NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22247 | 2jn6 | 15086 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 9.453 20.897 -7.647 2 2H MET 1 2HT MET 1 7.978 21.663 -7.306 3 3H MET 1 3HT MET 1 8.523 21.549 -8.909 4 HA MET 1 HA MET 1 6.765 19.962 -8.470 5 1HB MET 1 2HB MET 1 9.515 18.762 -8.871 6 2HB MET 1 1HB MET 1 8.015 17.901 -9.164 7 1HG MET 1 2HG MET 1 7.416 19.488 -10.900 8 2HG MET 1 1HG MET 1 8.896 20.395 -10.591 9 1HE MET 1 1HE MET 1 8.448 16.488 -10.583 10 2HE MET 1 2HE MET 1 8.834 16.091 -12.258 11 3HE MET 1 3HE MET 1 7.377 17.010 -11.886 12 HA PRO 2 HA PRO 2 6.901 18.359 -4.257 13 1HB PRO 2 2HB PRO 2 4.273 17.258 -4.933 14 2HB PRO 2 1HB PRO 2 4.697 18.450 -3.703 15 1HG PRO 2 2HG PRO 2 3.306 19.099 -5.924 16 2HG PRO 2 1HG PRO 2 4.433 20.226 -5.144 17 1HD PRO 2 2HD PRO 2 4.839 18.514 -7.574 18 2HD PRO 2 1HD PRO 2 5.315 20.204 -7.293 19 H THR 3 H THR 3 7.079 16.263 -3.377 20 HA THR 3 HA THR 3 7.808 14.273 -5.352 21 HB THR 3 HB THR 3 8.710 13.007 -3.418 22 HG1 THR 3 1HG THR 3 7.074 14.270 -1.988 23 1HG2 THR 3 1HG2 THR 3 9.582 15.895 -3.582 24 2HG2 THR 3 2HG2 THR 3 10.171 14.566 -4.580 25 3HG2 THR 3 3HG2 THR 3 10.517 14.591 -2.850 26 H LYS 4 H LYS 4 6.482 12.731 -5.970 27 HA LYS 4 HA LYS 4 4.116 12.013 -4.502 28 1HB LYS 4 2HB LYS 4 4.468 11.976 -7.074 29 2HB LYS 4 1HB LYS 4 5.313 10.465 -6.800 30 1HG LYS 4 2HG LYS 4 2.445 11.001 -6.054 31 2HG LYS 4 1HG LYS 4 2.978 10.164 -7.511 32 1HD LYS 4 2HD LYS 4 4.233 8.633 -5.787 33 2HD LYS 4 1HD LYS 4 3.020 9.261 -4.670 34 1HE LYS 4 2HE LYS 4 2.219 7.200 -5.616 35 2HE LYS 4 1HE LYS 4 1.256 8.534 -6.255 36 1HZ LYS 4 1HZ LYS 4 2.511 8.468 -8.293 37 2HZ LYS 4 2HZ LYS 4 1.921 6.915 -7.966 38 3HZ LYS 4 3HZ LYS 4 3.550 7.281 -7.673 39 H THR 5 H THR 5 4.983 11.377 -2.536 40 HA THR 5 HA THR 5 7.141 9.520 -2.379 41 HB THR 5 HB THR 5 7.210 10.974 -0.628 42 HG1 THR 5 1HG THR 5 5.725 9.093 0.810 43 1HG2 THR 5 1HG2 THR 5 4.258 10.579 -0.148 44 2HG2 THR 5 2HG2 THR 5 4.997 11.978 -0.927 45 3HG2 THR 5 3HG2 THR 5 5.317 11.646 0.776 46 H TYR 6 H TYR 6 7.207 7.548 -1.531 47 HA TYR 6 HA TYR 6 4.819 6.082 -0.857 48 1HB TYR 6 2HB TYR 6 5.605 4.178 -2.387 49 2HB TYR 6 1HB TYR 6 4.762 5.516 -3.145 50 HD1 TYR 6 1HD TYR 6 7.860 3.637 -2.947 51 HD2 TYR 6 2HD TYR 6 6.058 7.174 -4.474 52 HE1 TYR 6 1HE TYR 6 9.724 3.902 -4.525 53 HE2 TYR 6 2HE TYR 6 7.917 7.448 -6.058 54 HH TYR 6 HH TYR 6 10.235 6.770 -6.312 55 H SER 7 H SER 7 5.315 5.139 1.001 56 HA SER 7 HA SER 7 7.996 5.020 1.939 57 1HB SER 7 2HB SER 7 5.517 3.767 3.140 58 2HB SER 7 1HB SER 7 7.037 4.089 3.973 59 HG SER 7 HG SER 7 5.323 5.684 4.287 60 H GLU 8 H GLU 8 9.082 3.118 2.741 61 HA GLU 8 HA GLU 8 9.292 1.015 0.895 62 1HB GLU 8 2HB GLU 8 10.038 0.626 3.778 63 2HB GLU 8 1HB GLU 8 10.854 0.039 2.340 64 1HG GLU 8 2HG GLU 8 12.282 1.672 3.125 65 2HG GLU 8 1HG GLU 8 11.364 2.519 1.881 66 H GLU 9 H GLU 9 7.247 1.503 3.624 67 HA GLU 9 HA GLU 9 6.426 -1.031 4.326 68 1HB GLU 9 2HB GLU 9 5.748 1.127 5.403 69 2HB GLU 9 1HB GLU 9 4.642 1.395 4.066 70 1HG GLU 9 2HG GLU 9 3.314 0.536 5.777 71 2HG GLU 9 1HG GLU 9 3.585 -0.826 4.692 72 H PHE 10 H PHE 10 5.402 0.950 1.585 73 HA PHE 10 HA PHE 10 3.233 -0.710 0.809 74 1HB PHE 10 2HB PHE 10 3.601 1.720 0.159 75 2HB PHE 10 1HB PHE 10 4.782 1.138 -1.009 76 HD1 PHE 10 1HD PHE 10 1.233 0.721 0.004 77 HD2 PHE 10 2HD PHE 10 4.098 0.540 -3.135 78 HE1 PHE 10 1HE PHE 10 -0.576 0.355 -1.617 79 HE2 PHE 10 2HE PHE 10 2.292 0.167 -4.765 80 HZ PHE 10 HZ PHE 10 -0.050 0.076 -4.007 81 H LYS 11 H LYS 11 6.573 -0.406 -0.377 82 HA LYS 11 HA LYS 11 6.496 -2.471 -2.279 83 1HB LYS 11 2HB LYS 11 8.860 -1.735 -0.540 84 2HB LYS 11 1HB LYS 11 8.908 -2.512 -2.112 85 1HG LYS 11 2HG LYS 11 8.166 -0.492 -3.194 86 2HG LYS 11 1HG LYS 11 7.938 0.300 -1.630 87 1HD LYS 11 2HD LYS 11 10.348 0.029 -1.173 88 2HD LYS 11 1HD LYS 11 10.555 -0.690 -2.767 89 1HE LYS 11 2HE LYS 11 9.923 1.370 -3.835 90 2HE LYS 11 1HE LYS 11 9.514 2.099 -2.282 91 1HZ LYS 11 1HZ LYS 11 12.242 1.210 -3.085 92 2HZ LYS 11 2HZ LYS 11 11.824 1.964 -1.630 93 3HZ LYS 11 3HZ LYS 11 11.693 2.810 -3.083 94 H ARG 12 H ARG 12 7.293 -2.435 1.138 95 HA ARG 12 HA ARG 12 8.028 -5.088 1.559 96 1HB ARG 12 2HB ARG 12 8.358 -3.264 3.156 97 2HB ARG 12 1HB ARG 12 6.624 -3.125 3.379 98 1HG ARG 12 2HG ARG 12 6.616 -5.405 4.347 99 2HG ARG 12 1HG ARG 12 8.381 -5.416 4.226 100 1HD ARG 12 2HD ARG 12 8.439 -3.350 5.587 101 2HD ARG 12 1HD ARG 12 6.695 -3.463 5.784 102 HE ARG 12 HE ARG 12 8.293 -5.736 6.670 103 1HH1 ARG 12 1HH1 ARG 12 6.380 -2.916 7.462 104 2HH1 ARG 12 2HH1 ARG 12 6.318 -3.279 9.161 105 1HH2 ARG 12 1HH2 ARG 12 8.225 -6.219 8.902 106 2HH2 ARG 12 2HH2 ARG 12 7.379 -5.147 9.990 107 H ASP 13 H ASP 13 4.846 -3.544 1.891 108 HA ASP 13 HA ASP 13 3.478 -5.868 2.737 109 1HB ASP 13 2HB ASP 13 2.688 -3.521 3.084 110 2HB ASP 13 1HB ASP 13 2.326 -3.432 1.363 111 H ALA 14 H ALA 14 4.068 -4.429 -0.413 112 HA ALA 14 HA ALA 14 2.341 -5.990 -1.968 113 1HB ALA 14 1HB ALA 14 3.441 -3.993 -2.825 114 2HB ALA 14 2HB ALA 14 3.786 -5.382 -3.854 115 3HB ALA 14 3HB ALA 14 5.008 -4.797 -2.727 116 H VAL 15 H VAL 15 5.734 -6.542 -1.052 117 HA VAL 15 HA VAL 15 5.929 -9.035 -2.416 118 HB VAL 15 HB VAL 15 7.625 -8.011 -0.129 119 1HG1 VAL 15 1HG1 VAL 15 7.860 -10.416 -0.459 120 2HG1 VAL 15 2HG1 VAL 15 9.319 -9.567 -0.967 121 3HG1 VAL 15 3HG1 VAL 15 8.180 -10.160 -2.175 122 1HG2 VAL 15 1HG2 VAL 15 7.628 -6.462 -2.003 123 2HG2 VAL 15 2HG2 VAL 15 8.022 -7.779 -3.109 124 3HG2 VAL 15 3HG2 VAL 15 9.183 -7.284 -1.877 125 H ALA 16 H ALA 16 5.048 -8.078 0.858 126 HA ALA 16 HA ALA 16 5.010 -10.650 2.015 127 1HB ALA 16 1HB ALA 16 4.981 -8.578 3.325 128 2HB ALA 16 2HB ALA 16 3.657 -9.656 3.770 129 3HB ALA 16 3HB ALA 16 3.345 -8.248 2.754 130 H LEU 17 H LEU 17 2.641 -8.854 0.153 131 HA LEU 17 HA LEU 17 0.467 -10.638 0.524 132 1HB LEU 17 2HB LEU 17 0.866 -8.213 -0.740 133 2HB LEU 17 1HB LEU 17 0.600 -9.302 -2.084 134 HG LEU 17 HG LEU 17 -1.479 -8.242 -1.431 135 1HD1 LEU 17 1HD1 LEU 17 -1.398 -11.157 -0.686 136 2HD1 LEU 17 2HD1 LEU 17 -1.651 -10.489 -2.298 137 3HD1 LEU 17 3HD1 LEU 17 -2.861 -10.238 -1.038 138 1HD2 LEU 17 1HD2 LEU 17 -1.025 -9.497 1.271 139 2HD2 LEU 17 2HD2 LEU 17 -2.489 -8.655 0.760 140 3HD2 LEU 17 3HD2 LEU 17 -0.966 -7.774 0.898 141 H TYR 18 H TYR 18 3.207 -10.557 -1.656 142 HA TYR 18 HA TYR 18 2.315 -12.554 -3.457 143 1HB TYR 18 2HB TYR 18 4.155 -10.970 -3.956 144 2HB TYR 18 1HB TYR 18 5.157 -11.778 -2.756 145 HD1 TYR 18 1HD TYR 18 3.179 -12.559 -5.827 146 HD2 TYR 18 2HD TYR 18 6.616 -13.435 -3.474 147 HE1 TYR 18 1HE TYR 18 3.950 -14.134 -7.549 148 HE2 TYR 18 2HE TYR 18 7.394 -15.015 -5.190 149 HH TYR 18 HH TYR 18 5.914 -15.201 -8.312 150 H GLU 19 H GLU 19 3.738 -12.687 -0.295 151 HA GLU 19 HA GLU 19 4.571 -15.394 -0.308 152 1HB GLU 19 2HB GLU 19 3.502 -13.793 2.026 153 2HB GLU 19 1HB GLU 19 4.454 -15.265 2.128 154 1HG GLU 19 2HG GLU 19 6.358 -14.103 1.135 155 2HG GLU 19 1HG GLU 19 5.398 -12.627 1.032 156 H ASN 20 H ASN 20 1.500 -13.874 -0.218 157 HA ASN 20 HA ASN 20 0.158 -16.306 0.726 158 1HB ASN 20 2HB ASN 20 -0.722 -13.431 0.460 159 2HB ASN 20 1HB ASN 20 -1.854 -14.734 0.793 160 1HD2 ASN 20 1HD2 ASN 20 0.764 -12.821 2.034 161 2HD2 ASN 20 2HD2 ASN 20 0.600 -13.306 3.683 162 H SER 21 H SER 21 1.356 -15.827 -1.975 163 HA SER 21 HA SER 21 -0.645 -15.322 -3.879 164 1HB SER 21 2HB SER 21 0.966 -16.462 -5.463 165 2HB SER 21 1HB SER 21 1.617 -15.103 -4.550 166 HG SER 21 HG SER 21 2.955 -16.396 -3.573 167 H ASP 22 H ASP 22 -0.003 -18.091 -1.998 168 HA ASP 22 HA ASP 22 -0.951 -20.211 -3.455 169 1HB ASP 22 2HB ASP 22 -0.149 -20.420 -1.147 170 2HB ASP 22 1HB ASP 22 -1.579 -19.574 -0.564 171 H GLY 23 H GLY 23 -2.788 -17.691 -1.853 172 1HA GLY 23 2HA GLY 23 -5.197 -18.624 -3.288 173 2HA GLY 23 1HA GLY 23 -5.258 -17.898 -1.688 174 H ALA 24 H ALA 24 -2.980 -16.542 -3.857 175 HA ALA 24 HA ALA 24 -4.839 -14.432 -4.663 176 1HB ALA 24 1HB ALA 24 -3.797 -13.699 -2.550 177 2HB ALA 24 2HB ALA 24 -3.356 -12.670 -3.912 178 3HB ALA 24 3HB ALA 24 -2.210 -13.862 -3.300 179 H SER 25 H SER 25 -4.673 -14.332 -6.786 180 HA SER 25 HA SER 25 -2.432 -15.301 -8.241 181 1HB SER 25 2HB SER 25 -4.738 -15.355 -9.140 182 2HB SER 25 1HB SER 25 -4.753 -13.592 -9.186 183 HG SER 25 HG SER 25 -3.380 -15.426 -10.811 184 H LEU 26 H LEU 26 -1.059 -14.077 -9.653 185 HA LEU 26 HA LEU 26 0.209 -11.887 -8.520 186 1HB LEU 26 2HB LEU 26 0.997 -13.490 -10.367 187 2HB LEU 26 1HB LEU 26 0.156 -12.434 -11.481 188 HG LEU 26 HG LEU 26 2.655 -12.083 -11.272 189 1HD1 LEU 26 1HD1 LEU 26 0.847 -9.744 -10.708 190 2HD1 LEU 26 2HD1 LEU 26 1.259 -10.399 -12.292 191 3HD1 LEU 26 3HD1 LEU 26 2.502 -9.634 -11.304 192 1HD2 LEU 26 1HD2 LEU 26 3.429 -10.744 -9.366 193 2HD2 LEU 26 2HD2 LEU 26 2.874 -12.345 -8.877 194 3HD2 LEU 26 3HD2 LEU 26 1.851 -10.936 -8.604 195 H GLN 27 H GLN 27 -2.285 -12.000 -11.038 196 HA GLN 27 HA GLN 27 -2.459 -9.201 -11.398 197 1HB GLN 27 2HB GLN 27 -3.370 -10.696 -13.074 198 2HB GLN 27 1HB GLN 27 -4.501 -11.371 -11.908 199 1HG GLN 27 2HG GLN 27 -5.657 -9.835 -13.357 200 2HG GLN 27 1HG GLN 27 -5.591 -9.176 -11.726 201 1HE2 GLN 27 1HE2 GLN 27 -5.881 -7.080 -12.417 202 2HE2 GLN 27 2HE2 GLN 27 -4.646 -6.185 -13.228 203 H GLN 28 H GLN 28 -4.245 -11.478 -9.358 204 HA GLN 28 HA GLN 28 -6.248 -9.814 -8.420 205 1HB GLN 28 2HB GLN 28 -5.883 -12.340 -8.068 206 2HB GLN 28 1HB GLN 28 -4.908 -11.880 -6.683 207 1HG GLN 28 2HG GLN 28 -7.664 -10.785 -6.894 208 2HG GLN 28 1HG GLN 28 -7.466 -12.479 -6.464 209 1HE2 GLN 28 1HE2 GLN 28 -7.107 -9.203 -5.449 210 2HE2 GLN 28 2HE2 GLN 28 -6.699 -9.546 -3.798 211 H ILE 29 H ILE 29 -3.003 -10.330 -7.081 212 HA ILE 29 HA ILE 29 -3.236 -8.700 -4.823 213 HB ILE 29 HB ILE 29 -0.756 -9.153 -6.493 214 1HG1 ILE 29 2HG1 ILE 29 -1.768 -10.681 -4.082 215 2HG1 ILE 29 1HG1 ILE 29 -1.867 -11.247 -5.746 216 1HG2 ILE 29 1HG2 ILE 29 0.460 -8.662 -4.427 217 2HG2 ILE 29 2HG2 ILE 29 -1.068 -8.321 -3.612 218 3HG2 ILE 29 3HG2 ILE 29 -0.526 -7.292 -4.938 219 1HD1 ILE 29 1HD1 ILE 29 0.560 -11.247 -5.891 220 2HD1 ILE 29 2HD1 ILE 29 -0.013 -12.276 -4.578 221 3HD1 ILE 29 3HD1 ILE 29 0.658 -10.684 -4.225 222 H ALA 30 H ALA 30 -1.833 -7.844 -7.992 223 HA ALA 30 HA ALA 30 -1.441 -5.119 -7.353 224 1HB ALA 30 1HB ALA 30 -1.049 -4.804 -9.737 225 2HB ALA 30 2HB ALA 30 -1.734 -6.396 -10.067 226 3HB ALA 30 3HB ALA 30 -0.233 -6.255 -9.153 227 H ASN 31 H ASN 31 -4.082 -6.877 -8.827 228 HA ASN 31 HA ASN 31 -5.573 -4.655 -9.754 229 1HB ASN 31 2HB ASN 31 -5.844 -7.011 -10.534 230 2HB ASN 31 1HB ASN 31 -6.555 -7.412 -8.979 231 1HD2 ASN 31 1HD2 ASN 31 -8.428 -8.090 -9.995 232 2HD2 ASN 31 2HD2 ASN 31 -9.584 -6.971 -10.624 233 H ASP 32 H ASP 32 -5.494 -6.412 -6.701 234 HA ASP 32 HA ASP 32 -7.838 -5.211 -5.608 235 1HB ASP 32 2HB ASP 32 -6.903 -7.349 -4.776 236 2HB ASP 32 1HB ASP 32 -5.502 -6.483 -4.163 237 H LEU 33 H LEU 33 -4.386 -4.500 -5.404 238 HA LEU 33 HA LEU 33 -4.716 -2.298 -3.617 239 1HB LEU 33 2HB LEU 33 -2.450 -3.396 -5.222 240 2HB LEU 33 1HB LEU 33 -2.313 -1.782 -4.560 241 HG LEU 33 HG LEU 33 -2.660 -2.698 -2.287 242 1HD1 LEU 33 1HD1 LEU 33 -2.574 -5.371 -3.679 243 2HD1 LEU 33 2HD1 LEU 33 -3.956 -4.672 -2.833 244 3HD1 LEU 33 3HD1 LEU 33 -2.507 -5.121 -1.933 245 1HD2 LEU 33 1HD2 LEU 33 -0.469 -3.742 -2.083 246 2HD2 LEU 33 2HD2 LEU 33 -0.411 -2.347 -3.160 247 3HD2 LEU 33 3HD2 LEU 33 -0.409 -3.979 -3.829 248 H GLY 34 H GLY 34 -4.411 -2.657 -7.103 249 1HA GLY 34 2HA GLY 34 -5.556 -1.114 -8.565 250 2HA GLY 34 1HA GLY 34 -5.256 0.156 -7.389 251 H ILE 35 H ILE 35 -2.664 -1.976 -7.924 252 HA ILE 35 HA ILE 35 -1.267 0.146 -9.402 253 HB ILE 35 HB ILE 35 0.827 -0.890 -8.597 254 1HG1 ILE 35 2HG1 ILE 35 -0.994 -2.614 -6.898 255 2HG1 ILE 35 1HG1 ILE 35 -0.078 -3.188 -8.288 256 1HG2 ILE 35 1HG2 ILE 35 -1.144 -0.104 -6.454 257 2HG2 ILE 35 2HG2 ILE 35 -0.112 0.979 -7.388 258 3HG2 ILE 35 3HG2 ILE 35 0.608 -0.159 -6.251 259 1HD1 ILE 35 1HD1 ILE 35 2.002 -2.571 -7.105 260 2HD1 ILE 35 2HD1 ILE 35 1.052 -3.794 -6.265 261 3HD1 ILE 35 3HD1 ILE 35 1.034 -2.122 -5.700 262 H ASN 36 H ASN 36 0.620 -0.787 -10.769 263 HA ASN 36 HA ASN 36 -0.515 -2.599 -12.670 264 1HB ASN 36 2HB ASN 36 0.966 -0.624 -13.227 265 2HB ASN 36 1HB ASN 36 2.315 -1.551 -12.594 266 1HD2 ASN 36 1HD2 ASN 36 -0.094 -1.351 -15.088 267 2HD2 ASN 36 2HD2 ASN 36 0.693 -2.408 -16.192 268 H ARG 37 H ARG 37 0.158 -4.661 -13.168 269 HA ARG 37 HA ARG 37 1.105 -6.198 -10.985 270 1HB ARG 37 2HB ARG 37 0.837 -8.091 -12.502 271 2HB ARG 37 1HB ARG 37 -0.570 -7.057 -12.497 272 1HG ARG 37 2HG ARG 37 0.148 -6.081 -14.617 273 2HG ARG 37 1HG ARG 37 1.554 -7.154 -14.623 274 1HD ARG 37 2HD ARG 37 0.074 -9.099 -14.633 275 2HD ARG 37 1HD ARG 37 -1.331 -8.039 -14.595 276 HE ARG 37 HE ARG 37 0.218 -7.354 -16.823 277 1HH1 ARG 37 1HH1 ARG 37 -1.716 -10.028 -15.649 278 2HH1 ARG 37 2HH1 ARG 37 -2.157 -10.587 -17.233 279 1HH2 ARG 37 1HH2 ARG 37 -0.359 -8.073 -18.921 280 2HH2 ARG 37 2HH2 ARG 37 -1.377 -9.479 -19.097 281 H VAL 38 H VAL 38 2.589 -4.860 -13.835 282 HA VAL 38 HA VAL 38 4.977 -6.428 -13.679 283 HB VAL 38 HB VAL 38 4.544 -3.758 -15.031 284 1HG1 VAL 38 1HG1 VAL 38 6.732 -5.804 -15.380 285 2HG1 VAL 38 2HG1 VAL 38 6.899 -4.198 -14.669 286 3HG1 VAL 38 3HG1 VAL 38 6.506 -4.368 -16.379 287 1HG2 VAL 38 1HG2 VAL 38 3.037 -5.497 -15.861 288 2HG2 VAL 38 2HG2 VAL 38 4.423 -6.543 -16.177 289 3HG2 VAL 38 3HG2 VAL 38 4.231 -5.035 -17.073 290 H THR 39 H THR 39 4.058 -3.152 -12.631 291 HA THR 39 HA THR 39 6.511 -2.436 -11.473 292 HB THR 39 HB THR 39 3.780 -1.596 -10.482 293 HG1 THR 39 1HG THR 39 5.300 -0.725 -12.739 294 1HG2 THR 39 1HG2 THR 39 5.665 -0.862 -9.098 295 2HG2 THR 39 2HG2 THR 39 4.925 0.505 -9.933 296 3HG2 THR 39 3HG2 THR 39 6.444 -0.173 -10.521 297 H LEU 40 H LEU 40 3.730 -4.193 -10.197 298 HA LEU 40 HA LEU 40 4.617 -4.573 -7.562 299 1HB LEU 40 2HB LEU 40 2.339 -5.064 -8.227 300 2HB LEU 40 1HB LEU 40 2.888 -6.285 -9.359 301 HG LEU 40 HG LEU 40 3.758 -7.587 -7.393 302 1HD1 LEU 40 1HD1 LEU 40 2.822 -7.045 -5.194 303 2HD1 LEU 40 2HD1 LEU 40 2.165 -5.545 -5.854 304 3HD1 LEU 40 3HD1 LEU 40 3.911 -5.791 -5.784 305 1HD2 LEU 40 1HD2 LEU 40 0.796 -7.020 -7.456 306 2HD2 LEU 40 2HD2 LEU 40 1.569 -8.458 -6.787 307 3HD2 LEU 40 3HD2 LEU 40 1.661 -8.134 -8.517 308 H LYS 41 H LYS 41 4.982 -6.547 -10.470 309 HA LYS 41 HA LYS 41 6.385 -8.708 -9.433 310 1HB LYS 41 2HB LYS 41 5.367 -8.338 -11.763 311 2HB LYS 41 1HB LYS 41 6.878 -7.549 -12.171 312 1HG LYS 41 2HG LYS 41 8.104 -9.590 -11.759 313 2HG LYS 41 1HG LYS 41 6.628 -10.394 -11.213 314 1HD LYS 41 2HD LYS 41 5.647 -9.952 -13.466 315 2HD LYS 41 1HD LYS 41 7.221 -9.351 -13.980 316 1HE LYS 41 2HE LYS 41 6.721 -12.122 -12.908 317 2HE LYS 41 1HE LYS 41 6.772 -11.713 -14.621 318 1HZ LYS 41 1HZ LYS 41 8.886 -12.539 -14.034 319 2HZ LYS 41 2HZ LYS 41 8.989 -11.558 -12.661 320 3HZ LYS 41 3HZ LYS 41 9.072 -10.862 -14.204 321 H ASN 42 H ASN 42 7.545 -5.610 -10.633 322 HA ASN 42 HA ASN 42 10.287 -6.045 -10.533 323 1HB ASN 42 2HB ASN 42 8.570 -3.619 -10.289 324 2HB ASN 42 1HB ASN 42 10.267 -3.476 -9.852 325 1HD2 ASN 42 1HD2 ASN 42 11.841 -3.725 -11.428 326 2HD2 ASN 42 2HD2 ASN 42 11.474 -3.646 -13.118 327 H TRP 43 H TRP 43 8.220 -4.724 -7.917 328 HA TRP 43 HA TRP 43 10.325 -4.520 -6.046 329 1HB TRP 43 2HB TRP 43 7.342 -4.743 -5.626 330 2HB TRP 43 1HB TRP 43 8.489 -4.452 -4.323 331 HD1 TRP 43 HD TRP 43 10.285 -2.344 -6.151 332 HE1 TRP 43 1HE TRP 43 9.348 0.040 -6.418 333 HE3 TRP 43 3HE TRP 43 5.396 -3.253 -4.979 334 HZ2 TRP 43 2HZ TRP 43 6.866 1.362 -6.159 335 HZ3 TRP 43 3HZ TRP 43 3.809 -1.380 -5.009 336 HH2 TRP 43 HH TRP 43 4.531 0.877 -5.586 337 H ILE 44 H ILE 44 8.086 -7.116 -6.810 338 HA ILE 44 HA ILE 44 8.587 -8.828 -4.667 339 HB ILE 44 HB ILE 44 7.941 -9.526 -7.538 340 1HG1 ILE 44 2HG1 ILE 44 6.160 -9.351 -5.097 341 2HG1 ILE 44 1HG1 ILE 44 6.284 -8.109 -6.337 342 1HG2 ILE 44 1HG2 ILE 44 7.242 -11.702 -6.710 343 2HG2 ILE 44 2HG2 ILE 44 7.747 -11.262 -5.079 344 3HG2 ILE 44 3HG2 ILE 44 8.949 -11.425 -6.360 345 1HD1 ILE 44 1HD1 ILE 44 5.314 -10.926 -6.763 346 2HD1 ILE 44 2HD1 ILE 44 5.431 -9.672 -7.996 347 3HD1 ILE 44 3HD1 ILE 44 4.308 -9.481 -6.652 348 H ILE 45 H ILE 45 10.269 -8.580 -7.790 349 HA ILE 45 HA ILE 45 12.169 -10.631 -7.140 350 HB ILE 45 HB ILE 45 12.302 -8.517 -9.298 351 1HG1 ILE 45 2HG1 ILE 45 11.298 -11.370 -9.451 352 2HG1 ILE 45 1HG1 ILE 45 10.275 -9.938 -9.432 353 1HG2 ILE 45 1HG2 ILE 45 14.471 -9.495 -8.869 354 2HG2 ILE 45 2HG2 ILE 45 13.846 -10.073 -10.413 355 3HG2 ILE 45 3HG2 ILE 45 13.791 -11.120 -8.995 356 1HD1 ILE 45 1HD1 ILE 45 12.289 -10.637 -11.561 357 2HD1 ILE 45 2HD1 ILE 45 11.250 -9.211 -11.542 358 3HD1 ILE 45 3HD1 ILE 45 10.538 -10.818 -11.681 359 H LYS 46 H LYS 46 12.017 -7.160 -6.881 360 HA LYS 46 HA LYS 46 14.775 -6.649 -6.558 361 1HB LYS 46 2HB LYS 46 13.162 -4.942 -7.228 362 2HB LYS 46 1HB LYS 46 12.383 -5.046 -5.657 363 1HG LYS 46 2HG LYS 46 14.608 -4.370 -4.663 364 2HG LYS 46 1HG LYS 46 15.105 -3.972 -6.311 365 1HD LYS 46 2HD LYS 46 13.305 -2.384 -6.518 366 2HD LYS 46 1HD LYS 46 12.664 -2.848 -4.941 367 1HE LYS 46 2HE LYS 46 15.239 -1.424 -5.550 368 2HE LYS 46 1HE LYS 46 13.860 -0.829 -4.625 369 1HZ LYS 46 1HZ LYS 46 14.438 -2.931 -3.177 370 2HZ LYS 46 2HZ LYS 46 15.209 -1.447 -2.929 371 3HZ LYS 46 3HZ LYS 46 15.983 -2.668 -3.819 372 H TYR 47 H TYR 47 12.189 -7.278 -4.208 373 HA TYR 47 HA TYR 47 14.173 -7.034 -2.059 374 1HB TYR 47 2HB TYR 47 11.160 -7.043 -2.032 375 2HB TYR 47 1HB TYR 47 12.121 -7.174 -0.562 376 HD1 TYR 47 1HD TYR 47 10.904 -4.953 -3.155 377 HD2 TYR 47 2HD TYR 47 13.593 -5.295 0.123 378 HE1 TYR 47 1HE TYR 47 11.128 -2.506 -3.089 379 HE2 TYR 47 2HE TYR 47 13.819 -2.849 0.201 380 HH TYR 47 HH TYR 47 13.557 -0.920 -1.314 381 H GLY 48 H GLY 48 11.856 -9.315 -3.455 382 1HA GLY 48 2HA GLY 48 12.780 -11.423 -1.667 383 2HA GLY 48 1HA GLY 48 11.554 -11.576 -2.919 384 H SER 49 H SER 49 14.924 -10.475 -3.001 385 HA SER 49 HA SER 49 15.427 -11.724 -5.494 386 1HB SER 49 2HB SER 49 17.413 -10.655 -3.476 387 2HB SER 49 1HB SER 49 17.726 -10.968 -5.183 388 HG SER 49 HG SER 49 15.713 -9.427 -5.309 389 H ASN 50 H ASN 50 16.086 -12.641 -2.148 390 HA ASN 50 HA ASN 50 17.805 -14.813 -2.791 391 1HB ASN 50 2HB ASN 50 16.135 -14.419 -0.313 392 2HB ASN 50 1HB ASN 50 17.474 -15.538 -0.477 393 1HD2 ASN 50 1HD2 ASN 50 17.081 -13.319 1.386 394 2HD2 ASN 50 2HD2 ASN 50 18.445 -12.275 1.164 395 H HIS 51 H HIS 51 17.259 -16.521 -3.796 396 HA HIS 51 HA HIS 51 15.158 -18.284 -3.266 397 1HB HIS 51 2HB HIS 51 14.553 -16.144 -5.251 398 