -13.404 1.527 302 HA ASP 50 HA ASP 50 2.604 -12.942 2.878 303 1HB ASP 50 2HB ASP 50 2.397 -14.814 1.191 304 2HB ASP 50 1HB ASP 50 2.255 -13.599 -0.073 305 H LEU 51 H LEU 51 0.948 -10.748 2.789 306 HA LEU 51 HA LEU 51 2.761 -8.957 1.463 307 1HB LEU 51 2HB LEU 51 0.597 -8.987 0.256 308 2HB LEU 51 1HB LEU 51 -0.254 -8.573 1.716 309 HG LEU 51 HG LEU 51 1.687 -6.740 0.254 310 1HD1 LEU 51 1HD1 LEU 51 -0.284 -7.114 -1.041 311 2HD1 LEU 51 2HD1 LEU 51 -0.246 -5.473 -0.392 312 3HD1 LEU 51 3HD1 LEU 51 -1.289 -6.691 0.341 313 1HD2 LEU 51 1HD2 LEU 51 -0.232 -6.134 2.466 314 2HD2 LEU 51 2HD2 LEU 51 0.790 -4.970 1.617 315 3HD2 LEU 51 3HD2 LEU 51 1.519 -6.221 2.628 316 HA PRO 52 HA PRO 52 3.040 -7.989 6.031 317 1HB PRO 52 2HB PRO 52 4.906 -6.275 4.519 318 2HB PRO 52 1HB PRO 52 5.075 -6.962 6.132 319 1HG PRO 52 2HG PRO 52 6.311 -8.142 4.134 320 2HG PRO 52 1HG PRO 52 5.344 -9.175 5.202 321 1HD PRO 52 2HD PRO 52 4.674 -8.106 2.487 322 2HD PRO 52 1HD PRO 52 4.351 -9.716 3.174 323 H ILE 53 H ILE 53 1.857 -6.503 6.857 324 HA ILE 53 HA ILE 53 1.004 -4.192 5.202 325 HB ILE 53 HB ILE 53 -0.434 -5.243 7.679 326 1HG1 ILE 53 2HG1 ILE 53 -0.422 -6.970 5.813 327 2HG1 ILE 53 1HG1 ILE 53 -2.010 -6.468 6.360 328 1HG2 ILE 53 1HG2 ILE 53 -1.019 -2.963 7.218 329 2HG2 ILE 53 2HG2 ILE 53 -2.394 -4.000 6.805 330 3HG2 ILE 53 3HG2 ILE 53 -1.376 -3.355 5.534 331 1HD1 ILE 53 1HD1 ILE 53 -2.196 -5.024 4.353 332 2HD1 ILE 53 2HD1 ILE 53 -2.012 -6.699 3.948 333 3HD1 ILE 53 3HD1 ILE 53 -0.633 -5.612 3.805 334 H LEU 54 H LEU 54 2.648 -2.666 5.841 335 HA LEU 54 HA LEU 54 2.757 -2.047 8.730 336 1HB LEU 54 2HB LEU 54 4.905 -1.623 6.640 337 2HB LEU 54 1HB LEU 54 4.985 -0.999 8.266 338 HG LEU 54 HG LEU 54 6.399 -2.832 8.226 339 1HD1 LEU 54 1HD1 LEU 54 5.427 -4.461 9.739 340 2HD1 LEU 54 2HD1 LEU 54 3.835 -3.768 9.432 341 3HD1 LEU 54 3HD1 LEU 54 5.089 -2.792 10.194 342 1HD2 LEU 54 1HD2 LEU 54 5.805 -5.073 7.424 343 2HD2 LEU 54 2HD2 LEU 54 5.713 -3.865 6.142 344 3HD2 LEU 54 3HD2 LEU 54 4.237 -4.459 6.900 345 H ILE 55 H ILE 55 2.361 0.007 9.378 346 HA ILE 55 HA ILE 55 1.777 1.976 7.312 347 HB ILE 55 HB ILE 55 0.931 1.915 10.250 348 1HG1 ILE 55 2HG1 ILE 55 -1.444 2.096 9.152 349 2HG1 ILE 55 1HG1 ILE 55 -0.615 1.695 7.673 350 1HG2 ILE 55 1HG2 ILE 55 0.440 4.119 8.258 351 2HG2 ILE 55 2HG2 ILE 55 1.485 4.199 9.673 352 3HG2 ILE 55 3HG2 ILE 55 -0.260 4.025 9.875 353 1HD1 ILE 55 1HD1 ILE 55 -0.679 -0.047 10.115 354 2HD1 ILE 55 2HD1 ILE 55 0.102 -0.425 8.580 355 3HD1 ILE 55 3HD1 ILE 55 -1.652 -0.257 8.659 356 H ARG 56 H ARG 56 3.113 3.464 6.996 357 HA ARG 56 HA ARG 56 5.256 4.073 8.906 358 1HB ARG 56 2HB ARG 56 5.461 3.684 5.944 359 2HB ARG 56 1HB ARG 56 6.749 4.292 6.960 360 1HG ARG 56 2HG ARG 56 5.514 1.569 7.364 361 2HG ARG 56 1HG ARG 56 6.951 1.855 6.388 362 1HD ARG 56 2HD ARG 56 7.654 1.118 8.559 363 2HD ARG 56 1HD ARG 56 8.058 2.819 8.399 364 HE ARG 56 HE ARG 56 5.576 2.103 9.780 365 1HH1 ARG 56 1HH1 ARG 56 8.830 3.504 9.955 366 2HH1 ARG 56 2HH1 ARG 56 8.738 3.886 11.612 367 1HH2 ARG 56 1HH2 ARG 56 5.423 2.617 12.049 368 2HH2 ARG 56 2HH2 ARG 56 6.710 3.396 12.830 369 H GLU 57 H GLU 57 6.503 6.018 7.981 370 HA GLU 57 HA GLU 57 4.548 8.135 7.839 371 1HB GLU 57 2HB GLU 57 6.732 9.553 8.326 372 2HB GLU 57 1HB GLU 57 5.887 8.698 9.602 373 1HG GLU 57 2HG GLU 57 8.334 8.448 9.740 374 2HG GLU 57 1HG GLU 57 7.506 6.910 9.546 375 H CYS 58 H CYS 58 5.332 10.220 6.677 376 HA CYS 58 HA CYS 58 5.283 9.533 3.934 377 1HB CYS 58 2HB CYS 58 5.221 12.136 5.391 378 2HB CYS 58 1HB CYS 58 5.324 12.063 3.636 379 H SER 59 H SER 59 6.984 8.900 2.819 380 HA SER 59 HA SER 59 9.511 10.264 3.092 381 1HB SER 59 2HB SER 59 8.736 8.111 1.136 382 2HB SER 59 1HB SER 59 10.335 8.468 1.806 383 HG SER 59 HG SER 59 9.625 7.773 3.808 384 H ASP 60 H ASP 60 6.535 10.820 1.435 385 HA ASP 60 HA ASP 60 7.657 12.674 -0.319 386 1HB ASP 60 2HB ASP 60 7.698 10.413 -1.581 387 2HB ASP 60 1HB ASP 60 5.955 10.368 -1.372 388 H VAL 61 H VAL 61 5.217 13.240 -1.508 389 HA VAL 61 HA VAL 61 3.933 14.795 0.286 390 HB VAL 61 HB VAL 61 2.564 13.412 -2.030 391 1HG1 VAL 61 1HG1 VAL 61 0.915 14.344 -0.526 392 2HG1 VAL 61 2HG1 VAL 61 0.992 15.289 -2.013 393 3HG1 VAL 61 3HG1 VAL 61 1.748 15.898 -0.540 394 1HG2 VAL 61 1HG2 VAL 61 4.484 14.679 -2.775 395 2HG2 VAL 61 2HG2 VAL 61 3.905 16.083 -1.852 396 3HG2 VAL 61 3HG2 VAL 61 2.965 15.481 -3.216 397 H GLN 62 H GLN 62 2.636 11.588 -0.552 398 HA GLN 62 HA GLN 62 1.289 11.525 1.965 399 1HB GLN 62 2HB GLN 62 -0.218 12.583 -0.290 400 2HB GLN 62 1HB GLN 62 -1.120 11.441 0.685 401 1HG GLN 62 2HG GLN 62 0.360 13.820 1.763 402 2HG GLN 62 1HG GLN 62 -1.354 13.820 1.345 403 1HE2 GLN 62 1HE2 GLN 62 -1.869 11.183 2.255 404 2HE2 GLN 62 2HE2 GLN 62 -1.843 11.236 3.982 405 HA PRO 63 HA PRO 63 -0.535 7.538 0.323 406 1HB PRO 63 2HB PRO 63 -1.334 7.268 -2.185 407 2HB PRO 63 1HB PRO 63 -2.209 8.314 -1.082 408 1HG PRO 63 2HG PRO 63 -0.502 8.995 -3.365 409 2HG PRO 63 1HG PRO 63 -1.717 9.980 -2.545 410 1HD PRO 63 2HD PRO 63 1.153 10.004 -2.247 411 2HD PRO 63 1HD PRO 63 -0.050 11.094 -1.528 412 H LYS 64 H LYS 64 2.114 7.231 0.298 413 HA LYS 64 HA LYS 64 2.860 6.018 -2.325 414 1HB LYS 64 2HB LYS 64 4.732 6.502 0.034 415 2HB LYS 64 1HB LYS 64 5.183 5.980 -1.567 416 1HG LYS 64 2HG LYS 64 5.889 8.216 -1.224 417 2HG LYS 64 1HG LYS 64 4.569 8.249 -2.401 418 1HD LYS 64 2HD LYS 64 4.238 10.071 -0.788 419 2HD LYS 64 1HD LYS 64 3.078 8.746 -0.665 420 1HE LYS 64 2HE LYS 64 4.242 7.845 1.264 421 2HE LYS 64 1HE LYS 64 5.527 9.030 1.082 422 1HZ LYS 64 1HZ LYS 64 3.981 9.664 2.869 423 2HZ LYS 64 2HZ LYS 64 2.710 9.595 1.814 424 3HZ LYS 64 3HZ LYS 64 3.897 10.778 1.605 425 H LEU 65 H LEU 65 3.314 3.976 -2.493 426 HA LEU 65 HA LEU 65 2.999 2.380 -0.046 427 1HB LEU 65 2HB LEU 65 2.111 2.093 -2.787 428 2HB LEU 65 1HB LEU 65 2.682 0.618 -2.056 429 HG LEU 65 HG LEU 65 0.200 0.826 -1.811 430 1HD1 LEU 65 1HD1 LEU 65 1.469 -0.489 -0.221 431 2HD1 LEU 65 2HD1 LEU 65 0.099 0.298 0.560 432 3HD1 LEU 65 3HD1 LEU 65 1.725 0.943 0.778 433 1HD2 LEU 65 1HD2 LEU 65 -0.728 2.439 -0.215 434 2HD2 LEU 65 2HD2 LEU 65 0.024 3.259 -1.582 435 3HD2 LEU 65 3HD2 LEU 65 0.862 3.180 -0.032 436 H TRP 66 H TRP 66 4.862 1.700 0.662 437 HA TRP 66 HA TRP 66 6.918 1.329 -1.252 438 1HB TRP 66 2HB TRP 66 7.834 2.263 0.742 439 2HB TRP 66 1HB TRP 66 6.887 1.201 1.787 440 HD1 TRP 66 HD TRP 66 8.012 -1.078 2.514 441 HE1 TRP 66 1HE TRP 66 10.208 -2.256 1.995 442 HE3 TRP 66 3HE TRP 66 9.607 2.014 -1.139 443 HZ2 TRP 66 2HZ TRP 66 12.403 -1.864 0.148 444 HZ3 TRP 66 3HZ TRP 66 11.711 1.565 -2.244 445 HH2 TRP 66 HH TRP 66 13.046 -0.248 -1.697 446 H ALA 67 H ALA 67 7.517 -0.627 -1.916 447 HA ALA 67 HA ALA 67 6.442 -2.990 -0.656 448 1HB ALA 67 1HB ALA 67 6.105 -3.964 -2.880 449 2HB ALA 67 2HB ALA 67 6.554 -2.421 -3.607 450 3HB ALA 67 3HB ALA 67 5.101 -2.539 -2.614 451 H ARG 68 H ARG 68 8.069 -4.504 -0.381 452 HA ARG 68 HA ARG 68 10.273 -4.400 -2.213 453 1HB ARG 68 2HB ARG 68 10.993 -3.531 0.116 454 2HB ARG 68 1HB ARG 68 10.641 -5.151 0.711 455 1HG ARG 68 2HG ARG 68 12.931 -5.251 0.276 456 2HG ARG 68 1HG ARG 68 12.173 -5.947 -1.166 457 1HD ARG 68 2HD ARG 68 12.336 -3.433 -2.082 458 2HD ARG 68 1HD ARG 68 13.542 -3.311 -0.839 459 HE ARG 68 HE ARG 68 13.992 -5.631 -2.364 460 1HH1 ARG 68 1HH1 ARG 68 14.852 -2.185 -2.173 461 2HH1 ARG 68 2HH1 ARG 68 15.891 -2.228 -3.512 462 1HH2 ARG 68 1HH2 ARG 68 15.415 -5.646 -4.283 463 2HH2 ARG 68 2HH2 ARG 68 16.196 -4.213 -4.755 464 H TYR 69 H TYR 69 9.586 -5.769 -3.209 465 HA TYR 69 HA TYR 69 7.904 -8.012 -2.607 466 1HB TYR 69 2HB TYR 69 9.627 -7.649 -5.078 467 2HB TYR 69 1HB TYR 69 8.206 -8.676 -4.925 468 HD1 TYR 69 1HD TYR 69 5.948 -7.634 -4.780 469 HD2 TYR 69 2HD TYR 69 9.428 -5.301 -5.477 470 HE1 TYR 69 1HE TYR 69 4.573 -5.813 -5.537 471 HE2 TYR 69 2HE TYR 69 8.031 -3.446 -6.253 472 HH TYR 69 HH TYR 69 5.875 -2.948 -7.023 473 H ALA 70 H ALA 70 8.525 -10.338 -3.300 474 HA ALA 70 HA ALA 70 10.995 -11.070 -1.920 475 1HB ALA 70 1HB ALA 70 8.839 -12.107 -1.168 476 2HB ALA 70 2HB ALA 70 10.049 -13.279 -1.690 477 3HB ALA 70 3HB ALA 70 8.706 -12.861 -2.756 478 H PHE 71 H PHE 71 9.759 -10.916 -5.064 479 HA PHE 71 HA PHE 71 11.917 -12.440 -6.131 480 1HB PHE 71 2HB PHE 71 9.975 -11.619 -7.526 481 2HB PHE 71 1HB PHE 71 10.589 -9.980 -7.340 482 HD1 PHE 71 1HD PHE 71 11.368 -13.305 -8.743 483 HD2 PHE 71 2HD PHE 71 12.284 -9.160 -8.747 484 HE1 PHE 71 1HE PHE 71 12.795 -13.618 -10.716 485 HE2 PHE 71 2HE PHE 71 13.707 -9.465 -10.719 486 HZ PHE 71 HZ PHE 71 13.968 -11.699 -11.706 487 H GLY 72 H GLY 72 11.515 -9.569 -4.513 488 1HA GLY 72 2HA GLY 72 13.010 -8.425 -3.349 489 2HA GLY 72 1HA GLY 72 14.305 -9.230 -4.193 490 H GLN 73 H GLN 73 11.579 -7.461 -5.448 491 HA GLN 73 HA GLN 73 13.316 -5.371 -6.555 492 1HB GLN 73 2HB GLN 73 10.493 -6.213 -7.272 493 2HB GLN 73 1HB GLN 73 11.305 -4.816 -7.960 494 1HG GLN 73 2HG GLN 73 13.001 -6.274 -8.924 495 2HG GLN 73 1HG GLN 73 12.194 -7.673 -8.218 496 1HE2 GLN 73 1HE2 GLN 73 10.309 -8.440 -9.162 497 2HE2 GLN 73 2HE2 GLN 73 9.760 -7.884 -10.691 498 H GLU 74 H GLU 74 12.203 -3.102 -6.481 499 HA GLU 74 HA GLU 74 10.771 -2.961 -3.952 500 1HB GLU 74 2HB GLU 74 11.822 -0.881 -3.441 501 2HB GLU 74 1HB GLU 74 13.084 -2.028 -3.847 502 1HG GLU 74 2HG GLU 74 11.974 0.020 -5.719 503 2HG GLU 74 1HG GLU 74 13.410 0.280 -4.733 504 H THR 75 H THR 75 9.578 -0.906 -3.732 505 HA THR 75 HA THR 75 8.683 0.549 -5.965 506 HB THR 75 HB THR 75 7.153 -1.721 -4.868 507 HG1 THR 75 1HG THR 75 8.081 -1.451 -7.008 508 1HG2 THR 75 1HG2 THR 75 5.739 0.852 -5.640 509 2HG2 THR 75 2HG2 THR 75 5.678 -0.032 -4.095 510 3HG2 THR 75 3HG2 THR 75 4.943 -0.727 -5.528 511 H ASN 76 H ASN 76 8.049 2.425 -5.189 512 HA ASN 76 HA ASN 76 7.052 2.691 -2.511 513 1HB ASN 76 2HB ASN 76 8.726 4.637 -2.035 514 2HB ASN 76 1HB ASN 76 9.291 2.996 -1.807 515 1HD2 ASN 76 1HD2 ASN 76 11.103 2.217 -3.101 516 2HD2 ASN 76 2HD2 ASN 76 11.838 3.297 -4.224 517 H VAL 77 H VAL 77 5.135 3.418 -3.294 518 HA VAL 77 HA VAL 77 5.465 5.918 -4.809 519 HB VAL 77 HB VAL 77 5.848 4.597 -6.105 520 1HG1 VAL 77 1HG1 VAL 77 3.144 3.164 -5.853 521 2HG1 VAL 77 2HG1 VAL 77 4.734 2.451 -5.587 522 3HG1 VAL 77 3HG1 VAL 77 4.179 2.775 -7.230 523 1HG2 VAL 77 1HG2 VAL 77 3.203 5.720 -6.966 524 2HG2 VAL 77 2HG2 VAL 77 4.256 4.978 -8.170 525 3HG2 VAL 77 3HG2 VAL 77 4.822 6.365 -7.238 526 HA PRO 78 HA PRO 78 1.673 7.828 -3.454 527 1HB PRO 78 2HB PRO 78 2.439 9.455 -5.776 528 2HB PRO 78 1HB PRO 78 2.181 9.954 -4.102 529 1HG PRO 78 2HG PRO 78 4.627 9.889 -5.199 530 2HG PRO 78 1HG PRO 78 4.344 9.505 -3.488 531 1HD PRO 78 2HD PRO 78 4.860 7.630 -5.773 532 2HD PRO 78 1HD PRO 78 5.347 7.434 -4.093 533 H LEU 79 H LEU 79 0.272 6.551 -3.924 534 HA LEU 79 HA LEU 79 -0.452 6.261 -6.699 535 1HB LEU 79 2HB LEU 79 -1.352 4.045 -5.986 536 2HB LEU 79 1HB LEU 79 0.366 4.427 -5.668 537 HG LEU 79 HG LEU 79 0.171 4.415 -3.409 538 1HD1 LEU 79 1HD1 LEU 79 -1.920 4.120 -2.175 539 2HD1 LEU 79 2HD1 LEU 79 -2.835 4.179 -3.684 540 3HD1 LEU 79 3HD1 LEU 79 -1.968 5.608 -3.121 541 1HD2 LEU 79 1HD2 LEU 79 -0.692 2.168 -3.000 542 2HD2 LEU 79 2HD2 LEU 79 0.257 2.266 -4.482 543 3HD2 LEU 79 3HD2 LEU 79 -1.505 2.203 -4.564 544 H ASN 80 H ASN 80 -1.106 8.460 -5.197 545 HA ASN 80 HA ASN 80 -3.625 8.693 -4.023 546 1HB ASN 80 2HB ASN 80 -2.064 10.546 -3.991 547 2HB ASN 80 1HB ASN 80 -2.189 10.761 -5.724 548 1HD2 ASN 80 1HD2 ASN 80 -3.636 11.339 -2.640 549 2HD2 ASN 80 2HD2 ASN 80 -4.894 12.375 -3.184 550 H ASN 81 H ASN 81 -2.923 8.287 -7.247 551 HA ASN 81 HA ASN 81 -5.229 9.424 -8.455 552 1HB ASN 81 2HB ASN 81 -3.022 8.800 -9.563 553 2HB ASN 81 1HB ASN 81 -3.650 7.156 -9.630 554 1HD2 ASN 81 1HD2 ASN 81 -3.912 10.356 -10.772 555 2HD2 ASN 81 2HD2 ASN 81 -4.970 10.074 -12.104 556 H PHE 82 H PHE 82 -4.697 6.297 -6.937 557 HA PHE 82 HA PHE 82 -7.086 5.189 -8.187 558 1HB PHE 82 2HB PHE 82 -5.094 3.839 -6.357 559 2HB PHE 82 1HB PHE 82 -6.337 3.081 -7.347 560 HD1 PHE 82 1HD PHE 82 -2.978 4.381 -7.235 561 HD2 PHE 82 2HD PHE 82 -6.082 3.031 -9.809 562 HE1 PHE 82 1HE PHE 82 -1.344 4.103 -9.046 563 HE2 PHE 82 2HE PHE 82 -4.453 2.748 -11.625 564 HZ PHE 82 HZ PHE 82 -2.080 3.286 -11.243 565 H SER 83 H SER 83 -8.085 3.673 -6.526 566 HA SER 83 HA SER 83 -8.865 5.244 -4.169 567 1HB SER 83 2HB SER 83 -10.546 3.778 -6.170 568 2HB SER 83 1HB SER 83 -11.218 4.366 -4.638 569 HG SER 83 HG SER 83 -9.938 6.399 -5.726 570 H ALA 84 H ALA 84 -10.304 3.664 -2.690 571 HA ALA 84 HA ALA 84 -8.848 2.065 -1.165 572 1HB ALA 84 1HB ALA 84 -11.682 1.457 -1.930 573 2HB ALA 84 2HB ALA 84 -11.119 2.624 -0.728 574 3HB ALA 84 3HB ALA 84 -10.854 0.901 -0.472 575 H ASP 85 H ASP 85 -11.012 0.595 -3.568 576 HA ASP 85 HA ASP 85 -9.824 -1.962 -3.211 577 1HB ASP 85 2HB ASP 85 -12.167 -0.998 -4.831 578 2HB ASP 85 1HB ASP 85 -11.548 -2.635 -5.020 579 H GLN 86 H GLN 86 -9.643 0.540 -5.566 580 HA GLN 86 HA GLN 86 -8.099 -0.995 -7.466 581 1HB GLN 86 2HB GLN 86 -8.577 1.931 -7.080 582 2HB GLN 86 1HB GLN 86 -7.291 1.374 -8.144 583 1HG GLN 86 2HG GLN 86 -10.198 0.669 -8.374 584 2HG GLN 86 1HG GLN 86 -9.312 1.817 -9.387 585 1HE2 GLN 86 1HE2 GLN 86 -7.763 1.059 -10.764 586 2HE2 GLN 86 2HE2 GLN 86 -7.677 -0.604 -11.268 587 H VAL 87 H VAL 87 -7.074 1.014 -4.797 588 HA VAL 87 HA VAL 87 -4.397 0.483 -5.471 589 HB VAL 87 HB VAL 87 -3.775 1.243 -3.164 590 1HG1 VAL 87 1HG1 VAL 87 -4.056 2.877 -4.938 591 2HG1 VAL 87 2HG1 VAL 87 -4.567 3.530 -3.378 592 3HG1 VAL 87 3HG1 VAL 87 -5.773 3.001 -4.550 593 1HG2 VAL 87 1HG2 VAL 87 -6.730 1.562 -2.781 594 2HG2 VAL 87 2HG2 VAL 87 -5.466 2.122 -1.682 595 3HG2 VAL 87 3HG2 VAL 87 -5.697 0.396 -1.963 596 H THR 88 H THR 88 -6.713 -1.219 -3.404 597 HA THR 88 HA THR 88 -4.709 -3.054 -2.621 598 HB THR 88 HB THR 88 -6.714 -4.532 -1.951 599 HG1 THR 88 1HG THR 88 -8.091 -2.062 -2.282 600 1HG2 THR 88 1HG2 THR 88 -7.096 -3.136 0.011 601 2HG2 THR 88 2HG2 THR 88 -6.350 -1.771 -0.818 602 3HG2 THR 88 3HG2 THR 88 -5.387 -3.195 -0.417 603 H ARG 89 H ARG 89 -6.796 -3.048 -5.256 604 HA ARG 89 HA ARG 89 -6.183 -5.741 -6.143 605 1HB ARG 89 2HB ARG 89 -8.251 -4.495 -6.868 606 2HB ARG 89 1HB ARG 89 -7.230 -3.376 -7.750 607 1HG ARG 89 2HG ARG 89 -7.853 -4.724 -9.464 608 2HG ARG 89 1HG ARG 89 -6.433 -5.617 -8.927 609 1HD ARG 89 2HD ARG 89 -9.290 -6.195 -8.140 610 2HD ARG 89 1HD ARG 89 -8.366 -7.079 -9.343 611 HE ARG 89 HE ARG 89 -6.951 -7.865 -7.576 612 1HH1 ARG 89 1HH1 ARG 89 -9.935 -6.285 -6.514 613 2HH1 ARG 89 2HH1 ARG 89 -10.163 -7.274 -5.134 614 1HH2 ARG 89 1HH2 ARG 89 -7.275 -9.240 -5.637 615 2HH2 ARG 89 2HH2 ARG 89 -8.614 -8.944 -4.611 616 H ALA 90 H ALA 90 -5.117 -2.480 -7.025 617 HA ALA 90 HA ALA 90 -3.092 -3.254 -8.857 618 1HB ALA 90 1HB ALA 90 -3.828 -0.895 -8.553 619 2HB ALA 90 2HB ALA 90 -2.075 -1.078 -8.449 620 3HB ALA 90 3HB ALA 90 -3.031 -0.876 -6.980 621 H LEU 91 H LEU 91 -2.899 -2.857 -5.281 622 HA LEU 91 HA LEU 91 -0.236 -3.636 -5.072 623 1HB LEU 91 2HB LEU 91 -2.445 -4.214 -2.942 624 2HB LEU 91 1HB LEU 91 -0.914 -4.876 -2.948 625 HG LEU 91 HG LEU 91 0.294 -2.953 -2.575 626 1HD1 LEU 91 1HD1 LEU 91 -0.744 -1.418 -4.118 627 2HD1 LEU 91 2HD1 LEU 91 -0.606 -0.700 -2.512 628 3HD1 LEU 91 3HD1 LEU 91 -2.163 -1.305 -3.079 629 1HD2 LEU 91 1HD2 LEU 91 -0.834 -3.825 -0.632 630 2HD2 LEU 91 2HD2 LEU 91 -2.233 -2.800 -0.957 631 3HD2 LEU 91 3HD2 LEU 91 -0.688 -2.071 -0.523 632 H GLU 92 H GLU 92 -3.095 -5.684 -5.127 633 HA GLU 92 HA GLU 92 -1.579 -8.059 -4.826 634 1HB GLU 92 2HB GLU 92 -4.140 -7.679 -4.494 635 2HB GLU 92 1HB GLU 92 -4.222 -7.764 -6.213 636 1HG GLU 92 2HG GLU 92 -3.442 -10.034 -6.273 637 2HG GLU 92 1HG GLU 92 -3.246 -10.040 -4.518 638 H ASN 93 H ASN 93 -2.663 -6.385 -7.619 639 HA ASN 93 HA ASN 93 -1.774 -8.079 -9.607 640 1HB ASN 93 2HB ASN 93 -2.399 -5.270 -9.286 641 2HB ASN 93 1HB ASN 93 -1.277 -5.453 -10.587 642 1HD2 ASN 93 1HD2 ASN 93 -4.426 -5.925 -9.408 643 2HD2 ASN 93 2HD2 ASN 93 -5.163 -6.544 -10.853 644 H VAL 94 H VAL 94 0.009 -5.265 -8.374 645 HA VAL 94 HA VAL 94 2.466 -6.033 -9.560 646 HB VAL 94 HB VAL 94 3.519 -4.605 -7.970 647 1HG1 VAL 94 1HG1 VAL 94 2.651 -2.456 -9.090 648 2HG1 VAL 94 2HG1 VAL 94 1.280 -3.403 -9.668 649 3HG1 VAL 94 3HG1 VAL 94 2.910 -3.781 -10.225 650 1HG2 VAL 94 1HG2 VAL 94 2.031 -4.483 -6.137 651 2HG2 VAL 94 2HG2 VAL 94 0.745 -3.816 -7.142 652 3HG2 VAL 94 3HG2 VAL 94 2.176 -2.848 -6.785 653 H LEU 95 H LEU 95 1.282 -6.676 -6.349 654 HA LEU 95 HA LEU 95 3.957 -7.581 -6.054 655 1HB LEU 95 2HB LEU 95 3.644 -7.559 -3.598 656 2HB LEU 95 1HB LEU 95 3.511 -6.040 -4.457 657 HG LEU 95 HG LEU 95 1.043 -6.381 -4.383 658 1HD1 LEU 95 1HD1 LEU 95 0.916 -8.677 -3.717 659 2HD1 LEU 95 2HD1 LEU 95 0.093 -7.643 -2.570 660 3HD1 LEU 95 3HD1 LEU 95 1.686 -8.306 -2.171 661 1HD2 LEU 95 1HD2 LEU 95 2.561 -5.805 -1.884 662 2HD2 LEU 95 2HD2 LEU 95 0.871 -5.381 -2.168 663 3HD2 LEU 95 3HD2 LEU 95 2.142 -4.677 -3.171 664 H SER 96 H SER 96 0.945 -9.011 -6.144 665 HA SER 96 HA SER 96 2.423 -11.155 -5.093 666 1HB SER 96 2HB SER 96 -0.555 -11.025 -5.635 667 2HB SER 96 1HB SER 96 0.254 -12.467 -5.019 668 HG SER 96 HG SER 96 -0.650 -11.122 -3.400 669 H GLY 97 H GLY 97 1.569 -9.767 -8.155 670 1HA GLY 97 2HA GLY 97 2.325 -12.295 -9.384 671 2HA GLY 97 1HA GLY 97 0.915 -11.422 -9.943 672 H LYS 98 H LYS 98 3.167 -8.956 -9.184 673 HA LYS 98 HA LYS 98 3.786 -9.033 -12.069 674 1HB LYS 98 2HB LYS 98 2.522 -7.031 -11.053 675 2HB LYS 98 1HB LYS 98 4.015 -6.633 -10.269 676 1HG LYS 98 2HG LYS 98 3.776 -6.798 -13.274 677 2HG LYS 98 1HG LYS 98 3.481 -5.325 -12.365 678 1HD LYS 98 2HD LYS 98 5.813 -5.426 -11.522 679 2HD LYS 98 1HD LYS 98 6.083 -6.868 -12.501 680 1HE LYS 98 2HE LYS 98 5.566 -5.586 -14.528 681 2HE LYS 98 1HE LYS 98 5.302 -4.149 -13.547 682 1HZ LYS 98 1HZ LYS 98 7.901 -5.594 -13.849 683 2HZ LYS 98 2HZ LYS 98 7.651 -4.258 -12.863 684 3HZ LYS 98 3HZ LYS 98 7.485 -4.106 -14.529 685 H ALA 99 H ALA 99 5.048 -7.984 -9.225 686 HA ALA 99 HA ALA 99 7.775 -8.210 -10.214 687 1HB ALA 99 1HB ALA 99 7.028 -6.134 -9.233 688 2HB ALA 99 2HB ALA 99 8.359 -6.830 -8.288 689 3HB ALA 99 3HB ALA 99 6.680 -6.957 -7.727 Start of MODEL 12 1 H GLY 15 H GLY 15 3.096 -11.106 -1.783 2 1HA GLY 15 1HA GLY 15 4.390 -13.198 -2.260 3 2HA GLY 15 2HA GLY 15 4.224 -12.800 -3.965 4 H LEU 16 H LEU 16 5.189 -11.153 -0.924 5 HA LEU 16 HA LEU 16 7.606 -10.455 -2.121 6 1HB LEU 16 2HB LEU 16 7.283 -8.005 -1.448 7 2HB LEU 16 1HB LEU 16 6.740 -8.566 -2.995 8 HG LEU 16 HG LEU 16 4.465 -8.224 -2.423 9 1HD1 LEU 16 1HD1 LEU 16 5.347 -7.814 0.430 10 2HD1 LEU 16 2HD1 LEU 16 4.501 -9.240 -0.195 11 3HD1 LEU 16 3HD1 LEU 16 3.703 -7.669 -0.204 12 1HD2 LEU 16 1HD2 LEU 16 6.140 -6.094 -1.147 13 2HD2 LEU 16 2HD2 LEU 16 4.467 -5.924 -1.681 14 3HD2 LEU 16 3HD2 LEU 16 5.741 -6.238 -2.858 15 H ARG 17 H ARG 17 8.785 -8.908 -0.490 16 HA ARG 17 HA ARG 17 8.742 -10.530 1.881 17 1HB ARG 17 2HB ARG 17 10.557 -8.198 1.411 18 2HB ARG 17 1HB ARG 17 10.801 -9.574 2.463 19 1HG ARG 17 2HG ARG 17 11.082 -10.988 0.486 20 2HG ARG 17 1HG ARG 17 10.938 -9.556 -0.541 21 1HD ARG 17 2HD ARG 17 13.083 -10.284 1.424 22 2HD ARG 17 1HD ARG 17 13.243 -9.787 -0.259 23 HE ARG 17 HE ARG 17 12.107 -7.679 1.253 24 1HH1 ARG 17 1HH1 ARG 17 15.282 -9.251 0.811 25 2HH1 ARG 17 2HH1 ARG 17 16.132 -7.875 1.357 26 1HH2 ARG 17 1HH2 ARG 17 13.254 -5.945 2.025 27 2HH2 ARG 17 2HH2 ARG 17 14.965 -5.949 2.090 28 H GLU 18 H GLU 18 8.031 -7.266 0.756 29 HA GLU 18 HA GLU 18 6.472 -6.895 3.137 30 1HB GLU 18 2HB GLU 18 7.544 -4.645 3.661 31 2HB GLU 18 1HB GLU 18 8.237 -6.102 4.419 32 1HG GLU 18 2HG GLU 18 9.332 -4.830 1.914 33 2HG GLU 18 1HG GLU 18 9.662 -4.123 3.489 34 H ILE 19 H ILE 19 4.865 -5.359 3.088 35 HA ILE 19 HA ILE 19 5.163 -3.157 1.196 36 HB ILE 19 HB ILE 19 2.742 -4.771 1.903 37 1HG1 ILE 19 2HG1 ILE 19 3.967 -5.076 -0.221 38 2HG1 ILE 19 1HG1 ILE 19 2.260 -4.699 -0.417 39 1HG2 ILE 19 1HG2 ILE 19 2.027 -2.573 2.619 40 2HG2 ILE 19 2HG2 ILE 19 1.188 -3.022 1.134 41 3HG2 ILE 19 3HG2 ILE 19 2.527 -1.876 1.076 42 1HD1 ILE 19 1HD1 ILE 19 2.840 -2.390 -0.936 43 2HD1 ILE 19 2HD1 ILE 19 3.615 -3.528 -2.040 44 3HD1 ILE 19 3HD1 ILE 19 4.550 -2.781 -0.742 45 H ARG 20 H ARG 20 5.194 -1.324 2.037 46 HA ARG 20 HA ARG 20 4.166 -0.922 4.744 47 1HB ARG 20 2HB ARG 20 6.795 0.156 3.694 48 2HB ARG 20 1HB ARG 20 6.086 0.551 5.255 49 1HG ARG 20 2HG ARG 20 6.284 -1.764 5.955 50 2HG ARG 20 1HG ARG 20 6.924 -2.201 4.373 51 1HD ARG 20 2HD ARG 20 8.829 -0.665 4.788 52 2HD ARG 20 1HD ARG 20 8.201 -0.399 6.419 53 HE ARG 20 HE ARG 20 8.343 -3.007 6.430 54 1HH1 ARG 20 1HH1 ARG 20 10.796 -0.669 5.293 55 2HH1 ARG 20 2HH1 ARG 20 12.076 -1.765 5.440 56 1HH2 ARG 20 1HH2 ARG 20 10.155 -4.510 6.634 57 2HH2 ARG 20 2HH2 ARG 20 11.695 -3.987 6.184 58 H ILE 21 H ILE 21 2.495 0.251 4.376 59 HA ILE 21 HA ILE 21 2.279 2.121 2.218 60 HB ILE 21 HB ILE 21 0.591 2.913 4.159 61 1HG1 ILE 21 2HG1 ILE 21 0.344 -0.088 4.048 62 2HG1 ILE 21 1HG1 ILE 21 1.080 0.810 5.374 63 1HG2 ILE 21 1HG2 ILE 21 0.030 2.843 1.787 64 2HG2 ILE 21 2HG2 ILE 21 -1.206 1.921 2.645 65 3HG2 ILE 21 3HG2 ILE 21 0.085 1.080 1.784 66 1HD1 ILE 21 1HD1 ILE 21 -1.762 1.005 4.444 67 2HD1 ILE 21 2HD1 ILE 21 -1.029 1.972 5.716 68 3HD1 ILE 21 3HD1 ILE 21 -1.190 0.221 5.924 69 H HIS 22 H HIS 22 3.120 3.996 2.287 70 HA HIS 22 HA HIS 22 3.793 5.170 4.898 71 1HB HIS 22 2HB HIS 22 4.485 6.150 2.093 72 2HB HIS 22 1HB HIS 22 5.015 6.906 3.586 73 HD1 HIS 22 1HD HIS 22 7.024 5.819 1.320 74 HD2 HIS 22 2HD HIS 22 5.992 3.835 4.858 75 HE1 HIS 22 1HE HIS 22 8.866 4.251 1.781 76 HE2 HIS 22 2HE HIS 22 8.401 3.350 4.058 77 H LEU 23 H LEU 23 2.283 6.449 5.748 78 HA LEU 23 HA LEU 23 0.112 7.288 3.998 79 1HB LEU 23 2HB LEU 23 -0.380 5.599 5.714 80 2HB LEU 23 1HB LEU 23 0.120 6.710 6.965 81 HG LEU 23 HG LEU 23 -1.795 8.152 6.485 82 1HD1 LEU 23 1HD1 LEU 23 -3.523 7.477 4.923 83 2HD1 LEU 23 2HD1 LEU 23 -2.530 6.114 4.408 84 3HD1 LEU 23 3HD1 LEU 23 -1.985 7.767 4.111 85 1HD2 LEU 23 1HD2 LEU 23 -2.067 6.351 8.097 86 2HD2 LEU 23 2HD2 LEU 23 -2.579 5.264 6.806 87 3HD2 LEU 23 3HD2 LEU 23 -3.570 6.660 7.232 88 H CYS 24 H CYS 24 -0.559 8.718 6.797 89 HA CYS 24 HA CYS 24 -0.674 10.745 7.669 90 1HB CYS 24 2HB CYS 24 1.572 11.538 5.800 91 2HB CYS 24 1HB CYS 24 0.825 12.619 6.965 92 H GLN 25 H GLN 25 -1.334 13.025 6.973 93 HA GLN 25 HA GLN 25 -2.269 13.137 4.242 94 1HB GLN 25 2HB GLN 25 -4.149 12.167 5.613 95 2HB GLN 25 1HB GLN 25 -4.131 13.610 6.603 96 1HG GLN 25 2HG GLN 25 -5.959 13.607 4.966 97 2HG GLN 25 1HG GLN 25 -4.854 14.956 4.724 98 1HE2 GLN 25 1HE2 GLN 25 -3.684 15.080 2.836 99 2HE2 GLN 25 2HE2 GLN 25 -3.908 14.042 1.511 100 H ARG 26 H ARG 26 -0.363 14.420 4.430 101 HA ARG 26 HA ARG 26 -0.777 17.053 5.697 102 1HB ARG 26 2HB ARG 26 1.660 17.394 5.529 103 2HB ARG 26 1HB ARG 26 1.248 15.966 6.463 104 1HG ARG 26 2HG ARG 26 1.898 14.522 4.676 105 2HG ARG 26 1HG ARG 26 2.069 15.885 3.568 106 1HD ARG 26 2HD ARG 26 4.248 15.130 4.328 107 2HD ARG 26 1HD ARG 26 3.913 16.748 4.931 108 HE ARG 26 HE ARG 26 3.134 14.872 6.866 109 1HH1 ARG 26 1HH1 ARG 26 6.095 16.234 5.425 110 2HH1 ARG 26 2HH1 ARG 26 7.079 15.845 6.744 111 1HH2 ARG 26 1HH2 ARG 26 4.529 14.413 8.742 112 2HH2 ARG 26 2HH2 ARG 26 6.159 14.870 8.693 113 H SER 27 H SER 27 -0.250 15.522 2.662 114 HA SER 27 HA SER 27 -0.057 18.109 1.291 115 1HB SER 27 2HB SER 27 1.667 16.067 1.154 116 2HB SER 27 1HB SER 27 0.458 15.365 0.095 117 HG SER 27 HG SER 27 1.378 17.968 -0.373 118 HA PRO 28 HA PRO 28 -4.063 17.511 -1.171 119 1HB PRO 28 2HB PRO 28 -2.515 15.537 -2.821 120 2HB PRO 28 1HB PRO 28 -3.839 16.609 -3.333 121 1HG PRO 28 2HG PRO 28 -1.316 17.312 -3.720 122 2HG PRO 28 1HG PRO 28 -2.511 18.506 -3.183 123 1HD PRO 28 2HD PRO 28 -0.253 17.335 -1.706 124 2HD PRO 28 1HD PRO 28 -1.171 18.816 -1.371 125 H GLY 29 H GLY 29 -5.834 16.207 -1.062 126 1HA GLY 29 2HA GLY 29 -5.997 14.218 0.847 127 2HA GLY 29 1HA GLY 29 -7.198 14.538 -0.397 128 H SER 30 H SER 30 -5.657 12.134 0.874 129 HA SER 30 HA SER 30 -5.106 10.832 -1.690 130 1HB SER 30 2HB SER 30 -3.910 10.198 0.981 131 2HB SER 30 1HB SER 30 -3.578 9.485 -0.619 132 HG SER 30 HG SER 30 -3.387 12.239 -0.467 133 H GLN 31 H GLN 31 -6.470 9.540 -2.209 134 HA GLN 31 HA GLN 31 -8.521 8.782 -0.266 135 1HB GLN 31 2HB GLN 31 -10.054 8.479 -2.190 136 2HB GLN 31 1HB GLN 31 -9.436 10.120 -2.057 137 1HG GLN 31 2HG GLN 31 -7.863 9.709 -3.833 138 2HG GLN 31 1HG GLN 31 -8.365 8.025 -3.923 139 1HE2 GLN 31 1HE2 GLN 31 -8.977 8.131 -5.970 140 2HE2 GLN 31 2HE2 GLN 31 -10.351 8.996 -6.562 141 H GLY 32 H GLY 32 -6.566 7.542 -2.892 142 1HA GLY 32 2HA GLY 32 -7.298 4.917 -2.851 143 2HA GLY 32 1HA GLY 32 -5.637 5.472 -3.094 144 H VAL 33 H VAL 33 -5.142 6.694 -0.755 145 HA VAL 33 HA VAL 33 -4.744 4.279 0.763 146 HB VAL 33 HB VAL 33 -3.627 5.688 2.587 147 1HG1 VAL 33 1HG1 VAL 33 -2.363 4.302 1.094 148 2HG1 VAL 33 2HG1 VAL 33 -1.515 5.824 1.374 149 3HG1 VAL 33 3HG1 VAL 33 -2.379 5.562 -0.139 150 1HG2 VAL 33 1HG2 VAL 33 -4.478 7.855 1.949 151 2HG2 VAL 33 2HG2 VAL 33 -3.661 7.736 0.390 152 3HG2 VAL 33 3HG2 VAL 33 -2.717 7.840 1.878 153 H ARG 34 H ARG 34 -6.246 7.332 1.650 154 HA ARG 34 HA ARG 34 -7.362 6.904 4.038 155 1HB ARG 34 2HB ARG 34 -7.693 8.746 2.226 156 2HB ARG 34 1HB ARG 34 -9.097 7.823 1.828 157 1HG ARG 34 2HG ARG 34 -10.106 8.110 3.930 158 2HG ARG 34 1HG ARG 34 -8.637 8.822 4.610 159 1HD ARG 34 2HD ARG 34 -8.834 10.680 3.002 160 2HD ARG 34 1HD ARG 34 -10.349 9.986 2.425 161 HE ARG 34 HE ARG 34 -11.031 10.207 4.855 162 1HH1 ARG 34 1HH1 ARG 34 -8.969 12.537 3.112 163 2HH1 ARG 34 2HH1 ARG 34 -9.373 13.847 4.096 164 1HH2 ARG 34 1HH2 ARG 34 -11.565 12.044 6.225 165 2HH2 ARG 34 2HH2 ARG 34 -10.919 13.576 5.890 166 H ASP 35 H ASP 35 -8.957 5.922 1.016 167 HA ASP 35 HA ASP 35 -11.082 4.548 2.306 168 1HB ASP 35 2HB ASP 35 -9.933 4.463 -0.451 169 2HB ASP 35 1HB ASP 35 -11.255 3.412 -0.057 170 H PHE 36 H PHE 36 -8.052 3.420 0.847 171 HA PHE 36 HA PHE 36 -8.397 0.782 1.537 172 1HB PHE 36 2HB PHE 36 -6.601 1.150 0.133 173 2HB PHE 36 1HB PHE 36 -6.155 2.623 0.898 174 HD1 PHE 36 1HD PHE 36 -4.909 -0.236 -0.164 175 HD2 PHE 36 2HD PHE 36 -5.270 1.754 3.584 176 HE1 PHE 36 1HE PHE 36 -2.908 -1.401 0.636 177 HE2 PHE 36 2HE PHE 36 -3.281 0.568 4.387 178 HZ PHE 36 HZ PHE 36 -2.091 -1.002 2.918 179 H ILE 37 H ILE 37 -6.918 3.242 3.337 180 HA ILE 37 HA ILE 37 -6.147 1.881 5.707 181 HB ILE 37 HB ILE 37 -7.211 4.631 5.697 182 1HG1 ILE 37 2HG1 ILE 37 -5.604 4.992 3.971 183 2HG1 ILE 37 1HG1 ILE 37 -4.875 5.548 5.436 184 1HG2 ILE 37 1HG2 ILE 37 -5.112 3.408 7.465 185 2HG2 ILE 37 2HG2 ILE 37 -6.743 3.907 7.909 186 3HG2 ILE 37 3HG2 ILE 37 -5.530 5.121 7.497 187 1HD1 ILE 37 1HD1 ILE 37 -3.383 4.395 4.002 188 2HD1 ILE 37 2HD1 ILE 37 -4.289 2.891 4.213 189 3HD1 ILE 37 3HD1 ILE 37 -3.459 3.643 5.601 190 H GLU 38 H GLU 38 -9.269 2.980 4.692 191 HA GLU 38 HA GLU 38 -10.340 3.136 7.454 192 1HB GLU 38 2HB GLU 38 -10.508 5.131 6.035 193 2HB GLU 38 1HB GLU 38 -11.408 4.212 4.851 194 1HG GLU 38 2HG GLU 38 -12.892 5.531 6.014 195 2HG GLU 38 1HG GLU 38 -13.174 3.879 6.556 196 H LYS 39 H LYS 39 -11.301 2.153 4.226 197 HA LYS 39 HA LYS 39 -13.570 0.652 5.206 198 1HB LYS 39 2HB LYS 39 -12.450 1.063 2.456 199 2HB LYS 39 1HB LYS 39 -14.018 0.358 2.827 200 1HG LYS 39 2HG LYS 39 -14.731 2.517 3.776 201 2HG LYS 39 1HG LYS 39 -13.155 3.197 3.362 202 1HD LYS 39 2HD LYS 39 -13.575 2.756 1.000 203 2HD LYS 39 1HD LYS 39 -15.127 2.027 1.403 204 1HE LYS 39 2HE LYS 39 -14.339 4.887 1.930 205 2HE LYS 39 1HE LYS 39 -15.349 4.340 0.595 206 1HZ LYS 39 1HZ LYS 39 -16.050 4.037 3.486 207 2HZ LYS 39 2HZ LYS 39 -17.006 3.591 2.178 208 3HZ LYS 39 3HZ LYS 39 -16.671 5.209 2.448 209 H ARG 40 H ARG 40 -10.332 0.178 3.982 210 HA ARG 40 HA ARG 40 -11.033 -2.593 3.420 211 1HB ARG 40 2HB ARG 40 -10.618 -1.150 1.505 212 2HB ARG 40 1HB ARG 40 -9.034 -0.769 2.134 213 1HG ARG 40 2HG ARG 40 -8.716 -2.308 0.408 214 2HG ARG 40 1HG ARG 40 -8.493 -3.177 1.925 215 1HD ARG 40 2HD ARG 40 -10.590 -4.272 1.714 216 2HD ARG 40 1HD ARG 40 -11.094 -3.202 0.399 217 HE ARG 40 HE ARG 40 -9.002 -4.259 -0.737 218 1HH1 ARG 40 1HH1 ARG 40 -11.562 -5.947 1.057 219 2HH1 ARG 40 2HH1 ARG 40 -11.257 -7.453 0.364 220 1HH2 ARG 40 1HH2 ARG 40 -8.616 -6.352 -1.761 221 2HH2 ARG 40 2HH2 ARG 40 -9.522 -7.690 -1.297 222 H TYR 41 H TYR 41 -8.793 -0.522 5.221 223 HA TYR 41 HA TYR 41 -6.417 -1.837 5.277 224 1HB TYR 41 2HB TYR 41 -7.003 0.138 6.819 225 2HB TYR 41 1HB TYR 41 -7.591 -1.072 7.907 226 HD1 TYR 41 1HD TYR 41 -4.442 -0.207 6.107 227 HD2 TYR 41 2HD TYR 41 -6.237 -2.209 9.403 228 HE1 TYR 41 1HE TYR 41 -2.208 -0.755 6.994 229 HE2 TYR 41 2HE TYR 41 -4.034 -2.748 10.298 230 HH TYR 41 HH TYR 41 -1.206 -1.301 9.180 231 H VAL 42 H VAL 42 -8.493 -2.830 7.896 232 HA VAL 42 HA VAL 42 -6.819 -5.017 8.399 233 HB VAL 42 HB VAL 42 -7.962 -4.188 10.241 234 1HG1 VAL 42 1HG1 VAL 42 -10.375 -3.806 10.353 235 2HG1 VAL 42 2HG1 VAL 42 -10.506 -4.373 8.672 236 3HG1 VAL 42 3HG1 VAL 42 -9.557 -2.935 9.045 237 1HG2 VAL 42 1HG2 VAL 42 -7.972 -6.627 10.331 238 2HG2 VAL 42 2HG2 VAL 42 -9.507 -6.670 9.464 239 3HG2 VAL 42 3HG2 VAL 42 -9.432 -5.990 11.090 240 H GLU 43 H GLU 43 -9.593 -4.642 6.389 241 HA GLU 43 HA GLU 43 -9.931 -7.455 5.750 242 1HB GLU 43 2HB GLU 43 -11.754 -5.752 5.492 243 2HB GLU 43 1HB GLU 43 -10.790 -4.953 4.262 244 1HG GLU 43 2HG GLU 43 -10.929 -6.921 2.856 245 2HG GLU 43 1HG GLU 43 -11.840 -7.765 4.105 246 H LEU 44 H LEU 44 -7.740 -4.893 4.506 247 HA LEU 44 HA LEU 44 -7.185 -6.698 2.321 248 1HB LEU 44 2HB LEU 44 -5.661 -5.006 1.545 249 2HB LEU 44 1HB LEU 44 -7.201 -4.285 1.939 250 HG LEU 44 HG LEU 44 -5.841 -3.834 4.235 251 1HD1 LEU 44 1HD1 LEU 44 -3.799 -4.784 3.451 252 2HD1 LEU 44 2HD1 LEU 44 -3.624 -3.039 3.659 253 3HD1 LEU 44 3HD1 LEU 44 -3.814 -3.726 2.045 254 1HD2 LEU 44 1HD2 LEU 44 -5.834 -2.138 1.774 255 2HD2 LEU 44 2HD2 LEU 44 -5.534 -1.585 3.422 256 3HD2 LEU 44 3HD2 LEU 44 -7.115 -2.232 2.979 257 H LYS 45 H LYS 45 -6.070 -5.919 5.408 258 HA LYS 45 HA LYS 45 -3.555 -7.157 5.275 259 1HB LYS 45 2HB LYS 45 -4.413 -5.569 7.063 260 2HB LYS 45 1HB LYS 45 -5.342 -6.914 7.700 261 1HG LYS 45 2HG LYS 45 -3.317 -8.134 8.191 262 2HG LYS 45 1HG LYS 45 -2.343 -6.869 7.436 263 1HD LYS 45 2HD LYS 45 -3.240 -5.260 9.110 264 2HD LYS 45 1HD LYS 45 -4.054 -6.604 9.908 265 1HE LYS 45 2HE LYS 45 -1.967 -6.087 11.037 266 2HE LYS 45 1HE LYS 45 -1.879 -7.680 10.291 267 1HZ LYS 45 1HZ LYS 45 -0.615 -6.736 8.472 268 2HZ LYS 45 2HZ LYS 45 0.162 -6.432 9.903 269 3HZ LYS 45 3HZ LYS 45 -0.686 -5.188 9.138 270 H LYS 46 H LYS 46 -6.815 -8.299 6.024 271 HA LYS 46 HA LYS 46 -5.874 -11.016 6.363 272 1HB LYS 46 2HB LYS 46 -8.123 -11.585 6.812 273 2HB LYS 46 1HB LYS 46 -7.847 -10.031 7.574 274 1HG LYS 46 2HG LYS 46 -8.906 -9.206 5.185 275 2HG LYS 46 1HG LYS 46 -9.551 -10.711 5.222 276 1HD LYS 46 2HD LYS 46 -10.500 -10.616 7.436 277 2HD LYS 46 1HD LYS 46 -9.919 -8.962 7.612 278 1HE LYS 46 2HE LYS 46 -11.318 -8.263 5.752 279 2HE LYS 46 1HE LYS 46 -11.878 -9.922 5.537 280 1HZ LYS 46 1HZ LYS 46 -13.397 -8.429 6.825 281 2HZ LYS 46 2HZ LYS 46 -12.247 -8.437 8.082 282 3HZ LYS 46 3HZ LYS 46 -12.975 -9.873 7.583 283 H ALA 47 H ALA 47 -6.986 -8.976 3.808 284 HA ALA 47 HA ALA 47 -8.169 -10.820 2.340 285 1HB ALA 47 1HB ALA 47 -7.967 -9.305 0.343 286 2HB ALA 47 2HB ALA 47 -6.834 -8.341 1.279 287 3HB ALA 47 3HB ALA 47 -8.511 -8.493 1.819 288 H ASN 48 H ASN 48 -4.887 -9.522 2.355 289 HA ASN 48 HA ASN 48 -3.902 -11.533 0.519 290 1HB ASN 48 2HB ASN 48 -2.842 -8.663 0.772 291 2HB ASN 48 1HB ASN 48 -2.231 -9.908 -0.278 292 1HD2 ASN 48 1HD2 ASN 48 -3.128 -7.199 -0.962 293 2HD2 ASN 48 2HD2 ASN 48 -4.358 -7.343 -2.135 294 HA PRO 49 HA PRO 49 -2.011 -11.928 4.740 295 1HB PRO 49 2HB PRO 49 -1.977 -14.617 4.723 296 2HB PRO 49 1HB PRO 49 -3.480 -13.730 5.042 297 1HG PRO 49 2HG PRO 49 -2.463 -14.801 2.435 298 2HG PRO 49 1HG PRO 49 -4.025 -15.142 3.145 299 1HD PRO 49 2HD PRO 49 -3.776 -13.276 1.294 300 2HD PRO 49 1HD PRO 49 -4.789 -12.863 2.683 301 H ASP 50 H ASP 50 -1.397 -13.381 1.842 302 HA ASP 50 HA ASP 50 1.421 -14.010 2.118 303 1HB ASP 50 2HB ASP 50 0.070 -15.139 0.426 304 2HB ASP 50 1HB ASP 50 -0.302 -13.615 -0.350 305 H LEU 51 H LEU 51 -0.002 -11.140 2.259 306 HA LEU 51 HA LEU 51 2.126 -9.629 0.940 307 1HB LEU 51 2HB LEU 51 -0.230 -9.546 0.046 308 2HB LEU 51 1HB LEU 51 -0.749 -8.792 1.517 309 HG LEU 51 HG LEU 51 1.011 -7.683 -0.659 310 1HD1 LEU 51 1HD1 LEU 51 -1.628 -6.822 0.410 311 2HD1 LEU 51 2HD1 LEU 51 -1.307 -7.631 -1.124 312 3HD1 LEU 51 3HD1 LEU 51 -0.699 -6.000 -0.842 313 1HD2 LEU 51 1HD2 LEU 51 1.930 -6.918 1.450 314 2HD2 LEU 51 2HD2 LEU 51 0.329 -6.372 1.948 315 3HD2 LEU 51 3HD2 LEU 51 1.140 -5.605 0.580 316 HA PRO 52 HA PRO 52 2.917 -8.458 5.469 317 1HB PRO 52 2HB PRO 52 4.793 -6.875 3.871 318 2HB PRO 52 1HB PRO 52 5.030 -7.717 5.397 319 1HG PRO 52 2HG PRO 52 5.952 -8.667 3.064 320 2HG PRO 52 1HG PRO 52 5.346 -9.767 4.299 321 1HD PRO 52 2HD PRO 52 4.123 -8.908 1.733 322 2HD PRO 52 1HD PRO 52 3.883 -10.414 2.639 323 H ILE 53 H ILE 53 1.971 -6.765 6.307 324 HA ILE 53 HA ILE 53 1.507 -4.371 4.653 325 HB ILE 53 HB ILE 53 -0.722 -5.800 6.170 326 1HG1 ILE 53 2HG1 ILE 53 -0.381 -5.253 3.220 327 2HG1 ILE 53 1HG1 ILE 53 0.050 -6.765 3.995 328 1HG2 ILE 53 1HG2 ILE 53 -1.002 -3.360 6.332 329 2HG2 ILE 53 2HG2 ILE 53 -2.226 -4.074 5.283 330 3HG2 ILE 53 3HG2 ILE 53 -0.853 -3.226 4.577 331 1HD1 ILE 53 1HD1 ILE 53 -2.706 -5.584 3.806 332 2HD1 ILE 53 2HD1 ILE 53 -2.286 -7.106 4.585 333 3HD1 ILE 53 3HD1 ILE 53 -2.064 -6.912 2.850 334 H LEU 54 H LEU 54 2.844 -3.110 5.724 335 HA LEU 54 HA LEU 54 2.313 -2.625 8.575 336 1HB LEU 54 2HB LEU 54 4.812 -2.043 6.958 337 2HB LEU 54 1HB LEU 54 4.574 -1.547 8.613 338 HG LEU 54 HG LEU 54 6.014 -3.382 8.681 339 1HD1 LEU 54 1HD1 LEU 54 4.391 -3.464 10.411 340 2HD1 LEU 54 2HD1 LEU 54 4.812 -5.102 9.913 341 3HD1 LEU 54 3HD1 LEU 54 3.286 -4.387 9.393 342 1HD2 LEU 54 1HD2 LEU 54 5.688 -4.299 6.447 343 2HD2 LEU 54 2HD2 LEU 54 4.109 -4.927 6.914 344 3HD2 LEU 54 3HD2 LEU 54 5.570 -5.578 7.658 345 H ILE 55 H ILE 55 1.558 -0.666 9.139 346 HA ILE 55 HA ILE 55 1.044 1.298 7.036 347 HB ILE 55 HB ILE 55 -0.761 0.313 8.584 348 1HG1 ILE 55 2HG1 ILE 55 -1.323 2.374 7.383 349 2HG1 ILE 55 1HG1 ILE 55 -2.036 2.371 8.976 350 1HG2 ILE 55 1HG2 ILE 55 0.516 