2HB HIS 51 1HB HIS 51 14.128 -17.784 -5.719 399 HD1 HIS 51 1HD HIS 51 12.101 -15.398 -5.088 400 HD2 HIS 51 2HD HIS 51 13.076 -18.560 -2.560 401 HE1 HIS 51 1HE HIS 51 10.154 -15.636 -3.510 402 HE2 HIS 51 2HE HIS 51 10.843 -17.435 -1.882 403 H ASN 52 H ASN 52 14.798 -19.579 -5.603 404 HA ASN 52 HA ASN 52 17.490 -20.389 -6.366 405 1HB ASN 52 2HB ASN 52 15.501 -21.972 -5.902 406 2HB ASN 52 1HB ASN 52 14.895 -21.474 -7.476 407 1HD2 ASN 52 1HD2 ASN 52 15.741 -24.090 -6.502 408 2HD2 ASN 52 2HD2 ASN 52 16.978 -24.629 -7.594 409 H VAL 53 H VAL 53 16.965 -17.793 -7.098 410 HA VAL 53 HA VAL 53 15.988 -17.698 -9.813 411 HB VAL 53 HB VAL 53 16.575 -15.268 -9.697 412 1HG1 VAL 53 1HG1 VAL 53 14.794 -14.703 -8.101 413 2HG1 VAL 53 2HG1 VAL 53 14.838 -16.356 -7.483 414 3HG1 VAL 53 3HG1 VAL 53 14.345 -16.049 -9.148 415 1HG2 VAL 53 1HG2 VAL 53 17.151 -14.305 -7.532 416 2HG2 VAL 53 2HG2 VAL 53 18.408 -15.412 -8.085 417 3HG2 VAL 53 3HG2 VAL 53 17.271 -15.918 -6.833 418 H GLN 54 H GLN 54 19.134 -17.360 -8.198 419 HA GLN 54 HA GLN 54 20.626 -18.210 -10.418 420 1HB GLN 54 2HB GLN 54 19.750 -15.851 -11.108 421 2HB GLN 54 1HB GLN 54 20.951 -15.249 -9.977 422 1HG GLN 54 2HG GLN 54 21.775 -15.245 -12.276 423 2HG GLN 54 1HG GLN 54 22.723 -16.310 -11.239 424 1HE2 GLN 54 1HE2 GLN 54 19.559 -17.186 -12.424 425 2HE2 GLN 54 2HE2 GLN 54 20.099 -18.419 -13.514 426 H GLY 55 H GLY 55 23.022 -16.812 -9.957 427 1HA GLY 55 2HA GLY 55 23.907 -18.092 -7.571 428 2HA GLY 55 1HA GLY 55 24.870 -17.073 -8.617 429 H THR 56 H THR 56 25.034 -14.882 -8.188 430 HA THR 56 HA THR 56 23.621 -13.744 -5.938 431 HB THR 56 HB THR 56 26.139 -13.000 -5.200 432 HG1 THR 56 1HG THR 56 26.802 -14.796 -6.754 433 1HG2 THR 56 1HG2 THR 56 24.610 -15.388 -4.166 434 2HG2 THR 56 2HG2 THR 56 24.321 -13.708 -3.713 435 3HG2 THR 56 3HG2 THR 56 25.845 -14.488 -3.292 436 H THR 57 H THR 57 22.855 -12.134 -7.200 437 HA THR 57 HA THR 57 24.843 -10.135 -8.035 438 HB THR 57 HB THR 57 23.096 -9.453 -9.797 439 HG1 THR 57 1HG THR 57 21.327 -10.627 -9.559 440 1HG2 THR 57 1HG2 THR 57 23.977 -11.026 -11.438 441 2HG2 THR 57 2HG2 THR 57 24.519 -12.097 -10.145 442 3HG2 THR 57 3HG2 THR 57 25.257 -10.507 -10.343 443 HA PRO 58 HA PRO 58 22.480 -7.800 -5.033 444 1HB PRO 58 2HB PRO 58 23.782 -5.425 -5.417 445 2HB PRO 58 1HB PRO 58 24.416 -6.741 -4.423 446 1HG PRO 58 2HG PRO 58 25.098 -5.989 -7.235 447 2HG PRO 58 1HG PRO 58 26.168 -6.526 -5.927 448 1HD PRO 58 2HD PRO 58 25.360 -8.174 -7.915 449 2HD PRO 58 1HD PRO 58 25.674 -8.752 -6.266 450 H SER 59 H SER 59 20.552 -7.925 -6.275 451 HA SER 59 HA SER 59 20.145 -6.006 -8.421 452 1HB SER 59 2HB SER 59 18.224 -8.076 -7.339 453 2HB SER 59 1HB SER 59 18.122 -7.234 -8.885 454 HG SER 59 HG SER 59 20.187 -9.028 -8.099 455 H ALA 60 H ALA 60 19.375 -6.461 -5.087 456 HA ALA 60 HA ALA 60 17.034 -4.947 -4.884 457 1HB ALA 60 1HB ALA 60 19.196 -5.326 -2.823 458 2HB ALA 60 2HB ALA 60 17.829 -6.404 -3.100 459 3HB ALA 60 3HB ALA 60 17.555 -4.767 -2.505 460 H ALA 61 H ALA 61 20.349 -3.978 -5.141 461 HA ALA 61 HA ALA 61 19.749 -1.259 -4.290 462 1HB ALA 61 1HB ALA 61 22.157 -0.902 -4.378 463 2HB ALA 61 2HB ALA 61 22.372 -2.517 -5.055 464 3HB ALA 61 3HB ALA 61 21.756 -2.322 -3.414 465 H VAL 62 H VAL 62 19.425 -2.859 -7.106 466 HA VAL 62 HA VAL 62 20.665 -0.945 -8.880 467 HB VAL 62 HB VAL 62 18.726 -3.174 -9.531 468 1HG1 VAL 62 1HG1 VAL 62 19.503 -2.914 -11.837 469 2HG1 VAL 62 2HG1 VAL 62 20.498 -1.543 -11.348 470 3HG1 VAL 62 3HG1 VAL 62 18.741 -1.439 -11.244 471 1HG2 VAL 62 1HG2 VAL 62 20.788 -4.020 -8.563 472 2HG2 VAL 62 2HG2 VAL 62 21.732 -3.079 -9.716 473 3HG2 VAL 62 3HG2 VAL 62 20.711 -4.400 -10.283 474 H SER 63 H SER 63 17.328 -1.931 -8.256 475 HA SER 63 HA SER 63 16.263 0.338 -9.643 476 1HB SER 63 2HB SER 63 14.924 -1.718 -7.884 477 2HB SER 63 1HB SER 63 14.090 -0.535 -8.883 478 HG SER 63 HG SER 63 15.412 -1.528 -10.666 479 H GLU 64 H GLU 64 17.291 -0.282 -6.460 480 HA GLU 64 HA GLU 64 15.585 1.560 -5.103 481 1HB GLU 64 2HB GLU 64 16.985 -0.426 -4.148 482 2HB GLU 64 1HB GLU 64 18.273 0.767 -4.045 483 1HG GLU 64 2HG GLU 64 17.262 0.778 -1.938 484 2HG GLU 64 1HG GLU 64 16.628 2.207 -2.752 485 H ALA 65 H ALA 65 18.310 1.905 -7.077 486 HA ALA 65 HA ALA 65 19.772 3.986 -6.041 487 1HB ALA 65 1HB ALA 65 20.393 4.531 -8.342 488 2HB ALA 65 2HB ALA 65 19.062 3.543 -8.940 489 3HB ALA 65 3HB ALA 65 20.398 2.787 -8.072 490 H GLU 66 H GLU 66 16.647 4.143 -7.628 491 HA GLU 66 HA GLU 66 16.428 6.893 -8.054 492 1HB GLU 66 2HB GLU 66 14.819 5.171 -8.862 493 2HB GLU 66 1HB GLU 66 14.234 4.981 -7.217 494 1HG GLU 66 2HG GLU 66 12.724 6.379 -8.468 495 2HG GLU 66 1HG GLU 66 13.521 7.335 -7.217 496 H GLN 67 H GLN 67 15.694 4.945 -5.197 497 HA GLN 67 HA GLN 67 14.752 7.174 -3.648 498 1HB GLN 67 2HB GLN 67 15.690 4.598 -2.429 499 2HB GLN 67 1HB GLN 67 14.353 5.630 -1.942 500 1HG GLN 67 2HG GLN 67 14.426 3.848 -4.368 501 2HG GLN 67 1HG GLN 67 13.568 3.526 -2.864 502 1HE2 GLN 67 1HE2 GLN 67 12.585 3.753 -5.593 503 2HE2 GLN 67 2HE2 GLN 67 11.393 5.015 -5.577 504 H ILE 68 H ILE 68 17.709 5.351 -4.052 505 HA ILE 68 HA ILE 68 19.171 6.267 -1.865 506 HB ILE 68 HB ILE 68 20.152 5.430 -4.604 507 1HG1 ILE 68 2HG1 ILE 68 20.014 3.931 -1.975 508 2HG1 ILE 68 1HG1 ILE 68 18.904 3.718 -3.323 509 1HG2 ILE 68 1HG2 ILE 68 22.347 5.106 -3.531 510 2HG2 ILE 68 2HG2 ILE 68 21.709 5.822 -2.051 511 3HG2 ILE 68 3HG2 ILE 68 21.839 6.797 -3.512 512 1HD1 ILE 68 1HD1 ILE 68 20.521 1.948 -3.324 513 2HD1 ILE 68 2HD1 ILE 68 21.845 3.114 -3.307 514 3HD1 ILE 68 3HD1 ILE 68 20.797 2.992 -4.720 515 H ARG 69 H ARG 69 19.126 7.554 -5.209 516 HA ARG 69 HA ARG 69 20.948 9.633 -4.633 517 1HB ARG 69 2HB ARG 69 20.224 10.620 -6.780 518 2HB ARG 69 1HB ARG 69 20.660 8.923 -6.903 519 1HG ARG 69 2HG ARG 69 18.269 8.329 -6.898 520 2HG ARG 69 1HG ARG 69 17.864 10.048 -6.832 521 1HD ARG 69 2HD ARG 69 18.896 10.442 -8.949 522 2HD ARG 69 1HD ARG 69 19.562 8.815 -8.989 523 HE ARG 69 HE ARG 69 16.644 9.104 -8.971 524 1HH1 ARG 69 1HH1 ARG 69 19.603 8.304 -10.668 525 2HH1 ARG 69 2HH1 ARG 69 18.789 7.640 -12.055 526 1HH2 ARG 69 1HH2 ARG 69 15.557 8.205 -10.785 527 2HH2 ARG 69 2HH2 ARG 69 16.490 7.595 -12.119 528 H GLN 70 H GLN 70 17.500 9.406 -4.230 529 HA GLN 70 HA GLN 70 16.974 12.184 -4.026 530 1HB GLN 70 2HB GLN 70 15.362 10.204 -4.405 531 2HB GLN 70 1HB GLN 70 15.412 10.009 -2.664 532 1HG GLN 70 2HG GLN 70 14.829 12.721 -3.623 533 2HG GLN 70 1HG GLN 70 13.611 11.500 -3.971 534 1HE2 GLN 70 1HE2 GLN 70 12.134 12.476 -2.592 535 2HE2 GLN 70 2HE2 GLN 70 12.279 12.384 -0.875 536 H LEU 71 H LEU 71 17.434 9.626 -1.621 537 HA LEU 71 HA LEU 71 17.261 11.422 0.607 538 1HB LEU 71 2HB LEU 71 16.543 9.081 0.733 539 2HB LEU 71 1HB LEU 71 18.191 8.556 0.459 540 HG LEU 71 HG LEU 71 18.847 9.648 2.600 541 1HD1 LEU 71 1HD1 LEU 71 15.871 10.005 2.934 542 2HD1 LEU 71 2HD1 LEU 71 17.056 11.295 2.726 543 3HD1 LEU 71 3HD1 LEU 71 17.095 10.290 4.175 544 1HD2 LEU 71 1HD2 LEU 71 17.836 7.937 4.040 545 2HD2 LEU 71 2HD2 LEU 71 18.390 7.264 2.508 546 3HD2 LEU 71 3HD2 LEU 71 16.671 7.564 2.768 547 H LYS 72 H LYS 72 19.827 10.063 -1.295 548 HA LYS 72 HA LYS 72 21.946 10.525 0.540 549 1HB LYS 72 2HB LYS 72 22.184 8.870 -1.179 550 2HB LYS 72 1HB LYS 72 21.880 10.055 -2.437 551 1HG LYS 72 2HG LYS 72 23.994 11.158 -1.904 552 2HG LYS 72 1HG LYS 72 24.298 9.952 -0.648 553 1HD LYS 72 2HD LYS 72 24.326 8.185 -2.293 554 2HD LYS 72 1HD LYS 72 23.877 9.317 -3.569 555 1HE LYS 72 2HE LYS 72 25.986 10.494 -3.291 556 2HE LYS 72 1HE LYS 72 26.425 9.417 -1.963 557 1HZ LYS 72 1HZ LYS 72 25.938 8.545 -4.762 558 2HZ LYS 72 2HZ LYS 72 26.439 7.560 -3.477 559 3HZ LYS 72 3HZ LYS 72 27.470 8.768 -4.069 560 H LYS 73 H LYS 73 20.420 12.494 -1.927 561 HA LYS 73 HA LYS 73 22.642 14.359 -1.916 562 1HB LYS 73 2HB LYS 73 21.608 13.800 -4.062 563 2HB LYS 73 1HB LYS 73 20.067 14.436 -3.499 564 1HG LYS 73 2HG LYS 73 21.348 15.963 -4.988 565 2HG LYS 73 1HG LYS 73 20.926 16.658 -3.420 566 1HD LYS 73 2HD LYS 73 23.215 15.967 -2.622 567 2HD LYS 73 1HD LYS 73 23.596 15.568 -4.297 568 1HE LYS 73 2HE LYS 73 23.297 17.829 -4.979 569 2HE LYS 73 1HE LYS 73 22.643 18.277 -3.405 570 1HZ LYS 73 1HZ LYS 73 24.964 18.957 -3.683 571 2HZ LYS 73 2HZ LYS 73 25.422 17.337 -3.890 572 3HZ LYS 73 3HZ LYS 73 24.782 17.857 -2.407 573 H GLU 74 H GLU 74 19.114 14.956 -1.706 574 HA GLU 74 HA GLU 74 19.822 17.272 -0.033 575 1HB GLU 74 2HB GLU 74 17.644 16.944 -2.092 576 2HB GLU 74 1HB GLU 74 17.705 18.293 -0.965 577 1HG GLU 74 2HG GLU 74 19.842 17.599 -2.969 578 2HG GLU 74 1HG GLU 74 18.622 18.860 -3.161 579 H ASN 75 H ASN 75 19.217 17.112 1.990 580 HA ASN 75 HA ASN 75 17.147 15.348 2.874 581 1HB ASN 75 2HB ASN 75 18.958 17.304 4.180 582 2HB ASN 75 1HB ASN 75 17.449 16.953 5.012 583 1HD2 ASN 75 1HD2 ASN 75 17.042 14.852 5.726 584 2HD2 ASN 75 2HD2 ASN 75 18.327 13.716 5.958 585 H ALA 76 H ALA 76 17.201 18.530 1.642 586 HA ALA 76 HA ALA 76 15.014 19.698 2.925 587 1HB ALA 76 1HB ALA 76 15.931 20.113 0.083 588 2HB ALA 76 2HB ALA 76 16.559 20.949 1.504 589 3HB ALA 76 3HB ALA 76 14.885 21.194 1.004 590 H LEU 77 H LEU 77 15.173 17.208 0.572 591 HA LEU 77 HA LEU 77 12.618 17.470 -0.586 592 1HB LEU 77 2HB LEU 77 14.441 15.083 -0.323 593 2HB LEU 77 1HB LEU 77 13.016 15.144 -1.339 594 HG LEU 77 HG LEU 77 15.431 16.926 -1.651 595 1HD1 LEU 77 1HD1 LEU 77 15.958 14.621 -2.213 596 2HD1 LEU 77 2HD1 LEU 77 15.883 15.613 -3.667 597 3HD1 LEU 77 3HD1 LEU 77 14.544 14.540 -3.266 598 1HD2 LEU 77 1HD2 LEU 77 13.395 18.003 -2.413 599 2HD2 LEU 77 2HD2 LEU 77 12.970 16.581 -3.363 600 3HD2 LEU 77 3HD2 LEU 77 14.387 17.538 -3.793 601 H GLN 78 H GLN 78 13.678 16.165 2.445 602 HA GLN 78 HA GLN 78 11.744 14.182 2.859 603 1HB GLN 78 2HB GLN 78 12.355 14.227 5.160 604 2HB GLN 78 1HB GLN 78 13.809 14.570 4.238 605 1HG GLN 78 2HG GLN 78 13.410 17.000 4.681 606 2HG GLN 78 1HG GLN 78 12.118 16.520 5.780 607 1HE2 GLN 78 1HE2 GLN 78 13.128 17.376 7.586 608 2HE2 GLN 78 2HE2 GLN 78 14.552 16.670 8.276 609 H ARG 79 H ARG 79 11.513 17.655 3.133 610 HA ARG 79 HA ARG 79 9.136 17.621 4.742 611 1HB ARG 79 2HB ARG 79 10.517 19.814 3.207 612 2HB ARG 79 1HB ARG 79 9.042 20.074 4.127 613 1HG ARG 79 2HG ARG 79 10.243 19.256 6.151 614 2HG ARG 79 1HG ARG 79 11.720 19.195 5.186 615 1HD ARG 79 2HD ARG 79 11.626 21.255 6.462 616 2HD ARG 79 1HD ARG 79 11.513 21.592 4.735 617 HE ARG 79 HE ARG 79 8.911 21.374 5.733 618 1HH1 ARG 79 1HH1 ARG 79 11.708 23.466 6.080 619 2HH1 ARG 79 2HH1 ARG 79 10.758 24.881 6.421 620 1HH2 ARG 79 1HH2 ARG 79 7.663 23.238 6.199 621 2HH2 ARG 79 2HH2 ARG 79 8.470 24.754 6.511 622 H ALA 80 H ALA 80 9.776 17.146 1.470 623 HA ALA 80 HA ALA 80 7.265 18.134 0.470 624 1HB ALA 80 1HB ALA 80 9.293 18.091 -0.928 625 2HB ALA 80 2HB ALA 80 7.945 17.219 -1.659 626 3HB ALA 80 3HB ALA 80 9.260 16.328 -0.890 627 H ARG 81 H ARG 81 8.395 15.260 1.943 628 HA ARG 81 HA ARG 81 6.474 13.436 0.891 629 1HB ARG 81 2HB ARG 81 8.050 13.383 3.464 630 2HB ARG 81 1HB ARG 81 7.046 12.066 2.899 631 1HG ARG 81 2HG ARG 81 8.496 12.073 0.806 632 2HG ARG 81 1HG ARG 81 9.593 13.110 1.720 633 1HD ARG 81 2HD ARG 81 10.397 10.913 2.026 634 2HD ARG 81 1HD ARG 81 9.555 11.320 3.520 635 HE ARG 81 HE ARG 81 8.065 9.861 1.466 636 1HH1 ARG 81 1HH1 ARG 81 9.613 9.869 4.615 637 2HH1 ARG 81 2HH1 ARG 81 9.016 8.290 5.049 638 1HH2 ARG 81 1HH2 ARG 81 7.247 7.818 2.056 639 2HH2 ARG 81 2HH2 ARG 81 7.628 7.144 3.607 640 H THR 82 H THR 82 6.377 15.910 3.206 641 HA THR 82 HA THR 82 4.252 14.963 4.830 642 HB THR 82 HB THR 82 4.940 17.871 4.445 643 HG1 THR 82 1HG THR 82 6.406 15.812 5.731 644 1HG2 THR 82 1HG2 THR 82 4.073 16.261 6.852 645 2HG2 THR 82 2HG2 THR 82 3.037 17.326 5.903 646 3HG2 THR 82 3HG2 THR 82 4.380 17.999 6.826 647 H ARG 83 H ARG 83 4.294 16.161 1.661 648 HA ARG 83 HA ARG 83 1.761 17.511 1.700 649 1HB ARG 83 2HB ARG 83 3.743 17.683 -0.035 650 2HB ARG 83 1HB ARG 83 2.904 16.344 -0.809 651 1HG ARG 83 2HG ARG 83 0.832 17.994 -0.456 652 2HG ARG 83 1HG ARG 83 2.127 19.185 -0.562 653 1HD ARG 83 2HD ARG 83 1.458 18.957 -2.771 654 2HD ARG 83 1HD ARG 83 2.843 17.873 -2.670 655 HE ARG 83 HE ARG 83 0.722 16.264 -2.102 656 1HH1 ARG 83 1HH1 ARG 83 1.529 18.367 -4.792 657 2HH1 ARG 83 2HH1 ARG 83 0.576 17.474 -5.937 658 1HH2 ARG 83 1HH2 ARG 83 -0.552 15.114 -3.593 659 2HH2 ARG 83 2HH2 ARG 83 -0.627 15.642 -5.251 660 H HIS 84 H HIS 84 -0.220 16.740 0.947 661 HA HIS 84 HA HIS 84 -0.772 14.007 1.460 662 1HB HIS 84 2HB HIS 84 -2.408 16.167 0.112 663 2HB HIS 84 1HB HIS 84 -3.028 14.550 0.436 664 HD1 HIS 84 1HD HIS 84 -4.843 15.846 1.918 665 HD2 HIS 84 2HD HIS 84 -0.926 15.961 3.327 666 HE1 HIS 84 1HE HIS 84 -4.999 16.587 4.319 667 HE2 HIS 84 2HE HIS 84 -2.644 16.434 5.204 668 HA PRO 85 HA PRO 85 0.468 12.261 -2.395 669 1HB PRO 85 2HB PRO 85 -0.939 9.931 -2.294 670 2HB PRO 85 1HB PRO 85 0.519 10.224 -1.340 671 1HG PRO 85 2HG PRO 85 -2.352 10.413 -0.520 672 2HG PRO 85 1HG PRO 85 -0.978 9.723 0.364 673 1HD PRO 85 2HD PRO 85 -1.958 12.188 0.898 674 2HD PRO 85 1HD PRO 85 -0.239 11.790 1.080 675 H ALA 86 H ALA 86 -0.574 11.193 -4.367 676 HA ALA 86 HA ALA 86 -3.058 12.646 -4.970 677 1HB ALA 86 1HB ALA 86 -2.349 12.678 -7.295 678 2HB ALA 86 2HB ALA 86 -0.901 11.761 -6.883 679 3HB ALA 86 3HB ALA 86 -1.115 13.398 -6.263 680 H GLU 87 H GLU 87 -4.508 11.086 -4.363 681 HA GLU 87 HA GLU 87 -4.305 8.381 -5.275 682 1HB GLU 87 2HB GLU 87 -6.634 8.193 -4.343 683 2HB GLU 87 1HB GLU 87 -5.411 8.724 -3.196 684 1HG GLU 87 2HG GLU 87 -6.170 10.986 -3.339 685 2HG GLU 87 1HG GLU 87 -7.256 10.591 -4.672 686 H SER 88 H SER 88 -5.641 11.304 -6.512 687 HA SER 88 HA SER 88 -7.641 10.344 -8.207 688 1HB SER 88 2HB SER 88 -5.791 12.685 -8.705 689 2HB SER 88 1HB SER 88 -7.392 12.440 -9.406 690 HG SER 88 HG SER 88 -7.925 13.642 -7.737 691 H CYS 89 H CYS 89 -4.214 10.094 -8.438 692 HA CYS 89 HA CYS 89 -3.870 10.016 -11.204 693 1HB CYS 89 2HB CYS 89 -2.260 8.717 -9.012 694 2HB CYS 89 1HB CYS 89 -1.738 8.833 -10.690 695 HG CYS 89 HG CYS 89 -1.195 11.428 -10.735 696 H LEU 90 H LEU 90 -5.162 7.608 -9.077 697 HA LEU 90 HA LEU 90 -4.553 5.405 -10.807 698 1HB LEU 90 2HB LEU 90 -5.996 4.070 -9.342 699 2HB LEU 90 1HB LEU 90 -4.778 4.960 -8.460 700 HG LEU 90 HG LEU 90 -6.692 6.681 -8.042 701 1HD1 LEU 90 1HD1 LEU 90 -8.303 4.201 -8.616 702 2HD1 LEU 90 2HD1 LEU 90 -8.299 5.670 -9.590 703 3HD1 LEU 90 3HD1 LEU 90 -8.909 5.712 -7.936 704 1HD2 LEU 90 1HD2 LEU 90 -7.363 5.433 -6.037 705 2HD2 LEU 90 2HD2 LEU 90 -5.621 5.373 -6.306 706 3HD2 LEU 90 3HD2 LEU 90 -6.623 3.978 -6.708 707 H GLU 91 H GLU 91 -6.952 7.812 -10.764 708 HA GLU 91 HA GLU 91 -8.945 6.278 -12.193 709 1HB GLU 91 2HB GLU 91 -9.318 8.296 -10.588 710 2HB GLU 91 1HB GLU 91 -8.891 9.286 -11.975 711 1HG GLU 91 2HG GLU 91 -11.159 7.309 -11.878 712 2HG GLU 91 1HG GLU 91 -11.312 9.051 -11.679 713 H HIS 92 H HIS 92 -6.760 8.980 -12.911 714 HA HIS 92 HA HIS 92 -7.387 8.844 -15.735 715 1HB HIS 92 2HB HIS 92 -6.005 10.742 -13.947 716 2HB HIS 92 1HB HIS 92 -5.382 10.661 -15.589 717 HD1 HIS 92 1HD HIS 92 -6.661 11.845 -17.368 718 HD2 HIS 92 2HD HIS 92 -8.783 11.552 -13.802 719 HE1 HIS 92 1HE HIS 92 -8.694 13.303 -17.663 720 HE2 HIS 92 2HE HIS 92 -9.861 13.258 -15.427 721 H HIS 93 H HIS 93 -5.820 6.699 -14.270 722 HA HIS 93 HA HIS 93 -3.208 6.906 -15.549 723 1HB HIS 93 2HB HIS 93 -3.526 6.120 -13.146 724 2HB HIS 93 1HB HIS 93 -4.186 4.634 -13.818 725 HD1 HIS 93 1HD HIS 93 -2.336 3.048 -13.140 726 HD2 HIS 93 2HD HIS 93 -0.934 6.402 -15.173 727 HE1 HIS 93 1HE HIS 93 0.101 2.605 -13.595 728 HE2 HIS 93 2HE HIS 93 0.877 4.561 -14.982 729 H HIS 94 H HIS 94 -3.710 6.642 -17.704 730 HA HIS 94 HA HIS 94 -4.649 3.951 -18.459 731 1HB HIS 94 2HB HIS 94 -6.013 6.006 -19.209 732 2HB HIS 94 1HB HIS 94 -4.664 6.355 -20.286 733 HD1 HIS 94 1HD HIS 94 -5.181 5.581 -22.583 734 HD2 HIS 94 2HD HIS 94 -6.776 3.043 -19.692 735 HE1 HIS 94 1HE HIS 94 -6.341 3.740 -23.851 736 HE2 HIS 94 2HE HIS 94 -7.452 2.325 -22.084 737 H HIS 95 H HIS 95 -3.540 2.952 -20.271 738 HA HIS 95 HA HIS 95 -0.779 2.985 -20.018 739 1HB HIS 95 2HB HIS 95 -2.126 1.101 -20.934 740 2HB HIS 95 1HB HIS 95 -2.354 2.021 -22.417 741 HD1 HIS 95 1HD HIS 95 -1.165 -0.503 -23.048 742 HD2 HIS 95 2HD HIS 95 1.225 2.590 -21.610 743 HE1 HIS 95 1HE HIS 95 1.179 -1.053 -23.778 744 HE2 HIS 95 2HE HIS 95 2.615 0.832 -22.907 745 H HIS 96 H HIS 96 0.560 4.585 -20.490 746 HA HIS 96 HA HIS 96 0.777 5.523 -23.197 747 1HB HIS 96 2HB HIS 96 -0.936 7.083 -22.348 748 2HB HIS 96 1HB HIS 96 0.130 7.530 -21.019 749 HD1 HIS 96 1HD HIS 96 1.943 9.254 -21.493 750 HD2 HIS 96 2HD HIS 96 -0.111 8.050 -24.909 751 HE1 HIS 96 1HE HIS 96 2.662 10.836 -23.311 752 HE2 HIS 96 2HE HIS 96 1.268 10.207 -25.315 753 H HIS 97 H HIS 97 2.899 5.580 -23.590 754 HA HIS 97 HA HIS 97 4.703 5.945 -21.307 755 1HB HIS 97 2HB HIS 97 6.501 5.130 -22.895 756 2HB HIS 97 1HB HIS 97 5.278 3.953 -22.448 757 HD1 HIS 97 1HD HIS 97 6.587 5.901 -25.350 758 HD2 HIS 97 2HD HIS 97 3.668 3.058 -24.547 759 HE1 HIS 97 1HE HIS 97 5.821 5.065 -27.595 760 HE2 HIS 97 2HE HIS 97 3.898 3.519 -27.078 Start of MODEL 2 1 1H MET 1 1HT MET 1 7.663 12.153 -17.530 2 2H MET 1 2HT MET 1 9.133 11.491 -18.052 3 3H MET 1 3HT MET 1 9.125 12.843 -17.032 4 HA MET 1 HA MET 1 8.106 10.162 -16.313 5 1HB MET 1 2HB MET 1 10.665 11.582 -15.553 6 2HB MET 1 1HB MET 1 10.075 10.123 -14.771 7 1HG MET 1 2HG MET 1 10.227 8.926 -16.895 8 2HG MET 1 1HG MET 1 10.822 10.387 -17.674 9 1HE MET 1 1HE MET 1 12.963 9.086 -18.591 10 2HE MET 1 2HE MET 1 12.309 7.617 -17.859 11 3HE MET 1 3HE MET 1 13.987 8.076 -17.566 12 HA PRO 2 HA PRO 2 5.964 12.804 -13.396 13 1HB PRO 2 2HB PRO 2 4.455 10.859 -12.280 14 2HB PRO 2 1HB PRO 2 4.089 11.549 -13.865 15 1HG PRO 2 2HG PRO 2 5.455 8.977 -13.189 16 2HG PRO 2 1HG PRO 2 4.257 9.311 -14.451 17 1HD PRO 2 2HD PRO 2 6.941 9.136 -14.924 18 2HD PRO 2 1HD PRO 2 5.834 10.116 -15.905 19 H THR 3 H THR 3 6.183 13.240 -11.215 20 HA THR 3 HA THR 3 8.199 11.678 -9.805 21 HB THR 3 HB THR 3 7.936 13.613 -8.113 22 HG1 THR 3 1HG THR 3 6.389 14.956 -8.627 23 1HG2 THR 3 1HG2 THR 3 9.877 13.370 -9.570 24 2HG2 THR 3 2HG2 THR 3 9.408 15.067 -9.454 25 3HG2 THR 3 3HG2 THR 3 8.995 14.134 -10.892 26 H LYS 4 H LYS 4 7.468 10.016 -8.680 27 HA LYS 4 HA LYS 4 5.266 10.401 -6.822 28 1HB LYS 4 2HB LYS 4 4.225 9.517 -8.895 29 2HB LYS 4 1HB LYS 4 5.299 8.128 -8.822 30 1HG LYS 4 2HG LYS 4 3.177 7.474 -7.972 31 2HG LYS 4 1HG LYS 4 4.304 7.555 -6.616 32 1HD LYS 4 2HD LYS 4 3.432 9.804 -6.069 33 2HD LYS 4 1HD LYS 4 2.257 9.638 -7.379 34 1HE LYS 4 2HE LYS 4 1.102 9.051 -5.411 35 2HE LYS 4 1HE LYS 4 1.469 7.531 -6.220 36 1HZ LYS 4 1HZ LYS 4 1.991 7.184 -3.987 37 2HZ LYS 4 2HZ LYS 4 2.751 8.690 -3.821 38 3HZ LYS 4 3HZ LYS 4 3.498 7.462 -4.716 39 H THR 5 H THR 5 6.215 9.913 -4.968 40 HA THR 5 HA THR 5 8.312 7.910 -4.841 41 HB THR 5 HB THR 5 7.177 9.215 -2.404 42 HG1 THR 5 1HG THR 5 8.987 10.534 -4.183 43 1HG2 THR 5 1HG2 THR 5 9.039 7.645 -2.181 44 2HG2 THR 5 2HG2 THR 5 9.550 9.278 -1.752 45 3HG2 THR 5 3HG2 THR 5 9.991 8.599 -3.320 46 H TYR 6 H TYR 6 8.238 6.131 -3.354 47 HA TYR 6 HA TYR 6 5.631 5.381 -2.278 48 1HB TYR 6 2HB TYR 6 7.113 3.918 -4.397 49 2HB TYR 6 1HB TYR 6 6.407 2.944 -3.113 50 HD1 TYR 6 1HD TYR 6 5.742 4.938 -6.074 51 HD2 TYR 6 2HD TYR 6 3.957 2.978 -2.743 52 HE1 TYR 6 1HE TYR 6 3.550 5.036 -7.191 53 HE2 TYR 6 2HE TYR 6 1.770 3.072 -3.853 54 HH TYR 6 HH TYR 6 1.390 3.879 -7.127 55 H SER 7 H SER 7 5.788 4.622 -0.289 56 HA SER 7 HA SER 7 8.291 4.508 1.028 57 1HB SER 7 2HB SER 7 6.863 3.640 2.955 58 2HB SER 7 1HB SER 7 6.427 5.221 2.313 59 HG SER 7 HG SER 7 4.562 4.011 2.545 60 H GLU 8 H GLU 8 9.432 2.781 1.846 61 HA GLU 8 HA GLU 8 9.527 0.445 0.303 62 1HB GLU 8 2HB GLU 8 10.564 0.861 3.113 63 2HB GLU 8 1HB GLU 8 11.051 -0.424 2.019 64 1HG GLU 8 2HG GLU 8 12.007 1.214 0.497 65 2HG GLU 8 1HG GLU 8 11.497 2.519 1.570 66 H GLU 9 H GLU 9 7.975 1.154 3.365 67 HA GLU 9 HA GLU 9 7.330 -1.382 4.226 68 1HB GLU 9 2HB GLU 9 5.614 1.075 4.558 69 2HB GLU 9 1HB GLU 9 5.721 -0.309 5.624 70 1HG GLU 9 2HG GLU 9 7.833 1.759 5.134 71 2HG GLU 9 1HG GLU 9 6.904 1.512 6.611 72 H PHE 10 H PHE 10 5.565 0.765 2.038 73 HA PHE 10 HA PHE 10 3.263 -0.879 1.787 74 1HB PHE 10 2HB PHE 10 3.263 1.535 1.253 75 2HB PHE 10 1HB PHE 10 4.348 1.234 -0.097 76 HD1 PHE 10 1HD PHE 10 0.949 0.641 1.193 77 HD2 PHE 10 2HD PHE 10 3.530 0.511 -2.184 78 HE1 PHE 10 1HE PHE 10 -0.995 0.293 -0.273 79 HE2 PHE 10 2HE PHE 10 1.593 0.162 -3.656 80 HZ PHE 10 HZ PHE 10 -0.674 0.052 -2.703 81 H LYS 11 H LYS 11 6.190 -0.456 -0.128 82 HA LYS 11 HA LYS 11 5.479 -2.220 -2.219 83 1HB LYS 11 2HB LYS 11 8.230 -1.362 -1.288 84 2HB LYS 11 1HB LYS 11 7.843 -2.068 -2.853 85 1HG LYS 11 2HG LYS 11 6.653 -0.160 -3.544 86 2HG LYS 11 1HG LYS 11 6.585 0.486 -1.904 87 1HD LYS 11 2HD LYS 11 8.208 1.747 -3.113 88 2HD LYS 11 1HD LYS 11 9.069 0.712 -1.981 89 1HE LYS 11 2HE LYS 11 9.523 -0.875 -3.781 90 2HE LYS 11 1HE LYS 11 8.670 0.170 -4.911 91 1HZ LYS 11 1HZ LYS 11 10.291 1.872 -4.601 92 2HZ LYS 11 2HZ LYS 11 11.121 0.432 -4.951 93 3HZ LYS 11 3HZ LYS 11 11.053 1.008 -3.357 94 H ARG 12 H ARG 12 7.204 -2.654 0.821 95 HA ARG 12 HA ARG 12 8.008 -5.336 0.379 96 1HB ARG 12 2HB ARG 12 7.590 -3.747 2.909 97 2HB ARG 12 1HB ARG 12 8.217 -5.389 2.899 98 1HG ARG 12 2HG ARG 12 10.132 -4.688 1.604 99 2HG ARG 12 1HG ARG 12 9.490 -3.046 1.502 100 1HD ARG 12 2HD ARG 12 9.613 -2.864 3.947 101 2HD ARG 12 1HD ARG 12 10.282 -4.494 4.024 102 HE ARG 12 HE ARG 12 11.977 -3.194 2.357 103 1HH1 ARG 12 1HH1 ARG 12 10.768 -2.523 5.573 104 2HH1 ARG 12 2HH1 ARG 12 12.215 -1.704 6.079 105 1HH2 ARG 12 1HH2 ARG 12 13.876 -2.093 3.013 106 2HH2 ARG 12 2HH2 ARG 12 13.963 -1.444 4.620 107 H ASP 13 H ASP 13 5.114 -3.884 1.765 108 HA ASP 13 HA ASP 13 3.999 -6.262 2.811 109 1HB ASP 13 2HB ASP 13 3.290 -3.863 3.314 110 2HB ASP 13 1HB ASP 13 2.423 -3.900 1.784 111 H ALA 14 H ALA 14 3.816 -4.687 -0.323 112 HA ALA 14 HA ALA 14 1.917 -6.381 -1.523 113 1HB ALA 14 1HB ALA 14 2.566 -4.229 -2.478 114 2HB ALA 14 2HB ALA 14 2.789 -5.534 -3.647 115 3HB ALA 14 3HB ALA 14 4.182 -4.856 -2.805 116 H VAL 15 H VAL 15 5.409 -6.655 -1.119 117 HA VAL 15 HA VAL 15 5.763 -8.922 -2.785 118 HB VAL 15 HB VAL 15 7.422 -8.145 -0.370 119 1HG1 VAL 15 1HG1 VAL 15 8.075 -9.858 -2.760 120 2HG1 VAL 15 2HG1 VAL 15 7.854 -10.415 -1.102 121 3HG1 VAL 15 3HG1 VAL 15 9.217 -9.372 -1.509 122 1HG2 VAL 15 1HG2 VAL 15 7.652 -7.322 -3.256 123 2HG2 VAL 15 2HG2 VAL 15 8.901 -7.058 -2.041 124 3HG2 VAL 15 3HG2 VAL 15 7.327 -6.280 -1.871 125 H ALA 16 H ALA 16 4.878 -8.496 0.588 126 HA ALA 16 HA ALA 16 5.024 -11.217 1.363 127 1HB ALA 16 1HB ALA 16 4.947 -9.354 2.979 128 2HB ALA 16 2HB ALA 16 3.703 -10.563 3.292 129 3HB ALA 16 3HB ALA 16 3.273 -9.041 2.517 130 H LEU 17 H LEU 17 2.496 -9.254 -0.103 131 HA LEU 17 HA LEU 17 0.408 -11.133 0.008 132 1HB LEU 17 2HB LEU 17 0.967 -8.643 -1.398 133 2HB LEU 17 1HB LEU 17 0.043 -9.757 -2.377 134 HG LEU 17 HG LEU 17 -1.510 -8.332 -1.276 135 1HD1 LEU 17 1HD1 LEU 17 -2.819 -9.898 0.061 136 2HD1 LEU 17 2HD1 LEU 17 -1.422 -10.964 0.191 137 3HD1 LEU 17 3HD1 LEU 17 -2.167 -10.678 -1.382 138 1HD2 LEU 17 1HD2 LEU 17 -0.155 -9.062 1.316 139 2HD2 LEU 17 2HD2 LEU 17 -1.586 -8.042 1.139 140 3HD2 LEU 17 3HD2 LEU 17 -0.035 -7.509 0.487 141 H TYR 18 H TYR 18 3.051 -10.675 -2.266 142 HA TYR 18 HA TYR 18 2.237 -12.544 -4.206 143 1HB TYR 18 2HB TYR 18 3.952 -10.973 -4.759 144 2HB TYR 18 1HB TYR 18 4.962 -11.510 -3.422 145 HD1 TYR 18 1HD TYR 18 6.506 -13.250 -3.706 146 HD2 TYR 18 2HD TYR 18 3.572 -12.565 -6.710 147 HE1 TYR 18 1HE TYR 18 7.671 -14.820 -5.188 148 HE2 TYR 18 2HE TYR 18 4.734 -14.143 -8.205 149 HH TYR 18 HH TYR 18 6.948 -15.115 -8.521 150 H GLU 19 H GLU 19 4.173 -12.892 -1.273 151 HA GLU 19 HA GLU 19 4.820 -15.617 -1.636 152 1HB GLU 19 2HB GLU 19 4.576 -13.938 0.861 153 2HB GLU 19 1HB GLU 19 5.178 -15.589 0.857 154 1HG GLU 19 2HG GLU 19 6.410 -13.324 -0.698 155 2HG GLU 19 1HG GLU 19 6.952 -13.868 0.890 156 H ASN 20 H ASN 20 2.015 -13.979 -0.359 157 HA ASN 20 HA ASN 20 0.805 -16.492 0.525 158 1HB ASN 20 2HB ASN 20 0.067 -13.586 0.882 159 2HB ASN 20 1HB ASN 20 -1.046 -14.882 1.297 160 1HD2 ASN 20 1HD2 ASN 20 1.995 -13.353 2.061 161 2HD2 ASN 20 2HD2 ASN 20 2.183 -14.065 3.633 162 H SER 21 H SER 21 1.230 -16.256 -2.205 163 HA SER 21 HA SER 21 -1.106 -15.262 -3.539 164 1HB SER 21 2HB SER 21 0.006 -16.293 -5.554 165 2HB SER 21 1HB SER 21 0.960 -15.087 -4.693 166 HG SER 21 HG SER 21 2.387 -16.545 -4.232 167 H ASP 22 H ASP 22 -0.367 -18.121 -1.944 168 HA ASP 22 HA ASP 22 -1.430 -20.189 -3.389 169 1HB ASP 22 2HB ASP 22 -1.950 -19.741 -0.446 170 2HB ASP 22 1HB ASP 22 -1.999 -21.282 -1.292 171 H GLY 23 H GLY 23 -3.221 -17.872 -1.424 172 1HA GLY 23 2HA GLY 23 -5.715 -18.878 -2.620 173 2HA GLY 23 1HA GLY 23 -5.609 -17.977 -1.119 174 H ALA 24 H ALA 24 -3.531 -16.450 -3.154 175 HA ALA 24 HA ALA 24 -5.616 -14.639 -4.154 176 1HB ALA 24 1HB ALA 24 -3.096 -13.771 -2.740 177 2HB ALA 24 2HB ALA 24 -4.724 -13.725 -2.062 178 3HB ALA 24 3HB ALA 24 -4.318 -12.709 -3.445 179 H SER 25 H SER 25 -5.424 -14.503 -6.268 180 HA SER 25 HA SER 25 -3.282 -15.507 -7.762 181 1HB SER 25 2HB SER 25 -5.348 -13.490 -8.668 182 2HB SER 25 1HB SER 25 -4.438 -14.605 -9.689 183 HG SER 25 HG SER 25 -5.489 -16.329 -8.583 184 H LEU 26 H LEU 26 -1.661 -14.512 -8.953 185 HA LEU 26 HA LEU 26 -0.300 -12.371 -7.769 186 1HB LEU 26 2HB LEU 26 0.377 -14.237 -9.558 187 2HB LEU 26 1HB LEU 26 0.077 -12.922 -10.675 188 HG LEU 26 HG LEU 26 2.046 -12.777 -8.386 189 1HD1 LEU 26 1HD1 LEU 26 2.531 -13.285 -11.317 190 2HD1 LEU 26 2HD1 LEU 26 2.753 -14.445 -10.007 191 3HD1 LEU 26 3HD1 LEU 26 3.777 -13.012 -10.099 192 1HD2 LEU 26 1HD2 LEU 26 2.885 -10.801 -9.553 193 2HD2 LEU 26 2HD2 LEU 26 1.193 -10.600 -9.095 194 3HD2 LEU 26 3HD2 LEU 26 1.616 -10.973 -10.765 195 H GLN 27 H GLN 27 -2.435 -12.482 -10.600 196 HA GLN 27 HA GLN 27 -2.382 -9.782 -11.315 197 1HB GLN 27 2HB GLN 27 -3.502 -11.377 -12.723 198 2HB GLN 27 1HB GLN 27 -4.624 -11.805 -11.438 199 1HG GLN 27 2HG GLN 27 -5.797 -10.425 -12.983 200 2HG GLN 27 1HG GLN 27 -5.509 -9.475 -11.533 201 1HE2 GLN 27 1HE2 GLN 27 -4.117 -7.738 -11.609 202 2HE2 GLN 27 2HE2 GLN 27 -3.546 -7.069 -13.100 203 H GLN 28 H GLN 28 -4.402 -11.467 -8.949 204 HA GLN 28 HA GLN 28 -6.062 -9.299 -8.303 205 1HB GLN 28 2HB GLN 28 -6.566 -11.674 -7.796 206 2HB GLN 28 1HB GLN 28 -5.328 -11.646 -6.550 207 1HG GLN 28 2HG GLN 28 -7.518 -11.397 -5.570 208 2HG GLN 28 1HG GLN 28 -6.577 -9.921 -5.350 209 1HE2 GLN 28 1HE2 GLN 28 -9.296 -11.381 -6.924 210 2HE2 GLN 28 2HE2 GLN 28 -9.995 -9.917 -7.529 211 H ILE 29 H ILE 29 -2.929 -10.277 -7.086 212 HA ILE 29 HA ILE 29 -2.811 -8.725 -4.766 213 HB ILE 29 HB ILE 29 -0.502 -9.250 -6.651 214 1HG1 ILE 29 2HG1 ILE 29 -1.575 -11.367 -6.119 215 2HG1 ILE 29 1HG1 ILE 29 -0.054 -11.248 -5.245 216 1HG2 ILE 29 1HG2 ILE 29 -0.575 -8.676 -3.692 217 2HG2 ILE 29 2HG2 ILE 29 -0.017 -7.580 -4.959 218 3HG2 ILE 29 3HG2 ILE 29 0.872 -9.070 -4.623 219 1HD1 ILE 29 1HD1 ILE 29 -1.746 -12.193 -3.827 220 2HD1 ILE 29 2HD1 ILE 29 -2.805 -10.811 -4.111 221 3HD1 ILE 29 3HD1 ILE 29 -1.297 -10.598 -3.224 222 H ALA 30 H ALA 30 -1.633 -7.898 -8.032 223 HA ALA 30 HA ALA 30 -1.122 -5.172 -7.370 224 1HB ALA 30 1HB ALA 30 -0.741 -4.872 -9.756 225 2HB ALA 30 2HB ALA 30 -1.435 -6.462 -10.077 226 3HB ALA 30 3HB ALA 30 0.075 -6.325 -9.171 227 H ASN 31 H ASN 31 -3.821 -6.928 -8.697 228 HA ASN 31 HA ASN 31 -5.275 -4.723 -9.708 229 1HB ASN 31 2HB ASN 31 -5.619 -7.083 -10.401 230 2HB ASN 31 1HB ASN 31 -6.296 -7.426 -8.815 231 1HD2 ASN 31 1HD2 ASN 31 -8.208 -8.095 -9.722 232 2HD2 ASN 31 2HD2 ASN 31 -9.362 -6.985 -10.371 233 H ASP 32 H ASP 32 -5.070 -6.230 -6.564 234 HA ASP 32 HA ASP 32 -7.357 -4.921 -5.453 235 1HB ASP 32 2HB ASP 32 -6.305 -7.021 -4.518 236 2HB ASP 32 1HB ASP 32 -4.968 -6.026 -3.954 237 H LEU 33 H LEU 33 -3.880 -4.300 -5.469 238 HA LEU 33 HA LEU 33 -4.091 -1.974 -3.805 239 1HB LEU 33 2HB LEU 33 -1.885 -3.310 -5.307 240 2HB LEU 33 1HB LEU 33 -1.658 -1.670 -4.741 241 HG LEU 33 HG LEU 33 -2.084 -2.419 -2.427 242 1HD1 LEU 33 1HD1 LEU 33 -3.500 -4.339 -2.864 243 2HD1 LEU 33 2HD1 LEU 33 -2.091 -4.807 -1.909 244 3HD1 LEU 33 3HD1 LEU 33 -2.152 -5.178 -3.633 245 1HD2 LEU 33 1HD2 LEU 33 0.189 -2.278 -3.265 246 2HD2 LEU 33 2HD2 LEU 33 0.084 -3.933 -3.863 247 3HD2 LEU 33 3HD2 LEU 33 0.020 -3.617 -2.128 248 H GLY 34 H GLY 34 -4.511 -2.584 -7.127 249 1HA GLY 34 2HA GLY 34 -5.269 -1.126 -8.760 250 2HA GLY 34 1HA GLY 34 -5.085 0.199 -7.616 251 H ILE 35 H ILE 35 -2.637 -2.120 -8.658 252 HA ILE 35 HA ILE 35 -1.178 0.081 -9.956 253 HB ILE 35 HB ILE 35 0.931 -0.927 -9.108 254 1HG1 ILE 35 2HG1 ILE 35 -0.914 -2.510 -7.307 255 2HG1 ILE 35 1HG1 ILE 35 0.042 -3.181 -8.624 256 1HG2 ILE 35 1HG2 ILE 35 0.078 1.035 -8.030 257 2HG2 ILE 35 2HG2 ILE 35 0.718 -0.053 -6.796 258 3HG2 ILE 35 3HG2 ILE 35 -1.024 0.069 -7.051 259 1HD1 ILE 35 1HD1 ILE 35 2.087 -2.578 -7.468 260 2HD1 ILE 35 2HD1 ILE 35 1.062 -3.581 -6.443 261 3HD1 ILE 35 3HD1 ILE 35 1.153 -1.842 -6.167 262 H ASN 36 H ASN 36 0.624 -0.796 -11.357 263 HA ASN 36 HA ASN 36 -0.364 -2.732 -13.171 264 1HB ASN 36 2HB ASN 36 1.028 -0.898 -13.915 265 2HB ASN 36 1HB ASN 36 2.327 -1.392 -12.848 266 1HD2 ASN 36 1HD2 ASN 36 3.767 -1.509 -14.497 267 2HD2 ASN 36 2HD2 ASN 36 3.730 -2.757 -15.684 268 H ARG 37 H ARG 37 0.327 -4.847 -13.527 269 HA ARG 37 HA ARG 37 1.151 -6.247 -11.188 270 1HB ARG 37 2HB ARG 37 -0.426 -7.194 -12.836 271 2HB ARG 37 1HB ARG 37 0.874 -7.280 -14.017 272 1HG ARG 37 2HG ARG 37 2.026 -8.925 -12.775 273 2HG ARG 37 1HG ARG 37 1.003 -8.674 -11.361 274 1HD ARG 37 2HD ARG 37 0.367 -10.719 -12.485 275 2HD ARG 37 1HD ARG 37 -0.924 -9.531 -12.626 276 HE ARG 37 HE ARG 37 0.423 -9.172 -14.928 277 1HH1 ARG 37 1HH1 ARG 37 -0.808 -12.038 -13.334 278 2HH1 ARG 37 2HH1 ARG 37 -1.067 -12.920 -14.809 279 1HH2 ARG 37 1HH2 ARG 37 0.086 -10.309 -16.877 280 2HH2 ARG 37 2HH2 ARG 37 -0.544 -11.932 -16.836 281 H VAL 38 H VAL 38 2.743 -5.173 -14.108 282 HA VAL 38 HA VAL 38 5.163 -6.618 -13.698 283 HB VAL 38 HB VAL 38 4.855 -4.001 -15.177 284 1HG1 VAL 38 1HG1 VAL 38 7.161 -4.572 -14.794 285 2HG1 VAL 38 2HG1 VAL 38 6.777 -4.847 -16.493 286 3HG1 VAL 38 3HG1 VAL 38 6.890 -6.211 -15.382 287 1HG2 VAL 38 1HG2 VAL 38 4.479 -6.815 -16.198 288 2HG2 VAL 38 2HG2 VAL 38 4.534 -5.366 -17.203 289 3HG2 VAL 38 3HG2 VAL 38 3.226 -5.582 -16.039 290 H THR 39 H THR 39 4.049 -3.369 -12.830 291 HA THR 39 HA THR 39 6.421 -2.502 -11.590 292 HB THR 39 HB THR 39 3.595 -1.702 -10.861 293 HG1 THR 39 1HG THR 39 5.198 -0.275 -12.691 294 1HG2 THR 39 1HG2 THR 39 5.314 -0.904 -9.300 295 2HG2 THR 39 2HG2 THR 39 4.624 0.429 -10.226 296 3HG2 THR 39 3HG2 THR 39 6.216 -0.207 -10.646 297 H LEU 40 H LEU 40 3.654 -4.345 -10.411 298 HA LEU 40 HA LEU 40 4.348 -4.501 -7.701 299 1HB LEU 40 2HB LEU 40 2.186 -5.245 -8.512 300 2HB LEU 40 1HB LEU 40 2.941 -6.496 -9.482 301 HG LEU 40 HG LEU 40 3.768 -7.514 -7.320 302 1HD1 LEU 40 1HD1 LEU 40 3.500 -5.527 -5.913 303 2HD1 LEU 40 2HD1 LEU 40 2.598 -6.903 -5.275 304 3HD1 LEU 40 3HD1 LEU 40 1.752 -5.613 -6.131 305 1HD2 LEU 40 1HD2 LEU 40 1.881 -8.416 -8.584 306 2HD2 LEU 40 2HD2 LEU 40 0.788 -7.320 -7.736 307 3HD2 LEU 40 3HD2 LEU 40 1.632 -8.587 -6.846 308 H LYS 41 H LYS 41 5.084 -6.712 -10.380 309 HA LYS 41 HA LYS 41 6.597 -8.563 -8.918 310 1HB LYS 41 2HB LYS 41 5.600 -8.671 -11.308 311 2HB LYS 41 1HB LYS 41 7.119 -7.942 -11.806 312 1HG LYS 41 2HG LYS 41 8.365 -9.805 -10.949 313 2HG LYS 41 1HG LYS 41 6.901 -10.517 -10.261 314 1HD LYS 41 2HD LYS 41 5.981 -10.549 -12.621 315 2HD LYS 41 1HD LYS 41 7.619 -10.176 -13.163 316 1HE LYS 41 2HE LYS 41 8.465 -12.195 -12.154 317 2HE LYS 41 1HE LYS 41 6.883 -12.551 -11.460 318 1HZ LYS 41 1HZ LYS 41 7.556 -12.488 -14.353 319 2HZ LYS 41 2HZ LYS 41 6.003 -12.745 -13.728 320 3HZ LYS 41 3HZ LYS 41 7.235 -13.867 -13.424 321 H ASN 42 H ASN 42 7.456 -5.598 -10.535 322 HA ASN 42 HA ASN 42 10.228 -5.641 -10.521 323 1HB ASN 42 2HB ASN 42 8.722 -3.821 -11.395 324 2HB ASN 42 1HB ASN 42 8.502 -3.282 -9.752 325 1HD2 ASN 42 1HD2 ASN 42 10.752 -3.532 -12.395 326 2HD2 ASN 42 2HD2 ASN 42 11.915 -2.418 -11.763 327 H TRP 43 H TRP 43 8.125 -4.288 -8.039 328 HA TRP 43 HA TRP 43 10.063 -3.819 -6.078 329 1HB TRP 43 2HB TRP 43 7.143 -4.508 -5.696 330 2HB TRP 43 1HB TRP 43 8.186 -3.814 -4.459 331 HD1 TRP 43 HD TRP 43 9.479 -1.814 -6.926 332 HE1 TRP 43 1HE TRP 43 8.140 0.339 -7.394 333 HE3 TRP 43 3HE TRP 43 5.033 -3.159 -4.788 334 HZ2 TRP 43 2HZ TRP 43 5.539 1.328 -6.901 335 HZ3 TRP 43 3HZ TRP 43 3.172 -1.551 -4.821 336 HH2 TRP 43 HH TRP 43 3.419 0.647 -5.857 337 H ILE 44 H ILE 44 8.092 -6.682 -6.684 338 HA ILE 44 HA ILE 44 8.784 -8.191 -4.435 339 HB ILE 44 HB ILE 44 8.098 -9.181 -7.208 340 1HG1 ILE 44 2HG1 ILE 44 6.327 -8.856 -4.777 341 2HG1 ILE 44 1HG1 ILE 44 6.428 -7.682 -6.086 342 1HG2 ILE 44 1HG2 ILE 44 9.181 -10.915 -5.885 343 2HG2 ILE 44 2HG2 ILE 44 7.467 -11.275 -6.105 344 3HG2 ILE 44 3HG2 ILE 44 8.045 -10.630 -4.567 345 1HD1 ILE 44 1HD1 ILE 44 4.488 -9.101 -6.349 346 2HD1 ILE 44 2HD1 ILE 44 5.513 -10.537 -6.335 347 3HD1 ILE 44 3HD1 ILE 44 5.635 -9.378 -7.656 348 H ILE 45 H ILE 45 10.423 -7.855 -7.548 349 HA ILE 45 HA ILE 45 12.363 -9.870 -7.072 350 HB ILE 45 HB ILE 45 12.507 -7.454 -8.884 351 1HG1 ILE 45 2HG1 ILE 45 11.849 -10.341 -9.509 352 2HG1 ILE 45 1HG1 ILE 45 10.657 -9.051 -9.368 353 1HG2 ILE 45 1HG2 ILE 45 14.741 -8.282 -8.411 354 2HG2 ILE 45 2HG2 ILE 45 14.284 -8.693 -10.062 355 3HG2 ILE 45 3HG2 ILE 45 14.243 -9.928 -8.805 356 1HD1 ILE 45 1HD1 ILE 45 11.667 -7.918 -11.285 357 2HD1 ILE 45 2HD1 ILE 45 11.174 -9.560 -11.697 358 3HD1 ILE 45 3HD1 ILE 45 12.876 -9.197 -11.405 359 H LYS 46 H LYS 46 12.397 -6.348 -6.608 360 HA LYS 46 HA LYS 46 15.112 -6.203 -5.839 361 1HB LYS 46 2HB LYS 46 13.841 -4.268 -6.688 362 2HB LYS 46 1HB LYS 46 12.858 -4.280 -5.234 363 1HG LYS 46 2HG LYS 46 15.754 -4.103 -4.764 364 2HG LYS 46 1HG LYS 46 15.044 -2.723 -5.601 365 1HD LYS 46 2HD LYS 46 13.387 -2.498 -3.801 366 2HD LYS 46 1HD LYS 46 14.117 -3.870 -2.965 367 1HE LYS 46 2HE LYS 46 15.603 -1.340 -3.660 368 2HE LYS 46 1HE LYS 46 14.803 -1.608 -2.112 369 1HZ LYS 46 1HZ LYS 46 17.124 -2.140 -1.925 370 2HZ LYS 46 2HZ LYS 46 17.049 -3.201 -3.242 371 3HZ LYS 46 3HZ LYS 46 16.227 -3.577 -1.804 372 H TYR 47 H TYR 47 12.116 -6.189 -3.880 373 HA TYR 47 HA TYR 47 13.649 -6.149 -1.443 374 1HB TYR 47 2HB TYR 47 10.682 -6.464 -1.934 375 2HB TYR 47 1HB TYR 47 11.415 -6.382 -0.333 376 HD1 TYR 47 1HD TYR 47 12.591 -4.291 0.377 377 HD2 TYR 47 2HD TYR 47 10.333 -4.500 -3.221 378 HE1 TYR 47 1HE TYR 47 12.524 -1.836 0.282 379 HE2 TYR 47 2HE TYR 47 10.259 -2.048 -3.322 380 HH TYR 47 HH TYR 47 12.236 -0.066 -1.432 381 H GLY 48 H GLY 48 12.055 -8.580 -3.386 382 1HA GLY 48 2HA GLY 48 12.290 -10.687 -1.460 383 2HA GLY 48 1HA GLY 48 11.951 -10.872 -3.173 384 H SER 49 H SER 49 14.605 -9.054 -3.186 385 HA SER 49 HA SER 49 16.383 -11.195 -3.798 386 1HB SER 49 2HB SER 49 16.505 -8.955 -4.893 387 2HB SER 49 1HB SER 49 17.042 -8.271 -3.359 388 HG SER 49 HG SER 49 18.673 -10.192 -3.672 389 H ASN 50 H ASN 50 15.572 -9.397 -0.981 390 HA ASN 50 HA ASN 50 16.024 -9.751 1.211 391 1HB ASN 50 2HB ASN 50 16.155 -12.153 0.693 392 2HB ASN 50 1HB ASN 50 17.857 -11.966 0.282 393 1HD2 ASN 50 1HD2 ASN 50 15.508 -12.038 2.823 394 2HD2 ASN 50 2HD2 ASN 50 16.634 -12.200 4.133 395 H HIS 51 H HIS 51 19.129 -10.377 -0.437 396 HA HIS 51 HA HIS 51 20.219 -8.003 0.880 397 1HB HIS 51 2HB HIS 51 20.693 -10.023 2.291 398 2HB HIS 51 1HB HIS 51 21.615 -10.682 0.949 399 HD1 HIS 51 1HD HIS 51 23.621 -10.661 2.724 400 HD2 HIS 51 2HD HIS 51 22.238 -6.937 1.490 401 HE1 HIS 51 1HE HIS 51 25.408 -9.018 3.388 402 HE2 HIS 51 2HE HIS 51 24.449 -6.754 2.818 403 H ASN 52 H ASN 52 20.776 -6.814 -0.785 404 HA ASN 52 HA ASN 52 22.836 -7.442 -2.576 405 1HB ASN 52 2HB ASN 52 21.082 -8.926 -3.556 406 2HB ASN 52 1HB ASN 52 20.079 -7.509 -3.825 407 1HD2 ASN 52 1HD2 ASN 52 20.053 -7.948 -6.026 408 2HD2 ASN 52 2HD2 ASN 52 21.405 -7.601 -7.045 409 H VAL 53 H VAL 53 23.683 -5.457 -2.638 410 HA VAL 53 HA VAL 53 21.988 -3.171 -2.211 411 HB VAL 53 HB VAL 53 23.999 -3.205 -0.957 412 1HG1 VAL 53 1HG1 VAL 53 25.304 -4.629 -2.549 413 2HG1 VAL 53 2HG1 VAL 53 26.199 -3.316 -1.791 414 3HG1 VAL 53 3HG1 VAL 53 25.654 -3.159 -3.458 415 1HG2 VAL 53 1HG2 VAL 53 25.032 -1.066 -1.579 416 2HG2 VAL 53 2HG2 VAL 53 23.272 -1.011 -1.632 417 3HG2 VAL 53 3HG2 VAL 53 24.194 -1.134 -3.128 418 H GLN 54 H GLN 54 24.532 -3.777 -4.673 419 HA GLN 54 HA GLN 54 23.267 -1.754 -6.357 420 1HB GLN 54 2HB GLN 54 25.943 -2.579 -5.845 421 2HB GLN 54 1HB GLN 54 25.612 -2.831 -7.553 422 1HG GLN 54 2HG GLN 54 25.096 -0.554 -7.888 423 2HG GLN 54 1HG GLN 54 25.027 -0.245 -6.151 424 1HE2 GLN 54 1HE2 GLN 54 26.913 -0.079 -4.982 425 2HE2 GLN 54 2HE2 GLN 54 28.455 0.117 -5.730 426 H GLY 55 H GLY 55 23.230 -2.152 -8.723 427 1HA GLY 55 2HA GLY 55 23.357 -4.652 -9.930 428 2HA GLY 55 1HA GLY 55 21.710 -4.456 -9.338 429 H THR 56 H THR 56 23.747 -3.946 -11.898 430 HA THR 56 HA THR 56 23.799 -2.692 -13.765 431 HB THR 