1.920 10.743 351 2HG2 ILE 55 2HG2 ILE 55 0.325 0.168 10.651 352 3HG2 ILE 55 3HG2 ILE 55 -1.094 1.201 10.827 353 1HD1 ILE 55 1HD1 ILE 55 -1.228 4.517 8.338 354 2HD1 ILE 55 2HD1 ILE 55 0.412 3.875 8.151 355 3HD1 ILE 55 3HD1 ILE 55 -0.357 3.912 9.753 356 H ARG 56 H ARG 56 2.412 2.856 6.847 357 HA ARG 56 HA ARG 56 4.221 3.565 9.057 358 1HB ARG 56 2HB ARG 56 4.900 3.370 6.129 359 2HB ARG 56 1HB ARG 56 5.980 3.927 7.387 360 1HG ARG 56 2HG ARG 56 4.787 1.157 7.388 361 2HG ARG 56 1HG ARG 56 6.338 1.539 6.652 362 1HD ARG 56 2HD ARG 56 6.669 0.614 8.878 363 2HD ARG 56 1HD ARG 56 7.175 2.295 8.846 364 HE ARG 56 HE ARG 56 4.476 2.011 9.745 365 1HH1 ARG 56 1HH1 ARG 56 7.771 1.413 10.921 366 2HH1 ARG 56 2HH1 ARG 56 7.468 2.005 12.486 367 1HH2 ARG 56 1HH2 ARG 56 4.032 2.741 11.905 368 2HH2 ARG 56 2HH2 ARG 56 5.257 2.727 13.083 369 H GLU 57 H GLU 57 5.469 5.623 8.405 370 HA GLU 57 HA GLU 57 3.405 7.643 8.233 371 1HB GLU 57 2HB GLU 57 6.264 7.811 9.122 372 2HB GLU 57 1HB GLU 57 5.145 9.168 9.091 373 1HG GLU 57 2HG GLU 57 3.705 8.028 10.669 374 2HG GLU 57 1HG GLU 57 4.811 6.653 10.689 375 H CYS 58 H CYS 58 4.056 9.733 7.343 376 HA CYS 58 HA CYS 58 4.402 9.595 4.578 377 1HB CYS 58 2HB CYS 58 4.554 12.174 5.021 378 2HB CYS 58 1HB CYS 58 3.043 11.285 5.247 379 H SER 59 H SER 59 6.484 8.638 4.196 380 HA SER 59 HA SER 59 8.897 9.799 4.911 381 1HB SER 59 2HB SER 59 8.261 8.355 2.347 382 2HB SER 59 1HB SER 59 9.782 8.359 3.251 383 HG SER 59 HG SER 59 8.854 7.185 4.850 384 H ASP 60 H ASP 60 6.586 10.458 2.228 385 HA ASP 60 HA ASP 60 7.845 12.928 1.670 386 1HB ASP 60 2HB ASP 60 7.957 12.392 -0.756 387 2HB ASP 60 1HB ASP 60 9.031 11.347 0.165 388 H VAL 61 H VAL 61 6.227 13.107 -0.727 389 HA VAL 61 HA VAL 61 4.338 14.659 -0.183 390 HB VAL 61 HB VAL 61 4.798 13.980 -2.396 391 1HG1 VAL 61 1HG1 VAL 61 3.250 11.479 -2.011 392 2HG1 VAL 61 2HG1 VAL 61 4.975 11.650 -2.335 393 3HG1 VAL 61 3HG1 VAL 61 3.799 12.105 -3.567 394 1HG2 VAL 61 1HG2 VAL 61 2.548 14.144 -3.431 395 2HG2 VAL 61 2HG2 VAL 61 2.789 15.295 -2.120 396 3HG2 VAL 61 3HG2 VAL 61 1.838 13.838 -1.849 397 H GLN 62 H GLN 62 3.290 11.525 -0.484 398 HA GLN 62 HA GLN 62 1.357 11.780 1.641 399 1HB GLN 62 2HB GLN 62 0.441 12.743 -0.910 400 2HB GLN 62 1HB GLN 62 -0.652 11.541 -0.263 401 1HG GLN 62 2HG GLN 62 0.171 14.144 0.939 402 2HG GLN 62 1HG GLN 62 -1.436 13.638 0.412 403 1HE2 GLN 62 1HE2 GLN 62 -2.406 11.914 1.558 404 2HE2 GLN 62 2HE2 GLN 62 -2.038 11.675 3.237 405 HA PRO 63 HA PRO 63 -0.128 7.594 0.709 406 1HB PRO 63 2HB PRO 63 -1.405 7.067 -1.587 407 2HB PRO 63 1HB PRO 63 -2.037 8.231 -0.417 408 1HG PRO 63 2HG PRO 63 -1.000 8.736 -3.087 409 2HG PRO 63 1HG PRO 63 -1.788 9.868 -1.979 410 1HD PRO 63 2HD PRO 63 1.102 9.365 -2.427 411 2HD PRO 63 1HD PRO 63 0.290 10.825 -1.809 412 H LYS 64 H LYS 64 2.147 6.736 0.585 413 HA LYS 64 HA LYS 64 2.882 5.887 -2.168 414 1HB LYS 64 2HB LYS 64 4.740 6.196 0.219 415 2HB LYS 64 1HB LYS 64 5.209 5.663 -1.378 416 1HG LYS 64 2HG LYS 64 5.938 7.858 -1.005 417 2HG LYS 64 1HG LYS 64 4.664 7.945 -2.240 418 1HD LYS 64 2HD LYS 64 4.368 9.797 -0.640 419 2HD LYS 64 1HD LYS 64 3.115 8.571 -0.468 420 1HE LYS 64 2HE LYS 64 4.298 7.594 1.443 421 2HE LYS 64 1HE LYS 64 5.611 8.743 1.238 422 1HZ LYS 64 1HZ LYS 64 4.102 10.534 1.902 423 2HZ LYS 64 2HZ LYS 64 4.029 9.298 3.071 424 3HZ LYS 64 3HZ LYS 64 2.820 9.446 1.961 425 H LEU 65 H LEU 65 3.406 3.918 -2.610 426 HA LEU 65 HA LEU 65 2.650 1.864 -0.676 427 1HB LEU 65 2HB LEU 65 1.901 2.217 -3.184 428 2HB LEU 65 1HB LEU 65 3.428 1.546 -3.486 429 HG LEU 65 HG LEU 65 3.044 -0.542 -2.453 430 1HD1 LEU 65 1HD1 LEU 65 1.735 0.204 -0.544 431 2HD1 LEU 65 2HD1 LEU 65 0.931 -1.127 -1.376 432 3HD1 LEU 65 3HD1 LEU 65 0.359 0.525 -1.599 433 1HD2 LEU 65 1HD2 LEU 65 0.647 0.220 -4.115 434 2HD2 LEU 65 2HD2 LEU 65 1.206 -1.421 -3.813 435 3HD2 LEU 65 3HD2 LEU 65 2.211 -0.305 -4.742 436 H TRP 66 H TRP 66 4.630 1.555 0.539 437 HA TRP 66 HA TRP 66 6.882 1.394 -1.118 438 1HB TRP 66 2HB TRP 66 7.500 2.303 0.998 439 2HB TRP 66 1HB TRP 66 6.599 1.077 1.888 440 HD1 TRP 66 HD TRP 66 8.026 -0.919 2.810 441 HE1 TRP 66 1HE TRP 66 10.395 -1.836 2.338 442 HE3 TRP 66 3HE TRP 66 9.281 2.128 -0.983 443 HZ2 TRP 66 2HZ TRP 66 12.518 -1.265 0.525 444 HZ3 TRP 66 3HZ TRP 66 11.434 1.908 -2.045 445 HH2 TRP 66 HH TRP 66 12.975 0.341 -1.391 446 H ALA 67 H ALA 67 7.396 -0.434 -2.059 447 HA ALA 67 HA ALA 67 6.509 -2.980 -0.927 448 1HB ALA 67 1HB ALA 67 5.278 -2.435 -2.950 449 2HB ALA 67 2HB ALA 67 6.359 -3.804 -3.214 450 3HB ALA 67 3HB ALA 67 6.795 -2.205 -3.821 451 H ARG 68 H ARG 68 8.116 -4.438 -0.625 452 HA ARG 68 HA ARG 68 10.463 -4.194 -2.251 453 1HB ARG 68 2HB ARG 68 10.800 -3.348 0.205 454 2HB ARG 68 1HB ARG 68 10.611 -5.042 0.643 455 1HG ARG 68 2HG ARG 68 12.883 -4.934 0.446 456 2HG ARG 68 1HG ARG 68 12.401 -5.390 -1.202 457 1HD ARG 68 2HD ARG 68 12.494 -2.890 -1.805 458 2HD ARG 68 1HD ARG 68 13.106 -2.642 -0.203 459 HE ARG 68 HE ARG 68 14.684 -4.564 -1.505 460 1HH1 ARG 68 1HH1 ARG 68 14.120 -1.060 -1.311 461 2HH1 ARG 68 2HH1 ARG 68 15.617 -0.594 -1.942 462 1HH2 ARG 68 1HH2 ARG 68 16.839 -3.927 -2.346 463 2HH2 ARG 68 2HH2 ARG 68 17.210 -2.271 -2.508 464 H TYR 69 H TYR 69 9.863 -5.618 -3.329 465 HA TYR 69 HA TYR 69 8.286 -7.974 -2.672 466 1HB TYR 69 2HB TYR 69 9.817 -7.572 -5.253 467 2HB TYR 69 1HB TYR 69 8.397 -8.564 -4.991 468 HD1 TYR 69 1HD TYR 69 6.184 -7.380 -4.622 469 HD2 TYR 69 2HD TYR 69 9.664 -5.344 -5.905 470 HE1 TYR 69 1HE TYR 69 4.797 -5.565 -5.477 471 HE2 TYR 69 2HE TYR 69 8.297 -3.498 -6.769 472 HH TYR 69 HH TYR 69 6.001 -3.128 -7.554 473 H ALA 70 H ALA 70 9.015 -10.243 -3.054 474 HA ALA 70 HA ALA 70 11.872 -10.680 -2.460 475 1HB ALA 70 1HB ALA 70 11.239 -12.996 -2.046 476 2HB ALA 70 2HB ALA 70 9.618 -12.698 -2.674 477 3HB ALA 70 3HB ALA 70 10.129 -11.952 -1.160 478 H PHE 71 H PHE 71 10.163 -10.140 -5.048 479 HA PHE 71 HA PHE 71 11.742 -11.739 -6.835 480 1HB PHE 71 2HB PHE 71 10.359 -9.083 -7.350 481 2HB PHE 71 1HB PHE 71 10.886 -10.239 -8.563 482 HD1 PHE 71 1HD PHE 71 8.114 -8.974 -6.998 483 HD2 PHE 71 2HD PHE 71 9.839 -12.712 -8.059 484 HE1 PHE 71 1HE PHE 71 5.892 -10.015 -6.920 485 HE2 PHE 71 2HE PHE 71 7.619 -13.762 -7.985 486 HZ PHE 71 HZ PHE 71 5.643 -12.412 -7.416 487 H GLY 72 H GLY 72 12.208 -9.324 -4.665 488 1HA GLY 72 2HA GLY 72 13.917 -8.162 -3.991 489 2HA GLY 72 1HA GLY 72 14.894 -8.945 -5.209 490 H GLN 73 H GLN 73 12.088 -6.908 -5.210 491 HA GLN 73 HA GLN 73 13.396 -4.812 -6.765 492 1HB GLN 73 2HB GLN 73 10.719 -6.138 -7.308 493 2HB GLN 73 1HB GLN 73 11.137 -4.579 -7.969 494 1HG GLN 73 2HG GLN 73 12.969 -5.536 -9.196 495 2HG GLN 73 1HG GLN 73 12.679 -7.109 -8.449 496 1HE2 GLN 73 1HE2 GLN 73 11.057 -8.372 -9.185 497 2HE2 GLN 73 2HE2 GLN 73 10.059 -7.987 -10.524 498 H GLU 74 H GLU 74 12.147 -2.707 -6.487 499 HA GLU 74 HA GLU 74 10.524 -2.739 -4.084 500 1HB GLU 74 2HB GLU 74 11.785 -1.071 -2.983 501 2HB GLU 74 1HB GLU 74 12.922 -2.314 -3.465 502 1HG GLU 74 2HG GLU 74 12.467 0.295 -4.868 503 2HG GLU 74 1HG GLU 74 13.796 -0.028 -3.756 504 H THR 75 H THR 75 9.564 -0.598 -3.711 505 HA THR 75 HA THR 75 9.745 1.503 -5.513 506 HB THR 75 HB THR 75 8.363 -0.061 -6.971 507 HG1 THR 75 1HG THR 75 7.103 1.575 -7.661 508 1HG2 THR 75 1HG2 THR 75 6.253 0.331 -4.827 509 2HG2 THR 75 2HG2 THR 75 7.081 -1.181 -5.177 510 3HG2 THR 75 3HG2 THR 75 6.007 -0.468 -6.381 511 H ASN 76 H ASN 76 8.514 3.293 -4.663 512 HA ASN 76 HA ASN 76 6.864 2.775 -2.373 513 1HB ASN 76 2HB ASN 76 7.987 4.709 -1.073 514 2HB ASN 76 1HB ASN 76 8.848 3.186 -1.106 515 1HD2 ASN 76 1HD2 ASN 76 10.981 3.085 -2.137 516 2HD2 ASN 76 2HD2 ASN 76 11.697 4.536 -2.677 517 H VAL 77 H VAL 77 5.103 3.372 -3.329 518 HA VAL 77 HA VAL 77 5.367 5.960 -4.690 519 HB VAL 77 HB VAL 77 5.925 4.711 -6.085 520 1HG1 VAL 77 1HG1 VAL 77 4.531 2.702 -7.165 521 2HG1 VAL 77 2HG1 VAL 77 3.408 2.965 -5.829 522 3HG1 VAL 77 3HG1 VAL 77 5.067 2.465 -5.501 523 1HG2 VAL 77 1HG2 VAL 77 3.135 5.437 -6.940 524 2HG2 VAL 77 2HG2 VAL 77 4.323 4.886 -8.120 525 3HG2 VAL 77 3HG2 VAL 77 4.629 6.345 -7.172 526 HA PRO 78 HA PRO 78 1.557 7.661 -3.440 527 1HB PRO 78 2HB PRO 78 2.229 9.181 -5.916 528 2HB PRO 78 1HB PRO 78 1.774 9.783 -4.314 529 1HG PRO 78 2HG PRO 78 4.304 9.881 -5.086 530 2HG PRO 78 1HG PRO 78 3.889 9.413 -3.426 531 1HD PRO 78 2HD PRO 78 4.656 7.636 -5.732 532 2HD PRO 78 1HD PRO 78 5.155 7.446 -4.062 533 H LEU 79 H LEU 79 0.191 6.300 -3.735 534 HA LEU 79 HA LEU 79 -0.762 5.438 -6.333 535 1HB LEU 79 2HB LEU 79 -1.731 3.564 -4.939 536 2HB LEU 79 1HB LEU 79 0.005 3.865 -4.775 537 HG LEU 79 HG LEU 79 -0.234 4.858 -2.631 538 1HD1 LEU 79 1HD1 LEU 79 -2.500 5.792 -2.790 539 2HD1 LEU 79 2HD1 LEU 79 -2.332 4.760 -1.370 540 3HD1 LEU 79 3HD1 LEU 79 -3.172 4.161 -2.800 541 1HD2 LEU 79 1HD2 LEU 79 -0.851 2.851 -1.386 542 2HD2 LEU 79 2HD2 LEU 79 0.152 2.488 -2.793 543 3HD2 LEU 79 3HD2 LEU 79 -1.587 2.184 -2.842 544 H ASN 80 H ASN 80 -1.204 8.017 -5.144 545 HA ASN 80 HA ASN 80 -3.542 8.603 -3.828 546 1HB ASN 80 2HB ASN 80 -1.752 10.231 -4.296 547 2HB ASN 80 1HB ASN 80 -2.261 10.285 -5.976 548 1HD2 ASN 80 1HD2 ASN 80 -2.885 11.377 -2.758 549 2HD2 ASN 80 2HD2 ASN 80 -4.198 12.418 -3.154 550 H ASN 81 H ASN 81 -3.170 8.069 -7.142 551 HA ASN 81 HA ASN 81 -5.676 9.174 -7.975 552 1HB ASN 81 2HB ASN 81 -5.270 8.438 -10.188 553 2HB ASN 81 1HB ASN 81 -3.713 8.882 -9.519 554 1HD2 ASN 81 1HD2 ASN 81 -2.184 7.266 -9.167 555 2HD2 ASN 81 2HD2 ASN 81 -2.321 5.699 -9.885 556 H PHE 82 H PHE 82 -5.007 6.093 -6.629 557 HA PHE 82 HA PHE 82 -7.342 4.859 -7.859 558 1HB PHE 82 2HB PHE 82 -5.360 3.805 -5.837 559 2HB PHE 82 1HB PHE 82 -6.671 2.880 -6.546 560 HD1 PHE 82 1HD PHE 82 -6.592 2.385 -9.007 561 HD2 PHE 82 2HD PHE 82 -3.289 4.013 -6.881 562 HE1 PHE 82 1HE PHE 82 -5.078 1.619 -10.782 563 HE2 PHE 82 2HE PHE 82 -1.769 3.258 -8.655 564 HZ PHE 82 HZ PHE 82 -2.662 2.054 -10.610 565 H SER 83 H SER 83 -8.067 3.277 -5.758 566 HA SER 83 HA SER 83 -8.930 4.913 -3.558 567 1HB SER 83 2HB SER 83 -10.711 5.126 -5.318 568 2HB SER 83 1HB SER 83 -10.866 3.377 -5.342 569 HG SER 83 HG SER 83 -11.427 5.057 -3.072 570 H ALA 84 H ALA 84 -10.458 3.063 -2.286 571 HA ALA 84 HA ALA 84 -8.628 1.581 -0.945 572 1HB ALA 84 1HB ALA 84 -11.563 0.985 -1.197 573 2HB ALA 84 2HB ALA 84 -10.750 2.120 -0.100 574 3HB ALA 84 3HB ALA 84 -10.484 0.386 0.079 575 H ASP 85 H ASP 85 -11.073 0.155 -3.144 576 HA ASP 85 HA ASP 85 -10.045 -2.487 -3.100 577 1HB ASP 85 2HB ASP 85 -11.835 -1.136 -5.116 578 2HB ASP 85 1HB ASP 85 -11.388 -2.832 -5.214 579 H GLN 86 H GLN 86 -9.775 0.045 -5.479 580 HA GLN 86 HA GLN 86 -8.066 -1.273 -7.343 581 1HB GLN 86 2HB GLN 86 -8.486 1.642 -6.704 582 2HB GLN 86 1HB GLN 86 -7.423 1.075 -7.984 583 1HG GLN 86 2HG GLN 86 -10.344 0.399 -7.826 584 2HG GLN 86 1HG GLN 86 -9.696 1.771 -8.728 585 1HE2 GLN 86 1HE2 GLN 86 -7.292 0.376 -9.518 586 2HE2 GLN 86 2HE2 GLN 86 -7.728 -0.742 -10.742 587 H VAL 87 H VAL 87 -7.090 0.629 -4.533 588 HA VAL 87 HA VAL 87 -4.442 0.118 -5.305 589 HB VAL 87 HB VAL 87 -3.723 0.725 -2.969 590 1HG1 VAL 87 1HG1 VAL 87 -5.584 2.664 -4.299 591 2HG1 VAL 87 2HG1 VAL 87 -3.880 2.414 -4.683 592 3HG1 VAL 87 3HG1 VAL 87 -4.347 3.067 -3.110 593 1HG2 VAL 87 1HG2 VAL 87 -6.650 1.212 -2.543 594 2HG2 VAL 87 2HG2 VAL 87 -5.336 1.680 -1.455 595 3HG2 VAL 87 3HG2 VAL 87 -5.664 -0.026 -1.763 596 H THR 88 H THR 88 -6.620 -1.637 -3.076 597 HA THR 88 HA THR 88 -4.534 -3.379 -2.382 598 HB THR 88 HB THR 88 -6.292 -4.875 -1.425 599 HG1 THR 88 1HG THR 88 -7.933 -3.681 -3.104 600 1HG2 THR 88 1HG2 THR 88 -6.427 -1.945 -0.811 601 2HG2 THR 88 2HG2 THR 88 -5.250 -3.100 -0.182 602 3HG2 THR 88 3HG2 THR 88 -6.953 -3.247 0.255 603 H ARG 89 H ARG 89 -6.636 -3.456 -4.958 604 HA ARG 89 HA ARG 89 -6.021 -6.176 -5.723 605 1HB ARG 89 2HB ARG 89 -8.162 -4.951 -6.364 606 2HB ARG 89 1HB ARG 89 -7.192 -4.018 -7.494 607 1HG ARG 89 2HG ARG 89 -8.310 -5.807 -8.655 608 2HG ARG 89 1HG ARG 89 -6.567 -6.111 -8.637 609 1HD ARG 89 2HD ARG 89 -6.845 -7.625 -6.748 610 2HD ARG 89 1HD ARG 89 -8.576 -7.309 -6.738 611 HE ARG 89 HE ARG 89 -7.683 -8.244 -9.263 612 1HH1 ARG 89 1HH1 ARG 89 -8.680 -9.300 -6.024 613 2HH1 ARG 89 2HH1 ARG 89 -8.909 -10.933 -6.484 614 1HH2 ARG 89 1HH2 ARG 89 -8.098 -10.455 -9.896 615 2HH2 ARG 89 2HH2 ARG 89 -8.661 -11.575 -8.752 616 H ALA 90 H ALA 90 -5.127 -2.928 -6.804 617 HA ALA 90 HA ALA 90 -3.118 -3.716 -8.659 618 1HB ALA 90 1HB ALA 90 -2.173 -1.489 -8.389 619 2HB ALA 90 2HB ALA 90 -3.098 -1.242 -6.908 620 3HB ALA 90 3HB ALA 90 -3.932 -1.368 -8.455 621 H LEU 91 H LEU 91 -2.941 -3.224 -5.139 622 HA LEU 91 HA LEU 91 -0.260 -3.792 -4.720 623 1HB LEU 91 2HB LEU 91 -2.648 -4.632 -2.948 624 2HB LEU 91 1HB LEU 91 -1.085 -5.245 -2.743 625 HG LEU 91 HG LEU 91 -0.074 -3.214 -2.123 626 1HD1 LEU 91 1HD1 LEU 91 -1.225 -1.095 -1.988 627 2HD1 LEU 91 2HD1 LEU 91 -2.645 -1.812 -2.753 628 3HD1 LEU 91 3HD1 LEU 91 -1.131 -1.676 -3.649 629 1HD2 LEU 91 1HD2 LEU 91 -1.282 -4.354 -0.382 630 2HD2 LEU 91 2HD2 LEU 91 -2.750 -3.465 -0.784 631 3HD2 LEU 91 3HD2 LEU 91 -1.350 -2.609 -0.138 632 H GLU 92 H GLU 92 -2.917 -6.060 -4.865 633 HA GLU 92 HA GLU 92 -1.213 -8.321 -4.631 634 1HB GLU 92 2HB GLU 92 -3.827 -8.037 -4.256 635 2HB GLU 92 1HB GLU 92 -3.923 -8.328 -5.962 636 1HG GLU 92 2HG GLU 92 -2.814 -10.272 -3.956 637 2HG GLU 92 1HG GLU 92 -4.426 -10.319 -4.651 638 H ASN 93 H ASN 93 -2.564 -6.779 -7.422 639 HA ASN 93 HA ASN 93 -1.533 -8.344 -9.435 640 1HB ASN 93 2HB ASN 93 -2.184 -5.493 -9.073 641 2HB ASN 93 1HB ASN 93 -1.298 -5.795 -10.523 642 1HD2 ASN 93 1HD2 ASN 93 -3.850 -4.761 -10.422 643 2HD2 ASN 93 2HD2 ASN 93 -4.984 -5.873 -11.076 644 H VAL 94 H VAL 94 0.021 -5.397 -8.148 645 HA VAL 94 HA VAL 94 2.481 -5.822 -9.426 646 HB VAL 94 HB VAL 94 3.476 -4.407 -7.856 647 1HG1 VAL 94 1HG1 VAL 94 0.988 -3.320 -9.246 648 2HG1 VAL 94 2HG1 VAL 94 2.596 -3.472 -9.955 649 3HG1 VAL 94 3HG1 VAL 94 2.296 -2.271 -8.699 650 1HG2 VAL 94 1HG2 VAL 94 2.104 -2.862 -6.414 651 2HG2 VAL 94 2HG2 VAL 94 2.214 -4.538 -5.878 652 3HG2 VAL 94 3HG2 VAL 94 0.752 -3.966 -6.680 653 H LEU 95 H LEU 95 1.487 -6.796 -6.296 654 HA LEU 95 HA LEU 95 4.236 -7.367 -6.095 655 1HB LEU 95 2HB LEU 95 3.948 -7.572 -3.644 656 2HB LEU 95 1HB LEU 95 3.571 -6.036 -4.409 657 HG LEU 95 HG LEU 95 1.181 -6.747 -4.365 658 1HD1 LEU 95 1HD1 LEU 95 0.430 -8.245 -2.662 659 2HD1 LEU 95 2HD1 LEU 95 2.098 -8.732 -2.331 660 3HD1 LEU 95 3HD1 LEU 95 1.366 -9.065 -3.908 661 1HD2 LEU 95 1HD2 LEU 95 0.851 -5.981 -2.088 662 2HD2 LEU 95 2HD2 LEU 95 2.001 -5.007 -3.006 663 3HD2 LEU 95 3HD2 LEU 95 2.580 -6.162 -1.804 664 H SER 96 H SER 96 1.499 -9.187 -6.437 665 HA SER 96 HA SER 96 3.079 -11.288 -5.415 666 1HB SER 96 2HB SER 96 0.365 -11.515 -6.757 667 2HB SER 96 1HB SER 96 1.204 -12.831 -5.937 668 HG SER 96 HG SER 96 -0.462 -11.326 -4.943 669 H GLY 97 H GLY 97 2.370 -9.705 -8.490 670 1HA GLY 97 2HA GLY 97 4.641 -11.042 -9.502 671 2HA GLY 97 1HA GLY 97 3.183 -11.742 -10.166 672 H LYS 98 H LYS 98 3.606 -8.218 -9.489 673 HA LYS 98 HA LYS 98 3.331 -8.080 -12.438 674 1HB LYS 98 2HB LYS 98 2.153 -6.491 -10.434 675 2HB LYS 98 1HB LYS 98 3.197 -5.451 -11.380 676 1HG LYS 98 2HG LYS 98 1.041 -7.209 -12.526 677 2HG LYS 98 1HG LYS 98 0.899 -5.476 -12.224 678 1HD LYS 98 2HD LYS 98 2.729 -5.048 -13.762 679 2HD LYS 98 1HD LYS 98 2.925 -6.770 -14.034 680 1HE LYS 98 2HE LYS 98 0.436 -5.172 -14.690 681 2HE LYS 98 1HE LYS 98 1.645 -5.697 -15.860 682 1HZ LYS 98 1HZ LYS 98 1.138 -7.985 -15.274 683 2HZ LYS 98 2HZ LYS 98 -0.238 -7.215 -15.864 684 3HZ LYS 98 3HZ LYS 98 -0.076 -7.497 -14.212 685 H ALA 99 H ALA 99 5.254 -7.292 -9.946 686 HA ALA 99 HA ALA 99 7.036 -5.535 -11.271 687 1HB ALA 99 1HB ALA 99 6.740 -5.647 -8.860 688 2HB ALA 99 2HB ALA 99 8.443 -5.808 -9.320 689 3HB ALA 99 3HB ALA 99 7.512 -7.231 -8.830 Start of MODEL 13 1 H GLY 15 H GLY 15 3.019 -10.602 -1.335 2 1HA GLY 15 1HA GLY 15 4.337 -12.642 -1.445 3 2HA GLY 15 2HA GLY 15 4.452 -12.384 -3.188 4 H LEU 16 H LEU 16 5.163 -10.926 -0.028 5 HA LEU 16 HA LEU 16 7.342 -9.501 -1.320 6 1HB LEU 16 2HB LEU 16 5.605 -8.031 0.612 7 2HB LEU 16 1HB LEU 16 6.888 -7.428 -0.394 8 HG LEU 16 HG LEU 16 5.057 -8.164 -2.276 9 1HD1 LEU 16 1HD1 LEU 16 2.949 -7.463 -1.452 10 2HD1 LEU 16 2HD1 LEU 16 3.677 -7.133 0.119 11 3HD1 LEU 16 3HD1 LEU 16 3.538 -8.812 -0.448 12 1HD2 LEU 16 1HD2 LEU 16 6.300 -6.067 -2.026 13 2HD2 LEU 16 2HD2 LEU 16 5.225 -5.616 -0.701 14 3HD2 LEU 16 3HD2 LEU 16 4.584 -5.811 -2.332 15 H ARG 17 H ARG 17 8.513 -8.317 0.330 16 HA ARG 17 HA ARG 17 8.721 -9.809 2.801 17 1HB ARG 17 2HB ARG 17 10.611 -7.791 1.543 18 2HB ARG 17 1HB ARG 17 10.915 -8.710 3.010 19 1HG ARG 17 2HG ARG 17 10.898 -10.780 1.719 20 2HG ARG 17 1HG ARG 17 10.601 -9.867 0.241 21 1HD ARG 17 2HD ARG 17 12.945 -10.391 0.370 22 2HD ARG 17 1HD ARG 17 12.751 -8.661 0.643 23 HE ARG 17 HE ARG 17 12.840 -10.313 3.020 24 1HH1 ARG 17 1HH1 ARG 17 14.682 -8.261 0.798 25 2HH1 ARG 17 2HH1 ARG 17 16.028 -8.088 1.847 26 1HH2 ARG 17 1HH2 ARG 17 14.740 -10.046 4.474 27 2HH2 ARG 17 2HH2 ARG 17 16.043 -9.097 3.926 28 H GLU 18 H GLU 18 7.912 -6.756 1.230 29 HA GLU 18 HA GLU 18 6.915 -5.754 3.855 30 1HB GLU 18 2HB GLU 18 8.655 -4.001 2.098 31 2HB GLU 18 1HB GLU 18 7.791 -3.466 3.508 32 1HG GLU 18 2HG GLU 18 10.223 -5.214 3.369 33 2HG GLU 18 1HG GLU 18 10.074 -3.591 3.942 34 H ILE 19 H ILE 19 4.684 -4.760 3.520 35 HA ILE 19 HA ILE 19 4.812 -2.835 1.384 36 HB ILE 19 HB ILE 19 2.479 -4.451 2.344 37 1HG1 ILE 19 2HG1 ILE 19 3.646 -5.073 0.275 38 2HG1 ILE 19 1HG1 ILE 19 1.953 -4.672 -0.007 39 1HG2 ILE 19 1HG2 ILE 19 0.859 -2.853 1.344 40 2HG2 ILE 19 2HG2 ILE 19 2.181 -1.724 1.054 41 3HG2 ILE 19 3HG2 ILE 19 1.732 -2.144 2.706 42 1HD1 ILE 19 1HD1 ILE 19 2.603 -2.467 -0.798 43 2HD1 ILE 19 2HD1 ILE 19 3.390 -3.741 -1.731 44 3HD1 ILE 19 3HD1 ILE 19 4.298 -2.854 -0.505 45 H ARG 20 H ARG 20 5.263 -1.179 2.173 46 HA ARG 20 HA ARG 20 4.289 -0.461 4.841 47 1HB ARG 20 2HB ARG 20 6.889 0.359 3.541 48 2HB ARG 20 1HB ARG 20 6.289 0.991 5.065 49 1HG ARG 20 2HG ARG 20 6.407 -1.246 6.045 50 2HG ARG 20 1HG ARG 20 7.006 -1.882 4.509 51 1HD ARG 20 2HD ARG 20 8.959 -0.468 4.651 52 2HD ARG 20 1HD ARG 20 8.351 0.268 6.129 53 HE ARG 20 HE ARG 20 8.597 -2.562 6.354 54 1HH1 ARG 20 1HH1 ARG 20 10.566 0.405 6.311 55 2HH1 ARG 20 2HH1 ARG 20 11.733 -0.182 7.384 56 1HH2 ARG 20 1HH2 ARG 20 10.194 -3.354 7.905 57 2HH2 ARG 20 2HH2 ARG 20 11.495 -2.351 8.349 58 H ILE 21 H ILE 21 2.644 0.761 4.475 59 HA ILE 21 HA ILE 21 2.434 2.521 2.201 60 HB ILE 21 HB ILE 21 0.987 3.370 4.477 61 1HG1 ILE 21 2HG1 ILE 21 0.192 0.585 3.554 62 2HG1 ILE 21 1HG1 ILE 21 1.070 0.907 5.048 63 1HG2 ILE 21 1HG2 ILE 21 0.425 4.064 2.246 64 2HG2 ILE 21 2HG2 ILE 21 -0.954 3.158 2.878 65 3HG2 ILE 21 3HG2 ILE 21 0.155 2.395 1.739 66 1HD1 ILE 21 1HD1 ILE 21 -1.289 0.625 5.487 67 2HD1 ILE 21 2HD1 ILE 21 -1.655 1.931 4.350 68 3HD1 ILE 21 3HD1 ILE 21 -0.771 2.283 5.824 69 H HIS 22 H HIS 22 3.135 4.511 2.229 70 HA HIS 22 HA HIS 22 4.116 5.587 4.761 71 1HB HIS 22 2HB HIS 22 4.318 6.625 1.905 72 2HB HIS 22 1HB HIS 22 4.864 7.544 3.299 73 HD1 HIS 22 1HD HIS 22 6.843 6.510 0.862 74 HD2 HIS 22 2HD HIS 22 6.392 4.813 4.660 75 HE1 HIS 22 1HE HIS 22 8.918 5.316 1.312 76 HE2 HIS 22 2HE HIS 22 8.771 4.828 3.760 77 H LEU 23 H LEU 23 2.662 6.732 5.969 78 HA LEU 23 HA LEU 23 0.350 7.890 4.610 79 1HB LEU 23 2HB LEU 23 -0.281 5.708 5.369 80 2HB LEU 23 1HB LEU 23 0.385 6.012 6.957 81 HG LEU 23 HG LEU 23 -1.341 7.800 7.257 82 1HD1 LEU 23 1HD1 LEU 23 -3.312 7.779 5.814 83 2HD1 LEU 23 2HD1 LEU 23 -2.498 6.642 4.737 84 3HD1 LEU 23 3HD1 LEU 23 -1.851 8.269 4.954 85 1HD2 LEU 23 1HD2 LEU 23 -2.340 4.999 6.772 86 2HD2 LEU 23 2HD2 LEU 23 -3.169 6.234 7.716 87 3HD2 LEU 23 3HD2 LEU 23 -1.608 5.609 8.255 88 H CYS 24 H CYS 24 -0.484 9.696 5.708 89 HA CYS 24 HA CYS 24 -0.491 10.369 8.285 90 1HB CYS 24 2HB CYS 24 1.169 12.197 8.480 91 2HB CYS 24 1HB CYS 24 1.973 10.656 8.234 92 H GLN 25 H GLN 25 -0.601 13.192 8.097 93 HA GLN 25 HA GLN 25 -1.971 13.622 5.575 94 1HB GLN 25 2HB GLN 25 -3.634 12.824 7.297 95 2HB GLN 25 1HB GLN 25 -3.293 14.282 8.211 96 1HG GLN 25 2HG GLN 25 -5.357 14.417 6.857 97 2HG GLN 25 1HG GLN 25 -4.168 15.659 6.461 98 1HE2 GLN 25 1HE2 GLN 25 -3.289 15.703 4.478 99 2HE2 GLN 25 2HE2 GLN 25 -3.717 14.676 3.166 100 H ARG 26 H ARG 26 -0.555 15.032 4.884 101 HA ARG 26 HA ARG 26 -0.375 17.602 6.279 102 1HB ARG 26 2HB ARG 26 2.025 17.785 5.796 103 2HB ARG 26 1HB ARG 26 1.679 16.429 6.858 104 1HG ARG 26 2HG ARG 26 2.036 14.858 5.119 105 2HG ARG 26 1HG ARG 26 2.042 16.122 3.889 106 1HD ARG 26 2HD ARG 26 4.089 15.726 6.064 107 2HD ARG 26 1HD ARG 26 4.295 15.342 4.354 108 HE ARG 26 HE ARG 26 3.979 18.037 5.478 109 1HH1 ARG 26 1HH1 ARG 26 5.076 15.956 2.816 110 2HH1 ARG 26 2HH1 ARG 26 6.012 17.163 2.074 111 1HH2 ARG 26 1HH2 ARG 26 5.277 19.673 4.461 112 2HH2 ARG 26 2HH2 ARG 26 6.153 19.344 3.056 113 H SER 27 H SER 27 0.019 15.787 3.212 114 HA SER 27 HA SER 27 -0.226 18.332 1.791 115 1HB SER 27 2HB SER 27 1.122 15.722 1.012 116 2HB SER 27 1HB SER 27 1.063 17.174 0.014 117 HG SER 27 HG SER 27 2.045 18.176 2.026 118 HA PRO 28 HA PRO 28 -3.684 17.164 -1.112 119 1HB PRO 28 2HB PRO 28 -1.620 15.240 -2.219 120 2HB PRO 28 1HB PRO 28 -2.988 16.007 -3.074 121 1HG PRO 28 2HG PRO 28 -0.531 17.062 -3.062 122 2HG PRO 28 1HG PRO 28 -1.982 18.081 -3.025 123 1HD PRO 28 2HD PRO 28 0.038 17.724 -0.960 124 2HD PRO 28 1HD PRO 28 -1.327 18.861 -0.990 125 H GLY 29 H GLY 29 -5.211 16.250 0.147 126 1HA GLY 29 2HA GLY 29 -4.904 13.954 1.742 127 2HA GLY 29 1HA GLY 29 -6.423 14.746 1.333 128 H SER 30 H SER 30 -5.099 11.883 1.290 129 HA SER 30 HA SER 30 -6.053 11.244 -1.369 130 1HB SER 30 2HB SER 30 -4.077 9.745 0.325 131 2HB SER 30 1HB SER 30 -4.521 9.437 -1.361 132 HG SER 30 HG SER 30 -3.576 11.978 -0.610 133 H GLN 31 H GLN 31 -7.683 10.086 -1.513 134 HA GLN 31 HA GLN 31 -9.083 9.286 0.922 135 1HB GLN 31 2HB GLN 31 -11.085 9.141 -0.714 136 2HB GLN 31 1HB GLN 31 -10.511 10.725 -0.225 137 1HG GLN 31 2HG GLN 31 -9.609 11.185 -2.296 138 2HG GLN 31 1HG GLN 31 -9.452 9.485 -2.717 139 1HE2 GLN 31 1HE2 GLN 31 -11.045 8.501 -3.757 140 2HE2 GLN 31 2HE2 GLN 31 -12.515 9.238 -4.249 141 H GLY 32 H GLY 32 -8.088 8.184 -2.235 142 1HA GLY 32 2HA GLY 32 -9.201 5.619 -2.043 143 2HA GLY 32 1HA GLY 32 -7.806 6.065 -3.028 144 H VAL 33 H VAL 33 -6.286 7.093 -0.858 145 HA VAL 33 HA VAL 33 -5.311 4.525 -0.020 146 HB VAL 33 HB VAL 33 -3.670 6.451 -0.441 147 1HG1 VAL 33 1HG1 VAL 33 -4.466 7.300 2.325 148 2HG1 VAL 33 2HG1 VAL 33 -4.708 8.213 0.833 149 3HG1 VAL 33 3HG1 VAL 33 -3.075 7.900 1.420 150 1HG2 VAL 33 1HG2 VAL 33 -2.096 5.710 1.281 151 2HG2 VAL 33 2HG2 VAL 33 -2.951 4.367 0.517 152 3HG2 VAL 33 3HG2 VAL 33 -3.423 4.911 2.125 153 H ARG 34 H ARG 34 -6.622 7.324 1.755 154 HA ARG 34 HA ARG 34 -6.983 6.415 4.269 155 1HB ARG 34 2HB ARG 34 -7.894 8.541 3.222 156 2HB ARG 34 1HB ARG 34 -9.230 7.582 2.708 157 1HG ARG 34 2HG ARG 34 -9.819 6.912 4.945 158 2HG ARG 34 1HG ARG 34 -8.478 7.852 5.595 159 1HD ARG 34 2HD ARG 34 -9.495 9.893 4.890 160 2HD ARG 34 1HD ARG 34 -10.755 9.015 4.015 161 HE ARG 34 HE ARG 34 -11.167 8.039 6.374 162 1HH1 ARG 34 1HH1 ARG 34 -10.383 11.404 5.625 163 2HH1 ARG 34 2HH1 ARG 34 -11.351 12.093 6.847 164 1HH2 ARG 34 1HH2 ARG 34 -12.548 8.945 8.031 165 2HH2 ARG 34 2HH2 ARG 34 -12.648 10.615 8.282 166 H ASP 35 H ASP 35 -9.203 5.840 1.643 167 HA ASP 35 HA ASP 35 -10.975 4.091 2.942 168 1HB ASP 35 2HB ASP 35 -10.169 4.393 0.091 169 2HB ASP 35 1HB ASP 35 -11.251 3.129 0.496 170 H PHE 36 H PHE 36 -8.180 3.273 1.009 171 HA PHE 36 HA PHE 36 -8.269 0.586 1.604 172 1HB PHE 36 2HB PHE 36 -6.624 0.995 -0.017 173 2HB PHE 36 1HB PHE 36 -6.271 2.540 0.697 174 HD1 PHE 36 1HD PHE 36 -5.163 -0.952 0.320 175 HD2 PHE 36 2HD PHE 36 -4.690 2.656 2.597 176 HE1 PHE 36 1HE PHE 36 -2.940 -1.610 0.904 177 HE2 PHE 36 2HE PHE 36 -2.435 1.926 3.183 178 HZ PHE 36 HZ PHE 36 -1.551 -0.196 2.336 179 H ILE 37 H ILE 37 -6.634 3.063 3.216 180 HA ILE 37 HA ILE 37 -5.342 1.801 5.357 181 HB ILE 37 HB ILE 37 -6.827 4.339 5.635 182 1HG1 ILE 37 2HG1 ILE 37 -5.412 4.947 3.787 183 2HG1 ILE 37 1HG1 ILE 37 -4.767 5.660 5.219 184 1HG2 ILE 37 1HG2 ILE 37 -4.450 3.391 7.201 185 2HG2 ILE 37 2HG2 ILE 37 -6.097 3.648 7.777 186 3HG2 ILE 37 3HG2 ILE 37 -5.095 5.027 7.323 187 1HD1 ILE 37 1HD1 ILE 37 -3.124 4.835 3.751 188 2HD1 ILE 37 2HD1 ILE 37 -3.673 3.170 4.002 189 3HD1 ILE 37 3HD1 ILE 37 -2.987 4.114 5.356 190 H GLU 38 H GLU 38 -8.799 2.601 5.093 191 HA GLU 38 HA GLU 38 -9.087 1.780 7.876 192 1HB GLU 38 2HB GLU 38 -11.163 3.145 8.072 193 2HB GLU 38 1HB GLU 38 -9.706 4.084 7.833 194 1HG GLU 38 2HG GLU 38 -10.311 4.449 5.500 195 2HG GLU 38 1HG GLU 38 -11.748 3.448 5.710 196 H LYS 39 H LYS 39 -10.929 1.877 4.903 197 HA LYS 39 HA LYS 39 -12.940 0.059 5.794 198 1HB LYS 39 2HB LYS 39 -13.222 1.878 4.064 199 2HB LYS 39 1HB LYS 39 -12.214 0.898 3.001 200 1HG LYS 39 2HG LYS 39 -13.929 -0.964 3.360 201 2HG LYS 39 1HG LYS 39 -14.967 0.275 4.053 202 1HD LYS 39 2HD LYS 39 -15.613 0.067 1.777 203 2HD LYS 39 1HD LYS 39 -14.666 1.552 1.875 204 1HE LYS 39 2HE LYS 39 -12.715 0.423 0.987 205 2HE LYS 39 1HE LYS 39 -13.556 -1.126 1.018 206 1HZ LYS 39 1HZ LYS 39 -14.162 1.209 -0.726 207 2HZ LYS 39 2HZ LYS 39 -15.164 -0.145 -0.568 208 3HZ LYS 39 3HZ LYS 39 -13.642 -0.325 -1.231 209 H ARG 40 H ARG 40 -9.963 -0.039 3.851 210 HA ARG 40 HA ARG 40 -10.777 -2.680 3.035 211 1HB ARG 40 2HB ARG 40 -10.236 -0.980 1.320 212 2HB ARG 40 1HB ARG 40 -8.596 -0.914 1.946 213 1HG ARG 40 2HG ARG 40 -8.588 -2.295 0.028 214 2HG ARG 40 1HG ARG 40 -8.386 -3.309 1.460 215 1HD ARG 40 2HD ARG 40 -10.783 -3.866 1.371 216 2HD ARG 40 1HD ARG 40 -10.933 -2.910 -0.105 217 HE ARG 40 HE ARG 40 -8.883 -4.811 -0.387 218 1HH1 ARG 40 1HH1 ARG 40 -12.383 -4.543 -0.454 219 2HH1 ARG 40 2HH1 ARG 40 -12.650 -6.007 -1.278 220 1HH2 ARG 40 1HH2 ARG 40 -9.173 -6.790 -1.447 221 2HH2 ARG 40 2HH2 ARG 40 -10.725 -7.385 -1.863 222 H TYR 41 H TYR 41 -8.514 -0.954 4.973 223 HA TYR 41 HA TYR 41 -6.227 -2.315 5.272 224 1HB TYR 41 2HB TYR 41 -7.193 -0.503 6.767 225 2HB TYR 41 1HB TYR 41 -8.039 -1.770 7.561 226 HD1 TYR 41 1HD TYR 41 -4.593 -0.604 6.921 227 HD2 TYR 41 2HD TYR 41 -7.155 -3.085 9.218 228 HE1 TYR 41 1HE TYR 41 -2.755 -1.046 8.470 229 HE2 TYR 41 2HE TYR 41 -5.411 -3.556 10.759 230 HH TYR 41 HH TYR 41 -2.540 -1.721 10.907 231 H VAL 42 H VAL 42 -8.934 -3.469 7.153 232 HA VAL 42 HA VAL 42 -7.556 -5.749 8.019 233 HB VAL 42 HB VAL 42 -9.256 -4.948 9.387 234 1HG1 VAL 42 1HG1 VAL 42 -11.144 -5.096 7.058 235 2HG1 VAL 42 2HG1 VAL 42 -10.331 -3.681 7.749 236 3HG1 VAL 42 3HG1 VAL 42 -11.537 -4.552 8.716 237 1HG2 VAL 42 1HG2 VAL 42 -10.845 -6.801 9.651 238 2HG2 VAL 42 2HG2 VAL 42 -9.195 -7.367 9.342 239 3HG2 VAL 42 3HG2 VAL 42 -10.392 -7.405 8.046 240 H GLU 43 H GLU 43 -9.565 -5.150 5.291 241 HA GLU 43 HA GLU 43 -9.767 -7.897 4.338 242 1HB GLU 43 2HB GLU 43 -11.442 -5.982 4.030 243 2HB GLU 43 1HB GLU 43 -10.269 -5.249 2.955 244 1HG GLU 43 2HG GLU 43 -11.901 -6.337 1.643 245 2HG GLU 43 1HG GLU 43 -10.416 -7.281 1.542 246 H LEU 44 H LEU 44 -7.450 -5.289 4.299 247 HA LEU 44 HA LEU 44 -6.208 -6.095 1.869 248 1HB LEU 44 2HB LEU 44 -6.075 -3.816 2.238 249 2HB LEU 44 1HB LEU 44 -6.033 -4.002 3.970 250 HG LEU 44 HG LEU 44 -3.638 -4.813 3.589 251 1HD1 LEU 44 1HD1 LEU 44 -2.509 -3.876 1.719 252 2HD1 LEU 44 2HD1 LEU 44 -4.094 -3.457 1.031 253 3HD1 LEU 44 3HD1 LEU 44 -3.661 -5.161 1.314 254 1HD2 LEU 44 1HD2 LEU 44 -4.403 -1.947 3.198 255 2HD2 LEU 44 2HD2 LEU 44 -2.815 -2.533 3.691 256 3HD2 LEU 44 3HD2 LEU 44 -4.210 -2.785 4.737 257 H LYS 45 H LYS 45 -5.811 -6.342 5.281 258 HA LYS 45 HA LYS 45 -3.395 -7.762 5.152 259 1HB LYS 45 2HB LYS 45 -4.108 -6.558 7.155 260 2HB LYS 45 1HB LYS 45 -5.496 -7.626 7.323 261 1HG LYS 45 2HG LYS 45 -3.976 -9.512 7.682 262 2HG LYS 45 1HG LYS 45 -2.605 -8.409 7.554 263 1HD LYS 45 2HD LYS 45 -3.419 -7.166 9.485 264 2HD LYS 45 1HD LYS 45 -4.808 -8.257 9.608 265 1HE LYS 45 2HE LYS 45 -3.276 -10.141 9.944 266 2HE LYS 45 1HE LYS 45 -1.904 -9.049 9.803 267 1HZ LYS 45 1HZ LYS 45 -3.975 -8.958 11.936 268 2HZ LYS 45 2HZ LYS 45 -2.622 -7.930 11.799 269 3HZ LYS 45 3HZ LYS 45 -2.400 -9.576 12.066 270 H LYS 46 H LYS 46 -6.823 -8.644 5.305 271 HA LYS 46 HA LYS 46 -6.217 -11.438 5.554 272 1HB LYS 46 2HB LYS 46 -8.489 -11.826 5.809 273 2HB LYS 46 1HB LYS 46 -8.307 -10.204 6.457 274 1HG LYS 46 2HG LYS 46 -8.946 -9.613 3.861 275 2HG LYS 46 1HG LYS 46 -9.569 -11.143 3.969 276 1HD LYS 46 2HD LYS 46 -10.391 -9.260 6.133 277 2HD LYS 46 1HD LYS 46 -11.288 -9.446 4.629 278 1HE LYS 46 2HE LYS 46 -10.635 -11.697 6.533 279 2HE LYS 46 1HE LYS 46 -12.161 -10.821 6.505 280 1HZ LYS 46 1HZ LYS 46 -11.076 -12.463 4.244 281 2HZ LYS 46 2HZ LYS 46 -12.528 -11.621 4.232 282 3HZ LYS 46 3HZ LYS 46 -12.329 -12.898 5.281 283 H ALA 47 H ALA 47 -7.056 -9.232 2.776 284 HA ALA 47 HA ALA 47 -7.687 -11.602 1.497 285 1HB ALA 47 1HB ALA 47 -8.527 -10.288 -0.444 286 2HB ALA 47 2HB ALA 47 -7.998 -8.823 0.386 287 3HB ALA 47 3HB ALA 47 -9.248 -9.842 1.103 288 H ASN 48 H ASN 48 -4.948 -10.029 2.049 289 HA ASN 48 HA ASN 48 -3.570 -10.797 -0.350 290 1HB ASN 48 2HB ASN 48 -2.951 -8.273 1.254 291 2HB ASN 48 1HB ASN 48 -2.129 -8.860 -0.133 292 1HD2 ASN 48 1HD2 ASN 48 -2.344 -6.708 -1.055 293 2HD2 ASN 48 2HD2 ASN 48 -3.813 -6.259 -1.810 294 HA PRO 49 HA PRO 49 -2.460 -12.850 3.595 295 1HB PRO 49 2HB PRO 49 -1.203 -14.918 2.330 296 2HB PRO 49 1HB PRO 49 -2.943 -14.859 2.642 297 1HG PRO 49 2HG PRO 49 -1.430 -14.108 0.181 298 2HG PRO 49 1HG PRO 49 -2.896 -15.080 0.302 299 1HD PRO 49 2HD PRO 49 -3.008 -12.501 -0.397 300 2HD PRO 49 1HD PRO 49 -4.249 -13.068 0.728 301 H ASP 50 H ASP 50 -0.252 -13.212 1.085 302 HA ASP 50 HA ASP 50 1.932 -12.543 2.942 303 1HB ASP 50 2HB ASP 50 2.210 -14.513 1.370 304 2HB ASP 50 1HB ASP 50 2.342 -13.357 0.049 305 H LEU 51 H LEU 51 0.450 -10.502 2.658 306 HA LEU 51 HA LEU 51 2.032 -8.629 1.097 307 1HB LEU 51 2HB LEU 51 -0.314 -8.998 0.415 308 2HB LEU 51 1HB LEU 51 -0.914 -8.513 1.955 309 HG LEU 51 HG LEU 51 -1.365 -6.775 0.501 310 1HD1 LEU 51 1HD1 LEU 51 -0.503 -5.835 2.472 311 2HD1 LEU 51 2HD1 LEU 51 -0.042 -4.849 1.080 312 3HD1 LEU 51 3HD1 LEU 51 1.141 -5.915 1.841 313 1HD2 LEU 51 1HD2 LEU 51 -0.092 -7.475 -1.370 314 2HD2 LEU 51 2HD2 LEU 51 1.404 -6.968 -0.588 315 3HD2 LEU 51 3HD2 LEU 51 0.199 -5.766 -1.052 316 HA PRO 52 HA PRO 52 2.926 -7.919 5.665 317 1HB PRO 52 2HB PRO 52 4.687 -5.961 4.436 318 2HB PRO 52 1HB PRO 52 4.971 -7.172 5.693 319 1HG PRO 52 2HG PRO 52 5.835 -7.362 3.115 320 2HG PRO 52 1HG PRO 52 5.555 -8.764 4.129 321 1HD PRO 52 2HD PRO 52 4.001 -7.691 1.864 322 2HD PRO 52 1HD PRO 52 3.974 -9.325 2.550 323 H ILE 53 H ILE 53 1.856 -6.549 6.723 324 HA ILE 53 HA ILE 53 0.860 -4.120 5.346 325 HB ILE 53 HB ILE 53 -0.458 -5.399 7.784 326 1HG1 ILE 53 2HG1 ILE 53 -0.519 -6.938 5.814 327 2HG1 ILE 53 1HG1 ILE 53 -2.111 -6.429 6.359 328 1HG2 ILE 53 1HG2 ILE 53 -1.088 -3.070 7.546 329 2HG2 ILE 53 2HG2 ILE 53 -2.464 -4.092 7.084 330 3HG2 ILE 53 3HG2 ILE 53 -1.492 -3.332 5.848 331 1HD1 ILE 53 1HD1 ILE 53 -0.617 -5.360 3.967 332 2HD1 ILE 53 2HD1 ILE 53 -2.206 -4.824 4.497 333 3HD1 ILE 53 3HD1 ILE 53 -1.983 -6.461 3.919 334 H LEU 54 H LEU 54 2.445 -2.601 5.947 335 HA LEU 54 HA LEU 54 2.608 -1.987 8.824 336 1HB LEU 54 2HB LEU 54 4.848 -1.784 6.793 337 2HB LEU 54 1HB LEU 54 4.917 -1.084 8.386 338 HG LEU 54 HG LEU 54 6.222 -3.009 8.463 339 1HD1 LEU 54 1HD1 LEU 54 3.590 -3.710 9.688 340 2HD1 LEU 54 2HD1 LEU 54 4.895 -2.774 10.418 341 3HD1 LEU 54 3HD1 LEU 54 5.130 -4.486 10.052 342 1HD2 LEU 54 1HD2 LEU 54 5.505 -4.124 6.439 343 2HD2 LEU 54 2HD2 LEU 54 3.965 -4.545 7.187 344 3HD2 LEU 54 3HD2 LEU 54 5.461 -5.256 7.792 345 H ILE 55 H ILE 55 2.379 0.132 9.389 346 HA ILE 55 HA ILE 55 1.825 2.002 7.220 347 HB ILE 55 HB ILE 55 0.796 1.969 10.087 348 1HG1 ILE 55 2HG1 ILE 55 -1.493 2.207 8.848 349 2HG1 ILE 55 1HG1 ILE 55 -0.571 1.912 7.406 350 1HG2 ILE 55 1HG2 ILE 55 1.441 4.249 9.632 351 2HG2 ILE 55 2HG2 ILE 55 -0.316 4.117 9.686 352 3HG2 ILE 55 3HG2 ILE 55 0.513 4.244 8.132 353 1HD1 ILE 55 1HD1 ILE 55 0.068 -0.279 8.166 354 2HD1 ILE 55 2HD1 ILE 55 -1.685 -0.095 8.182 355 3HD1 ILE 55 3HD1 ILE 55 -0.775 -0.016 9.693 356 H ARG 56 H ARG 56 3.243 3.413 6.833 357 HA ARG 56 HA ARG 56 5.212 4.191 8.864 358 1HB ARG 56 2HB ARG 56 5.367 4.376 5.858 359 2HB ARG 56 1HB ARG 56 6.579 4.974 6.962 360 1HG ARG 56 2HG ARG 56 5.799 2.069 6.806 361 2HG ARG 56 1HG ARG 56 7.132 2.777 5.900 362 1HD ARG 56 2HD ARG 56 8.071 1.762 7.835 363 2HD ARG 56 1HD ARG 56 8.109 3.498 8.107 364 HE ARG 56 HE ARG 56 5.859 2.029 9.228 365 1HH1 ARG 56 1HH1 ARG 56 8.907 3.736 9.831 366 2HH1 ARG 56 2HH1 ARG 56 8.797 3.603 11.531 367 1HH2 ARG 56 1HH2 ARG 56 5.741 1.806 11.524 368 2HH2 ARG 56 2HH2 ARG 56 6.975 2.432 12.524 369 H GLU 57 H GLU 57 6.070 6.460 8.269 370 HA GLU 57 HA GLU 57 3.731 8.203 8.297 371 1HB GLU 57 2HB GLU 57 6.320 8.505 9.784 372 2HB GLU 57 1HB GLU 57 5.022 9.702 9.767 373 1HG GLU 57 2HG GLU 57 3.491 7.994 10.655 374 2HG GLU 57 1HG GLU 57 4.856 6.887 10.787 375 H CYS 58 H CYS 58 4.296 10.583 7.957 376 HA CYS 58 HA CYS 58 4.552 11.366 5.462 377 1HB CYS 58 2HB CYS 58 5.825 12.766 7.804 378 2HB CYS 58 1HB CYS 58 5.629 13.496 6.220 379 H SER 59 H SER 59 5.920 11.663 3.890 380 HA SER 59 HA SER 59 8.739 11.246 4.230 381 1HB SER 59 2HB SER 59 8.287 9.276 2.400 382 2HB SER 59 1HB SER 59 8.529 9.018 4.133 383 HG SER 59 HG SER 59 6.473 8.819 4.466 384 H ASP 60 H ASP 60 5.965 11.826 1.927 385 HA ASP 60 HA ASP 60 7.746 13.386 0.293 386 1HB ASP 60 2HB ASP 60 5.949 11.214 -0.886 387 2HB ASP 60 1HB ASP 60 6.963 12.324 -1.789 388 H VAL 61 H VAL 61 4.938 12.800 -1.416 389 HA VAL 61 HA VAL 61 3.640 15.065 -0.233 390 HB VAL 61 HB VAL 61 2.605 13.153 -2.382 391 1HG1 VAL 61 1HG1 VAL 61 0.790 14.755 -2.769 392 2HG1 VAL 61 2HG1 VAL 61 1.342 15.713 -1.397 393 3HG1 VAL 61 3HG1 VAL 61 0.717 14.085 -1.139 394 1HG2 VAL 61 1HG2 VAL 61 4.391 14.586 -3.178 395 2HG2 VAL 61 2HG2 VAL 61 3.528 15.996 -2.531 396 3HG2 VAL 61 3HG2 VAL 61 2.824 15.071 -3.852 397 H GLN 62 H GLN 62 2.473 11.751 -0.718 398 HA GLN 62 HA GLN 62 1.330 11.872 1.845 399 1HB GLN 62 2HB GLN 62 -0.441 12.341 -0.473 400 2HB GLN 62 1HB GLN 62 -1.122 11.395 0.830 401 1HG GLN 62 2HG GLN 62 0.162 14.085 1.152 402 2HG GLN 62 1HG GLN 62 -1.569 13.824 0.936 403 1HE2 GLN 62 1HE2 GLN 62 -1.774 11.489 2.482 404 2HE2 GLN 62 2HE2 GLN 62 -1.534 11.929 4.131 405 HA PRO 63 HA PRO 63 0.314 7.492 0.989 406 1HB PRO 63 2HB PRO 63 -1.214 6.735 -1.033 407 2HB PRO 63 1HB PRO 63 -1.847 7.771 0.246 408 1HG PRO 63 2HG PRO 63 -1.313 8.421 -2.556 409 2HG PRO 63 1HG PRO 63 -2.236 9.337 -1.354 410 1HD PRO 63 2HD PRO 63 0.564 9.650 -2.192 411 2HD PRO 63 1HD PRO 63 -0.473 10.784 -1.297 412 H LYS 64 H LYS 64 2.539 6.994 0.521 413 HA LYS 64 HA LYS 64 2.991 6.168 -2.290 414 1HB LYS 64 2HB LYS 64 5.115 6.666 -0.154 415 2HB LYS 64 1HB LYS 64 5.421 6.202 -1.811 416 1HG LYS 64 2HG LYS 64 5.978 8.486 -1.555 417 2HG LYS 64 1HG LYS 64 4.494 8.444 -2.522 418 1HD LYS 64 2HD LYS 64 4.250 10.234 -0.854 419 2HD LYS 64 1HD LYS 64 3.266 8.837 -0.458 420 1HE LYS 64 2HE LYS 64 4.968 8.046 1.097 421 2HE LYS 64 1HE LYS 64 5.991 9.412 0.683 422 1HZ LYS 64 1HZ LYS 64 4.872 9.692 2.756 423 2HZ LYS 64 2HZ LYS 64 3.341 9.588 2.018 424 3HZ LYS 64 3HZ LYS 64 4.339 10.896 1.703 425 H LEU 65 H LEU 65 3.692 4.210 -2.744 426 HA LEU 65 HA LEU 65 2.877 2.224 -0.762 427 1HB LEU 65 2HB LEU 65 2.098 2.522 -3.228 428 2HB LEU 65 1HB LEU 65 3.628 1.893 -3.575 429 HG LEU 65 HG LEU 65 3.307 -0.220 -2.553 430 1HD1 LEU 65 1HD1 LEU 65 1.232 -0.878 -1.474 431 2HD1 LEU 65 2HD1 LEU 65 0.617 0.767 -1.649 432 3HD1 LEU 65 3HD1 LEU 65 2.014 0.454 -0.620 433 1HD2 LEU 65 1HD2 LEU 65 1.502 -1.109 -3.922 434 2HD2 LEU 65 2HD2 LEU 65 2.457 0.065 -4.837 435 3HD2 LEU 65 3HD2 LEU 65 0.882 0.516 -4.172 436 H TRP 66 H TRP 66 4.809 1.788 0.458 437 HA TRP 66 HA TRP 66 7.007 1.346 -1.257 438 1HB TRP 66 2HB TRP 66 7.804 2.320 0.793 439 2HB TRP 66 1HB TRP 66 6.811 1.255 1.786 440 HD1 TRP 66 HD TRP 66 8.013 -0.871 2.735 441 HE1 TRP 66 1HE TRP 66 10.228 -2.096 2.244 442 HE3 TRP 66 3HE TRP 66 9.516 1.873 -1.231 443 HZ2 TRP 66 2HZ TRP 66 12.338 -1.881 0.337 444 HZ3 TRP 66 3HZ TRP 66 11.599 1.315 -2.345 445 HH2 TRP 66 HH TRP 66 12.949 -0.461 -1.646 446 H ALA 67 H ALA 67 7.308 -0.512 -2.091 447 HA ALA 67 HA ALA 67 6.162 -2.876 -0.890 448 1HB ALA 67 1HB ALA 67 4.952 -2.312 -2.898 449 2HB ALA 67 2HB ALA 67 5.908 -3.769 -3.170 450 3HB ALA 67 3HB ALA 67 6.457 -2.222 -3.810 451 H ARG 68 H ARG 68 7.593 -4.614 -0.792 452 HA ARG 68 HA ARG 68 10.093 -4.493 -2.185 453 1HB ARG 68 2HB ARG 68 10.540 -3.398 0.080 454 2HB ARG 68 1HB ARG 68 10.003 -4.900 0.831 455 1HG ARG 68 2HG ARG 68 12.320 -5.161 0.778 456 2HG ARG 68 1HG ARG 68 11.741 -6.011 -0.668 457 1HD ARG 68 2HD ARG 68 12.179 -3.653 -1.839 458 2HD ARG 68 1HD ARG 68 13.197 -3.430 -0.450 459 HE ARG 68 HE ARG 68 13.861 -5.911 -1.421 460 1HH1 ARG 68 1HH1 ARG 68 14.313 -2.521 -2.236 461 2HH1 ARG 68 2HH1 ARG 68 15.386 -2.803 -3.525 462 1HH2 ARG 68 1HH2 ARG 68 15.492 -6.330 -3.129 463 2HH2 ARG 68 2HH2 ARG 68 16.096 -5.001 -4.010 464 H TYR 69 H TYR 69 9.541 -6.125 -3.145 465 HA TYR 69 HA TYR 69 7.862 -8.173 -1.999 466 1HB TYR 69 2HB TYR 69 9.283 -8.702 -4.605 467 2HB TYR 69 1HB TYR 69 7.668 -9.170 -4.113 468 HD1 TYR 69 1HD TYR 69 9.097 -7.563 -6.568 469 HD2 TYR 69 2HD TYR 69 6.483 -6.644 -3.412 470 HE1 TYR 69 1HE TYR 69 8.210 -5.672 -7.866 471 HE2 TYR 69 2HE TYR 69 5.558 -4.824 -4.631 472 HH TYR 69 HH TYR 69 6.144 -4.356 -7.963 473 H ALA 70 H ALA 70 8.477 -10.548 -2.148 474 HA ALA 70 HA ALA 70 11.286 -11.015 -1.455 475 1HB ALA 70 1HB ALA 70 10.547 -13.268 -0.857 476 2HB ALA 70 2HB ALA 70 8.958 -12.961 -1.555 477 3HB ALA 70 3HB ALA 70 9.464 -12.098 -0.101 478 H PHE 71 H PHE 71 9.383 -10.935 -4.149 479 HA PHE 71 HA PHE 71 11.040 -12.618 -5.725 480 1HB PHE 71 2HB PHE 71 9.467 -10.126 -6.500 481 2HB PHE 71 1HB PHE 71 10.146 -11.292 -7.633 482 HD1 PHE 71 1HD PHE 71 7.356 -10.469 -5.530 483 HD2 PHE 71 2HD PHE 71 9.260 -13.639 -7.618 484 HE1 PHE 71 1HE PHE 71 5.285 -11.792 -5.407 485 HE2 PHE 71 2HE PHE 71 7.192 -14.964 -7.503 486 HZ PHE 71 HZ PHE 71 5.202 -14.038 -6.393 487 H GLY 72 H GLY 72 11.157 -9.526 -4.276 488 1HA GLY 72 2HA GLY 72 12.997 -8.580 -3.486 489 2HA GLY 72 1HA GLY 72 13.987 -9.478 -4.590 490 H GLN 73 H GLN 73 11.296 -7.820 -5.927 491 HA GLN 73 HA GLN 73 12.959 -5.598 -6.854 492 1HB GLN 73 2HB GLN 73 10.099 -6.355 -7.565 493 2HB GLN 73 1HB GLN 73 10.921 -4.951 -8.192 494 1HG GLN 73 2HG GLN 73 10.834 -6.654 -9.866 495 2HG GLN 73 1HG GLN 73 12.501 -6.443 -9.356 496 1HE2 GLN 73 1HE2 GLN 73 9.682 -8.542 -9.192 497 2HE2 GLN 73 2HE2 GLN 73 10.581 -9.957 -8.796 498 H GLU 74 H GLU 74 12.037 -3.354 -6.557 499 HA GLU 74 HA GLU 74 10.293 -3.331 -4.230 500 1HB GLU 74 2HB GLU 74 11.431 -1.449 -3.289 501 2HB GLU 74 1HB GLU 74 12.597 -2.720 -3.587 502 1HG GLU 74 2HG GLU 74 12.137 -0.376 -5.367 503 2HG GLU 74 1HG GLU 74 13.362 -0.406 -4.100 504 H THR 75 H THR 75 9.332 -1.143 -3.882 505 HA THR 75 HA THR 75 8.645 0.386 -6.191 506 HB THR 75 HB THR 75 6.930 -1.605 -4.811 507 HG1 THR 75 1HG THR 75 6.826 -2.427 -6.707 508 1HG2 THR 75 1HG2 THR 75 5.797 0.965 -5.928 509 2HG2 THR 75 2HG2 THR 75 5.664 0.284 -4.282 510 3HG2 THR 75 3HG2 THR 75 4.844 -0.497 -5.618 511 H ASN 76 H ASN 76 8.295 2.383 -5.394 512 HA ASN 76 HA ASN 76 7.266 2.716 -2.703 513 1HB ASN 76 2HB ASN 76 9.036 4.640 -2.330 514 2HB ASN 76 1HB ASN 76 9.488 2.980 -1.984 515 1HD2 ASN 76 1HD2 ASN 76 11.189 2.004 -3.175 516 2HD2 ASN 76 2HD2 ASN 76 12.086 2.853 -4.349 517 H VAL 77 H VAL 77 5.365 3.446 -3.508 518 HA VAL 77 HA VAL 77 5.615 6.046 -4.798 519 HB VAL 77 HB VAL 77 6.188 5.128 -6.298 520 1HG1 VAL 77 1HG1 VAL 77 5.578 2.715 -6.097 521 2HG1 VAL 77 2HG1 VAL 77 4.992 3.124 -7.712 522 3HG1 VAL 77 3HG1 VAL 77 3.874 3.093 -6.348 523 1HG2 VAL 77 1HG2 VAL 77 4.758 6.710 -7.266 524 2HG2 VAL 77 2HG2 VAL 77 3.352 5.651 -7.149 525 3HG2 VAL 77 3HG2 VAL 77 4.585 5.350 -8.375 526 HA PRO 78 HA PRO 78 1.785 7.753 -3.555 527 1HB PRO 78 2HB PRO 78 2.277 8.993 -6.218 528 2HB PRO 78 1HB PRO 78 1.822 9.758 -4.689 529 1HG PRO 78 2HG PRO 78 4.323 9.889 -5.576 530 2HG PRO 78 1HG PRO 78 3.976 9.680 -3.851 531 1HD PRO 78 2HD PRO 78 4.957 7.666 -5.825 532 2HD PRO 78 1HD PRO 78 5.267 7.698 -4.098 533 H LEU 79 H LEU 79 0.318 6.459 -3.653 534 HA LEU 79 HA LEU 79 -0.690 5.458 -6.189 535 1HB LEU 79 2HB LEU 79 -1.619 3.602 -4.765 536 2HB LEU 79 1HB LEU 79 0.127 3.881 -4.658 537 HG LEU 79 HG LEU 79 -0.025 4.809 -2.481 538 1HD1 LEU 79 1HD1 LEU 79 -2.269 5.827 -2.568 539 2HD1 LEU 79 2HD1 LEU 79 -2.109 4.749 -1.180 540 3HD1 LEU 79 3HD1 LEU 79 -2.995 4.219 -2.610 541 1HD2 LEU 79 1HD2 LEU 79 0.254 2.436 -2.702 542 2HD2 LEU 79 2HD2 LEU 79 -1.491 2.202 -2.766 543 3HD2 LEU 79 3HD2 LEU 79 -0.733 2.789 -1.283 544 H ASN 80 H ASN 80 -1.055 8.053 -5.165 545 HA ASN 80 HA ASN 80 -3.309 8.620 -3.641 546 1HB ASN 80 2HB ASN 80 -1.743 10.324 -3.833 547 2HB ASN 80 1HB ASN 80 -1.685 10.240 -5.577 548 1HD2 ASN 80 1HD2 ASN 80 -3.351 11.519 -2.807 549 2HD2 ASN 80 2HD2 ASN 80 -4.343 12.627 -3.672 550 H ASN 81 H ASN 81 -3.140 7.835 -6.866 551 HA ASN 81 HA ASN 81 -5.706 9.093 -7.519 552 1HB ASN 81 2HB ASN 81 -3.705 9.085 -9.055 553 2HB ASN 81 1HB ASN 81 -4.013 7.376 -9.313 554 1HD2 ASN 81 1HD2 ASN 81 -5.035 10.529 -9.810 555 2HD2 ASN 81 2HD2 ASN 81 -6.228 10.240 -11.046 556 H PHE 82 H PHE 82 -4.651 6.017 -6.430 557 HA PHE 82 HA PHE 82 -6.893 4.691 -7.683 558 1HB PHE 82 2HB PHE 82 -4.596 3.579 -6.067 559 2HB PHE 82 1HB PHE 82 -5.860 2.639 -6.843 560 HD1 PHE 82 1HD PHE 82 -5.952 2.522 -9.323 561 HD2 PHE 82 2HD PHE 82 -2.713 4.358 -7.260 562 HE1 PHE 82 1HE PHE 82 -4.568 2.350 -11.349 563 HE2 PHE 82 2HE PHE 82 -1.326 4.195 -9.283 564 HZ PHE 82 HZ PHE 82 -2.254 3.191 -11.333 565 H SER 83 H SER 83 -8.345 3.813 -6.644 566 HA SER 83 HA SER 83 -9.091 4.861 -4.054 567 1HB SER 83 2HB SER 83 -10.467 3.093 -6.036 568 2HB SER 83 1HB SER 83 -11.263 3.771 -4.597 569 HG SER 83 HG SER 83 -10.300 5.837 -5.605 570 H ALA 84 H ALA 84 -10.327 3.192 -2.585 571 HA ALA 84 HA ALA 84 -8.612 1.819 -1.094 572 1HB ALA 84 1HB ALA 84 -10.514 0.614 -0.145 573 2HB ALA 84 2HB ALA 84 -11.512 1.203 -1.486 574 3HB ALA 84 3HB ALA 84 -10.741 2.343 -0.369 575 H ASP 85 H ASP 85 -10.944 0.231 -3.226 576 HA ASP 85 HA ASP 85 -9.921 -2.387 -2.836 577 1HB ASP 85 2HB ASP 85 -11.884 -1.372 -4.913 578 2HB ASP 85 1HB ASP 85 -11.552 -3.069 -4.588 579 H GLN 86 H GLN 86 -9.728 -0.056 -5.466 580 HA GLN 86 HA GLN 86 -8.120 -1.601 -7.208 581 1HB GLN 86 2HB GLN 86 -8.919 1.195 -7.046 582 2HB GLN 86 1HB GLN 86 -7.275 0.986 -7.632 583 1HG GLN 86 2HG GLN 86 -9.682 -0.400 -8.793 584 2HG GLN 86 1HG GLN 86 -8.982 1.088 -9.423 585 1HE2 GLN 86 1HE2 GLN 86 -6.212 0.215 -8.938 586 2HE2 GLN 86 2HE2 GLN 86 -5.891 -0.980 -10.144 587 H VAL 87 H VAL 87 -6.970 0.628 -4.649 588 HA VAL 87 HA VAL 87 -4.337 -0.020 -5.330 589 HB VAL 87 HB VAL 87 -3.600 0.643 -3.024 590 1HG1 VAL 87 1HG1 VAL 87 -4.181 2.988 -3.176 591 2HG1 VAL 87 2HG1 VAL 87 -5.421 2.594 -4.369 592 3HG1 VAL 87 3HG1 VAL 87 -3.718 2.312 -4.736 593 1HG2 VAL 87 1HG2 VAL 87 -5.151 1.675 -1.528 594 2HG2 VAL 87 2HG2 VAL 87 -5.480 -0.039 -1.773 595 3HG2 VAL 87 3HG2 VAL 87 -6.500 1.178 -2.561 596 H THR 88 H THR 88 -6.468 -1.637 -2.952 597 HA THR 88 HA THR 88 -4.419 -3.399 -2.240 598 HB THR 88 HB THR 88 -6.251 -4.957 -1.441 599 HG1 THR 88 1HG THR 88 -7.758 -3.340 -2.994 600 1HG2 THR 88 1HG2 THR 88 -6.824 -3.445 0.376 601 2HG2 THR 88 2HG2 THR 88 -6.231 -2.081 -0.575 602 3HG2 THR 88 3HG2 THR 88 -5.114 -3.338 -0.042 603 H ARG 89 H ARG 89 -6.604 -3.707 -4.771 604 HA ARG 89 HA ARG 89 -5.734 -6.398 -5.435 605 1HB ARG 89 2HB ARG 89 -8.052 -5.623 -5.965 606 2HB ARG 89 1HB ARG 89 -7.381 -4.492 -7.127 607 1HG ARG 89 2HG ARG 89 -6.470 -6.384 -8.410 608 2HG ARG 89 1HG ARG 89 -7.210 -7.497 -7.262 609 1HD ARG 89 2HD ARG 89 -8.619 -7.294 -9.207 610 2HD ARG 89 1HD ARG 89 -9.421 -6.557 -7.821 611 HE ARG 89 HE ARG 89 -7.893 -4.696 -9.362 612 1HH1 ARG 89 1HH1 ARG 89 -11.081 -6.267 -9.109 613 2HH1 ARG 89 2HH1 ARG 89 -11.855 -5.131 -10.125 614 1HH2 ARG 89 1HH2 ARG 89 -9.035 -3.080 -10.626 615 2HH2 ARG 89 2HH2 ARG 89 -10.681 -3.273 -10.984 616 H ALA 90 H ALA 90 -5.196 -3.132 -6.769 617 HA ALA 90 HA ALA 90 -3.376 -3.953 -8.803 618 1HB ALA 90 1HB ALA 90 -2.589 -1.651 -8.842 619 2HB ALA 90 2HB ALA 90 -3.365 -1.331 -7.291 620 3HB ALA 90 3HB ALA 90 -4.349 -1.666 -8.716 621 H LEU 91 H LEU 91 -2.877 -3.211 -5.364 622 HA LEU 91 HA LEU 91 -0.119 -3.566 -5.274 623 1HB LEU 91 2HB LEU 91 -2.260 -4.223 -3.208 624 2HB LEU 91 1HB LEU 91 -0.709 -4.941 -3.079 625 HG LEU 91 HG LEU 91 0.408 -2.827 -2.832 626 1HD1 LEU 91 1HD1 LEU 91 -0.799 -0.734 -2.605 627 2HD1 LEU 91 2HD1 LEU 91 -2.294 -1.544 -3.081 628 3HD1 LEU 91 3HD1 LEU 91 -0.960 -1.410 -4.225 629 1HD2 LEU 91 1HD2 LEU 91 -0.523 -2.164 -0.679 630 2HD2 LEU 91 2HD2 LEU 91 -0.445 -3.920 -0.854 631 3HD2 LEU 91 3HD2 LEU 91 -1.986 -3.083 -1.036 632 H GLU 92 H GLU 92 -2.651 -5.986 -4.908 633 HA GLU 92 HA GLU 92 -0.818 -8.152 -4.862 634 1HB GLU 92 2HB GLU 92 -3.360 -8.241 -4.172 635 2HB GLU 92 1HB GLU 92 -3.644 -8.224 -5.860 636 1HG GLU 92 2HG GLU 92 -2.640 -10.289 -6.294 637 2HG GLU 92 1HG GLU 92 -1.995 -10.392 -4.657 638 H ASN 93 H ASN 93 -2.438 -6.709 -7.498 639 HA ASN 93 HA ASN 93 -1.617 -8.343 -9.584 640 1HB ASN 93 2HB ASN 93 -2.236 -5.441 -9.276 641 2HB ASN 93 1HB ASN 93 -1.636 -5.914 -10.830 642 1HD2 ASN 93 1HD2 ASN 93 -3.691 -7.914 -8.802 643 2HD2 ASN 93 2HD2 ASN 93 -5.091 -7.846 -9.800 644 H VAL 94 H VAL 94 -0.056 -5.328 -8.524 645 HA VAL 94 HA VAL 94 2.246 -5.699 -10.052 646 HB VAL 94 HB VAL 94 3.324 -4.158 -8.675 647 1HG1 VAL 94 1HG1 VAL 94 1.877 -2.154 -9.438 648 2HG1 VAL 94 2HG1 VAL 94 0.593 -3.321 -9.751 649 3HG1 VAL 94 3HG1 VAL 94 2.095 -3.395 -10.673 650 1HG2 VAL 94 1HG2 VAL 94 2.326 -4.299 -6.542 651 2HG2 VAL 94 2HG2 VAL 94 0.742 -3.848 -7.173 652 3HG2 VAL 94 3HG2 VAL 94 2.039 -2.655 -7.113 653 H LEU 95 H LEU 95 1.681 -6.565 -6.767 654 HA LEU 95 HA LEU 95 4.477 -7.172 -6.812 655 1HB LEU 95 2HB LEU 95 4.274 -7.424 -4.298 656 2HB LEU 95 1HB LEU 95 4.118 -5.844 -5.039 657 HG LEU 95 HG LEU 95 1.700 -6.274 -5.013 658 1HD1 LEU 95 1HD1 LEU 95 0.821 -7.630 -3.134 659 2HD1 LEU 95 2HD1 LEU 95 2.445 -8.283 -2.911 660 3HD1 LEU 95 3HD1 LEU 95 1.575 -8.576 -4.417 661 1HD2 LEU 95 1HD2 LEU 95 1.443 -5.351 -2.756 662 2HD2 LEU 95 2HD2 LEU 95 2.667 -4.553 -3.749 663 3HD2 LEU 95 3HD2 LEU 95 3.152 -5.679 -2.481 664 H SER 96 H SER 96 1.587 -8.941 -6.488 665 HA SER 96 HA SER 96 3.211 -11.112 -5.711 666 1HB SER 96 2HB SER 96 0.242 -11.057 -6.323 667 2HB SER 96 1HB SER 96 1.112 -12.475 -5.733 668 HG SER 96 HG SER 96 0.039 -11.168 -4.117 669 H GLY 97 H GLY 97 2.213 -9.644 -8.752 670 1HA GLY 97 2HA GLY 97 3.884 -11.653 -9.943 671 2HA GLY 97 1HA GLY 97 2.212 -11.763 -10.425 672 H LYS 98 H LYS 98 3.598 -8.486 -9.905 673 HA LYS 98 HA LYS 98 3.383 -8.404 -12.846 674 1HB LYS 98 2HB LYS 98 1.988 -6.794 -11.360 675 2HB LYS 98 1HB LYS 98 3.493 -5.962 -11.122 676 1HG LYS 98 2HG LYS 98 2.299 -6.401 -13.856 677 2HG LYS 98 1HG LYS 98 1.998 -4.971 -12.875 678 1HD LYS 98 2HD LYS 98 4.389 -4.448 -12.918 679 2HD LYS 98 1HD LYS 98 4.694 -5.910 -13.856 680 1HE LYS 98 2HE LYS 98 2.968 -3.597 -14.732 681 2HE LYS 98 1HE LYS 98 4.625 -3.887 -15.253 682 1HZ LYS 98 1HZ LYS 98 3.883 -5.998 -16.215 683 2HZ LYS 98 2HZ LYS 98 3.110 -4.677 -16.904 684 3HZ LYS 98 3HZ LYS 98 2.280 -5.658 -15.806 685 H ALA 99 H ALA 99 5.101 -6.989 -10.421 686 HA ALA 99 HA ALA 99 7.392 -6.499 -12.177 687 1HB ALA 99 1HB ALA 99 8.240 -5.047 -10.413 688 2HB ALA 99 2HB ALA 99 6.957 -5.618 -9.334 689 3HB ALA 99 3HB ALA 99 6.540 -4.684 -10.759 Start of MODEL 14 1 H GLY 15 H GLY 15 2.973 -11.064 -1.371 2 1HA GLY 15 1HA GLY 15 4.039 -13.139 -3.215 3 2HA GLY 15 2HA GLY 15 3.318 -11.622 -3.743 4 H LEU 16 H LEU 16 4.997 -11.187 -0.804 5 HA LEU 16 HA LEU 16 7.437 -10.581 -2.010 6 1HB LEU 16 2HB LEU 16 7.244 -8.132 -1.313 7 2HB LEU 16 1HB LEU 16 6.652 -8.650 -2.860 8 HG LEU 16 HG LEU 16 4.394 -8.258 -2.235 9 1HD1 LEU 16 1HD1 LEU 16 4.409 -9.275 -0.052 10 2HD1 LEU 16 2HD1 LEU 16 3.683 -7.668 -0.021 11 3HD1 LEU 16 3HD1 LEU 16 5.332 -7.909 0.602 12 1HD2 LEU 16 1HD2 LEU 16 4.460 -5.952 -1.509 13 2HD2 LEU 16 2HD2 LEU 16 5.711 -6.297 -2.704 14 3HD2 LEU 16 3HD2 LEU 16 6.136 -6.155 -0.998 15 H ARG 17 H ARG 17 8.629 -9.031 -0.390 16 HA ARG 17 HA ARG 17 8.485 -10.487 2.073 17 1HB ARG 17 2HB ARG 17 10.546 -8.542 1.037 18 2HB ARG 17 1HB ARG 17 10.646 -9.365 2.586 19 1HG ARG 17 2HG ARG 17 10.626 -11.533 1.366 20 2HG ARG 17 1HG ARG 17 10.695 -10.621 -0.149 21 1HD ARG 17 2HD ARG 17 12.816 -9.624 0.546 22 2HD ARG 17 1HD ARG 17 12.731 -10.472 2.086 23 HE ARG 17 HE ARG 17 12.603 -12.344 -0.007 24 1HH1 ARG 17 1HH1 ARG 17 14.978 -10.297 1.732 25 2HH1 ARG 17 2HH1 ARG 17 16.319 -11.152 1.155 26 1HH2 ARG 17 1HH2 ARG 17 14.487 -13.492 -0.773 27 2HH2 ARG 17 2HH2 ARG 17 16.059 -13.023 -0.290 28 H GLU 18 H GLU 18 7.828 -7.269 0.773 29 HA GLU 18 HA GLU 18 6.368 -6.751 3.227 30 1HB GLU 18 2HB GLU 18 7.519 -4.670 3.828 31 2HB GLU 18 1HB GLU 18 8.447 -6.139 4.237 32 1HG GLU 18 2HG GLU 18 9.725 -5.502 2.020 33 2HG GLU 18 1HG GLU 18 8.817 -4.018 2.153 34 H ILE 19 H ILE 19 4.762 -5.173 3.104 35 HA ILE 19 HA ILE 19 5.141 -3.042 1.133 36 HB ILE 19 HB ILE 19 2.623 -4.371 2.128 37 1HG1 ILE 19 2HG1 ILE 19 3.671 -5.102 -0.001 38 2HG1 ILE 19 1HG1 ILE 19 2.007 -4.565 -0.164 39 1HG2 ILE 19 1HG2 ILE 19 1.227 -2.575 1.185 40 2HG2 ILE 19 2HG2 ILE 19 2.677 -1.610 0.917 41 3HG2 ILE 19 3HG2 ILE 19 2.194 -2.035 2.561 42 1HD1 ILE 19 1HD1 ILE 19 2.787 -2.425 -1.031 43 2HD1 ILE 19 2HD1 ILE 19 3.371 -3.781 -1.999 44 3HD1 ILE 19 3HD1 ILE 19 4.456 -2.971 -0.867 45 H ARG 20 H ARG 20 5.439 -1.210 1.951 46 HA ARG 20 HA ARG 20 4.614 -0.664 4.707 47 1HB ARG 20 2HB ARG 20 7.291 -0.121 3.454 48 2HB ARG 20 1HB ARG 20 6.726 0.796 4.838 49 1HG ARG 20 2HG ARG 20 6.609 -1.212 6.170 50 2HG ARG 20 1HG ARG 20 7.047 -2.194 4.771 51 1HD ARG 20 2HD ARG 20 9.227 -1.392 4.736 52 2HD ARG 20 1HD ARG 20 8.820 0.028 5.698 53 HE ARG 20 HE ARG 20 8.338 -1.864 7.454 54 1HH1 ARG 20 1HH1 ARG 20 10.971 -2.059 5.160 55 2HH1 ARG 20 2HH1 ARG 20 12.172 -2.439 6.306 56 1HH2 ARG 20 1HH2 ARG 20 9.887 -2.434 9.049 57 2HH2 ARG 20 2HH2 ARG 20 11.539 -2.619 8.634 58 H ILE 21 H ILE 21 3.085 0.695 4.483 59 HA ILE 21 HA ILE 21 2.957 2.539 2.238 60 HB ILE 21 HB ILE 21 1.040 3.121 4.199 61 1HG1 ILE 21 2HG1 ILE 21 0.994 0.174 3.492 62 2HG1 ILE 21 1HG1 ILE 21 1.524 0.816 5.044 63 1HG2 ILE 21 1HG2 ILE 21 -0.558 2.436 2.396 64 2HG2 ILE 21 2HG2 ILE 21 0.800 1.748 1.503 65 3HG2 ILE 21 3HG2 ILE 21 0.737 3.482 1.810 66 1HD1 ILE 21 1HD1 ILE 21 -0.753 0.023 5.192 67 2HD1 ILE 21 2HD1 ILE 21 -1.207 1.074 3.840 68 3HD1 ILE 21 3HD1 ILE 21 -0.693 1.786 5.361 69 H HIS 22 H HIS 22 3.304 4.639 2.440 70 HA HIS 22 HA HIS 22 3.709 5.784 5.119 71 1HB HIS 22 2HB HIS 22 4.435 6.852 2.376 72 2HB HIS 22 1HB HIS 22 4.444 7.860 3.808 73 HD1 HIS 22 1HD HIS 22 6.796 6.400 1.723 74 HD2 HIS 22 2HD HIS 22 6.221 6.267 5.851 75 HE1 HIS 22 1HE HIS 22 9.026 5.879 2.710 76 HE2 HIS 22 2HE HIS 22 8.672 5.869 5.216 77 H LEU 23 H LEU 23 1.993 6.660 5.944 78 HA LEU 23 HA LEU 23 -0.245 7.455 4.320 79 1HB LEU 23 2HB LEU 23 -0.507 5.968 6.275 80 2HB LEU 23 1HB LEU 23 0.146 7.201 7.321 81 HG LEU 23 HG LEU 23 -1.851 8.567 7.010 82 1HD1 LEU 23 1HD1 LEU 23 -3.777 7.753 5.771 83 2HD1 LEU 23 2HD1 LEU 23 -2.834 6.369 5.216 84 3HD1 LEU 23 3HD1 LEU 23 -2.378 8.003 4.725 85 1HD2 LEU 23 1HD2 LEU 23 -3.480 7.116 8.117 86 2HD2 LEU 23 2HD2 LEU 23 -1.865 6.910 8.794 87 3HD2 LEU 23 3HD2 LEU 23 -2.517 5.703 7.683 88 H CYS 24 H CYS 24 -0.996 9.309 6.640 89 HA CYS 24 HA CYS 24 -0.765 11.310 7.512 90 1HB CYS 24 2HB CYS 24 1.503 11.823 5.587 91 2HB CYS 24 1HB CYS 24 0.811 13.076 6.605 92 H GLN 25 H GLN 25 -2.153 12.779 7.310 93 HA GLN 25 HA GLN 25 -3.227 13.394 4.647 94 1HB GLN 25 2HB GLN 25 -4.356 13.979 7.418 95 2HB GLN 25 1HB GLN 25 -5.144 14.369 5.901 96 1HG GLN 25 2HG GLN 25 -4.512 11.577 6.840 97 2HG GLN 25 1HG GLN 25 -6.064 12.376 7.043 98 1HE2 GLN 25 1HE2 GLN 25 -6.004 13.640 4.370 99 2HE2 GLN 25 2HE2 GLN 25 -6.316 12.355 3.268 100 H ARG 26 H ARG 26 -1.191 14.466 4.438 101 HA ARG 26 HA ARG 26 -0.667 16.807 6.132 102 1HB ARG 26 2HB ARG 26 0.956 14.861 5.786 103 2HB ARG 26 1HB ARG 26 1.130 15.419 4.144 104 1HG ARG 26 2HG ARG 26 1.851 17.016 6.598 105 2HG ARG 26 1HG ARG 26 2.975 16.045 5.664 106 1HD ARG 26 2HD ARG 26 2.405 17.498 3.689 107 2HD ARG 26 1HD ARG 26 1.512 18.532 4.808 108 HE ARG 26 HE ARG 26 4.346 17.913 5.235 109 1HH1 ARG 26 1HH1 ARG 26 1.809 20.343 4.821 110 2HH1 ARG 26 2HH1 ARG 26 2.812 21.659 5.189 111 1HH2 ARG 26 1HH2 ARG 26 5.716 19.630 5.652 112 2HH2 ARG 26 2HH2 ARG 26 5.177 21.265 5.623 113 H SER 27 H SER 27 -0.391 15.784 2.755 114 HA SER 27 HA SER 27 -0.576 18.551 1.877 115 1HB SER 27 2HB SER 27 0.426 16.002 0.575 116 2HB SER 27 1HB SER 27 0.453 17.593 -0.190 117 HG SER 27 HG SER 27 2.451 16.877 0.932 118 HA PRO 28 HA PRO 28 -4.125 18.603 -1.124 119 1HB PRO 28 2HB PRO 28 -2.625 16.322 -2.431 120 2HB PRO 28 1HB PRO 28 -3.779 17.453 -3.200 121 1HG PRO 28 2HG PRO 28 -1.112 17.885 -3.106 122 2HG PRO 28 1HG PRO 28 -2.290 19.209 -3.043 123 1HD PRO 28 2HD PRO 28 -0.443 18.388 -0.974 124 2HD PRO 28 1HD PRO 28 -1.634 19.702 -0.907 125 H GLY 29 H GLY 29 -3.575 15.059 -1.183 126 1HA GLY 29 2HA GLY 29 -4.970 14.105 0.847 127 2HA GLY 29 1HA GLY 29 -6.273 14.780 -0.119 128 H SER 30 H SER 30 -6.029 12.070 0.565 129 HA SER 30 HA SER 30 -6.232 10.938 -2.012 130 1HB SER 30 2HB SER 30 -4.148 9.746 -0.164 131 2HB SER 30 1HB SER 30 -4.747 9.123 -1.707 132 HG SER 30 HG SER 30 -4.016 11.633 -2.096 133 H GLN 31 H GLN 31 -7.910 9.930 -1.923 134 HA GLN 31 HA GLN 31 -9.073 9.347 0.687 135 1HB GLN 31 2HB GLN 31 -11.246 9.560 -0.370 136 2HB GLN 31 1HB GLN 31 -10.272 10.985 -0.687 137 1HG GLN 31 2HG GLN 31 -9.713 9.962 -2.910 138 2HG GLN 31 1HG GLN 31 -10.949 8.752 -2.562 139 1HE2 GLN 31 1HE2 GLN 31 -10.276 11.995 -3.327 140 2HE2 GLN 31 2HE2 GLN 31 -11.905 12.476 -3.681 141 H GLY 32 H GLY 32 -8.342 8.034 -2.466 142 1HA GLY 32 2HA GLY 32 -9.554 5.533 -2.096 143 2HA GLY 32 1HA GLY 32 -8.198 5.877 -3.172 144 H VAL 33 H VAL 33 -6.536 6.943 -1.140 145 HA VAL 33 HA VAL 33 -5.569 4.391 -0.242 146 HB VAL 33 HB VAL 33 -3.912 6.259 -0.812 147 1HG1 VAL 33 1HG1 VAL 33 -3.230 7.786 0.959 148 2HG1 VAL 33 2HG1 VAL 33 -4.591 7.247 1.945 149 3HG1 VAL 33 3HG1 VAL 33 -4.885 8.096 0.428 150 1HG2 VAL 33 1HG2 VAL 33 -3.184 4.215 0.226 151 2HG2 VAL 33 2HG2 VAL 33 -3.594 4.854 1.823 152 3HG2 VAL 33 3HG2 VAL 33 -2.295 5.592 0.882 153 H ARG 34 H ARG 34 -6.751 7.273 1.453 154 HA ARG 34 HA ARG 34 -6.934 6.322 3.992 155 1HB ARG 34 2HB ARG 34 -7.758 8.532 2.871 156 2HB ARG 34 1HB ARG 34 -9.278 7.710 2.893 157 1HG ARG 34 2HG ARG 34 -9.285 7.281 5.171 158 2HG ARG 34 1HG ARG 34 -7.643 7.881 5.392 159 1HD ARG 34 2HD ARG 34 -8.513 10.138 4.679 160 2HD ARG 34 1HD ARG 34 -10.140 9.448 4.782 161 HE ARG 34 HE ARG 34 -8.621 8.919 7.105 162 1HH1 ARG 34 1HH1 ARG 34 -10.651 11.453 5.625 163 2HH1 ARG 34 2HH1 ARG 34 -10.903 12.259 7.099 164 1HH2 ARG 34 1HH2 ARG 34 -9.011 10.032 9.104 165 2HH2 ARG 34 2HH2 ARG 34 -9.956 11.426 9.129 166 H ASP 35 H ASP 35 -9.224 5.833 1.422 167 HA ASP 35 HA ASP 35 -11.133 4.274 2.803 168 1HB ASP 35 2HB ASP 35 -10.171 4.257 -0.034 169 2HB ASP 35 1HB ASP 35 -11.225 2.997 0.410 170 H PHE 36 H PHE 36 -8.385 3.233 0.993 171 HA PHE 36 HA PHE 36 -8.453 0.650 1.831 172 1HB PHE 36 2HB PHE 36 -6.834 0.985 0.090 173 2HB PHE 36 1HB PHE 36 -6.419 2.534 0.737 174 HD1 PHE 36 1HD PHE 36 -5.290 -0.669 -0.002 175 HD2 PHE 36 2HD PHE 36 -4.940 2.343 2.997 176 HE1 PHE 36 1HE PHE 36 -3.088 -1.511 0.589 177 HE2 PHE 36 2HE PHE 36 -2.735 1.464 3.590 178 HZ PHE 36 HZ PHE 36 -1.799 -0.455 2.386 179 H ILE 37 H ILE 37 -6.781 3.233 3.261 180 HA ILE 37 HA ILE 37 -5.542 2.037 5.493 181 HB ILE 37 HB ILE 37 -6.827 4.706 5.709 182 1HG1 ILE 37 2HG1 ILE 37 -5.567 5.046 3.660 183 2HG1 ILE 37 1HG1 ILE 37 -4.759 5.823 4.975 184 1HG2 ILE 37 1HG2 ILE 37 -5.913 3.999 7.775 185 2HG2 ILE 37 2HG2 ILE 37 -4.890 5.299 7.165 186 3HG2 ILE 37 3HG2 ILE 37 -4.360 3.623 7.030 187 1HD1 ILE 37 1HD1 ILE 37 -3.306 4.750 3.430 188 2HD1 ILE 37 2HD1 ILE 37 -3.934 3.167 3.911 189 3HD1 ILE 37 3HD1 ILE 37 -3.063 4.183 5.089 190 H GLU 38 H GLU 38 -8.970 2.851 5.135 191 HA GLU 38 HA GLU 38 -9.349 2.770 8.085 192 1HB GLU 38 2HB GLU 38 -11.150 3.893 5.933 193 2HB GLU 38 1HB GLU 38 -11.541 3.829 7.636 194 1HG GLU 38 2HG GLU 38 -9.274 5.376 6.424 195 2HG GLU 38 1HG GLU 38 -10.846 6.036 6.848 196 H LYS 39 H LYS 39 -10.943 2.032 5.129 197 HA LYS 39 HA LYS 39 -12.938 0.358 6.349 198 1HB LYS 39 2HB LYS 39 -12.301 1.346 3.621 199 2HB LYS 39 1HB LYS 39 -13.759 0.433 4.011 200 1HG LYS 39 2HG LYS 39 -14.645 2.162 5.345 201 2HG LYS 39 1HG LYS 39 -13.086 2.962 5.497 202 1HD LYS 39 2HD LYS 39 -14.618 4.189 4.030 203 2HD LYS 39 1HD LYS 39 -13.184 3.640 3.171 204 1HE LYS 39 2HE LYS 39 -14.453 1.804 2.207 205 2HE LYS 39 1HE LYS 39 -15.884 2.304 3.113 206 1HZ LYS 39 1HZ LYS 39 -15.813 3.099 0.748 207 2HZ LYS 39 2HZ LYS 39 -14.487 4.070 1.200 208 3HZ LYS 39 3HZ LYS 39 -15.978 4.319 1.904 209 H ARG 40 H ARG 40 -10.066 0.143 4.348 210 HA ARG 40 HA ARG 40 -10.881 -2.541 3.604 211 1HB ARG 40 2HB ARG 40 -10.798 -0.857 1.868 212 2HB ARG 40 1HB ARG 40 -9.137 -0.495 2.279 213 1HG ARG 40 2HG ARG 40 -9.125 -1.781 0.331 214 2HG ARG 40 1HG ARG 40 -8.572 -2.787 1.673 215 1HD ARG 40 2HD ARG 40 -10.651 -3.951 1.760 216 2HD ARG 40 1HD ARG 40 -11.400 -2.821 0.622 217 HE ARG 40 HE ARG 40 -9.303 -3.731 -0.755 218 1HH1 ARG 40 1HH1 ARG 40 -12.002 -5.493 0.829 219 2HH1 ARG 40 2HH1 ARG 40 -11.832 -6.817 -0.225 220 1HH2 ARG 40 1HH2 ARG 40 -9.145 -5.515 -2.096 221 2HH2 ARG 40 2HH2 ARG 40 -10.161 -6.884 -1.880 222 H TYR 41 H TYR 41 -8.571 -0.704 5.369 223 HA TYR 41 HA TYR 41 -6.152 -1.936 5.075 224 1HB TYR 41 2HB TYR 41 -6.805 -0.090 6.761 225 2HB TYR 41 1HB TYR 41 -7.295 -1.389 7.772 226 HD1 TYR 41 1HD TYR 41 -5.855 -2.629 9.100 227 HD2 TYR 41 2HD TYR 41 -4.256 0.042 6.208 228 HE1 TYR 41 1HE TYR 41 -3.678 -2.911 10.098 229 HE2 TYR 41 2HE TYR 41 -2.020 -0.223 7.201 230 HH TYR 41 HH TYR 41 -1.050 -0.858 9.354 231 H VAL 42 H VAL 42 -7.994 -3.113 7.792 232 HA VAL 42 HA VAL 42 -6.433 -5.414 8.014 233 HB VAL 42 HB VAL 42 -7.532 -4.564 9.924 234 1HG1 VAL 42 1HG1 VAL 42 -9.946 -4.310 10.133 235 2HG1 VAL 42 2HG1 VAL 42 -10.129 -4.872 8.456 236 3HG1 VAL 42 3HG1 VAL 42 -9.233 -3.376 8.804 237 1HG2 VAL 42 1HG2 VAL 42 -8.853 -6.465 10.774 238 2HG2 VAL 42 2HG2 VAL 42 -7.398 -7.000 9.933 239 3HG2 VAL 42 3HG2 VAL 42 -8.966 -7.102 9.133 240 H GLU 43 H GLU 43 -9.135 -4.641 6.123 241 HA GLU 43 HA GLU 43 -9.862 -7.344 5.348 242 1HB GLU 43 2HB GLU 43 -11.422 -5.339 5.382 243 2HB GLU 43 1HB GLU 43 -10.517 -4.719 4.012 244 1HG GLU 43 2HG GLU 43 -11.157 -6.609 2.677 245 2HG GLU 43 1HG GLU 43 -11.951 -7.357 4.062 246 H LEU 44 H LEU 44 -7.432 -4.942 4.162 247 HA LEU 44 HA LEU 44 -7.205 -6.783 1.940 248 1HB LEU 44 2HB LEU 44 -5.763 -5.303 0.857 249 2HB LEU 44 1HB LEU 44 -6.919 -4.279 1.673 250 HG LEU 44 HG LEU 44 -4.533 -4.662 3.268 251 1HD1 LEU 44 1HD1 LEU 44 -3.094 -3.362 1.811 252 2HD1 LEU 44 2HD1 LEU 44 -4.312 -3.432 0.535 253 3HD1 LEU 44 3HD1 LEU 44 -3.515 -4.911 1.078 254 1HD2 LEU 44 1HD2 LEU 44 -5.891 -2.271 2.053 255 2HD2 LEU 44 2HD2 LEU 44 -4.666 -2.243 3.321 256 3HD2 LEU 44 3HD2 LEU 44 -6.249 -2.956 3.637 257 H LYS 45 H LYS 45 -5.922 -6.238 4.977 258 HA LYS 45 HA LYS 45 -3.578 -7.776 4.618 259 1HB LYS 45 2HB LYS 45 -3.955 -6.237 6.539 260 2HB LYS 45 1HB LYS 45 -5.179 -7.344 7.151 261 1HG LYS 45 2HG LYS 45 -3.540 -9.046 7.497 262 2HG LYS 45 1HG LYS 45 -2.299 -8.064 6.721 263 1HD LYS 45 2HD LYS 45 -2.503 -6.404 8.487 264 2HD LYS 45 1HD LYS 45 -3.759 -7.379 9.259 265 1HE LYS 45 2HE LYS 45 -2.190 -9.193 9.574 266 2HE LYS 45 1HE LYS 45 -0.935 -8.281 8.735 267 1HZ LYS 45 1HZ LYS 45 -0.759 -8.196 11.157 268 2HZ LYS 45 2HZ LYS 45 -2.248 -7.400 11.243 269 3HZ LYS 45 3HZ LYS 45 -0.929 -6.673 10.448 270 H LYS 46 H LYS 46 -6.888 -8.501 5.483 271 HA LYS 46 HA LYS 46 -6.404 -11.325 5.713 272 1HB LYS 46 2HB LYS 46 -8.731 -11.532 6.104 273 2HB LYS 46 1HB LYS 46 -8.279 -10.010 6.858 274 1HG LYS 46 2HG LYS 46 -9.074 -9.082 4.405 275 2HG LYS 46 1HG LYS 46 -9.865 -10.518 4.408 276 1HD LYS 46 2HD LYS 46 -10.293 -8.783 6.789 277 2HD LYS 46 1HD LYS 46 -11.329 -8.797 5.361 278 1HE LYS 46 2HE LYS 46 -10.720 -11.124 7.169 279 2HE LYS 46 1HE LYS 46 -12.236 -10.225 7.085 280 1HZ LYS 46 1HZ LYS 46 -12.460 -10.962 4.751 281 2HZ LYS 46 2HZ LYS 46 -12.435 -12.267 5.809 282 3HZ LYS 46 3HZ LYS 46 -11.076 -11.914 4.901 283 H ALA 47 H ALA 47 -7.293 -9.019 3.229 284 HA ALA 47 HA ALA 47 -8.464 -10.751 1.581 285 1HB ALA 47 1HB ALA 47 -8.779 -8.398 1.220 286 2HB ALA 47 2HB ALA 47 -8.142 -9.093 -0.277 287 3HB ALA 47 3HB ALA 47 -7.075 -8.199 0.798 288 H ASN 48 H ASN 48 -5.168 -9.634 1.977 289 HA ASN 48 HA ASN 48 -4.073 -11.462 0.038 290 1HB ASN 48 2HB ASN 48 -3.012 -8.642 0.601 291 2HB ASN 48 1HB ASN 48 -2.385 -9.785 -0.556 292 1HD2 ASN 48 1HD2 ASN 48 -3.198 -7.006 -0.968 293 2HD2 ASN 48 2HD2 ASN 48 -4.393 -6.985 -2.182 294 HA PRO 49 HA PRO 49 -2.866 -12.124 4.464 295 1HB PRO 49 2HB PRO 49 -2.414 -14.782 4.124 296 2HB PRO 49 1HB PRO 49 -4.043 -14.122 4.359 297 1HG PRO 49 2HG PRO 49 -2.605 -14.694 1.795 298 2HG PRO 49 1HG PRO 49 -4.190 -15.289 2.241 299 1HD PRO 49 2HD PRO 49 -3.993 -13.178 0.689 300 2HD PRO 49 1HD PRO 49 -5.134 -13.002 2.029 301 H ASP 50 H ASP 50 -1.487 -13.285 1.685 302 HA ASP 50 HA ASP 50 1.254 -13.550 2.670 303 1HB ASP 50 2HB ASP 50 0.195 -13.647 -0.163 304 2HB ASP 50 1HB ASP 50 1.873 -13.939 0.267 305 H LEU 51 H LEU 51 -0.198 -10.867 2.608 306 HA LEU 51 HA LEU 51 1.883 -9.390 1.198 307 1HB LEU 51 2HB LEU 51 -0.407 -9.315 0.218 308 2HB LEU 51 1HB LEU 51 -1.024 -8.561 1.650 309 HG LEU 51 HG LEU 51 0.899 -7.409 -0.381 310 1HD1 LEU 51 1HD1 LEU 51 -0.861 -5.827 -0.813 311 2HD1 LEU 51 2HD1 LEU 51 -1.894 -6.677 0.337 312 3HD1 LEU 51 3HD1 LEU 51 -1.345 -7.491 -1.128 313 1HD2 LEU 51 1HD2 LEU 51 0.762 -5.298 0.801 314 2HD2 LEU 51 2HD2 LEU 51 1.492 -6.545 1.815 315 3HD2 LEU 51 3HD2 LEU 51 -0.187 -6.065 2.073 316 HA PRO 52 HA PRO 52 2.692 -8.079 5.649 317 1HB PRO 52 2HB PRO 52 4.607 -6.628 3.979 318 2HB PRO 52 1HB PRO 52 4.785 -7.391 5.556 319 1HG PRO 52 2HG PRO 52 5.714 -8.487 3.255 320 2HG PRO 52 1HG PRO 52 5.134 -9.501 4.572 321 1HD PRO 52 2HD PRO 52 3.882 -8.872 1.962 322 2HD PRO 52 1HD PRO 52 3.584 -10.252 3.037 323 H ILE 53 H ILE 53 1.646 -6.420 6.326 324 HA ILE 53 HA ILE 53 1.411 -4.006 4.636 325 HB ILE 53 HB ILE 53 -0.855 -5.130 6.341 326 1HG1 ILE 53 2HG1 ILE 53 -0.521 -4.869 3.353 327 2HG1 ILE 53 1HG1 ILE 53 -0.435 -6.359 4.272 328 1HG2 ILE 53 1HG2 ILE 53 -0.875 -2.660 6.335 329 2HG2 ILE 53 2HG2 ILE 53 -2.215 -3.310 5.383 330 3HG2 ILE 53 3HG2 ILE 53 -0.794 -2.664 4.570 331 1HD1 ILE 53 1HD1 ILE 53 -2.781 -6.125 4.860 332 2HD1 ILE 53 2HD1 ILE 53 -2.552 -6.120 3.114 333 3HD1 ILE 53 3HD1 ILE 53 -2.852 -4.615 3.964 334 H LEU 54 H LEU 54 2.849 -2.817 5.558 335 HA LEU 54 HA LEU 54 2.711 -2.386 8.452 336 1HB LEU 54 2HB LEU 54 5.035 -1.953 6.578 337 2HB LEU 54 1HB LEU 54 5.065 -1.872 8.329 338 HG LEU 54 HG LEU 54 4.596 -4.370 6.689 339 1HD1 LEU 54 1HD1 LEU 54 6.883 -3.629 6.544 340 2HD1 LEU 54 2HD1 LEU 54 6.766 -5.090 7.526 341 3HD1 LEU 54 3HD1 LEU 54 6.981 -3.520 8.301 342 1HD2 LEU 54 1HD2 LEU 54 4.765 -5.568 8.820 343 2HD2 LEU 54 2HD2 LEU 54 3.393 -4.461 8.799 344 3HD2 LEU 54 3HD2 LEU 54 4.863 -4.027 9.674 345 H ILE 55 H ILE 55 1.888 -0.471 8.986 346 HA ILE 55 HA ILE 55 1.652 1.586 6.963 347 HB ILE 55 HB ILE 55 -0.419 0.948 8.094 348 1HG1 ILE 55 2HG1 ILE 55 -1.256 3.143 8.820 349 2HG1 ILE 55 1HG1 ILE 55 0.403 3.731 9.016 350 1HG2 ILE 55 1HG2 ILE 55 0.899 1.772 10.665 351 2HG2 ILE 55 2HG2 ILE 55 0.441 0.139 10.182 352 3HG2 ILE 55 3HG2 ILE 55 -0.804 1.356 10.475 353 1HD1 ILE 55 1HD1 ILE 55 0.697 3.487 6.596 354 2HD1 ILE 55 2HD1 ILE 55 -0.641 4.563 7.002 355 3HD1 ILE 55 3HD1 ILE 55 -0.964 2.915 6.464 356 H ARG 56 H ARG 56 2.857 3.170 6.900 357 HA ARG 56 HA ARG 56 4.320 4.169 9.256 358 1HB ARG 56 2HB ARG 56 5.215 4.223 6.373 359 2HB ARG 56 1HB ARG 56 6.129 4.857 7.733 360 1HG ARG 56 2HG ARG 56 6.154 2.532 8.723 361 2HG ARG 56 1HG ARG 56 5.512 1.956 7.188 362 1HD ARG 56 2HD ARG 56 8.108 3.449 7.527 363 2HD ARG 56 1HD ARG 56 7.963 1.700 7.425 364 HE ARG 56 HE ARG 56 6.737 2.821 5.187 365 1HH1 ARG 56 1HH1 ARG 56 10.001 2.373 6.566 366 2HH1 ARG 56 2HH1 ARG 56 10.795 2.488 5.085 367 1HH2 ARG 56 1HH2 ARG 56 7.927 2.874 3.059 368 2HH2 ARG 56 2HH2 ARG 56 9.626 2.741 3.110 369 H GLU 57 H GLU 57 5.019 6.549 8.685 370 HA GLU 57 HA GLU 57 2.666 7.858 7.491 371 1HB GLU 57 2HB GLU 57 3.888 8.556 10.166 372 2HB GLU 57 1HB GLU 57 2.800 9.613 9.299 373 1HG GLU 57 2HG GLU 57 1.524 8.555 10.978 374 2HG GLU 57 1HG GLU 57 1.069 7.788 9.466 375 H CYS 58 H CYS 58 3.080 9.488 6.124 376 HA CYS 58 HA CYS 58 3.943 11.276 5.147 377 1HB CYS 58 2HB CYS 58 5.623 11.425 7.638 378 2HB CYS 58 1HB CYS 58 5.711 12.625 6.362 379 H SER 59 H SER 59 5.538 12.087 3.781 380 HA SER 59 HA SER 59 8.126 11.731 3.577 381 1HB SER 59 2HB SER 59 8.601 9.940 1.903 382 2HB SER 59 1HB SER 59 7.995 9.283 3.415 383 HG SER 59 HG SER 59 7.184 8.824 1.065 384 H ASP 60 H ASP 60 5.681 11.028 0.965 385 HA ASP 60 HA ASP 60 6.572 13.482 -0.344 386 1HB ASP 60 2HB ASP 60 5.172 11.004 -1.423 387 2HB ASP 60 1HB ASP 60 5.463 12.460 -2.357 388 H VAL 61 H VAL 61 4.228 13.678 -1.913 389 HA VAL 61 HA VAL 61 2.653 15.274 -0.417 390 HB VAL 61 HB VAL 61 1.834 13.673 -2.863 391 1HG1 VAL 61 1HG1 VAL 61 0.240 15.858 -1.512 392 2HG1 VAL 61 2HG1 VAL 61 -0.213 14.158 -1.593 393 3HG1 VAL 61 3HG1 VAL 61 -0.137 15.120 -3.070 394 1HG2 VAL 61 1HG2 VAL 61 1.932 15.838 -3.951 395 2HG2 VAL 61 2HG2 VAL 61 3.498 15.429 -3.219 396 3HG2 VAL 61 3HG2 VAL 61 2.403 16.587 -2.436 397 H GLN 62 H GLN 62 1.784 11.831 -0.946 398 HA GLN 62 HA GLN 62 0.286 12.010 1.476 399 1HB GLN 62 2HB GLN 62 -1.293 11.970 -1.066 400 2HB GLN 62 1HB GLN 62 -1.972 11.298 0.392 401 1HG GLN 62 2HG GLN 62 -1.036 14.135 0.091 402 2HG GLN 62 1HG GLN 62 -2.699 13.594 -0.143 403 1HE2 GLN 62 1HE2 GLN 62 -3.776 12.745 1.587 404 2HE2 GLN 62 2HE2 GLN 62 -3.363 13.119 3.227 405 HA PRO 63 HA PRO 63 -0.208 7.531 0.860 406 1HB PRO 63 2HB PRO 63 -1.389 6.568 -1.277 407 2HB PRO 63 1HB PRO 63 -2.221 7.700 -0.204 408 1HG PRO 63 2HG PRO 63 -1.285 8.123 -2.947 409 2HG PRO 63 1HG PRO 63 -2.405 9.099 -1.984 410 1HD PRO 63 2HD PRO 63 0.497 9.420 -2.379 411 2HD PRO 63 1HD PRO 63 -0.705 10.608 -1.809 412 H LYS 64 H LYS 64 1.981 6.857 0.803 413 HA LYS 64 HA LYS 64 2.983 6.261 -1.920 414 1HB LYS 64 2HB LYS 64 4.566 6.812 0.630 415 2HB LYS 64 1HB LYS 64 5.283 6.335 -0.885 416 1HG LYS 64 2HG LYS 64 5.645 8.621 -0.424 417 2HG LYS 64 1HG LYS 64 4.640 8.508 -1.873 418 1HD LYS 64 2HD LYS 64 3.757 10.390 -0.501 419 2HD LYS 64 1HD LYS 64 2.689 9.010 -0.401 420 1HE LYS 64 2HE LYS 64 3.439 8.473 1.800 421 2HE LYS 64 1HE LYS 64 4.850 9.511 1.643 422 1HZ LYS 64 1HZ LYS 64 3.287 11.477 1.726 423 2HZ LYS 64 2HZ LYS 64 3.157 10.521 3.096 424 3HZ LYS 64 3HZ LYS 64 2.024 10.383 1.922 425 H LEU 65 H LEU 65 3.665 4.300 -2.429 426 HA LEU 65 HA LEU 65 2.912 2.186 -0.523 427 1HB LEU 65 2HB LEU 65 2.043 2.642 -2.973 428 2HB LEU 65 1HB LEU 65 3.517 1.915 -3.367 429 HG LEU 65 HG LEU 65 3.069 -0.195 -2.332 430 1HD1 LEU 65 1HD1 LEU 65 0.466 0.965 -1.403 431 2HD1 LEU 65 2HD1 LEU 65 1.846 0.540 -0.389 432 3HD1 LEU 65 3HD1 LEU 65 0.964 -0.718 -1.255 433 1HD2 LEU 65 1HD2 LEU 65 0.704 0.718 -3.956 434 2HD2 LEU 65 2HD2 LEU 65 1.192 -0.951 -3.694 435 3HD2 LEU 65 3HD2 LEU 65 2.237 0.140 -4.608 436 H TRP 66 H TRP 66 4.954 1.778 0.555 437 HA TRP 66 HA TRP 66 7.070 1.389 -1.273 438 1HB TRP 66 2HB TRP 66 7.955 2.295 0.735 439 2HB TRP 66 1HB TRP 66 6.971 1.247 1.753 440 HD1 TRP 66 HD TRP 66 8.030 -1.065 2.476 441 HE1 TRP 66 1HE TRP 66 10.244 -2.236 2.037 442 HE3 TRP 66 3HE TRP 66 9.784 2.094 -1.024 443 HZ2 TRP 66 2HZ TRP 66 12.522 -1.792 0.317 444 HZ3 TRP 66 3HZ TRP 66 11.943 1.677 -2.027 445 HH2 TRP 66 HH TRP 66 13.248 -0.127 -1.450 446 H ALA 67 H ALA 67 7.779 -0.608 -1.881 447 HA ALA 67 HA ALA 67 6.667 -3.007 -0.648 448 1HB ALA 67 1HB ALA 67 6.769 -2.423 -3.604 449 2HB ALA 67 2HB ALA 67 5.313 -2.527 -2.617 450 3HB ALA 67 3HB ALA 67 6.308 -3.959 -2.873 451 H ARG 68 H ARG 68 8.195 -4.578 -0.456 452 HA ARG 68 HA ARG 68 10.503 -4.412 -2.161 453 1HB ARG 68 2HB ARG 68 10.996 -3.650 0.293 454 2HB ARG 68 1HB ARG 68 10.706 -5.336 0.711 455 1HG ARG 68 2HG ARG 68 12.991 -5.319 0.431 456 2HG ARG 68 1HG ARG 68 12.389 -5.815 -1.168 457 1HD ARG 68 2HD ARG 68 12.518 -3.295 -1.796 458 2HD ARG 68 1HD ARG 68 13.422 -3.126 -0.318 459 HE ARG 68 HE ARG 68 14.392 -5.143 -2.112 460 1HH1 ARG 68 1HH1 ARG 68 14.878 -1.918 -0.730 461 2HH1 ARG 68 2HH1 ARG 68 16.305 -1.589 -1.610 462 1HH2 ARG 68 1HH2 ARG 68 16.413 -4.706 -3.279 463 2HH2 ARG 68 2HH2 ARG 68 17.206 -3.218 -3.067 464 H TYR 69 H TYR 69 9.820 -5.775 -3.252 465 HA TYR 69 HA TYR 69 8.212 -8.093 -2.627 466 1HB TYR 69 2HB TYR 69 9.756 -7.667 -5.200 467 2HB TYR 69 1HB TYR 69 8.326 -8.655 -4.966 468 HD1 TYR 69 1HD TYR 69 6.152 -7.461 -4.503 469 HD2 TYR 69 2HD TYR 69 9.604 -5.428 -5.852 470 HE1 TYR 69 1HE TYR 69 4.752 -5.622 -5.278 471 HE2 TYR 69 2HE TYR 69 8.214 -3.555 -6.643 472 HH TYR 69 HH TYR 69 5.801 -3.261 -7.383 473 H ALA 70 H ALA 70 8.894 -10.377 -2.892 474 HA ALA 70 HA ALA 70 11.745 -10.918 -2.467 475 1HB ALA 70 1HB ALA 70 11.011 -13.203 -2.070 476 2HB ALA 70 2HB ALA 70 9.384 -12.815 -2.633 477 3HB ALA 70 3HB ALA 70 9.989 -12.117 -1.130 478 H PHE 71 H PHE 71 10.107 -10.191 -5.036 479 HA PHE 71 HA PHE 71 11.598 -11.915 -6.807 480 1HB PHE 71 2HB PHE 71 10.190 -9.266 -7.309 481 2HB PHE 71 1HB PHE 71 10.891 -10.284 -8.559 482 HD1 PHE 71 1HD PHE 71 8.018 -9.645 -6.489 483 HD2 PHE 71 2HD PHE 71 9.893 -12.544 -8.976 484 HE1 PHE 71 1HE PHE 71 5.885 -10.842 -6.699 485 HE2 PHE 71 2HE PHE 71 7.763 -13.747 -9.189 486 HZ PHE 71 HZ PHE 71 5.752 -12.895 -8.050 487 H GLY 72 H GLY 72 12.232 -9.645 -4.612 488 1HA GLY 72 2HA GLY 72 13.985 -8.573 -3.938 489 2HA GLY 72 1HA GLY 72 14.907 -9.375 -5.185 490 H GLN 73 H GLN 73 12.185 -7.229 -5.214 491 HA GLN 73 HA GLN 73 13.618 -5.099 -6.598 492 1HB GLN 73 2HB GLN 73 10.937 -6.268 -7.374 493 2HB GLN 73 1HB GLN 73 11.601 -4.780 -8.027 494 1HG GLN 73 2HG GLN 73 13.424 -5.991 -9.038 495 2HG GLN 73 1HG GLN 73 12.870 -7.493 -8.294 496 1HE2 GLN 73 1HE2 GLN 73 11.133 -8.523 -9.121 497 2HE2 GLN 73 2HE2 GLN 73 10.359 -8.110 -10.593 498 H GLU 74 H GLU 74 12.330 -3.035 -6.397 499 HA GLU 74 HA GLU 74 10.590 -3.119 -4.062 500 1HB GLU 74 2HB GLU 74 11.690 -1.254 -3.086 501 2HB GLU 74 1HB GLU 74 12.919 -2.451 -3.448 502 1HG GLU 74 2HG GLU 74 12.326 -0.053 -5.163 503 2HG GLU 74 1HG GLU 74 13.554 -0.073 -3.906 504 H THR 75 H THR 75 9.545 -0.939 -3.789 505 HA THR 75 HA THR 75 9.619 0.988 -5.787 506 HB THR 75 HB THR 75 8.007 -0.732 -6.885 507 HG1 THR 75 1HG THR 75 6.677 0.905 -7.617 508 1HG2 THR 75 1HG2 THR 75 6.779 -1.392 -4.852 509 2HG2 THR 75 2HG2 THR 75 5.680 -0.726 -6.062 510 3HG2 THR 75 3HG2 THR 75 6.176 0.257 -4.682 511 H ASN 76 H ASN 76 8.524 2.839 -5.039 512 HA ASN 76 HA ASN 76 7.298 2.737 -2.412 513 1HB ASN 76 2HB ASN 76 8.888 4.749 -1.782 514 2HB ASN 76 1HB ASN 76 9.449 3.099 -1.561 515 1HD2 ASN 76 1HD2 ASN 76 11.271 2.329 -2.817 516 2HD2 ASN 76 2HD2 ASN 76 12.089 3.391 -3.882 517 H VAL 77 H VAL 77 5.325 3.531 -3.262 518 HA VAL 77 HA VAL 77 5.682 6.183 -4.384 519 HB VAL 77 HB VAL 77 6.356 5.240 -5.820 520 1HG1 VAL 77 1HG1 VAL 77 5.593 2.874 -5.795 521 2HG1 VAL 77 2HG1 VAL 77 5.161 3.380 -7.431 522 3HG1 VAL 77 3HG1 VAL 77 3.939 3.367 -6.159 523 1HG2 VAL 77 1HG2 VAL 77 4.970 5.652 -8.030 524 2HG2 VAL 77 2HG2 VAL 77 5.161 6.958 -6.860 525 3HG2 VAL 77 3HG2 VAL 77 3.667 6.024 -6.900 526 HA PRO 78 HA PRO 78 1.761 7.877 -3.407 527 1HB PRO 78 2HB PRO 78 2.639 9.168 -5.962 528 2HB PRO 78 1HB PRO 78 1.942 9.910 -4.511 529 1HG PRO 78 2HG PRO 78 4.539 10.067 -4.908 530 2HG PRO 78 1HG PRO 78 3.914 9.689 -3.289 531 1HD PRO 78 2HD PRO 78 5.141 7.849 -5.307 532 2HD PRO 78 1HD PRO 78 5.297 7.734 -3.571 533 H LEU 79 H LEU 79 0.340 6.588 -3.671 534 HA LEU 79 HA LEU 79 -0.469 5.670 -6.306 535 1HB LEU 79 2HB LEU 79 -1.346 3.688 -5.043 536 2HB LEU 79 1HB LEU 79 0.338 4.134 -4.726 537 HG LEU 79 HG LEU 79 -0.070 4.927 -2.569 538 1HD1 LEU 79 1HD1 LEU 79 -2.269 4.711 -1.480 539 2HD1 LEU 79 2HD1 LEU 79 -2.981 4.152 -2.997 540 3HD1 LEU 79 3HD1 LEU 79 -2.381 5.806 -2.857 541 1HD2 LEU 79 1HD2 LEU 79 -0.778 2.847 -1.505 542 2HD2 LEU 79 2HD2 LEU 79 0.333 2.583 -2.852 543 3HD2 LEU 79 3HD2 LEU 79 -1.393 2.278 -3.057 544 H ASN 80 H ASN 80 -0.975 8.197 -5.191 545 HA ASN 80 HA ASN 80 -3.273 8.838 -3.869 546 1HB ASN 80 2HB ASN 80 -1.790 10.577 -4.264 547 2HB ASN 80 1HB ASN 80 -1.825 10.365 -6.012 548 1HD2 ASN 80 1HD2 ASN 80 -4.725 10.604 -3.958 549 2HD2 ASN 80 2HD2 ASN 80 -5.192 12.170 -4.519 550 H ASN 81 H ASN 81 -3.210 8.394 -7.220 551 HA ASN 81 HA ASN 81 -6.050 9.091 -7.382 552 1HB ASN 81 2HB ASN 81 -4.103 8.433 -9.586 553 2HB ASN 81 1HB ASN 81 -5.808 8.764 -9.869 554 1HD2 ASN 81 1HD2 ASN 81 -3.487 10.236 -10.798 555 2HD2 ASN 81 2HD2 ASN 81 -3.654 11.833 -10.178 556 H PHE 82 H PHE 82 -5.075 6.441 -6.198 557 HA PHE 82 HA PHE 82 -6.866 4.775 -7.801 558 1HB PHE 82 2HB PHE 82 -4.498 3.859 -6.147 559 2HB PHE 82 1HB PHE 82 -5.561 2.838 -7.106 560 HD1 PHE 82 1HD PHE 82 -2.523 4.629 -7.061 561 HD2 PHE 82 2HD PHE 82 -5.646 3.380 -9.663 562 HE1 PHE 82 1HE PHE 82 -1.029 4.932 -8.989 563 HE2 PHE 82 2HE PHE 82 -4.156 3.675 -11.598 564 HZ PHE 82 HZ PHE 82 -1.845 4.451 -11.263 565 H SER 83 H SER 83 -8.402 3.870 -6.891 566 HA SER 83 HA SER 83 -9.337 4.771 -4.333 567 1HB SER 83 2HB SER 83 -10.413 2.895 -6.385 568 2HB SER 83 1HB SER 83 -11.368 3.538 -5.025 569 HG SER 83 HG SER 83 -10.498 5.642 -6.016 570 H ALA 84 H ALA 84 -10.525 3.043 -2.875 571 HA ALA 84 HA ALA 84 -8.701 1.715 -1.385 572 1HB ALA 84 1HB ALA 84 -10.587 0.543 -0.339 573 2HB ALA 84 2HB ALA 84 -11.641 1.169 -1.626 574 3HB ALA 84 3HB ALA 84 -10.778 2.279 -0.545 575 H ASP 85 H ASP 85 -11.080 0.257 -3.599 576 HA ASP 85 HA ASP 85 -10.361 -2.462 -3.311 577 1HB ASP 85 2HB ASP 85 -11.739 -1.042 -5.593 578 2HB ASP 85 1HB ASP 85 -11.546 -2.783 -5.494 579 H GLN 86 H GLN 86 -9.610 -0.056 -5.698 580 HA GLN 86 HA GLN 86 -8.070 -1.811 -7.353 581 1HB GLN 86 2HB GLN 86 -9.289 0.499 -7.890 582 2HB GLN 86 1HB GLN 86 -7.717 1.152 -7.454 583 1HG GLN 86 2HG GLN 86 -8.136 -0.958 -9.566 584 2HG GLN 86 1HG GLN 86 -8.086 0.766 -9.898 585 1HE2 GLN 86 1HE2 GLN 86 -5.951 1.350 -8.086 586 2HE2 GLN 86 2HE2 GLN 86 -4.514 0.668 -8.762 587 H VAL 87 H VAL 87 -7.075 0.549 -4.850 588 HA VAL 87 HA VAL 87 -4.385 -0.049 -5.342 589 HB VAL 87 HB VAL 87 -3.829 0.688 -2.997 590 1HG1 VAL 87 1HG1 VAL 87 -4.467 3.006 -3.244 591 2HG1 VAL 87 2HG1 VAL 87 -5.609 2.551 -4.511 592 3HG1 VAL 87 3HG1 VAL 87 -3.879 2.313 -4.754 593 1HG2 VAL 87 1HG2 VAL 87 -6.772 1.147 -2.727 594 2HG2 VAL 87 2HG2 VAL 87 -5.489 1.680 -1.619 595 3HG2 VAL 87 3HG2 VAL 87 -5.781 -0.038 -1.863 596 H THR 88 H THR 88 -6.687 -1.677 -3.199 597 HA THR 88 HA THR 88 -4.671 -3.381 -2.219 598 HB THR 88 HB THR 88 -6.465 -4.786 -1.275 599 HG1 THR 88 1HG THR 88 -8.008 -3.380 -3.181 600 1HG2 THR 88 1HG2 THR 88 -6.933 -1.827 -1.088 601 2HG2 THR 88 2HG2 THR 88 -5.745 -2.751 -0.170 602 3HG2 THR 88 3HG2 THR 88 -7.468 -3.035 0.079 603 H ARG 89 H ARG 89 -6.664 -3.690 -4.897 604 HA ARG 89 HA ARG 89 -5.903 -6.432 -5.505 605 1HB ARG 89 2HB ARG 89 -8.096 -5.359 -6.204 606 2HB ARG 89 1HB ARG 89 -7.175 -4.424 -7.369 607 1HG ARG 89 2HG ARG 89 -7.931 -6.143 -8.677 608 2HG ARG 89 1HG ARG 89 -6.362 -6.771 -8.176 609 1HD ARG 89 2HD ARG 89 -8.993 -7.417 -6.845 610 2HD ARG 89 1HD ARG 89 -8.212 -8.426 -8.047 611 HE ARG 89 HE ARG 89 -6.429 -8.806 -6.414 612 1HH1 ARG 89 1HH1 ARG 89 -9.411 -7.350 -5.109 613 2HH1 ARG 89 2HH1 ARG 89 -9.374 -8.242 -3.658 614 1HH2 ARG 89 1HH2 ARG 89 -6.391 -10.024 -4.359 615 2HH2 ARG 89 2HH2 ARG 89 -7.621 -9.781 -3.220 616 H ALA 90 H ALA 90 -5.097 -3.184 -6.703 617 HA ALA 90 HA ALA 90 -3.137 -4.028 -8.585 618 1HB ALA 90 1HB ALA 90 -3.155 -1.434 -7.026 619 2HB ALA 90 2HB ALA 90 -4.037 -1.708 -8.526 620 3HB ALA 90 3HB ALA 90 -2.273 -1.762 -8.519 621 H LEU 91 H LEU 91 -2.920 -3.344 -5.101 622 HA LEU 91 HA LEU 91 -0.191 -3.816 -4.814 623 1HB LEU 91 2HB LEU 91 -2.467 -4.420 -2.858 624 2HB LEU 91 1HB LEU 91 -0.923 -5.106 -2.656 625 HG LEU 91 HG LEU 91 0.219 -3.012 -2.444 626 1HD1 LEU 91 1HD1 LEU 91 -0.922 -0.889 -2.295 627 2HD1 LEU 91 2HD1 LEU 91 -2.428 -1.666 -2.790 628 3HD1 LEU 91 3HD1 LEU 91 -1.058 -1.608 -3.898 629 1HD2 LEU 91 1HD2 LEU 91 -0.668 -4.009 -0.449 630 2HD2 LEU 91 2HD2 LEU 91 -2.203 -3.169 -0.675 631 3HD2 LEU 91 3HD2 LEU 91 -0.737 -2.251 -0.331 632 H GLU 92 H GLU 92 -2.822 -6.131 -4.637 633 HA GLU 92 HA GLU 92 -1.158 -8.396 -4.533 634 1HB GLU 92 2HB GLU 92 -3.699 -8.368 -4.133 635 2HB GLU 92 1HB GLU 92 -3.849 -8.156 -5.842 636 1HG GLU 92 2HG GLU 92 -2.626 -10.304 -6.188 637 2HG GLU 92 1HG GLU 92 -2.828 -10.591 -4.456 638 H ASN 93 H ASN 93 -2.434 -6.773 -7.321 639 HA ASN 93 HA ASN 93 -1.386 -8.402 -9.288 640 1HB ASN 93 2HB ASN 93 -2.165 -5.582 -9.061 641 2HB ASN 93 1HB ASN 93 -1.106 -5.879 -10.409 642 1HD2 ASN 93 1HD2 ASN 93 -4.231 -6.341 -9.040 643 2HD2 ASN 93 2HD2 ASN 93 -4.950 -7.053 -10.441 644 H VAL 94 H VAL 94 0.107 -5.430 -8.032 645 HA VAL 94 HA VAL 94 2.581 -5.827 -9.262 646 HB VAL 94 HB VAL 94 3.549 -4.422 -7.644 647 1HG1 VAL 94 1HG1 VAL 94 2.388 -2.293 -8.499 648 2HG1 VAL 94 2HG1 VAL 94 1.086 -3.333 -9.078 649 3HG1 VAL 94 3HG1 VAL 94 2.704 -3.486 -9.758 650 1HG2 VAL 94 1HG2 VAL 94 0.788 -3.995 -6.547 651 2HG2 VAL 94 2HG2 VAL 94 2.138 -2.908 -6.222 652 3HG2 VAL 94 3HG2 VAL 94 2.216 -4.595 -5.707 653 H LEU 95 H LEU 95 1.564 -6.825 -6.138 654 HA LEU 95 HA LEU 95 4.300 -7.436 -5.941 655 1HB LEU 95 2HB LEU 95 3.959 -7.831 -3.522 656 2HB LEU 95 1HB LEU 95 3.613 -6.228 -4.135 657 HG LEU 95 HG LEU 95 1.178 -6.995 -4.184 658 1HD1 LEU 95 1HD1 LEU 95 0.473 -8.558 -2.554 659 2HD1 LEU 95 2HD1 LEU 95 2.148 -8.997 -2.184 660 3HD1 LEU 95 3HD1 LEU 95 1.464 -9.341 -3.783 661 1HD2 LEU 95 1HD2 LEU 95 0.860 -6.297 -1.892 662 2HD2 LEU 95 2HD2 LEU 95 2.004 -5.279 -2.770 663 3HD2 LEU 95 3HD2 LEU 95 2.588 -6.476 -1.612 664 H SER 96 H SER 96 1.477 -9.233 -6.229 665 HA SER 96 HA SER 96 2.944 -11.382 -5.244 666 1HB SER 96 2HB SER 96 0.341 -11.562 -6.803 667 2HB SER 96 1HB SER 96 1.009 -12.795 -5.729 668 HG SER 96 HG SER 96 -0.373 -10.526 -5.203 669 H GLY 97 H GLY 97 2.429 -9.759 -8.347 670 1HA GLY 97 2HA GLY 97 4.668 -11.121 -9.360 671 2HA GLY 97 1HA GLY 97 3.214 -11.817 -10.034 672 H LYS 98 H LYS 98 3.739 -8.281 -9.353 673 HA LYS 98 HA LYS 98 3.407 -8.102 -12.307 674 1HB LYS 98 2HB LYS 98 2.241 -6.568 -10.310 675 2HB LYS 98 1HB LYS 98 3.476 -5.523 -10.976 676 1HG LYS 98 2HG LYS 98 1.266 -6.833 -12.547 677 2HG LYS 98 1HG LYS 98 1.295 -5.155 -12.010 678 1HD LYS 98 2HD LYS 98 3.304 -4.776 -13.362 679 2HD LYS 98 1HD LYS 98 3.251 -6.458 -13.892 680 1HE LYS 98 2HE LYS 98 1.032 -6.049 -14.873 681 2HE LYS 98 1HE LYS 98 1.154 -4.354 -14.398 682 1HZ LYS 98 1HZ LYS 98 1.788 -4.668 -16.698 683 2HZ LYS 98 2HZ LYS 98 2.985 -5.781 -16.229 684 3HZ LYS 98 3HZ LYS 98 3.130 -4.164 -15.783 685 H ALA 99 H ALA 99 5.333 -7.323 -9.791 686 HA ALA 99 HA ALA 99 7.237 -5.644 -11.000 687 1HB ALA 99 1HB ALA 99 8.537 -5.984 -9.004 688 2HB ALA 99 2HB ALA 99 7.586 -7.424 -8.616 689 3HB ALA 99 3HB ALA 99 6.816 -5.841 -8.603 Start of MODEL 15 1 H GLY 15 H GLY 15 2.899 -10.706 -1.773 2 1HA GLY 15 1HA GLY 15 4.225 -12.496 -1.062 3 2HA GLY 15 2HA GLY 15 4.522 -12.936 -2.747 4 H LEU 16 H LEU 16 5.526 -11.049 -0.131 5 HA LEU 16 HA LEU 16 7.512 -9.872 -1.888 6 1HB LEU 16 2HB LEU 16 6.331 -8.106 0.227 7 2HB LEU 16 1HB LEU 16 7.299 -7.697 -1.157 8 HG LEU 16 HG LEU 16 5.064 -8.373 -2.433 9 1HD1 LEU 16 1HD1 LEU 16 3.174 -7.642 -1.139 10 2HD1 LEU 16 2HD1 LEU 16 4.257 -7.320 0.217 11 3HD1 LEU 16 3HD1 LEU 16 3.971 -8.995 -0.298 12 1HD2 LEU 16 1HD2 LEU 16 4.568 -5.999 -2.388 13 2HD2 LEU 16 2HD2 LEU 16 6.305 -6.270 -2.530 14 3HD2 LEU 16 3HD2 LEU 16 5.608 -5.794 -0.980 15 H ARG 17 H ARG 17 8.882 -8.509 -0.216 16 HA ARG 17 HA ARG 17 9.379 -10.196 2.047 17 1HB ARG 17 2HB ARG 17 10.782 -7.728 0.998 18 2HB ARG 17 1HB ARG 17 11.310 -8.679 2.377 19 1HG ARG 17 2HG ARG 17 11.764 -10.556 0.972 20 2HG ARG 17 1HG ARG 17 11.102 -9.718 -0.440 21 1HD ARG 17 2HD ARG 17 13.560 -9.627 -0.386 22 2HD ARG 17 1HD ARG 17 12.843 -8.022 -0.247 23 HE ARG 17 HE ARG 17 13.594 -9.433 2.195 24 1HH1 ARG 17 1HH1 ARG 17 14.444 -6.887 -0.145 25 2HH1 ARG 17 2HH1 ARG 17 15.386 -6.003 0.964 26 1HH2 ARG 17 1HH2 ARG 17 14.936 -8.253 3.678 27 2HH2 ARG 17 2HH2 ARG 17 15.682 -6.813 3.179 28 H GLU 18 H GLU 18 7.978 -7.209 0.888 29 HA GLU 18 HA GLU 18 6.645 -6.707 3.389 30 1HB GLU 18 2HB GLU 18 7.697 -4.482 3.689 31 2HB GLU 18 1HB GLU 18 8.633 -5.874 4.344 32 1HG GLU 18 2HG GLU 18 9.814 -5.523 1.953 33 2HG GLU 18 1HG GLU 18 9.008 -3.982 2.074 34 H ILE 19 H ILE 19 4.986 -5.124 3.314 35 HA ILE 19 HA ILE 19 5.232 -3.034 1.292 36 HB ILE 19 HB ILE 19 2.786 -4.541 2.176 37 1HG1 ILE 19 2HG1 ILE 19 3.995 -5.105 0.057 38 2HG1 ILE 19 1HG1 ILE 19 2.280 -4.770 -0.121 39 1HG2 ILE 19 1HG2 ILE 19 1.284 -2.832 1.230 40 2HG2 ILE 19 2HG2 ILE 19 2.664 -1.756 1.024 41 3HG2 ILE 19 3HG2 ILE 19 2.169 -2.250 2.642 42 1HD1 ILE 19 1HD1 ILE 19 4.530 -2.882 -0.748 43 2HD1 ILE 19 2HD1 ILE 19 2.810 -2.531 -0.920 44 3HD1 ILE 19 3HD1 ILE 19 3.557 -3.784 -1.912 45 H ARG 20 H ARG 20 5.383 -1.196 2.062 46 HA ARG 20 HA ARG 20 4.402 -0.575 4.758 47 1HB ARG 20 2HB ARG 20 7.050 0.001 3.553 48 2HB ARG 20 1HB ARG 20 6.304 1.323 4.422 49 1HG ARG 20 2HG ARG 20 7.735 0.273 5.944 50 2HG ARG 20 1HG ARG 20 6.114 -0.230 6.388 51 1HD ARG 20 2HD ARG 20 6.522 -2.389 5.263 52 2HD ARG 20 1HD ARG 20 8.169 -1.856 4.890 53 HE ARG 20 HE ARG 20 7.249 -1.830 7.660 54 1HH1 ARG 20 1HH1 ARG 20 9.639 -3.067 5.301 55 2HH1 ARG 20 2HH1 ARG 20 10.483 -3.950 6.461 56 1HH2 ARG 20 1HH2 ARG 20 8.519 -3.085 9.238 57 2HH2 ARG 20 2HH2 ARG 20 9.839 -4.005 8.666 58 H ILE 21 H ILE 21 2.615 0.584 4.378 59 HA ILE 21 HA ILE 21 2.427 2.339 2.089 60 HB ILE 21 HB ILE 21 0.792 3.265 4.074 61 1HG1 ILE 21 2HG1 ILE 21 0.290 0.303 3.783 62 2HG1 ILE 21 1HG1 ILE 21 1.046 1.058 5.188 63 1HG2 ILE 21 1HG2 ILE 21 0.158 1.650 1.592 64 2HG2 ILE 21 2HG2 ILE 21 0.262 3.409 1.730 65 3HG2 ILE 21 3HG2 ILE 21 -1.055 2.534 2.517 66 1HD1 ILE 21 1HD1 ILE 21 -1.733 1.559 4.172 67 2HD1 ILE 21 2HD1 ILE 21 -0.962 2.420 5.486 68 3HD1 ILE 21 3HD1 ILE 21 -1.286 0.682 5.646 69 H HIS 22 H HIS 22 3.246 4.236 2.094 70 HA HIS 22 HA HIS 22 4.025 5.419 4.647 71 1HB HIS 22 2HB HIS 22 4.515 6.385 1.790 72 2HB HIS 22 1HB HIS 22 5.082 7.218 3.234 73 HD1 HIS 22 1HD HIS 22 7.033 5.926 0.903 74 HD2 HIS 22 2HD HIS 22 6.168 4.342 4.674 75 HE1 HIS 22 1HE HIS 22 8.889 4.387 1.440 76 HE2 HIS 22 2HE HIS 22 8.418 3.525 3.762 77 H LEU 23 H LEU 23 2.577 6.637 5.647 78 HA LEU 23 HA LEU 23 0.448 7.799 4.041 79 1HB LEU 23 2HB LEU 23 -0.353 5.887 5.337 80 2HB LEU 23 1HB LEU 23 0.222 6.640 6.810 81 HG LEU 23 HG LEU 23 -1.386 8.491 6.459 82 1HD1 LEU 23 1HD1 LEU 23 -2.398 6.805 4.181 83 2HD1 LEU 23 2HD1 LEU 23 -1.611 8.377 4.051 84 3HD1 LEU 23 3HD1 LEU 23 -3.188 8.243 4.830 85 1HD2 LEU 23 1HD2 LEU 23 -3.381 7.214 7.064 86 2HD2 LEU 23 2HD2 LEU 23 -1.946 6.623 7.904 87 3HD2 LEU 23 3HD2 LEU 23 -2.592 5.731 6.526 88 H CYS 24 H CYS 24 0.528 8.256 7.365 89 HA CYS 24 HA CYS 24 0.892 10.045 8.778 90 1HB CYS 24 2HB CYS 24 3.153 10.157 8.302 91 2HB CYS 24 1HB CYS 24 2.887 10.491 6.611 92 H GLN 25 H GLN 25 0.707 12.637 8.753 93 HA GLN 25 HA GLN 25 -1.137 13.356 6.639 94 1HB GLN 25 2HB GLN 25 -2.659 14.458 8.239 95 2HB GLN 25 1HB GLN 25 -2.560 12.726 8.488 96 1HG GLN 25 2HG GLN 25 -1.030 13.130 10.386 97 2HG GLN 25 1HG GLN 25 -1.243 14.864 10.152 98 1HE2 GLN 25 1HE2 GLN 25 -2.192 15.245 12.077 99 2HE2 GLN 25 2HE2 GLN 25 -3.769 14.684 12.511 100 H ARG 26 H ARG 26 0.050 14.742 5.564 101 HA ARG 26 HA ARG 26 0.412 17.302 6.773 102 1HB ARG 26 2HB ARG 26 2.758 17.676 6.172 103 2HB ARG 26 1HB ARG 26 2.586 16.399 7.359 104 1HG ARG 26 2HG ARG 26 3.053 14.727 5.708 105 2HG ARG 26 1HG ARG 26 3.012 15.932 4.414 106 1HD ARG 26 2HD ARG 26 5.312 15.358 5.046 107 2HD ARG 26 1HD ARG 26 4.949 17.054 5.371 108 HE ARG 26 HE ARG 26 4.596 15.204 7.568 109 1HH1 ARG 26 1HH1 ARG 26 6.830 17.530 6.017 110 2HH1 ARG 26 2HH1 ARG 26 7.692 17.810 7.456 111 1HH2 ARG 26 1HH2 ARG 26 5.869 15.619 9.507 112 2HH2 ARG 26 2HH2 ARG 26 7.187 16.682 9.448 113 H SER 27 H SER 27 0.962 15.407 3.739 114 HA SER 27 HA SER 27 0.252 17.890 2.374 115 1HB SER 27 2HB SER 27 1.947 15.550 1.476 116 2HB SER 27 1HB SER 27 1.592 16.982 0.512 117 HG SER 27 HG SER 27 3.403 17.517 1.340 118 HA PRO 28 HA PRO 28 -3.164 16.046 -0.095 119 1HB PRO 28 2HB PRO 28 -1.070 15.322 -2.138 120 2HB PRO 28 1HB PRO 28 -2.732 15.894 -2.398 121 1HG PRO 28 2HG PRO 28 -0.740 17.585 -2.577 122 2HG PRO 28 1HG PRO 28 -2.210 18.059 -1.701 123 1HD PRO 28 2HD PRO 28 0.470 17.331 -0.649 124 2HD PRO 28 1HD PRO 28 -0.741 18.441 0.018 125 H GLY 29 H GLY 29 -3.955 14.237 0.714 126 1HA GLY 29 2HA GLY 29 -2.374 11.765 0.652 127 2HA GLY 29 1HA GLY 29 -3.796 12.053 1.664 128 H SER 30 H SER 30 -5.441 10.857 1.005 129 HA SER 30 HA SER 30 -6.733 11.506 -1.336 130 1HB SER 30 2HB SER 30 -4.945 10.072 -2.431 131 2HB SER 30 1HB SER 30 -5.634 8.719 -1.524 132 HG SER 30 HG SER 30 -6.702 10.150 -3.674 133 H GLN 31 H GLN 31 -8.542 10.150 -1.699 134 HA GLN 31 HA GLN 31 -9.627 9.386 0.883 135 1HB GLN 31 2HB GLN 31 -11.897 9.458 -0.364 136 2HB GLN 31 1HB GLN 31 -11.103 10.978 -0.014 137 1HG GLN 31 2HG GLN 31 -12.020 11.116 -2.200 138 2HG GLN 31 1HG GLN 31 -10.275 11.016 -2.360 139 1HE2 GLN 31 1HE2 GLN 31 -10.350 10.299 -4.441 140 2HE2 GLN 31 2HE2 GLN 31 -10.868 8.721 -4.891 141 H GLY 32 H GLY 32 -8.813 8.184 -2.215 142 1HA GLY 32 2HA GLY 32 -9.998 5.644 -1.829 143 2HA GLY 32 1HA GLY 32 -8.747 6.062 -3.004 144 H VAL 33 H VAL 33 -7.021 7.259 -1.013 145 HA VAL 33 HA VAL 33 -5.810 4.772 -0.280 146 HB VAL 33 HB VAL 33 -3.896 5.858 0.581 147 1HG1 VAL 33 1HG1 VAL 33 -4.836 7.540 -1.690 148 2HG1 VAL 33 2HG1 VAL 33 -4.001 5.983 -1.757 149 3HG1 VAL 33 3HG1 VAL 33 -3.175 7.394 -1.100 150 1HG2 VAL 33 1HG2 VAL 33 -5.376 8.485 0.703 151 2HG2 VAL 33 2HG2 VAL 33 -3.660 8.259 1.052 152 3HG2 VAL 33 3HG2 VAL 33 -4.879 7.503 2.080 153 H ARG 34 H ARG 34 -7.122 7.446 1.590 154 HA ARG 34 HA ARG 34 -7.356 6.625 4.117 155 1HB ARG 34 2HB ARG 34 -8.455 8.591 2.940 156 2HB ARG 34 1HB ARG 34 -9.730 7.490 2.565 157 1HG ARG 34 2HG ARG 34 -10.124 6.975 4.896 158 2HG ARG 34 1HG ARG 34 -8.882 8.142 5.359 159 1HD ARG 34 2HD ARG 34 -10.150 9.914 4.314 160 2HD ARG 34 1HD ARG 34 -11.383 8.752 3.819 161 HE ARG 34 HE ARG 34 -11.247 8.351 6.434 162 1HH1 ARG 34 1HH1 ARG 34 -11.848 11.211 4.422 163 2HH1 ARG 34 2HH1 ARG 34 -12.564 12.141 5.662 164 1HH2 ARG 34 1HH2 ARG 34 -12.288 9.600 8.139 165 2HH2 ARG 34 2HH2 ARG 34 -12.775 11.203 7.887 166 H ASP 35 H ASP 35 -9.657 5.773 1.574 167 HA ASP 35 HA ASP 35 -11.222 3.913 2.998 168 1HB ASP 35 2HB ASP 35 -10.535 4.158 0.069 169 2HB ASP 35 1HB ASP 35 -11.304 2.747 0.603 170 H PHE 36 H PHE 36 -8.483 3.237 0.992 171 HA PHE 36 HA PHE 36 -8.367 0.621 1.726 172 1HB PHE 36 2HB PHE 36 -6.881 1.079 -0.004 173 2HB PHE 36 1HB PHE 36 -6.426 2.614 0.663 174 HD1 PHE 36 1HD PHE 36 -5.429 -0.685 -0.068 175 HD2 PHE 36 2HD PHE 36 -4.808 2.420 2.779 176 HE1 PHE 36 1HE PHE 36 -3.241 -1.627 0.475 177 HE2 PHE 36 2HE PHE 36 -2.622 1.461 3.319 178 HZ PHE 36 HZ PHE 36 -1.832 -0.562 2.174 179 H ILE 37 H ILE 37 -6.793 3.237 3.176 180 HA ILE 37 HA ILE 37 -5.297 1.993 5.186 181 HB ILE 37 HB ILE 37 -6.721 4.524 5.683 182 1HG1 ILE 37 2HG1 ILE 37 -5.664 5.172 3.583 183 2HG1 ILE 37 1HG1 ILE 37 -4.783 5.878 4.889 184 1HG2 ILE 37 1HG2 ILE 37 -5.609 3.776 7.621 185 2HG2 ILE 37 2HG2 ILE 37 -4.712 5.180 7.038 186 3HG2 ILE 37 3HG2 ILE 37 -4.094 3.552 6.748 187 1HD1 ILE 37 1HD1 ILE 37 -3.404 5.065 3.116 188 2HD1 ILE 37 2HD1 ILE 37 -3.882 3.401 3.480 189 3HD1 ILE 37 3HD1 ILE 37 -2.976 4.361 4.676 190 H GLU 38 H GLU 38 -8.775 2.834 5.283 191 HA GLU 38 HA GLU 38 -8.693 2.072 8.108 192 1HB GLU 38 2HB GLU 38 -10.678 3.513 8.566 193 2HB GLU 38 1HB GLU 38 -9.253 4.413 8.096 194 1HG GLU 38 2HG GLU 38 -10.181 4.801 5.894 195 2HG GLU 38 1HG GLU 38 -11.552 3.757 6.255 196 H LYS 39 H LYS 39 -10.602 2.111 5.286 197 HA LYS 39 HA LYS 39 -12.799 0.618 6.341 198 1HB LYS 39 2HB LYS 39 -12.858 2.626 4.905 199 2HB LYS 39 1HB LYS 39 -11.991 1.693 3.701 200 1HG LYS 39 2HG LYS 39 -13.913 0.325 3.298 201 2HG LYS 39 1HG LYS 39 -14.793 1.098 4.636 202 1HD LYS 39 2HD LYS 39 -14.662 3.239 3.567 203 2HD LYS 39 1HD LYS 39 -13.644 2.587 2.295 204 1HE LYS 39 2HE LYS 39 -15.528 1.219 1.531 205 2HE LYS 39 1HE LYS 39 -16.535 1.921 2.806 206 1HZ LYS 39 1HZ LYS 39 -16.291 4.074 1.856 207 2HZ LYS 39 2HZ LYS 39 -16.718 3.074 0.553 208 3HZ LYS 39 3HZ LYS 39 -15.113 3.537 0.790 209 H ARG 40 H ARG 40 -9.954 0.191 4.251 210 HA ARG 40 HA ARG 40 -11.053 -2.365 3.437 211 1HB ARG 40 2HB ARG 40 -10.529 -0.701 1.722 212 2HB ARG 40 1HB ARG 40 -8.883 -0.623 2.301 213 1HG ARG 40 2HG ARG 40 -8.889 -1.895 0.329 214 2HG ARG 40 1HG ARG 40 -8.645 -2.995 1.685 215 1HD ARG 40 2HD ARG 40 -10.755 -3.945 1.453 216 2HD ARG 40 1HD ARG 40 -11.396 -2.551 0.573 217 HE ARG 40 HE ARG 40 -9.302 -3.621 -0.911 218 1HH1 ARG 40 1HH1 ARG 40 -12.474 -4.901 0.086 219 2HH1 ARG 40 2HH1 ARG 40 -12.814 -5.564 -1.438 220 1HH2 ARG 40 1HH2 ARG 40 -9.747 -4.553 -2.927 221 2HH2 ARG 40 2HH2 ARG 40 -11.232 -5.357 -3.213 222 H TYR 41 H TYR 41 -8.555 -0.740 5.265 223 HA TYR 41 HA TYR 41 -6.361 -2.261 5.335 224 1HB TYR 41 2HB TYR 41 -6.846 -0.397 6.957 225 2HB TYR 41 1HB TYR 41 -7.810 -1.522 7.835 226 HD1 TYR 41 1HD TYR 41 -6.991 -2.709 9.586 227 HD2 TYR 41 2HD TYR 41 -4.249 -1.255 6.679 228 HE1 TYR 41 1HE TYR 41 -5.156 -3.561 10.928 229 HE2 TYR 41 2HE TYR 41 -2.372 -2.104 8.032 230 HH TYR 41 HH TYR 41 -1.909 -2.702 10.356 231 H VAL 42 H VAL 42 -8.767 -3.199 7.651 232 HA VAL 42 HA VAL 42 -7.523 -5.546 8.360 233 HB VAL 42 HB VAL 42 -9.049 -4.650 9.851 234 1HG1 VAL 42 1HG1 VAL 42 -10.174 -3.263 8.296 235 2HG1 VAL 42 2HG1 VAL 42 -11.355 -4.064 9.345 236 3HG1 VAL 42 3HG1 VAL 42 -11.125 -4.612 7.670 237 1HG2 VAL 42 1HG2 VAL 42 -10.777 -6.361 10.229 238 2HG2 VAL 42 2HG2 VAL 42 -9.216 -7.074 9.801 239 3HG2 VAL 42 3HG2 VAL 42 -10.501 -6.985 8.596 240 H GLU 43 H GLU 43 -9.829 -4.966 5.799 241 HA GLU 43 HA GLU 43 -10.029 -7.759 5.009 242 1HB GLU 43 2HB GLU 43 -11.920 -6.267 4.601 243 2HB GLU 43 1HB GLU 43 -10.894 -5.172 3.686 244 1HG GLU 43 2HG GLU 43 -10.613 -6.776 1.944 245 2HG GLU 43 1HG GLU 43 -11.404 -8.026 2.897 246 H LEU 44 H LEU 44 -7.792 -5.060 4.119 247 HA LEU 44 HA LEU 44 -7.017 -6.728 1.891 248 1HB LEU 44 2HB LEU 44 -5.401 -4.981 1.382 249 2HB LEU 44 1HB LEU 44 -6.987 -4.296 1.630 250 HG LEU 44 HG LEU 44 -5.895 -3.967 4.084 251 1HD1 LEU 44 1HD1 LEU 44 -3.672 -3.637 2.111 252 2HD1 LEU 44 2HD1 LEU 44 -3.744 -4.806 3.425 253 3HD1 LEU 44 3HD1 LEU 44 -3.658 -3.078 3.783 254 1HD2 LEU 44 1HD2 LEU 44 -5.573 -1.661 3.434 255 2HD2 LEU 44 2HD2 LEU 44 -7.089 -2.318 2.819 256 3HD2 LEU 44 3HD2 LEU 44 -5.706 -2.122 1.739 257 H LYS 45 H LYS 45 -6.226 -6.196 5.097 258 HA LYS 45 HA LYS 45 -3.704 -7.464 5.172 259 1HB LYS 45 2HB LYS 45 -4.679 -5.869 6.849 260 2HB LYS 45 1HB LYS 45 -5.760 -7.147 7.356 261 1HG LYS 45 2HG LYS 45 -3.945 -8.445 8.177 262 2HG LYS 45 1HG LYS 45 -2.767 -7.322 7.482 263 1HD LYS 45 2HD LYS 45 -3.739 -5.528 8.901 264 2HD LYS 45 1HD LYS 45 -4.748 -6.751 9.677 265 1HE LYS 45 2HE LYS 45 -2.785 -7.909 10.486 266 2HE LYS 45 1HE LYS 45 -1.729 -6.827 9.581 267 1HZ LYS 45 1HZ LYS 45 -1.809 -6.218 11.898 268 2HZ LYS 45 2HZ LYS 45 -3.492 -6.059 11.847 269 3HZ LYS 45 3HZ LYS 45 -2.509 -4.990 10.964 270 H LYS 46 H LYS 46 -7.047 -8.520 5.614 271 HA LYS 46 HA LYS 46 -6.279 -11.253 6.122 272 1HB LYS 46 2HB LYS 46 -8.575 -11.710 6.348 273 2HB LYS 46 1HB LYS 46 -8.405 -10.068 6.948 274 1HG LYS 46 2HG LYS 46 -9.103 -9.443 4.430 275 2HG LYS 46 1HG LYS 46 -9.627 -10.998 4.371 276 1HD LYS 46 2HD LYS 46 -11.003 -10.858 6.392 277 2HD LYS 46 1HD LYS 46 -10.651 -9.128 6.449 278 1HE LYS 46 2HE LYS 46 -12.795 -9.540 5.379 279 2HE LYS 46 1HE LYS 46 -11.643 -8.858 4.234 280 1HZ LYS 46 1HZ LYS 46 -12.289 -11.753 4.456 281 2HZ LYS 46 2HZ LYS 46 -11.325 -11.046 3.255 282 3HZ LYS 46 3HZ LYS 46 -12.963 -10.699 3.327 283 H ALA 47 H ALA 47 -7.090 -9.274 3.368 284 HA ALA 47 HA ALA 47 -8.049 -11.273 1.854 285 1HB ALA 47 1HB ALA 47 -6.940 -8.650 0.884 286 2HB ALA 47 2HB ALA 47 -8.619 -9.013 1.289 287 3HB ALA 47 3HB ALA 47 -7.864 -9.763 -0.124 288 H ASN 48 H ASN 48 -4.902 -9.740 2.233 289 HA ASN 48 HA ASN 48 -3.650 -11.601 0.432 290 1HB ASN 48 2HB ASN 48 -2.848 -8.686 0.856 291 2HB ASN 48 1HB ASN 48 -2.067 -9.835 -0.193 292 1HD2 ASN 48 1HD2 ASN 48 -3.143 -7.168 -0.932 293 2HD2 ASN 48 2HD2 ASN 48 -4.345 -7.487 -2.114 294 HA PRO 49 HA PRO 49 -1.993 -12.002 4.751 295 1HB PRO 49 2HB PRO 49 -1.743 -14.692 4.602 296 2HB PRO 49 1HB PRO 49 -3.310 -13.942 4.943 297 1HG PRO 49 2HG PRO 49 -2.197 -14.840 2.310 298 2HG PRO 49 1HG PRO 49 -3.754 -15.277 2.989 299 1HD PRO 49 2HD PRO 49 -3.554 -13.343 1.199 300 2HD PRO 49 1HD PRO 49 -4.636 -13.054 2.568 301 H ASP 50 H ASP 50 -1.276 -13.268 1.814 302 HA ASP 50 HA ASP 50 1.569 -13.752 2.044 303 1HB ASP 50 2HB ASP 50 0.141 -14.977 0.454 304 2HB ASP 50 1HB ASP 50 -0.250 -13.485 -0.372 305 H LEU 51 H LEU 51 0.253 -11.000 2.543 306 HA LEU 51 HA LEU 51 2.162 -9.354 1.048 307 1HB LEU 51 2HB LEU 51 -0.201 -9.317 0.196 308 2HB LEU 51 1HB LEU 51 -0.758 -8.664 1.699 309 HG LEU 51 HG LEU 51 0.931 -7.369 -0.440 310 1HD1 LEU 51 1HD1 LEU 51 -0.855 -5.733 -0.495 311 2HD1 LEU 51 2HD1 LEU 51 -1.724 -6.660 0.730 312 3HD1 LEU 51 3HD1 LEU 51 -1.410 -7.368 -0.855 313 1HD2 LEU 51 1HD2 LEU 51 1.007 -5.347 0.886 314 2HD2 LEU 51 2HD2 LEU 51 1.861 -6.669 1.686 315 3HD2 LEU 51 3HD2 LEU 51 0.251 -6.198 2.231 316 HA PRO 52 HA PRO 52 2.976 -8.269 5.557 317 1HB PRO 52 2HB PRO 52 4.882 -6.619 4.072 318 2HB PRO 52 1HB PRO 52 5.071 -7.560 5.552 319 1HG PRO 52 2HG PRO 52 6.082 -8.406 3.197 320 2HG PRO 52 1HG PRO 52 5.362 -9.573 4.312 321 1HD PRO 52 2HD PRO 52 4.234 -8.362 1.813 322 2HD PRO 52 1HD PRO 52 4.015 -10.002 2.458 323 H ILE 53 H ILE 53 1.926 -6.660 6.394 324 HA ILE 53 HA ILE 53 1.384 -4.241 4.759 325 HB ILE 53 HB ILE 53 -0.707 -5.760 6.375 326 1HG1 ILE 53 2HG1 ILE 53 -0.447 -5.264 3.410 327 2HG1 ILE 53 1HG1 ILE 53 0.005 -6.747 4.222 328 1HG2 ILE 53 1HG2 ILE 53 -2.348 -4.140 5.479 329 2HG2 ILE 53 2HG2 ILE 53 -1.039 -3.213 4.754 330 3HG2 ILE 53 3HG2 ILE 53 -1.158 -3.344 6.511 331 1HD1 ILE 53 1HD1 ILE 53 -2.125 -6.938 3.086 332 2HD1 ILE 53 2HD1 ILE 53 -2.764 -5.606 4.032 333 3HD1 ILE 53 3HD1 ILE 53 -2.320 -7.113 4.826 334 H LEU 54 H LEU 54 2.664 -2.793 5.782 335 HA LEU 54 HA LEU 54 2.005 -2.212 8.602 336 1HB LEU 54 2HB LEU 54 4.688 -1.840 7.242 337 2HB LEU 54 1HB LEU 54 4.306 -1.308 8.855 338 HG LEU 54 HG LEU 54 5.624 -3.193 9.115 339 1HD1 LEU 54 1HD1 LEU 54 4.224 -4.887 10.169 340 2HD1 LEU 54 2HD1 LEU 54 2.799 -4.102 9.484 341 3HD1 LEU 54 3HD1 LEU 54 3.816 -3.237 10.637 342 1HD2 LEU 54 1HD2 LEU 54 5.575 -4.087 6.861 343 2HD2 LEU 54 2HD2 LEU 54 3.923 -4.659 7.098 344 3HD2 LEU 54 3HD2 LEU 54 5.245 -5.373 8.023 345 H ILE 55 H ILE 55 1.801 0.011 9.155 346 HA ILE 55 HA ILE 55 1.459 1.825 6.898 347 HB ILE 55 HB ILE 55 0.547 2.101 9.804 348 1HG1 ILE 55 2HG1 ILE 55 -1.133 1.519 7.340 349 2HG1 ILE 55 1HG1 ILE 55 -0.711 0.325 8.575 350 1HG2 ILE 55 1HG2 ILE 55 -0.771 4.019 9.013 351 2HG2 ILE 55 2HG2 ILE 55 -0.083 3.823 7.402 352 3HG2 ILE 55 3HG2 ILE 55 0.958 4.266 8.756 353 1HD1 ILE 55 1HD1 ILE 55 -2.386 2.798 8.907 354 2HD1 ILE 55 2HD1 ILE 55 -2.001 1.647 10.194 355 3HD1 ILE 55 3HD1 ILE 55 -2.974 1.138 8.808 356 H ARG 56 H ARG 56 2.706 3.478 6.732 357 HA ARG 56 HA ARG 56 4.698 4.101 8.778 358 1HB ARG 56 2HB ARG 56 5.230 3.729 5.862 359 2HB ARG 56 1HB ARG 56 6.296 4.617 6.915 360 1HG ARG 56 2HG ARG 56 5.513 1.770 7.475 361 2HG ARG 56 1HG ARG 56 6.967 2.227 6.591 362 1HD ARG 56 2HD ARG 56 7.549 1.821 8.905 363 2HD ARG 56 1HD ARG 56 7.709 3.540 8.570 364 HE ARG 56 HE ARG 56 5.350 2.401 9.904 365 1HH1 ARG 56 1HH1 ARG 56 7.844 4.909 9.711 366 2HH1 ARG 56 2HH1 ARG 56 7.396 5.721 11.127 367 1HH2 ARG 56 1HH2 ARG 56 4.671 3.530 11.899 368 2HH2 ARG 56 2HH2 ARG 56 5.549 4.881 12.431 369 H GLU 57 H GLU 57 6.014 6.083 8.013 370 HA GLU 57 HA GLU 57 4.003 8.173 8.031 371 1HB GLU 57 2HB GLU 57 5.660 8.006 9.912 372 2HB GLU 57 1HB GLU 57 6.936 8.381 8.772 373 1HG GLU 57 2HG GLU 57 6.148 10.588 8.472 374 2HG GLU 57 1HG GLU 57 4.619 10.224 9.260 375 H CYS 58 H CYS 58 4.842 10.318 7.070 376 HA CYS 58 HA CYS 58 4.819 9.985 4.222 377 1HB CYS 58 2HB CYS 58 4.491 12.480 4.379 378 2HB CYS 58 1HB CYS 58 3.289 11.510 5.232 379 H SER 59 H SER 59 6.179 11.608 2.895 380 HA SER 59 HA SER 59 8.601 12.551 3.984 381 1HB SER 59 2HB SER 59 10.053 11.054 2.433 382 2HB SER 59 1HB SER 59 9.504 10.437 3.992 383 HG SER 59 HG SER 59 8.568 8.956 2.997 384 H ASP 60 H ASP 60 6.704 11.994 0.994 385 HA ASP 60 HA ASP 60 8.032 14.389 0.072 386 1HB ASP 60 2HB ASP 60 7.675 13.573 -2.352 387 2HB ASP 60 1HB ASP 60 8.975 12.822 -1.444 388 H VAL 61 H VAL 61 5.350 12.764 -1.545 389 HA VAL 61 HA VAL 61 3.768 15.088 -0.905 390 HB VAL 61 HB VAL 61 2.861 12.486 -2.231 391 1HG1 VAL 61 1HG1 VAL 61 0.942 13.789 -3.030 392 2HG1 VAL 61 2HG1 VAL 61 1.521 15.191 -2.129 393 3HG1 VAL 61 3HG1 VAL 61 1.001 13.744 -1.268 394 1HG2 VAL 61 1HG2 VAL 61 4.563 13.602 -3.576 395 2HG2 VAL 61 2HG2 VAL 61 3.627 15.104 -3.486 396 3HG2 VAL 61 3HG2 VAL 61 2.968 13.709 -4.334 397 H GLN 62 H GLN 62 2.726 11.742 -0.585 398 HA GLN 62 HA GLN 62 2.838 11.801 2.153 399 1HB GLN 62 2HB GLN 62 0.980 13.413 1.982 400 2HB GLN 62 1HB GLN 62 0.008 12.196 1.155 401 1HG GLN 62 2HG GLN 62 -0.007 10.811 3.102 402 2HG GLN 62 1HG GLN 62 1.107 11.892 3.932 403 1HE2 GLN 62 1HE2 GLN 62 -2.122 11.332 2.972 404 2HE2 GLN 62 2HE2 GLN 62 -2.834 12.621 3.865 405 HA PRO 63 HA PRO 63 0.667 7.714 1.220 406 1HB PRO 63 2HB PRO 63 -1.029 7.343 -0.800 407 2HB PRO 63 1HB PRO 63 -1.535 8.168 0.666 408 1HG PRO 63 2HG PRO 63 -0.937 9.239 -2.021 409 2HG PRO 63 1HG PRO 63 -2.033 9.887 -0.803 410 1HD PRO 63 2HD PRO 63 0.601 10.767 -1.401 411 2HD PRO 63 1HD PRO 63 -0.400 11.283 -0.032 412 H LYS 64 H LYS 64 2.679 6.869 0.638 413 HA LYS 64 HA LYS 64 3.083 6.196 -2.282 414 1HB LYS 64 2HB LYS 64 5.192 6.440 -0.098 415 2HB LYS 64 1HB LYS 64 5.488 5.760 -1.680 416 1HG LYS 64 2HG LYS 64 6.376 7.900 -1.614 417 2HG LYS 64 1HG LYS 64 4.942 8.013 -2.655 418 1HD LYS 64 2HD LYS 64 4.852 9.979 -1.204 419 2HD LYS 64 1HD LYS 64 3.765 8.748 -0.582 420 1HE LYS 64 2HE LYS 64 5.233 9.874 1.127 421 2HE LYS 64 1HE LYS 64 5.278 8.109 1.112 422 1HZ LYS 64 1HZ LYS 64 7.372 8.146 -0.029 423 2HZ LYS 64 2HZ LYS 64 7.551 9.263 1.205 424 3HZ LYS 64 3HZ LYS 64 7.259 9.764 -0.360 425 H LEU 65 H LEU 65 3.711 4.147 -2.808 426 HA LEU 65 HA LEU 65 2.858 2.134 -0.851 427 1HB LEU 65 2HB LEU 65 2.090 2.499 -3.364 428 2HB LEU 65 1HB LEU 65 3.563 1.743 -3.659 429 HG LEU 65 HG LEU 65 3.077 -0.353 -2.705 430 1HD1 LEU 65 1HD1 LEU 65 0.556 0.802 -1.574 431 2HD1 LEU 65 2HD1 LEU 65 2.012 0.385 -0.671 432 3HD1 LEU 65 3HD1 LEU 65 1.078 -0.879 -1.469 433 1HD2 LEU 65 1HD2 LEU 65 0.605 0.600 -4.136 434 2HD2 LEU 65 2HD2 LEU 65 1.092 -1.080 -3.917 435 3HD2 LEU 65 3HD2 LEU 65 2.076 0.003 -4.902 436 H TRP 66 H TRP 66 4.764 1.681 0.319 437 HA TRP 66 HA TRP 66 7.057 1.256 -1.326 438 1HB TRP 66 2HB TRP 66 7.696 2.225 0.781 439 2HB TRP 66 1HB TRP 66 6.662 1.125 1.693 440 HD1 TRP 66 HD TRP 66 7.781 -1.088 2.575 441 HE1 TRP 66 1HE TRP 66 10.060 -2.231 2.206 442 HE3 TRP 66 3HE TRP 66 9.570 1.992 -0.980 443 HZ2 TRP 66 2HZ TRP 66 12.328 -1.809 0.548 444 HZ3 TRP 66 3HZ TRP 66 11.751 1.576 -1.923 445 HH2 TRP 66 HH TRP 66 13.077 -0.219 -1.246 446 H ALA 67 H ALA 67 7.511 -0.614 -2.097 447 HA ALA 67 HA ALA 67 6.352 -3.011 -0.971 448 1HB ALA 67 1HB ALA 67 6.101 -3.877 -3.250 449 2HB ALA 67 2HB ALA 67 6.612 -2.311 -3.881 450 3HB ALA 67 3HB ALA 67 5.114 -2.447 -2.957 451 H ARG 68 H ARG 68 7.937 -4.602 -0.682 452 HA ARG 68 HA ARG 68 10.260 -4.416 -2.386 453 1HB ARG 68 2HB ARG 68 10.728 -3.511 -0.004 454 2HB ARG 68 1HB ARG 68 10.455 -5.166 0.527 455 1HG ARG 68 2HG ARG 68 12.725 -5.155 0.277 456 2HG ARG 68 1HG ARG 68 12.171 -5.731 -1.314 457 1HD ARG 68 2HD ARG 68 12.291 -3.293 -2.101 458 2HD ARG 68 1HD ARG 68 13.007 -2.964 -0.554 459 HE ARG 68 HE ARG 68 14.310 -4.958 -2.191 460 1HH1 ARG 68 1HH1 ARG 68 14.351 -1.810 -0.597 461 2HH1 ARG 68 2HH1 ARG 68 15.891 -1.354 -1.152 462 1HH2 ARG 68 1HH2 ARG 68 16.491 -4.347 -2.965 463 2HH2 ARG 68 2HH2 ARG 68 17.110 -2.810 -2.544 464 H TYR 69 H TYR 69 9.610 -5.918 -3.399 465 HA TYR 69 HA TYR 69 8.085 -8.243 -2.464 466 1HB TYR 69 2HB TYR 69 9.524 -8.153 -5.133 467 2HB TYR 69 1HB TYR 69 8.028 -8.982 -4.725 468 HD1 TYR 69 1HD TYR 69 9.558 -5.881 -5.745 469 HD2 TYR 69 2HD TYR 69 5.938 -7.694 -4.539 470 HE1 TYR 69 1HE TYR 69 8.329 -3.944 -6.590 471 HE2 TYR 69 2HE TYR 69 4.693 -5.781 -5.370 472 HH TYR 69 HH TYR 69 5.005 -3.471 -5.904 473 H ALA 70 H ALA 70 8.957 -10.556 -2.800 474 HA ALA 70 HA ALA 70 11.794 -10.714 -2.088 475 1HB ALA 70 1HB ALA 70 9.721 -12.922 -2.175 476 2HB ALA 70 2HB ALA 70 10.120 -11.995 -0.730 477 3HB ALA 70 3HB ALA 70 11.339 -13.025 -1.484 478 H PHE 71 H PHE 71 9.895 -10.880 -4.792 479 HA PHE 71 HA PHE 71 11.672 -12.212 -6.512 480 1HB PHE 71 2HB PHE 71 9.429 -11.181 -7.135 481 2HB PHE 71 1HB PHE 71 10.180 -9.599 -7.015 482 HD1 PHE 71 1HD PHE 71 9.950 -12.686 -8.952 483 HD2 PHE 71 2HD PHE 71 11.630 -8.786 -8.764 484 HE1 PHE 71 1HE PHE 71 10.562 -12.838 -11.324 485 HE2 PHE 71 2HE PHE 71 12.248 -8.932 -11.140 486 HZ PHE 71 HZ PHE 71 11.711 -10.961 -12.423 487 H GLY 72 H GLY 72 11.723 -9.306 -4.717 488 1HA GLY 72 2HA GLY 72 13.573 -8.429 -3.783 489 2HA GLY 72 1HA GLY 72 14.566 -9.065 -5.059 490 H GLN 73 H GLN 73 11.675 -7.407 -5.919 491 HA GLN 73 HA GLN 73 13.282 -5.162 -6.738 492 1HB GLN 73 2HB GLN 73 10.498 -5.947 -7.564 493 2HB GLN 73 1HB GLN 73 11.221 -4.405 -7.996 494 1HG GLN 73 2HG GLN 73 13.138 -5.774 -8.970 495 2HG GLN 73 1HG GLN 73 12.053 -7.156 -8.831 496 1HE2 GLN 73 1HE2 GLN 73 10.242 -7.280 -10.224 497 2HE2 GLN 73 2HE2 GLN 73 10.108 -6.218 -11.568 498 H GLU 74 H GLU 74 12.710 -3.087 -6.488 499 HA GLU 74 HA GLU 74 11.559 -2.466 -3.877 500 1HB GLU 74 2HB GLU 74 13.898 -1.925 -4.152 501 2HB GLU 74 1HB GLU 74 13.573 -1.105 -5.667 502 1HG GLU 74 2HG GLU 74 12.341 0.613 -4.479 503 2HG GLU 74 1HG GLU 74 12.620 -0.234 -2.960 504 H THR 75 H THR 75 9.784 -1.083 -3.783 505 HA THR 75 HA THR 75 9.068 0.494 -6.071 506 HB THR 75 HB THR 75 7.538 -1.685 -4.723 507 HG1 THR 75 1HG THR 75 7.064 -2.370 -6.791 508 1HG2 THR 75 1HG2 THR 75 6.035 0.098 -4.508 509 2HG2 THR 75 2HG2 THR 75 5.443 -0.902 -5.826 510 3HG2 THR 75 3HG2 THR 75 6.258 0.642 -6.179 511 H ASN 76 H ASN 76 8.517 2.405 -5.275 512 HA ASN 76 HA ASN 76 7.310 2.631 -2.666 513 1HB ASN 76 2HB ASN 76 8.936 4.588 -2.049 514 2HB ASN 76 1HB ASN 76 9.470 2.941 -1.783 515 1HD2 ASN 76 1HD2 ASN 76 11.341 2.167 -2.912 516 2HD2 ASN 76 2HD2 ASN 76 12.205 3.206 -3.976 517 H VAL 77 H VAL 77 5.416 3.357 -3.559 518 HA VAL 77 HA VAL 77 5.748 5.960 -4.865 519 HB VAL 77 HB VAL 77 6.330 4.864 -6.319 520 1HG1 VAL 77 1HG1 VAL 77 5.534 2.541 -6.011 521 2HG1 VAL 77 2HG1 VAL 77 4.996 2.921 -7.648 522 3HG1 VAL 77 3HG1 VAL 77 3.865 3.033 -6.299 523 1HG2 VAL 77 1HG2 VAL 77 5.062 6.541 -7.355 524 2HG2 VAL 77 2HG2 VAL 77 3.565 5.623 -7.215 525 3HG2 VAL 77 3HG2 VAL 77 4.775 5.156 -8.412 526 HA PRO 78 HA PRO 78 2.025 7.706 -3.481 527 1HB PRO 78 2HB PRO 78 2.362 8.812 -6.245 528 2HB PRO 78 1HB PRO 78 1.903 9.648 -4.751 529 1HG PRO 78 2HG PRO 78 4.385 9.833 -5.593 530 2HG PRO 78 1HG PRO 78 4.067 9.535 -3.870 531 1HD PRO 78 2HD PRO 78 4.926 7.585 -5.984 532 2HD PRO 78 1HD PRO 78 5.459 7.576 -4.320 533 H LEU 79 H LEU 79 0.374 6.710 -3.351 534 HA LEU 79 HA LEU 79 -0.746 5.444 -5.705 535 1HB LEU 79 2HB LEU 79 -1.682 3.689 -4.101 536 2HB LEU 79 1HB LEU 79 0.073 3.806 -4.342 537 HG LEU 79 HG LEU 79 0.464 4.533 -2.152 538 1HD1 LEU 79 1HD1 LEU 79 -2.502 4.689 -1.741 539 2HD1 LEU 79 2HD1 LEU 79 -1.420 6.073 -1.899 540 3HD1 LEU 79 3HD1 LEU 79 -1.252 4.972 -0.531 541 1HD2 LEU 79 1HD2 LEU 79 -0.523 2.741 -0.840 542 2HD2 LEU 79 2HD2 LEU 79 0.101 2.199 -2.395 543 3HD2 LEU 79 3HD2 LEU 79 -1.634 2.401 -2.170 544 H ASN 80 H ASN 80 -1.025 8.029 -4.645 545 HA ASN 80 HA ASN 80 -3.490 8.579 -3.383 546 1HB ASN 80 2HB ASN 80 -2.174 10.436 -3.305 547 2HB ASN 80 1HB ASN 80 -1.453 10.160 -4.876 548 1HD2 ASN 80 1HD2 ASN 80 -4.026 11.635 -3.143 549 2HD2 ASN 80 2HD2 ASN 80 -4.672 12.579 -4.433 550 H ASN 81 H ASN 81 -2.619 7.988 -6.521 551 HA ASN 81 HA ASN 81 -4.939 9.016 -7.866 552 1HB ASN 81 2HB ASN 81 -2.708 8.894 -8.875 553 2HB ASN 81 1HB ASN 81 -2.792 7.143 -8.840 554 1HD2 ASN 81 1HD2 ASN 81 -2.504 7.035 -10.966 555 2HD2 ASN 81 2HD2 ASN 81 -3.693 7.455 -12.156 556 H PHE 82 H PHE 82 -4.438 6.062 -6.145 557 HA PHE 82 HA PHE 82 -6.534 4.766 -7.714 558 1HB PHE 82 2HB PHE 82 -4.489 3.452 -5.901 559 2HB PHE 82 1HB PHE 82 -5.690 2.654 -6.908 560 HD1 PHE 82 1HD PHE 82 -5.329 2.312 -9.234 561 HD2 PHE 82 2HD PHE 82 -2.506 4.471 -6.900 562 HE1 PHE 82 1HE PHE 82 -3.683 2.115 -11.046 563 HE2 PHE 82 2HE PHE 82 -0.855 4.282 -8.711 564 HZ PHE 82 HZ PHE 82 -1.442 3.100 -10.787 565 H SER 83 H SER 83 -8.179 4.023 -6.719 566 HA SER 83 HA SER 83 -8.735 5.059 -4.073 567 1HB SER 83 2HB SER 83 -10.358 5.306 -5.934 568 2HB SER 83 1HB SER 83 -10.565 3.561 -5.964 569 HG SER 83 HG SER 83 -11.899 5.264 -4.462 570 H ALA 84 H ALA 84 -10.416 3.284 -2.933 571 HA ALA 84 HA ALA 84 -8.803 1.788 -1.361 572 1HB ALA 84 1HB ALA 84 -11.697 1.309 -1.973 573 2HB ALA 84 2HB ALA 84 -10.973 2.361 -0.739 574 3HB ALA 84 3HB ALA 84 -10.815 0.613 -0.606 575 H ASP 85 H ASP 85 -11.052 0.498 -3.830 576 HA ASP 85 HA ASP 85 -10.201 -2.206 -3.801 577 1HB ASP 85 2HB ASP 85 -11.747 -0.658 -5.892 578 2HB ASP 85 1HB ASP 85 -11.361 -2.361 -6.073 579 H GLN 86 H GLN 86 -9.473 0.471 -5.938 580 HA GLN 86 HA GLN 86 -7.759 -0.971 -7.693 581 1HB GLN 86 2HB GLN 86 -7.718 1.987 -7.068 582 2HB GLN 86 1HB GLN 86 -6.884 1.211 -8.407 583 1HG GLN 86 2HG GLN 86 -9.865 1.343 -8.008 584 2HG GLN 86 1HG GLN 86 -8.921 2.296 -9.148 585 1HE2 GLN 86 1HE2 GLN 86 -7.194 0.100 -9.930 586 2HE2 GLN 86 2HE2 GLN 86 -8.139 -0.970 -10.886 587 H VAL 87 H VAL 87 -6.786 0.957 -4.850 588 HA VAL 87 HA VAL 87 -4.098 0.247 -5.253 589 HB VAL 87 HB VAL 87 -3.694 0.711 -2.803 590 1HG1 VAL 87 1HG1 VAL 87 -5.257 2.827 -4.233 591 2HG1 VAL 87 2HG1 VAL 87 -3.526 2.519 -4.399 592 3HG1 VAL 87 3HG1 VAL 87 -4.183 3.081 -2.861 593 1HG2 VAL 87 1HG2 VAL 87 -5.442 1.662 -1.487 594 2HG2 VAL 87 2HG2 VAL 87 -5.776 -0.009 -1.932 595 3HG2 VAL 87 3HG2 VAL 87 -6.619 1.316 -2.762 596 H THR 88 H THR 88 -6.667 -1.445 -3.500 597 HA THR 88 HA THR 88 -4.799 -3.375 -2.571 598 HB THR 88 HB THR 88 -6.825 -4.744 -1.886 599 HG1 THR 88 1HG THR 88 -8.174 -2.346 -2.692 600 1HG2 THR 88 1HG2 THR 88 -7.370 -3.195 -0.085 601 2HG2 THR 88 2HG2 THR 88 -6.589 -1.889 -0.980 602 3HG2 THR 88 3HG2 THR 88 -5.636 -3.255 -0.393 603 H ARG 89 H ARG 89 -6.866 -3.399 -5.216 604 HA ARG 89 HA ARG 89 -6.207 -6.105 -5.950 605 1HB ARG 89 2HB ARG 89 -8.376 -5.216 -6.638 606 2HB ARG 89 1HB ARG 89 -7.602 -3.920 -7.528 607 1HG ARG 89 2HG ARG 89 -8.528 -5.707 -8.965 608 2HG ARG 89 1HG ARG 89 -6.798 -5.465 -9.181 609 1HD ARG 89 2HD ARG 89 -7.377 -7.837 -9.157 610 2HD ARG 89 1HD ARG 89 -6.336 -7.416 -7.805 611 HE ARG 89 HE ARG 89 -8.770 -7.289 -6.684 612 1HH1 ARG 89 1HH1 ARG 89 -7.418 -9.740 -8.870 613 2HH1 ARG 89 2HH1 ARG 89 -8.113 -11.065 -8.079 614 1HH2 ARG 89 1HH2 ARG 89 -9.710 -9.133 -5.545 615 2HH2 ARG 89 2HH2 ARG 89 -9.421 -10.711 -6.115 616 H ALA 90 H ALA 90 -5.119 -2.894 -6.971 617 HA ALA 90 HA ALA 90 -3.171 -3.881 -8.841 618 1HB ALA 90 1HB ALA 90 -3.071 -1.335 -7.211 619 2HB ALA 90 2HB ALA 90 -3.867 -1.486 -8.778 620 3HB ALA 90 3HB ALA 90 -2.117 -1.692 -8.651 621 H LEU 91 H LEU 91 -3.079 -3.275 -5.329 622 HA LEU 91 HA LEU 91 -0.456 -3.913 -4.770 623 1HB LEU 91 2HB LEU 91 -2.926 -4.837 -3.225 624 2HB LEU 91 1HB LEU 91 -1.305 -5.192 -2.768 625 HG LEU 91 HG LEU 91 -2.150 -2.337 -3.049 626 1HD1 LEU 91 1HD1 LEU 91 -3.709 -3.466 -1.546 627 2HD1 LEU 91 2HD1 LEU 91 -2.617 -2.407 -0.648 628 3HD1 LEU 91 3HD1 LEU 91 -2.358 -4.158 -0.643 629 1HD2 LEU 91 1HD2 LEU 91 -0.099 -3.814 -1.452 630 2HD2 LEU 91 2HD2 LEU 91 -0.327 -2.058 -1.455 631 3HD2 LEU 91 3HD2 LEU 91 0.236 -2.890 -2.916 632 H GLU 92 H GLU 92 -3.134 -6.138 -5.022 633 HA GLU 92 HA GLU 92 -1.477 -8.424 -4.665 634 1HB GLU 92 2HB GLU 92 -4.109 -8.051 -4.436 635 2HB GLU 92 1HB GLU 92 -4.120 -8.470 -6.120 636 1HG GLU 92 2HG GLU 92 -3.048 -10.299 -3.992 637 2HG GLU 92 1HG GLU 92 -4.714 -10.314 -4.540 638 H ASN 93 H ASN 93 -2.654 -6.888 -7.516 639 HA ASN 93 HA ASN 93 -1.509 -8.553 -9.421 640 1HB ASN 93 2HB ASN 93 -2.354 -5.756 -9.253 641 2HB ASN 93 1HB ASN 93 -1.299 -6.019 -10.596 642 1HD2 ASN 93 1HD2 ASN 93 -4.381 -6.411 -9.251 643 2HD2 ASN 93 2HD2 ASN 93 -5.145 -7.192 -10.603 644 H VAL 94 H VAL 94 -0.116 -5.549 -8.098 645 HA VAL 94 HA VAL 94 2.354 -5.923 -9.283 646 HB VAL 94 HB VAL 94 3.320 -4.499 -7.682 647 1HG1 VAL 94 1HG1 VAL 94 0.870 -3.425 -9.149 648 2HG1 VAL 94 2HG1 VAL 94 2.499 -3.575 -9.806 649 3HG1 VAL 94 3HG1 VAL 94 2.156 -2.371 -8.562 650 1HG2 VAL 94 1HG2 VAL 94 2.008 -4.632 -5.734 651 2HG2 VAL 94 2HG2 VAL 94 0.565 -4.070 -6.576 652 3HG2 VAL 94 3HG2 VAL 94 1.902 -2.958 -6.281 653 H LEU 95 H LEU 95 1.301 -6.889 -6.161 654 HA LEU 95 HA LEU 95 4.037 -7.548 -5.883 655 1HB LEU 95 2HB LEU 95 3.688 -7.675 -3.432 656 2HB LEU 95 1HB LEU 95 3.389 -6.153 -4.261 657 HG LEU 95 HG LEU 95 0.982 -6.717 -4.241 658 1HD1 LEU 95 1HD1 LEU 95 1.024 -9.059 -3.745 659 2HD1 LEU 95 2HD1 LEU 95 0.075 -8.181 -2.560 660 3HD1 LEU 95 3HD1 LEU 95 1.703 -8.742 -2.144 661 1HD2 LEU 95 1HD2 LEU 95 0.649 -5.897 -1.972 662 2HD2 LEU 95 2HD2 LEU 95 1.884 -5.016 -2.874 663 3HD2 LEU 95 3HD2 LEU 95 2.355 -6.193 -1.646 664 H SER 96 H SER 96 1.386 -9.234 -6.526 665 HA SER 96 HA SER 96 2.848 -11.387 -5.368 666 1HB SER 96 2HB SER 96 0.279 -11.591 -6.962 667 2HB SER 96 1HB SER 96 1.042 -12.907 -6.062 668 HG SER 96 HG SER 96 -0.716 -11.337 -5.223 669 H GLY 97 H GLY 97 2.310 -9.835 -8.501 670 1HA GLY 97 2HA GLY 97 4.707 -11.109 -9.315 671 2HA GLY 97 1HA GLY 97 3.313 -11.822 -10.093 672 H LYS 98 H LYS 98 3.752 -8.326 -9.336 673 HA LYS 98 HA LYS 98 3.556 -8.072 -12.299 674 1HB LYS 98 2HB LYS 98 2.108 -6.692 -10.569 675 2HB LYS 98 1HB LYS 98 3.535 -5.703 -10.486 676 1HG LYS 98 2HG LYS 98 2.004 -6.230 -13.032 677 2HG LYS 98 1HG LYS 98 1.780 -4.825 -12.001 678 1HD LYS 98 2HD LYS 98 4.102 -4.156 -12.430 679 2HD LYS 98 1HD LYS 98 4.320 -5.584 -13.446 680 1HE LYS 98 2HE LYS 98 2.388 -3.316 -13.938 681 2HE LYS 98 1HE LYS 98 3.884 -3.622 -14.818 682 1HZ LYS 98 1HZ LYS 98 2.001 -4.451 -16.076 683 2HZ LYS 98 2HZ LYS 98 1.476 -5.371 -14.774 684 3HZ LYS 98 3HZ LYS 98 2.928 -5.761 -15.538 685 H ALA 99 H ALA 99 5.203 -7.070 -9.641 686 HA ALA 99 HA ALA 99 7.575 -6.427 -11.246 687 1HB ALA 99 1HB ALA 99 8.277 -4.990 -9.373 688 2HB ALA 99 2HB ALA 99 6.786 -5.414 -8.518 689 3HB ALA 99 3HB ALA 99 6.708 -4.505 -10.023 Start of MODEL 16 1 H GLY 15 H GLY 15 2.599 -11.016 -1.240 2 1HA GLY 15 1HA GLY 15 3.504 -13.531 -2.504 3 2HA GLY 15 2HA GLY 15 2.817 -12.186 -3.409 4 H LEU 16 H LEU 16 4.764 -11.434 -0.556 5 HA LEU 16 HA LEU 16 7.124 -11.081 -1.995 6 1HB LEU 16 2HB LEU 16 7.165 -8.557 -1.659 7 2HB LEU 16 1HB LEU 16 6.310 -9.198 -3.029 8 HG LEU 16 HG LEU 16 4.241 -8.405 -2.259 9 1HD1 LEU 16 1HD1 LEU 16 4.316 -9.382 0.014 10 2HD1 LEU 16 2HD1 LEU 16 3.762 -7.708 0.024 11 3HD1 LEU 16 3HD1 LEU 16 5.414 -8.096 0.515 12 1HD2 LEU 16 1HD2 LEU 16 6.304 -6.520 -1.178 13 2HD2 LEU 16 2HD2 LEU 16 4.627 -6.116 -1.542 14 3HD2 LEU 16 3HD2 LEU 16 5.718 -6.605 -2.839 15 H ARG 17 H ARG 17 8.403 -9.224 -0.565 16 HA ARG 17 HA ARG 17 8.712 -10.547 1.967 17 1HB ARG 17 2HB ARG 17 10.058 -8.024 0.990 18 2HB ARG 17 1HB ARG 17 10.504 -8.946 2.405 19 1HG ARG 17 2HG ARG 17 11.243 -10.775 0.969 20 2HG ARG 17 1HG ARG 17 10.770 -9.836 -0.460 21 1HD ARG 17 2HD ARG 17 12.262 -8.002 0.358 22 2HD ARG 17 1HD ARG 17 12.835 -9.100 1.605 23 HE ARG 17 HE ARG 17 13.304 -10.466 -0.683 24 1HH1 ARG 17 1HH1 ARG 17 14.212 -7.286 0.569 25 2HH1 ARG 17 2HH1 ARG 17 15.631 -7.153 -0.374 26 1HH2 ARG 17 1HH2 ARG 17 15.216 -10.233 -2.089 27 2HH2 ARG 17 2HH2 ARG 17 16.188 -8.847 -1.948 28 H GLU 18 H GLU 18 7.663 -7.327 0.763 29 HA GLU 18 HA GLU 18 6.154 -6.914 3.238 30 1HB GLU 18 2HB GLU 18 7.350 -4.833 3.791 31 2HB GLU 18 1HB GLU 18 8.240 -6.326 4.234 32 1HG GLU 18 2HG GLU 18 9.453 -5.717 1.907 33 2HG GLU 18 1HG GLU 18 8.656 -4.201 2.184 34 H ILE 19 H ILE 19 4.606 -5.198 3.202 35 HA ILE 19 HA ILE 19 4.999 -3.120 1.188 36 HB ILE 19 HB ILE 19 2.436 -4.424 2.135 37 1HG1 ILE 19 2HG1 ILE 19 3.583 -5.291 0.117 38 2HG1 ILE 19 1HG1 ILE 19 1.936 -4.741 -0.168 39 1HG2 ILE 19 1HG2 ILE 19 1.112 -2.673 1.034 40 2HG2 ILE 19 2HG2 ILE 19 2.588 -1.748 0.754 41 3HG2 ILE 19 3HG2 ILE 19 2.040 -2.053 2.402 42 1HD1 ILE 19 1HD1 ILE 19 4.448 -3.229 -0.825 43 2HD1 ILE 19 2HD1 ILE 19 2.799 -2.672 -1.114 44 3HD1 ILE 19 3HD1 ILE 19 3.415 -4.089 -1.965 45 H ARG 20 H ARG 20 5.164 -1.225 1.992 46 HA ARG 20 HA ARG 20 4.242 -0.725 4.720 47 1HB ARG 20 2HB ARG 20 6.933 -0.062 3.547 48 2HB ARG 20 1HB ARG 20 6.270 0.868 4.881 49 1HG ARG 20 2HG ARG 20 6.189 -1.109 6.268 50 2HG ARG 20 1HG ARG 20 6.739 -2.105 4.924 51 1HD ARG 20 2HD ARG 20 8.886 -1.184 4.972 52 2HD ARG 20 1HD ARG 20 8.365 0.216 5.912 53 HE ARG 20 HE ARG 20 8.009 -1.357 7.776 54 1HH1 ARG 20 1HH1 ARG 20 10.284 -2.423 5.221 55 2HH1 ARG 20 2HH1 ARG 20 11.238 -3.290 6.300 56 1HH2 ARG 20 1HH2 ARG 20 9.364 -2.648 9.208 57 2HH2 ARG 20 2HH2 ARG 20 10.726 -3.446 8.563 58 H ILE 21 H ILE 21 2.576 0.571 4.408 59 HA ILE 21 HA ILE 21 2.450 2.407 2.179 60 HB ILE 21 HB ILE 21 0.988 3.273 4.429 61 1HG1 ILE 21 2HG1 ILE 21 0.110 0.541 3.459 62 2HG1 ILE 21 1HG1 ILE 21 0.925 0.832 4.998 63 1HG2 ILE 21 1HG2 ILE 21 0.505 4.021 2.202 64 2HG2 ILE 21 2HG2 ILE 21 -0.929 3.184 2.799 65 3HG2 ILE 21 3HG2 ILE 21 0.155 2.377 1.666 66 1HD1 ILE 21 1HD1 ILE 21 -0.876 2.336 5.648 67 2HD1 ILE 21 2HD1 ILE 21 -1.476 0.690 5.354 68 3HD1 ILE 21 3HD1 ILE 21 -1.715 1.976 4.152 69 H HIS 22 H HIS 22 3.249 4.330 2.240 70 HA HIS 22 HA HIS 22 4.193 5.316 4.837 71 1HB HIS 22 2HB HIS 22 4.802 6.387 2.059 72 2HB HIS 22 1HB HIS 22 5.464 7.010 3.557 73 HD1 HIS 22 1HD HIS 22 7.269 6.003 1.184 74 HD2 HIS 22 2HD HIS 22 6.211 3.740 4.517 75 HE1 HIS 22 1HE HIS 22 9.005 4.243 1.389 76 HE2 HIS 22 2HE HIS 22 8.465 3.010 3.495 77 H LEU 23 H LEU 23 2.760 6.553 5.773 78 HA LEU 23 HA LEU 23 0.779 7.848 4.139 79 1HB LEU 23 2HB LEU 23 0.192 6.293 6.047 80 2HB LEU 23 1HB LEU 23 0.850 7.484 7.146 81 HG LEU 23 HG LEU 23 -0.889 9.084 6.485 82 1HD1 LEU 23 1HD1 LEU 23 -1.931 6.846 4.748 83 2HD1 LEU 23 2HD1 LEU 23 -1.216 8.354 4.179 84 3HD1 LEU 23 3HD1 LEU 23 -2.745 8.381 5.057 85 1HD2 LEU 23 1HD2 LEU 23 -2.802 7.917 7.469 86 2HD2 LEU 23 2HD2 LEU 23 -1.314 7.581 8.353 87 3HD2 LEU 23 3HD2 LEU 23 -1.974 6.377 7.246 88 H CYS 24 H CYS 24 0.281 9.910 6.283 89 HA CYS 24 HA CYS 24 0.968 11.752 7.271 90 1HB CYS 24 2HB CYS 24 2.667 10.725 8.499 91 2HB CYS 24 1HB CYS 24 3.649 10.421 7.080 92 H GLN 25 H GLN 25 1.647 13.758 6.956 93 HA GLN 25 HA GLN 25 2.305 15.616 5.961 94 1HB GLN 25 2HB GLN 25 3.960 14.454 4.471 95 2HB GLN 25 1HB GLN 25 2.661 14.087 3.351 96 1HG GLN 25 2HG GLN 25 3.956 15.959 2.564 97 2HG GLN 25 1HG GLN 25 2.323 16.478 2.980 98 1HE2 GLN 25 1HE2 GLN 25 5.645 16.609 3.816 99 2HE2 GLN 25 2HE2 GLN 25 5.566 17.904 4.937 100 H ARG 26 H ARG 26 1.115 17.172 4.906 101 HA ARG 26 HA ARG 26 -1.501 16.163 4.188 102 1HB ARG 26 2HB ARG 26 -2.198 18.652 4.903 103 2HB ARG 26 1HB ARG 26 -2.155 17.301 6.023 104 1HG ARG 26 2HG ARG 26 -1.121 19.185 7.057 105 2HG ARG 26 1HG ARG 26 0.123 17.994 6.701 106 1HD ARG 26 2HD ARG 26 0.684 19.301 4.656 107 2HD ARG 26 1HD ARG 26 -0.468 20.530 5.175 108 HE ARG 26 HE ARG 26 2.170 20.125 6.157 109 1HH1 ARG 26 1HH1 ARG 26 -1.035 21.314 7.111 110 2HH1 ARG 26 2HH1 ARG 26 -0.475 22.226 8.432 111 1HH2 ARG 26 1HH2 ARG 26 2.942 21.345 7.921 112 2HH2 ARG 26 2HH2 ARG 26 1.879 22.222 8.950 113 H SER 27 H SER 27 -0.427 15.879 2.257 114 HA SER 27 HA SER 27 -0.709 18.188 0.483 115 1HB SER 27 2HB SER 27 1.186 15.828 0.420 116 2HB SER 27 1HB SER 27 1.087 17.063 -0.849 117 HG SER 27 HG SER 27 1.724 18.591 0.757 118 HA PRO 28 HA PRO 28 -3.408 15.846 -2.413 119 1HB PRO 28 2HB PRO 28 -0.999 14.561 -3.634 120 2HB PRO 28 1HB PRO 28 -2.465 15.169 -4.416 121 1HG PRO 28 2HG PRO 28 -0.203 16.598 -4.360 122 2HG PRO 28 1HG PRO 28 -1.801 17.358 -4.271 123 1HD PRO 28 2HD PRO 28 0.265 17.112 -2.210 124 2HD PRO 28 1HD PRO 28 -1.137 18.195 -2.273 125 H GLY 29 H GLY 29 -4.417 14.454 -1.102 126 1HA GLY 29 2HA GLY 29 -3.284 11.763 -0.823 127 2HA GLY 29 1HA GLY 29 -4.109 12.571 0.514 128 H SER 30 H SER 30 -5.065 10.150 -0.482 129 HA SER 30 HA SER 30 -7.327 11.146 -1.974 130 1HB SER 30 2HB SER 30 -5.923 9.821 -3.471 131 2HB SER 30 1HB SER 30 -6.054 8.472 -2.336 132 HG SER 30 HG SER 30 -7.677 9.063 -4.319 133 H GLN 31 H GLN 31 -9.011 9.783 -1.925 134 HA GLN 31 HA GLN 31 -9.817 9.121 0.787 135 1HB GLN 31 2HB GLN 31 -12.144 9.227 -0.076 136 2HB GLN 31 1HB GLN 31 -11.281 10.714 -0.412 137 1HG GLN 31 2HG GLN 31 -11.747 8.509 -2.441 138 2HG GLN 31 1HG GLN 31 -12.755 9.941 -2.276 139 1HE2 GLN 31 1HE2 GLN 31 -11.045 8.935 -4.554 140 2HE2 GLN 31 2HE2 GLN 31 -10.022 10.252 -4.921 141 H GLY 32 H GLY 32 -9.320 7.826 -2.380 142 1HA GLY 32 2HA GLY 32 -10.384 5.260 -1.790 143 2HA GLY 32 1HA GLY 32 -9.272 5.661 -3.107 144 H VAL 33 H VAL 33 -7.406 6.948 -1.474 145 HA VAL 33 HA VAL 33 -5.839 4.699 -0.731 146 HB VAL 33 HB VAL 33 -5.357 7.600 -0.026 147 1HG1 VAL 33 1HG1 VAL 33 -3.037 6.888 0.347 148 2HG1 VAL 33 2HG1 VAL 33 -3.501 5.213 0.044 149 3HG1 VAL 33 3HG1 VAL 33 -4.143 6.067 1.447 150 1HG2 VAL 33 1HG2 VAL 33 -5.456 7.208 -2.423 151 2HG2 VAL 33 2HG2 VAL 33 -4.289 5.895 -2.267 152 3HG2 VAL 33 3HG2 VAL 33 -3.805 7.555 -1.911 153 H ARG 34 H ARG 34 -7.079 7.351 1.334 154 HA ARG 34 HA ARG 34 -6.718 6.165 3.737 155 1HB ARG 34 2HB ARG 34 -8.562 7.277 4.590 156 2HB ARG 34 1HB ARG 34 -7.552 8.470 3.706 157 1HG ARG 34 2HG ARG 34 -9.577 7.859 1.975 158 2HG ARG 34 1HG ARG 34 -10.311 7.419 3.489 159 1HD ARG 34 2HD ARG 34 -9.177 10.144 2.887 160 2HD ARG 34 1HD ARG 34 -10.879 9.724 3.081 161 HE ARG 34 HE ARG 34 -10.203 9.037 5.408 162 1HH1 ARG 34 1HH1 ARG 34 -8.613 11.686 3.654 163 2HH1 ARG 34 2HH1 ARG 34 -8.057 12.502 5.040 164 1HH2 ARG 34 1HH2 ARG 34 -9.394 10.141 7.359 165 2HH2 ARG 34 2HH2 ARG 34 -8.539 11.618 7.189 166 H ASP 35 H ASP 35 -9.423 5.700 1.644 167 HA ASP 35 HA ASP 35 -10.890 3.953 3.194 168 1HB ASP 35 2HB ASP 35 -10.660 4.231 0.251 169 2HB ASP 35 1HB ASP 35 -11.057 2.666 0.765 170 H PHE 36 H PHE 36 -8.378 3.080 0.941 171 HA PHE 36 HA PHE 36 -8.158 0.448 1.639 172 1HB PHE 36 2HB PHE 36 -6.742 0.967 -0.193 173 2HB PHE 36 1HB PHE 36 -6.363 2.522 0.467 174 HD1 PHE 36 1HD PHE 36 -5.275 -0.793 -0.200 175 HD2 PHE 36 2HD PHE 36 -4.573 2.531 2.369 176 HE1 PHE 36 1HE PHE 36 -3.013 -1.609 0.235 177 HE2 PHE 36 2HE PHE 36 -2.305 1.701 2.796 178 HZ PHE 36 HZ PHE 36 -1.520 -0.364 1.732 179 H ILE 37 H ILE 37 -6.559 3.114 2.949 180 HA ILE 37 HA ILE 37 -4.922 2.016 4.949 181 HB ILE 37 HB ILE 37 -6.456 4.516 5.371 182 1HG1 ILE 37 2HG1 ILE 37 -5.439 5.081 3.211 183 2HG1 ILE 37 1HG1 ILE 37 -4.639 5.919 4.477 184 1HG2 ILE 37 1HG2 ILE 37 -4.472 5.341 6.657 185 2HG2 ILE 37 2HG2 ILE 37 -3.759 3.741 6.444 186 3HG2 ILE 37 3HG2 ILE 37 -5.274 3.921 7.333 187 1HD1 ILE 37 1HD1 ILE 37 -2.709 4.557 4.378 188 2HD1 ILE 37 2HD1 ILE 37 -3.190 5.125 2.770 189 3HD1 ILE 37 3HD1 ILE 37 -3.515 3.452 3.234 190 H GLU 38 H GLU 38 -8.398 2.753 5.199 191 HA GLU 38 HA GLU 38 -8.212 2.066 8.027 192 1HB GLU 38 2HB GLU 38 -10.138 3.563 8.544 193 2HB GLU 38 1HB GLU 38 -8.699 4.405 8.017 194 1HG GLU 38 2HG GLU 38 -9.939 5.499 6.551 195 2HG GLU 38 1HG GLU 38 -10.230 3.982 5.708 196 H LYS 39 H LYS 39 -10.326 2.095 5.313 197 HA LYS 39 HA LYS 39 -12.383 0.532 6.494 198 1HB LYS 39 2HB LYS 39 -12.515 2.299 4.639 199 2HB LYS 39 1HB LYS 39 -11.849 1.054 3.597 200 1HG LYS 39 2HG LYS 39 -14.162 0.958 3.233 201 2HG LYS 39 1HG LYS 39 -13.840 -0.379 4.337 202 1HD LYS 39 2HD LYS 39 -15.741 0.631 5.243 203 2HD LYS 39 1HD LYS 39 -14.424 1.297 6.205 204 1HE LYS 39 2HE LYS 39 -15.878 2.659 3.917 205 2HE LYS 39 1HE LYS 39 -16.021 3.050 5.621 206 1HZ LYS 39 1HZ LYS 39 -14.603 4.660 4.615 207 2HZ LYS 39 2HZ LYS 39 -13.720 3.522 3.812 208 3HZ LYS 39 3HZ LYS 39 -13.578 3.658 5.512 209 H ARG 40 H ARG 40 -9.577 0.069 4.289 210 HA ARG 40 HA ARG 40 -10.628 -2.592 3.925 211 1HB ARG 40 2HB ARG 40 -10.297 -1.099 1.945 212 2HB ARG 40 1HB ARG 40 -8.566 -1.200 2.252 213 1HG ARG 40 2HG ARG 40 -8.964 -2.858 0.651 214 2HG ARG 40 1HG ARG 40 -8.858 -3.642 2.236 215 1HD ARG 40 2HD ARG 40 -10.737 -4.591 0.973 216 2HD ARG 40 1HD ARG 40 -11.303 -3.722 2.398 217 HE ARG 40 HE ARG 40 -11.502 -2.794 -0.396 218 1HH1 ARG 40 1HH1 ARG 40 -12.772 -2.776 2.901 219 2HH1 ARG 40 2HH1 ARG 40 -13.948 -1.575 2.567 220 1HH2 ARG 40 1HH2 ARG 40 -13.108 -1.203 -0.836 221 2HH2 ARG 40 2HH2 ARG 40 -14.076 -0.590 0.437 222 H TYR 41 H TYR 41 -8.086 -0.823 5.392 223 HA TYR 41 HA TYR 41 -5.772 -2.158 5.170 224 1HB TYR 41 2HB TYR 41 -6.527 -0.422 7.048 225 2HB TYR 41 1HB TYR 41 -6.814 -1.859 7.926 226 HD1 TYR 41 1HD TYR 41 -4.134 0.239 6.608 227 HD2 TYR 41 2HD TYR 41 -5.070 -3.280 8.799 228 HE1 TYR 41 1HE TYR 41 -1.829 0.164 7.458 229 HE2 TYR 41 2HE TYR 41 -2.790 -3.379 9.654 230 HH TYR 41 HH TYR 41 -0.490 -2.516 8.844 231 H VAL 42 H VAL 42 -7.712 -3.517 7.782 232 HA VAL 42 HA VAL 42 -5.932 -5.770 7.634 233 HB VAL 42 HB VAL 42 -6.523 -5.096 9.825 234 1HG1 VAL 42 1HG1 VAL 42 -8.461 -3.912 9.277 235 2HG1 VAL 42 2HG1 VAL 42 -8.813 -4.980 10.652 236 3HG1 VAL 42 3HG1 VAL 42 -9.391 -5.386 9.016 237 1HG2 VAL 42 1HG2 VAL 42 -8.067 -7.640 9.262 238 2HG2 VAL 42 2HG2 VAL 42 -7.461 -7.134 10.842 239 3HG2 VAL 42 3HG2 VAL 42 -6.335 -7.542 9.543 240 H GLU 43 H GLU 43 -8.812 -4.937 6.288 241 HA GLU 43 HA GLU 43 -9.677 -7.624 5.474 242 1HB GLU 43 2HB GLU 43 -11.305 -5.762 5.829 243 2HB GLU 43 1HB GLU 43 -10.470 -4.819 4.609 244 1HG GLU 43 2HG GLU 43 -11.204 -6.265 2.882 245 2HG GLU 43 1HG GLU 43 -11.787 -7.457 4.045 246 H LEU 44 H LEU 44 -7.377 -5.117 4.213 247 HA LEU 44 HA LEU 44 -7.312 -6.861 1.901 248 1HB LEU 44 2HB LEU 44 -6.126 -5.208 0.740 249 2HB LEU 44 1HB LEU 44 -7.153 -4.280 1.808 250 HG LEU 44 HG LEU 44 -4.662 -4.673 3.102 251 1HD1 LEU 44 1HD1 LEU 44 -3.769 -5.073 0.867 252 2HD1 LEU 44 2HD1 LEU 44 -3.224 -3.522 1.507 253 3HD1 LEU 44 3HD1 LEU 44 -4.509 -3.575 0.299 254 1HD2 LEU 44 1HD2 LEU 44 -4.659 -2.241 3.046 255 2HD2 LEU 44 2HD2 LEU 44 -6.249 -2.855 3.496 256 3HD2 LEU 44 3HD2 LEU 44 -5.964 -2.256 1.861 257 H LYS 45 H LYS 45 -5.896 -6.421 4.856 258 HA LYS 45 HA LYS 45 -3.466 -7.834 4.398 259 1HB LYS 45 2HB LYS 45 -4.055 -6.257 6.352 260 2HB LYS 45 1HB LYS 45 -5.007 -7.569 7.008 261 1HG LYS 45 2HG LYS 45 -2.074 -7.876 6.446 262 2HG LYS 45 1HG LYS 45 -2.659 -7.146 7.933 263 1HD LYS 45 2HD LYS 45 -3.798 -9.153 8.537 264 2HD LYS 45 1HD LYS 45 -3.430 -9.917 6.996 265 1HE LYS 45 2HE LYS 45 -1.009 -9.724 7.553 266 2HE LYS 45 1HE LYS 45 -1.450 -9.017 9.103 267 1HZ LYS 45 1HZ LYS 45 -0.932 -11.294 9.374 268 2HZ LYS 45 2HZ LYS 45 -1.985 -11.806 8.194 269 3HZ LYS 45 3HZ LYS 45 -2.591 -11.128 9.636 270 H LYS 46 H LYS 46 -6.748 -8.637 5.262 271 HA LYS 46 HA LYS 46 -6.157 -11.456 5.424 272 1HB LYS 46 2HB LYS 46 -8.391 -11.763 6.067 273 2HB LYS 46 1HB LYS 46 -7.965 -10.212 6.763 274 1HG LYS 46 2HG LYS 46 -9.073 -9.329 4.451 275 2HG LYS 46 1HG LYS 46 -9.769 -10.808 4.464 276 1HD LYS 46 2HD LYS 46 -10.625 -10.692 6.758 277 2HD LYS 46 1HD LYS 46 -10.104 -9.008 6.815 278 1HE LYS 46 2HE LYS 46 -11.546 -8.492 4.927 279 2HE LYS 46 1HE LYS 46 -12.049 -10.180 4.838 280 1HZ LYS 46 1HZ LYS 46 -13.688 -8.915 5.982 281 2HZ LYS 46 2HZ LYS 46 -12.575 -8.278 7.057 282 3HZ LYS 46 3HZ LYS 46 -12.948 -9.940 7.098 283 H ALA 47 H ALA 47 -7.281 -9.109 3.096 284 HA ALA 47 HA ALA 47 -8.517 -10.824 1.506 285 1HB ALA 47 1HB ALA 47 -7.189 -8.251 0.684 286 2HB ALA 47 2HB ALA 47 -8.869 -8.471 1.190 287 3HB ALA 47 3HB ALA 47 -8.309 -9.126 -0.357 288 H ASN 48 H ASN 48 -5.216 -9.845 1.866 289 HA ASN 48 HA ASN 48 -4.129 -11.470 -0.236 290 1HB ASN 48 2HB ASN 48 -3.087 -8.675 0.463 291 2HB ASN 48 1HB ASN 48 -2.542 -9.721 -0.827 292 1HD2 ASN 48 1HD2 ASN 48 -3.339 -6.935 -1.027 293 2HD2 ASN 48 2HD2 ASN 48 -4.630 -6.816 -2.117 294 HA PRO 49 HA PRO 49 -3.087 -12.506 4.102 295 1HB PRO 49 2HB PRO 49 -1.995 -14.920 3.377 296 2HB PRO 49 1HB PRO 49 -3.721 -14.648 3.675 297 1HG PRO 49 2HG PRO 49 -2.208 -14.566 1.104 298 2HG PRO 49 1HG PRO 49 -3.699 -15.433 1.435 299 1HD PRO 49 2HD PRO 49 -3.776 -13.095 0.185 300 2HD PRO 49 1HD PRO 49 -4.955 -13.242 1.493 301 H ASP 50 H ASP 50 -0.964 -13.472 1.691 302 HA ASP 50 HA ASP 50 1.372 -12.866 3.362 303 1HB ASP 50 2HB ASP 50 1.461 -14.862 1.890 304 2HB ASP 50 1HB ASP 50 1.424 -13.815 0.477 305 H LEU 51 H LEU 51 -0.258 -10.662 2.614 306 HA LEU 51 HA LEU 51 1.770 -9.096 1.259 307 1HB LEU 51 2HB LEU 51 -0.522 -9.172 0.234 308 2HB LEU 51 1HB LEU 51 -1.193 -8.421 1.649 309 HG LEU 51 HG LEU 51 0.770 -7.171 -0.297 310 1HD1 LEU 51 1HD1 LEU 51 -1.065 -5.761 -0.945 311 2HD1 LEU 51 2HD1 LEU 51 -2.133 -6.680 0.117 312 3HD1 LEU 51 3HD1 LEU 51 -1.371 -7.465 -1.268 313 1HD2 LEU 51 1HD2 LEU 51 -0.685 -5.891 1.995 314 2HD2 LEU 51 2HD2 LEU 51 0.333 -5.068 0.809 315 3HD2 LEU 51 3HD2 LEU 51 1.044 -6.225 1.935 316 HA PRO 52 HA PRO 52 2.330 -7.888 5.731 317 1HB PRO 52 2HB PRO 52 4.405 -6.448 4.244 318 2HB PRO 52 1HB PRO 52 4.446 -7.243 5.818 319 1HG PRO 52 2HG PRO 52 5.544 -8.375 3.648 320 2HG PRO 52 1HG PRO 52 4.657 -9.387 4.792 321 1HD PRO 52 2HD PRO 52 3.822 -8.326 2.130 322 2HD PRO 52 1HD PRO 52 3.411 -9.875 2.896 323 H ILE 53 H ILE 53 1.255 -6.266 6.361 324 HA ILE 53 HA ILE 53 1.221 -3.816 4.714 325 HB ILE 53 HB ILE 53 -1.146 -4.763 6.370 326 1HG1 ILE 53 2HG1 ILE 53 -0.694 -4.746 3.392 327 2HG1 ILE 53 1HG1 ILE 53 -0.769 -6.169 4.417 328 1HG2 ILE 53 1HG2 ILE 53 -0.990 -2.308 6.176 329 2HG2 ILE 53 2HG2 ILE 53 -2.347 -2.936 5.234 330 3HG2 ILE 53 3HG2 ILE 53 -0.860 -2.456 4.419 331 1HD1 ILE 53 1HD1 ILE 53 -3.000 -4.242 3.901 332 2HD1 ILE 53 2HD1 ILE 53 -3.096 -5.689 4.900 333 3HD1 ILE 53 3HD1 ILE 53 -2.817 -5.825 3.168 334 H LEU 54 H LEU 54 2.678 -2.779 5.710 335 HA LEU 54 HA LEU 54 2.417 -2.341 8.589 336 1HB LEU 54 2HB LEU 54 4.806 -1.929 6.791 337 2HB LEU 54 1HB LEU 54 4.780 -1.863 8.541 338 HG LEU 54 HG LEU 54 4.265 -4.363 6.919 339 1HD1 LEU 54 1HD1 LEU 54 6.462 -5.094 7.650 340 2HD1 LEU 54 2HD1 LEU 54 6.732 -3.528 8.411 341 3HD1 LEU 54 3HD1 LEU 54 6.556 -3.639 6.660 342 1HD2 LEU 54 1HD2 LEU 54 4.697 -3.979 9.878 343 2HD2 LEU 54 2HD2 LEU 54 4.515 -5.527 9.051 344 3HD2 LEU 54 3HD2 LEU 54 3.170 -4.385 9.095 345 H ILE 55 H ILE 55 2.215 -0.238 9.253 346 HA ILE 55 HA ILE 55 1.719 1.704 7.160 347 HB ILE 55 HB ILE 55 0.209 0.977 9.389 348 1HG1 ILE 55 2HG1 ILE 55 -0.778 2.074 7.472 349 2HG1 ILE 55 1HG1 ILE 55 -1.195 2.959 8.924 350 1HG2 ILE 55 1HG2 ILE 55 1.658 2.042 10.983 351 2HG2 ILE 55 2HG2 ILE 55 0.102 2.870 10.918 352 3HG2 ILE 55 3HG2 ILE 55 1.512 3.581 10.133 353 1HD1 ILE 55 1HD1 ILE 55 0.474 4.645 8.394 354 2HD1 ILE 55 2HD1 ILE 55 -0.685 4.431 7.077 355 3HD1 ILE 55 3HD1 ILE 55 0.931 3.735 6.950 356 H ARG 56 H ARG 56 2.956 3.367 6.994 357 HA ARG 56 HA ARG 56 5.086 3.912 8.980 358 1HB ARG 56 2HB ARG 56 5.323 4.243 6.010 359 2HB ARG 56 1HB ARG 56 6.570 4.487 7.199 360 1HG ARG 56 2HG ARG 56 5.319 1.797 6.758 361 2HG ARG 56 1HG ARG 56 6.769 2.343 5.915 362 1HD ARG 56 2HD ARG 56 6.511 2.273 8.913 363 2HD ARG 56 1HD ARG 56 7.162 0.939 7.963 364 HE ARG 56 HE ARG 56 8.415 3.494 7.481 365 1HH1 ARG 56 1HH1 ARG 56 8.518 0.486 9.399 366 2HH1 ARG 56 2HH1 ARG 56 10.177 0.690 9.791 367 1HH2 ARG 56 1HH2 ARG 56 10.730 3.690 8.084 368 2HH2 ARG 56 2HH2 ARG 56 11.387 2.441 9.051 369 H GLU 57 H GLU 57 5.846 6.055 8.781 370 HA GLU 57 HA GLU 57 3.829 7.938 7.768 371 1HB GLU 57 2HB GLU 57 5.178 8.090 10.452 372 2HB GLU 57 1HB GLU 57 4.173 9.345 9.753 373 1HG GLU 57 2HG GLU 57 2.251 7.867 9.820 374 2HG GLU 57 1HG GLU 57 3.263 6.567 10.460 375 H CYS 58 H CYS 58 4.635 9.408 6.510 376 HA CYS 58 HA CYS 58 5.730 11.248 5.911 377 1HB CYS 58 2HB CYS 58 7.655 10.844 8.206 378 2HB CYS 58 1HB CYS 58 7.343 12.333 7.327 379 H SER 59 H SER 59 6.677 11.153 4.051 380 HA SER 59 HA SER 59 9.434 10.604 3.833 381 1HB SER 59 2HB SER 59 9.331 8.718 2.203 382 2HB SER 59 1HB SER 59 8.778 8.272 3.815 383 HG SER 59 HG SER 59 7.553 8.105 1.507 384 H ASP 60 H ASP 60 6.433 10.810 1.795 385 HA ASP 60 HA ASP 60 7.723 12.851 0.201 386 1HB ASP 60 2HB ASP 60 8.119 10.468 -0.797 387 2HB ASP 60 1HB ASP 60 6.390 10.443 -1.100 388 H VAL 61 H VAL 61 5.399 12.576 -1.724 389 HA VAL 61 HA VAL 61 3.866 14.635 -1.087 390 HB VAL 61 HB VAL 61 2.686 12.143 -2.334 391 1HG1 VAL 61 1HG1 VAL 61 0.951 13.711 -1.694 392 2HG1 VAL 61 2HG1 VAL 61 1.123 13.669 -3.448 393 3HG1 VAL 61 3HG1 VAL 61 1.796 15.016 -2.526 394 1HG2 VAL 61 1HG2 VAL 61 4.688 12.866 -3.491 395 2HG2 VAL 61 2HG2 VAL 61 4.044 14.505 -3.605 396 3HG2 VAL 61 3HG2 VAL 61 3.254 13.184 -4.466 397 H GLN 62 H GLN 62 2.668 11.459 -0.265 398 HA GLN 62 HA GLN 62 1.589 12.140 2.206 399 1HB GLN 62 2HB GLN 62 0.119 13.597 0.560 400 2HB GLN 62 1HB GLN 62 -0.743 12.099 0.275 401 1HG GLN 62 2HG GLN 62 -0.432 13.518 2.911 402 2HG GLN 62 1HG GLN 62 -1.866 13.500 1.903 403 1HE2 GLN 62 1HE2 GLN 62 -3.172 11.729 1.953 404 2HE2 GLN 62 2HE2 GLN 62 -3.037 10.483 3.141 405 HA PRO 63 HA PRO 63 0.007 7.825 1.156 406 1HB PRO 63 2HB PRO 63 -1.273 7.375 -1.219 407 2HB PRO 63 1HB PRO 63 -2.068 8.070 0.186 408 1HG PRO 63 2HG PRO 63 -1.557 9.330 -2.328 409 2HG PRO 63 1HG PRO 63 -2.240 10.081 -0.875 410 1HD PRO 63 2HD PRO 63 0.573 10.090 -1.872 411 2HD PRO 63 1HD PRO 63 -0.302 11.333 -0.944 412 H LYS 64 H LYS 64 2.199 7.006 0.897 413 HA LYS 64 HA LYS 64 3.055 6.470 -1.933 414 1HB LYS 64 2HB LYS 64 4.758 6.673 0.587 415 2HB LYS 64 1HB LYS 64 5.352 6.199 -0.985 416 1HG LYS 64 2HG LYS 64 6.032 8.419 -0.556 417 2HG LYS 64 1HG LYS 64 4.806 8.483 -1.817 418 1HD LYS 64 2HD LYS 64 4.467 10.305 -0.261 419 2HD LYS 64 1HD LYS 64 3.176 9.101 -0.152 420 1HE LYS 64 2HE LYS 64 4.135 8.199 1.898 421 2HE LYS 64 1HE LYS 64 5.570 9.195 1.712 422 1HZ LYS 64 1HZ LYS 64 2.824 10.150 2.386 423 2HZ LYS 64 2HZ LYS 64 4.142 11.188 2.189 424 3HZ LYS 64 3HZ LYS 64 4.109 10.088 3.433 425 H LEU 65 H LEU 65 3.880 4.472 -2.446 426 HA LEU 65 HA LEU 65 2.809 2.335 -0.717 427 1HB LEU 65 2HB LEU 65 2.126 2.862 -3.189 428 2HB LEU 65 1HB LEU 65 3.644 2.202 -3.521 429 HG LEU 65 HG LEU 65 3.222 0.026 -2.707 430 1HD1 LEU 65 1HD1 LEU 65 0.554 1.009 -1.735 431 2HD1 LEU 65 2HD1 LEU 65 1.937 0.578 -0.729 432 3HD1 LEU 65 3HD1 LEU 65 1.126 -0.658 -1.690 433 1HD2 LEU 65 1HD2 LEU 65 2.396 0.500 -4.959 434 2HD2 LEU 65 2HD2 LEU 65 0.834 0.971 -4.284 435 3HD2 LEU 65 3HD2 LEU 65 1.385 -0.694 -4.146 436 H TRP 66 H TRP 66 4.684 1.697 0.509 437 HA TRP 66 HA TRP 66 6.929 1.406 -1.145 438 1HB TRP 66 2HB TRP 66 7.686 2.157 0.974 439 2HB TRP 66 1HB TRP 66 6.630 1.053 1.849 440 HD1 TRP 66 HD TRP 66 7.672 -1.299 2.553 441 HE1 TRP 66 1HE TRP 66 9.945 -2.441 2.192 442 HE3 TRP 66 3HE TRP 66 9.612 2.002 -0.717 443 HZ2 TRP 66 2HZ TRP 66 12.310 -1.913 0.628 444 HZ3 TRP 66 3HZ TRP 66 11.826 1.643 -1.611 445 HH2 TRP 66 HH TRP 66 13.115 -0.155 -1.043 446 H ALA 67 H ALA 67 7.569 -0.579 -1.871 447 HA ALA 67 HA ALA 67 6.442 -3.015 -0.737 448 1HB ALA 67 1HB ALA 67 6.194 -3.906 -3.010 449 2HB ALA 67 2HB ALA 67 6.640 -2.332 -3.669 450 3HB ALA 67 3HB ALA 67 5.152 -2.510 -2.737 451 H ARG 68 H ARG 68 7.996 -4.565 -0.505 452 HA ARG 68 HA ARG 68 10.296 -4.386 -2.198 453 1HB ARG 68 2HB ARG 68 10.857 -3.579 0.203 454 2HB ARG 68 1HB ARG 68 10.501 -5.232 0.705 455 1HG ARG 68 2HG ARG 68 12.773 -5.336 0.405 456 2HG ARG 68 1HG ARG 68 12.169 -5.868 -1.172 457 1HD ARG 68 2HD ARG 68 12.359 -3.265 -1.749 458 2HD ARG 68 1HD ARG 68 13.438 -3.286 -0.390 459 HE ARG 68 HE ARG 68 13.848 -5.000 -2.734 460 1HH1 ARG 68 1HH1 ARG 68 15.202 -2.919 -0.178 461 2HH1 ARG 68 2HH1 ARG 68 16.796 -2.997 -0.779 462 1HH2 ARG 68 1HH2 ARG 68 15.981 -5.096 -3.533 463 2HH2 ARG 68 2HH2 ARG 68 17.273 -4.321 -2.724 464 H TYR 69 H TYR 69 9.655 -5.791 -3.276 465 HA TYR 69 HA TYR 69 8.110 -8.145 -2.565 466 1HB TYR 69 2HB TYR 69 9.676 -7.785 -5.137 467 2HB TYR 69 1HB TYR 69 8.244 -8.763 -4.878 468 HD1 TYR 69 1HD TYR 69 9.537 -5.522 -5.772 469 HD2 TYR 69 2HD TYR 69 6.047 -7.604 -4.585 470 HE1 TYR 69 1HE TYR 69 8.167 -3.667 -6.613 471 HE2 TYR 69 2HE TYR 69 4.665 -5.799 -5.392 472 HH TYR 69 HH TYR 69 5.885 -3.288 -7.405 473 H ALA 70 H ALA 70 8.998 -10.465 -3.059 474 HA ALA 70 HA ALA 70 11.847 -10.660 -2.328 475 1HB ALA 70 1HB ALA 70 11.379 -13.030 -1.880 476 2HB ALA 70 2HB ALA 70 9.736 -12.845 -2.496 477 3HB ALA 70 3HB ALA 70 10.214 -12.040 -1.001 478 H PHE 71 H PHE 71 10.099 -10.285 -4.927 479 HA PHE 71 HA PHE 71 11.798 -11.659 -6.757 480 1HB PHE 71 2HB PHE 71 10.326 -9.002 -7.072 481 2HB PHE 71 1HB PHE 71 11.011 -9.946 -8.384 482 HD1 PHE 71 1HD PHE 71 8.129 -9.329 -6.385 483 HD2 PHE 71 2HD PHE 71 10.022 -12.271 -8.794 484 HE1 PHE 71 1HE PHE 71 5.986 -10.497 -6.634 485 HE2 PHE 71 2HE PHE 71 7.880 -13.444 -9.048 486 HZ PHE 71 HZ PHE 71 5.857 -12.555 -7.967 487 H GLY 72 H GLY 72 12.040 -9.214 -4.470 488 1HA GLY 72 2HA GLY 72 13.895 -8.403 -3.543 489 2HA GLY 72 1HA GLY 72 14.819 -8.787 -4.970 490 H GLN 73 H GLN 73 12.261 -7.416 -6.154 491 HA GLN 73 HA GLN 73 13.404 -4.859 -6.697 492 1HB GLN 73 2HB GLN 73 10.574 -5.786 -7.177 493 2HB GLN 73 1HB GLN 73 11.380 -4.431 -7.944 494 1HG GLN 73 2HG GLN 73 12.906 -6.001 -9.058 495 2HG GLN 73 1HG GLN 73 12.043 -7.343 -8.299 496 1HE2 GLN 73 1HE2 GLN 73 11.373 -8.210 -10.276 497 2HE2 GLN 73 2HE2 GLN 73 10.141 -7.456 -11.218 498 H GLU 74 H GLU 74 12.326 -2.809 -6.184 499 HA GLU 74 HA GLU 74 10.623 -2.927 -3.832 500 1HB GLU 74 2HB GLU 74 11.830 -1.143 -2.808 501 2HB GLU 74 1HB GLU 74 13.002 -2.371 -3.234 502 1HG GLU 74 2HG GLU 74 12.474 0.151 -4.786 503 2HG GLU 74 1HG GLU 74 13.794 -0.068 -3.642 504 H THR 75 H THR 75 9.637 -0.754 -3.533 505 HA THR 75 HA THR 75 9.758 1.221 -5.482 506 HB THR 75 HB THR 75 8.278 -0.493 -6.715 507 HG1 THR 75 1HG THR 75 6.658 1.127 -7.238 508 1HG2 THR 75 1HG2 THR 75 6.271 0.297 -4.592 509 2HG2 THR 75 2HG2 THR 75 6.981 -1.305 -4.787 510 3HG2 THR 75 3HG2 THR 75 5.916 -0.656 -6.035 511 H ASN 76 H ASN 76 8.754 3.066 -4.686 512 HA ASN 76 HA ASN 76 7.166 2.867 -2.302 513 1HB ASN 76 2HB ASN 76 8.621 4.633 -1.102 514 2HB ASN 76 1HB ASN 76 9.225 2.988 -1.123 515 1HD2 ASN 76 1HD2 ASN 76 11.266 2.537 -2.210 516 2HD2 ASN 76 2HD2 ASN 76 12.188 3.829 -2.836 517 H VAL 77 H VAL 77 5.432 3.740 -3.231 518 HA VAL 77 HA VAL 77 5.896 6.470 -4.201 519 HB VAL 77 HB VAL 77 6.628 5.562 -5.727 520 1HG1 VAL 77 1HG1 VAL 77 5.489 3.737 -7.338 521 2HG1 VAL 77 2HG1 VAL 77 4.215 3.701 -6.121 522 3HG1 VAL 77 3HG1 VAL 77 5.856 3.208 -5.696 523 1HG2 VAL 77 1HG2 VAL 77 3.920 6.324 -6.794 524 2HG2 VAL 77 2HG2 VAL 77 5.258 6.027 -7.904 525 3HG2 VAL 77 3HG2 VAL 77 5.383 7.308 -6.697 526 HA PRO 78 HA PRO 78 1.994 8.117 -3.168 527 1HB PRO 78 2HB PRO 78 2.739 9.649 -5.628 528 2HB PRO 78 1HB PRO 78 2.127 10.242 -4.074 529 1HG PRO 78 2HG PRO 78 4.705 10.445 -4.607 530 2HG PRO 78 1HG PRO 78 4.169 9.928 -2.996 531 1HD PRO 78 2HD PRO 78 5.236 8.248 -5.242 532 2HD PRO 78 1HD PRO 78 5.555 8.022 -3.535 533 H LEU 79 H LEU 79 0.551 6.816 -3.476 534 HA LEU 79 HA LEU 79 -0.284 6.049 -6.138 535 1HB LEU 79 2HB LEU 79 -1.320 4.073 -4.936 536 2HB LEU 79 1HB LEU 79 0.427 4.348 -4.753 537 HG LEU 79 HG LEU 79 0.270 4.912 -2.498 538 1HD1 LEU 79 1HD1 LEU 79 -1.805 6.193 -2.521 539 2HD1 LEU 79 2HD1 LEU 79 -1.800 4.963 -1.257 540 3HD1 LEU 79 3HD1 LEU 79 -2.712 4.699 -2.745 541 1HD2 LEU 79 1HD2 LEU 79 -1.494 2.565 -3.100 542 2HD2 LEU 79 2HD2 LEU 79 -0.697 2.890 -1.560 543 3HD2 LEU 79 3HD2 LEU 79 0.265 2.569 -3.002 544 H ASN 80 H ASN 80 -0.784 8.512 -4.834 545 HA ASN 80 HA ASN 80 -3.246 9.096 -3.751 546 1HB ASN 80 2HB ASN 80 -1.547 10.772 -3.907 547 