56 HB THR 56 21.537 -2.277 -14.819 432 HG1 THR 56 1HG THR 56 20.628 -2.530 -12.439 433 1HG2 THR 56 1HG2 THR 56 22.861 -4.276 -15.280 434 2HG2 THR 56 2HG2 THR 56 21.137 -4.646 -15.254 435 3HG2 THR 56 3HG2 THR 56 22.148 -5.072 -13.873 436 H THR 57 H THR 57 24.779 -0.806 -13.228 437 HA THR 57 HA THR 57 23.027 1.519 -13.017 438 HB THR 57 HB THR 57 25.292 1.098 -11.056 439 HG1 THR 57 1HG THR 57 22.635 0.364 -10.986 440 1HG2 THR 57 1HG2 THR 57 23.164 3.236 -11.245 441 2HG2 THR 57 2HG2 THR 57 24.879 3.445 -11.609 442 3HG2 THR 57 3HG2 THR 57 24.363 3.094 -9.957 443 HA PRO 58 HA PRO 58 26.476 2.563 -15.791 444 1HB PRO 58 2HB PRO 58 24.657 4.079 -17.375 445 2HB PRO 58 1HB PRO 58 25.338 2.493 -17.744 446 1HG PRO 58 2HG PRO 58 22.660 3.015 -17.207 447 2HG PRO 58 1HG PRO 58 23.433 1.422 -17.133 448 1HD PRO 58 2HD PRO 58 22.760 3.313 -14.920 449 2HD PRO 58 1HD PRO 58 22.717 1.536 -14.940 450 H SER 59 H SER 59 27.673 4.047 -14.729 451 HA SER 59 HA SER 59 26.604 6.416 -13.575 452 1HB SER 59 2HB SER 59 29.082 6.969 -13.297 453 2HB SER 59 1HB SER 59 28.517 5.483 -12.534 454 HG SER 59 HG SER 59 30.145 4.655 -13.609 455 H ALA 60 H ALA 60 28.045 5.631 -16.647 456 HA ALA 60 HA ALA 60 28.759 8.243 -17.457 457 1HB ALA 60 1HB ALA 60 28.039 5.876 -19.175 458 2HB ALA 60 2HB ALA 60 29.640 6.237 -18.531 459 3HB ALA 60 3HB ALA 60 28.897 7.325 -19.701 460 H ALA 61 H ALA 61 25.720 6.719 -17.175 461 HA ALA 61 HA ALA 61 24.404 8.125 -19.285 462 1HB ALA 61 1HB ALA 61 23.204 6.650 -16.952 463 2HB ALA 61 2HB ALA 61 23.624 5.942 -18.512 464 3HB ALA 61 3HB ALA 61 22.358 7.164 -18.411 465 H VAL 62 H VAL 62 25.496 9.117 -16.327 466 HA VAL 62 HA VAL 62 23.383 10.944 -15.679 467 HB VAL 62 HB VAL 62 26.259 10.934 -14.718 468 1HG1 VAL 62 1HG1 VAL 62 25.450 12.320 -12.871 469 2HG1 VAL 62 2HG1 VAL 62 23.843 12.359 -13.600 470 3HG1 VAL 62 3HG1 VAL 62 25.205 13.119 -14.425 471 1HG2 VAL 62 1HG2 VAL 62 25.118 8.879 -14.118 472 2HG2 VAL 62 2HG2 VAL 62 23.761 9.797 -13.463 473 3HG2 VAL 62 3HG2 VAL 62 25.342 9.885 -12.686 474 H SER 63 H SER 63 26.506 11.140 -17.259 475 HA SER 63 HA SER 63 26.424 13.911 -17.824 476 1HB SER 63 2HB SER 63 27.903 11.786 -19.390 477 2HB SER 63 1HB SER 63 28.325 13.486 -19.218 478 HG SER 63 HG SER 63 28.909 13.141 -17.114 479 H GLU 64 H GLU 64 25.296 11.042 -19.461 480 HA GLU 64 HA GLU 64 24.711 12.303 -21.948 481 1HB GLU 64 2HB GLU 64 25.207 9.912 -21.777 482 2HB GLU 64 1HB GLU 64 23.775 9.674 -20.788 483 1HG GLU 64 2HG GLU 64 22.337 10.165 -22.628 484 2HG GLU 64 1HG GLU 64 23.700 10.680 -23.622 485 H ALA 65 H ALA 65 22.920 11.584 -19.047 486 HA ALA 65 HA ALA 65 20.326 12.050 -19.954 487 1HB ALA 65 1HB ALA 65 19.725 12.349 -17.626 488 2HB ALA 65 2HB ALA 65 21.421 12.575 -17.198 489 3HB ALA 65 3HB ALA 65 20.866 11.015 -17.801 490 H GLU 66 H GLU 66 22.776 14.300 -18.738 491 HA GLU 66 HA GLU 66 21.154 16.576 -18.511 492 1HB GLU 66 2HB GLU 66 23.537 16.348 -17.709 493 2HB GLU 66 1HB GLU 66 24.046 16.561 -19.377 494 1HG GLU 66 2HG GLU 66 22.867 18.754 -19.389 495 2HG GLU 66 1HG GLU 66 22.573 18.544 -17.665 496 H GLN 67 H GLN 67 23.094 15.396 -21.215 497 HA GLN 67 HA GLN 67 22.453 17.482 -23.009 498 1HB GLN 67 2HB GLN 67 23.346 14.651 -23.611 499 2HB GLN 67 1HB GLN 67 23.422 16.020 -24.717 500 1HG GLN 67 2HG GLN 67 25.063 17.109 -23.407 501 2HG GLN 67 1HG GLN 67 24.837 15.986 -22.069 502 1HE2 GLN 67 1HE2 GLN 67 26.960 15.371 -21.997 503 2HE2 GLN 67 2HE2 GLN 67 27.697 14.400 -23.219 504 H ILE 68 H ILE 68 21.050 14.330 -22.361 505 HA ILE 68 HA ILE 68 19.085 14.329 -24.374 506 HB ILE 68 HB ILE 68 19.188 13.000 -21.662 507 1HG1 ILE 68 2HG1 ILE 68 20.826 12.206 -23.287 508 2HG1 ILE 68 1HG1 ILE 68 19.609 10.970 -23.004 509 1HG2 ILE 68 1HG2 ILE 68 17.124 12.611 -23.836 510 2HG2 ILE 68 2HG2 ILE 68 16.847 13.288 -22.229 511 3HG2 ILE 68 3HG2 ILE 68 17.304 11.593 -22.405 512 1HD1 ILE 68 1HD1 ILE 68 18.499 11.579 -25.091 513 2HD1 ILE 68 2HD1 ILE 68 20.182 11.111 -25.357 514 3HD1 ILE 68 3HD1 ILE 68 19.725 12.815 -25.375 515 H ARG 69 H ARG 69 19.089 15.618 -21.081 516 HA ARG 69 HA ARG 69 16.387 16.391 -20.977 517 1HB ARG 69 2HB ARG 69 18.837 17.342 -19.513 518 2HB ARG 69 1HB ARG 69 17.253 18.042 -19.210 519 1HG ARG 69 2HG ARG 69 17.653 15.085 -19.049 520 2HG ARG 69 1HG ARG 69 18.102 16.128 -17.700 521 1HD ARG 69 2HD ARG 69 15.809 15.176 -17.520 522 2HD ARG 69 1HD ARG 69 15.856 16.937 -17.492 523 HE ARG 69 HE ARG 69 15.395 15.816 -20.103 524 1HH1 ARG 69 1HH1 ARG 69 13.874 16.790 -17.112 525 2HH1 ARG 69 2HH1 ARG 69 12.367 17.238 -17.871 526 1HH2 ARG 69 1HH2 ARG 69 13.394 16.334 -21.100 527 2HH2 ARG 69 2HH2 ARG 69 12.090 16.946 -20.136 528 H GLN 70 H GLN 70 19.252 18.095 -22.140 529 HA GLN 70 HA GLN 70 17.863 20.538 -22.654 530 1HB GLN 70 2HB GLN 70 20.532 19.600 -22.621 531 2HB GLN 70 1HB GLN 70 20.237 20.215 -24.231 532 1HG GLN 70 2HG GLN 70 19.756 21.755 -21.689 533 2HG GLN 70 1HG GLN 70 21.212 21.875 -22.669 534 1HE2 GLN 70 1HE2 GLN 70 20.981 24.027 -23.115 535 2HE2 GLN 70 2HE2 GLN 70 19.734 24.658 -24.142 536 H LEU 71 H LEU 71 18.671 17.651 -24.463 537 HA LEU 71 HA LEU 71 18.101 18.593 -27.044 538 1HB LEU 71 2HB LEU 71 19.250 16.412 -26.276 539 2HB LEU 71 1HB LEU 71 17.629 15.760 -26.148 540 HG LEU 71 HG LEU 71 18.819 15.171 -28.262 541 1HD1 LEU 71 1HD1 LEU 71 16.311 16.804 -28.626 542 2HD1 LEU 71 2HD1 LEU 71 16.386 15.100 -28.182 543 3HD1 LEU 71 3HD1 LEU 71 16.952 15.624 -29.767 544 1HD2 LEU 71 1HD2 LEU 71 20.025 17.276 -28.569 545 2HD2 LEU 71 2HD2 LEU 71 18.503 18.104 -28.889 546 3HD2 LEU 71 3HD2 LEU 71 19.078 16.858 -29.995 547 H LYS 72 H LYS 72 16.040 16.682 -24.831 548 HA LYS 72 HA LYS 72 13.770 17.091 -26.575 549 1HB LYS 72 2HB LYS 72 14.210 14.937 -25.373 550 2HB LYS 72 1HB LYS 72 13.847 15.759 -23.864 551 1HG LYS 72 2HG LYS 72 11.970 14.412 -24.758 552 2HG LYS 72 1HG LYS 72 11.575 16.118 -24.527 553 1HD LYS 72 2HD LYS 72 10.686 15.282 -26.645 554 2HD LYS 72 1HD LYS 72 11.902 16.527 -26.910 555 1HE LYS 72 2HE LYS 72 12.308 14.807 -28.497 556 2HE LYS 72 1HE LYS 72 13.571 14.686 -27.275 557 1HZ LYS 72 1HZ LYS 72 11.123 13.005 -27.349 558 2HZ LYS 72 2HZ LYS 72 12.426 12.839 -26.273 559 3HZ LYS 72 3HZ LYS 72 12.643 12.527 -27.925 560 H LYS 73 H LYS 73 14.973 18.339 -23.549 561 HA LYS 73 HA LYS 73 14.444 20.147 -22.309 562 1HB LYS 73 2HB LYS 73 12.863 20.798 -24.776 563 2HB LYS 73 1HB LYS 73 12.814 21.835 -23.356 564 1HG LYS 73 2HG LYS 73 15.153 22.276 -23.506 565 2HG LYS 73 1HG LYS 73 15.356 21.062 -24.769 566 1HD LYS 73 2HD LYS 73 13.597 23.485 -25.084 567 2HD LYS 73 1HD LYS 73 15.301 23.466 -25.541 568 1HE LYS 73 2HE LYS 73 13.182 21.602 -26.606 569 2HE LYS 73 1HE LYS 73 13.806 23.022 -27.446 570 1HZ LYS 73 1HZ LYS 73 16.019 22.004 -27.418 571 2HZ LYS 73 2HZ LYS 73 14.896 21.029 -28.235 572 3HZ LYS 73 3HZ LYS 73 15.384 20.625 -26.666 573 H GLU 74 H GLU 74 12.534 21.342 -21.281 574 HA GLU 74 HA GLU 74 10.577 19.372 -20.420 575 1HB GLU 74 2HB GLU 74 11.409 22.092 -19.439 576 2HB GLU 74 1HB GLU 74 9.938 21.330 -18.855 577 1HG GLU 74 2HG GLU 74 12.549 19.887 -18.725 578 2HG GLU 74 1HG GLU 74 12.117 21.084 -17.504 579 H ASN 75 H ASN 75 8.743 19.229 -21.554 580 HA ASN 75 HA ASN 75 7.495 21.732 -22.468 581 1HB ASN 75 2HB ASN 75 8.650 20.301 -24.314 582 2HB ASN 75 1HB ASN 75 7.288 19.207 -24.094 583 1HD2 ASN 75 1HD2 ASN 75 8.272 22.378 -25.143 584 2HD2 ASN 75 2HD2 ASN 75 6.820 22.772 -25.997 585 H ALA 76 H ALA 76 5.109 21.044 -23.268 586 HA ALA 76 HA ALA 76 3.737 20.481 -20.899 587 1HB ALA 76 1HB ALA 76 2.694 20.424 -23.723 588 2HB ALA 76 2HB ALA 76 2.779 21.838 -22.675 589 3HB ALA 76 3HB ALA 76 1.709 20.500 -22.264 590 H LEU 77 H LEU 77 4.805 18.411 -23.461 591 HA LEU 77 HA LEU 77 3.127 16.273 -23.406 592 1HB LEU 77 2HB LEU 77 6.133 16.245 -23.612 593 2HB LEU 77 1HB LEU 77 5.090 14.912 -24.051 594 HG LEU 77 HG LEU 77 5.054 17.621 -25.380 595 1HD1 LEU 77 1HD1 LEU 77 6.192 15.003 -26.354 596 2HD1 LEU 77 2HD1 LEU 77 7.136 16.396 -25.826 597 3HD1 LEU 77 3HD1 LEU 77 6.121 16.512 -27.263 598 1HD2 LEU 77 1HD2 LEU 77 3.659 16.495 -27.046 599 2HD2 LEU 77 2HD2 LEU 77 2.905 16.483 -25.451 600 3HD2 LEU 77 3HD2 LEU 77 3.683 15.027 -26.070 601 H GLN 78 H GLN 78 5.739 16.941 -21.118 602 HA GLN 78 HA GLN 78 5.380 14.423 -19.772 603 1HB GLN 78 2HB GLN 78 7.605 15.336 -19.867 604 2HB GLN 78 1HB GLN 78 7.072 16.833 -19.117 605 1HG GLN 78 2HG GLN 78 6.605 15.656 -17.044 606 2HG GLN 78 1HG GLN 78 7.064 14.128 -17.792 607 1HE2 GLN 78 1HE2 GLN 78 8.192 17.148 -16.531 608 2HE2 GLN 78 2HE2 GLN 78 9.869 16.742 -16.474 609 H ARG 79 H ARG 79 4.714 17.838 -19.007 610 HA ARG 79 HA ARG 79 3.865 17.105 -16.359 611 1HB ARG 79 2HB ARG 79 3.932 19.789 -17.736 612 2HB ARG 79 1HB ARG 79 3.470 19.545 -16.057 613 1HG ARG 79 2HG ARG 79 5.757 18.416 -15.790 614 2HG ARG 79 1HG ARG 79 6.155 19.161 -17.336 615 1HD ARG 79 2HD ARG 79 5.229 20.640 -14.875 616 2HD ARG 79 1HD ARG 79 6.904 20.491 -15.391 617 HE ARG 79 HE ARG 79 4.833 22.152 -16.596 618 1HH1 ARG 79 1HH1 ARG 79 8.113 20.904 -16.782 619 2HH1 ARG 79 2HH1 ARG 79 8.668 22.199 -17.795 620 1HH2 ARG 79 1HH2 ARG 79 5.597 23.878 -17.883 621 2HH2 ARG 79 2HH2 ARG 79 7.250 23.867 -18.437 622 H ALA 80 H ALA 80 2.308 17.546 -19.360 623 HA ALA 80 HA ALA 80 -0.285 18.173 -18.275 624 1HB ALA 80 1HB ALA 80 0.328 18.886 -20.533 625 2HB ALA 80 2HB ALA 80 -1.111 17.862 -20.547 626 3HB ALA 80 3HB ALA 80 0.451 17.197 -21.032 627 H ARG 81 H ARG 81 1.538 15.323 -18.835 628 HA ARG 81 HA ARG 81 -0.708 13.526 -18.790 629 1HB ARG 81 2HB ARG 81 2.267 13.118 -18.560 630 2HB ARG 81 1HB ARG 81 1.125 11.796 -18.373 631 1HG ARG 81 2HG ARG 81 0.267 12.252 -20.641 632 2HG ARG 81 1HG ARG 81 1.481 13.519 -20.819 633 1HD ARG 81 2HD ARG 81 3.257 11.857 -20.522 634 2HD ARG 81 1HD ARG 81 2.043 10.594 -20.332 635 HE ARG 81 HE ARG 81 1.629 11.928 -22.785 636 1HH1 ARG 81 1HH1 ARG 81 3.884 9.728 -21.265 637 2HH1 ARG 81 2HH1 ARG 81 4.361 8.970 -22.750 638 1HH2 ARG 81 1HH2 ARG 81 2.235 10.940 -24.745 639 2HH2 ARG 81 2HH2 ARG 81 3.410 9.660 -24.746 640 H THR 82 H THR 82 1.175 15.194 -16.546 641 HA THR 82 HA THR 82 0.223 13.600 -14.301 642 HB THR 82 HB THR 82 2.062 15.993 -14.236 643 HG1 THR 82 1HG THR 82 2.533 13.226 -14.597 644 1HG2 THR 82 1HG2 THR 82 2.685 15.132 -12.023 645 2HG2 THR 82 2HG2 THR 82 1.504 13.837 -12.197 646 3HG2 THR 82 3HG2 THR 82 0.965 15.512 -12.101 647 H ARG 83 H ARG 83 0.666 17.080 -14.473 648 HA ARG 83 HA ARG 83 -1.791 17.611 -13.127 649 1HB ARG 83 2HB ARG 83 0.205 19.385 -14.523 650 2HB ARG 83 1HB ARG 83 -1.250 20.013 -13.770 651 1HG ARG 83 2HG ARG 83 -0.531 19.207 -11.609 652 2HG ARG 83 1HG ARG 83 0.889 18.453 -12.339 653 1HD ARG 83 2HD ARG 83 1.266 20.684 -11.204 654 2HD ARG 83 1HD ARG 83 1.857 20.540 -12.859 655 HE ARG 83 HE ARG 83 -0.175 21.778 -13.546 656 1HH1 ARG 83 1HH1 ARG 83 0.841 21.989 -10.190 657 2HH1 ARG 83 2HH1 ARG 83 0.159 23.567 -9.963 658 1HH2 ARG 83 1HH2 ARG 83 -1.061 23.828 -13.241 659 2HH2 ARG 83 2HH2 ARG 83 -0.920 24.628 -11.698 660 H HIS 84 H HIS 84 -3.736 17.907 -13.962 661 HA HIS 84 HA HIS 84 -4.028 17.592 -16.840 662 1HB HIS 84 2HB HIS 84 -6.337 17.022 -16.404 663 2HB HIS 84 1HB HIS 84 -5.312 16.116 -15.301 664 HD1 HIS 84 1HD HIS 84 -8.141 18.429 -15.413 665 HD2 HIS 84 2HD HIS 84 -5.383 17.139 -12.575 666 HE1 HIS 84 1HE HIS 84 -9.102 19.090 -13.182 667 HE2 HIS 84 2HE HIS 84 -7.383 18.374 -11.480 668 HA PRO 85 HA PRO 85 -5.176 21.756 -17.792 669 1HB PRO 85 2HB PRO 85 -7.474 20.591 -19.268 670 2HB PRO 85 1HB PRO 85 -6.209 21.687 -19.833 671 1HG PRO 85 2HG PRO 85 -6.197 19.116 -20.522 672 2HG PRO 85 1HG PRO 85 -4.687 19.974 -20.159 673 1HD PRO 85 2HD PRO 85 -6.216 18.033 -18.480 674 2HD PRO 85 1HD PRO 85 -4.468 18.247 -18.657 675 H ALA 86 H ALA 86 -7.249 23.147 -17.917 676 HA ALA 86 HA ALA 86 -9.024 22.403 -15.699 677 1HB ALA 86 1HB ALA 86 -8.712 24.551 -14.618 678 2HB ALA 86 2HB ALA 86 -7.586 25.045 -15.881 679 3HB ALA 86 3HB ALA 86 -7.160 23.730 -14.788 680 H GLU 87 H GLU 87 -9.311 22.697 -18.640 681 HA GLU 87 HA GLU 87 -10.821 24.975 -19.258 682 1HB GLU 87 2HB GLU 87 -10.828 22.209 -20.458 683 2HB GLU 87 1HB GLU 87 -11.818 23.515 -21.091 684 1HG GLU 87 2HG GLU 87 -9.937 23.532 -22.444 685 2HG GLU 87 1HG GLU 87 -9.638 24.831 -21.294 686 H SER 88 H SER 88 -11.620 22.204 -17.426 687 HA SER 88 HA SER 88 -14.433 22.205 -17.712 688 1HB SER 88 2HB SER 88 -13.247 20.268 -16.852 689 2HB SER 88 1HB SER 88 -12.645 21.201 -15.485 690 HG SER 88 HG SER 88 -15.421 21.035 -15.884 691 H CYS 89 H CYS 89 -12.270 24.188 -15.816 692 HA CYS 89 HA CYS 89 -14.035 24.629 -13.641 693 1HB CYS 89 2HB CYS 89 -12.452 26.264 -12.857 694 2HB CYS 89 1HB CYS 89 -11.572 24.872 -13.480 695 HG CYS 89 HG CYS 89 -10.566 26.052 -15.680 696 H LEU 90 H LEU 90 -13.828 26.092 -16.746 697 HA LEU 90 HA LEU 90 -14.754 28.671 -15.968 698 1HB LEU 90 2HB LEU 90 -15.029 29.084 -18.390 699 2HB LEU 90 1HB LEU 90 -13.434 28.513 -17.947 700 HG LEU 90 HG LEU 90 -14.326 26.178 -18.679 701 1HD1 LEU 90 1HD1 LEU 90 -16.668 26.806 -18.910 702 2HD1 LEU 90 2HD1 LEU 90 -16.001 26.266 -20.451 703 3HD1 LEU 90 3HD1 LEU 90 -16.239 27.986 -20.147 704 1HD2 LEU 90 1HD2 LEU 90 -13.741 28.374 -20.659 705 2HD2 LEU 90 2HD2 LEU 90 -13.653 26.645 -20.996 706 3HD2 LEU 90 3HD2 LEU 90 -12.557 27.371 -19.819 707 H GLU 91 H GLU 91 -16.340 25.713 -16.422 708 HA GLU 91 HA GLU 91 -18.855 26.819 -17.260 709 1HB GLU 91 2HB GLU 91 -17.865 24.107 -16.533 710 2HB GLU 91 1HB GLU 91 -19.596 24.404 -16.456 711 1HG GLU 91 2HG GLU 91 -17.891 24.904 -18.883 712 2HG GLU 91 1HG GLU 91 -18.841 23.444 -18.604 713 H HIS 92 H HIS 92 -17.571 25.520 -14.209 714 HA HIS 92 HA HIS 92 -18.334 25.581 -12.063 715 1HB HIS 92 2HB HIS 92 -19.809 28.026 -13.082 716 2HB HIS 92 1HB HIS 92 -19.821 27.518 -11.400 717 HD1 HIS 92 1HD HIS 92 -18.028 28.472 -9.966 718 HD2 HIS 92 2HD HIS 92 -17.096 28.689 -14.016 719 HE1 HIS 92 1HE HIS 92 -15.892 29.795 -10.102 720 HE2 HIS 92 2HE HIS 92 -15.295 29.843 -12.557 721 H HIS 93 H HIS 93 -20.697 25.857 -10.834 722 HA HIS 93 HA HIS 93 -22.639 24.457 -12.543 723 1HB HIS 93 2HB HIS 93 -23.552 23.414 -10.436 724 2HB HIS 93 1HB HIS 93 -21.977 22.838 -10.959 725 HD1 HIS 93 1HD HIS 93 -19.963 23.329 -9.447 726 HD2 HIS 93 2HD HIS 93 -23.574 24.797 -7.982 727 HE1 HIS 93 1HE HIS 93 -19.539 23.905 -7.034 728 HE2 HIS 93 2HE HIS 93 -21.792 24.558 -6.116 729 H HIS 94 H HIS 94 -22.006 27.153 -10.632 730 HA HIS 94 HA HIS 94 -23.160 29.040 -10.185 731 1HB HIS 94 2HB HIS 94 -24.521 28.054 -12.671 732 2HB HIS 94 1HB HIS 94 -24.991 29.571 -11.912 733 HD1 HIS 94 1HD HIS 94 -22.588 28.143 -14.248 734 HD2 HIS 94 2HD HIS 94 -22.777 31.475 -11.760 735 HE1 HIS 94 1HE HIS 94 -20.802 29.720 -15.074 736 HE2 HIS 94 2HE HIS 94 -20.922 31.723 -13.541 737 H HIS 95 H HIS 95 -24.027 28.641 -8.168 738 HA HIS 95 HA HIS 95 -26.656 27.480 -7.933 739 1HB HIS 95 2HB HIS 95 -24.979 27.313 -6.091 740 2HB HIS 95 1HB HIS 95 -25.091 29.058 -5.871 741 HD1 HIS 95 1HD HIS 95 -26.906 25.870 -5.211 742 HD2 HIS 95 2HD HIS 95 -27.454 29.951 -4.620 743 HE1 HIS 95 1HE HIS 95 -28.846 26.072 -3.618 744 HE2 HIS 95 2HE HIS 95 -29.277 28.552 -3.425 745 H HIS 96 H HIS 96 -28.448 28.531 -8.438 746 HA HIS 96 HA HIS 96 -28.430 31.267 -9.170 747 1HB HIS 96 2HB HIS 96 -30.810 31.020 -9.585 748 2HB HIS 96 1HB HIS 96 -29.950 29.611 -10.197 749 HD1 HIS 96 1HD HIS 96 -32.727 30.599 -8.065 750 HD2 HIS 96 2HD HIS 96 -30.244 27.281 -8.449 751 HE1 HIS 96 1HE HIS 96 -33.889 28.731 -6.836 752 HE2 HIS 96 2HE HIS 96 -32.430 26.698 -7.194 753 H HIS 97 H HIS 97 -28.826 33.044 -8.090 754 HA HIS 97 HA HIS 97 -29.326 34.514 -6.449 755 1HB HIS 97 2HB HIS 97 -31.618 33.506 -6.750 756 2HB HIS 97 1HB HIS 97 -31.263 32.447 -5.388 757 HD1 HIS 97 1HD HIS 97 -31.458 33.434 -3.048 758 HD2 HIS 97 2HD HIS 97 -31.920 36.256 -6.073 759 HE1 HIS 97 1HE HIS 97 -32.301 35.518 -1.914 760 HE2 HIS 97 2HE HIS 97 -32.689 37.175 -3.775 Start of MODEL 3 1 1H MET 1 1HT MET 1 5.828 18.648 -14.187 2 2H MET 1 2HT MET 1 7.403 19.267 -14.119 3 3H MET 1 3HT MET 1 6.291 19.643 -12.896 4 HA MET 1 HA MET 1 7.381 16.959 -13.497 5 1HB MET 1 2HB MET 1 7.943 18.939 -11.291 6 2HB MET 1 1HB MET 1 8.313 17.231 -11.133 7 1HG MET 1 2HG MET 1 10.297 18.364 -11.760 8 2HG MET 1 1HG MET 1 9.755 17.415 -13.142 9 1HE MET 1 1HE MET 1 11.925 19.741 -13.318 10 2HE MET 1 2HE MET 1 11.411 20.562 -14.792 11 3HE MET 1 3HE MET 1 11.395 18.800 -14.716 12 HA PRO 2 HA PRO 2 3.562 15.945 -11.304 13 1HB PRO 2 2HB PRO 2 3.318 13.460 -12.294 14 2HB PRO 2 1HB PRO 2 2.889 14.883 -13.251 15 1HG PRO 2 2HG PRO 2 5.346 13.188 -13.363 16 2HG PRO 2 1HG PRO 2 4.426 13.919 -14.688 17 1HD PRO 2 2HD PRO 2 6.764 14.950 -13.627 18 2HD PRO 2 1HD PRO 2 5.558 15.893 -14.524 19 H THR 3 H THR 3 3.059 14.114 -9.793 20 HA THR 3 HA THR 3 5.484 12.855 -8.741 21 HB THR 3 HB THR 3 5.137 14.644 -7.228 22 HG1 THR 3 1HG THR 3 4.812 13.495 -5.326 23 1HG2 THR 3 1HG2 THR 3 2.850 15.252 -7.798 24 2HG2 THR 3 2HG2 THR 3 3.001 15.026 -6.055 25 3HG2 THR 3 3HG2 THR 3 2.257 13.772 -7.046 26 H LYS 4 H LYS 4 5.253 10.903 -7.818 27 HA LYS 4 HA LYS 4 2.667 9.600 -7.648 28 1HB LYS 4 2HB LYS 4 3.546 9.474 -10.082 29 2HB LYS 4 1HB LYS 4 4.757 8.375 -9.450 30 1HG LYS 4 2HG LYS 4 1.804 7.914 -9.152 31 2HG LYS 4 1HG LYS 4 2.748 7.319 -10.515 32 1HD LYS 4 2HD LYS 4 4.233 6.160 -8.847 33 2HD LYS 4 1HD LYS 4 3.059 6.601 -7.606 34 1HE LYS 4 2HE LYS 4 2.627 4.349 -8.347 35 2HE LYS 4 1HE LYS 4 1.314 5.397 -8.879 36 1HZ LYS 4 1HZ LYS 4 2.161 5.403 -11.078 37 2HZ LYS 4 2HZ LYS 4 2.160 3.782 -10.573 38 3HZ LYS 4 3HZ LYS 4 3.608 4.657 -10.609 39 H THR 5 H THR 5 3.094 9.213 -5.493 40 HA THR 5 HA THR 5 5.632 7.865 -4.851 41 HB THR 5 HB THR 5 3.999 9.218 -2.753 42 HG1 THR 5 1HG THR 5 5.113 10.464 -4.930 43 1HG2 THR 5 1HG2 THR 5 6.204 9.658 -1.788 44 2HG2 THR 5 2HG2 THR 5 6.972 8.943 -3.203 45 3HG2 THR 5 3HG2 THR 5 5.996 7.941 -2.131 46 H TYR 6 H TYR 6 5.626 6.281 -3.228 47 HA TYR 6 HA TYR 6 3.102 5.227 -2.243 48 1HB TYR 6 2HB TYR 6 5.010 3.747 -4.012 49 2HB TYR 6 1HB TYR 6 4.232 2.870 -2.704 50 HD1 TYR 6 1HD TYR 6 4.039 3.286 -6.039 51 HD2 TYR 6 2HD TYR 6 1.535 3.698 -2.628 52 HE1 TYR 6 1HE TYR 6 2.060 2.934 -7.453 53 HE2 TYR 6 2HE TYR 6 -0.452 3.347 -4.035 54 HH TYR 6 HH TYR 6 -0.210 2.303 -7.330 55 H SER 7 H SER 7 3.378 4.028 -0.283 56 HA SER 7 HA SER 7 5.697 4.822 1.196 57 1HB SER 7 2HB SER 7 4.491 3.313 2.977 58 2HB SER 7 1HB SER 7 3.798 4.872 2.524 59 HG SER 7 HG SER 7 2.294 3.064 2.535 60 H GLU 8 H GLU 8 7.184 3.433 2.211 61 HA GLU 8 HA GLU 8 8.119 1.362 0.522 62 1HB GLU 8 2HB GLU 8 9.581 0.999 2.773 63 2HB GLU 8 1HB GLU 8 9.947 2.196 1.543 64 1HG GLU 8 2HG GLU 8 10.095 3.158 3.761 65 2HG GLU 8 1HG GLU 8 8.790 3.903 2.845 66 H GLU 9 H GLU 9 6.472 1.366 3.648 67 HA GLU 9 HA GLU 9 6.647 -1.417 4.114 68 1HB GLU 9 2HB GLU 9 6.055 0.429 5.768 69 2HB GLU 9 1HB GLU 9 4.437 0.389 5.089 70 1HG GLU 9 2HG GLU 9 4.555 -0.920 7.123 71 2HG GLU 9 1HG GLU 9 4.214 -1.952 5.735 72 H PHE 10 H PHE 10 4.444 0.556 2.279 73 HA PHE 10 HA PHE 10 2.361 -1.291 1.875 74 1HB PHE 10 2HB PHE 10 2.143 1.086 1.342 75 2HB PHE 10 1HB PHE 10 3.374 0.941 0.096 76 HD1 PHE 10 1HD PHE 10 -0.034 -0.128 1.044 77 HD2 PHE 10 2HD PHE 10 2.810 0.328 -2.088 78 HE1 PHE 10 1HE PHE 10 -1.794 -0.570 -0.617 79 HE2 PHE 10 2HE PHE 10 1.055 -0.114 -3.753 80 HZ PHE 10 HZ PHE 10 -1.251 -0.561 -3.017 81 H LYS 11 H LYS 11 5.205 -0.526 -0.108 82 HA LYS 11 HA LYS 11 4.726 -2.589 -2.013 83 1HB LYS 11 2HB LYS 11 7.331 -1.143 -1.476 84 2HB LYS 11 1HB LYS 11 6.858 -1.961 -2.959 85 1HG LYS 11 2HG LYS 11 4.915 -0.282 -3.029 86 2HG LYS 11 1HG LYS 11 5.851 0.624 -1.839 87 1HD LYS 11 2HD LYS 11 6.793 -0.195 -4.585 88 2HD LYS 11 1HD LYS 11 6.266 1.419 -4.115 89 1HE LYS 11 2HE LYS 11 8.108 1.600 -2.571 90 2HE LYS 11 1HE LYS 11 8.607 -0.054 -2.919 91 1HZ LYS 11 1HZ LYS 11 8.643 2.259 -4.774 92 2HZ LYS 11 2HZ LYS 11 8.925 0.664 -5.254 93 3HZ LYS 11 3HZ LYS 11 9.981 1.414 -4.164 94 H ARG 12 H ARG 12 6.503 -2.329 0.962 95 HA ARG 12 HA ARG 12 8.041 -4.694 0.791 96 1HB ARG 12 2HB ARG 12 8.398 -2.828 2.397 97 2HB ARG 12 1HB ARG 12 6.926 -3.296 3.230 98 1HG ARG 12 2HG ARG 12 7.942 -5.444 3.804 99 2HG ARG 12 1HG ARG 12 9.431 -4.947 2.987 100 1HD ARG 12 2HD ARG 12 9.584 -3.012 4.506 101 2HD ARG 12 1HD ARG 12 8.141 -3.577 5.346 102 HE ARG 12 HE ARG 12 10.514 -5.306 5.208 103 1HH1 ARG 12 1HH1 ARG 12 8.213 -3.422 7.096 104 2HH1 ARG 12 2HH1 ARG 12 8.799 -4.024 8.622 105 1HH2 ARG 12 1HH2 ARG 12 11.267 -6.082 7.197 106 2HH2 ARG 12 2HH2 ARG 12 10.543 -5.538 8.683 107 H ASP 13 H ASP 13 4.842 -4.012 2.177 108 HA ASP 13 HA ASP 13 4.345 -6.689 2.981 109 1HB ASP 13 2HB ASP 13 3.147 -4.711 3.904 110 2HB ASP 13 1HB ASP 13 2.325 -4.528 2.358 111 H ALA 14 H ALA 14 3.905 -4.920 0.016 112 HA ALA 14 HA ALA 14 2.246 -6.722 -1.345 113 1HB ALA 14 1HB ALA 14 4.408 -4.979 -2.511 114 2HB ALA 14 2HB ALA 14 2.766 -4.451 -2.139 115 3HB ALA 14 3HB ALA 14 3.040 -5.679 -3.377 116 H VAL 15 H VAL 15 5.734 -6.666 -0.831 117 HA VAL 15 HA VAL 15 6.444 -8.802 -2.504 118 HB VAL 15 HB VAL 15 7.699 -7.935 0.115 119 1HG1 VAL 15 1HG1 VAL 15 9.705 -9.113 -0.623 120 2HG1 VAL 15 2HG1 VAL 15 8.851 -9.692 -2.053 121 3HG1 VAL 15 3HG1 VAL 15 8.348 -10.228 -0.450 122 1HG2 VAL 15 1HG2 VAL 15 7.684 -6.173 -1.545 123 2HG2 VAL 15 2HG2 VAL 15 8.386 -7.263 -2.741 124 3HG2 VAL 15 3HG2 VAL 15 9.323 -6.785 -1.324 125 H ALA 16 H ALA 16 5.293 -8.687 0.832 126 HA ALA 16 HA ALA 16 5.423 -11.489 1.290 127 1HB ALA 16 1HB ALA 16 5.333 -9.879 3.124 128 2HB ALA 16 2HB ALA 16 4.032 -11.063 3.236 129 3HB ALA 16 3HB ALA 16 3.691 -9.435 2.654 130 H LEU 17 H LEU 17 2.859 -9.351 0.125 131 HA LEU 17 HA LEU 17 0.782 -11.224 0.009 132 1HB LEU 17 2HB LEU 17 1.363 -8.835 -1.743 133 2HB LEU 17 1HB LEU 17 -0.129 -9.752 -1.813 134 HG LEU 17 HG LEU 17 0.832 -8.348 0.682 135 1HD1 LEU 17 1HD1 LEU 17 -1.105 -7.402 -1.426 136 2HD1 LEU 17 2HD1 LEU 17 0.463 -6.690 -1.045 137 3HD1 LEU 17 3HD1 LEU 17 -0.844 -6.631 0.136 138 1HD2 LEU 17 1HD2 LEU 17 -1.491 -8.628 1.389 139 2HD2 LEU 17 2HD2 LEU 17 -0.733 -10.185 1.051 140 3HD2 LEU 17 3HD2 LEU 17 -1.851 -9.475 -0.117 141 H TYR 18 H TYR 18 3.460 -10.615 -2.129 142 HA TYR 18 HA TYR 18 2.561 -11.968 -4.420 143 1HB TYR 18 2HB TYR 18 4.427 -10.366 -4.372 144 2HB TYR 18 1HB TYR 18 5.381 -11.508 -3.440 145 HD1 TYR 18 1HD TYR 18 6.630 -13.208 -4.515 146 HD2 TYR 18 2HD TYR 18 3.813 -10.928 -6.738 147 HE1 TYR 18 1HE TYR 18 7.547 -14.123 -6.605 148 HE2 TYR 18 2HE TYR 18 4.715 -11.842 -8.832 149 HH TYR 18 HH TYR 18 7.078 -14.418 -8.858 150 H GLU 19 H GLU 19 4.393 -13.130 -1.597 151 HA GLU 19 HA GLU 19 4.775 -15.739 -2.728 152 1HB GLU 19 2HB GLU 19 5.667 -16.388 -0.576 153 2HB GLU 19 1HB GLU 19 6.317 -14.815 -1.020 154 1HG GLU 19 2HG GLU 19 5.273 -13.751 0.673 155 2HG GLU 19 1HG GLU 19 3.861 -14.802 0.607 156 H ASN 20 H ASN 20 2.274 -14.161 -0.994 157 HA ASN 20 HA ASN 20 1.016 -16.657 -0.164 158 1HB ASN 20 2HB ASN 20 0.396 -13.755 0.357 159 2HB ASN 20 1HB ASN 20 -0.735 -15.037 0.779 160 1HD2 ASN 20 1HD2 ASN 20 2.254 -13.487 1.546 161 2HD2 ASN 20 2HD2 ASN 20 2.546 -14.324 3.038 162 H SER 21 H SER 21 1.324 -15.854 -2.979 163 HA SER 21 HA SER 21 -1.153 -14.916 -3.985 164 1HB SER 21 2HB SER 21 -0.141 -15.779 -6.180 165 2HB SER 21 1HB SER 21 0.678 -14.470 -5.332 166 HG SER 21 HG SER 21 2.346 -15.701 -5.056 167 H ASP 22 H ASP 22 -0.127 -18.008 -2.991 168 HA ASP 22 HA ASP 22 -1.730 -19.623 -4.641 169 1HB ASP 22 2HB ASP 22 0.009 -20.470 -3.026 170 2HB ASP 22 1HB ASP 22 -1.132 -20.149 -1.723 171 H GLY 23 H GLY 23 -2.432 -17.698 -1.841 172 1HA GLY 23 2HA GLY 23 -5.242 -18.570 -1.906 173 2HA GLY 23 1HA GLY 23 -4.462 -17.749 -0.559 174 H ALA 24 H ALA 24 -3.429 -16.306 -3.372 175 HA ALA 24 HA ALA 24 -5.690 -14.527 -3.710 176 1HB ALA 24 1HB ALA 24 -3.069 -13.460 -2.650 177 2HB ALA 24 2HB ALA 24 -4.580 -13.554 -1.747 178 3HB ALA 24 3HB ALA 24 -4.457 -12.493 -3.148 179 H SER 25 H SER 25 -5.828 -14.318 -5.832 180 HA SER 25 HA SER 25 -3.835 -15.199 -7.588 181 1HB SER 25 2HB SER 25 -6.155 -13.362 -8.225 182 2HB SER 25 1HB SER 25 -5.290 -14.399 -9.359 183 HG SER 25 HG SER 25 -7.084 -15.541 -8.798 184 H LEU 26 H LEU 26 -2.264 -14.188 -8.702 185 HA LEU 26 HA LEU 26 -0.992 -11.980 -7.654 186 1HB LEU 26 2HB LEU 26 -0.059 -13.714 -9.210 187 2HB LEU 26 1HB LEU 26 -0.820 -12.853 -10.530 188 HG LEU 26 HG LEU 26 0.552 -10.866 -10.017 189 1HD1 LEU 26 1HD1 LEU 26 1.871 -12.671 -7.991 190 2HD1 LEU 26 2HD1 LEU 26 0.865 -11.269 -7.628 191 3HD1 LEU 26 3HD1 LEU 26 2.409 -11.054 -8.446 192 1HD2 LEU 26 1HD2 LEU 26 2.140 -13.403 -10.408 193 2HD2 LEU 26 2HD2 LEU 26 2.679 -11.774 -10.810 194 3HD2 LEU 26 3HD2 LEU 26 1.321 -12.492 -11.675 195 H GLN 27 H GLN 27 -3.322 -12.093 -10.298 196 HA GLN 27 HA GLN 27 -3.051 -9.340 -10.985 197 1HB GLN 27 2HB GLN 27 -3.937 -11.107 -12.516 198 2HB GLN 27 1HB GLN 27 -5.391 -11.172 -11.532 199 1HG GLN 27 2HG GLN 27 -5.630 -9.822 -13.593 200 2HG GLN 27 1HG GLN 27 -5.971 -8.934 -12.109 201 1HE2 GLN 27 1HE2 GLN 27 -4.687 -7.239 -11.528 202 2HE2 GLN 27 2HE2 GLN 27 -3.470 -6.573 -12.561 203 H GLN 28 H GLN 28 -4.973 -11.115 -8.673 204 HA GLN 28 HA GLN 28 -6.838 -9.068 -8.070 205 1HB GLN 28 2HB GLN 28 -7.145 -11.452 -7.410 206 2HB GLN 28 1HB GLN 28 -5.828 -11.282 -6.262 207 1HG GLN 28 2HG GLN 28 -8.214 -9.486 -6.097 208 2HG GLN 28 1HG GLN 28 -8.278 -11.120 -5.442 209 1HE2 GLN 28 1HE2 GLN 28 -8.405 -8.480 -4.127 210 2HE2 GLN 28 2HE2 GLN 28 -7.152 -8.494 -2.937 211 H ILE 29 H ILE 29 -3.707 -9.989 -6.670 212 HA ILE 29 HA ILE 29 -3.512 -8.018 -4.705 213 HB ILE 29 HB ILE 29 -1.257 -9.104 -6.412 214 1HG1 ILE 29 2HG1 ILE 29 -2.606 -10.872 -5.289 215 2HG1 ILE 29 1HG1 ILE 29 -0.949 -10.797 -4.704 216 1HG2 ILE 29 1HG2 ILE 29 -0.685 -7.078 -5.139 217 2HG2 ILE 29 2HG2 ILE 29 0.200 -8.494 -4.575 218 3HG2 ILE 29 3HG2 ILE 29 -1.175 -7.886 -3.651 219 1HD1 ILE 29 1HD1 ILE 29 -2.524 -11.140 -2.887 220 2HD1 ILE 29 2HD1 ILE 29 -3.358 -9.645 -3.318 221 3HD1 ILE 29 3HD1 ILE 29 -1.696 -9.592 -2.726 222 H ALA 30 H ALA 30 -2.495 -7.953 -8.105 223 HA ALA 30 HA ALA 30 -1.532 -5.320 -8.153 224 1HB ALA 30 1HB ALA 30 -1.042 -6.973 -9.884 225 2HB ALA 30 2HB ALA 30 -1.699 -5.491 -10.578 226 3HB ALA 30 3HB ALA 30 -2.720 -6.921 -10.417 227 H ASN 31 H ASN 31 -4.773 -6.631 -8.740 228 HA ASN 31 HA ASN 31 -5.961 -4.214 -9.602 229 1HB ASN 31 2HB ASN 31 -7.012 -6.826 -8.561 230 2HB ASN 31 1HB ASN 31 -8.097 -5.481 -8.835 231 1HD2 ASN 31 1HD2 ASN 31 -8.083 -8.037 -10.134 232 2HD2 ASN 31 2HD2 ASN 31 -7.836 -7.732 -11.824 233 H ASP 32 H ASP 32 -5.763 -5.830 -6.465 234 HA ASP 32 HA ASP 32 -7.498 -4.073 -5.092 235 1HB ASP 32 2HB ASP 32 -6.832 -6.393 -4.356 236 2HB ASP 32 1HB ASP 32 -5.272 -5.729 -3.892 237 H LEU 33 H LEU 33 -3.999 -4.138 -5.513 238 HA LEU 33 HA LEU 33 -3.599 -1.817 -3.848 239 1HB LEU 33 2HB LEU 33 -1.827 -3.595 -5.475 240 2HB LEU 33 1HB LEU 33 -1.228 -2.042 -4.940 241 HG LEU 33 HG LEU 33 -1.605 -2.698 -2.598 242 1HD1 LEU 33 1HD1 LEU 33 -3.456 -4.254 -2.924 243 2HD1 LEU 33 2HD1 LEU 33 -2.135 -5.001 -2.027 244 3HD1 LEU 33 3HD1 LEU 33 -2.368 -5.382 -3.733 245 1HD2 LEU 33 1HD2 LEU 33 0.043 -4.663 -4.179 246 2HD2 LEU 33 2HD2 LEU 33 0.197 -4.334 -2.453 247 3HD2 LEU 33 3HD2 LEU 33 0.567 -3.071 -3.627 248 H GLY 34 H GLY 34 -4.172 -2.478 -7.184 249 1HA GLY 34 2HA GLY 34 -4.738 -0.963 -8.847 250 2HA GLY 34 1HA GLY 34 -4.335 0.349 -7.752 251 H ILE 35 H ILE 35 -2.286 -2.350 -8.715 252 HA ILE 35 HA ILE 35 -0.451 -0.427 -9.992 253 HB ILE 35 HB ILE 35 1.425 -1.799 -9.128 254 1HG1 ILE 35 2HG1 ILE 35 -0.726 -3.119 -7.455 255 2HG1 ILE 35 1HG1 ILE 35 0.157 -3.882 -8.774 256 1HG2 ILE 35 1HG2 ILE 35 0.781 0.261 -7.998 257 2HG2 ILE 35 2HG2 ILE 35 1.364 -0.936 -6.840 258 3HG2 ILE 35 3HG2 ILE 35 -0.366 -0.633 -7.002 259 1HD1 ILE 35 1HD1 ILE 35 1.344 -2.890 -6.192 260 2HD1 ILE 35 2HD1 ILE 35 2.236 -3.636 -7.517 261 3HD1 ILE 35 3HD1 ILE 35 1.038 -4.571 -6.627 262 H ASN 36 H ASN 36 1.069 -1.464 -11.527 263 HA ASN 36 HA ASN 36 -0.212 -3.378 -13.202 264 1HB ASN 36 2HB ASN 36 1.329 -1.533 -13.945 265 2HB ASN 36 1HB ASN 36 2.661 -2.442 -13.249 266 1HD2 ASN 36 1HD2 ASN 36 1.961 -1.584 -16.002 267 2HD2 ASN 36 2HD2 ASN 36 2.063 -3.024 -16.946 268 H ARG 37 H ARG 37 0.315 -5.501 -13.528 269 HA ARG 37 HA ARG 37 1.095 -7.050 -11.334 270 1HB ARG 37 2HB ARG 37 -0.312 -7.802 -13.253 271 2HB ARG 37 1HB ARG 37 1.131 -7.835 -14.256 272 1HG ARG 37 2HG ARG 37 2.091 -9.510 -12.659 273 2HG ARG 37 1HG ARG 37 0.509 -9.571 -11.879 274 1HD ARG 37 2HD ARG 37 1.144 -10.264 -14.743 275 2HD ARG 37 1HD ARG 37 0.715 -11.388 -13.458 276 HE ARG 37 HE ARG 37 -1.277 -9.361 -14.005 277 1HH1 ARG 37 1HH1 ARG 37 -0.118 -12.577 -14.785 278 2HH1 ARG 37 2HH1 ARG 37 -1.657 -13.118 -15.391 279 1HH2 ARG 37 1HH2 ARG 37 -3.288 -10.053 -14.853 280 2HH2 ARG 37 2HH2 ARG 37 -3.447 -11.677 -15.464 281 H VAL 38 H VAL 38 2.907 -5.823 -14.081 282 HA VAL 38 HA VAL 38 5.297 -7.301 -13.570 283 HB VAL 38 HB VAL 38 4.971 -4.717 -15.115 284 1HG1 VAL 38 1HG1 VAL 38 7.138 -6.815 -15.249 285 2HG1 VAL 38 2HG1 VAL 38 7.294 -5.221 -14.512 286 3HG1 VAL 38 3HG1 VAL 38 7.023 -5.365 -16.248 287 1HG2 VAL 38 1HG2 VAL 38 4.870 -7.566 -16.107 288 2HG2 VAL 38 2HG2 VAL 38 4.788 -6.114 -17.105 289 3HG2 VAL 38 3HG2 VAL 38 3.490 -6.475 -15.963 290 H THR 39 H THR 39 4.179 -4.038 -12.753 291 HA THR 39 HA THR 39 6.529 -3.106 -11.538 292 HB THR 39 HB THR 39 3.699 -2.388 -10.736 293 HG1 THR 39 1HG THR 39 5.328 -1.230 -12.781 294 1HG2 THR 39 1HG2 THR 39 5.469 -1.539 -9.247 295 2HG2 THR 39 2HG2 THR 39 4.668 -0.237 -10.126 296 3HG2 THR 39 3HG2 THR 39 6.263 -0.790 -10.634 297 H LEU 40 H LEU 40 3.765 -4.900 -10.254 298 HA LEU 40 HA LEU 40 4.531 -5.027 -7.570 299 1HB LEU 40 2HB LEU 40 2.333 -5.713 -8.300 300 2HB LEU 40 1HB LEU 40 3.016 -6.999 -9.275 301 HG LEU 40 HG LEU 40 3.789 -8.124 -7.202 302 1HD1 LEU 40 1HD1 LEU 40 2.900 -7.381 -5.049 303 2HD1 LEU 40 2HD1 LEU 40 2.218 -5.949 -5.823 304 3HD1 LEU 40 3HD1 LEU 40 3.967 -6.170 -5.760 305 1HD2 LEU 40 1HD2 LEU 40 0.843 -7.506 -7.349 306 2HD2 LEU 40 2HD2 LEU 40 1.564 -8.863 -6.486 307 3HD2 LEU 40 3HD2 LEU 40 1.693 -8.766 -8.240 308 H LYS 41 H LYS 41 5.197 -7.268 -10.239 309 HA LYS 41 HA LYS 41 6.669 -9.166 -8.844 310 1HB LYS 41 2HB LYS 41 6.019 -8.504 -11.552 311 2HB LYS 41 1HB LYS 41 7.715 -8.924 -11.462 312 1HG LYS 41 2HG LYS 41 7.132 -11.056 -10.416 313 2HG LYS 41 1HG LYS 41 5.424 -10.623 -10.503 314 1HD LYS 41 2HD LYS 41 5.702 -10.418 -12.987 315 2HD LYS 41 1HD LYS 41 7.321 -11.093 -12.797 316 1HE LYS 41 2HE LYS 41 4.767 -12.451 -11.948 317 2HE LYS 41 1HE LYS 41 5.625 -12.769 -13.453 318 1HZ LYS 41 1HZ LYS 41 6.677 -13.227 -10.706 319 2HZ LYS 41 2HZ LYS 41 7.547 -13.487 -12.140 320 3HZ LYS 41 3HZ LYS 41 6.169 -14.419 -11.803 321 H ASN 42 H ASN 42 7.664 -6.158 -10.381 322 HA ASN 42 HA ASN 42 10.448 -6.524 -10.143 323 1HB ASN 42 2HB ASN 42 8.752 -4.049 -10.433 324 2HB ASN 42 1HB ASN 42 10.506 -3.980 -10.355 325 1HD2 ASN 42 1HD2 ASN 42 8.766 -3.197 -12.523 326 2HD2 ASN 42 2HD2 ASN 42 9.227 -4.143 -13.891 327 H TRP 43 H TRP 43 8.052 -5.278 -7.893 328 HA TRP 43 HA TRP 43 9.838 -4.030 -6.100 329 1HB TRP 43 2HB TRP 43 7.095 -5.214 -5.667 330 2HB TRP 43 1HB TRP 43 7.984 -4.370 -4.406 331 HD1 TRP 43 HD TRP 43 8.947 -2.343 -7.112 332 HE1 TRP 43 1HE TRP 43 7.349 -0.368 -7.522 333 HE3 TRP 43 3HE TRP 43 4.897 -3.995 -4.458 334 HZ2 TRP 43 2HZ TRP 43 4.730 0.394 -6.809 335 HZ3 TRP 43 3HZ TRP 43 2.887 -2.583 -4.375 336 HH2 TRP 43 HH TRP 43 2.807 -0.432 -5.528 337 H ILE 44 H ILE 44 8.569 -7.320 -6.262 338 HA ILE 44 HA ILE 44 9.674 -8.247 -3.844 339 HB ILE 44 HB ILE 44 8.783 -9.675 -6.342 340 1HG1 ILE 44 2HG1 ILE 44 7.107 -10.626 -4.710 341 2HG1 ILE 44 1HG1 ILE 44 7.736 -9.505 -3.514 342 1HG2 ILE 44 1HG2 ILE 44 10.633 -10.976 -5.451 343 2HG2 ILE 44 2HG2 ILE 44 9.102 -11.813 -5.197 344 3HG2 ILE 44 3HG2 ILE 44 9.884 -10.975 -3.857 345 1HD1 ILE 44 1HD1 ILE 44 6.419 -8.767 -6.114 346 2HD1 ILE 44 2HD1 ILE 44 7.067 -7.632 -4.928 347 3HD1 ILE 44 3HD1 ILE 44 5.701 -8.668 -4.507 348 H ILE 45 H ILE 45 10.883 -8.293 -7.161 349 HA ILE 45 HA ILE 45 13.197 -9.833 -6.586 350 HB ILE 45 HB ILE 45 12.684 -8.017 -8.950 351 1HG1 ILE 45 2HG1 ILE 45 12.197 -10.991 -8.643 352 2HG1 ILE 45 1HG1 ILE 45 10.942 -9.754 -8.616 353 1HG2 ILE 45 1HG2 ILE 45 14.626 -10.304 -8.609 354 2HG2 ILE 45 2HG2 ILE 45 15.037 -8.595 -8.738 355 3HG2 ILE 45 3HG2 ILE 45 14.322 -9.436 -10.114 356 1HD1 ILE 45 1HD1 ILE 45 12.753 -10.354 -10.944 357 2HD1 ILE 45 2HD1 ILE 45 11.457 -9.158 -10.915 358 3HD1 ILE 45 3HD1 ILE 45 11.078 -10.874 -10.779 359 H LYS 46 H LYS 46 12.541 -6.371 -6.593 360 HA LYS 46 HA LYS 46 15.375 -5.758 -6.431 361 1HB LYS 46 2HB LYS 46 13.791 -4.358 -7.747 362 2HB LYS 46 1HB LYS 46 13.029 -3.871 -6.238 363 1HG LYS 46 2HG LYS 46 15.091 -2.841 -5.496 364 2HG LYS 46 1HG LYS 46 15.913 -3.390 -6.958 365 1HD LYS 46 2HD LYS 46 14.279 -2.062 -8.288 366 2HD LYS 46 1HD LYS 46 13.643 -1.418 -6.776 367 1HE LYS 46 2HE LYS 46 15.227 0.143 -7.755 368 2HE LYS 46 1HE LYS 46 15.845 -0.499 -6.236 369 1HZ LYS 46 1HZ LYS 46 17.550 -0.405 -7.961 370 2HZ LYS 46 2HZ LYS 46 16.639 -1.448 -8.940 371 3HZ LYS 46 3HZ LYS 46 17.266 -2.000 -7.463 372 H TYR 47 H TYR 47 12.522 -5.523 -4.310 373 HA TYR 47 HA TYR 47 14.171 -4.289 -2.253 374 1HB TYR 47 2HB TYR 47 11.207 -4.775 -2.456 375 2HB TYR 47 1HB TYR 47 11.975 -4.089 -1.030 376 HD1 TYR 47 1HD TYR 47 13.041 -1.864 -1.147 377 HD2 TYR 47 2HD TYR 47 10.864 -3.466 -4.433 378 HE1 TYR 47 1HE TYR 47 12.883 0.383 -2.131 379 HE2 TYR 47 2HE TYR 47 10.711 -1.224 -5.429 380 HH TYR 47 HH TYR 47 12.562 1.399 -4.357 381 H GLY 48 H GLY 48 12.432 -7.350 -2.730 382 1HA GLY 48 2HA GLY 48 13.079 -8.039 0.064 383 2HA GLY 48 1HA GLY 48 11.793 -8.766 -0.878 384 H SER 49 H SER 49 14.861 -8.334 -2.419 385 HA SER 49 HA SER 49 15.033 -11.217 -2.654 386 1HB SER 49 2HB SER 49 16.932 -10.588 -4.261 387 2HB SER 49 1HB SER 49 15.294 -10.110 -4.714 388 HG SER 49 HG SER 49 16.159 -8.201 -4.880 389 H ASN 50 H ASN 50 17.325 -8.613 -1.808 390 HA ASN 50 HA ASN 50 19.320 -8.609 -0.718 391 1HB ASN 50 2HB ASN 50 18.166 -9.396 1.257 392 2HB ASN 50 1HB ASN 50 18.164 -11.051 0.655 393 1HD2 ASN 50 1HD2 ASN 50 19.206 -11.780 2.519 394 2HD2 ASN 50 2HD2 ASN 50 20.888 -11.495 2.803 395 H HIS 51 H HIS 51 18.838 -12.101 -0.938 396 HA HIS 51 HA HIS 51 19.792 -13.743 -2.145 397 1HB HIS 51 2HB HIS 51 19.128 -12.140 -4.022 398 2HB HIS 51 1HB HIS 51 20.821 -11.662 -4.065 399 HD1 HIS 51 1HD HIS 51 22.164 -12.916 -5.723 400 HD2 HIS 51 2HD HIS 51 18.918 -15.128 -4.357 401 HE1 HIS 51 1HE HIS 51 22.194 -15.057 -7.043 402 HE2 HIS 51 2HE HIS 51 20.339 -16.456 -6.060 403 H ASN 52 H ASN 52 22.236 -11.304 -3.004 404 HA ASN 52 HA ASN 52 24.181 -12.878 -1.492 405 1HB ASN 52 2HB ASN 52 25.759 -12.456 -3.354 406 2HB ASN 52 1HB ASN 52 24.410 -13.475 -3.812 407 1HD2 ASN 52 1HD2 ASN 52 25.997 -10.433 -4.238 408 2HD2 ASN 52 2HD2 ASN 52 25.039 -9.893 -5.573 409 H VAL 53 H VAL 53 22.732 -10.097 -1.321 410 HA VAL 53 HA VAL 53 24.882 -8.208 -1.386 411 HB VAL 53 HB VAL 53 22.188 -8.019 -0.016 412 1HG1 VAL 53 1HG1 VAL 53 22.600 -5.594 0.036 413 2HG1 VAL 53 2HG1 VAL 53 24.229 -5.867 -0.579 414 3HG1 VAL 53 3HG1 VAL 53 23.774 -6.481 1.011 415 1HG2 VAL 53 1HG2 VAL 53 23.151 -6.917 -2.653 416 2HG2 VAL 53 2HG2 VAL 53 21.567 -6.632 -1.932 417 3HG2 VAL 53 3HG2 VAL 53 22.030 -8.258 -2.437 418 H GLN 54 H GLN 54 23.131 -9.802 1.254 419 HA GLN 54 HA GLN 54 23.660 -10.303 3.394 420 1HB GLN 54 2HB GLN 54 26.475 -10.361 2.296 421 2HB GLN 54 1HB GLN 54 25.901 -11.161 3.753 422 1HG GLN 54 2HG GLN 54 24.705 -12.751 2.575 423 2HG GLN 54 1HG GLN 54 24.647 -11.764 1.117 424 1HE2 GLN 54 1HE2 GLN 54 26.487 -11.601 -0.173 425 2HE2 GLN 54 2HE2 GLN 54 27.727 -12.792 -0.118 426 H GLY 55 H GLY 55 25.713 -9.784 5.078 427 1HA GLY 55 2HA GLY 55 26.113 -6.858 5.011 428 2HA GLY 55 1HA GLY 55 25.564 -7.665 6.473 429 H THR 56 H THR 56 27.775 -9.292 4.438 430 HA THR 56 HA THR 56 30.081 -8.551 6.052 431 HB THR 56 HB THR 56 30.614 -11.075 6.204 432 HG1 THR 56 1HG THR 56 28.979 -11.957 5.004 433 1HG2 THR 56 1HG2 THR 56 28.419 -9.914 7.921 434 2HG2 THR 56 2HG2 THR 56 30.150 -9.687 8.162 435 3HG2 THR 56 3HG2 THR 56 29.437 -11.290 8.341 436 H THR 57 H THR 57 31.047 -7.689 4.263 437 HA THR 57 HA THR 57 31.216 -9.101 1.772 438 HB THR 57 HB THR 57 32.789 -6.661 2.631 439 HG1 THR 57 1HG THR 57 31.027 -5.492 1.694 440 1HG2 THR 57 1HG2 THR 57 31.935 -7.654 -0.097 441 2HG2 THR 57 2HG2 THR 57 33.568 -7.746 0.567 442 3HG2 THR 57 3HG2 THR 57 32.836 -6.176 0.230 443 HA PRO 58 HA PRO 58 34.883 -11.405 3.059 444 1HB PRO 58 2HB PRO 58 34.704 -12.549 0.370 445 2HB PRO 58 1HB PRO 58 34.560 -13.352 1.935 446 1HG PRO 58 2HG PRO 58 32.451 -13.021 0.277 447 2HG PRO 58 1HG PRO 58 32.284 -13.024 2.042 448 1HD PRO 58 2HD PRO 58 32.361 -10.703 0.148 449 2HD PRO 58 1HD PRO 58 31.323 -10.965 1.565 450 H SER 59 H SER 59 37.077 -11.368 2.432 451 HA SER 59 HA SER 59 37.920 -8.965 1.255 452 1HB SER 59 2HB SER 59 39.588 -11.456 1.638 453 2HB SER 59 1HB SER 59 40.159 -9.789 1.561 454 HG SER 59 HG SER 59 38.711 -11.087 3.610 455 H ALA 60 H