2HB ASN 80 1HB ASN 80 -1.568 10.714 -5.655 548 1HD2 ASN 80 1HD2 ASN 80 -4.503 10.914 -3.573 549 2HD2 ASN 80 2HD2 ASN 80 -4.909 12.492 -4.119 550 H ASN 81 H ASN 81 -2.625 8.550 -7.021 551 HA ASN 81 HA ASN 81 -5.345 9.415 -7.763 552 1HB ASN 81 2HB ASN 81 -3.037 8.606 -9.531 553 2HB ASN 81 1HB ASN 81 -4.645 8.960 -10.148 554 1HD2 ASN 81 1HD2 ASN 81 -1.769 10.255 -8.769 555 2HD2 ASN 81 2HD2 ASN 81 -2.113 11.921 -9.034 556 H PHE 82 H PHE 82 -4.664 6.762 -6.334 557 HA PHE 82 HA PHE 82 -6.294 5.188 -8.141 558 1HB PHE 82 2HB PHE 82 -4.143 4.179 -6.262 559 2HB PHE 82 1HB PHE 82 -5.187 3.177 -7.263 560 HD1 PHE 82 1HD PHE 82 -5.055 3.553 -9.809 561 HD2 PHE 82 2HD PHE 82 -2.096 4.888 -7.065 562 HE1 PHE 82 1HE PHE 82 -3.421 3.689 -11.646 563 HE2 PHE 82 2HE PHE 82 -0.453 5.030 -8.892 564 HZ PHE 82 HZ PHE 82 -1.116 4.429 -11.187 565 H SER 83 H SER 83 -7.864 4.052 -7.219 566 HA SER 83 HA SER 83 -8.839 5.164 -4.727 567 1HB SER 83 2HB SER 83 -10.267 5.112 -6.765 568 2HB SER 83 1HB SER 83 -10.289 3.353 -6.669 569 HG SER 83 HG SER 83 -11.739 5.190 -5.296 570 H ALA 84 H ALA 84 -10.362 3.475 -3.539 571 HA ALA 84 HA ALA 84 -8.813 2.272 -1.626 572 1HB ALA 84 1HB ALA 84 -10.863 1.195 -0.869 573 2HB ALA 84 2HB ALA 84 -11.657 1.697 -2.371 574 3HB ALA 84 3HB ALA 84 -11.011 2.902 -1.244 575 H ASP 85 H ASP 85 -10.935 0.468 -3.841 576 HA ASP 85 HA ASP 85 -9.612 -1.960 -3.098 577 1HB ASP 85 2HB ASP 85 -11.991 -1.439 -4.822 578 2HB ASP 85 1HB ASP 85 -11.307 -3.056 -4.627 579 H GLN 86 H GLN 86 -9.327 0.253 -5.539 580 HA GLN 86 HA GLN 86 -8.060 -1.539 -7.441 581 1HB GLN 86 2HB GLN 86 -9.125 0.868 -7.856 582 2HB GLN 86 1HB GLN 86 -7.546 1.424 -7.328 583 1HG GLN 86 2HG GLN 86 -7.999 -0.471 -9.627 584 2HG GLN 86 1HG GLN 86 -7.835 1.266 -9.792 585 1HE2 GLN 86 1HE2 GLN 86 -5.693 1.556 -7.894 586 2HE2 GLN 86 2HE2 GLN 86 -4.293 0.840 -8.613 587 H VAL 87 H VAL 87 -6.872 0.760 -4.973 588 HA VAL 87 HA VAL 87 -4.235 -0.011 -5.473 589 HB VAL 87 HB VAL 87 -3.621 0.823 -3.166 590 1HG1 VAL 87 1HG1 VAL 87 -4.116 3.150 -3.566 591 2HG1 VAL 87 2HG1 VAL 87 -5.359 2.695 -4.721 592 3HG1 VAL 87 3HG1 VAL 87 -3.657 2.349 -5.075 593 1HG2 VAL 87 1HG2 VAL 87 -6.525 1.476 -2.956 594 2HG2 VAL 87 2HG2 VAL 87 -5.227 2.001 -1.868 595 3HG2 VAL 87 3HG2 VAL 87 -5.624 0.288 -2.004 596 H THR 88 H THR 88 -6.646 -1.413 -3.250 597 HA THR 88 HA THR 88 -4.799 -3.217 -2.130 598 HB THR 88 HB THR 88 -6.798 -4.513 -1.396 599 HG1 THR 88 1HG THR 88 -8.712 -4.076 -2.240 600 1HG2 THR 88 1HG2 THR 88 -6.033 -2.588 -0.121 601 2HG2 THR 88 2HG2 THR 88 -7.792 -2.711 -0.079 602 3HG2 THR 88 3HG2 THR 88 -7.013 -1.523 -1.127 603 H ARG 89 H ARG 89 -6.864 -3.582 -4.788 604 HA ARG 89 HA ARG 89 -6.181 -6.341 -5.322 605 1HB ARG 89 2HB ARG 89 -8.342 -5.215 -6.009 606 2HB ARG 89 1HB ARG 89 -7.429 -4.405 -7.268 607 1HG ARG 89 2HG ARG 89 -6.928 -6.515 -8.312 608 2HG ARG 89 1HG ARG 89 -7.727 -7.381 -6.992 609 1HD ARG 89 2HD ARG 89 -9.807 -6.097 -7.547 610 2HD ARG 89 1HD ARG 89 -8.979 -5.515 -8.990 611 HE ARG 89 HE ARG 89 -8.700 -7.997 -9.458 612 1HH1 ARG 89 1HH1 ARG 89 -11.508 -6.549 -7.820 613 2HH1 ARG 89 2HH1 ARG 89 -12.632 -7.715 -8.325 614 1HH2 ARG 89 1HH2 ARG 89 -10.326 -9.633 -10.249 615 2HH2 ARG 89 2HH2 ARG 89 -11.951 -9.480 -9.742 616 H ALA 90 H ALA 90 -5.263 -3.263 -6.799 617 HA ALA 90 HA ALA 90 -3.412 -4.408 -8.641 618 1HB ALA 90 1HB ALA 90 -2.465 -2.192 -8.868 619 2HB ALA 90 2HB ALA 90 -3.293 -1.653 -7.408 620 3HB ALA 90 3HB ALA 90 -4.224 -2.074 -8.844 621 H LEU 91 H LEU 91 -3.092 -3.451 -5.226 622 HA LEU 91 HA LEU 91 -0.364 -3.926 -4.975 623 1HB LEU 91 2HB LEU 91 -2.608 -4.347 -2.943 624 2HB LEU 91 1HB LEU 91 -1.135 -5.157 -2.780 625 HG LEU 91 HG LEU 91 0.230 -3.274 -2.551 626 1HD1 LEU 91 1HD1 LEU 91 -0.726 -1.782 -4.177 627 2HD1 LEU 91 2HD1 LEU 91 -0.568 -0.978 -2.614 628 3HD1 LEU 91 3HD1 LEU 91 -2.145 -1.547 -3.158 629 1HD2 LEU 91 1HD2 LEU 91 -0.697 -2.212 -0.557 630 2HD2 LEU 91 2HD2 LEU 91 -0.925 -3.962 -0.557 631 3HD2 LEU 91 3HD2 LEU 91 -2.277 -2.898 -0.940 632 H GLU 92 H GLU 92 -3.016 -6.201 -4.657 633 HA GLU 92 HA GLU 92 -1.289 -8.438 -4.334 634 1HB GLU 92 2HB GLU 92 -3.918 -8.165 -3.927 635 2HB GLU 92 1HB GLU 92 -4.012 -8.598 -5.602 636 1HG GLU 92 2HG GLU 92 -2.778 -10.365 -3.508 637 2HG GLU 92 1HG GLU 92 -4.445 -10.465 -4.044 638 H ASN 93 H ASN 93 -2.766 -7.117 -7.179 639 HA ASN 93 HA ASN 93 -1.815 -8.834 -9.135 640 1HB ASN 93 2HB ASN 93 -2.323 -5.903 -9.004 641 2HB ASN 93 1HB ASN 93 -1.555 -6.457 -10.451 642 1HD2 ASN 93 1HD2 ASN 93 -4.127 -8.146 -8.594 643 2HD2 ASN 93 2HD2 ASN 93 -5.299 -8.008 -9.826 644 H VAL 94 H VAL 94 -0.241 -5.817 -8.073 645 HA VAL 94 HA VAL 94 2.135 -6.278 -9.421 646 HB VAL 94 HB VAL 94 3.209 -4.753 -8.008 647 1HG1 VAL 94 1HG1 VAL 94 2.196 -3.966 -10.107 648 2HG1 VAL 94 2HG1 VAL 94 1.970 -2.685 -8.917 649 3HG1 VAL 94 3HG1 VAL 94 0.635 -3.766 -9.313 650 1HG2 VAL 94 1HG2 VAL 94 2.063 -4.768 -5.950 651 2HG2 VAL 94 2HG2 VAL 94 0.555 -4.248 -6.703 652 3HG2 VAL 94 3HG2 VAL 94 1.915 -3.129 -6.587 653 H LEU 95 H LEU 95 1.349 -7.045 -6.179 654 HA LEU 95 HA LEU 95 4.103 -7.576 -6.060 655 1HB LEU 95 2HB LEU 95 3.860 -7.864 -3.598 656 2HB LEU 95 1HB LEU 95 3.474 -6.299 -4.285 657 HG LEU 95 HG LEU 95 1.060 -6.999 -4.197 658 1HD1 LEU 95 1HD1 LEU 95 0.345 -8.577 -2.579 659 2HD1 LEU 95 2HD1 LEU 95 2.013 -9.085 -2.268 660 3HD1 LEU 95 3HD1 LEU 95 1.274 -9.364 -3.851 661 1HD2 LEU 95 1HD2 LEU 95 2.567 -6.590 -1.667 662 2HD2 LEU 95 2HD2 LEU 95 0.830 -6.363 -1.882 663 3HD2 LEU 95 3HD2 LEU 95 1.970 -5.354 -2.771 664 H SER 96 H SER 96 1.344 -9.516 -6.064 665 HA SER 96 HA SER 96 2.958 -11.588 -5.103 666 1HB SER 96 2HB SER 96 0.312 -11.812 -6.550 667 2HB SER 96 1HB SER 96 1.092 -13.093 -5.622 668 HG SER 96 HG SER 96 -0.615 -11.570 -4.746 669 H GLY 97 H GLY 97 2.064 -10.235 -8.310 670 1HA GLY 97 2HA GLY 97 4.384 -11.531 -9.299 671 2HA GLY 97 1HA GLY 97 2.923 -12.312 -9.859 672 H LYS 98 H LYS 98 3.466 -8.765 -9.391 673 HA LYS 98 HA LYS 98 3.051 -8.692 -12.345 674 1HB LYS 98 2HB LYS 98 1.666 -7.223 -10.739 675 2HB LYS 98 1HB LYS 98 3.112 -6.310 -10.537 676 1HG LYS 98 2HG LYS 98 1.873 -6.650 -13.258 677 2HG LYS 98 1HG LYS 98 1.408 -5.356 -12.163 678 1HD LYS 98 2HD LYS 98 3.754 -4.578 -12.149 679 2HD LYS 98 1HD LYS 98 4.164 -5.856 -13.291 680 1HE LYS 98 2HE LYS 98 2.623 -4.897 -14.929 681 2HE LYS 98 1HE LYS 98 2.175 -3.637 -13.778 682 1HZ LYS 98 1HZ LYS 98 4.868 -4.051 -14.974 683 2HZ LYS 98 2HZ LYS 98 4.535 -2.976 -13.755 684 3HZ LYS 98 3HZ LYS 98 3.841 -2.725 -15.261 685 H ALA 99 H ALA 99 4.840 -7.524 -9.882 686 HA ALA 99 HA ALA 99 6.894 -6.121 -11.163 687 1HB ALA 99 1HB ALA 99 7.079 -7.570 -8.536 688 2HB ALA 99 2HB ALA 99 6.363 -5.984 -8.778 689 3HB ALA 99 3HB ALA 99 8.092 -6.221 -9.074 Start of MODEL 17 1 H GLY 15 H GLY 15 2.588 -10.583 -1.534 2 1HA GLY 15 1HA GLY 15 3.673 -12.629 -3.422 3 2HA GLY 15 2HA GLY 15 3.059 -11.054 -3.910 4 H LEU 16 H LEU 16 4.573 -10.891 -0.863 5 HA LEU 16 HA LEU 16 7.142 -10.436 -1.767 6 1HB LEU 16 2HB LEU 16 6.997 -7.928 -1.132 7 2HB LEU 16 1HB LEU 16 6.690 -8.469 -2.755 8 HG LEU 16 HG LEU 16 4.351 -8.014 -2.552 9 1HD1 LEU 16 1HD1 LEU 16 4.845 -7.441 0.376 10 2HD1 LEU 16 2HD1 LEU 16 3.969 -8.829 -0.302 11 3HD1 LEU 16 3HD1 LEU 16 3.330 -7.202 -0.514 12 1HD2 LEU 16 1HD2 LEU 16 5.983 -5.874 -1.239 13 2HD2 LEU 16 2HD2 LEU 16 4.411 -5.658 -2.014 14 3HD2 LEU 16 3HD2 LEU 16 5.807 -6.158 -2.971 15 H ARG 17 H ARG 17 8.207 -8.904 0.008 16 HA ARG 17 HA ARG 17 7.418 -10.222 2.486 17 1HB ARG 17 2HB ARG 17 10.033 -9.100 1.635 18 2HB ARG 17 1HB ARG 17 9.734 -9.864 3.196 19 1HG ARG 17 2HG ARG 17 9.094 -11.941 1.924 20 2HG ARG 17 1HG ARG 17 9.714 -11.141 0.475 21 1HD ARG 17 2HD ARG 17 11.249 -11.789 2.983 22 2HD ARG 17 1HD ARG 17 11.397 -12.595 1.425 23 HE ARG 17 HE ARG 17 11.916 -9.783 1.250 24 1HH1 ARG 17 1HH1 ARG 17 13.396 -12.879 2.135 25 2HH1 ARG 17 2HH1 ARG 17 14.992 -12.311 1.916 26 1HH2 ARG 17 1HH2 ARG 17 14.041 -9.058 0.921 27 2HH2 ARG 17 2HH2 ARG 17 15.384 -10.080 1.177 28 H GLU 18 H GLU 18 7.469 -7.209 0.928 29 HA GLU 18 HA GLU 18 6.776 -6.083 3.555 30 1HB GLU 18 2HB GLU 18 9.184 -5.862 3.367 31 2HB GLU 18 1HB GLU 18 9.004 -5.078 1.841 32 1HG GLU 18 2HG GLU 18 8.543 -3.087 2.696 33 2HG GLU 18 1HG GLU 18 7.791 -3.635 4.170 34 H ILE 19 H ILE 19 4.719 -4.862 3.269 35 HA ILE 19 HA ILE 19 4.994 -2.835 1.227 36 HB ILE 19 HB ILE 19 2.529 -4.329 2.081 37 1HG1 ILE 19 2HG1 ILE 19 3.710 -5.025 0.048 38 2HG1 ILE 19 1HG1 ILE 19 2.067 -4.486 -0.289 39 1HG2 ILE 19 1HG2 ILE 19 1.062 -2.636 1.042 40 2HG2 ILE 19 2HG2 ILE 19 2.459 -1.580 0.834 41 3HG2 ILE 19 3HG2 ILE 19 1.916 -2.008 2.455 42 1HD1 ILE 19 1HD1 ILE 19 2.935 -2.327 -1.029 43 2HD1 ILE 19 2HD1 ILE 19 3.615 -3.661 -1.959 44 3HD1 ILE 19 3HD1 ILE 19 4.577 -2.881 -0.703 45 H ARG 20 H ARG 20 5.328 -1.111 1.985 46 HA ARG 20 HA ARG 20 4.349 -0.388 4.651 47 1HB ARG 20 2HB ARG 20 6.833 0.446 3.197 48 2HB ARG 20 1HB ARG 20 6.188 1.365 4.545 49 1HG ARG 20 2HG ARG 20 6.468 -0.559 6.010 50 2HG ARG 20 1HG ARG 20 7.084 -1.510 4.649 51 1HD ARG 20 2HD ARG 20 8.996 -0.158 4.437 52 2HD ARG 20 1HD ARG 20 8.314 1.102 5.461 53 HE ARG 20 HE ARG 20 8.453 -0.998 7.118 54 1HH1 ARG 20 1HH1 ARG 20 10.870 0.404 4.944 55 2HH1 ARG 20 2HH1 ARG 20 12.185 0.096 5.986 56 1HH2 ARG 20 1HH2 ARG 20 10.201 -1.336 8.555 57 2HH2 ARG 20 2HH2 ARG 20 11.786 -0.857 8.153 58 H ILE 21 H ILE 21 2.793 1.036 4.604 59 HA ILE 21 HA ILE 21 2.261 2.397 2.068 60 HB ILE 21 HB ILE 21 0.622 3.007 4.283 61 1HG1 ILE 21 2HG1 ILE 21 0.346 0.116 3.405 62 2HG1 ILE 21 1HG1 ILE 21 1.317 0.570 4.802 63 1HG2 ILE 21 1HG2 ILE 21 0.024 3.504 1.995 64 2HG2 ILE 21 2HG2 ILE 21 -1.176 2.374 2.628 65 3HG2 ILE 21 3HG2 ILE 21 0.102 1.797 1.558 66 1HD1 ILE 21 1HD1 ILE 21 -0.622 1.586 5.806 67 2HD1 ILE 21 2HD1 ILE 21 -0.881 -0.140 5.483 68 3HD1 ILE 21 3HD1 ILE 21 -1.603 1.095 4.433 69 H HIS 22 H HIS 22 2.638 4.470 2.031 70 HA HIS 22 HA HIS 22 3.424 5.752 4.556 71 1HB HIS 22 2HB HIS 22 3.575 6.832 1.701 72 2HB HIS 22 1HB HIS 22 4.202 7.673 3.108 73 HD1 HIS 22 1HD HIS 22 6.349 7.252 1.062 74 HD2 HIS 22 2HD HIS 22 5.365 4.266 3.805 75 HE1 HIS 22 1HE HIS 22 8.255 5.671 1.060 76 HE2 HIS 22 2HE HIS 22 7.755 4.018 2.875 77 H LEU 23 H LEU 23 1.849 6.696 5.670 78 HA LEU 23 HA LEU 23 -0.614 7.248 4.256 79 1HB LEU 23 2HB LEU 23 -0.952 5.762 6.082 80 2HB LEU 23 1HB LEU 23 -0.112 6.827 7.186 81 HG LEU 23 HG LEU 23 -1.943 8.442 7.068 82 1HD1 LEU 23 1HD1 LEU 23 -2.700 8.073 4.804 83 2HD1 LEU 23 2HD1 LEU 23 -4.042 7.911 5.939 84 3HD1 LEU 23 3HD1 LEU 23 -3.297 6.472 5.242 85 1HD2 LEU 23 1HD2 LEU 23 -3.654 7.118 8.213 86 2HD2 LEU 23 2HD2 LEU 23 -2.026 6.719 8.765 87 3HD2 LEU 23 3HD2 LEU 23 -2.871 5.640 7.651 88 H CYS 24 H CYS 24 0.290 8.743 7.141 89 HA CYS 24 HA CYS 24 0.271 10.915 7.890 90 1HB CYS 24 2HB CYS 24 1.086 11.528 5.070 91 2HB CYS 24 1HB CYS 24 1.023 12.704 6.365 92 H GLN 25 H GLN 25 -0.670 12.998 7.725 93 HA GLN 25 HA GLN 25 -2.664 13.482 5.705 94 1HB GLN 25 2HB GLN 25 -3.118 13.809 8.710 95 2HB GLN 25 1HB GLN 25 -4.147 14.559 7.494 96 1HG GLN 25 2HG GLN 25 -4.787 12.365 6.648 97 2HG GLN 25 1HG GLN 25 -3.704 11.592 7.792 98 1HE2 GLN 25 1HE2 GLN 25 -4.465 13.397 9.983 99 2HE2 GLN 25 2HE2 GLN 25 -6.028 12.876 10.477 100 H ARG 26 H ARG 26 -0.708 14.387 4.981 101 HA ARG 26 HA ARG 26 0.038 16.954 6.193 102 1HB ARG 26 2HB ARG 26 1.689 15.246 6.795 103 2HB ARG 26 1HB ARG 26 1.871 14.806 5.106 104 1HG ARG 26 2HG ARG 26 2.729 17.097 4.671 105 2HG ARG 26 1HG ARG 26 2.677 17.392 6.410 106 1HD ARG 26 2HD ARG 26 4.216 15.521 6.765 107 2HD ARG 26 1HD ARG 26 4.268 15.232 5.027 108 HE ARG 26 HE ARG 26 5.103 17.809 6.152 109 1HH1 ARG 26 1HH1 ARG 26 5.901 14.941 4.185 110 2HH1 ARG 26 2HH1 ARG 26 7.433 15.509 3.735 111 1HH2 ARG 26 1HH2 ARG 26 7.187 18.591 5.498 112 2HH2 ARG 26 2HH2 ARG 26 8.167 17.710 4.441 113 H SER 27 H SER 27 1.079 15.062 3.231 114 HA SER 27 HA SER 27 0.818 17.481 1.682 115 1HB SER 27 2HB SER 27 1.877 14.729 0.983 116 2HB SER 27 1HB SER 27 2.222 16.253 0.153 117 HG SER 27 HG SER 27 3.695 16.705 1.589 118 HA PRO 28 HA PRO 28 -2.628 16.513 -1.249 119 1HB PRO 28 2HB PRO 28 -1.029 14.385 -2.581 120 2HB PRO 28 1HB PRO 28 -2.028 15.656 -3.292 121 1HG PRO 28 2HG PRO 28 0.759 15.746 -2.940 122 2HG PRO 28 1HG PRO 28 -0.294 17.114 -3.332 123 1HD PRO 28 2HD PRO 28 1.197 16.760 -0.968 124 2HD PRO 28 1HD PRO 28 -0.082 17.961 -1.236 125 H GLY 29 H GLY 29 -0.974 13.384 -0.681 126 1HA GLY 29 2HA GLY 29 -1.758 11.394 0.241 127 2HA GLY 29 1HA GLY 29 -3.019 12.345 1.011 128 H SER 30 H SER 30 -4.626 10.727 0.617 129 HA SER 30 HA SER 30 -6.135 11.189 -1.614 130 1HB SER 30 2HB SER 30 -4.440 9.826 -2.882 131 2HB SER 30 1HB SER 30 -4.815 8.505 -1.764 132 HG SER 30 HG SER 30 -6.016 8.993 -4.007 133 H GLN 31 H GLN 31 -7.834 9.820 -1.806 134 HA GLN 31 HA GLN 31 -8.961 9.208 0.799 135 1HB GLN 31 2HB GLN 31 -11.154 9.256 -0.277 136 2HB GLN 31 1HB GLN 31 -10.278 10.703 -0.728 137 1HG GLN 31 2HG GLN 31 -10.342 8.297 -2.532 138 2HG GLN 31 1HG GLN 31 -11.665 9.450 -2.516 139 1HE2 GLN 31 1HE2 GLN 31 -11.216 9.850 -4.725 140 2HE2 GLN 31 2HE2 GLN 31 -9.908 10.869 -5.194 141 H GLY 32 H GLY 32 -8.044 7.824 -2.226 142 1HA GLY 32 2HA GLY 32 -9.140 5.271 -1.768 143 2HA GLY 32 1HA GLY 32 -7.783 5.649 -2.831 144 H VAL 33 H VAL 33 -6.368 7.020 -0.763 145 HA VAL 33 HA VAL 33 -4.872 4.814 0.273 146 HB VAL 33 HB VAL 33 -4.774 7.694 1.223 147 1HG1 VAL 33 1HG1 VAL 33 -2.505 7.154 1.977 148 2HG1 VAL 33 2HG1 VAL 33 -2.731 5.483 1.461 149 3HG1 VAL 33 3HG1 VAL 33 -3.704 6.138 2.778 150 1HG2 VAL 33 1HG2 VAL 33 -4.389 7.538 -1.139 151 2HG2 VAL 33 2HG2 VAL 33 -3.165 6.297 -0.871 152 3HG2 VAL 33 3HG2 VAL 33 -2.898 7.941 -0.290 153 H ARG 34 H ARG 34 -6.502 7.383 2.040 154 HA ARG 34 HA ARG 34 -6.634 6.176 4.498 155 1HB ARG 34 2HB ARG 34 -8.589 7.457 4.971 156 2HB ARG 34 1HB ARG 34 -7.260 8.498 4.374 157 1HG ARG 34 2HG ARG 34 -8.865 7.940 2.183 158 2HG ARG 34 1HG ARG 34 -9.984 7.892 3.511 159 1HD ARG 34 2HD ARG 34 -8.169 10.222 2.942 160 2HD ARG 34 1HD ARG 34 -9.911 10.165 2.683 161 HE ARG 34 HE ARG 34 -9.791 9.610 5.270 162 1HH1 ARG 34 1HH1 ARG 34 -7.975 12.112 3.504 163 2HH1 ARG 34 2HH1 ARG 34 -7.976 13.186 4.834 164 1HH2 ARG 34 1HH2 ARG 34 -9.694 10.999 7.008 165 2HH2 ARG 34 2HH2 ARG 34 -8.961 12.554 6.909 166 H ASP 35 H ASP 35 -9.072 5.900 1.997 167 HA ASP 35 HA ASP 35 -10.809 4.295 3.391 168 1HB ASP 35 2HB ASP 35 -10.291 4.575 0.453 169 2HB ASP 35 1HB ASP 35 -11.171 3.218 0.980 170 H PHE 36 H PHE 36 -8.130 3.314 1.328 171 HA PHE 36 HA PHE 36 -8.279 0.618 1.844 172 1HB PHE 36 2HB PHE 36 -6.654 1.114 0.205 173 2HB PHE 36 1HB PHE 36 -6.192 2.563 1.048 174 HD1 PHE 36 1HD PHE 36 -5.290 -0.885 0.265 175 HD2 PHE 36 2HD PHE 36 -4.641 2.331 2.998 176 HE1 PHE 36 1HE PHE 36 -3.121 -1.762 0.769 177 HE2 PHE 36 2HE PHE 36 -2.455 1.393 3.511 178 HZ PHE 36 HZ PHE 36 -1.677 -0.644 2.396 179 H ILE 37 H ILE 37 -6.581 3.026 3.481 180 HA ILE 37 HA ILE 37 -5.266 1.652 5.528 181 HB ILE 37 HB ILE 37 -6.632 4.231 5.995 182 1HG1 ILE 37 2HG1 ILE 37 -5.381 4.872 4.023 183 2HG1 ILE 37 1HG1 ILE 37 -4.565 5.467 5.416 184 1HG2 ILE 37 1HG2 ILE 37 -5.718 3.394 8.009 185 2HG2 ILE 37 2HG2 ILE 37 -4.741 4.783 7.529 186 3HG2 ILE 37 3HG2 ILE 37 -4.141 3.146 7.259 187 1HD1 ILE 37 1HD1 ILE 37 -3.122 4.617 3.734 188 2HD1 ILE 37 2HD1 ILE 37 -3.722 2.977 4.025 189 3HD1 ILE 37 3HD1 ILE 37 -2.851 3.858 5.308 190 H GLU 38 H GLU 38 -8.678 2.634 5.446 191 HA GLU 38 HA GLU 38 -8.921 1.693 8.202 192 1HB GLU 38 2HB GLU 38 -10.804 3.239 8.624 193 2HB GLU 38 1HB GLU 38 -9.292 4.055 8.290 194 1HG GLU 38 2HG GLU 38 -10.087 4.442 5.974 195 2HG GLU 38 1HG GLU 38 -11.639 3.747 6.442 196 H LYS 39 H LYS 39 -10.778 2.025 5.283 197 HA LYS 39 HA LYS 39 -12.920 0.330 6.104 198 1HB LYS 39 2HB LYS 39 -13.296 2.089 4.476 199 2HB LYS 39 1HB LYS 39 -12.020 1.429 3.456 200 1HG LYS 39 2HG LYS 39 -13.409 -0.616 3.135 201 2HG LYS 39 1HG LYS 39 -14.711 0.186 4.016 202 1HD LYS 39 2HD LYS 39 -14.823 1.926 2.356 203 2HD LYS 39 1HD LYS 39 -13.408 1.282 1.530 204 1HE LYS 39 2HE LYS 39 -16.045 -0.161 1.848 205 2HE LYS 39 1HE LYS 39 -15.535 0.707 0.404 206 1HZ LYS 39 1HZ LYS 39 -15.207 -1.674 0.250 207 2HZ LYS 39 2HZ LYS 39 -14.128 -1.693 1.529 208 3HZ LYS 39 3HZ LYS 39 -13.745 -0.892 0.075 209 H ARG 40 H ARG 40 -9.942 0.041 4.182 210 HA ARG 40 HA ARG 40 -10.940 -2.539 3.362 211 1HB ARG 40 2HB ARG 40 -10.438 -0.908 1.630 212 2HB ARG 40 1HB ARG 40 -8.793 -0.779 2.216 213 1HG ARG 40 2HG ARG 40 -8.830 -2.116 0.260 214 2HG ARG 40 1HG ARG 40 -8.444 -3.129 1.644 215 1HD ARG 40 2HD ARG 40 -10.702 -4.004 1.671 216 2HD ARG 40 1HD ARG 40 -11.167 -2.914 0.357 217 HE ARG 40 HE ARG 40 -9.002 -4.290 -0.583 218 1HH1 ARG 40 1HH1 ARG 40 -12.260 -5.183 0.465 219 2HH1 ARG 40 2HH1 ARG 40 -12.303 -6.590 -0.487 220 1HH2 ARG 40 1HH2 ARG 40 -9.076 -6.268 -1.849 221 2HH2 ARG 40 2HH2 ARG 40 -10.517 -7.193 -1.822 222 H TYR 41 H TYR 41 -8.504 -0.974 5.258 223 HA TYR 41 HA TYR 41 -6.266 -2.471 5.308 224 1HB TYR 41 2HB TYR 41 -6.980 -0.656 6.942 225 2HB TYR 41 1HB TYR 41 -7.822 -1.899 7.773 226 HD1 TYR 41 1HD TYR 41 -6.844 -3.380 9.265 227 HD2 TYR 41 2HD TYR 41 -4.399 -0.803 6.940 228 HE1 TYR 41 1HE TYR 41 -4.996 -3.948 10.673 229 HE2 TYR 41 2HE TYR 41 -2.469 -1.352 8.350 230 HH TYR 41 HH TYR 41 -2.134 -2.110 10.656 231 H VAL 42 H VAL 42 -8.735 -3.555 7.537 232 HA VAL 42 HA VAL 42 -7.444 -5.949 8.098 233 HB VAL 42 HB VAL 42 -8.961 -5.145 9.670 234 1HG1 VAL 42 1HG1 VAL 42 -11.072 -5.059 7.533 235 2HG1 VAL 42 2HG1 VAL 42 -10.129 -3.722 8.195 236 3HG1 VAL 42 3HG1 VAL 42 -11.278 -4.579 9.240 237 1HG2 VAL 42 1HG2 VAL 42 -10.366 -7.461 8.321 238 2HG2 VAL 42 2HG2 VAL 42 -10.659 -6.909 9.975 239 3HG2 VAL 42 3HG2 VAL 42 -9.082 -7.565 9.529 240 H GLU 43 H GLU 43 -9.807 -5.185 5.662 241 HA GLU 43 HA GLU 43 -10.174 -7.887 4.639 242 1HB GLU 43 2HB GLU 43 -10.659 -5.212 3.304 243 2HB GLU 43 1HB GLU 43 -11.325 -6.769 2.840 244 1HG GLU 43 2HG GLU 43 -11.961 -5.298 5.390 245 2HG GLU 43 1HG GLU 43 -12.960 -5.306 3.938 246 H LEU 44 H LEU 44 -7.811 -5.277 4.190 247 HA LEU 44 HA LEU 44 -6.863 -6.280 1.731 248 1HB LEU 44 2HB LEU 44 -6.494 -4.065 1.889 249 2HB LEU 44 1HB LEU 44 -6.614 -4.081 3.623 250 HG LEU 44 HG LEU 44 -4.195 -4.961 3.501 251 1HD1 LEU 44 1HD1 LEU 44 -4.055 -5.374 1.176 252 2HD1 LEU 44 2HD1 LEU 44 -2.911 -4.119 1.699 253 3HD1 LEU 44 3HD1 LEU 44 -4.403 -3.666 0.862 254 1HD2 LEU 44 1HD2 LEU 44 -4.942 -2.131 2.921 255 2HD2 LEU 44 2HD2 LEU 44 -3.404 -2.683 3.584 256 3HD2 LEU 44 3HD2 LEU 44 -4.893 -2.909 4.502 257 H LYS 45 H LYS 45 -6.202 -6.539 5.117 258 HA LYS 45 HA LYS 45 -3.790 -7.975 4.936 259 1HB LYS 45 2HB LYS 45 -4.500 -6.816 6.986 260 2HB LYS 45 1HB LYS 45 -5.845 -7.935 7.161 261 1HG LYS 45 2HG LYS 45 -4.305 -9.771 7.508 262 2HG LYS 45 1HG LYS 45 -2.933 -8.699 7.234 263 1HD LYS 45 2HD LYS 45 -3.601 -7.379 9.202 264 2HD LYS 45 1HD LYS 45 -4.937 -8.497 9.479 265 1HE LYS 45 2HE LYS 45 -3.000 -8.992 10.912 266 2HE LYS 45 1HE LYS 45 -3.381 -10.324 9.825 267 1HZ LYS 45 1HZ LYS 45 -1.554 -9.725 8.423 268 2HZ LYS 45 2HZ LYS 45 -0.944 -9.773 9.995 269 3HZ LYS 45 3HZ LYS 45 -1.291 -8.292 9.270 270 H LYS 46 H LYS 46 -7.185 -8.964 5.208 271 HA LYS 46 HA LYS 46 -6.434 -11.728 5.174 272 1HB LYS 46 2HB LYS 46 -8.756 -12.260 5.228 273 2HB LYS 46 1HB LYS 46 -8.503 -10.895 6.298 274 1HG LYS 46 2HG LYS 46 -9.167 -9.796 3.787 275 2HG LYS 46 1HG LYS 46 -10.195 -11.114 3.937 276 1HD LYS 46 2HD LYS 46 -10.003 -9.097 6.147 277 2HD LYS 46 1HD LYS 46 -11.327 -9.267 5.000 278 1HE LYS 46 2HE LYS 46 -10.449 -11.440 6.905 279 2HE LYS 46 1HE LYS 46 -11.721 -10.283 7.264 280 1HZ LYS 46 1HZ LYS 46 -11.803 -12.153 4.929 281 2HZ LYS 46 2HZ LYS 46 -13.055 -11.159 5.532 282 3HZ LYS 46 3HZ LYS 46 -12.475 -12.447 6.449 283 H ALA 47 H ALA 47 -7.356 -9.352 2.714 284 HA ALA 47 HA ALA 47 -8.099 -11.335 1.034 285 1HB ALA 47 1HB ALA 47 -7.553 -8.463 0.319 286 2HB ALA 47 2HB ALA 47 -9.101 -9.191 0.751 287 3HB ALA 47 3HB ALA 47 -8.316 -9.626 -0.766 288 H ASN 48 H ASN 48 -5.080 -9.844 1.788 289 HA ASN 48 HA ASN 48 -3.702 -11.104 -0.394 290 1HB ASN 48 2HB ASN 48 -2.821 -8.407 0.721 291 2HB ASN 48 1HB ASN 48 -2.201 -9.243 -0.666 292 1HD2 ASN 48 1HD2 ASN 48 -2.939 -6.473 -0.715 293 2HD2 ASN 48 2HD2 ASN 48 -4.273 -6.314 -1.764 294 HA PRO 49 HA PRO 49 -2.636 -12.618 3.790 295 1HB PRO 49 2HB PRO 49 -1.518 -14.911 2.804 296 2HB PRO 49 1HB PRO 49 -3.251 -14.709 3.096 297 1HG PRO 49 2HG PRO 49 -1.702 -14.319 0.572 298 2HG PRO 49 1HG PRO 49 -3.191 -15.236 0.785 299 1HD PRO 49 2HD PRO 49 -3.264 -12.767 -0.208 300 2HD PRO 49 1HD PRO 49 -4.491 -13.117 1.008 301 H ASP 50 H ASP 50 -0.561 -13.206 1.222 302 HA ASP 50 HA ASP 50 1.848 -12.754 2.851 303 1HB ASP 50 2HB ASP 50 1.832 -14.574 1.150 304 2HB ASP 50 1HB ASP 50 1.679 -13.370 -0.121 305 H LEU 51 H LEU 51 0.284 -10.516 2.727 306 HA LEU 51 HA LEU 51 1.929 -8.720 1.155 307 1HB LEU 51 2HB LEU 51 -0.403 -9.022 0.391 308 2HB LEU 51 1HB LEU 51 -1.033 -8.422 1.882 309 HG LEU 51 HG LEU 51 -1.263 -6.784 0.146 310 1HD1 LEU 51 1HD1 LEU 51 -0.086 -4.844 0.961 311 2HD1 LEU 51 2HD1 LEU 51 0.959 -5.881 1.932 312 3HD1 LEU 51 3HD1 LEU 51 -0.769 -5.798 2.277 313 1HD2 LEU 51 1HD2 LEU 51 0.615 -5.859 -1.054 314 2HD2 LEU 51 2HD2 LEU 51 0.392 -7.581 -1.351 315 3HD2 LEU 51 3HD2 LEU 51 1.675 -7.027 -0.273 316 HA PRO 52 HA PRO 52 2.587 -7.583 5.746 317 1HB PRO 52 2HB PRO 52 4.568 -5.934 4.378 318 2HB PRO 52 1HB PRO 52 4.709 -6.928 5.825 319 1HG PRO 52 2HG PRO 52 5.733 -7.597 3.426 320 2HG PRO 52 1HG PRO 52 5.199 -8.828 4.555 321 1HD PRO 52 2HD PRO 52 3.967 -7.845 2.040 322 2HD PRO 52 1HD PRO 52 3.767 -9.417 2.838 323 H ILE 53 H ILE 53 1.626 -5.897 6.556 324 HA ILE 53 HA ILE 53 1.054 -3.563 4.818 325 HB ILE 53 HB ILE 53 -0.923 -4.887 6.733 326 1HG1 ILE 53 2HG1 ILE 53 -0.888 -4.832 3.726 327 2HG1 ILE 53 1HG1 ILE 53 -0.387 -6.192 4.711 328 1HG2 ILE 53 1HG2 ILE 53 -1.315 -2.599 4.782 329 2HG2 ILE 53 2HG2 ILE 53 -1.381 -2.482 6.550 330 3HG2 ILE 53 3HG2 ILE 53 -2.598 -3.412 5.665 331 1HD1 ILE 53 1HD1 ILE 53 -3.127 -5.002 4.636 332 2HD1 ILE 53 2HD1 ILE 53 -2.638 -6.451 5.528 333 3HD1 ILE 53 3HD1 ILE 53 -2.607 -6.425 3.759 334 H LEU 54 H LEU 54 2.532 -2.237 5.764 335 HA LEU 54 HA LEU 54 2.169 -1.736 8.648 336 1HB LEU 54 2HB LEU 54 4.715 -1.440 7.040 337 2HB LEU 54 1HB LEU 54 4.529 -0.960 8.705 338 HG LEU 54 HG LEU 54 5.737 -2.946 8.746 339 1HD1 LEU 54 1HD1 LEU 54 2.907 -3.658 9.388 340 2HD1 LEU 54 2HD1 LEU 54 4.102 -2.914 10.453 341 3HD1 LEU 54 3HD1 LEU 54 4.329 -4.570 9.895 342 1HD2 LEU 54 1HD2 LEU 54 5.064 -5.048 7.644 343 2HD2 LEU 54 2HD2 LEU 54 5.377 -3.749 6.494 344 3HD2 LEU 54 3HD2 LEU 54 3.716 -4.196 6.886 345 H ILE 55 H ILE 55 1.372 0.188 9.111 346 HA ILE 55 HA ILE 55 1.214 2.284 7.205 347 HB ILE 55 HB ILE 55 0.464 2.057 10.133 348 1HG1 ILE 55 2HG1 ILE 55 -1.225 1.306 8.369 349 2HG1 ILE 55 1HG1 ILE 55 -1.792 2.596 9.413 350 1HG2 ILE 55 1HG2 ILE 55 1.458 4.255 10.038 351 2HG2 ILE 55 2HG2 ILE 55 -0.290 4.391 10.230 352 3HG2 ILE 55 3HG2 ILE 55 0.448 4.684 8.656 353 1HD1 ILE 55 1HD1 ILE 55 -1.362 4.209 7.679 354 2HD1 ILE 55 2HD1 ILE 55 -2.410 2.916 7.099 355 3HD1 ILE 55 3HD1 ILE 55 -0.708 2.945 6.639 356 H ARG 56 H ARG 56 2.778 3.426 6.671 357 HA ARG 56 HA ARG 56 4.916 4.147 8.555 358 1HB ARG 56 2HB ARG 56 5.028 3.886 5.567 359 2HB ARG 56 1HB ARG 56 6.324 4.485 6.571 360 1HG ARG 56 2HG ARG 56 5.189 1.714 6.804 361 2HG ARG 56 1HG ARG 56 6.617 2.133 5.870 362 1HD ARG 56 2HD ARG 56 7.465 1.324 7.891 363 2HD ARG 56 1HD ARG 56 7.556 3.072 8.054 364 HE ARG 56 HE ARG 56 5.161 1.908 9.138 365 1HH1 ARG 56 1HH1 ARG 56 8.454 3.007 9.841 366 2HH1 ARG 56 2HH1 ARG 56 8.301 2.861 11.513 367 1HH2 ARG 56 1HH2 ARG 56 4.947 1.630 11.432 368 2HH2 ARG 56 2HH2 ARG 56 6.271 2.023 12.445 369 H GLU 57 H GLU 57 6.021 6.139 7.710 370 HA GLU 57 HA GLU 57 3.929 8.135 7.390 371 1HB GLU 57 2HB GLU 57 5.439 8.131 9.401 372 2HB GLU 57 1HB GLU 57 6.775 8.501 8.324 373 1HG GLU 57 2HG GLU 57 5.784 10.603 7.752 374 2HG GLU 57 1HG GLU 57 4.338 10.212 8.688 375 H CYS 58 H CYS 58 4.572 10.066 6.118 376 HA CYS 58 HA CYS 58 5.445 9.229 3.480 377 1HB CYS 58 2HB CYS 58 4.362 11.348 2.868 378 2HB CYS 58 1HB CYS 58 3.292 10.278 3.776 379 H SER 59 H SER 59 6.519 11.110 2.228 380 HA SER 59 HA SER 59 8.114 12.897 3.816 381 1HB SER 59 2HB SER 59 9.416 10.955 1.878 382 2HB SER 59 1HB SER 59 10.242 12.265 2.725 383 HG SER 59 HG SER 59 8.984 10.991 4.560 384 H ASP 60 H ASP 60 7.415 11.795 0.465 385 HA ASP 60 HA ASP 60 7.748 14.578 -0.357 386 1HB ASP 60 2HB ASP 60 9.042 12.980 -1.644 387 2HB ASP 60 1HB ASP 60 7.581 12.132 -2.117 388 H VAL 61 H VAL 61 5.649 12.670 -2.418 389 HA VAL 61 HA VAL 61 3.645 14.711 -2.491 390 HB VAL 61 HB VAL 61 4.446 12.978 -4.148 391 1HG1 VAL 61 1HG1 VAL 61 2.249 11.334 -2.977 392 2HG1 VAL 61 2HG1 VAL 61 3.963 10.945 -3.114 393 3HG1 VAL 61 3HG1 VAL 61 2.967 11.042 -4.562 394 1HG2 VAL 61 1HG2 VAL 61 2.358 13.169 -5.520 395 2HG2 VAL 61 2HG2 VAL 61 2.892 14.691 -4.803 396 3HG2 VAL 61 3HG2 VAL 61 1.546 13.803 -4.088 397 H GLN 62 H GLN 62 4.131 12.078 -0.841 398 HA GLN 62 HA GLN 62 3.350 11.747 1.354 399 1HB GLN 62 2HB GLN 62 1.503 13.404 1.226 400 2HB GLN 62 1HB GLN 62 0.511 12.160 0.460 401 1HG GLN 62 2HG GLN 62 0.783 10.758 2.428 402 2HG GLN 62 1HG GLN 62 1.736 12.026 3.191 403 1HE2 GLN 62 1HE2 GLN 62 -1.351 10.871 2.494 404 2HE2 GLN 62 2HE2 GLN 62 -2.235 12.124 3.294 405 HA PRO 63 HA PRO 63 1.028 7.803 0.692 406 1HB PRO 63 2HB PRO 63 -0.650 7.330 -1.323 407 2HB PRO 63 1HB PRO 63 -1.164 8.213 0.098 408 1HG PRO 63 2HG PRO 63 -0.563 9.162 -2.628 409 2HG PRO 63 1HG PRO 63 -1.622 9.889 -1.417 410 1HD PRO 63 2HD PRO 63 1.004 10.695 -2.108 411 2HD PRO 63 1HD PRO 63 0.045 11.279 -0.740 412 H LYS 64 H LYS 64 3.057 6.986 0.142 413 HA LYS 64 HA LYS 64 3.285 5.974 -2.657 414 1HB LYS 64 2HB LYS 64 5.389 6.318 -0.510 415 2HB LYS 64 1HB LYS 64 5.624 5.348 -1.935 416 1HG LYS 64 2HG LYS 64 6.751 7.388 -2.161 417 2HG LYS 64 1HG LYS 64 5.396 7.399 -3.302 418 1HD LYS 64 2HD LYS 64 4.320 9.176 -2.011 419 2HD LYS 64 1HD LYS 64 5.168 8.525 -0.641 420 1HE LYS 64 2HE LYS 64 6.018 10.750 -1.556 421 2HE LYS 64 1HE LYS 64 7.170 9.501 -1.104 422 1HZ LYS 64 1HZ LYS 64 6.402 10.322 -3.885 423 2HZ LYS 64 2HZ LYS 64 7.214 8.891 -3.545 424 3HZ LYS 64 3HZ LYS 64 7.911 10.323 -3.138 425 H LEU 65 H LEU 65 3.732 3.961 -3.020 426 HA LEU 65 HA LEU 65 2.885 2.040 -0.997 427 1HB LEU 65 2HB LEU 65 2.140 2.336 -3.511 428 2HB LEU 65 1HB LEU 65 3.636 1.607 -3.791 429 HG LEU 65 HG LEU 65 3.181 -0.465 -2.781 430 1HD1 LEU 65 1HD1 LEU 65 2.019 0.318 -0.800 431 2HD1 LEU 65 2HD1 LEU 65 1.119 -0.970 -1.600 432 3HD1 LEU 65 3HD1 LEU 65 0.604 0.708 -1.777 433 1HD2 LEU 65 1HD2 LEU 65 1.273 -1.258 -4.052 434 2HD2 LEU 65 2HD2 LEU 65 2.230 -0.133 -5.027 435 3HD2 LEU 65 3HD2 LEU 65 0.720 0.395 -4.278 436 H TRP 66 H TRP 66 4.788 1.662 0.193 437 HA TRP 66 HA TRP 66 7.100 1.312 -1.399 438 1HB TRP 66 2HB TRP 66 7.687 2.380 0.632 439 2HB TRP 66 1HB TRP 66 6.672 1.310 1.598 440 HD1 TRP 66 HD TRP 66 7.839 -0.737 2.682 441 HE1 TRP 66 1HE TRP 66 10.108 -1.849 2.517 442 HE3 TRP 66 3HE TRP 66 9.606 2.003 -1.151 443 HZ2 TRP 66 2HZ TRP 66 12.463 -1.531 0.821 444 HZ3 TRP 66 3HZ TRP 66 11.822 1.560 -2.015 445 HH2 TRP 66 HH TRP 66 13.186 -0.097 -1.143 446 H ALA 67 H ALA 67 7.587 -0.590 -2.172 447 HA ALA 67 HA ALA 67 6.583 -3.007 -0.870 448 1HB ALA 67 1HB ALA 67 5.409 -2.605 -2.969 449 2HB ALA 67 2HB ALA 67 6.447 -4.025 -3.082 450 3HB ALA 67 3HB ALA 67 6.952 -2.504 -3.818 451 H ARG 68 H ARG 68 8.053 -4.599 -0.575 452 HA ARG 68 HA ARG 68 10.552 -4.472 -1.912 453 1HB ARG 68 2HB ARG 68 10.694 -3.470 0.486 454 2HB ARG 68 1HB ARG 68 10.333 -5.107 1.034 455 1HG ARG 68 2HG ARG 68 12.644 -5.034 1.064 456 2HG ARG 68 1HG ARG 68 12.227 -5.821 -0.469 457 1HD ARG 68 2HD ARG 68 12.365 -3.298 -1.392 458 2HD ARG 68 1HD ARG 68 13.336 -3.108 0.024 459 HE ARG 68 HE ARG 68 14.080 -5.381 -1.515 460 1HH1 ARG 68 1HH1 ARG 68 14.677 -1.969 -0.845 461 2HH1 ARG 68 2HH1 ARG 68 16.148 -1.908 -1.694 462 1HH2 ARG 68 1HH2 ARG 68 16.059 -5.300 -2.763 463 2HH2 ARG 68 2HH2 ARG 68 16.916 -3.829 -2.850 464 H TYR 69 H TYR 69 10.076 -6.013 -2.964 465 HA TYR 69 HA TYR 69 8.281 -8.159 -2.248 466 1HB TYR 69 2HB TYR 69 10.059 -8.254 -4.680 467 2HB TYR 69 1HB TYR 69 8.492 -8.997 -4.450 468 HD1 TYR 69 1HD TYR 69 6.419 -7.437 -4.467 469 HD2 TYR 69 2HD TYR 69 10.307 -6.184 -5.657 470 HE1 TYR 69 1HE TYR 69 5.450 -5.629 -5.686 471 HE2 TYR 69 2HE TYR 69 9.329 -4.320 -6.904 472 HH TYR 69 HH TYR 69 7.252 -3.787 -7.942 473 H ALA 70 H ALA 70 8.897 -10.553 -2.601 474 HA ALA 70 HA ALA 70 11.579 -11.187 -1.584 475 1HB ALA 70 1HB ALA 70 9.568 -12.416 -0.696 476 2HB ALA 70 2HB ALA 70 10.752 -13.486 -1.447 477 3HB ALA 70 3HB ALA 70 9.287 -13.044 -2.320 478 H PHE 71 H PHE 71 10.221 -10.551 -4.454 479 HA PHE 71 HA PHE 71 12.044 -12.044 -6.058 480 1HB PHE 71 2HB PHE 71 10.827 -9.301 -6.555 481 2HB PHE 71 1HB PHE 71 11.577 -10.327 -7.768 482 HD1 PHE 71 1HD PHE 71 8.568 -9.600 -5.904 483 HD2 PHE 71 2HD PHE 71 10.431 -12.409 -8.484 484 HE1 PHE 71 1HE PHE 71 6.376 -10.581 -6.399 485 HE2 PHE 71 2HE PHE 71 8.236 -13.394 -8.985 486 HZ PHE 71 HZ PHE 71 6.208 -12.481 -7.943 487 H GLY 72 H GLY 72 12.096 -9.469 -3.855 488 1HA GLY 72 2HA GLY 72 13.794 -8.703 -2.694 489 2HA GLY 72 1HA GLY 72 14.924 -9.393 -3.825 490 H GLN 73 H GLN 73 12.594 -7.683 -5.445 491 HA GLN 73 HA GLN 73 14.252 -5.325 -5.804 492 1HB GLN 73 2HB GLN 73 11.638 -6.116 -7.132 493 2HB GLN 73 1HB GLN 73 12.643 -4.761 -7.594 494 1HG GLN 73 2HG GLN 73 14.442 -6.305 -8.199 495 2HG GLN 73 1HG GLN 73 13.409 -7.664 -7.757 496 1HE2 GLN 73 1HE2 GLN 73 13.393 -8.522 -9.832 497 2HE2 GLN 73 2HE2 GLN 73 12.517 -7.759 -11.110 498 H GLU 74 H GLU 74 12.980 -3.156 -5.861 499 HA GLU 74 HA GLU 74 10.979 -3.155 -3.737 500 1HB GLU 74 2HB GLU 74 11.975 -1.249 -2.733 501 2HB GLU 74 1HB GLU 74 13.229 -2.462 -2.900 502 1HG GLU 74 2HG GLU 74 12.825 -0.167 -4.774 503 2HG GLU 74 1HG GLU 74 13.916 -0.102 -3.395 504 H THR 75 H THR 75 9.859 -0.986 -3.702 505 HA THR 75 HA THR 75 10.089 0.785 -5.838 506 HB THR 75 HB THR 75 8.744 -1.189 -6.931 507 HG1 THR 75 1HG THR 75 8.715 0.873 -7.840 508 1HG2 THR 75 1HG2 THR 75 6.333 -1.236 -6.446 509 2HG2 THR 75 2HG2 THR 75 6.575 -0.064 -5.149 510 3HG2 THR 75 3HG2 THR 75 7.278 -1.676 -5.023 511 H ASN 76 H ASN 76 8.995 2.627 -5.260 512 HA ASN 76 HA ASN 76 7.346 2.538 -2.863 513 1HB ASN 76 2HB ASN 76 8.684 4.698 -2.104 514 2HB ASN 76 1HB ASN 76 9.328 3.108 -1.734 515 1HD2 ASN 76 1HD2 ASN 76 11.403 2.442 -2.689 516 2HD2 ASN 76 2HD2 ASN 76 12.250 3.568 -3.672 517 H VAL 77 H VAL 77 5.440 3.207 -3.714 518 HA VAL 77 HA VAL 77 5.721 5.621 -5.325 519 HB VAL 77 HB VAL 77 6.194 4.406 -6.649 520 1HG1 VAL 77 1HG1 VAL 77 4.872 2.214 -7.555 521 2HG1 VAL 77 2HG1 VAL 77 3.820 2.500 -6.167 522 3HG1 VAL 77 3HG1 VAL 77 5.523 2.117 -5.917 523 1HG2 VAL 77 1HG2 VAL 77 4.749 5.844 -7.803 524 2HG2 VAL 77 2HG2 VAL 77 3.328 4.877 -7.412 525 3HG2 VAL 77 3HG2 VAL 77 4.473 4.308 -8.628 526 HA PRO 78 HA PRO 78 2.135 7.721 -4.082 527 1HB PRO 78 2HB PRO 78 2.526 8.451 -6.956 528 2HB PRO 78 1HB PRO 78 2.171 9.498 -5.568 529 1HG PRO 78 2HG PRO 78 4.649 9.323 -6.515 530 2HG PRO 78 1HG PRO 78 4.349 9.397 -4.767 531 1HD PRO 78 2HD PRO 78 5.117 7.043 -6.442 532 2HD PRO 78 1HD PRO 78 5.520 7.293 -4.759 533 H LEU 79 H LEU 79 0.493 6.560 -3.843 534 HA LEU 79 HA LEU 79 -0.706 5.300 -6.172 535 1HB LEU 79 2HB LEU 79 -1.642 3.601 -4.555 536 2HB LEU 79 1HB LEU 79 0.129 3.728 -4.687 537 HG LEU 79 HG LEU 79 0.336 4.579 -2.505 538 1HD1 LEU 79 1HD1 LEU 79 -1.674 6.006 -2.415 539 2HD1 LEU 79 2HD1 LEU 79 -1.568 4.927 -1.023 540 3HD1 LEU 79 3HD1 LEU 79 -2.680 4.561 -2.343 541 1HD2 LEU 79 1HD2 LEU 79 -0.653 2.722 -1.228 542 2HD2 LEU 79 2HD2 LEU 79 0.136 2.208 -2.720 543 3HD2 LEU 79 3HD2 LEU 79 -1.618 2.302 -2.650 544 H ASN 80 H ASN 80 -0.912 7.907 -5.202 545 HA ASN 80 HA ASN 80 -3.246 8.585 -3.882 546 1HB ASN 80 2HB ASN 80 -1.943 10.385 -3.942 547 2HB ASN 80 1HB ASN 80 -1.258 10.060 -5.508 548 1HD2 ASN 80 1HD2 ASN 80 -3.699 11.650 -3.720 549 2HD2 ASN 80 2HD2 ASN 80 -4.369 12.584 -5.019 550 H ASN 81 H ASN 81 -3.015 7.470 -7.015 551 HA ASN 81 HA ASN 81 -5.539 8.778 -7.810 552 1HB ASN 81 2HB ASN 81 -3.555 7.289 -9.530 553 2HB ASN 81 1HB ASN 81 -5.036 8.034 -10.116 554 1HD2 ASN 81 1HD2 ASN 81 -1.827 8.564 -8.971 555 2HD2 ASN 81 2HD2 ASN 81 -1.711 10.234 -9.391 556 H PHE 82 H PHE 82 -5.179 6.106 -6.122 557 HA PHE 82 HA PHE 82 -7.140 4.635 -7.720 558 1HB PHE 82 2HB PHE 82 -5.154 3.501 -5.734 559 2HB PHE 82 1HB PHE 82 -6.339 2.596 -6.651 560 HD1 PHE 82 1HD PHE 82 -3.143 4.383 -6.787 561 HD2 PHE 82 2HD PHE 82 -5.914 1.964 -8.920 562 HE1 PHE 82 1HE PHE 82 -1.432 3.938 -8.494 563 HE2 PHE 82 2HE PHE 82 -4.209 1.517 -10.632 564 HZ PHE 82 HZ PHE 82 -1.964 2.504 -10.418 565 H SER 83 H SER 83 -8.534 3.400 -6.351 566 HA SER 83 HA SER 83 -9.261 4.910 -3.938 567 1HB SER 83 2HB SER 83 -10.918 4.632 -5.828 568 2HB SER 83 1HB SER 83 -10.965 2.913 -5.454 569 HG SER 83 HG SER 83 -12.231 3.292 -3.837 570 H ALA 84 H ALA 84 -10.618 3.179 -2.383 571 HA ALA 84 HA ALA 84 -8.716 2.017 -0.844 572 1HB ALA 84 1HB ALA 84 -11.614 1.291 -1.026 573 2HB ALA 84 2HB ALA 84 -10.828 2.515 -0.005 574 3HB ALA 84 3HB ALA 84 -10.526 0.805 0.280 575 H ASP 85 H ASP 85 -11.212 0.252 -2.619 576 HA ASP 85 HA ASP 85 -10.149 -2.320 -2.321 577 1HB ASP 85 2HB ASP 85 -12.220 -1.246 -4.256 578 2HB ASP 85 1HB ASP 85 -11.845 -2.951 -4.077 579 H GLN 86 H GLN 86 -10.009 0.016 -4.938 580 HA GLN 86 HA GLN 86 -8.510 -1.624 -6.693 581 1HB GLN 86 2HB GLN 86 -9.003 1.319 -6.655 582 2HB GLN 86 1HB GLN 86 -7.828 0.610 -7.758 583 1HG GLN 86 2HG GLN 86 -10.741 -0.120 -7.583 584 2HG GLN 86 1HG GLN 86 -9.990 0.876 -8.830 585 1HE2 GLN 86 1HE2 GLN 86 -7.584 -0.707 -8.932 586 2HE2 GLN 86 2HE2 GLN 86 -7.943 -2.193 -9.702 587 H VAL 87 H VAL 87 -7.196 0.732 -4.343 588 HA VAL 87 HA VAL 87 -4.592 0.107 -5.189 589 HB VAL 87 HB VAL 87 -3.735 0.730 -2.912 590 1HG1 VAL 87 1HG1 VAL 87 -3.975 2.464 -4.549 591 2HG1 VAL 87 2HG1 VAL 87 -4.340 3.066 -2.932 592 3HG1 VAL 87 3HG1 VAL 87 -5.650 2.715 -4.061 593 1HG2 VAL 87 1HG2 VAL 87 -5.195 1.688 -1.296 594 2HG2 VAL 87 2HG2 VAL 87 -5.510 -0.023 -1.578 595 3HG2 VAL 87 3HG2 VAL 87 -6.603 1.201 -2.254 596 H THR 88 H THR 88 -6.648 -1.531 -2.791 597 HA THR 88 HA THR 88 -4.583 -3.315 -2.122 598 HB THR 88 HB THR 88 -6.303 -4.793 -1.124 599 HG1 THR 88 1HG THR 88 -7.965 -3.236 -2.744 600 1HG2 THR 88 1HG2 THR 88 -7.033 -3.149 0.488 601 2HG2 THR 88 2HG2 THR 88 -6.574 -1.858 -0.624 602 3HG2 THR 88 3HG2 THR 88 -5.341 -2.923 0.054 603 H ARG 89 H ARG 89 -6.915 -3.690 -4.524 604 HA ARG 89 HA ARG 89 -6.062 -6.403 -5.187 605 1HB ARG 89 2HB ARG 89 -8.427 -5.679 -5.540 606 2HB ARG 89 1HB ARG 89 -7.880 -4.519 -6.734 607 1HG ARG 89 2HG ARG 89 -8.841 -6.442 -7.823 608 2HG ARG 89 1HG ARG 89 -7.111 -6.370 -8.157 609 1HD ARG 89 2HD ARG 89 -6.694 -8.079 -6.477 610 2HD ARG 89 1HD ARG 89 -8.405 -8.107 -6.053 611 HE ARG 89 HE ARG 89 -8.483 -8.639 -8.668 612 1HH1 ARG 89 1HH1 ARG 89 -6.597 -10.114 -6.036 613 2HH1 ARG 89 2HH1 ARG 89 -6.482 -11.632 -6.785 614 1HH2 ARG 89 1HH2 ARG 89 -8.342 -10.751 -9.690 615 2HH2 ARG 89 2HH2 ARG 89 -7.511 -12.016 -8.912 616 H ALA 90 H ALA 90 -5.568 -3.175 -6.553 617 HA ALA 90 HA ALA 90 -3.868 -4.092 -8.670 618 1HB ALA 90 1HB ALA 90 -3.815 -1.405 -7.269 619 2HB ALA 90 2HB ALA 90 -4.828 -1.799 -8.659 620 3HB ALA 90 3HB ALA 90 -3.071 -1.793 -8.820 621 H LEU 91 H LEU 91 -3.227 -3.149 -5.289 622 HA LEU 91 HA LEU 91 -0.484 -3.451 -5.210 623 1HB LEU 91 2HB LEU 91 -2.559 -4.142 -3.068 624 2HB LEU 91 1HB LEU 91 -1.014 -4.854 -3.011 625 HG LEU 91 HG LEU 91 0.142 -2.777 -2.786 626 1HD1 LEU 91 1HD1 LEU 91 -1.003 -0.660 -2.512 627 2HD1 LEU 91 2HD1 LEU 91 -2.531 -1.431 -2.946 628 3HD1 LEU 91 3HD1 LEU 91 -1.229 -1.324 -4.130 629 1HD2 LEU 91 1HD2 LEU 91 -0.709 -2.106 -0.601 630 2HD2 LEU 91 2HD2 LEU 91 -0.669 -3.861 -0.789 631 3HD2 LEU 91 3HD2 LEU 91 -2.199 -2.995 -0.916 632 H GLU 92 H GLU 92 -2.885 -5.975 -4.760 633 HA GLU 92 HA GLU 92 -0.871 -7.984 -4.586 634 1HB GLU 92 2HB GLU 92 -3.490 -7.889 -3.866 635 2HB GLU 92 1HB GLU 92 -3.696 -8.604 -5.415 636 1HG GLU 92 2HG GLU 92 -1.819 -9.910 -3.483 637 2HG GLU 92 1HG GLU 92 -3.550 -10.121 -3.305 638 H ASN 93 H ASN 93 -2.745 -6.884 -7.242 639 HA ASN 93 HA ASN 93 -1.828 -8.625 -9.211 640 1HB ASN 93 2HB ASN 93 -2.930 -5.930 -9.061 641 2HB ASN 93 1HB ASN 93 -2.036 -6.148 -10.527 642 1HD2 ASN 93 1HD2 ASN 93 -4.827 -6.879 -8.722 643 2HD2 ASN 93 2HD2 ASN 93 -5.659 -7.787 -9.949 644 H VAL 94 H VAL 94 -0.546 -5.398 -8.472 645 HA VAL 94 HA VAL 94 1.669 -5.602 -10.115 646 HB VAL 94 HB VAL 94 2.715 -3.925 -8.856 647 1HG1 VAL 94 1HG1 VAL 94 -0.109 -3.333 -9.862 648 2HG1 VAL 94 2HG1 VAL 94 1.361 -3.341 -10.831 649 3HG1 VAL 94 3HG1 VAL 94 1.096 -2.064 -9.642 650 1HG2 VAL 94 1HG2 VAL 94 1.835 -4.030 -6.679 651 2HG2 VAL 94 2HG2 VAL 94 0.191 -3.741 -7.249 652 3HG2 VAL 94 3HG2 VAL 94 1.386 -2.444 -7.310 653 H LEU 95 H LEU 95 1.429 -6.402 -6.772 654 HA LEU 95 HA LEU 95 4.271 -6.689 -7.008 655 1HB LEU 95 2HB LEU 95 4.301 -6.894 -4.504 656 2HB LEU 95 1HB LEU 95 3.789 -5.379 -5.227 657 HG LEU 95 HG LEU 95 1.498 -6.238 -4.996 658 1HD1 LEU 95 1HD1 LEU 95 0.971 -7.707 -3.136 659 2HD1 LEU 95 2HD1 LEU 95 2.689 -8.069 -2.944 660 3HD1 LEU 95 3HD1 LEU 95 1.846 -8.521 -4.431 661 1HD2 LEU 95 1HD2 LEU 95 1.278 -5.359 -2.710 662 2HD2 LEU 95 2HD2 LEU 95 2.243 -4.362 -3.799 663 3HD2 LEU 95 3HD2 LEU 95 3.036 -5.375 -2.593 664 H SER 96 H SER 96 1.616 -8.795 -6.577 665 HA SER 96 HA SER 96 3.383 -10.804 -5.755 666 1HB SER 96 2HB SER 96 0.636 -11.121 -6.953 667 2HB SER 96 1HB SER 96 1.538 -12.361 -6.081 668 HG SER 96 HG SER 96 -0.112 -10.826 -5.117 669 H GLY 97 H GLY 97 2.257 -9.517 -8.914 670 1HA GLY 97 2HA GLY 97 4.434 -10.985 -10.066 671 2HA GLY 97 1HA GLY 97 2.868 -11.607 -10.538 672 H LYS 98 H LYS 98 3.537 -8.108 -10.068 673 HA LYS 98 HA LYS 98 3.129 -8.020 -12.988 674 1HB LYS 98 2HB LYS 98 1.566 -6.672 -11.460 675 2HB LYS 98 1HB LYS 98 2.943 -5.663 -11.142 676 1HG LYS 98 2HG LYS 98 1.895 -6.086 -13.927 677 2HG LYS 98 1HG LYS 98 1.293 -4.822 -12.864 678 1HD LYS 98 2HD LYS 98 3.508 -3.814 -12.779 679 2HD LYS 98 1HD LYS 98 4.174 -5.138 -13.727 680 1HE LYS 98 2HE LYS 98 2.032 -3.231 -14.674 681 2HE LYS 98 1HE LYS 98 3.741 -3.136 -15.095 682 1HZ LYS 98 1HZ LYS 98 2.436 -4.239 -16.834 683 2HZ LYS 98 2HZ LYS 98 1.981 -5.465 -15.752 684 3HZ LYS 98 3HZ LYS 98 3.580 -5.277 -16.169 685 H ALA 99 H ALA 99 4.699 -6.400 -10.597 686 HA ALA 99 HA ALA 99 6.821 -5.519 -12.407 687 1HB ALA 99 1HB ALA 99 5.723 -3.868 -10.994 688 2HB ALA 99 2HB ALA 99 7.447 -3.977 -10.621 689 3HB ALA 99 3HB ALA 99 6.253 -4.734 -9.558 Start of MODEL 18 1 H GLY 15 H GLY 15 2.795 -10.950 -1.533 2 1HA GLY 15 1HA GLY 15 3.911 -13.244 -3.070 3 2HA GLY 15 2HA GLY 15 3.283 -11.777 -3.814 4 H LEU 16 H LEU 16 4.631 -10.781 -0.948 5 HA LEU 16 HA LEU 16 7.190 -10.455 -2.142 6 1HB LEU 16 2HB LEU 16 7.051 -7.986 -1.541 7 2HB LEU 16 1HB LEU 16 6.349 -8.542 -3.028 8 HG LEU 16 HG LEU 16 4.151 -8.079 -2.291 9 1HD1 LEU 16 1HD1 LEU 16 4.286 -9.074 -0.063 10 2HD1 LEU 16 2HD1 LEU 16 3.597 -7.449 -0.005 11 3HD1 LEU 16 3HD1 LEU 16 5.274 -7.721 0.490 12 1HD2 LEU 16 1HD2 LEU 16 5.460 -6.127 -2.828 13 2HD2 LEU 16 2HD2 LEU 16 5.981 -5.992 -1.150 14 3HD2 LEU 16 3HD2 LEU 16 4.282 -5.767 -1.567 15 H ARG 17 H ARG 17 8.341 -8.759 -0.518 16 HA ARG 17 HA ARG 17 8.450 -10.283 1.908 17 1HB ARG 17 2HB ARG 17 10.099 -7.911 1.047 18 2HB ARG 17 1HB ARG 17 10.419 -8.943 2.424 19 1HG ARG 17 2HG ARG 17 10.840 -10.813 0.884 20 2HG ARG 17 1HG ARG 17 10.585 -9.717 -0.487 21 1HD ARG 17 2HD ARG 17 12.387 -8.260 0.412 22 2HD ARG 17 1HD ARG 17 12.654 -9.418 1.705 23 HE ARG 17 HE ARG 17 12.951 -10.456 -0.988 24 1HH1 ARG 17 1HH1 ARG 17 14.626 -9.219 1.922 25 2HH1 ARG 17 2HH1 ARG 17 16.178 -9.584 1.278 26 1HH2 ARG 17 1HH2 ARG 17 15.042 -10.953 -1.746 27 2HH2 ARG 17 2HH2 ARG 17 16.437 -10.591 -0.829 28 H GLU 18 H GLU 18 7.545 -7.025 0.727 29 HA GLU 18 HA GLU 18 6.000 -6.629 3.176 30 1HB GLU 18 2HB GLU 18 7.145 -4.565 3.856 31 2HB GLU 18 1HB GLU 18 8.077 -6.051 4.231 32 1HG GLU 18 2HG GLU 18 9.379 -5.289 2.039 33 2HG GLU 18 1HG GLU 18 8.426 -3.847 2.239 34 H ILE 19 H ILE 19 4.407 -4.968 3.084 35 HA ILE 19 HA ILE 19 4.928 -2.757 1.238 36 HB ILE 19 HB ILE 19 2.313 -4.054 1.999 37 1HG1 ILE 19 2HG1 ILE 19 3.443 -4.696 -0.125 38 2HG1 ILE 19 1HG1 ILE 19 1.810 -4.084 -0.329 39 1HG2 ILE 19 1HG2 ILE 19 2.523 -1.228 0.973 40 2HG2 ILE 19 2HG2 ILE 19 1.933 -1.740 2.552 41 3HG2 ILE 19 3HG2 ILE 19 1.027 -2.154 1.098 42 1HD1 ILE 19 1HD1 ILE 19 2.715 -1.933 -1.027 43 2HD1 ILE 19 2HD1 ILE 19 3.290 -3.254 -2.044 44 3HD1 ILE 19 3HD1 ILE 19 4.350 -2.557 -0.819 45 H ARG 20 H ARG 20 5.285 -1.022 2.175 46 HA ARG 20 HA ARG 20 4.321 -0.563 4.921 47 1HB ARG 20 2HB ARG 20 6.868 0.515 3.680 48 2HB ARG 20 1HB ARG 20 6.262 0.938 5.269 49 1HG ARG 20 2HG ARG 20 6.608 -1.373 6.014 50 2HG ARG 20 1HG ARG 20 7.209 -1.795 4.406 51 1HD ARG 20 2HD ARG 20 8.971 -0.078 4.654 52 2HD ARG 20 1HD ARG 20 8.412 0.228 6.294 53 HE ARG 20 HE ARG 20 8.946 -2.448 6.226 54 1HH1 ARG 20 1HH1 ARG 20 10.820 0.472 5.558 55 2HH1 ARG 20 2HH1 ARG 20 12.330 -0.195 5.968 56 1HH2 ARG 20 1HH2 ARG 20 10.992 -3.406 6.800 57 2HH2 ARG 20 2HH2 ARG 20 12.438 -2.514 6.649 58 H ILE 21 H ILE 21 2.640 0.738 4.664 59 HA ILE 21 HA ILE 21 2.564 2.609 2.465 60 HB ILE 21 HB ILE 21 0.704 3.375 4.245 61 1HG1 ILE 21 2HG1 ILE 21 0.426 0.382 4.026 62 2HG1 ILE 21 1HG1 ILE 21 1.052 1.221 5.449 63 1HG2 ILE 21 1HG2 ILE 21 0.460 1.623 1.781 64 2HG2 ILE 21 2HG2 ILE 21 0.401 3.385 1.844 65 3HG2 ILE 21 3HG2 ILE 21 -0.917 2.433 2.527 66 1HD1 ILE 21 1HD1 ILE 21 -1.684 1.510 4.251 67 2HD1 ILE 21 2HD1 ILE 21 -1.021 2.479 5.553 68 3HD1 ILE 21 3HD1 ILE 21 -1.268 0.737 5.800 69 H HIS 22 H HIS 22 3.342 4.435 2.608 70 HA HIS 22 HA HIS 22 3.963 5.603 5.234 71 1HB HIS 22 2HB HIS 22 4.689 6.475 2.427 72 2HB HIS 22 1HB HIS 22 5.182 7.348 3.858 73 HD1 HIS 22 1HD HIS 22 7.089 5.890 1.626 74 HD2 HIS 22 2HD HIS 22 6.197 4.520 5.467 75 HE1 HIS 22 1HE HIS 22 8.904 4.312 2.222 76 HE2 HIS 22 2HE HIS 22 8.535 3.796 4.639 77 H LEU 23 H LEU 23 2.404 6.908 6.082 78 HA LEU 23 HA LEU 23 0.400 7.858 4.215 79 1HB LEU 23 2HB LEU 23 -0.297 6.384 6.072 80 2HB LEU 23 1HB LEU 23 0.160 7.634 7.207 81 HG LEU 23 HG LEU 23 -1.579 9.117 6.241 82 1HD1 LEU 23 1HD1 LEU 23 -1.677 8.200 4.002 83 2HD1 LEU 23 2HD1 LEU 23 -3.272 8.184 4.751 84 3HD1 LEU 23 3HD1 LEU 23 -2.341 6.691 4.628 85 1HD2 LEU 23 1HD2 LEU 23 -3.508 7.933 7.185 86 2HD2 LEU 23 2HD2 LEU 23 -2.082 7.766 8.210 87 3HD2 LEU 23 3HD2 LEU 23 -2.585 6.430 7.176 88 H CYS 24 H CYS 24 0.197 9.416 7.116 89 HA CYS 24 HA CYS 24 -0.167 11.466 7.716 90 1HB CYS 24 2HB CYS 24 1.604 12.998 7.955 91 2HB CYS 24 1HB CYS 24 2.416 11.454 7.852 92 H GLN 25 H GLN 25 -1.826 12.407 7.100 93 HA GLN 25 HA GLN 25 -2.161 13.147 4.335 94 1HB GLN 25 2HB GLN 25 -3.939 12.145 5.999 95 2HB GLN 25 1HB GLN 25 -4.089 13.797 6.569 96 1HG GLN 25 2HG GLN 25 -4.540 12.946 3.709 97 2HG GLN 25 1HG GLN 25 -5.811 13.063 4.910 98 1HE2 GLN 25 1HE2 GLN 25 -5.360 14.432 2.371 99 2HE2 GLN 25 2HE2 GLN 25 -5.421 16.122 2.721 100 H ARG 26 H ARG 26 -0.687 14.753 4.035 101 HA ARG 26 HA ARG 26 -1.390 17.329 5.289 102 1HB ARG 26 2HB ARG 26 0.974 18.030 5.225 103 2HB ARG 26 1HB ARG 26 0.678 16.699 6.327 104 1HG ARG 26 2HG ARG 26 1.848 15.187 5.016 105 2HG ARG 26 1HG ARG 26 1.657 16.164 3.550 106 1HD ARG 26 2HD ARG 26 3.199 17.787 4.344 107 2HD ARG 26 1HD ARG 26 3.241 17.053 5.941 108 HE ARG 26 HE ARG 26 4.725 15.521 5.207 109 1HH1 ARG 26 1HH1 ARG 26 3.449 17.025 2.218 110 2HH1 ARG 26 2HH1 ARG 26 4.842 16.589 1.336 111 1HH2 ARG 26 1HH2 ARG 26 6.529 15.013 3.940 112 2HH2 ARG 26 2HH2 ARG 26 6.586 15.464 2.272 113 H SER 27 H SER 27 -0.491 15.615 2.476 114 HA SER 27 HA SER 27 -0.648 18.043 0.876 115 1HB SER 27 2HB SER 27 1.273 15.704 0.676 116 2HB SER 27 1HB SER 27 1.191 17.044 -0.478 117 HG SER 27 HG SER 27 1.677 18.447 1.259 118 HA PRO 28 HA PRO 28 -3.316 15.958 -2.252 119 1HB PRO 28 2HB PRO 28 -0.810 14.824 -3.477 120 2HB PRO 28 1HB PRO 28 -2.288 15.386 -4.291 121 1HG PRO 28 2HG PRO 28 -0.149 16.954 -4.097 122 2HG PRO 28 1HG PRO 28 -1.786 17.616 -3.916 123 1HD PRO 28 2HD PRO 28 0.324 17.250 -1.888 124 2HD PRO 28 1HD PRO 28 -1.097 18.309 -1.852 125 H GLY 29 H GLY 29 -4.213 14.593 -0.808 126 1HA GLY 29 2HA GLY 29 -2.928 12.042 -0.266 127 2HA GLY 29 1HA GLY 29 -4.282 12.736 0.609 128 H SER 30 H SER 30 -4.005 10.110 -0.421 129 HA SER 30 HA SER 30 -5.849 10.120 -2.653 130 1HB SER 30 2HB SER 30 -3.694 8.515 -2.494 131 2HB SER 30 1HB SER 30 -4.810 7.754 -1.352 132 HG SER 30 HG SER 30 -4.880 7.039 -3.724 133 H GLN 31 H GLN 31 -7.588 9.296 -2.496 134 HA GLN 31 HA GLN 31 -8.892 9.020 0.114 135 1HB GLN 31 2HB GLN 31 -11.013 9.191 -1.063 136 2HB GLN 31 1HB GLN 31 -9.959 10.421 -1.742 137 1HG GLN 31 2HG GLN 31 -9.418 8.715 -3.555 138 2HG GLN 31 1HG GLN 31 -10.797 7.808 -2.948 139 1HE2 GLN 31 1HE2 GLN 31 -9.708 10.508 -4.738 140 2HE2 GLN 31 2HE2 GLN 31 -11.241 11.050 -5.273 141 H GLY 32 H GLY 32 -8.005 7.355 -2.756 142 1HA GLY 32 2HA GLY 32 -9.103 4.888 -2.084 143 2HA GLY 32 1HA GLY 32 -7.745 5.170 -3.171 144 H VAL 33 H VAL 33 -6.186 6.572 -1.249 145 HA VAL 33 HA VAL 33 -5.076 4.218 -0.082 146 HB VAL 33 HB VAL 33 -3.611 6.274 -0.709 147 1HG1 VAL 33 1HG1 VAL 33 -3.020 7.828 1.065 148 2HG1 VAL 33 2HG1 VAL 33 -4.341 7.199 2.053 149 3HG1 VAL 33 3HG1 VAL 33 -4.691 8.024 0.534 150 1HG2 VAL 33 1HG2 VAL 33 -3.122 4.846 1.885 151 2HG2 VAL 33 2HG2 VAL 33 -1.921 5.748 0.949 152 3HG2 VAL 33 3HG2 VAL 33 -2.677 4.313 0.257 153 H ARG 34 H ARG 34 -6.551 7.092 1.423 154 HA ARG 34 HA ARG 34 -6.609 6.156 4.017 155 1HB ARG 34 2HB ARG 34 -8.562 7.432 4.396 156 2HB ARG 34 1HB ARG 34 -7.315 8.463 3.622 157 1HG ARG 34 2HG ARG 34 -8.887 7.841 1.530 158 2HG ARG 34 1HG ARG 34 -9.952 7.376 2.798 159 1HD ARG 34 2HD ARG 34 -8.771 10.130 2.725 160 2HD ARG 34 1HD ARG 34 -10.380 9.711 2.131 161 HE ARG 34 HE ARG 34 -10.585 8.736 4.521 162 1HH1 ARG 34 1HH1 ARG 34 -9.057 11.831 3.631 163 2HH1 ARG 34 2HH1 ARG 34 -9.454 12.599 5.085 164 1HH2 ARG 34 1HH2 ARG 34 -11.122 9.820 6.527 165 2HH2 ARG 34 2HH2 ARG 34 -10.634 11.430 6.807 166 H ASP 35 H ASP 35 -8.959 5.622 1.536 167 HA ASP 35 HA ASP 35 -10.765 4.203 2.974 168 1HB ASP 35 2HB ASP 35 -9.957 4.249 0.129 169 2HB ASP 35 1HB ASP 35 -10.978 2.929 0.535 170 H PHE 36 H PHE 36 -8.086 3.032 1.132 171 HA PHE 36 HA PHE 36 -8.286 0.421 1.912 172 1HB PHE 36 2HB PHE 36 -6.752 0.582 0.099 173 2HB PHE 36 1HB PHE 36 -6.378 2.197 0.572 174 HD1 PHE 36 1HD PHE 36 -5.133 -1.006 0.019 175 HD2 PHE 36 2HD PHE 36 -4.695 2.318 2.666 176 HE1 PHE 36 1HE PHE 36 -2.825 -1.648 0.436 177 HE2 PHE 36 2HE PHE 36 -2.378 1.641 3.083 178 HZ PHE 36 HZ PHE 36 -1.437 -0.331 1.971 179 H ILE 37 H ILE 37 -6.542 2.994 3.244 180 HA ILE 37 HA ILE 37 -5.108 1.869 5.390 181 HB ILE 37 HB ILE 37 -6.572 4.446 5.573 182 1HG1 ILE 37 2HG1 ILE 37 -5.252 4.904 3.611 183 2HG1 ILE 37 1HG1 ILE 37 -4.507 5.689 4.955 184 1HG2 ILE 37 1HG2 ILE 37 -4.084 3.558 7.024 185 2HG2 ILE 37 2HG2 ILE 37 -5.682 3.849 7.711 186 3HG2 ILE 37 3HG2 ILE 37 -4.720 5.201 7.112 187 1HD1 ILE 37 1HD1 ILE 37 -3.538 3.080 3.892 188 2HD1 ILE 37 2HD1 ILE 37 -2.732 4.158 5.069 189 3HD1 ILE 37 3HD1 ILE 37 -3.013 4.681 3.395 190 H GLU 38 H GLU 38 -8.560 2.664 5.188 191 HA GLU 38 HA GLU 38 -8.803 2.444 8.124 192 1HB GLU 38 2HB GLU 38 -10.625 3.806 6.149 193 2HB GLU 38 1HB GLU 38 -10.916 3.679 7.873 194 1HG GLU 38 2HG GLU 38 -8.656 5.109 6.536 195 2HG GLU 38 1HG GLU 38 -10.080 5.854 7.239 196 H LYS 39 H LYS 39 -10.646 1.936 5.220 197 HA LYS 39 HA LYS 39 -12.483 0.169 6.516 198 1HB LYS 39 2HB LYS 39 -12.127 1.104 3.723 199 2HB LYS 39 1HB LYS 39 -13.499 0.135 4.254 200 1HG LYS 39 2HG LYS 39 -14.068 1.943 5.898 201 2HG LYS 39 1HG LYS 39 -12.791 2.924 5.187 202 1HD LYS 39 2HD LYS 39 -15.241 1.888 3.755 203 2HD LYS 39 1HD LYS 39 -14.985 3.545 4.311 204 1HE LYS 39 2HE LYS 39 -13.001 3.668 2.846 205 2HE LYS 39 1HE LYS 39 -13.391 2.060 2.243 206 1HZ LYS 39 1HZ LYS 39 -15.108 4.464 2.019 207 2HZ LYS 39 2HZ LYS 39 -15.474 2.926 1.358 208 3HZ LYS 39 3HZ LYS 39 -14.136 3.828 0.813 209 H ARG 40 H ARG 40 -9.631 -0.052 4.447 210 HA ARG 40 HA ARG 40 -10.477 -2.734 3.909 211 1HB ARG 40 2HB ARG 40 -9.877 -1.378 1.992 212 2HB ARG 40 1HB ARG 40 -8.292 -1.074 2.684 213 1HG ARG 40 2HG ARG 40 -8.027 -2.724 1.034 214 2HG ARG 40 1HG ARG 40 -7.886 -3.530 2.594 215 1HD ARG 40 2HD ARG 40 -10.229 -4.261 2.386 216 2HD ARG 40 1HD ARG 40 -10.299 -3.508 0.788 217 HE ARG 40 HE ARG 40 -8.505 -5.726 1.502 218 1HH1 ARG 40 1HH1 ARG 40 -10.494 -4.045 -0.935 219 2HH1 ARG 40 2HH1 ARG 40 -10.256 -5.209 -2.129 220 1HH2 ARG 40 1HH2 ARG 40 -8.157 -7.333 -0.201 221 2HH2 ARG 40 2HH2 ARG 40 -8.968 -7.144 -1.683 222 H TYR 41 H TYR 41 -8.182 -0.881 5.769 223 HA TYR 41 HA TYR 41 -5.864 -2.245 5.890 224 1HB TYR 41 2HB TYR 41 -6.752 -0.462 7.635 225 2HB TYR 41 1HB TYR 41 -7.253 -1.855 8.473 226 HD1 TYR 41 1HD TYR 41 -4.071 -0.444 7.148 227 HD2 TYR 41 2HD TYR 41 -5.964 -3.069 9.909 228 HE1 TYR 41 1HE TYR 41 -1.904 -0.864 8.235 229 HE2 TYR 41 2HE TYR 41 -3.835 -3.498 10.999 230 HH TYR 41 HH TYR 41 -1.456 -3.421 10.390 231 H VAL 42 H VAL 42 -8.288 -3.578 8.179 232 HA VAL 42 HA VAL 42 -6.506 -5.791 8.509 233 HB VAL 42 HB VAL 42 -7.597 -5.225 10.489 234 1HG1 VAL 42 1HG1 VAL 42 -9.260 -3.890 9.504 235 2HG1 VAL 42 2HG1 VAL 42 -9.975 -4.915 10.762 236 3HG1 VAL 42 3HG1 VAL 42 -10.218 -5.295 9.040 237 1HG2 VAL 42 1HG2 VAL 42 -8.970 -7.157 11.160 238 2HG2 VAL 42 2HG2 VAL 42 -7.527 -7.633 10.260 239 3HG2 VAL 42 3HG2 VAL 42 -9.102 -7.636 9.462 240 H GLU 43 H GLU 43 -9.271 -5.221 6.623 241 HA GLU 43 HA GLU 43 -9.665 -7.881 5.508 242 1HB GLU 43 2HB GLU 43 -11.435 -6.159 5.463 243 2HB GLU 43 1HB GLU 43 -10.364 -5.038 4.659 244 1HG GLU 43 2HG GLU 43 -11.976 -5.846 3.097 245 2HG GLU 43 1HG GLU 43 -10.403 -6.496 2.662 246 H LEU 44 H LEU 44 -7.342 -5.197 5.006 247 HA LEU 44 HA LEU 44 -6.570 -6.026 2.460 248 1HB LEU 44 2HB LEU 44 -6.495 -3.783 3.132 249 2HB LEU 44 1HB LEU 44 -5.797 -4.182 4.669 250 HG LEU 44 HG LEU 44 -3.652 -4.593 3.516 251 1HD1 LEU 44 1HD1 LEU 44 -4.531 -5.225 1.419 252 2HD1 LEU 44 2HD1 LEU 44 -3.439 -3.819 1.266 253 3HD1 LEU 44 3HD1 LEU 44 -5.209 -3.601 1.207 254 1HD2 LEU 44 1HD2 LEU 44 -4.235 -2.503 4.580 255 2HD2 LEU 44 2HD2 LEU 44 -4.991 -1.950 3.083 256 3HD2 LEU 44 3HD2 LEU 44 -3.255 -2.247 3.138 257 H LYS 45 H LYS 45 -5.595 -6.453 5.764 258 HA LYS 45 HA LYS 45 -3.290 -7.841 5.033 259 1HB LYS 45 2HB LYS 45 -3.540 -6.718 7.220 260 2HB LYS 45 1HB LYS 45 -4.727 -7.926 7.694 261 1HG LYS 45 2HG LYS 45 -3.053 -9.665 7.556 262 2HG LYS 45 1HG LYS 45 -1.857 -8.493 7.001 263 1HD LYS 45 2HD LYS 45 -2.105 -7.278 9.126 264 2HD LYS 45 1HD LYS 45 -3.246 -8.512 9.675 265 1HE LYS 45 2HE LYS 45 -1.031 -8.959 10.571 266 2HE LYS 45 1HE LYS 45 -1.501 -10.217 9.432 267 1HZ LYS 45 1HZ LYS 45 0.774 -9.569 9.083 268 2HZ LYS 45 2HZ LYS 45 0.378 -7.961 8.860 269 3HZ LYS 45 3HZ LYS 45 -0.106 -9.118 7.733 270 H LYS 46 H LYS 46 -6.587 -8.791 5.769 271 HA LYS 46 HA LYS 46 -5.856 -11.578 5.714 272 1HB LYS 46 2HB LYS 46 -8.041 -12.088 6.311 273 2HB LYS 46 1HB LYS 46 -7.683 -10.595 7.157 274 1HG LYS 46 2HG LYS 46 -8.868 -9.634 4.874 275 2HG LYS 46 1HG LYS 46 -9.542 -11.125 4.931 276 1HD LYS 46 2HD LYS 46 -10.330 -11.117 7.195 277 2HD LYS 46 1HD LYS 46 -9.677 -9.502 7.445 278 1HE LYS 46 2HE LYS 46 -12.075 -9.451 7.072 279 2HE LYS 46 1HE LYS 46 -11.207 -8.620 5.785 280 1HZ LYS 46 1HZ LYS 46 -11.456 -10.729 4.457 281 2HZ LYS 46 2HZ LYS 46 -12.820 -9.851 4.762 282 3HZ LYS 46 3HZ LYS 46 -12.539 -11.281 5.656 283 H ALA 47 H ALA 47 -7.060 -9.201 3.352 284 HA ALA 47 HA ALA 47 -8.113 -11.301 2.041 285 1HB ALA 47 1HB ALA 47 -9.277 -9.264 1.745 286 2HB ALA 47 2HB ALA 47 -8.724 -9.748 0.140 287 3HB ALA 47 3HB ALA 47 -7.869 -8.483 1.027 288 H ASN 48 H ASN 48 -5.123 -9.807 2.249 289 HA ASN 48 HA ASN 48 -3.949 -10.803 -0.200 290 1HB ASN 48 2HB ASN 48 -3.186 -8.260 1.323 291 2HB ASN 48 1HB ASN 48 -2.421 -8.864 -0.116 292 1HD2 ASN 48 1HD2 ASN 48 -2.706 -6.705 -1.083 293 2HD2 ASN 48 2HD2 ASN 48 -4.253 -6.250 -1.646 294 HA PRO 49 HA PRO 49 -2.820 -12.776 3.854 295 1HB PRO 49 2HB PRO 49 -1.853 -15.041 2.671 296 2HB PRO 49 1HB PRO 49 -3.556 -14.776 3.069 297 1HG PRO 49 2HG PRO 49 -2.123 -14.314 0.489 298 2HG PRO 49 1HG PRO 49 -3.653 -15.151 0.739 299 1HD PRO 49 2HD PRO 49 -3.621 -12.633 -0.110 300 2HD PRO 49 1HD PRO 49 -4.797 -12.999 1.156 301 H ASP 50 H ASP 50 -0.832 -13.449 1.236 302 HA ASP 50 HA ASP 50 1.582 -13.164 2.877 303 1HB ASP 50 2HB ASP 50 1.403 -15.000 1.178 304 2HB ASP 50 1HB ASP 50 1.471 -13.782 -0.092 305 H LEU 51 H LEU 51 -0.021 -10.854 2.398 306 HA LEU 51 HA LEU 51 1.967 -9.221 1.127 307 1HB LEU 51 2HB LEU 51 -0.021 -9.258 -0.214 308 2HB LEU 51 1HB LEU 51 -1.053 -8.947 1.156 309 HG LEU 51 HG LEU 51 -0.494 -7.079 -0.633 310 1HD1 LEU 51 1HD1 LEU 51 -0.514 -6.501 2.316 311 2HD1 LEU 51 2HD1 LEU 51 -1.934 -6.740 1.299 312 3HD1 LEU 51 3HD1 LEU 51 -0.877 -5.353 1.028 313 1HD2 LEU 51 1HD2 LEU 51 1.897 -7.223 -0.387 314 2HD2 LEU 51 2HD2 LEU 51 1.756 -6.816 1.323 315 3HD2 LEU 51 3HD2 LEU 51 1.302 -5.637 0.092 316 HA PRO 52 HA PRO 52 2.191 -7.756 5.540 317 1HB PRO 52 2HB PRO 52 4.283 -6.313 4.085 318 2HB PRO 52 1HB PRO 52 4.324 -7.035 5.683 319 1HG PRO 52 2HG PRO 52 5.525 -8.178 3.602 320 2HG PRO 52 1HG PRO 52 4.667 -9.197 4.757 321 1HD PRO 52 2HD PRO 52 3.874 -8.302 2.028 322 2HD PRO 52 1HD PRO 52 3.521 -9.836 2.849 323 H ILE 53 H ILE 53 1.202 -6.027 6.150 324 HA ILE 53 HA ILE 53 1.412 -3.568 4.621 325 HB ILE 53 HB ILE 53 -0.968 -2.945 5.554 326 1HG1 ILE 53 2HG1 ILE 53 -1.264 -5.310 6.535 327 2HG1 ILE 53 1HG1 ILE 53 -2.624 -4.579 5.690 328 1HG2 ILE 53 1HG2 ILE 53 -2.035 -3.547 3.464 329 2HG2 ILE 53 2HG2 ILE 53 -0.571 -4.411 2.991 330 3HG2 ILE 53 3HG2 ILE 53 -0.516 -2.656 3.287 331 1HD1 ILE 53 1HD1 ILE 53 -2.347 -6.928 5.104 332 2HD1 ILE 53 2HD1 ILE 53 -0.718 -6.594 4.509 333 3HD1 ILE 53 3HD1 ILE 53 -2.113 -5.895 3.704 334 H LEU 54 H LEU 54 2.601 -2.446 5.794 335 HA LEU 54 HA LEU 54 1.927 -2.158 8.640 336 1HB LEU 54 2HB LEU 54 4.538 -1.535 7.223 337 2HB LEU 54 1HB LEU 54 4.221 -1.216 8.907 338 HG LEU 54 HG LEU 54 5.588 -3.097 8.856 339 1HD1 LEU 54 1HD1 LEU 54 4.258 -4.901 9.800 340 2HD1 LEU 54 2HD1 LEU 54 2.793 -4.088 9.253 341 3HD1 LEU 54 3HD1 LEU 54 3.833 -3.318 10.451 342 1HD2 LEU 54 1HD2 LEU 54 3.767 -4.340 6.791 343 2HD2 LEU 54 2HD2 LEU 54 5.152 -5.133 7.539 344 3HD2 LEU 54 3HD2 LEU 54 5.394 -3.717 6.514 345 H ILE 55 H ILE 55 0.902 -0.311 9.086 346 HA ILE 55 HA ILE 55 0.861 1.794 7.114 347 HB ILE 55 HB ILE 55 -1.162 0.947 8.603 348 1HG1 ILE 55 2HG1 ILE 55 -1.435 2.853 7.124 349 2HG1 ILE 55 1HG1 ILE 55 -2.300 3.114 8.627 350 1HG2 ILE 55 1HG2 ILE 55 -0.201 1.049 10.767 351 2HG2 ILE 55 2HG2 ILE 55 -1.584 2.139 10.681 352 3HG2 ILE 55 3HG2 ILE 55 0.055 2.787 10.623 353 1HD1 ILE 55 1HD1 ILE 55 -1.259 5.107 7.827 354 2HD1 ILE 55 2HD1 ILE 55 0.324 4.316 7.838 355 3HD1 ILE 55 3HD1 ILE 55 -0.537 4.610 9.363 356 H ARG 56 H ARG 56 2.339 3.204 7.082 357 HA ARG 56 HA ARG 56 4.106 3.538 9.423 358 1HB ARG 56 2HB ARG 56 4.862 3.535 6.518 359 2HB ARG 56 1HB ARG 56 5.949 3.821 7.853 360 1HG ARG 56 2HG ARG 56 4.437 1.232 7.543 361 2HG ARG 56 1HG ARG 56 6.036 1.499 6.865 362 1HD ARG 56 2HD ARG 56 6.228 0.320 8.967 363 2HD ARG 56 1HD ARG 56 6.904 1.931 9.129 364 HE ARG 56 HE ARG 56 4.174 1.777 9.995 365 1HH1 ARG 56 1HH1 ARG 56 7.474 0.956 11.021 366 2HH1 ARG 56 2HH1 ARG 56 7.193 1.281 12.669 367 1HH2 ARG 56 1HH2 ARG 56 3.762 2.113 12.323 368 2HH2 ARG 56 2HH2 ARG 56 5.048 1.963 13.414 369 H GLU 57 H GLU 57 5.548 5.410 9.109 370 HA GLU 57 HA GLU 57 3.922 7.742 8.796 371 1HB GLU 57 2HB GLU 57 5.948 8.940 9.653 372 2HB GLU 57 1HB GLU 57 5.324 7.704 10.732 373 1HG GLU 57 2HG GLU 57 7.080 6.175 9.931 374 2HG GLU 57 1HG GLU 57 7.728 7.489 8.943 375 H CYS 58 H CYS 58 5.057 9.665 7.692 376 HA CYS 58 HA CYS 58 5.265 8.674 5.001 377 1HB CYS 58 2HB CYS 58 4.855 10.942 4.308 378 2HB CYS 58 1HB CYS 58 3.617 10.243 5.334 379 H SER 59 H SER 59 6.684 9.064 3.480 380 HA SER 59 HA SER 59 9.226 10.236 4.141 381 1HB SER 59 2HB SER 59 9.724 9.019 1.984 382 2HB SER 59 1HB SER 59 9.257 7.996 3.354 383 HG SER 59 HG SER 59 8.055 8.346 0.980 384 H ASP 60 H ASP 60 6.555 10.238 1.605 385 HA ASP 60 HA ASP 60 7.738 12.612 0.392 386 1HB ASP 60 2HB ASP 60 6.104 10.410 -0.920 387 2HB ASP 60 1HB ASP 60 6.893 11.755 -1.723 388 H VAL 61 H VAL 61 5.493 12.864 -1.315 389 HA VAL 61 HA VAL 61 4.025 14.796 -0.253 390 HB VAL 61 HB VAL 61 2.923 12.770 -2.206 391 1HG1 VAL 61 1HG1 VAL 61 1.532 14.604 -3.029 392 2HG1 VAL 61 2HG1 VAL 61 2.129 15.636 -1.727 393 3HG1 VAL 61 3HG1 VAL 61 1.167 14.207 -1.350 394 1HG2 VAL 61 1HG2 VAL 61 5.050 13.647 -2.956 395 2HG2 VAL 61 2HG2 VAL 61 4.484 15.297 -2.664 396 3HG2 VAL 61 3HG2 VAL 61 3.723 14.313 -3.914 397 H GLN 62 H GLN 62 2.736 11.480 -0.261 398 HA GLN 62 HA GLN 62 1.397 11.859 2.177 399 1HB GLN 62 2HB GLN 62 0.099 13.484 0.631 400 2HB GLN 62 1HB GLN 62 -0.678 12.065 -0.016 401 1HG GLN 62 2HG GLN 62 -0.833 12.913 2.889 402 2HG GLN 62 1HG GLN 62 -1.974 13.422 1.674 403 1HE2 GLN 62 1HE2 GLN 62 -0.721 10.089 2.328 404 2HE2 GLN 62 2HE2 GLN 62 -2.290 9.485 2.710 405 HA PRO 63 HA PRO 63 -0.279 7.771 0.945 406 1HB PRO 63 2HB PRO 63 -1.373 7.311 -1.495 407 2HB PRO 63 1HB PRO 63 -2.184 8.222 -0.220 408 1HG PRO 63 2HG PRO 63 -1.190 9.187 -2.755 409 2HG PRO 63 1HG PRO 63 -2.104 10.069 -1.521 410 1HD PRO 63 2HD PRO 63 0.810 9.982 -2.011 411 2HD PRO 63 1HD PRO 63 -0.165 11.226 -1.197 412 H LYS 64 H LYS 64 2.098 7.091 0.926 413 HA LYS 64 HA LYS 64 2.995 6.336 -1.809 414 1HB LYS 64 2HB LYS 64 4.619 6.598 0.745 415 2HB LYS 64 1HB LYS 64 5.254 6.027 -0.778 416 1HG LYS 64 2HG LYS 64 5.983 8.219 -0.364 417 2HG LYS 64 1HG LYS 64 4.862 8.282 -1.732 418 1HD LYS 64 2HD LYS 64 4.436 10.178 -0.254 419 2HD LYS 64 1HD LYS 64 3.128 8.989 -0.201 420 1HE LYS 64 2HE LYS 64 3.963 8.117 1.915 421 2HE LYS 64 1HE LYS 64 5.390 9.140 1.816 422 1HZ LYS 64 1HZ LYS 64 3.698 10.034 3.387 423 2HZ LYS 64 2HZ LYS 64 2.588 10.049 2.216 424 3HZ LYS 64 3HZ LYS 64 3.918 11.107 2.107 425 H LEU 65 H LEU 65 3.624 4.392 -2.304 426 HA LEU 65 HA LEU 65 2.730 2.247 -0.522 427 1HB LEU 65 2HB LEU 65 2.008 2.795 -2.998 428 2HB LEU 65 1HB LEU 65 3.514 2.107 -3.336 429 HG LEU 65 HG LEU 65 3.048 -0.044 -2.458 430 1HD1 LEU 65 1HD1 LEU 65 0.377 1.033 -1.588 431 2HD1 LEU 65 2HD1 LEU 65 1.718 0.591 -0.529 432 3HD1 LEU 65 3HD1 LEU 65 0.903 -0.647 -1.483 433 1HD2 LEU 65 1HD2 LEU 65 0.731 0.932 -4.114 434 2HD2 LEU 65 2HD2 LEU 65 1.234 -0.743 -3.931 435 3HD2 LEU 65 3HD2 LEU 65 2.298 0.413 -4.741 436 H TRP 66 H TRP 66 4.734 1.893 0.676 437 HA TRP 66 HA TRP 66 6.970 1.584 -1.040 438 1HB TRP 66 2HB TRP 66 7.687 2.479 1.058 439 2HB TRP 66 1HB TRP 66 6.709 1.335 1.981 440 HD1 TRP 66 HD TRP 66 7.873 -0.914 2.697 441 HE1 TRP 66 1HE TRP 66 10.103 -2.034 2.214 442 HE3 TRP 66 3HE TRP 66 9.517 2.343 -0.763 443 HZ2 TRP 66 2HZ TRP 66 12.365 -1.493 0.477 444 HZ3 TRP 66 3HZ TRP 66 11.673 2.001 -1.805 445 HH2 TRP 66 HH TRP 66 13.036 0.211 -1.273 446 H ALA 67 H ALA 67 7.605 -0.336 -1.790 447 HA ALA 67 HA ALA 67 6.540 -2.785 -0.606 448 1HB ALA 67 1HB ALA 67 6.710 -2.126 -3.537 449 2HB ALA 67 2HB ALA 67 5.233 -2.272 -2.585 450 3HB ALA 67 3HB ALA 67 6.252 -3.686 -2.854 451 H ARG 68 H ARG 68 8.065 -4.327 -0.386 452 HA ARG 68 HA ARG 68 10.407 -4.170 -2.045 453 1HB ARG 68 2HB ARG 68 10.786 -3.500 0.493 454 2HB ARG 68 1HB ARG 68 10.562 -5.223 0.779 455 1HG ARG 68 2HG ARG 68 12.852 -5.089 0.557 456 2HG ARG 68 1HG ARG 68 12.308 -5.482 -1.092 457 1HD ARG 68 2HD ARG 68 12.343 -2.972 -1.580 458 2HD ARG 68 1HD ARG 68 13.097 -2.770 -0.031 459 HE ARG 68 HE ARG 68 14.350 -4.450 -2.076 460 1HH1 ARG 68 1HH1 ARG 68 14.620 -1.797 0.318 461 2HH1 ARG 68 2HH1 ARG 68 16.149 -1.311 -0.196 462 1HH2 ARG 68 1HH2 ARG 68 16.480 -3.731 -2.788 463 2HH2 ARG 68 2HH2 ARG 68 17.265 -2.461 -1.978 464 H TYR 69 H TYR 69 9.727 -5.514 -3.179 465 HA TYR 69 HA TYR 69 8.013 -7.779 -2.642 466 1HB TYR 69 2HB TYR 69 9.623 -7.283 -5.160 467 2HB TYR 69 1HB TYR 69 8.228 -8.328 -4.995 468 HD1 TYR 69 1HD TYR 69 9.396 -4.924 -5.469 469 HD2 TYR 69 2HD TYR 69 6.001 -7.338 -4.763 470 HE1 TYR 69 1HE TYR 69 7.956 -3.069 -6.183 471 HE2 TYR 69 2HE TYR 69 4.549 -5.525 -5.454 472 HH TYR 69 HH TYR 69 5.680 -2.786 -7.097 473 H ALA 70 H ALA 70 8.532 -10.031 -3.063 474 HA ALA 70 HA ALA 70 11.331 -10.791 -2.559 475 1HB ALA 70 1HB ALA 70 10.444 -12.971 -1.931 476 2HB ALA 70 2HB ALA 70 8.826 -12.500 -2.452 477 3HB ALA 70 3HB ALA 70 9.559 -11.730 -1.046 478 H PHE 71 H PHE 71 9.636 -10.091 -5.103 479 HA PHE 71 HA PHE 71 11.024 -12.026 -6.740 480 1HB PHE 71 2HB PHE 71 9.542 -9.475 -7.443 481 2HB PHE 71 1HB PHE 71 10.212 -10.606 -8.609 482 HD1 PHE 71 1HD PHE 71 9.154 -12.738 -9.008 483 HD2 PHE 71 2HD PHE 71 7.513 -9.949 -6.251 484 HE1 PHE 71 1HE PHE 71 7.032 -13.962 -9.035 485 HE2 PHE 71 2HE PHE 71 5.386 -11.176 -6.273 486 HZ PHE 71 HZ PHE 71 5.146 -13.183 -7.668 487 H GLY 72 H GLY 72 11.655 -9.564 -4.798 488 1HA GLY 72 2HA GLY 72 13.478 -8.552 -4.213 489 2HA GLY 72 1HA GLY 72 14.320 -9.358 -5.500 490 H GLN 73 H GLN 73 11.555 -7.193 -5.750 491 HA GLN 73 HA GLN 73 13.281 -5.047 -6.710 492 1HB GLN 73 2HB GLN 73 10.496 -5.712 -7.745 493 2HB GLN 73 1HB GLN 73 11.371 -4.245 -8.152 494 1HG GLN 73 2HG GLN 73 13.195 -5.817 -9.031 495 2HG GLN 73 1HG GLN 73 11.958 -7.069 -8.944 496 1HE2 GLN 73 1HE2 GLN 73 10.186 -6.958 -10.372 497 2HE2 GLN 73 2HE2 GLN 73 10.204 -5.912 -11.740 498 H GLU 74 H GLU 74 12.033 -2.835 -6.467 499 HA GLU 74 HA GLU 74 10.418 -2.931 -4.045 500 1HB GLU 74 2HB GLU 74 11.732 -1.275 -2.926 501 2HB GLU 74 1HB GLU 74 12.825 -2.549 -3.423 502 1HG GLU 74 2HG GLU 74 12.454 0.113 -4.773 503 2HG GLU 74 1HG GLU 74 13.797 -0.328 -3.722 504 H THR 75 H THR 75 9.544 -0.642 -3.606 505 HA THR 75 HA THR 75 9.719 1.348 -5.527 506 HB THR 75 HB THR 75 8.175 -0.282 -6.785 507 HG1 THR 75 1HG THR 75 7.987 2.332 -6.548 508 1HG2 THR 75 1HG2 THR 75 6.901 -1.128 -4.864 509 2HG2 THR 75 2HG2 THR 75 5.824 -0.414 -6.065 510 3HG2 THR 75 3HG2 THR 75 6.226 0.481 -4.599 511 H ASN 76 H ASN 76 8.581 3.191 -4.761 512 HA ASN 76 HA ASN 76 7.163 2.972 -2.255 513 1HB ASN 76 2HB ASN 76 8.585 4.948 -1.359 514 2HB ASN 76 1HB ASN 76 9.288 3.344 -1.277 515 1HD2 ASN 76 1HD2 ASN 76 11.232 2.888 -2.467 516 2HD2 ASN 76 2HD2 ASN 76 12.016 4.142 -3.330 517 H VAL 77 H VAL 77 5.285 3.721 -3.106 518 HA VAL 77 HA VAL 77 5.643 6.326 -4.362 519 HB VAL 77 HB VAL 77 6.196 5.192 -5.799 520 1HG1 VAL 77 1HG1 VAL 77 5.272 2.911 -5.484 521 2HG1 VAL 77 2HG1 VAL 77 4.788 3.318 -7.130 522 3HG1 VAL 77 3HG1 VAL 77 3.636 3.487 -5.805 523 1HG2 VAL 77 1HG2 VAL 77 4.659 5.585 -7.877 524 2HG2 VAL 77 2HG2 VAL 77 5.010 6.940 -6.805 525 3HG2 VAL 77 3HG2 VAL 77 3.472 6.090 -6.674 526 HA PRO 78 HA PRO 78 1.749 7.955 -3.128 527 1HB PRO 78 2HB PRO 78 2.622 9.580 -5.479 528 2HB PRO 78 1HB PRO 78 2.019 10.125 -3.904 529 1HG PRO 78 2HG PRO 78 4.592 10.292 -4.398 530 2HG PRO 78 1HG PRO 78 4.046 9.658 -2.828 531 1HD PRO 78 2HD PRO 78 4.968 8.116 -5.246 532 2HD PRO 78 1HD PRO 78 5.427 7.781 -3.591 533 H LEU 79 H LEU 79 0.440 6.638 -3.525 534 HA LEU 79 HA LEU 79 -0.266 5.769 -6.191 535 1HB LEU 79 2HB LEU 79 -1.347 3.890 -4.900 536 2HB LEU 79 1HB LEU 79 0.363 4.205 -4.569 537 HG LEU 79 HG LEU 79 -0.069 5.164 -2.456 538 1HD1 LEU 79 1HD1 LEU 79 -2.988 4.518 -2.942 539 2HD1 LEU 79 2HD1 LEU 79 -2.294 6.137 -2.844 540 3HD1 LEU 79 3HD1 LEU 79 -2.299 5.093 -1.423 541 1HD2 LEU 79 1HD2 LEU 79 -0.875 3.172 -1.298 542 2HD2 LEU 79 2HD2 LEU 79 0.268 2.795 -2.589 543 3HD2 LEU 79 3HD2 LEU 79 -1.459 2.528 -2.833 544 H ASN 80 H ASN 80 -0.829 8.346 -5.179 545 HA ASN 80 HA ASN 80 -3.395 8.889 -4.203 546 1HB ASN 80 2HB ASN 80 -1.614 10.498 -4.131 547 2HB ASN 80 1HB ASN 80 -1.489 10.533 -5.879 548 1HD2 ASN 80 1HD2 ASN 80 -4.586 10.735 -4.100 549 2HD2 ASN 80 2HD2 ASN 80 -4.851 12.378 -4.512 550 H ASN 81 H ASN 81 -2.605 7.725 -7.167 551 HA ASN 81 HA ASN 81 -4.726 8.972 -8.722 552 1HB ASN 81 2HB ASN 81 -2.442 8.318 -9.606 553 2HB ASN 81 1HB ASN 81 -2.972 6.649 -9.507 554 1HD2 ASN 81 1HD2 ASN 81 -3.098 9.564 -11.201 555 2HD2 ASN 81 2HD2 ASN 81 -4.031 9.040 -12.549 556 H PHE 82 H PHE 82 -4.435 6.049 -6.765 557 HA PHE 82 HA PHE 82 -6.666 4.845 -8.221 558 1HB PHE 82 2HB PHE 82 -4.668 3.426 -6.443 559 2HB PHE 82 1HB PHE 82 -5.868 2.714 -7.517 560 HD1 PHE 82 1HD PHE 82 -2.537 4.057 -7.238 561 HD2 PHE 82 2HD PHE 82 -5.561 2.850 -9.968 562 HE1 PHE 82 1HE PHE 82 -0.859 3.940 -9.033 563 HE2 PHE 82 2HE PHE 82 -3.894 2.730 -11.768 564 HZ PHE 82 HZ PHE 82 -1.539 3.274 -11.303 565 H SER 83 H SER 83 -8.213 3.968 -7.085 566 HA SER 83 HA SER 83 -8.686 5.114 -4.454 567 1HB SER 83 2HB SER 83 -10.388 5.313 -6.267 568 2HB SER 83 1HB SER 83 -10.629 3.571 -6.187 569 HG SER 83 HG SER 83 -12.022 5.148 -4.877 570 H ALA 84 H ALA 84 -10.387 3.355 -3.240 571 HA ALA 84 HA ALA 84 -8.689 1.876 -1.640 572 1HB ALA 84 1HB ALA 84 -10.812 2.570 -0.913 573 2HB ALA 84 2HB ALA 84 -10.698 0.818 -0.723 574 3HB ALA 84 3HB ALA 84 -11.636 1.509 -2.058 575 H ASP 85 H ASP 85 -11.053 0.556 -3.929 576 HA ASP 85 HA ASP 85 -10.373 -2.193 -3.768 577 1HB ASP 85 2HB ASP 85 -12.426 -1.060 -4.816 578 2HB ASP 85 1HB ASP 85 -11.422 -0.822 -6.206 579 H GLN 86 H GLN 86 -9.619 0.281 -5.993 580 HA GLN 86 HA GLN 86 -7.862 -1.159 -7.668 581 1HB GLN 86 2HB GLN 86 -8.068 1.791 -7.179 582 2HB GLN 86 1HB GLN 86 -6.912 1.088 -8.305 583 1HG GLN 86 2HG GLN 86 -9.904 0.912 -8.426 584 2HG GLN 86 1HG GLN 86 -8.826 1.771 -9.536 585 1HE2 GLN 86 1HE2 GLN 86 -7.420 0.538 -10.806 586 2HE2 GLN 86 2HE2 GLN 86 -7.784 -1.127 -11.176 587 H VAL 87 H VAL 87 -6.855 0.887 -4.942 588 HA VAL 87 HA VAL 87 -4.191 0.175 -5.377 589 HB VAL 87 HB VAL 87 -3.717 0.789 -2.962 590 1HG1 VAL 87 1HG1 VAL 87 -5.311 2.788 -4.554 591 2HG1 VAL 87 2HG1 VAL 87 -3.582 2.466 -4.708 592 3HG1 VAL 87 3HG1 VAL 87 -4.219 3.170 -3.222 593 1HG2 VAL 87 1HG2 VAL 87 -5.451 1.865 -1.681 594 2HG2 VAL 87 2HG2 VAL 87 -5.788 0.158 -1.975 595 3HG2 VAL 87 3HG2 VAL 87 -6.651 1.403 -2.898 596 H THR 88 H THR 88 -6.654 -1.429 -3.440 597 HA THR 88 HA THR 88 -4.787 -3.250 -2.365 598 HB THR 88 HB THR 88 -6.831 -4.572 -1.715 599 HG1 THR 88 1HG THR 88 -8.327 -2.310 -2.497 600 1HG2 THR 88 1HG2 THR 88 -7.553 -2.864 -0.126 601 2HG2 THR 88 2HG2 THR 88 -6.711 -1.634 -1.076 602 3HG2 THR 88 3HG2 THR 88 -5.799 -2.912 -0.275 603 H ARG 89 H ARG 89 -6.769 -3.430 -5.093 604 HA ARG 89 HA ARG 89 -6.062 -6.195 -5.564 605 1HB ARG 89 2HB ARG 89 -8.312 -5.521 -6.082 606 2HB ARG 89 1HB ARG 89 -7.736 -4.260 -7.155 607 1HG ARG 89 2HG ARG 89 -7.052 -5.821 -8.769 608 2HG ARG 89 1HG ARG 89 -7.220 -7.167 -7.636 609 1HD ARG 89 2HD ARG 89 -9.494 -5.416 -8.515 610 2HD ARG 89 1HD ARG 89 -9.077 -6.947 -9.286 611 HE ARG 89 HE ARG 89 -9.276 -7.637 -6.714 612 1HH1 ARG 89 1HH1 ARG 89 -11.494 -5.635 -8.613 613 2HH1 ARG 89 2HH1 ARG 89 -12.910 -6.350 -7.980 614 1HH2 ARG 89 1HH2 ARG 89 -11.277 -8.696 -5.911 615 2HH2 ARG 89 2HH2 ARG 89 -12.769 -8.146 -6.487 616 H ALA 90 H ALA 90 -5.232 -3.048 -6.974 617 HA ALA 90 HA ALA 90 -3.430 -4.179 -8.912 618 1HB ALA 90 1HB ALA 90 -4.220 -1.819 -9.076 619 2HB ALA 90 2HB ALA 90 -2.461 -1.943 -9.072 620 3HB ALA 90 3HB ALA 90 -3.314 -1.441 -7.612 621 H LEU 91 H LEU 91 -3.114 -3.276 -5.473 622 HA LEU 91 HA LEU 91 -0.408 -3.787 -5.166 623 1HB LEU 91 2HB LEU 91 -2.715 -4.162 -3.220 624 2HB LEU 91 1HB LEU 91 -1.329 -5.134 -3.030 625 HG LEU 91 HG LEU 91 0.154 -3.310 -2.689 626 1HD1 LEU 91 1HD1 LEU 91 -0.593 -1.007 -2.571 627 2HD1 LEU 91 2HD1 LEU 91 -2.187 -1.499 -3.145 628 3HD1 LEU 91 3HD1 LEU 91 -0.778 -1.679 -4.190 629 1HD2 LEU 91 1HD2 LEU 91 -1.038 -4.152 -0.765 630 2HD2 LEU 91 2HD2 LEU 91 -2.362 -3.026 -1.065 631 3HD2 LEU 91 3HD2 LEU 91 -0.770 -2.415 -0.610 632 H GLU 92 H GLU 92 -3.063 -6.085 -4.909 633 HA GLU 92 HA GLU 92 -1.333 -8.308 -4.613 634 1HB GLU 92 2HB GLU 92 -3.923 -8.218 -4.201 635 2HB GLU 92 1HB GLU 92 -4.040 -8.428 -5.916 636 1HG GLU 92 2HG GLU 92 -2.780 -10.548 -5.774 637 2HG GLU 92 1HG GLU 92 -2.841 -10.414 -4.015 638 H ASN 93 H ASN 93 -2.618 -6.906 -7.454 639 HA ASN 93 HA ASN 93 -1.587 -8.709 -9.307 640 1HB ASN 93 2HB ASN 93 -2.476 -5.921 -9.280 641 2HB ASN 93 1HB ASN 93 -1.507 -6.266 -10.670 642 1HD2 ASN 93 1HD2 ASN 93 -4.487 -6.692 -9.051 