ALA 60 37.610 -12.217 -0.060 456 HA ALA 60 HA ALA 60 38.961 -11.670 -2.505 457 1HB ALA 60 1HB ALA 60 38.035 -13.802 -3.264 458 2HB ALA 60 2HB ALA 60 36.978 -13.849 -1.854 459 3HB ALA 60 3HB ALA 60 38.726 -13.944 -1.648 460 H ALA 61 H ALA 61 35.830 -10.960 -1.330 461 HA ALA 61 HA ALA 61 34.704 -10.684 -4.010 462 1HB ALA 61 1HB ALA 61 33.391 -10.345 -1.314 463 2HB ALA 61 2HB ALA 61 33.337 -11.790 -2.321 464 3HB ALA 61 3HB ALA 61 32.573 -10.302 -2.876 465 H VAL 62 H VAL 62 36.687 -8.854 -2.291 466 HA VAL 62 HA VAL 62 35.349 -6.367 -2.113 467 HB VAL 62 HB VAL 62 37.512 -7.045 -0.961 468 1HG1 VAL 62 1HG1 VAL 62 39.605 -6.469 -2.077 469 2HG1 VAL 62 2HG1 VAL 62 38.722 -6.178 -3.573 470 3HG1 VAL 62 3HG1 VAL 62 38.773 -7.799 -2.879 471 1HG2 VAL 62 1HG2 VAL 62 38.358 -4.735 -0.880 472 2HG2 VAL 62 2HG2 VAL 62 36.600 -4.807 -0.760 473 3HG2 VAL 62 3HG2 VAL 62 37.361 -4.341 -2.282 474 H SER 63 H SER 63 37.227 -7.923 -4.602 475 HA SER 63 HA SER 63 37.219 -5.771 -6.452 476 1HB SER 63 2HB SER 63 37.461 -8.746 -6.976 477 2HB SER 63 1HB SER 63 37.887 -7.459 -8.103 478 HG SER 63 HG SER 63 39.783 -7.699 -7.203 479 H GLU 64 H GLU 64 35.069 -8.456 -5.782 480 HA GLU 64 HA GLU 64 33.378 -8.239 -8.016 481 1HB GLU 64 2HB GLU 64 33.501 -10.157 -6.376 482 2HB GLU 64 1HB GLU 64 32.619 -9.155 -5.235 483 1HG GLU 64 2HG GLU 64 31.051 -10.601 -6.222 484 2HG GLU 64 1HG GLU 64 30.785 -9.013 -6.941 485 H ALA 65 H ALA 65 33.437 -6.675 -4.907 486 HA ALA 65 HA ALA 65 30.911 -5.420 -5.047 487 1HB ALA 65 1HB ALA 65 32.137 -5.761 -2.948 488 2HB ALA 65 2HB ALA 65 31.663 -4.078 -3.176 489 3HB ALA 65 3HB ALA 65 33.331 -4.569 -3.463 490 H GLU 66 H GLU 66 33.988 -4.656 -6.427 491 HA GLU 66 HA GLU 66 33.608 -1.880 -6.812 492 1HB GLU 66 2HB GLU 66 35.772 -3.256 -7.026 493 2HB GLU 66 1HB GLU 66 35.215 -3.647 -8.648 494 1HG GLU 66 2HG GLU 66 36.726 -1.822 -8.811 495 2HG GLU 66 1HG GLU 66 35.104 -1.202 -9.120 496 H GLN 67 H GLN 67 32.826 -4.735 -8.765 497 HA GLN 67 HA GLN 67 31.648 -3.132 -10.846 498 1HB GLN 67 2HB GLN 67 31.602 -6.106 -10.339 499 2HB GLN 67 1HB GLN 67 30.756 -5.345 -11.679 500 1HG GLN 67 2HG GLN 67 32.691 -5.946 -12.707 501 2HG GLN 67 1HG GLN 67 33.109 -4.317 -12.179 502 1HE2 GLN 67 1HE2 GLN 67 32.873 -7.165 -10.145 503 2HE2 GLN 67 2HE2 GLN 67 34.555 -7.240 -9.726 504 H ILE 68 H ILE 68 30.566 -4.738 -7.947 505 HA ILE 68 HA ILE 68 27.790 -4.698 -8.488 506 HB ILE 68 HB ILE 68 29.284 -4.702 -5.857 507 1HG1 ILE 68 2HG1 ILE 68 29.601 -6.714 -7.218 508 2HG1 ILE 68 1HG1 ILE 68 28.628 -7.086 -5.802 509 1HG2 ILE 68 1HG2 ILE 68 27.076 -3.730 -5.510 510 2HG2 ILE 68 2HG2 ILE 68 27.168 -5.339 -4.787 511 3HG2 ILE 68 3HG2 ILE 68 26.326 -5.106 -6.321 512 1HD1 ILE 68 1HD1 ILE 68 26.611 -7.001 -7.174 513 2HD1 ILE 68 2HD1 ILE 68 27.761 -8.201 -7.761 514 3HD1 ILE 68 3HD1 ILE 68 27.599 -6.651 -8.591 515 H ARG 69 H ARG 69 29.951 -2.288 -7.057 516 HA ARG 69 HA ARG 69 27.828 -0.483 -6.415 517 1HB ARG 69 2HB ARG 69 29.564 1.135 -5.946 518 2HB ARG 69 1HB ARG 69 30.031 -0.422 -5.284 519 1HG ARG 69 2HG ARG 69 31.342 -0.705 -7.490 520 2HG ARG 69 1HG ARG 69 31.154 1.043 -7.633 521 1HD ARG 69 2HD ARG 69 32.466 -0.471 -5.383 522 2HD ARG 69 1HD ARG 69 33.262 0.547 -6.579 523 HE ARG 69 HE ARG 69 31.291 1.728 -4.753 524 1HH1 ARG 69 1HH1 ARG 69 34.581 1.482 -5.928 525 2HH1 ARG 69 2HH1 ARG 69 35.143 2.852 -5.008 526 1HH2 ARG 69 1HH2 ARG 69 32.015 3.507 -3.540 527 2HH2 ARG 69 2HH2 ARG 69 33.678 4.015 -3.651 528 H GLN 70 H GLN 70 29.860 -1.036 -9.210 529 HA GLN 70 HA GLN 70 29.089 1.306 -10.639 530 1HB GLN 70 2HB GLN 70 31.135 -0.322 -10.896 531 2HB GLN 70 1HB GLN 70 30.047 -1.208 -11.946 532 1HG GLN 70 2HG GLN 70 30.676 1.696 -12.338 533 2HG GLN 70 1HG GLN 70 31.628 0.396 -13.043 534 1HE2 GLN 70 1HE2 GLN 70 28.661 2.167 -13.170 535 2HE2 GLN 70 2HE2 GLN 70 28.082 1.491 -14.650 536 H LEU 71 H LEU 71 28.171 -2.116 -10.813 537 HA LEU 71 HA LEU 71 26.456 -2.017 -12.979 538 1HB LEU 71 2HB LEU 71 27.328 -4.060 -11.826 539 2HB LEU 71 1HB LEU 71 26.158 -3.793 -10.553 540 HG LEU 71 HG LEU 71 25.204 -4.112 -13.378 541 1HD1 LEU 71 1HD1 LEU 71 25.075 -6.522 -13.047 542 2HD1 LEU 71 2HD1 LEU 71 25.889 -6.366 -11.490 543 3HD1 LEU 71 3HD1 LEU 71 26.751 -5.976 -12.981 544 1HD2 LEU 71 1HD2 LEU 71 23.613 -3.447 -11.621 545 2HD2 LEU 71 2HD2 LEU 71 24.041 -4.887 -10.699 546 3HD2 LEU 71 3HD2 LEU 71 23.247 -5.049 -12.264 547 H LYS 72 H LYS 72 25.753 -1.327 -9.579 548 HA LYS 72 HA LYS 72 22.934 -1.014 -10.034 549 1HB LYS 72 2HB LYS 72 24.582 -0.003 -7.714 550 2HB LYS 72 1HB LYS 72 22.832 -0.132 -7.766 551 1HG LYS 72 2HG LYS 72 23.127 -2.607 -8.050 552 2HG LYS 72 1HG LYS 72 24.840 -2.364 -7.701 553 1HD LYS 72 2HD LYS 72 22.482 -1.823 -5.907 554 2HD LYS 72 1HD LYS 72 23.803 -2.959 -5.647 555 1HE LYS 72 2HE LYS 72 24.106 0.038 -5.756 556 2HE LYS 72 1HE LYS 72 23.982 -0.903 -4.273 557 1HZ LYS 72 1HZ LYS 72 26.050 -1.825 -4.578 558 2HZ LYS 72 2HZ LYS 72 26.289 -0.250 -5.177 559 3HZ LYS 72 3HZ LYS 72 26.066 -1.542 -6.251 560 H LYS 73 H LYS 73 25.699 1.054 -10.320 561 HA LYS 73 HA LYS 73 26.028 3.287 -10.513 562 1HB LYS 73 2HB LYS 73 23.284 3.067 -11.752 563 2HB LYS 73 1HB LYS 73 24.118 4.607 -11.632 564 1HG LYS 73 2HG LYS 73 24.593 3.901 -13.783 565 2HG LYS 73 1HG LYS 73 26.033 3.432 -12.884 566 1HD LYS 73 2HD LYS 73 25.417 1.630 -14.345 567 2HD LYS 73 1HD LYS 73 25.094 1.142 -12.681 568 1HE LYS 73 2HE LYS 73 22.731 1.623 -12.974 569 2HE LYS 73 1HE LYS 73 23.029 2.194 -14.617 570 1HZ LYS 73 1HZ LYS 73 23.757 -0.016 -15.234 571 2HZ LYS 73 2HZ LYS 73 22.193 -0.092 -14.576 572 3HZ LYS 73 3HZ LYS 73 23.526 -0.569 -13.648 573 H GLU 74 H GLU 74 22.813 4.313 -10.242 574 HA GLU 74 HA GLU 74 22.443 4.117 -7.454 575 1HB GLU 74 2HB GLU 74 22.351 6.700 -7.161 576 2HB GLU 74 1HB GLU 74 23.888 5.867 -7.007 577 1HG GLU 74 2HG GLU 74 24.364 7.765 -8.260 578 2HG GLU 74 1HG GLU 74 24.276 6.467 -9.445 579 H ASN 75 H ASN 75 20.364 4.849 -6.817 580 HA ASN 75 HA ASN 75 18.573 5.040 -9.132 581 1HB ASN 75 2HB ASN 75 18.006 4.182 -6.288 582 2HB ASN 75 1HB ASN 75 16.777 4.341 -7.533 583 1HD2 ASN 75 1HD2 ASN 75 18.593 3.315 -9.622 584 2HD2 ASN 75 2HD2 ASN 75 18.688 1.609 -9.351 585 H ALA 76 H ALA 76 16.863 6.511 -9.164 586 HA ALA 76 HA ALA 76 17.494 9.089 -8.229 587 1HB ALA 76 1HB ALA 76 14.864 8.080 -9.308 588 2HB ALA 76 2HB ALA 76 16.205 8.690 -10.277 589 3HB ALA 76 3HB ALA 76 15.357 9.768 -9.171 590 H LEU 77 H LEU 77 15.552 6.526 -6.961 591 HA LEU 77 HA LEU 77 14.113 7.986 -5.019 592 1HB LEU 77 2HB LEU 77 14.979 5.092 -5.001 593 2HB LEU 77 1HB LEU 77 13.753 5.798 -3.973 594 HG LEU 77 HG LEU 77 13.590 5.556 -6.975 595 1HD1 LEU 77 1HD1 LEU 77 12.127 4.069 -4.797 596 2HD1 LEU 77 2HD1 LEU 77 13.383 3.407 -5.842 597 3HD1 LEU 77 3HD1 LEU 77 11.842 3.915 -6.531 598 1HD2 LEU 77 1HD2 LEU 77 12.440 7.544 -6.088 599 2HD2 LEU 77 2HD2 LEU 77 11.523 6.503 -4.997 600 3HD2 LEU 77 3HD2 LEU 77 11.316 6.351 -6.743 601 H GLN 78 H GLN 78 17.307 6.583 -5.113 602 HA GLN 78 HA GLN 78 17.835 6.894 -2.310 603 1HB GLN 78 2HB GLN 78 18.938 5.195 -3.773 604 2HB GLN 78 1HB GLN 78 19.767 6.501 -4.605 605 1HG GLN 78 2HG GLN 78 20.862 7.116 -2.487 606 2HG GLN 78 1HG GLN 78 20.071 5.747 -1.706 607 1HE2 GLN 78 1HE2 GLN 78 22.919 6.267 -2.015 608 2HE2 GLN 78 2HE2 GLN 78 23.558 4.925 -2.896 609 H ARG 79 H ARG 79 18.047 8.824 -5.161 610 HA ARG 79 HA ARG 79 19.954 10.711 -4.248 611 1HB ARG 79 2HB ARG 79 19.274 10.323 -6.649 612 2HB ARG 79 1HB ARG 79 17.780 11.175 -6.285 613 1HG ARG 79 2HG ARG 79 19.102 12.810 -7.246 614 2HG ARG 79 1HG ARG 79 19.315 13.098 -5.518 615 1HD ARG 79 2HD ARG 79 21.200 11.552 -7.294 616 2HD ARG 79 1HD ARG 79 21.440 13.206 -6.742 617 HE ARG 79 HE ARG 79 21.247 11.954 -4.421 618 1HH1 ARG 79 1HH1 ARG 79 22.983 11.029 -7.320 619 2HH1 ARG 79 2HH1 ARG 79 24.247 10.199 -6.452 620 1HH2 ARG 79 1HH2 ARG 79 22.902 10.878 -3.272 621 2HH2 ARG 79 2HH2 ARG 79 24.203 10.130 -4.152 622 H ALA 80 H ALA 80 16.593 10.265 -3.719 623 HA ALA 80 HA ALA 80 15.917 12.913 -2.962 624 1HB ALA 80 1HB ALA 80 14.237 11.255 -3.615 625 2HB ALA 80 2HB ALA 80 13.890 11.938 -2.027 626 3HB ALA 80 3HB ALA 80 14.594 10.326 -2.160 627 H ARG 81 H ARG 81 17.520 10.324 -1.386 628 HA ARG 81 HA ARG 81 17.245 11.337 1.293 629 1HB ARG 81 2HB ARG 81 18.658 9.102 -0.048 630 2HB ARG 81 1HB ARG 81 19.361 9.688 1.452 631 1HG ARG 81 2HG ARG 81 16.474 8.889 1.205 632 2HG ARG 81 1HG ARG 81 17.756 7.762 1.659 633 1HD ARG 81 2HD ARG 81 16.966 10.288 3.106 634 2HD ARG 81 1HD ARG 81 16.688 8.634 3.649 635 HE ARG 81 HE ARG 81 19.355 8.678 3.375 636 1HH1 ARG 81 1HH1 ARG 81 17.151 10.868 5.005 637 2HH1 ARG 81 2HH1 ARG 81 18.347 11.403 6.154 638 1HH2 ARG 81 1HH2 ARG 81 20.910 9.379 4.858 639 2HH2 ARG 81 2HH2 ARG 81 20.492 10.553 6.074 640 H THR 82 H THR 82 19.006 12.209 -1.392 641 HA THR 82 HA THR 82 21.315 13.192 0.083 642 HB THR 82 HB THR 82 20.825 13.418 -2.883 643 HG1 THR 82 1HG THR 82 21.170 11.202 -1.467 644 1HG2 THR 82 1HG2 THR 82 23.279 13.578 -2.977 645 2HG2 THR 82 2HG2 THR 82 23.346 13.487 -1.217 646 3HG2 THR 82 3HG2 THR 82 22.581 14.869 -2.000 647 H ARG 83 H ARG 83 19.638 14.728 -2.613 648 HA ARG 83 HA ARG 83 19.453 17.167 -0.997 649 1HB ARG 83 2HB ARG 83 20.522 16.790 -3.770 650 2HB ARG 83 1HB ARG 83 19.933 18.344 -3.226 651 1HG ARG 83 2HG ARG 83 22.119 16.796 -1.860 652 2HG ARG 83 1HG ARG 83 22.390 18.074 -3.048 653 1HD ARG 83 2HD ARG 83 20.977 18.361 -0.399 654 2HD ARG 83 1HD ARG 83 22.594 18.951 -0.791 655 HE ARG 83 HE ARG 83 21.008 20.123 -2.666 656 1HH1 ARG 83 1HH1 ARG 83 20.912 20.007 0.834 657 2HH1 ARG 83 2HH1 ARG 83 20.159 21.563 0.981 658 1HH2 ARG 83 1HH2 ARG 83 20.006 22.135 -2.483 659 2HH2 ARG 83 2HH2 ARG 83 19.633 22.786 -0.909 660 H HIS 84 H HIS 84 17.536 17.977 -0.911 661 HA HIS 84 HA HIS 84 15.460 18.709 -1.386 662 1HB HIS 84 2HB HIS 84 16.511 19.691 -3.366 663 2HB HIS 84 1HB HIS 84 16.232 18.204 -4.261 664 HD1 HIS 84 1HD HIS 84 14.326 21.047 -2.653 665 HD2 HIS 84 2HD HIS 84 13.748 17.997 -5.426 666 HE1 HIS 84 1HE HIS 84 12.070 21.483 -3.683 667 HE2 HIS 84 2HE HIS 84 11.665 19.526 -5.216 668 HA PRO 85 HA PRO 85 13.355 14.726 -1.647 669 1HB PRO 85 2HB PRO 85 11.570 15.755 0.363 670 2HB PRO 85 1HB PRO 85 12.768 14.472 0.520 671 1HG PRO 85 2HG PRO 85 12.936 16.917 1.771 672 2HG PRO 85 1HG PRO 85 14.322 15.870 1.417 673 1HD PRO 85 2HD PRO 85 13.345 18.287 -0.051 674 2HD PRO 85 1HD PRO 85 15.008 17.758 0.280 675 H ALA 86 H ALA 86 10.651 14.675 -1.258 676 HA ALA 86 HA ALA 86 9.708 15.990 -3.637 677 1HB ALA 86 1HB ALA 86 8.200 14.285 -1.663 678 2HB ALA 86 2HB ALA 86 9.042 13.692 -3.093 679 3HB ALA 86 3HB ALA 86 7.648 14.756 -3.271 680 H GLU 87 H GLU 87 9.755 18.192 -3.152 681 HA GLU 87 HA GLU 87 8.627 19.295 -0.793 682 1HB GLU 87 2HB GLU 87 10.421 20.356 -2.190 683 2HB GLU 87 1HB GLU 87 9.197 20.715 -3.399 684 1HG GLU 87 2HG GLU 87 8.023 22.140 -1.852 685 2HG GLU 87 1HG GLU 87 9.139 21.704 -0.558 686 H SER 88 H SER 88 7.351 18.521 -3.939 687 HA SER 88 HA SER 88 5.046 20.164 -3.814 688 1HB SER 88 2HB SER 88 6.052 19.041 -5.887 689 2HB SER 88 1HB SER 88 5.218 17.577 -5.363 690 HG SER 88 HG SER 88 3.869 20.048 -5.646 691 H CYS 89 H CYS 89 5.841 17.068 -2.466 692 HA CYS 89 HA CYS 89 3.149 16.333 -1.834 693 1HB CYS 89 2HB CYS 89 5.760 15.334 -0.678 694 2HB CYS 89 1HB CYS 89 4.185 14.586 -0.436 695 HG CYS 89 HG CYS 89 4.718 12.906 -2.334 696 H LEU 90 H LEU 90 5.582 18.311 -0.428 697 HA LEU 90 HA LEU 90 4.404 18.494 2.180 698 1HB LEU 90 2HB LEU 90 6.210 20.527 0.880 699 2HB LEU 90 1HB LEU 90 5.963 20.254 2.595 700 HG LEU 90 HG LEU 90 7.328 18.349 0.700 701 1HD1 LEU 90 1HD1 LEU 90 8.465 20.131 2.854 702 2HD1 LEU 90 2HD1 LEU 90 8.644 20.365 1.116 703 3HD1 LEU 90 3HD1 LEU 90 9.369 18.960 1.896 704 1HD2 LEU 90 1HD2 LEU 90 6.184 17.193 2.516 705 2HD2 LEU 90 2HD2 LEU 90 6.978 18.238 3.695 706 3HD2 LEU 90 3HD2 LEU 90 7.934 17.117 2.724 707 H GLU 91 H GLU 91 4.278 20.281 -0.840 708 HA GLU 91 HA GLU 91 2.581 22.385 -0.107 709 1HB GLU 91 2HB GLU 91 2.405 20.858 -2.707 710 2HB GLU 91 1HB GLU 91 1.909 22.514 -2.419 711 1HG GLU 91 2HG GLU 91 4.254 23.133 -2.078 712 2HG GLU 91 1HG GLU 91 4.725 21.470 -2.441 713 H HIS 92 H HIS 92 1.997 19.017 -0.676 714 HA HIS 92 HA HIS 92 0.170 17.684 -0.774 715 1HB HIS 92 2HB HIS 92 -0.287 18.931 1.454 716 2HB HIS 92 1HB HIS 92 -1.460 19.863 0.530 717 HD1 HIS 92 1HD HIS 92 -0.847 16.468 1.976 718 HD2 HIS 92 2HD HIS 92 -3.790 18.467 -0.190 719 HE1 HIS 92 1HE HIS 92 -2.884 14.997 2.070 720 HE2 HIS 92 2HE HIS 92 -4.631 16.183 0.694 721 H HIS 93 H HIS 93 0.865 19.024 -2.943 722 HA HIS 93 HA HIS 93 -0.840 20.789 -4.210 723 1HB HIS 93 2HB HIS 93 1.501 19.633 -4.838 724 2HB HIS 93 1HB HIS 93 0.442 18.656 -5.844 725 HD1 HIS 93 1HD HIS 93 2.453 21.571 -5.992 726 HD2 HIS 93 2HD HIS 93 -1.276 20.521 -7.533 727 HE1 HIS 93 1HE HIS 93 2.047 23.129 -7.928 728 HE2 HIS 93 2HE HIS 93 -0.240 22.532 -8.803 729 H HIS 94 H HIS 94 -2.941 20.592 -4.668 730 HA HIS 94 HA HIS 94 -4.158 17.959 -4.637 731 1HB HIS 94 2HB HIS 94 -5.164 19.824 -3.371 732 2HB HIS 94 1HB HIS 94 -5.424 20.697 -4.875 733 HD1 HIS 94 1HD HIS 94 -6.988 18.309 -2.609 734 HD2 HIS 94 2HD HIS 94 -7.398 19.382 -6.611 735 HE1 HIS 94 1HE HIS 94 -9.225 17.405 -3.335 736 HE2 HIS 94 2HE HIS 94 -9.420 17.999 -5.781 737 H HIS 95 H HIS 95 -3.907 20.683 -6.923 738 HA HIS 95 HA HIS 95 -5.601 19.403 -8.836 739 1HB HIS 95 2HB HIS 95 -5.248 21.922 -8.544 740 2HB HIS 95 1HB HIS 95 -3.743 21.696 -9.431 741 HD1 HIS 95 1HD HIS 95 -3.962 20.991 -11.975 742 HD2 HIS 95 2HD HIS 95 -7.554 21.890 -10.069 743 HE1 HIS 95 1HE HIS 95 -5.661 21.257 -13.807 744 HE2 HIS 95 2HE HIS 95 -7.782 21.969 -12.646 745 H HIS 96 H HIS 96 -5.079 17.862 -10.169 746 HA HIS 96 HA HIS 96 -2.534 17.948 -11.584 747 1HB HIS 96 2HB HIS 96 -3.499 15.586 -9.973 748 2HB HIS 96 1HB HIS 96 -2.422 15.384 -11.349 749 HD1 HIS 96 1HD HIS 96 -0.005 16.402 -11.117 750 HD2 HIS 96 2HD HIS 96 -2.296 16.429 -7.641 751 HE1 HIS 96 1HE HIS 96 1.612 16.814 -9.235 752 HE2 HIS 96 2HE HIS 96 0.236 16.592 -7.132 753 H HIS 97 H HIS 97 -2.658 17.047 -13.651 754 HA HIS 97 HA HIS 97 -4.870 15.472 -14.512 755 1HB HIS 97 2HB HIS 97 -5.911 17.762 -14.448 756 2HB HIS 97 1HB HIS 97 -4.719 18.284 -15.633 757 HD1 HIS 97 1HD HIS 97 -4.859 17.008 -18.010 758 HD2 HIS 97 2HD HIS 97 -8.150 16.625 -15.501 759 HE1 HIS 97 1HE HIS 97 -6.746 16.236 -19.483 760 HE2 HIS 97 2HE HIS 97 -8.771 16.174 -17.975 Start of MODEL 4 1 1H MET 1 1HT MET 1 7.279 21.943 -2.536 2 2H MET 1 2HT MET 1 6.083 22.839 -3.337 3 3H MET 1 3HT MET 1 6.373 21.230 -3.782 4 HA MET 1 HA MET 1 5.337 22.131 -1.163 5 1HB MET 1 2HB MET 1 3.706 22.396 -2.988 6 2HB MET 1 1HB MET 1 3.954 20.722 -3.456 7 1HG MET 1 2HG MET 1 3.105 20.006 -1.258 8 2HG MET 1 1HG MET 1 2.784 21.694 -0.862 9 1HE MET 1 1HE MET 1 0.566 19.400 -0.695 10 2HE MET 1 2HE MET 1 -0.813 20.248 -1.398 11 3HE MET 1 3HE MET 1 0.273 21.097 -0.298 12 HA PRO 2 HA PRO 2 6.986 18.154 0.037 13 1HB PRO 2 2HB PRO 2 5.560 18.592 2.554 14 2HB PRO 2 1HB PRO 2 7.297 18.484 2.261 15 1HG PRO 2 2HG PRO 2 6.079 20.799 2.937 16 2HG PRO 2 1HG PRO 2 7.505 20.744 1.884 17 1HD PRO 2 2HD PRO 2 4.615 21.058 1.149 18 2HD PRO 2 1HD PRO 2 6.042 21.890 0.491 19 H THR 3 H THR 3 6.196 16.100 0.089 20 HA THR 3 HA THR 3 3.425 15.601 0.734 21 HB THR 3 HB THR 3 3.253 16.226 -1.638 22 HG1 THR 3 1HG THR 3 2.228 14.263 -2.336 23 1HG2 THR 3 1HG2 THR 3 5.121 13.909 -2.139 24 2HG2 THR 3 2HG2 THR 3 5.514 15.613 -2.358 25 3HG2 THR 3 3HG2 THR 3 4.292 14.851 -3.376 26 H LYS 4 H LYS 4 2.950 13.193 0.451 27 HA LYS 4 HA LYS 4 5.251 11.457 0.584 28 1HB LYS 4 2HB LYS 4 5.234 12.194 2.872 29 2HB LYS 4 1HB LYS 4 3.505 11.920 3.005 30 1HG LYS 4 2HG LYS 4 4.930 10.205 4.121 31 2HG LYS 4 1HG LYS 4 3.783 9.566 2.947 32 1HD LYS 4 2HD LYS 4 5.541 9.322 1.301 33 2HD LYS 4 1HD LYS 4 6.708 10.081 2.384 34 1HE LYS 4 2HE LYS 4 6.860 7.601 2.328 35 2HE LYS 4 1HE LYS 4 6.549 8.260 3.934 36 1HZ LYS 4 1HZ LYS 4 4.402 7.239 2.157 37 2HZ LYS 4 2HZ LYS 4 4.289 7.628 3.806 38 3HZ LYS 4 3HZ LYS 4 5.186 6.279 3.315 39 H THR 5 H THR 5 4.656 9.970 -0.785 40 HA THR 5 HA THR 5 1.890 9.045 -0.870 41 HB THR 5 HB THR 5 2.833 9.726 -3.001 42 HG1 THR 5 1HG THR 5 1.530 7.635 -2.746 43 1HG2 THR 5 1HG2 THR 5 5.196 9.382 -2.503 44 2HG2 THR 5 2HG2 THR 5 4.742 8.598 -4.016 45 3HG2 THR 5 3HG2 THR 5 4.958 7.637 -2.551 46 H TYR 6 H TYR 6 3.189 6.525 -2.161 47 HA TYR 6 HA TYR 6 2.773 4.739 -0.101 48 1HB TYR 6 2HB TYR 6 3.948 3.086 -1.487 49 2HB TYR 6 1HB TYR 6 2.874 4.083 -2.460 50 HD1 TYR 6 1HD TYR 6 6.406 3.451 -1.597 51 HD2 TYR 6 2HD TYR 6 3.731 5.470 -4.215 52 HE1 TYR 6 1HE TYR 6 8.283 4.004 -3.076 53 HE2 TYR 6 2HE TYR 6 5.607 6.030 -5.705 54 HH TYR 6 HH TYR 6 8.126 6.305 -5.478 55 H SER 7 H SER 7 4.227 3.351 1.054 56 HA SER 7 HA SER 7 6.752 4.664 1.794 57 1HB SER 7 2HB SER 7 5.161 2.666 3.421 58 2HB SER 7 1HB SER 7 6.537 3.627 3.967 59 HG SER 7 HG SER 7 4.331 4.388 4.522 60 H GLU 8 H GLU 8 8.556 3.203 2.361 61 HA GLU 8 HA GLU 8 8.957 1.122 0.492 62 1HB GLU 8 2HB GLU 8 10.394 1.666 3.100 63 2HB GLU 8 1HB GLU 8 10.948 0.544 1.866 64 1HG GLU 8 2HG GLU 8 11.009 2.484 0.274 65 2HG GLU 8 1HG GLU 8 10.714 3.533 1.660 66 H GLU 9 H GLU 9 7.847 1.183 3.809 67 HA GLU 9 HA GLU 9 7.746 -1.542 4.377 68 1HB GLU 9 2HB GLU 9 7.349 0.308 5.994 69 2HB GLU 9 1HB GLU 9 5.795 0.607 5.233 70 1HG GLU 9 2HG GLU 9 5.137 -1.721 5.834 71 2HG GLU 9 1HG GLU 9 6.639 -1.847 6.749 72 H PHE 10 H PHE 10 5.510 0.537 2.628 73 HA PHE 10 HA PHE 10 3.389 -1.327 2.435 74 1HB PHE 10 2HB PHE 10 3.097 1.117 2.126 75 2HB PHE 10 1HB PHE 10 4.004 1.020 0.620 76 HD1 PHE 10 1HD PHE 10 2.967 0.353 -1.388 77 HD2 PHE 10 2HD PHE 10 0.894 -0.026 2.307 78 HE1 PHE 10 1HE PHE 10 0.885 -0.105 -2.608 79 HE2 PHE 10 2HE PHE 10 -1.195 -0.492 1.090 80 HZ PHE 10 HZ PHE 10 -1.199 -0.530 -1.372 81 H LYS 11 H LYS 11 5.932 -0.388 0.127 82 HA LYS 11 HA LYS 11 5.260 -2.216 -1.889 83 1HB LYS 11 2HB LYS 11 7.969 -1.065 -1.179 84 2HB LYS 11 1HB LYS 11 7.566 -1.853 -2.699 85 1HG LYS 11 2HG LYS 11 5.827 -0.085 -3.053 86 2HG LYS 11 1HG LYS 11 6.478 0.745 -1.638 87 1HD LYS 11 2HD LYS 11 8.176 -0.017 -4.007 88 2HD LYS 11 1HD LYS 11 7.331 1.525 -3.896 89 1HE LYS 11 2HE LYS 11 8.544 2.091 -1.901 90 2HE LYS 11 1HE LYS 11 9.312 0.508 -1.885 91 1HZ LYS 11 1HZ LYS 11 10.629 1.033 -3.694 92 2HZ LYS 11 2HZ LYS 11 10.598 2.500 -2.845 93 3HZ LYS 11 3HZ LYS 11 9.618 2.291 -4.214 94 H ARG 12 H ARG 12 7.131 -2.533 1.033 95 HA ARG 12 HA ARG 12 8.248 -5.092 0.475 96 1HB ARG 12 2HB ARG 12 8.868 -3.279 2.261 97 2HB ARG 12 1HB ARG 