643 2HD2 ASN 93 2HD2 ASN 93 -5.296 -7.625 -10.257 644 H VAL 94 H VAL 94 -0.147 -5.584 -8.366 645 HA VAL 94 HA VAL 94 2.322 -6.041 -9.588 646 HB VAL 94 HB VAL 94 3.273 -4.490 -8.086 647 1HG1 VAL 94 1HG1 VAL 94 0.775 -3.568 -9.577 648 2HG1 VAL 94 2HG1 VAL 94 2.395 -3.723 -10.255 649 3HG1 VAL 94 3HG1 VAL 94 2.046 -2.452 -9.080 650 1HG2 VAL 94 1HG2 VAL 94 1.832 -2.903 -6.773 651 2HG2 VAL 94 2HG2 VAL 94 1.970 -4.540 -6.127 652 3HG2 VAL 94 3HG2 VAL 94 0.514 -4.055 -6.994 653 H LEU 95 H LEU 95 1.348 -6.809 -6.355 654 HA LEU 95 HA LEU 95 4.123 -7.419 -6.074 655 1HB LEU 95 2HB LEU 95 3.770 -7.446 -3.641 656 2HB LEU 95 1HB LEU 95 3.431 -5.957 -4.499 657 HG LEU 95 HG LEU 95 1.012 -6.729 -4.449 658 1HD1 LEU 95 1HD1 LEU 95 1.289 -8.963 -3.653 659 2HD1 LEU 95 2HD1 LEU 95 0.300 -8.006 -2.560 660 3HD1 LEU 95 3HD1 LEU 95 1.982 -8.367 -2.138 661 1HD2 LEU 95 1HD2 LEU 95 0.684 -5.608 -2.314 662 2HD2 LEU 95 2HD2 LEU 95 1.821 -4.775 -3.376 663 3HD2 LEU 95 3HD2 LEU 95 2.417 -5.723 -2.014 664 H SER 96 H SER 96 1.331 -9.161 -6.401 665 HA SER 96 HA SER 96 2.829 -11.244 -5.182 666 1HB SER 96 2HB SER 96 0.033 -11.488 -6.349 667 2HB SER 96 1HB SER 96 0.851 -12.699 -5.356 668 HG SER 96 HG SER 96 -0.280 -10.275 -4.697 669 H GLY 97 H GLY 97 2.226 -9.901 -8.354 670 1HA GLY 97 2HA GLY 97 3.918 -12.032 -9.353 671 2HA GLY 97 1HA GLY 97 2.338 -11.886 -10.090 672 H LYS 98 H LYS 98 3.684 -8.733 -9.237 673 HA LYS 98 HA LYS 98 4.218 -8.617 -12.106 674 1HB LYS 98 2HB LYS 98 3.316 -6.404 -10.314 675 2HB LYS 98 1HB LYS 98 4.028 -6.100 -11.888 676 1HG LYS 98 2HG LYS 98 1.561 -7.741 -11.388 677 2HG LYS 98 1HG LYS 98 1.582 -6.062 -11.936 678 1HD LYS 98 2HD LYS 98 2.847 -6.745 -13.919 679 2HD LYS 98 1HD LYS 98 2.782 -8.417 -13.373 680 1HE LYS 98 2HE LYS 98 1.063 -8.042 -15.038 681 2HE LYS 98 1HE LYS 98 0.324 -8.340 -13.469 682 1HZ LYS 98 1HZ LYS 98 0.014 -5.891 -13.247 683 2HZ LYS 98 2HZ LYS 98 -0.767 -6.507 -14.604 684 3HZ LYS 98 3HZ LYS 98 0.668 -5.691 -14.783 685 H ALA 99 H ALA 99 5.370 -7.168 -9.365 686 HA ALA 99 HA ALA 99 7.766 -6.397 -10.812 687 1HB ALA 99 1HB ALA 99 8.237 -4.930 -8.966 688 2HB ALA 99 2HB ALA 99 6.964 -5.706 -8.015 689 3HB ALA 99 3HB ALA 99 6.535 -4.779 -9.442 Start of MODEL 19 1 H GLY 15 H GLY 15 3.250 -10.739 -1.729 2 1HA GLY 15 1HA GLY 15 4.768 -12.642 -1.789 3 2HA GLY 15 2HA GLY 15 4.890 -12.423 -3.531 4 H LEU 16 H LEU 16 5.379 -10.697 -0.440 5 HA LEU 16 HA LEU 16 7.543 -9.349 -1.829 6 1HB LEU 16 2HB LEU 16 6.016 -7.745 0.162 7 2HB LEU 16 1HB LEU 16 7.070 -7.250 -1.132 8 HG LEU 16 HG LEU 16 5.020 -8.147 -2.568 9 1HD1 LEU 16 1HD1 LEU 16 3.791 -8.743 -0.526 10 2HD1 LEU 16 2HD1 LEU 16 3.016 -7.421 -1.432 11 3HD1 LEU 16 3HD1 LEU 16 3.996 -7.064 -0.002 12 1HD2 LEU 16 1HD2 LEU 16 6.169 -5.991 -2.670 13 2HD2 LEU 16 2HD2 LEU 16 5.324 -5.481 -1.206 14 3HD2 LEU 16 3HD2 LEU 16 4.416 -5.802 -2.685 15 H ARG 17 H ARG 17 8.676 -8.052 -0.173 16 HA ARG 17 HA ARG 17 9.129 -9.662 2.147 17 1HB ARG 17 2HB ARG 17 10.677 -7.333 0.985 18 2HB ARG 17 1HB ARG 17 11.174 -8.299 2.366 19 1HG ARG 17 2HG ARG 17 11.430 -10.240 0.979 20 2HG ARG 17 1HG ARG 17 10.804 -9.370 -0.427 21 1HD ARG 17 2HD ARG 17 13.256 -9.500 -0.461 22 2HD ARG 17 1HD ARG 17 12.708 -7.831 -0.308 23 HE ARG 17 HE ARG 17 13.230 -9.147 2.183 24 1HH1 ARG 17 1HH1 ARG 17 14.764 -7.358 -0.450 25 2HH1 ARG 17 2HH1 ARG 17 16.009 -6.693 0.501 26 1HH2 ARG 17 1HH2 ARG 17 14.894 -8.204 3.516 27 2HH2 ARG 17 2HH2 ARG 17 16.120 -7.229 2.820 28 H GLU 18 H GLU 18 7.967 -6.603 0.840 29 HA GLU 18 HA GLU 18 6.905 -5.841 3.513 30 1HB GLU 18 2HB GLU 18 8.460 -3.795 1.914 31 2HB GLU 18 1HB GLU 18 7.680 -3.546 3.446 32 1HG GLU 18 2HG GLU 18 10.182 -5.126 2.923 33 2HG GLU 18 1HG GLU 18 10.061 -3.513 3.552 34 H ILE 19 H ILE 19 4.739 -4.812 3.189 35 HA ILE 19 HA ILE 19 4.922 -2.749 1.172 36 HB ILE 19 HB ILE 19 2.529 -4.370 1.948 37 1HG1 ILE 19 2HG1 ILE 19 3.798 -4.947 -0.090 38 2HG1 ILE 19 1HG1 ILE 19 2.117 -4.547 -0.414 39 1HG2 ILE 19 1HG2 ILE 19 2.365 -1.597 0.736 40 2HG2 ILE 19 2HG2 ILE 19 1.807 -2.064 2.342 41 3HG2 ILE 19 3HG2 ILE 19 1.004 -2.706 0.909 42 1HD1 ILE 19 1HD1 ILE 19 3.587 -3.594 -2.083 43 2HD1 ILE 19 2HD1 ILE 19 4.473 -2.729 -0.825 44 3HD1 ILE 19 3HD1 ILE 19 2.788 -2.324 -1.153 45 H ARG 20 H ARG 20 5.449 -1.210 2.144 46 HA ARG 20 HA ARG 20 4.349 -0.632 4.804 47 1HB ARG 20 2HB ARG 20 6.934 0.343 3.585 48 2HB ARG 20 1HB ARG 20 6.303 0.853 5.140 49 1HG ARG 20 2HG ARG 20 6.520 -1.437 5.984 50 2HG ARG 20 1HG ARG 20 7.141 -1.952 4.408 51 1HD ARG 20 2HD ARG 20 8.999 -0.407 4.626 52 2HD ARG 20 1HD ARG 20 8.373 0.145 6.173 53 HE ARG 20 HE ARG 20 8.797 -2.649 6.219 54 1HH1 ARG 20 1HH1 ARG 20 10.622 0.409 6.148 55 2HH1 ARG 20 2HH1 ARG 20 11.910 -0.149 7.088 56 1HH2 ARG 20 1HH2 ARG 20 10.564 -3.427 7.575 57 2HH2 ARG 20 2HH2 ARG 20 11.888 -2.430 7.918 58 H ILE 21 H ILE 21 2.707 0.557 4.478 59 HA ILE 21 HA ILE 21 2.524 2.445 2.312 60 HB ILE 21 HB ILE 21 0.751 3.105 4.239 61 1HG1 ILE 21 2HG1 ILE 21 0.535 0.117 3.835 62 2HG1 ILE 21 1HG1 ILE 21 1.208 0.880 5.273 63 1HG2 ILE 21 1HG2 ILE 21 -0.947 2.242 2.538 64 2HG2 ILE 21 2HG2 ILE 21 0.403 1.492 1.682 65 3HG2 ILE 21 3HG2 ILE 21 0.325 3.246 1.844 66 1HD1 ILE 21 1HD1 ILE 21 -0.913 1.994 5.641 67 2HD1 ILE 21 2HD1 ILE 21 -1.076 0.227 5.672 68 3HD1 ILE 21 3HD1 ILE 21 -1.598 1.160 4.254 69 H HIS 22 H HIS 22 3.324 4.295 2.491 70 HA HIS 22 HA HIS 22 3.872 5.411 5.156 71 1HB HIS 22 2HB HIS 22 4.561 6.463 2.390 72 2HB HIS 22 1HB HIS 22 5.016 7.253 3.887 73 HD1 HIS 22 1HD HIS 22 6.899 5.924 1.481 74 HD2 HIS 22 2HD HIS 22 6.298 4.573 5.383 75 HE1 HIS 22 1HE HIS 22 8.855 4.499 2.014 76 HE2 HIS 22 2HE HIS 22 8.675 4.168 4.465 77 H LEU 23 H LEU 23 2.251 6.585 6.012 78 HA LEU 23 HA LEU 23 0.203 7.470 4.150 79 1HB LEU 23 2HB LEU 23 -0.518 5.770 5.718 80 2HB LEU 23 1HB LEU 23 -0.046 6.775 7.067 81 HG LEU 23 HG LEU 23 -1.809 8.398 6.440 82 1HD1 LEU 23 1HD1 LEU 23 -1.964 7.941 4.080 83 2HD1 LEU 23 2HD1 LEU 23 -3.537 7.762 4.853 84 3HD1 LEU 23 3HD1 LEU 23 -2.602 6.333 4.413 85 1HD2 LEU 23 1HD2 LEU 23 -3.707 7.039 7.188 86 2HD2 LEU 23 2HD2 LEU 23 -2.252 6.713 8.133 87 3HD2 LEU 23 3HD2 LEU 23 -2.769 5.577 6.887 88 H CYS 24 H CYS 24 -0.123 8.565 7.244 89 HA CYS 24 HA CYS 24 -0.219 10.553 8.323 90 1HB CYS 24 2HB CYS 24 1.420 11.674 6.051 91 2HB CYS 24 1HB CYS 24 0.885 12.601 7.442 92 H GLN 25 H GLN 25 -1.510 12.338 8.320 93 HA GLN 25 HA GLN 25 -2.752 13.069 5.786 94 1HB GLN 25 2HB GLN 25 -4.105 12.852 8.494 95 2HB GLN 25 1HB GLN 25 -4.746 13.885 7.233 96 1HG GLN 25 2HG GLN 25 -6.003 11.906 7.157 97 2HG GLN 25 1HG GLN 25 -4.907 11.829 5.792 98 1HE2 GLN 25 1HE2 GLN 25 -4.023 11.093 9.147 99 2HE2 GLN 25 2HE2 GLN 25 -3.766 9.417 8.863 100 H ARG 26 H ARG 26 -1.100 14.453 5.574 101 HA ARG 26 HA ARG 26 -1.122 16.770 7.389 102 1HB ARG 26 2HB ARG 26 0.680 15.051 7.965 103 2HB ARG 26 1HB ARG 26 1.411 15.424 6.424 104 1HG ARG 26 2HG ARG 26 1.007 17.430 8.646 105 2HG ARG 26 1HG ARG 26 2.482 16.509 8.395 106 1HD ARG 26 2HD ARG 26 2.692 17.557 6.155 107 2HD ARG 26 1HD ARG 26 1.259 18.525 6.513 108 HE ARG 26 HE ARG 26 3.396 18.685 8.431 109 1HH1 ARG 26 1HH1 ARG 26 1.892 20.187 5.570 110 2HH1 ARG 26 2HH1 ARG 26 2.729 21.668 5.798 111 1HH2 ARG 26 1HH2 ARG 26 4.530 20.720 8.621 112 2HH2 ARG 26 2HH2 ARG 26 4.196 21.979 7.487 113 H SER 27 H SER 27 -0.110 15.356 4.249 114 HA SER 27 HA SER 27 0.055 18.062 3.237 115 1HB SER 27 2HB SER 27 1.234 15.434 2.285 116 2HB SER 27 1HB SER 27 1.458 16.991 1.479 117 HG SER 27 HG SER 27 2.296 17.751 3.492 118 HA PRO 28 HA PRO 28 -2.912 18.227 -0.259 119 1HB PRO 28 2HB PRO 28 -0.949 16.344 -1.525 120 2HB PRO 28 1HB PRO 28 -2.033 17.517 -2.324 121 1HG PRO 28 2HG PRO 28 0.430 18.166 -1.629 122 2HG PRO 28 1HG PRO 28 -0.900 19.317 -1.425 123 1HD PRO 28 2HD PRO 28 0.697 17.990 0.627 124 2HD PRO 28 1HD PRO 28 -0.464 19.318 0.804 125 H GLY 29 H GLY 29 -3.073 15.396 1.467 126 1HA GLY 29 2HA GLY 29 -5.099 14.204 1.701 127 2HA GLY 29 1HA GLY 29 -5.570 14.733 0.100 128 H SER 30 H SER 30 -5.634 12.076 1.376 129 HA SER 30 HA SER 30 -4.545 10.650 -0.902 130 1HB SER 30 2HB SER 30 -3.904 9.840 1.911 131 2HB SER 30 1HB SER 30 -3.575 8.985 0.386 132 HG SER 30 HG SER 30 -2.727 11.408 0.111 133 H GLN 31 H GLN 31 -6.167 9.632 -1.569 134 HA GLN 31 HA GLN 31 -8.397 9.026 0.235 135 1HB GLN 31 2HB GLN 31 -9.861 9.079 -1.774 136 2HB GLN 31 1HB GLN 31 -9.048 10.610 -1.469 137 1HG GLN 31 2HG GLN 31 -7.370 10.012 -3.182 138 2HG GLN 31 1HG GLN 31 -8.286 8.547 -3.518 139 1HE2 GLN 31 1HE2 GLN 31 -8.202 11.960 -3.738 140 2HE2 GLN 31 2HE2 GLN 31 -9.438 12.124 -4.934 141 H GLY 32 H GLY 32 -6.606 7.727 -2.498 142 1HA GLY 32 2HA GLY 32 -7.792 5.218 -2.600 143 2HA GLY 32 1HA GLY 32 -6.121 5.559 -3.051 144 H VAL 33 H VAL 33 -5.159 6.491 -0.684 145 HA VAL 33 HA VAL 33 -4.953 3.936 0.583 146 HB VAL 33 HB VAL 33 -3.549 5.012 2.425 147 1HG1 VAL 33 1HG1 VAL 33 -2.496 4.973 -0.374 148 2HG1 VAL 33 2HG1 VAL 33 -2.584 3.616 0.752 149 3HG1 VAL 33 3HG1 VAL 33 -1.523 4.982 1.095 150 1HG2 VAL 33 1HG2 VAL 33 -4.136 7.292 2.037 151 2HG2 VAL 33 2HG2 VAL 33 -3.447 7.212 0.415 152 3HG2 VAL 33 3HG2 VAL 33 -2.405 7.055 1.829 153 H ARG 34 H ARG 34 -6.201 7.075 1.759 154 HA ARG 34 HA ARG 34 -7.054 6.448 4.221 155 1HB ARG 34 2HB ARG 34 -7.660 8.464 2.637 156 2HB ARG 34 1HB ARG 34 -9.113 7.552 2.410 157 1HG ARG 34 2HG ARG 34 -9.675 7.532 4.717 158 2HG ARG 34 1HG ARG 34 -8.143 8.285 5.153 159 1HD ARG 34 2HD ARG 34 -9.829 9.953 5.241 160 2HD ARG 34 1HD ARG 34 -8.829 10.270 3.827 161 HE ARG 34 HE ARG 34 -10.792 8.916 2.691 162 1HH1 ARG 34 1HH1 ARG 34 -10.905 11.578 5.034 163 2HH1 ARG 34 2HH1 ARG 34 -12.488 12.050 4.607 164 1HH2 ARG 34 1HH2 ARG 34 -12.990 9.563 2.169 165 2HH2 ARG 34 2HH2 ARG 34 -13.704 10.849 3.021 166 H ASP 35 H ASP 35 -8.974 5.685 1.348 167 HA ASP 35 HA ASP 35 -10.875 4.125 2.790 168 1HB ASP 35 2HB ASP 35 -10.124 4.329 -0.081 169 2HB ASP 35 1HB ASP 35 -11.204 3.073 0.380 170 H PHE 36 H PHE 36 -8.014 3.134 0.976 171 HA PHE 36 HA PHE 36 -8.302 0.465 1.650 172 1HB PHE 36 2HB PHE 36 -6.646 0.696 0.039 173 2HB PHE 36 1HB PHE 36 -6.251 2.272 0.613 174 HD1 PHE 36 1HD PHE 36 -5.164 -1.077 0.159 175 HD2 PHE 36 2HD PHE 36 -4.737 2.294 2.753 176 HE1 PHE 36 1HE PHE 36 -2.948 -1.824 0.753 177 HE2 PHE 36 2HE PHE 36 -2.509 1.497 3.353 178 HZ PHE 36 HZ PHE 36 -1.603 -0.547 2.353 179 H ILE 37 H ILE 37 -6.694 2.914 3.342 180 HA ILE 37 HA ILE 37 -5.559 1.595 5.615 181 HB ILE 37 HB ILE 37 -6.801 4.285 5.633 182 1HG1 ILE 37 2HG1 ILE 37 -5.249 4.653 3.856 183 2HG1 ILE 37 1HG1 ILE 37 -4.585 5.355 5.284 184 1HG2 ILE 37 1HG2 ILE 37 -4.597 3.234 7.383 185 2HG2 ILE 37 2HG2 ILE 37 -6.247 3.652 7.850 186 3HG2 ILE 37 3HG2 ILE 37 -5.116 4.920 7.374 187 1HD1 ILE 37 1HD1 ILE 37 -3.742 2.694 4.263 188 2HD1 ILE 37 2HD1 ILE 37 -2.977 3.668 5.552 189 3HD1 ILE 37 3HD1 ILE 37 -3.036 4.252 3.867 190 H GLU 38 H GLU 38 -8.795 2.706 4.983 191 HA GLU 38 HA GLU 38 -9.537 2.615 7.825 192 1HB GLU 38 2HB GLU 38 -9.709 4.841 7.020 193 2HB GLU 38 1HB GLU 38 -10.528 4.331 5.561 194 1HG GLU 38 2HG GLU 38 -12.462 3.841 6.719 195 2HG GLU 38 1HG GLU 38 -11.733 4.146 8.322 196 H LYS 39 H LYS 39 -10.925 2.205 4.640 197 HA LYS 39 HA LYS 39 -13.205 0.758 5.613 198 1HB LYS 39 2HB LYS 39 -12.201 1.122 2.804 199 2HB LYS 39 1HB LYS 39 -13.826 0.674 3.294 200 1HG LYS 39 2HG LYS 39 -12.558 3.327 3.920 201 2HG LYS 39 1HG LYS 39 -13.526 3.023 2.484 202 1HD LYS 39 2HD LYS 39 -15.434 2.466 3.899 203 2HD LYS 39 1HD LYS 39 -14.447 2.759 5.338 204 1HE LYS 39 2HE LYS 39 -15.867 4.692 4.775 205 2HE LYS 39 1HE LYS 39 -14.151 5.075 4.716 206 1HZ LYS 39 1HZ LYS 39 -14.235 4.901 2.286 207 2HZ LYS 39 2HZ LYS 39 -15.343 6.028 2.847 208 3HZ LYS 39 3HZ LYS 39 -15.875 4.515 2.339 209 H ARG 40 H ARG 40 -9.997 0.064 4.173 210 HA ARG 40 HA ARG 40 -10.989 -2.614 3.688 211 1HB ARG 40 2HB ARG 40 -10.327 -1.357 1.713 212 2HB ARG 40 1HB ARG 40 -8.728 -1.120 2.390 213 1HG ARG 40 2HG ARG 40 -8.572 -2.844 0.779 214 2HG ARG 40 1HG ARG 40 -8.450 -3.589 2.376 215 1HD ARG 40 2HD ARG 40 -9.865 -4.895 0.848 216 2HD ARG 40 1HD ARG 40 -10.771 -4.300 2.237 217 HE ARG 40 HE ARG 40 -11.726 -2.602 0.794 218 1HH1 ARG 40 1HH1 ARG 40 -10.066 -5.233 -0.970 219 2HH1 ARG 40 2HH1 ARG 40 -11.012 -5.068 -2.362 220 1HH2 ARG 40 1HH2 ARG 40 -12.978 -2.390 -1.064 221 2HH2 ARG 40 2HH2 ARG 40 -12.736 -3.334 -2.453 222 H TYR 41 H TYR 41 -8.658 -0.811 5.546 223 HA TYR 41 HA TYR 41 -6.379 -2.241 5.722 224 1HB TYR 41 2HB TYR 41 -7.113 -0.359 7.340 225 2HB TYR 41 1HB TYR 41 -7.852 -1.615 8.227 226 HD1 TYR 41 1HD TYR 41 -6.797 -2.931 9.787 227 HD2 TYR 41 2HD TYR 41 -4.436 -0.587 7.128 228 HE1 TYR 41 1HE TYR 41 -4.833 -3.510 11.070 229 HE2 TYR 41 2HE TYR 41 -2.424 -1.160 8.414 230 HH TYR 41 HH TYR 41 -1.908 -1.857 10.730 231 H VAL 42 H VAL 42 -8.887 -3.359 7.926 232 HA VAL 42 HA VAL 42 -7.316 -5.620 8.572 233 HB VAL 42 HB VAL 42 -8.739 -4.899 10.265 234 1HG1 VAL 42 1HG1 VAL 42 -10.081 -3.556 8.888 235 2HG1 VAL 42 2HG1 VAL 42 -11.106 -4.463 10.017 236 3HG1 VAL 42 3HG1 VAL 42 -11.007 -4.942 8.301 237 1HG2 VAL 42 1HG2 VAL 42 -10.314 -6.738 10.739 238 2HG2 VAL 42 2HG2 VAL 42 -8.755 -7.331 10.151 239 3HG2 VAL 42 3HG2 VAL 42 -10.148 -7.296 9.067 240 H GLU 43 H GLU 43 -9.815 -5.078 6.269 241 HA GLU 43 HA GLU 43 -10.110 -7.825 5.258 242 1HB GLU 43 2HB GLU 43 -10.545 -5.226 3.776 243 2HB GLU 43 1HB GLU 43 -11.336 -6.769 3.521 244 1HG GLU 43 2HG GLU 43 -11.767 -5.062 5.956 245 2HG GLU 43 1HG GLU 43 -12.746 -4.948 4.496 246 H LEU 44 H LEU 44 -7.896 -5.116 4.785 247 HA LEU 44 HA LEU 44 -6.779 -6.020 2.351 248 1HB LEU 44 2HB LEU 44 -6.659 -3.755 2.923 249 2HB LEU 44 1HB LEU 44 -6.203 -4.107 4.568 250 HG LEU 44 HG LEU 44 -3.978 -4.851 3.625 251 1HD1 LEU 44 1HD1 LEU 44 -5.052 -3.503 1.247 252 2HD1 LEU 44 2HD1 LEU 44 -4.601 -5.222 1.434 253 3HD1 LEU 44 3HD1 LEU 44 -3.358 -3.958 1.521 254 1HD2 LEU 44 1HD2 LEU 44 -4.320 -2.793 4.836 255 2HD2 LEU 44 2HD2 LEU 44 -4.843 -1.996 3.351 256 3HD2 LEU 44 3HD2 LEU 44 -3.183 -2.572 3.507 257 H LYS 45 H LYS 45 -5.925 -6.156 5.703 258 HA LYS 45 HA LYS 45 -3.582 -7.590 5.368 259 1HB LYS 45 2HB LYS 45 -4.047 -6.227 7.316 260 2HB LYS 45 1HB LYS 45 -5.408 -7.237 7.747 261 1HG LYS 45 2HG LYS 45 -3.947 -9.025 8.380 262 2HG LYS 45 1HG LYS 45 -2.538 -8.152 7.753 263 1HD LYS 45 2HD LYS 45 -2.872 -6.383 9.385 264 2HD LYS 45 1HD LYS 45 -4.337 -7.170 9.964 265 1HE LYS 45 2HE LYS 45 -1.606 -8.437 10.074 266 2HE LYS 45 1HE LYS 45 -2.285 -7.485 11.391 267 1HZ LYS 45 1HZ LYS 45 -3.349 -10.059 10.315 268 2HZ LYS 45 2HZ LYS 45 -4.190 -9.053 11.349 269 3HZ LYS 45 3HZ LYS 45 -2.736 -9.731 11.873 270 H LYS 46 H LYS 46 -6.978 -8.560 5.797 271 HA LYS 46 HA LYS 46 -6.286 -11.339 6.069 272 1HB LYS 46 2HB LYS 46 -8.547 -11.739 6.400 273 2HB LYS 46 1HB LYS 46 -8.369 -10.103 7.009 274 1HG LYS 46 2HG LYS 46 -9.161 -9.402 4.569 275 2HG LYS 46 1HG LYS 46 -9.554 -10.983 4.405 276 1HD LYS 46 2HD LYS 46 -10.974 -11.110 6.381 277 2HD LYS 46 1HD LYS 46 -10.756 -9.371 6.603 278 1HE LYS 46 2HE LYS 46 -11.754 -8.905 4.502 279 2HE LYS 46 1HE LYS 46 -11.815 -10.622 4.082 280 1HZ LYS 46 1HZ LYS 46 -13.372 -9.251 6.218 281 2HZ LYS 46 2HZ LYS 46 -13.350 -10.923 5.957 282 3HZ LYS 46 3HZ LYS 46 -13.961 -9.900 4.770 283 H ALA 47 H ALA 47 -6.992 -9.109 3.427 284 HA ALA 47 HA ALA 47 -8.092 -11.048 1.878 285 1HB ALA 47 1HB ALA 47 -8.696 -8.762 1.489 286 2HB ALA 47 2HB ALA 47 -8.024 -9.435 -0.005 287 3HB ALA 47 3HB ALA 47 -7.039 -8.387 1.003 288 H ASN 48 H ASN 48 -4.939 -9.527 2.200 289 HA ASN 48 HA ASN 48 -3.739 -11.135 0.106 290 1HB ASN 48 2HB ASN 48 -2.910 -8.286 0.888 291 2HB ASN 48 1HB ASN 48 -2.259 -9.265 -0.382 292 1HD2 ASN 48 1HD2 ASN 48 -2.606 -7.265 -1.731 293 2HD2 ASN 48 2HD2 ASN 48 -4.156 -6.970 -2.369 294 HA PRO 49 HA PRO 49 -2.041 -11.905 4.391 295 1HB PRO 49 2HB PRO 49 -1.656 -14.554 4.019 296 2HB PRO 49 1HB PRO 49 -3.256 -13.899 4.409 297 1HG PRO 49 2HG PRO 49 -2.093 -14.536 1.722 298 2HG PRO 49 1HG PRO 49 -3.639 -15.081 2.352 299 1HD PRO 49 2HD PRO 49 -3.502 -12.991 0.717 300 2HD PRO 49 1HD PRO 49 -4.594 -12.857 2.100 301 H ASP 50 H ASP 50 -1.119 -13.028 1.425 302 HA ASP 50 HA ASP 50 1.746 -13.255 1.912 303 1HB ASP 50 2HB ASP 50 0.655 -14.764 0.318 304 2HB ASP 50 1HB ASP 50 0.128 -13.402 -0.654 305 H LEU 51 H LEU 51 0.277 -10.689 2.248 306 HA LEU 51 HA LEU 51 2.088 -8.978 0.746 307 1HB LEU 51 2HB LEU 51 -0.271 -8.921 -0.087 308 2HB LEU 51 1HB LEU 51 -0.846 -8.401 1.465 309 HG LEU 51 HG LEU 51 0.809 -6.862 -0.547 310 1HD1 LEU 51 1HD1 LEU 51 -1.011 -5.311 -0.546 311 2HD1 LEU 51 2HD1 LEU 51 -1.885 -6.347 0.581 312 3HD1 LEU 51 3HD1 LEU 51 -1.496 -6.933 -1.038 313 1HD2 LEU 51 1HD2 LEU 51 1.646 -6.284 1.648 314 2HD2 LEU 51 2HD2 LEU 51 -0.000 -5.957 2.183 315 3HD2 LEU 51 3HD2 LEU 51 0.739 -4.952 0.933 316 HA PRO 52 HA PRO 52 3.002 -8.155 5.272 317 1HB PRO 52 2HB PRO 52 4.690 -6.193 3.967 318 2HB PRO 52 1HB PRO 52 5.010 -7.343 5.262 319 1HG PRO 52 2HG PRO 52 5.838 -7.565 2.636 320 2HG PRO 52 1HG PRO 52 5.721 -8.932 3.733 321 1HD PRO 52 2HD PRO 52 4.045 -8.193 1.443 322 2HD PRO 52 1HD PRO 52 4.065 -9.726 2.333 323 H ILE 53 H ILE 53 1.810 -6.828 6.219 324 HA ILE 53 HA ILE 53 0.855 -4.365 4.849 325 HB ILE 53 HB ILE 53 -0.574 -5.834 7.113 326 1HG1 ILE 53 2HG1 ILE 53 -0.622 -7.109 4.946 327 2HG1 ILE 53 1HG1 ILE 53 -2.206 -6.659 5.546 328 1HG2 ILE 53 1HG2 ILE 53 -1.124 -3.492 7.182 329 2HG2 ILE 53 2HG2 ILE 53 -2.525 -4.397 6.590 330 3HG2 ILE 53 3HG2 ILE 53 -1.520 -3.499 5.462 331 1HD1 ILE 53 1HD1 ILE 53 -2.302 -4.842 3.890 332 2HD1 ILE 53 2HD1 ILE 53 -2.070 -6.394 3.114 333 3HD1 ILE 53 3HD1 ILE 53 -0.710 -5.297 3.303 334 H LEU 54 H LEU 54 2.413 -2.897 5.584 335 HA LEU 54 HA LEU 54 2.510 -2.471 8.498 336 1HB LEU 54 2HB LEU 54 4.710 -1.939 6.483 337 2HB LEU 54 1HB LEU 54 4.764 -1.467 8.158 338 HG LEU 54 HG LEU 54 6.159 -3.308 7.970 339 1HD1 LEU 54 1HD1 LEU 54 4.824 -3.441 9.922 340 2HD1 LEU 54 2HD1 LEU 54 5.156 -5.063 9.310 341 3HD1 LEU 54 3HD1 LEU 54 3.574 -4.330 9.051 342 1HD2 LEU 54 1HD2 LEU 54 4.001 -4.776 6.465 343 2HD2 LEU 54 2HD2 LEU 54 5.547 -5.461 6.963 344 3HD2 LEU 54 3HD2 LEU 54 5.505 -4.141 5.794 345 H ILE 55 H ILE 55 1.443 -0.665 8.992 346 HA ILE 55 HA ILE 55 1.198 1.464 7.041 347 HB ILE 55 HB ILE 55 -0.861 0.905 8.182 348 1HG1 ILE 55 2HG1 ILE 55 -1.537 2.985 9.249 349 2HG1 ILE 55 1HG1 ILE 55 0.154 3.476 9.427 350 1HG2 ILE 55 1HG2 ILE 55 -1.193 0.995 10.597 351 2HG2 ILE 55 2HG2 ILE 55 0.535 1.277 10.806 352 3HG2 ILE 55 3HG2 ILE 55 -0.030 -0.238 10.106 353 1HD1 ILE 55 1HD1 ILE 55 0.337 3.530 6.989 354 2HD1 ILE 55 2HD1 ILE 55 -0.926 4.610 7.582 355 3HD1 ILE 55 3HD1 ILE 55 -1.356 3.059 6.858 356 H ARG 56 H ARG 56 2.531 2.993 6.980 357 HA ARG 56 HA ARG 56 4.312 3.571 9.268 358 1HB ARG 56 2HB ARG 56 5.037 3.574 6.350 359 2HB ARG 56 1HB ARG 56 6.085 4.042 7.659 360 1HG ARG 56 2HG ARG 56 4.934 1.264 7.461 361 2HG ARG 56 1HG ARG 56 6.492 1.718 6.778 362 1HD ARG 56 2HD ARG 56 6.842 0.692 8.936 363 2HD ARG 56 1HD ARG 56 7.246 2.399 9.039 364 HE ARG 56 HE ARG 56 4.573 1.619 9.867 365 1HH1 ARG 56 1HH1 ARG 56 7.825 2.551 10.889 366 2HH1 ARG 56 2HH1 ARG 56 7.379 2.818 12.516 367 1HH2 ARG 56 1HH2 ARG 56 3.976 1.956 12.092 368 2HH2 ARG 56 2HH2 ARG 56 5.143 2.450 13.210 369 H GLU 57 H GLU 57 5.547 5.642 8.844 370 HA GLU 57 HA GLU 57 3.564 7.733 8.534 371 1HB GLU 57 2HB GLU 57 5.122 7.595 10.526 372 2HB GLU 57 1HB GLU 57 6.444 7.993 9.441 373 1HG GLU 57 2HG GLU 57 5.404 10.141 8.949 374 2HG GLU 57 1HG GLU 57 4.052 9.733 9.999 375 H CYS 58 H CYS 58 4.398 9.799 7.489 376 HA CYS 58 HA CYS 58 4.999 9.238 4.738 377 1HB CYS 58 2HB CYS 58 4.539 11.703 4.579 378 2HB CYS 58 1HB CYS 58 3.218 10.698 5.174 379 H SER 59 H SER 59 6.964 9.584 3.753 380 HA SER 59 HA SER 59 8.643 11.642 4.919 381 1HB SER 59 2HB SER 59 10.593 10.298 4.022 382 2HB SER 59 1HB SER 59 9.742 9.541 5.366 383 HG SER 59 HG SER 59 10.250 8.571 3.018 384 H ASP 60 H ASP 60 6.437 11.239 2.594 385 HA ASP 60 HA ASP 60 7.704 12.883 0.716 386 1HB ASP 60 2HB ASP 60 8.017 10.431 -0.043 387 2HB ASP 60 1HB ASP 60 6.272 10.272 0.032 388 H VAL 61 H VAL 61 5.537 13.383 -0.667 389 HA VAL 61 HA VAL 61 4.025 14.926 0.952 390 HB VAL 61 HB VAL 61 3.110 13.689 -1.655 391 1HG1 VAL 61 1HG1 VAL 61 1.920 16.029 -0.168 392 2HG1 VAL 61 2HG1 VAL 61 1.157 14.456 -0.409 393 3HG1 VAL 61 3HG1 VAL 61 1.472 15.510 -1.792 394 1HG2 VAL 61 1HG2 VAL 61 5.076 15.076 -1.908 395 2HG2 VAL 61 2HG2 VAL 61 4.278 16.363 -0.982 396 3HG2 VAL 61 3HG2 VAL 61 3.637 15.895 -2.551 397 H GLN 62 H GLN 62 2.858 11.736 -0.092 398 HA GLN 62 HA GLN 62 1.116 11.782 2.141 399 1HB GLN 62 2HB GLN 62 -0.010 12.842 -0.324 400 2HB GLN 62 1HB GLN 62 -1.064 11.729 0.530 401 1HG GLN 62 2HG GLN 62 0.221 14.188 1.668 402 2HG GLN 62 1HG GLN 62 -1.471 14.014 1.191 403 1HE2 GLN 62 1HE2 GLN 62 -1.759 11.329 2.231 404 2HE2 GLN 62 2HE2 GLN 62 -1.727 11.471 3.955 405 HA PRO 63 HA PRO 63 -0.181 7.590 0.813 406 1HB PRO 63 2HB PRO 63 -1.295 7.050 -1.521 407 2HB PRO 63 1HB PRO 63 -2.099 8.115 -0.371 408 1HG PRO 63 2HG PRO 63 -0.860 8.737 -2.933 409 2HG PRO 63 1HG PRO 63 -1.992 9.691 -2.002 410 1HD PRO 63 2HD PRO 63 0.940 9.922 -2.103 411 2HD PRO 63 1HD PRO 63 -0.229 11.038 -1.362 412 H LYS 64 H LYS 64 2.186 6.979 0.753 413 HA LYS 64 HA LYS 64 3.057 6.254 -1.997 414 1HB LYS 64 2HB LYS 64 4.787 6.559 0.487 415 2HB LYS 64 1HB LYS 64 5.360 6.128 -1.104 416 1HG LYS 64 2HG LYS 64 5.958 8.327 -0.547 417 2HG LYS 64 1HG LYS 64 4.800 8.411 -1.891 418 1HD LYS 64 2HD LYS 64 4.264 10.185 -0.255 419 2HD LYS 64 1HD LYS 64 3.062 8.899 -0.249 420 1HE LYS 64 2HE LYS 64 4.048 7.930 1.750 421 2HE LYS 64 1HE LYS 64 5.373 9.082 1.688 422 1HZ LYS 64 1HZ LYS 64 2.525 9.725 2.189 423 2HZ LYS 64 2HZ LYS 64 3.765 10.866 2.198 424 3HZ LYS 64 3HZ LYS 64 3.689 9.646 3.367 425 H LEU 65 H LEU 65 3.560 4.336 -2.508 426 HA LEU 65 HA LEU 65 2.826 2.209 -0.643 427 1HB LEU 65 2HB LEU 65 2.113 2.649 -3.138 428 2HB LEU 65 1HB LEU 65 3.644 2.003 -3.439 429 HG LEU 65 HG LEU 65 3.243 -0.146 -2.525 430 1HD1 LEU 65 1HD1 LEU 65 1.134 -0.803 -1.524 431 2HD1 LEU 65 2HD1 LEU 65 0.545 0.855 -1.650 432 3HD1 LEU 65 3HD1 LEU 65 1.907 0.481 -0.596 433 1HD2 LEU 65 1HD2 LEU 65 2.459 0.259 -4.808 434 2HD2 LEU 65 2HD2 LEU 65 0.873 0.713 -4.158 435 3HD2 LEU 65 3HD2 LEU 65 1.459 -0.931 -3.970 436 H TRP 66 H TRP 66 4.823 1.899 0.597 437 HA TRP 66 HA TRP 66 7.056 1.590 -1.100 438 1HB TRP 66 2HB TRP 66 7.792 2.467 1.020 439 2HB TRP 66 1HB TRP 66 6.831 1.301 1.931 440 HD1 TRP 66 HD TRP 66 8.104 -0.856 2.744 441 HE1 TRP 66 1HE TRP 66 10.399 -1.941 2.224 442 HE3 TRP 66 3HE TRP 66 9.608 2.251 -0.940 443 HZ2 TRP 66 2HZ TRP 66 12.547 -1.485 0.432 444 HZ3 TRP 66 3HZ TRP 66 11.742 1.873 -2.020 445 HH2 TRP 66 HH TRP 66 13.148 0.113 -1.423 446 H ALA 67 H ALA 67 7.228 -0.143 -2.142 447 HA ALA 67 HA ALA 67 6.186 -2.631 -1.128 448 1HB ALA 67 1HB ALA 67 5.133 -1.937 -3.187 449 2HB ALA 67 2HB ALA 67 6.130 -3.364 -3.467 450 3HB ALA 67 3HB ALA 67 6.706 -1.775 -3.964 451 H ARG 68 H ARG 68 7.651 -4.326 -1.036 452 HA ARG 68 HA ARG 68 10.159 -4.082 -2.371 453 1HB ARG 68 2HB ARG 68 10.531 -3.128 -0.006 454 2HB ARG 68 1HB ARG 68 10.111 -4.733 0.593 455 1HG ARG 68 2HG ARG 68 12.444 -4.800 0.472 456 2HG ARG 68 1HG ARG 68 11.881 -5.580 -1.018 457 1HD ARG 68 2HD ARG 68 12.069 -2.973 -1.858 458 2HD ARG 68 1HD ARG 68 13.300 -3.026 -0.646 459 HE ARG 68 HE ARG 68 13.237 -4.876 -2.914 460 1HH1 ARG 68 1HH1 ARG 68 15.067 -3.005 -0.511 461 2HH1 ARG 68 2HH1 ARG 68 16.574 -3.254 -1.283 462 1HH2 ARG 68 1HH2 ARG 68 15.315 -5.201 -3.954 463 2HH2 ARG 68 2HH2 ARG 68 16.717 -4.496 -3.304 464 H TYR 69 H TYR 69 9.633 -5.638 -3.433 465 HA TYR 69 HA TYR 69 7.943 -7.800 -2.506 466 1HB TYR 69 2HB TYR 69 9.459 -7.723 -5.126 467 2HB TYR 69 1HB TYR 69 7.978 -8.593 -4.764 468 HD1 TYR 69 1HD TYR 69 5.892 -7.462 -4.745 469 HD2 TYR 69 2HD TYR 69 9.438 -5.351 -5.577 470 HE1 TYR 69 1HE TYR 69 4.560 -5.610 -5.606 471 HE2 TYR 69 2HE TYR 69 8.139 -3.451 -6.460 472 HH TYR 69 HH TYR 69 5.893 -3.093 -7.446 473 H ALA 70 H ALA 70 8.595 -10.115 -2.750 474 HA ALA 70 HA ALA 70 11.433 -10.585 -2.145 475 1HB ALA 70 1HB ALA 70 10.724 -12.807 -1.416 476 2HB ALA 70 2HB ALA 70 9.088 -12.512 -2.010 477 3HB ALA 70 3HB ALA 70 9.703 -11.601 -0.631 478 H PHE 71 H PHE 71 9.606 -10.319 -4.758 479 HA PHE 71 HA PHE 71 11.137 -12.123 -6.345 480 1HB PHE 71 2HB PHE 71 9.812 -9.484 -7.098 481 2HB PHE 71 1HB PHE 71 10.373 -10.712 -8.228 482 HD1 PHE 71 1HD PHE 71 9.248 -12.986 -8.167 483 HD2 PHE 71 2HD PHE 71 7.640 -9.560 -6.237 484 HE1 PHE 71 1HE PHE 71 7.040 -14.058 -8.110 485 HE2 PHE 71 2HE PHE 71 5.432 -10.628 -6.174 486 HZ PHE 71 HZ PHE 71 5.127 -12.878 -7.109 487 H GLY 72 H GLY 72 11.401 -9.131 -4.743 488 1HA GLY 72 2HA GLY 72 13.413 -8.643 -3.764 489 2HA GLY 72 1HA GLY 72 14.268 -9.125 -5.191 490 H GLN 73 H GLN 73 11.760 -7.407 -6.359 491 HA GLN 73 HA GLN 73 13.296 -5.030 -6.741 492 1HB GLN 73 2HB GLN 73 10.402 -5.551 -7.416 493 2HB GLN 73 1HB GLN 73 11.336 -4.166 -7.949 494 1HG GLN 73 2HG GLN 73 12.887 -5.822 -9.049 495 2HG GLN 73 1HG GLN 73 11.642 -7.034 -8.726 496 1HE2 GLN 73 1HE2 GLN 73 11.201 -7.369 -10.875 497 2HE2 GLN 73 2HE2 GLN 73 10.428 -6.192 -11.874 498 H GLU 74 H GLU 74 12.259 -2.817 -6.392 499 HA GLU 74 HA GLU 74 10.883 -2.716 -3.829 500 1HB GLU 74 2HB GLU 74 12.203 -0.826 -3.161 501 2HB GLU 74 1HB GLU 74 13.317 -2.097 -3.626 502 1HG GLU 74 2HG GLU 74 12.509 0.223 -5.319 503 2HG GLU 74 1HG GLU 74 13.997 0.165 -4.374 504 H THR 75 H THR 75 9.846 -0.520 -3.577 505 HA THR 75 HA THR 75 9.210 1.066 -5.817 506 HB THR 75 HB THR 75 7.440 -1.145 -4.898 507 HG1 THR 75 1HG THR 75 8.735 -0.929 -6.933 508 1HG2 THR 75 1HG2 THR 75 5.460 -0.048 -5.995 509 2HG2 THR 75 2HG2 THR 75 6.372 1.482 -5.958 510 3HG2 THR 75 3HG2 THR 75 5.993 0.602 -4.460 511 H ASN 76 H ASN 76 8.544 2.949 -4.955 512 HA ASN 76 HA ASN 76 7.237 2.989 -2.363 513 1HB ASN 76 2HB ASN 76 8.789 4.932 -1.613 514 2HB ASN 76 1HB ASN 76 9.414 3.298 -1.492 515 1HD2 ASN 76 1HD2 ASN 76 11.314 2.711 -2.708 516 2HD2 ASN 76 2HD2 ASN 76 12.084 3.868 -3.702 517 H VAL 77 H VAL 77 5.347 3.716 -3.241 518 HA VAL 77 HA VAL 77 5.655 6.383 -4.415 519 HB VAL 77 HB VAL 77 6.344 5.277 -5.823 520 1HG1 VAL 77 1HG1 VAL 77 3.786 3.625 -6.154 521 2HG1 VAL 77 2HG1 VAL 77 5.395 3.014 -5.767 522 3HG1 VAL 77 3HG1 VAL 77 5.024 3.536 -7.408 523 1HG2 VAL 77 1HG2 VAL 77 5.337 7.093 -6.872 524 2HG2 VAL 77 2HG2 VAL 77 3.757 6.316 -6.913 525 3HG2 VAL 77 3HG2 VAL 77 5.023 5.799 -8.032 526 HA PRO 78 HA PRO 78 1.607 7.919 -3.424 527 1HB PRO 78 2HB PRO 78 2.426 9.357 -5.917 528 2HB PRO 78 1HB PRO 78 1.766 10.017 -4.409 529 1HG PRO 78 2HG PRO 78 4.342 10.267 -4.896 530 2HG PRO 78 1HG PRO 78 3.798 9.795 -3.271 531 1HD PRO 78 2HD PRO 78 4.917 8.071 -5.454 532 2HD PRO 78 1HD PRO 78 5.276 7.900 -3.760 533 H LEU 79 H LEU 79 0.220 6.688 -3.723 534 HA LEU 79 HA LEU 79 -0.381 5.581 -6.369 535 1HB LEU 79 2HB LEU 79 -1.240 3.634 -5.044 536 2HB LEU 79 1HB LEU 79 0.453 4.086 -4.775 537 HG LEU 79 HG LEU 79 0.038 4.950 -2.622 538 1HD1 LEU 79 1HD1 LEU 79 -2.245 5.862 -2.940 539 2HD1 LEU 79 2HD1 LEU 79 -2.164 4.802 -1.531 540 3HD1 LEU 79 3HD1 LEU 79 -2.881 4.220 -3.034 541 1HD2 LEU 79 1HD2 LEU 79 -0.695 2.924 -1.484 542 2HD2 LEU 79 2HD2 LEU 79 0.422 2.589 -2.809 543 3HD2 LEU 79 3HD2 LEU 79 -1.306 2.295 -3.013 544 H ASN 80 H ASN 80 -1.273 8.123 -5.077 545 HA ASN 80 HA ASN 80 -3.796 7.760 -3.933 546 1HB ASN 80 2HB ASN 80 -2.253 9.734 -3.635 547 2HB ASN 80 1HB ASN 80 -2.969 10.371 -5.110 548 1HD2 ASN 80 1HD2 ASN 80 -3.608 12.044 -3.713 549 2HD2 ASN 80 2HD2 ASN 80 -5.116 11.953 -2.855 550 H ASN 81 H ASN 81 -2.997 7.685 -7.115 551 HA ASN 81 HA ASN 81 -5.542 8.741 -8.059 552 1HB ASN 81 2HB ASN 81 -3.129 7.828 -9.610 553 2HB ASN 81 1HB ASN 81 -4.661 8.200 -10.393 554 1HD2 ASN 81 1HD2 ASN 81 -2.171 9.524 -10.770 555 2HD2 ASN 81 2HD2 ASN 81 -2.369 11.168 -10.311 556 H PHE 82 H PHE 82 -5.097 6.099 -6.600 557 HA PHE 82 HA PHE 82 -7.027 4.624 -8.265 558 1HB PHE 82 2HB PHE 82 -5.078 3.381 -6.273 559 2HB PHE 82 1HB PHE 82 -6.233 2.572 -7.331 560 HD1 PHE 82 1HD PHE 82 -5.849 2.482 -9.749 561 HD2 PHE 82 2HD PHE 82 -2.886 3.878 -7.027 562 HE1 PHE 82 1HE PHE 82 -4.112 2.095 -11.440 563 HE2 PHE 82 2HE PHE 82 -1.155 3.502 -8.717 564 HZ PHE 82 HZ PHE 82 -1.764 2.606 -10.926 565 H SER 83 H SER 83 -8.206 3.197 -6.770 566 HA SER 83 HA SER 83 -9.143 4.818 -4.511 567 1HB SER 83 2HB SER 83 -10.475 2.901 -6.373 568 2HB SER 83 1HB SER 83 -11.342 3.649 -4.999 569 HG SER 83 HG SER 83 -10.355 5.656 -6.216 570 H ALA 84 H ALA 84 -10.353 3.252 -2.875 571 HA ALA 84 HA ALA 84 -8.714 1.739 -1.408 572 1HB ALA 84 1HB ALA 84 -10.716 0.596 -0.499 573 2HB ALA 84 2HB ALA 84 -11.660 1.300 -1.825 574 3HB ALA 84 3HB ALA 84 -10.833 2.346 -0.656 575 H ASP 85 H ASP 85 -11.076 0.405 -3.733 576 HA ASP 85 HA ASP 85 -10.334 -2.336 -3.627 577 1HB ASP 85 2HB ASP 85 -11.728 -0.849 -5.880 578 2HB ASP 85 1HB ASP 85 -11.594 -2.594 -5.764 579 H GLN 86 H GLN 86 -9.460 0.284 -5.718 580 HA GLN 86 HA GLN 86 -7.940 -1.282 -7.544 581 1HB GLN 86 2HB GLN 86 -7.968 1.675 -7.038 582 2HB GLN 86 1HB GLN 86 -6.958 0.903 -8.256 583 1HG GLN 86 2HG GLN 86 -9.954 0.985 -8.135 584 2HG GLN 86 1HG GLN 86 -8.889 1.715 -9.346 585 1HE2 GLN 86 1HE2 GLN 86 -7.674 0.306 -10.673 586 2HE2 GLN 86 2HE2 GLN 86 -8.245 -1.291 -11.011 587 H VAL 87 H VAL 87 -6.858 0.691 -4.815 588 HA VAL 87 HA VAL 87 -4.218 -0.059 -5.352 589 HB VAL 87 HB VAL 87 -3.628 0.611 -3.015 590 1HG1 VAL 87 1HG1 VAL 87 -3.637 2.278 -4.763 591 2HG1 VAL 87 2HG1 VAL 87 -4.192 2.978 -3.241 592 3HG1 VAL 87 3HG1 VAL 87 -5.355 2.570 -4.502 593 1HG2 VAL 87 1HG2 VAL 87 -6.559 1.182 -2.734 594 2HG2 VAL 87 2HG2 VAL 87 -5.257 1.638 -1.613 595 3HG2 VAL 87 3HG2 VAL 87 -5.616 -0.064 -1.896 596 H THR 88 H THR 88 -6.668 -1.606 -3.297 597 HA THR 88 HA THR 88 -4.798 -3.466 -2.329 598 HB THR 88 HB THR 88 -6.840 -4.842 -1.688 599 HG1 THR 88 1HG THR 88 -8.283 -2.502 -2.398 600 1HG2 THR 88 1HG2 THR 88 -5.750 -3.259 -0.191 601 2HG2 THR 88 2HG2 THR 88 -7.502 -3.229 0.021 602 3HG2 THR 88 3HG2 THR 88 -6.700 -1.945 -0.884 603 H ARG 89 H ARG 89 -6.804 -3.605 -5.046 604 HA ARG 89 HA ARG 89 -6.123 -6.355 -5.649 605 1HB ARG 89 2HB ARG 89 -8.328 -5.327 -6.190 606 2HB ARG 89 1HB ARG 89 -7.524 -4.340 -7.394 607 1HG ARG 89 2HG ARG 89 -6.964 -6.293 -8.681 608 2HG ARG 89 1HG ARG 89 -7.628 -7.348 -7.425 609 1HD ARG 89 2HD ARG 89 -9.130 -5.334 -9.085 610 2HD ARG 89 1HD ARG 89 -9.268 -7.094 -9.161 611 HE ARG 89 HE ARG 89 -9.933 -6.790 -6.678 612 1HH1 ARG 89 1HH1 ARG 89 -10.955 -4.740 -9.387 613 2HH1 ARG 89 2HH1 ARG 89 -12.354 -4.166 -8.602 614 1HH2 ARG 89 1HH2 ARG 89 -11.813 -5.946 -5.585 615 2HH2 ARG 89 2HH2 ARG 89 -12.879 -4.898 -6.397 616 H ALA 90 H ALA 90 -5.273 -3.164 -7.016 617 HA ALA 90 HA ALA 90 -3.438 -4.219 -8.962 618 1HB ALA 90 1HB ALA 90 -4.283 -1.879 -9.060 619 2HB ALA 90 2HB ALA 90 -2.522 -1.971 -9.090 620 3HB ALA 90 3HB ALA 90 -3.354 -1.509 -7.606 621 H LEU 91 H LEU 91 -3.073 -3.343 -5.517 622 HA LEU 91 HA LEU 91 -0.338 -3.835 -5.340 623 1HB LEU 91 2HB LEU 91 -2.533 -4.316 -3.254 624 2HB LEU 91 1HB LEU 91 -1.004 -5.023 -3.114 625 HG LEU 91 HG LEU 91 0.218 -3.069 -2.829 626 1HD1 LEU 91 1HD1 LEU 91 -0.733 -1.694 -4.571 627 2HD1 LEU 91 2HD1 LEU 91 -0.655 -0.819 -3.042 628 3HD1 LEU 91 3HD1 LEU 91 -2.194 -1.467 -3.612 629 1HD2 LEU 91 1HD2 LEU 91 -2.392 -2.725 -1.378 630 2HD2 LEU 91 2HD2 LEU 91 -0.862 -1.967 -0.939 631 3HD2 LEU 91 3HD2 LEU 91 -1.029 -3.722 -0.867 632 H GLU 92 H GLU 92 -3.009 -6.088 -4.944 633 HA GLU 92 HA GLU 92 -1.396 -8.375 -4.690 634 1HB GLU 92 2HB GLU 92 -3.924 -8.243 -4.209 635 2HB GLU 92 1HB GLU 92 -4.147 -8.111 -5.915 636 1HG GLU 92 2HG GLU 92 -4.673 -10.341 -5.063 637 2HG GLU 92 1HG GLU 92 -3.450 -10.329 -6.329 638 H ASN 93 H ASN 93 -2.761 -7.031 -7.570 639 HA ASN 93 HA ASN 93 -1.728 -8.762 -9.435 640 1HB ASN 93 2HB ASN 93 -2.483 -5.909 -9.382 641 2HB ASN 93 1HB ASN 93 -1.717 -6.387 -10.855 642 1HD2 ASN 93 1HD2 ASN 93 -4.360 -5.482 -10.691 643 2HD2 ASN 93 2HD2 ASN 93 -5.418 -6.808 -11.007 644 H VAL 94 H VAL 94 -0.174 -5.699 -8.442 645 HA VAL 94 HA VAL 94 2.278 -6.298 -9.731 646 HB VAL 94 HB VAL 94 3.297 -4.756 -8.279 647 1HG1 VAL 94 1HG1 VAL 94 2.480 -4.036 -10.501 648 2HG1 VAL 94 2HG1 VAL 94 2.192 -2.695 -9.391 649 3HG1 VAL 94 3HG1 VAL 94 0.865 -3.765 -9.848 650 1HG2 VAL 94 1HG2 VAL 94 0.551 -4.119 -7.254 651 2HG2 VAL 94 2HG2 VAL 94 1.937 -3.039 -7.051 652 3HG2 VAL 94 3HG2 VAL 94 1.965 -4.653 -6.344 653 H LEU 95 H LEU 95 1.273 -6.955 -6.482 654 HA LEU 95 HA LEU 95 4.020 -7.524 -6.178 655 1HB LEU 95 2HB LEU 95 3.717 -7.503 -3.725 656 2HB LEU 95 1HB LEU 95 3.288 -6.054 -4.617 657 HG LEU 95 HG LEU 95 0.902 -6.813 -4.461 658 1HD1 LEU 95 1HD1 LEU 95 0.239 -8.217 -2.599 659 2HD1 LEU 95 2HD1 LEU 95 1.931 -8.629 -2.316 660 3HD1 LEU 95 3HD1 LEU 95 1.149 -9.096 -3.828 661 1HD2 LEU 95 1HD2 LEU 95 0.612 -5.872 -2.221 662 2HD2 LEU 95 2HD2 LEU 95 1.711 -4.945 -3.244 663 3HD2 LEU 95 3HD2 LEU 95 2.355 -5.993 -1.981 664 H SER 96 H SER 96 1.414 -9.384 -6.584 665 HA SER 96 HA SER 96 3.178 -11.416 -5.566 666 1HB SER 96 2HB SER 96 0.258 -11.828 -6.255 667 2HB SER 96 1HB SER 96 1.317 -12.988 -5.450 668 HG SER 96 HG SER 96 -0.192 -11.266 -4.391 669 H GLY 97 H GLY 97 2.046 -9.956 -8.498 670 1HA GLY 97 2HA GLY 97 3.277 -12.191 -9.899 671 2HA GLY 97 1HA GLY 97 1.712 -11.592 -10.398 672 H LYS 98 H LYS 98 3.460 -8.776 -9.460 673 HA LYS 98 HA LYS 98 4.048 -8.621 -12.315 674 1HB LYS 98 2HB LYS 98 3.075 -6.490 -10.513 675 2HB LYS 98 1HB LYS 98 4.089 -6.051 -11.877 676 1HG LYS 98 2HG LYS 98 1.501 -7.582 -12.054 677 2HG LYS 98 1HG LYS 98 1.706 -5.855 -12.382 678 1HD LYS 98 2HD LYS 98 3.409 -6.475 -14.106 679 2HD LYS 98 1HD LYS 98 2.957 -8.159 -13.868 680 1HE LYS 98 2HE LYS 98 1.808 -7.240 -15.800 681 2HE LYS 98 1HE LYS 98 0.651 -7.617 -14.524 682 1HZ LYS 98 1HZ LYS 98 1.741 -4.874 -14.978 683 2HZ LYS 98 2HZ LYS 98 0.432 -5.313 -13.994 684 3HZ LYS 98 3HZ LYS 98 0.310 -5.429 -15.638 685 H ALA 99 H ALA 99 5.275 -7.334 -9.529 686 HA ALA 99 HA ALA 99 7.753 -6.790 -10.987 687 1HB ALA 99 1HB ALA 99 6.896 -5.756 -8.307 688 2HB ALA 99 2HB ALA 99 6.537 -4.992 -9.830 689 3HB ALA 99 3HB ALA 99 8.233 -5.142 -9.300
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