12 7.652 -4.086 3.239 98 1HG ARG 12 2HG ARG 12 8.904 -6.200 2.976 99 2HG ARG 12 1HG ARG 12 10.161 -5.305 2.112 100 1HD ARG 12 2HD ARG 12 10.171 -3.767 4.176 101 2HD ARG 12 1HD ARG 12 9.322 -5.086 4.981 102 HE ARG 12 HE ARG 12 11.967 -5.446 3.714 103 1HH1 ARG 12 1HH1 ARG 12 9.730 -5.965 6.376 104 2HH1 ARG 12 2HH1 ARG 12 10.925 -6.744 7.378 105 1HH2 ARG 12 1HH2 ARG 12 13.525 -6.473 5.055 106 2HH2 ARG 12 2HH2 ARG 12 13.051 -7.031 6.636 107 H ASP 13 H ASP 13 5.376 -3.931 2.161 108 HA ASP 13 HA ASP 13 4.427 -6.411 3.106 109 1HB ASP 13 2HB ASP 13 3.693 -4.136 3.882 110 2HB ASP 13 1HB ASP 13 2.776 -3.979 2.391 111 H ALA 14 H ALA 14 3.930 -4.661 0.094 112 HA ALA 14 HA ALA 14 1.926 -6.245 -1.036 113 1HB ALA 14 1HB ALA 14 2.704 -5.384 -3.186 114 2HB ALA 14 2HB ALA 14 4.183 -4.805 -2.420 115 3HB ALA 14 3HB ALA 14 2.625 -4.105 -1.975 116 H VAL 15 H VAL 15 5.420 -6.673 -0.928 117 HA VAL 15 HA VAL 15 5.530 -8.928 -2.625 118 HB VAL 15 HB VAL 15 7.390 -8.288 -0.332 119 1HG1 VAL 15 1HG1 VAL 15 7.815 -9.941 -2.821 120 2HG1 VAL 15 2HG1 VAL 15 7.653 -10.562 -1.178 121 3HG1 VAL 15 3HG1 VAL 15 9.045 -9.568 -1.613 122 1HG2 VAL 15 1HG2 VAL 15 8.785 -7.178 -2.035 123 2HG2 VAL 15 2HG2 VAL 15 7.228 -6.381 -1.811 124 3HG2 VAL 15 3HG2 VAL 15 7.496 -7.413 -3.216 125 H ALA 16 H ALA 16 5.157 -8.589 0.875 126 HA ALA 16 HA ALA 16 5.172 -11.344 1.504 127 1HB ALA 16 1HB ALA 16 3.912 -9.032 2.982 128 2HB ALA 16 2HB ALA 16 5.557 -9.633 3.195 129 3HB ALA 16 3HB ALA 16 4.183 -10.644 3.644 130 H LEU 17 H LEU 17 2.630 -9.112 0.572 131 HA LEU 17 HA LEU 17 0.443 -10.839 1.023 132 1HB LEU 17 2HB LEU 17 0.238 -8.404 0.685 133 2HB LEU 17 1HB LEU 17 0.747 -8.596 -0.979 134 HG LEU 17 HG LEU 17 -1.277 -9.891 -1.465 135 1HD1 LEU 17 1HD1 LEU 17 -1.638 -10.888 0.723 136 2HD1 LEU 17 2HD1 LEU 17 -3.080 -10.031 0.177 137 3HD1 LEU 17 3HD1 LEU 17 -2.029 -9.306 1.394 138 1HD2 LEU 17 1HD2 LEU 17 -1.831 -7.248 -0.125 139 2HD2 LEU 17 2HD2 LEU 17 -2.878 -8.059 -1.292 140 3HD2 LEU 17 3HD2 LEU 17 -1.289 -7.477 -1.787 141 H TYR 18 H TYR 18 2.481 -10.222 -1.807 142 HA TYR 18 HA TYR 18 1.073 -11.900 -3.586 143 1HB TYR 18 2HB TYR 18 2.517 -10.322 -4.577 144 2HB TYR 18 1HB TYR 18 3.887 -10.836 -3.596 145 HD1 TYR 18 1HD TYR 18 5.387 -12.428 -4.412 146 HD2 TYR 18 2HD TYR 18 1.596 -12.005 -6.293 147 HE1 TYR 18 1HE TYR 18 6.101 -13.971 -6.184 148 HE2 TYR 18 2HE TYR 18 2.301 -13.551 -8.074 149 HH TYR 18 HH TYR 18 5.061 -15.488 -7.835 150 H GLU 19 H GLU 19 3.871 -12.544 -1.473 151 HA GLU 19 HA GLU 19 4.428 -15.099 -2.547 152 1HB GLU 19 2HB GLU 19 5.812 -15.480 -0.590 153 2HB GLU 19 1HB GLU 19 6.066 -13.857 -1.214 154 1HG GLU 19 2HG GLU 19 4.800 -12.896 0.545 155 2HG GLU 19 1HG GLU 19 4.259 -14.481 1.103 156 H ASN 20 H ASN 20 1.987 -13.998 -0.446 157 HA ASN 20 HA ASN 20 1.291 -16.616 0.578 158 1HB ASN 20 2HB ASN 20 -0.014 -13.901 0.703 159 2HB ASN 20 1HB ASN 20 -0.847 -15.341 1.266 160 1HD2 ASN 20 1HD2 ASN 20 2.607 -14.883 1.595 161 2HD2 ASN 20 2HD2 ASN 20 2.615 -14.694 3.313 162 H SER 21 H SER 21 1.587 -16.573 -2.168 163 HA SER 21 HA SER 21 -0.750 -16.056 -3.649 164 1HB SER 21 2HB SER 21 0.422 -17.409 -5.414 165 2HB SER 21 1HB SER 21 1.378 -16.094 -4.740 166 HG SER 21 HG SER 21 2.775 -17.685 -4.545 167 H ASP 22 H ASP 22 0.059 -18.609 -1.578 168 HA ASP 22 HA ASP 22 -1.323 -20.789 -2.573 169 1HB ASP 22 2HB ASP 22 -0.053 -20.934 -0.513 170 2HB ASP 22 1HB ASP 22 -1.147 -19.805 0.280 171 H GLY 23 H GLY 23 -2.526 -17.804 -1.290 172 1HA GLY 23 2HA GLY 23 -5.219 -18.609 -2.159 173 2HA GLY 23 1HA GLY 23 -5.011 -17.858 -0.582 174 H ALA 24 H ALA 24 -3.407 -17.111 -3.660 175 HA ALA 24 HA ALA 24 -4.852 -14.677 -4.036 176 1HB ALA 24 1HB ALA 24 -1.985 -14.460 -3.136 177 2HB ALA 24 2HB ALA 24 -3.391 -14.049 -2.155 178 3HB ALA 24 3HB ALA 24 -3.041 -13.134 -3.621 179 H SER 25 H SER 25 -4.646 -13.973 -6.074 180 HA SER 25 HA SER 25 -2.816 -15.408 -7.855 181 1HB SER 25 2HB SER 25 -5.196 -15.366 -8.485 182 2HB SER 25 1HB SER 25 -5.177 -13.605 -8.477 183 HG SER 25 HG SER 25 -4.888 -14.187 -10.573 184 H LEU 26 H LEU 26 -1.500 -14.236 -9.384 185 HA LEU 26 HA LEU 26 -0.110 -12.064 -8.239 186 1HB LEU 26 2HB LEU 26 0.552 -13.826 -10.085 187 2HB LEU 26 1HB LEU 26 -0.041 -12.600 -11.187 188 HG LEU 26 HG LEU 26 2.183 -12.177 -9.185 189 1HD1 LEU 26 1HD1 LEU 26 2.843 -13.768 -10.892 190 2HD1 LEU 26 2HD1 LEU 26 3.669 -12.229 -11.126 191 3HD1 LEU 26 3HD1 LEU 26 2.305 -12.663 -12.158 192 1HD2 LEU 26 1HD2 LEU 26 1.010 -10.117 -9.742 193 2HD2 LEU 26 2HD2 LEU 26 1.228 -10.448 -11.461 194 3HD2 LEU 26 3HD2 LEU 26 2.631 -10.135 -10.437 195 H GLN 27 H GLN 27 -2.307 -12.171 -11.051 196 HA GLN 27 HA GLN 27 -2.429 -9.425 -11.556 197 1HB GLN 27 2HB GLN 27 -3.338 -11.249 -13.028 198 2HB GLN 27 1HB GLN 27 -4.685 -11.409 -11.910 199 1HG GLN 27 2HG GLN 27 -5.467 -10.082 -13.692 200 2HG GLN 27 1HG GLN 27 -5.187 -8.981 -12.345 201 1HE2 GLN 27 1HE2 GLN 27 -4.985 -7.214 -13.692 202 2HE2 GLN 27 2HE2 GLN 27 -3.591 -6.963 -14.691 203 H GLN 28 H GLN 28 -4.232 -11.452 -9.331 204 HA GLN 28 HA GLN 28 -6.237 -9.675 -8.550 205 1HB GLN 28 2HB GLN 28 -6.209 -12.086 -8.042 206 2HB GLN 28 1HB GLN 28 -4.868 -11.838 -6.938 207 1HG GLN 28 2HG GLN 28 -6.334 -10.418 -5.543 208 2HG GLN 28 1HG GLN 28 -7.674 -10.796 -6.626 209 1HE2 GLN 28 1HE2 GLN 28 -8.866 -11.835 -5.028 210 2HE2 GLN 28 2HE2 GLN 28 -8.408 -13.390 -4.406 211 H ILE 29 H ILE 29 -2.966 -10.165 -7.253 212 HA ILE 29 HA ILE 29 -3.204 -8.387 -5.071 213 HB ILE 29 HB ILE 29 -0.679 -9.094 -6.581 214 1HG1 ILE 29 2HG1 ILE 29 -1.838 -11.112 -5.824 215 2HG1 ILE 29 1HG1 ILE 29 -0.371 -10.852 -4.890 216 1HG2 ILE 29 1HG2 ILE 29 -1.076 -8.096 -3.763 217 2HG2 ILE 29 2HG2 ILE 29 -0.422 -7.165 -5.111 218 3HG2 ILE 29 3HG2 ILE 29 0.464 -8.558 -4.490 219 1HD1 ILE 29 1HD1 ILE 29 -2.123 -11.578 -3.440 220 2HD1 ILE 29 2HD1 ILE 29 -3.193 -10.302 -4.019 221 3HD1 ILE 29 3HD1 ILE 29 -1.756 -9.890 -3.082 222 H ALA 30 H ALA 30 -1.749 -7.932 -8.292 223 HA ALA 30 HA ALA 30 -1.057 -5.231 -7.961 224 1HB ALA 30 1HB ALA 30 -0.838 -5.151 -10.376 225 2HB ALA 30 2HB ALA 30 -1.737 -6.660 -10.527 226 3HB ALA 30 3HB ALA 30 -0.153 -6.650 -9.749 227 H ASN 31 H ASN 31 -3.969 -6.755 -9.199 228 HA ASN 31 HA ASN 31 -5.305 -4.439 -10.079 229 1HB ASN 31 2HB ASN 31 -5.843 -6.922 -10.513 230 2HB ASN 31 1HB ASN 31 -6.668 -6.885 -8.961 231 1HD2 ASN 31 1HD2 ASN 31 -7.744 -7.406 -11.574 232 2HD2 ASN 31 2HD2 ASN 31 -8.957 -6.203 -11.874 233 H ASP 32 H ASP 32 -5.383 -6.187 -7.001 234 HA ASP 32 HA ASP 32 -7.431 -4.643 -5.815 235 1HB ASP 32 2HB ASP 32 -6.783 -6.899 -5.043 236 2HB ASP 32 1HB ASP 32 -5.259 -6.244 -4.450 237 H LEU 33 H LEU 33 -3.899 -4.380 -5.710 238 HA LEU 33 HA LEU 33 -3.885 -2.218 -3.853 239 1HB LEU 33 2HB LEU 33 -1.875 -3.500 -5.635 240 2HB LEU 33 1HB LEU 33 -1.522 -1.896 -5.028 241 HG LEU 33 HG LEU 33 -1.754 -2.733 -2.712 242 1HD1 LEU 33 1HD1 LEU 33 -1.863 -5.125 -2.279 243 2HD1 LEU 33 2HD1 LEU 33 -2.025 -5.442 -4.006 244 3HD1 LEU 33 3HD1 LEU 33 -3.298 -4.577 -3.147 245 1HD2 LEU 33 1HD2 LEU 33 0.197 -4.284 -4.407 246 2HD2 LEU 33 2HD2 LEU 33 0.322 -4.004 -2.670 247 3HD2 LEU 33 3HD2 LEU 33 0.433 -2.649 -3.794 248 H GLY 34 H GLY 34 -4.041 -2.460 -7.331 249 1HA GLY 34 2HA GLY 34 -5.046 -0.802 -8.689 250 2HA GLY 34 1HA GLY 34 -4.694 0.392 -7.448 251 H ILE 35 H ILE 35 -2.409 -1.938 -8.755 252 HA ILE 35 HA ILE 35 -0.968 0.264 -10.067 253 HB ILE 35 HB ILE 35 1.158 -0.850 -9.400 254 1HG1 ILE 35 2HG1 ILE 35 -0.647 -2.436 -7.559 255 2HG1 ILE 35 1HG1 ILE 35 0.243 -3.080 -8.933 256 1HG2 ILE 35 1HG2 ILE 35 0.369 1.118 -8.218 257 2HG2 ILE 35 2HG2 ILE 35 1.187 0.014 -7.114 258 3HG2 ILE 35 3HG2 ILE 35 -0.574 0.101 -7.127 259 1HD1 ILE 35 1HD1 ILE 35 1.468 -1.871 -6.468 260 2HD1 ILE 35 2HD1 ILE 35 2.346 -2.545 -7.842 261 3HD1 ILE 35 3HD1 ILE 35 1.348 -3.592 -6.831 262 H ASN 36 H ASN 36 0.839 -0.745 -11.519 263 HA ASN 36 HA ASN 36 -0.413 -2.575 -13.321 264 1HB ASN 36 2HB ASN 36 1.079 -0.680 -14.019 265 2HB ASN 36 1HB ASN 36 2.439 -1.579 -13.360 266 1HD2 ASN 36 1HD2 ASN 36 0.001 -1.479 -15.830 267 2HD2 ASN 36 2HD2 ASN 36 0.745 -2.626 -16.874 268 H ARG 37 H ARG 37 0.166 -4.655 -13.783 269 HA ARG 37 HA ARG 37 0.978 -6.291 -11.661 270 1HB ARG 37 2HB ARG 37 -0.406 -6.978 -13.646 271 2HB ARG 37 1HB ARG 37 1.068 -6.990 -14.602 272 1HG ARG 37 2HG ARG 37 1.996 -8.731 -13.168 273 2HG ARG 37 1HG ARG 37 0.522 -8.720 -12.196 274 1HD ARG 37 2HD ARG 37 0.411 -10.553 -13.745 275 2HD ARG 37 1HD ARG 37 -0.758 -9.326 -14.236 276 HE ARG 37 HE ARG 37 1.892 -9.506 -15.508 277 1HH1 ARG 37 1HH1 ARG 37 -1.610 -9.482 -15.735 278 2HH1 ARG 37 2HH1 ARG 37 -1.616 -9.449 -17.471 279 1HH2 ARG 37 1HH2 ARG 37 1.889 -9.427 -17.770 280 2HH2 ARG 37 2HH2 ARG 37 0.380 -9.408 -18.637 281 H VAL 38 H VAL 38 2.788 -4.886 -14.324 282 HA VAL 38 HA VAL 38 5.187 -6.368 -13.861 283 HB VAL 38 HB VAL 38 4.857 -3.714 -15.278 284 1HG1 VAL 38 1HG1 VAL 38 6.959 -4.300 -16.400 285 2HG1 VAL 38 2HG1 VAL 38 7.083 -5.748 -15.402 286 3HG1 VAL 38 3HG1 VAL 38 7.174 -4.152 -14.656 287 1HG2 VAL 38 1HG2 VAL 38 4.853 -6.522 -16.384 288 2HG2 VAL 38 2HG2 VAL 38 4.809 -5.039 -17.340 289 3HG2 VAL 38 3HG2 VAL 38 3.460 -5.448 -16.279 290 H THR 39 H THR 39 4.037 -3.142 -12.914 291 HA THR 39 HA THR 39 6.319 -2.282 -11.557 292 HB THR 39 HB THR 39 3.451 -1.677 -10.813 293 HG1 THR 39 1HG THR 39 4.591 0.265 -12.254 294 1HG2 THR 39 1HG2 THR 39 4.385 0.454 -9.998 295 2HG2 THR 39 2HG2 THR 39 6.008 -0.130 -10.365 296 3HG2 THR 39 3HG2 THR 39 5.041 -0.927 -9.123 297 H LEU 40 H LEU 40 3.574 -4.214 -10.443 298 HA LEU 40 HA LEU 40 4.358 -4.483 -7.753 299 1HB LEU 40 2HB LEU 40 2.126 -5.075 -8.511 300 2HB LEU 40 1HB LEU 40 2.777 -6.342 -9.531 301 HG LEU 40 HG LEU 40 3.603 -7.476 -7.437 302 1HD1 LEU 40 1HD1 LEU 40 1.843 -5.419 -6.115 303 2HD1 LEU 40 2HD1 LEU 40 3.593 -5.569 -5.946 304 3HD1 LEU 40 3HD1 LEU 40 2.535 -6.837 -5.327 305 1HD2 LEU 40 1HD2 LEU 40 1.402 -8.380 -6.863 306 2HD2 LEU 40 2HD2 LEU 40 1.609 -8.221 -8.608 307 3HD2 LEU 40 3HD2 LEU 40 0.634 -7.047 -7.725 308 H LYS 41 H LYS 41 4.936 -6.523 -10.587 309 HA LYS 41 HA LYS 41 6.348 -8.592 -9.371 310 1HB LYS 41 2HB LYS 41 5.470 -8.433 -11.761 311 2HB LYS 41 1HB LYS 41 6.927 -7.527 -12.134 312 1HG LYS 41 2HG LYS 41 8.269 -9.462 -11.369 313 2HG LYS 41 1HG LYS 41 6.768 -10.369 -11.157 314 1HD LYS 41 2HD LYS 41 6.264 -9.896 -13.569 315 2HD LYS 41 1HD LYS 41 7.899 -9.246 -13.714 316 1HE LYS 41 2HE LYS 41 8.785 -11.426 -12.943 317 2HE LYS 41 1HE LYS 41 7.138 -12.056 -12.931 318 1HZ LYS 41 1HZ LYS 41 7.909 -12.718 -14.981 319 2HZ LYS 41 2HZ LYS 41 8.819 -11.312 -15.232 320 3HZ LYS 41 3HZ LYS 41 7.128 -11.262 -15.378 321 H ASN 42 H ASN 42 7.483 -5.553 -10.738 322 HA ASN 42 HA ASN 42 10.226 -5.866 -10.458 323 1HB ASN 42 2HB ASN 42 8.425 -3.466 -10.389 324 2HB ASN 42 1HB ASN 42 10.148 -3.286 -10.090 325 1HD2 ASN 42 1HD2 ASN 42 10.297 -2.005 -11.956 326 2HD2 ASN 42 2HD2 ASN 42 10.304 -2.711 -13.541 327 H TRP 43 H TRP 43 7.888 -4.640 -8.078 328 HA TRP 43 HA TRP 43 9.776 -4.137 -6.033 329 1HB TRP 43 2HB TRP 43 6.812 -4.712 -5.912 330 2HB TRP 43 1HB TRP 43 7.769 -4.282 -4.500 331 HD1 TRP 43 HD TRP 43 9.328 -2.142 -6.832 332 HE1 TRP 43 1HE TRP 43 8.228 0.188 -6.947 333 HE3 TRP 43 3HE TRP 43 4.865 -3.231 -4.579 334 HZ2 TRP 43 2HZ TRP 43 5.796 1.385 -6.197 335 HZ3 TRP 43 3HZ TRP 43 3.201 -1.443 -4.331 336 HH2 TRP 43 HH TRP 43 3.655 0.823 -5.125 337 H ILE 44 H ILE 44 7.743 -6.940 -6.766 338 HA ILE 44 HA ILE 44 8.305 -8.520 -4.551 339 HB ILE 44 HB ILE 44 7.836 -9.457 -7.386 340 1HG1 ILE 44 2HG1 ILE 44 5.828 -9.115 -5.151 341 2HG1 ILE 44 1HG1 ILE 44 6.098 -7.912 -6.405 342 1HG2 ILE 44 1HG2 ILE 44 8.723 -11.232 -6.003 343 2HG2 ILE 44 2HG2 ILE 44 7.012 -11.524 -6.329 344 3HG2 ILE 44 3HG2 ILE 44 7.521 -10.895 -4.761 345 1HD1 ILE 44 1HD1 ILE 44 4.156 -9.294 -6.884 346 2HD1 ILE 44 2HD1 ILE 44 5.175 -10.733 -6.862 347 3HD1 ILE 44 3HD1 ILE 44 5.412 -9.504 -8.105 348 H ILE 45 H ILE 45 10.012 -8.385 -7.666 349 HA ILE 45 HA ILE 45 11.925 -10.376 -6.955 350 HB ILE 45 HB ILE 45 12.072 -8.276 -9.125 351 1HG1 ILE 45 2HG1 ILE 45 11.106 -11.140 -9.260 352 2HG1 ILE 45 1HG1 ILE 45 10.071 -9.721 -9.304 353 1HG2 ILE 45 1HG2 ILE 45 13.593 -10.854 -8.794 354 2HG2 ILE 45 2HG2 ILE 45 14.249 -9.224 -8.645 355 3HG2 ILE 45 3HG2 ILE 45 13.663 -9.801 -10.206 356 1HD1 ILE 45 1HD1 ILE 45 12.147 -10.447 -11.348 357 2HD1 ILE 45 2HD1 ILE 45 11.104 -9.025 -11.396 358 3HD1 ILE 45 3HD1 ILE 45 10.403 -10.641 -11.521 359 H LYS 46 H LYS 46 11.772 -6.903 -6.632 360 HA LYS 46 HA LYS 46 14.599 -6.553 -6.270 361 1HB LYS 46 2HB LYS 46 13.037 -4.837 -7.244 362 2HB LYS 46 1HB LYS 46 12.383 -4.607 -5.631 363 1HG LYS 46 2HG LYS 46 14.589 -3.897 -4.841 364 2HG LYS 46 1HG LYS 46 15.229 -4.106 -6.473 365 1HD LYS 46 2HD LYS 46 13.486 -2.468 -7.251 366 2HD LYS 46 1HD LYS 46 13.125 -2.156 -5.553 367 1HE LYS 46 2HE LYS 46 14.634 -0.468 -6.366 368 2HE LYS 46 1HE LYS 46 15.479 -1.498 -5.213 369 1HZ LYS 46 1HZ LYS 46 15.641 -1.974 -8.131 370 2HZ LYS 46 2HZ LYS 46 16.678 -2.537 -6.909 371 3HZ LYS 46 3HZ LYS 46 16.689 -0.899 -7.342 372 H TYR 47 H TYR 47 11.754 -6.349 -4.123 373 HA TYR 47 HA TYR 47 13.531 -5.987 -1.841 374 1HB TYR 47 2HB TYR 47 10.512 -5.911 -1.982 375 2HB TYR 47 1HB TYR 47 11.493 -5.456 -0.594 376 HD1 TYR 47 1HD TYR 47 10.052 -4.367 -3.695 377 HD2 TYR 47 2HD TYR 47 13.051 -3.462 -0.815 378 HE1 TYR 47 1HE TYR 47 10.198 -2.074 -4.572 379 HE2 TYR 47 2HE TYR 47 13.196 -1.168 -1.681 380 HH TYR 47 HH TYR 47 12.735 0.049 -3.728 381 H GLY 48 H GLY 48 11.622 -8.434 -3.330 382 1HA GLY 48 2HA GLY 48 11.788 -10.107 -0.911 383 2HA GLY 48 1HA GLY 48 10.695 -10.378 -2.261 384 H SER 49 H SER 49 14.180 -9.766 -2.132 385 HA SER 49 HA SER 49 14.793 -11.496 -4.248 386 1HB SER 49 2HB SER 49 17.177 -11.229 -3.315 387 2HB SER 49 1HB SER 49 16.330 -9.764 -3.811 388 HG SER 49 HG SER 49 16.984 -10.667 -1.239 389 H ASN 50 H ASN 50 14.723 -12.005 -0.766 390 HA ASN 50 HA ASN 50 15.783 -14.708 -1.105 391 1HB ASN 50 2HB ASN 50 15.037 -13.249 1.422 392 2HB ASN 50 1HB ASN 50 15.838 -14.807 1.334 393 1HD2 ASN 50 1HD2 ASN 50 17.981 -14.922 0.895 394 2HD2 ASN 50 2HD2 ASN 50 19.018 -13.539 0.800 395 H HIS 51 H HIS 51 14.463 -16.222 -1.539 396 HA HIS 51 HA HIS 51 12.098 -16.705 0.019 397 1HB HIS 51 2HB HIS 51 11.899 -15.886 -2.857 398 2HB HIS 51 1HB HIS 51 10.783 -17.096 -2.233 399 HD1 HIS 51 1HD HIS 51 11.249 -13.496 -2.501 400 HD2 HIS 51 2HD HIS 51 9.237 -16.075 0.077 401 HE1 HIS 51 1HE HIS 51 9.573 -12.073 -1.281 402 HE2 HIS 51 2HE HIS 51 8.441 -13.624 0.353 403 H ASN 52 H ASN 52 14.163 -17.577 -2.683 404 HA ASN 52 HA ASN 52 14.421 -20.256 -1.641 405 1HB ASN 52 2HB ASN 52 12.455 -20.515 -3.112 406 2HB ASN 52 1HB ASN 52 13.367 -19.833 -4.454 407 1HD2 ASN 52 1HD2 ASN 52 13.164 -21.667 -5.709 408 2HD2 ASN 52 2HD2 ASN 52 14.005 -23.134 -5.360 409 H VAL 53 H VAL 53 16.524 -19.290 -1.324 410 HA VAL 53 HA VAL 53 18.037 -18.551 -3.660 411 HB VAL 53 HB VAL 53 19.950 -18.283 -2.031 412 1HG1 VAL 53 1HG1 VAL 53 17.412 -16.748 -1.472 413 2HG1 VAL 53 2HG1 VAL 53 18.565 -16.406 -2.762 414 3HG1 VAL 53 3HG1 VAL 53 19.047 -16.219 -1.075 415 1HG2 VAL 53 1HG2 VAL 53 19.390 -18.189 0.359 416 2HG2 VAL 53 2HG2 VAL 53 19.185 -19.817 -0.290 417 3HG2 VAL 53 3HG2 VAL 53 17.774 -18.800 -0.000 418 H GLN 54 H GLN 54 18.334 -21.133 -1.208 419 HA GLN 54 HA GLN 54 19.901 -22.648 -3.174 420 1HB GLN 54 2HB GLN 54 20.396 -22.513 -0.193 421 2HB GLN 54 1HB GLN 54 21.275 -23.530 -1.325 422 1HG GLN 54 2HG GLN 54 21.247 -20.520 -1.269 423 2HG GLN 54 1HG GLN 54 22.573 -21.575 -0.782 424 1HE2 GLN 54 1HE2 GLN 54 22.383 -19.478 -2.843 425 2HE2 GLN 54 2HE2 GLN 54 22.861 -20.235 -4.316 426 H GLY 55 H GLY 55 18.969 -24.460 -3.712 427 1HA GLY 55 2HA GLY 55 17.653 -26.063 -1.609 428 2HA GLY 55 1HA GLY 55 16.902 -25.862 -3.190 429 H THR 56 H THR 56 20.292 -26.037 -2.757 430 HA THR 56 HA THR 56 21.890 -27.203 -3.805 431 HB THR 56 HB THR 56 21.869 -29.663 -3.426 432 HG1 THR 56 1HG THR 56 19.237 -29.203 -3.001 433 1HG2 THR 56 1HG2 THR 56 21.221 -27.955 -1.028 434 2HG2 THR 56 2HG2 THR 56 22.809 -28.140 -1.770 435 3HG2 THR 56 3HG2 THR 56 22.036 -29.517 -0.986 436 H THR 57 H THR 57 21.730 -26.653 -5.888 437 HA THR 57 HA THR 57 19.843 -27.915 -7.661 438 HB THR 57 HB THR 57 22.132 -26.077 -8.388 439 HG1 THR 57 1HG THR 57 20.711 -24.376 -8.043 440 1HG2 THR 57 1HG2 THR 57 21.117 -27.236 -10.286 441 2HG2 THR 57 2HG2 THR 57 20.702 -25.523 -10.315 442 3HG2 THR 57 3HG2 THR 57 19.516 -26.706 -9.768 443 HA PRO 58 HA PRO 58 22.549 -31.410 -8.433 444 1HB PRO 58 2HB PRO 58 20.703 -31.763 -10.721 445 2HB PRO 58 1HB PRO 58 21.162 -32.913 -9.461 446 1HG PRO 58 2HG PRO 58 18.758 -31.762 -9.455 447 2HG PRO 58 1HG PRO 58 19.636 -32.058 -7.943 448 1HD PRO 58 2HD PRO 58 19.272 -29.502 -9.456 449 2HD PRO 58 1HD PRO 58 19.283 -29.784 -7.702 450 H SER 59 H SER 59 21.449 -29.221 -10.954 451 HA SER 59 HA SER 59 23.476 -29.874 -12.834 452 1HB SER 59 2HB SER 59 21.307 -28.792 -13.421 453 2HB SER 59 1HB SER 59 21.862 -27.321 -12.630 454 HG SER 59 HG SER 59 23.374 -28.536 -14.690 455 H ALA 60 H ALA 60 23.357 -27.765 -10.079 456 HA ALA 60 HA ALA 60 25.592 -26.144 -10.905 457 1HB ALA 60 1HB ALA 60 23.807 -25.208 -9.508 458 2HB ALA 60 2HB ALA 60 25.382 -25.080 -8.724 459 3HB ALA 60 3HB ALA 60 24.239 -26.324 -8.215 460 H ALA 61 H ALA 61 25.093 -29.090 -9.212 461 HA ALA 61 HA ALA 61 27.496 -29.010 -7.670 462 1HB ALA 61 1HB ALA 61 25.555 -30.322 -6.952 463 2HB ALA 61 2HB ALA 61 26.998 -31.324 -7.111 464 3HB ALA 61 3HB ALA 61 25.753 -31.368 -8.359 465 H VAL 62 H VAL 62 26.951 -29.433 -10.898 466 HA VAL 62 HA VAL 62 28.919 -31.396 -11.526 467 HB VAL 62 HB VAL 62 27.821 -29.188 -13.280 468 1HG1 VAL 62 1HG1 VAL 62 28.548 -30.564 -15.156 469 2HG1 VAL 62 2HG1 VAL 62 29.220 -31.751 -14.039 470 3HG1 VAL 62 3HG1 VAL 62 29.919 -30.135 -14.131 471 1HG2 VAL 62 1HG2 VAL 62 26.932 -32.052 -12.967 472 2HG2 VAL 62 2HG2 VAL 62 26.306 -30.905 -14.152 473 3HG2 VAL 62 3HG2 VAL 62 26.049 -30.622 -12.429 474 H SER 63 H SER 63 28.903 -27.960 -11.035 475 HA SER 63 HA SER 63 31.444 -27.317 -12.038 476 1HB SER 63 2HB SER 63 30.072 -26.004 -9.688 477 2HB SER 63 1HB SER 63 31.233 -25.277 -10.793 478 HG SER 63 HG SER 63 28.523 -25.691 -11.094 479 H GLU 64 H GLU 64 30.361 -28.607 -8.971 480 HA GLU 64 HA GLU 64 32.912 -28.346 -7.693 481 1HB GLU 64 2HB GLU 64 30.349 -28.693 -6.795 482 2HB GLU 64 1HB GLU 64 31.016 -30.306 -6.594 483 1HG GLU 64 2HG GLU 64 31.291 -29.103 -4.553 484 2HG GLU 64 1HG GLU 64 32.876 -29.328 -5.290 485 H ALA 65 H ALA 65 31.136 -30.825 -9.375 486 HA ALA 65 HA ALA 65 32.725 -33.041 -8.715 487 1HB ALA 65 1HB ALA 65 30.495 -33.257 -9.677 488 2HB ALA 65 2HB ALA 65 31.688 -34.147 -10.625 489 3HB ALA 65 3HB ALA 65 31.083 -32.593 -11.202 490 H GLU 66 H GLU 66 32.979 -30.635 -11.265 491 HA GLU 66 HA GLU 66 35.014 -31.767 -12.805 492 1HB GLU 66 2HB GLU 66 33.851 -29.811 -13.568 493 2HB GLU 66 1HB GLU 66 34.368 -28.889 -12.166 494 1HG GLU 66 2HG GLU 66 36.702 -29.070 -12.959 495 2HG GLU 66 1HG GLU 66 36.108 -29.881 -14.408 496 H GLN 67 H GLN 67 35.232 -29.544 -10.055 497 HA GLN 67 HA GLN 67 38.057 -29.540 -9.888 498 1HB GLN 67 2HB GLN 67 35.815 -28.680 -8.108 499 2HB GLN 67 1HB GLN 67 37.433 -28.787 -7.433 500 1HG GLN 67 2HG GLN 67 36.555 -26.538 -8.417 501 2HG GLN 67 1HG GLN 67 38.225 -27.034 -8.675 502 1HE2 GLN 67 1HE2 GLN 67 35.075 -26.682 -10.157 503 2HE2 GLN 67 2HE2 GLN 67 35.632 -26.745 -11.800 504 H ILE 68 H ILE 68 35.538 -31.487 -8.375 505 HA ILE 68 HA ILE 68 37.095 -32.894 -6.537 506 HB ILE 68 HB ILE 68 34.624 -33.710 -8.059 507 1HG1 ILE 68 2HG1 ILE 68 34.326 -31.917 -6.436 508 2HG1 ILE 68 1HG1 ILE 68 33.535 -33.386 -5.871 509 1HG2 ILE 68 1HG2 ILE 68 34.393 -35.591 -6.498 510 2HG2 ILE 68 2HG2 ILE 68 35.985 -35.228 -5.832 511 3HG2 ILE 68 3HG2 ILE 68 35.828 -35.751 -7.509 512 1HD1 ILE 68 1HD1 ILE 68 35.449 -33.810 -4.387 513 2HD1 ILE 68 2HD1 ILE 68 34.654 -32.275 -4.047 514 3HD1 ILE 68 3HD1 ILE 68 36.185 -32.299 -4.925 515 H ARG 69 H ARG 69 36.346 -33.729 -9.929 516 HA ARG 69 HA ARG 69 37.855 -36.083 -10.062 517 1HB ARG 69 2HB ARG 69 37.342 -34.052 -12.243 518 2HB ARG 69 1HB ARG 69 38.017 -35.649 -12.512 519 1HG ARG 69 2HG ARG 69 35.899 -36.605 -11.572 520 2HG ARG 69 1HG ARG 69 35.242 -34.965 -11.577 521 1HD ARG 69 2HD ARG 69 35.759 -34.833 -14.006 522 2HD ARG 69 1HD ARG 69 36.239 -36.527 -13.958 523 HE ARG 69 HE ARG 69 33.508 -35.607 -13.325 524 1HH1 ARG 69 1HH1 ARG 69 35.707 -37.863 -14.846 525 2HH1 ARG 69 2HH1 ARG 69 34.444 -38.833 -15.533 526 1HH2 ARG 69 1HH2 ARG 69 31.835 -36.869 -14.258 527 2HH2 ARG 69 2HH2 ARG 69 32.250 -38.271 -15.207 528 H GLN 70 H GLN 70 38.766 -32.742 -10.697 529 HA GLN 70 HA GLN 70 41.366 -33.232 -11.629 530 1HB GLN 70 2HB GLN 70 39.708 -31.084 -11.476 531 2HB GLN 70 1HB GLN 70 40.857 -30.698 -10.210 532 1HG GLN 70 2HG GLN 70 41.496 -31.226 -13.105 533 2HG GLN 70 1HG GLN 70 41.503 -29.670 -12.286 534 1HE2 GLN 70 1HE2 GLN 70 43.191 -32.651 -12.778 535 2HE2 GLN 70 2HE2 GLN 70 44.662 -32.194 -11.988 536 H LEU 71 H LEU 71 40.112 -32.487 -8.394 537 HA LEU 71 HA LEU 71 42.673 -32.233 -7.185 538 1HB LEU 71 2HB LEU 71 40.458 -31.289 -6.380 539 2HB LEU 71 1HB LEU 71 40.067 -32.898 -5.816 540 HG LEU 71 HG LEU 71 40.912 -31.255 -4.083 541 1HD1 LEU 71 1HD1 LEU 71 42.277 -32.908 -2.914 542 2HD1 LEU 71 2HD1 LEU 71 42.419 -33.841 -4.404 543 3HD1 LEU 71 3HD1 LEU 71 40.843 -33.639 -3.638 544 1HD2 LEU 71 1HD2 LEU 71 43.539 -31.789 -5.453 545 2HD2 LEU 71 2HD2 LEU 71 43.322 -30.940 -3.921 546 3HD2 LEU 71 3HD2 LEU 71 42.685 -30.247 -5.413 547 H LYS 72 H LYS 72 40.316 -34.881 -7.381 548 HA LYS 72 HA LYS 72 41.825 -36.555 -5.617 549 1HB LYS 72 2HB LYS 72 39.357 -36.662 -5.805 550 2HB LYS 72 1HB LYS 72 39.529 -37.290 -7.438 551 1HG LYS 72 2HG LYS 72 40.664 -39.262 -6.577 552 2HG LYS 72 1HG LYS 72 40.541 -38.630 -4.934 553 1HD LYS 72 2HD LYS 72 38.100 -38.690 -5.096 554 2HD LYS 72 1HD LYS 72 38.221 -39.311 -6.743 555 1HE LYS 72 2HE LYS 72 39.375 -41.306 -5.896 556 2HE LYS 72 1HE LYS 72 39.240 -40.681 -4.252 557 1HZ LYS 72 1HZ LYS 72 37.517 -42.323 -4.796 558 2HZ LYS 72 2HZ LYS 72 36.930 -41.304 -6.017 559 3HZ LYS 72 3HZ LYS 72 36.858 -40.813 -4.398 560 H LYS 73 H LYS 73 41.375 -36.431 -9.132 561 HA LYS 73 HA LYS 73 43.178 -38.735 -9.365 562 1HB LYS 73 2HB LYS 73 41.322 -37.518 -11.414 563 2HB LYS 73 1HB LYS 73 42.357 -38.910 -11.694 564 1HG LYS 73 2HG LYS 73 41.134 -40.008 -9.751 565 2HG LYS 73 1HG LYS 73 39.965 -38.696 -9.896 566 1HD LYS 73 2HD LYS 73 39.165 -40.594 -11.142 567 2HD LYS 73 1HD LYS 73 39.633 -39.327 -12.280 568 1HE LYS 73 2HE LYS 73 41.725 -40.446 -12.731 569 2HE LYS 73 1HE LYS 73 41.383 -41.652 -11.491 570 1HZ LYS 73 1HZ LYS 73 39.462 -42.373 -12.801 571 2HZ LYS 73 2HZ LYS 73 40.917 -42.539 -13.660 572 3HZ LYS 73 3HZ LYS 73 39.866 -41.258 -14.019 573 H GLU 74 H GLU 74 43.985 -35.897 -8.863 574 HA GLU 74 HA GLU 74 45.251 -34.862 -11.156 575 1HB GLU 74 2HB GLU 74 44.933 -33.493 -9.174 576 2HB GLU 74 1HB GLU 74 45.957 -34.563 -8.227 577 1HG GLU 74 2HG GLU 74 47.243 -32.649 -8.738 578 2HG GLU 74 1HG GLU 74 47.850 -33.956 -9.748 579 H ASN 75 H ASN 75 46.643 -36.710 -8.448 580 HA ASN 75 HA ASN 75 48.476 -38.061 -10.238 581 1HB ASN 75 2HB ASN 75 49.493 -35.790 -9.562 582 2HB ASN 75 1HB ASN 75 49.645 -36.474 -7.950 583 1HD2 ASN 75 1HD2 ASN 75 50.778 -36.603 -11.247 584 2HD2 ASN 75 2HD2 ASN 75 52.187 -37.572 -10.931 585 H ALA 76 H ALA 76 50.172 -39.194 -8.435 586 HA ALA 76 HA ALA 76 48.417 -41.056 -7.150 587 1HB ALA 76 1HB ALA 76 50.394 -42.386 -6.768 588 2HB ALA 76 2HB ALA 76 51.423 -41.033 -7.237 589 3HB ALA 76 3HB ALA 76 50.377 -41.797 -8.432 590 H LEU 77 H LEU 77 49.844 -38.207 -6.179 591 HA LEU 77 HA LEU 77 51.134 -38.551 -3.828 592 1HB LEU 77 2HB LEU 77 49.121 -36.398 -4.460 593 2HB LEU 77 1HB LEU 77 50.355 -36.309 -3.222 594 HG LEU 77 HG LEU 77 50.896 -36.525 -6.184 595 1HD1 LEU 77 1HD1 LEU 77 51.635 -34.189 -5.982 596 2HD1 LEU 77 2HD1 LEU 77 51.076 -34.169 -4.310 597 3HD1 LEU 77 3HD1 LEU 77 49.917 -34.376 -5.624 598 1HD2 LEU 77 1HD2 LEU 77 52.666 -37.522 -4.820 599 2HD2 LEU 77 2HD2 LEU 77 52.760 -36.052 -3.853 600 3HD2 LEU 77 3HD2 LEU 77 53.212 -36.016 -5.556 601 H GLN 78 H GLN 78 47.583 -38.094 -4.067 602 HA GLN 78 HA GLN 78 47.240 -38.566 -1.253 603 1HB GLN 78 2HB GLN 78 45.710 -37.091 -2.451 604 2HB GLN 78 1HB GLN 78 45.224 -38.410 -3.505 605 1HG GLN 78 2HG GLN 78 43.529 -37.991 -1.845 606 2HG GLN 78 1HG GLN 78 44.249 -39.578 -1.596 607 1HE2 GLN 78 1HE2 GLN 78 45.524 -39.940 0.210 608 2HE2 GLN 78 2HE2 GLN 78 45.516 -38.870 1.572 609 H ARG 79 H ARG 79 46.899 -40.475 -4.177 610 HA ARG 79 HA ARG 79 45.484 -42.645 -3.049 611 1HB ARG 79 2HB ARG 79 45.990 -41.912 -5.565 612 2HB ARG 79 1HB ARG 79 47.294 -43.072 -5.379 613 1HG ARG 79 2HG ARG 79 44.401 -43.719 -4.862 614 2HG ARG 79 1HG ARG 79 45.205 -43.972 -6.410 615 1HD ARG 79 2HD ARG 79 46.742 -45.530 -5.414 616 2HD ARG 79 1HD ARG 79 46.111 -45.185 -3.803 617 HE ARG 79 HE ARG 79 44.384 -46.360 -5.882 618 1HH1 ARG 79 1HH1 ARG 79 45.930 -46.543 -2.739 619 2HH1 ARG 79 2HH1 ARG 79 44.965 -47.886 -2.205 620 1HH2 ARG 79 1HH2 ARG 79 43.143 -48.132 -5.185 621 2HH2 ARG 79 2HH2 ARG 79 43.406 -48.809 -3.606 622 H ALA 80 H ALA 80 48.794 -41.739 -3.093 623 HA ALA 80 HA ALA 80 50.025 -44.229 -2.693 624 1HB ALA 80 1HB ALA 80 51.947 -42.970 -1.891 625 2HB ALA 80 2HB ALA 80 50.948 -41.525 -1.741 626 3HB ALA 80 3HB ALA 80 51.262 -42.221 -3.332 627 H ARG 81 H ARG 81 48.493 -42.011 -0.482 628 HA ARG 81 HA ARG 81 49.369 -43.441 1.864 629 1HB ARG 81 2HB ARG 81 47.501 -41.133 1.420 630 2HB ARG 81 1HB ARG 81 47.613 -41.925 2.984 631 1HG ARG 81 2HG ARG 81 50.038 -41.438 3.006 632 2HG ARG 81 1HG ARG 81 49.829 -40.539 1.500 633 1HD ARG 81 2HD ARG 81 48.408 -38.951 2.551 634 2HD ARG 81 1HD ARG 81 48.291 -39.928 4.014 635 HE ARG 81 HE ARG 81 50.977 -39.108 3.356 636 1HH1 ARG 81 1HH1 ARG 81 48.013 -38.221 4.993 637 2HH1 ARG 81 2HH1 ARG 81 48.801 -37.145 6.112 638 1HH2 ARG 81 1HH2 ARG 81 52.013 -37.675 4.806 639 2HH2 ARG 81 2HH2 ARG 81 51.071 -36.836 5.999 640 H THR 82 H THR 82 46.738 -43.536 -0.317 641 HA THR 82 HA THR 82 44.896 -44.935 1.355 642 HB THR 82 HB THR 82 44.926 -45.074 -1.656 643 HG1 THR 82 1HG THR 82 44.081 -42.897 0.001 644 1HG2 THR 82 1HG2 THR 82 43.219 -46.390 -0.491 645 2HG2 THR 82 2HG2 THR 82 42.485 -45.055 -1.376 646 3HG2 THR 82 3HG2 THR 82 42.683 -44.946 0.372 647 H ARG 83 H ARG 83 47.729 -45.773 -0.302 648 HA ARG 83 HA ARG 83 47.085 -48.620 -0.457 649 1HB ARG 83 2HB ARG 83 48.349 -47.465 -2.303 650 2HB ARG 83 1HB ARG 83 49.668 -47.210 -1.170 651 1HG ARG 83 2HG ARG 83 49.829 -49.673 -0.888 652 2HG ARG 83 1HG ARG 83 48.613 -49.849 -2.155 653 1HD ARG 83 2HD ARG 83 50.116 -48.550 -3.669 654 2HD ARG 83 1HD ARG 83 51.348 -48.611 -2.408 655 HE ARG 83 HE ARG 83 50.249 -51.154 -3.311 656 1HH1 ARG 83 1HH1 ARG 83 52.906 -48.862 -3.369 657 2HH1 ARG 83 2HH1 ARG 83 54.011 -49.988 -4.100 658 1HH2 ARG 83 1HH2 ARG 83 51.718 -52.635 -4.221 659 2HH2 ARG 83 2HH2 ARG 83 53.347 -52.121 -4.586 660 H HIS 84 H HIS 84 48.156 -50.176 0.796 661 HA HIS 84 HA HIS 84 49.772 -49.111 3.017 662 1HB HIS 84 2HB HIS 84 47.378 -49.661 3.665 663 2HB HIS 84 1HB HIS 84 47.751 -51.344 3.305 664 HD1 HIS 84 1HD HIS 84 48.244 -48.675 5.819 665 HD2 HIS 84 2HD HIS 84 49.495 -52.588 5.169 666 HE1 HIS 84 1HE HIS 84 49.231 -49.443 8.000 667 HE2 HIS 84 2HE HIS 84 50.017 -51.804 7.585 668 HA PRO 85 HA PRO 85 52.208 -52.525 1.215 669 1HB PRO 85 2HB PRO 85 54.610 -51.368 1.495 670 2HB PRO 85 1HB PRO 85 53.513 -50.909 0.187 671 1HG PRO 85 2HG PRO 85 54.069 -49.514 2.775 672 2HG PRO 85 1HG PRO 85 53.851 -48.826 1.156 673 1HD PRO 85 2HD PRO 85 51.894 -48.911 3.094 674 2HD PRO 85 1HD PRO 85 51.581 -48.794 1.353 675 H ALA 86 H ALA 86 54.318 -53.548 2.186 676 HA ALA 86 HA ALA 86 54.718 -53.282 5.009 677 1HB ALA 86 1HB ALA 86 53.306 -55.792 4.093 678 2HB ALA 86 2HB ALA 86 52.559 -54.482 5.009 679 3HB ALA 86 3HB ALA 86 53.861 -55.430 5.729 680 H GLU 87 H GLU 87 56.810 -53.676 5.255 681 HA GLU 87 HA GLU 87 58.271 -55.343 3.407 682 1HB GLU 87 2HB GLU 87 60.232 -54.817 4.813 683 2HB GLU 87 1HB GLU 87 59.369 -53.367 4.325 684 1HG GLU 87 2HG GLU 87 58.911 -54.657 6.991 685 2HG GLU 87 1HG GLU 87 60.222 -53.511 6.725 686 H SER 88 H SER 88 56.603 -55.723 6.365 687 HA SER 88 HA SER 88 58.068 -57.868 7.484 688 1HB SER 88 2HB SER 88 55.854 -58.184 8.777 689 2HB SER 88 1HB SER 88 56.720 -56.658 8.975 690 HG SER 88 HG SER 88 55.059 -55.662 8.175 691 H CYS 89 H CYS 89 55.402 -57.738 5.181 692 HA CYS 89 HA CYS 89 54.904 -60.557 5.333 693 1HB CYS 89 2HB CYS 89 53.451 -60.184 3.355 694 2HB CYS 89 1HB CYS 89 53.073 -59.127 4.710 695 HG CYS 89 HG CYS 89 54.168 -58.349 1.627 696 H LEU 90 H LEU 90 56.984 -58.502 3.518 697 HA LEU 90 HA LEU 90 57.649 -60.330 1.451 698 1HB LEU 90 2HB LEU 90 58.147 -57.912 1.345 699 2HB LEU 90 1HB LEU 90 59.307 -58.101 2.646 700 HG LEU 90 HG LEU 90 60.657 -59.587 1.189 701 1HD1 LEU 90 1HD1 LEU 90 58.657 -58.798 -0.926 702 2HD1 LEU 90 2HD1 LEU 90 58.893 -60.413 -0.260 703 3HD1 LEU 90 3HD1 LEU 90 60.170 -59.659 -1.214 704 1HD2 LEU 90 1HD2 LEU 90 61.504 -57.817 -0.275 705 2HD2 LEU 90 2HD2 LEU 90 61.179 -57.214 1.350 706 3HD2 LEU 90 3HD2 LEU 90 60.053 -56.862 0.039 707 H GLU 91 H GLU 91 58.961 -59.636 4.640 708 HA GLU 91 HA GLU 91 61.038 -61.576 4.586 709 1HB GLU 91 2HB GLU 91 60.657 -59.552 6.179 710 2HB GLU 91 1HB GLU 91 59.619 -60.645 7.078 711 1HG GLU 91 2HG GLU 91 62.495 -61.260 6.466 712 2HG GLU 91 1HG GLU 91 61.981 -60.399 7.914 713 H HIS 92 H HIS 92 57.814 -61.537 6.058 714 HA HIS 92 HA HIS 92 56.389 -63.129 6.775 715 1HB HIS 92 2HB HIS 92 55.739 -64.799 5.173 716 2HB HIS 92 1HB HIS 92 56.120 -63.310 4.327 717 HD1 HIS 92 1HD HIS 92 58.097 -63.368 2.673 718 HD2 HIS 92 2HD HIS 92 57.448 -66.971 4.640 719 HE1 HIS 92 1HE HIS 92 59.438 -65.079 1.414 720 HE2 HIS 92 2HE HIS 92 58.793 -67.278 2.460 721 H HIS 93 H HIS 93 59.195 -63.418 7.686 722 HA HIS 93 HA HIS 93 60.276 -64.654 9.199 723 1HB HIS 93 2HB HIS 93 57.670 -66.157 9.326 724 2HB HIS 93 1HB HIS 93 59.029 -66.459 10.407 725 HD1 HIS 93 1HD HIS 93 59.353 -63.035 10.092 726 HD2 HIS 93 2HD HIS 93 56.461 -65.417 11.916 727 HE1 HIS 93 1HE HIS 93 58.194 -61.545 11.761 728 HE2 HIS 93 2HE HIS 93 56.317 -62.951 12.699 729 H HIS 94 H HIS 94 61.870 -65.349 7.911 730 HA HIS 94 HA HIS 94 61.718 -67.861 6.512 731 1HB HIS 94 2HB HIS 94 64.056 -66.089 7.258 732 2HB HIS 94 1HB HIS 94 64.226 -67.581 6.340 733 HD1 HIS 94 1HD HIS 94 62.637 -64.156 6.092 734 HD2 HIS 94 2HD HIS 94 63.744 -67.342 3.652 735 HE1 HIS 94 1HE HIS 94 62.378 -63.331 3.731 736 HE2 HIS 94 2HE HIS 94 62.820 -65.345 2.282 737 H HIS 95 H HIS 95 62.438 -66.797 9.700 738 HA HIS 95 HA HIS 95 63.540 -69.321 10.579 739 1HB HIS 95 2HB HIS 95 64.228 -67.241 11.695 740 2HB HIS 95 1HB HIS 95 62.556 -66.906 12.131 741 HD1 HIS 95 1HD HIS 95 61.678 -67.930 14.263 742 HD2 HIS 95 2HD HIS 95 65.388 -69.465 13.151 743 HE1 HIS 95 1HE HIS 95 62.460 -69.310 16.217 744 HE2 HIS 95 2HE HIS 95 64.698 -70.239 15.529 745 H HIS 96 H HIS 96 62.428 -70.781 11.991 746 HA HIS 96 HA HIS 96 60.679 -72.003 12.756 747 1HB HIS 96 2HB HIS 96 59.590 -70.217 13.825 748 2HB HIS 96 1HB HIS 96 59.210 -69.412 12.310 749 HD1 HIS 96 1HD HIS 96 58.274 -72.783 13.881 750 HD2 HIS 96 2HD HIS 96 56.599 -69.611 11.768 751 HE1 HIS 96 1HE HIS 96 55.835 -73.348 13.616 752 HE2 HIS 96 2HE HIS 96 54.861 -71.465 12.247 753 H HIS 97 H HIS 97 60.750 -73.559 11.328 754 HA HIS 97 HA HIS 97 59.054 -73.329 8.940 755 1HB HIS 97 2HB HIS 97 61.422 -73.149 8.288 756 2HB HIS 97 1HB HIS 97 61.763 -74.669 9.105 757 HD1 HIS 97 1HD HIS 97 60.880 -76.864 7.948 758 HD2 HIS 97 2HD HIS 97 60.320 -73.368 5.758 759 HE1 HIS 97 1HE HIS 97 60.355 -77.605 5.605 760 HE2 HIS 97 2HE HIS 97 60.300 -75.478 4.258 Start of MODEL 5 1 1H MET 1 1HT MET 1 -10.009 10.044 -1.632 2 2H MET 1 2HT MET 1 -9.479 11.168 -0.478 3 3H MET 1 3HT MET 1 -8.911 9.567 -0.432 4 HA MET 1 HA MET 1 -8.432 11.449 -2.666 5 1HB MET 1 2HB MET 1 -6.141 11.657 -1.814 6 2HB MET 1 1HB MET 1 -7.305 12.240 -0.632 7 1HG MET 1 2HG MET 1 -7.104 10.130 0.598 8 2HG MET 1 1HG MET 1 -5.930 9.558 -0.585 9 1HE MET 1 1HE MET 1 -5.203 13.127 2.242 10 2HE MET 1 2HE MET 1 -6.674 12.151 2.267 11 3HE MET 1 3HE MET 1 -6.320 13.183 0.882 12 HA PRO 2 HA PRO 2 -7.347 7.716 -4.782 13 1HB PRO 2 2HB PRO 2 -5.630 9.325 -6.518 14 2HB PRO 2 1HB PRO 2 -7.114 8.454 -6.911 15 1HG PRO 2 2HG PRO 2 -6.989 11.141 -6.840 16 2HG PRO 2 1HG PRO 2 -8.456 10.250 -6.412 17 1HD PRO 2 2HD PRO 2 -6.412 11.515 -4.622 18 2HD PRO 2 1HD PRO 2 -8.181 11.480 -4.465 19 H THR 3 H THR 3 -5.889 6.268 -4.270 20 HA THR 3 HA THR 3 -3.530 6.990 -2.840 21 HB THR 3 HB THR 3 -3.163 4.385 -3.130 22 HG1 THR 3 1HG THR 3 -4.779 3.898 -4.554 23 1HG2 THR 3 1HG2 THR 3 -4.570 4.035 -1.147 24 2HG2 THR 3 2HG2 THR 3 -5.341 5.597 -1.425 25 3HG2 THR 3 3HG2 THR 3 -3.627 5.520 -1.017 26 H LYS 4 H LYS 4 -1.795 7.718 -3.808 27 HA LYS 4 HA LYS 4 -0.440 6.088 -5.758 28 1HB LYS 4 2HB LYS 4 -1.866 7.537 -7.187 29 2HB LYS 4 1HB LYS 4 -1.142 8.955 -6.447 30 1HG LYS 4 2HG LYS 4 -0.160 8.546 -8.617 31 2HG LYS 4 1HG LYS 4 1.043 8.298 -7.350 32 1HD LYS 4 2HD LYS 4 0.780 5.904 -7.514 33 2HD LYS 4 1HD LYS 4 -0.539 6.094 -8.669 34 1HE LYS 4 2HE LYS 4 1.521 5.505 -9.819 35 2HE LYS 4 1HE LYS 4 1.013 7.136 -10.257 36 1HZ LYS 4 1HZ LYS 4 3.157 6.402 -8.344 37 2HZ LYS 4 2HZ LYS 4 2.619 7.987 -8.604 38 3HZ LYS 4 3HZ LYS 4 3.359 7.123 -9.861 39 H THR 5 H THR 5 0.993 5.877 -4.024 40 HA THR 5 HA THR 5 2.918 8.040 -3.782 41 HB THR 5 HB THR 5 1.797 6.911 -1.223 42 HG1 THR 5 1HG THR 5 0.753 8.965 -2.831 43 1HG2 THR 5 1HG2 THR 5 3.970 8.018 -1.098 44 2HG2 THR 5 2HG2 THR 5 2.741 8.958 -0.253 45 3HG2 THR 5 3HG2 THR 5 3.288 9.460 -1.852 46 H TYR 6 H TYR 6 4.860 7.283 -2.555 47 HA TYR 6 HA TYR 6 5.130 4.358 -2.645 48 1HB TYR 6 2HB TYR 6 7.167 6.420 -3.475 49 2HB TYR 6 1HB TYR 6 7.448 4.689 -3.414 50 HD1 TYR 6 1HD TYR 6 6.248 7.419 -5.396 51 HD2 TYR 6 2HD TYR 6 6.046 3.197 -4.917 52 HE1 TYR 6 1HE TYR 6 5.410 7.201 -7.698 53 HE2 TYR 6 2HE TYR 6 5.218 2.963 -7.212 54 HH TYR 6 HH TYR 6 5.378 5.414 -9.487 55 H SER 7 H SER 7 5.882 3.466 -0.870 56 HA SER 7 HA SER 7 7.733 4.870 0.847 57 1HB SER 7 2HB SER 7 5.091 3.812 1.892 58 2HB SER 7 1HB SER 7 6.399 4.467 2.876 59 HG SER 7 HG SER 7 5.785 6.217 0.944 60 H GLU 8 H GLU 8 8.604 3.316 2.535 61 HA GLU 8 HA GLU 8 9.513 1.088 1.022 62 1HB GLU 8 2HB GLU 8 10.047 1.807 3.906 63 2HB GLU 8 1HB GLU 8 10.933 0.608 2.971 64 1HG GLU 8 2HG GLU 8 10.771 3.540 2.318 65 2HG GLU 8 1HG GLU 8 12.117 2.750 3.135 66 H GLU 9 H GLU 9 7.651 1.249 4.081 67 HA GLU 9 HA GLU 9 7.385 -1.533 4.323 68 1HB GLU 9 2HB GLU 9 5.813 -1.078 6.034 69 2HB GLU 9 1HB GLU 9 7.067 0.122 6.154 70 1HG GLU 9 2HG GLU 9 4.338 0.535 4.967 71 2HG GLU 9 1HG GLU 9 4.868 1.060 6.564 72 H PHE 10 H PHE 10 5.521 0.897 2.684 73 HA PHE 10 HA PHE 10 3.268 -0.466 1.883 74 1HB PHE 10 2HB PHE 10 3.881 1.928 1.329 75 2HB PHE 10 1HB PHE 10 4.943 1.296 0.081 76 HD1 PHE 10 1HD PHE 10 4.133 0.901 -2.059 77 HD2 PHE 10 2HD PHE 10 1.391 1.304 1.175 78 HE1 PHE 10 1HE PHE 10 2.255 0.899 -3.651 79 HE2 PHE 10 2HE PHE 10 -0.489 1.298 -0.413 80 HZ PHE 10 HZ PHE 10 -0.055 1.094 -2.830 81 H LYS 11 H LYS 11 6.476 -0.508 0.352 82 HA LYS 11 HA LYS 11 5.781 -2.406 -1.650 83 1HB LYS 11 2HB LYS 11 8.561 -1.815 -0.642 84 2HB LYS 11 1HB LYS 11 8.088 -2.387 -2.236 85 1HG LYS 11 2HG LYS 11 7.137 -0.277 -2.795 86 2HG LYS 11 1HG LYS 11 7.351 0.314 -1.144 87 1HD LYS 11 2HD LYS 11 9.827 -0.065 -1.463 88 2HD LYS 11 1HD LYS 11 9.479 -0.333 -3.170 89 1HE LYS 11 2HE LYS 11 8.719 1.871 -3.471 90 2HE LYS 11 1HE LYS 11 8.603 2.150 -1.732 91 1HZ LYS 11 1HZ LYS 11 10.978 2.092 -1.553 92 2HZ LYS 11 2HZ LYS 11 10.550 3.214 -2.755 93 3HZ LYS 11 3HZ LYS 11 11.144 1.688 -3.196 94 H ARG 12 H ARG 12 7.261 -2.615 1.558 95 HA ARG 12 HA ARG 12 8.124 -5.272 1.511 96 1HB ARG 12 2HB ARG 12 6.922 -3.809 3.871 97 2HB ARG 12 1HB ARG 12 7.889 -5.269 3.955 98 1HG ARG 12 2HG ARG 12 9.788 -3.949 2.976 99 2HG ARG 12 1HG ARG 12 8.789 -2.506 3.188 100 1HD ARG 12 2HD ARG 12 8.524 -3.307 5.617 101 2HD ARG 12 1HD ARG 12 9.903 -4.347 5.277 102 HE ARG 12 HE ARG 12 10.182 -1.479 4.779 103 1HH1 ARG 12 1HH1 ARG 12 11.025 -4.307 6.672 104 2HH1 ARG 12 2HH1 ARG 12 12.226 -3.472 7.618 105 1HH2 ARG 12 1HH2 ARG 12 11.744 -0.361 6.060 106 2HH2 ARG 12 2HH2 ARG 12 12.602 -1.238 7.298 107 H ASP 13 H ASP 13 4.970 -3.914 2.367 108 HA ASP 13 HA ASP 13 3.740 -6.337 3.101 109 1HB ASP 13 2HB ASP 13 2.759 -4.215 3.730 110 2HB ASP 13 1HB ASP 13 2.544 -3.770 2.041 111 H ALA 14 H ALA 14 4.102 -4.728 -0.005 112 HA ALA 14 HA ALA 14 2.340 -6.349 -1.495 113 1HB ALA 14 1HB ALA 14 3.205 -4.211 -2.316 114 2HB ALA 14 2HB ALA 14 3.520 -5.517 -3.457 115 3HB ALA 14 3HB ALA 14 4.822 -4.910 -2.434 116 H VAL 15 H VAL 15 5.766 -6.699 -0.691 117 HA VAL 15 HA VAL 15 6.177 -9.042 -2.241 118 HB VAL 15 HB VAL 15 7.687 -8.117 0.217 119 1HG1 VAL 15 1HG1 VAL 15 9.510 -9.500 -0.626 120 2HG1 VAL 15 2HG1 VAL 15 8.477 -10.064 -1.941 121 3HG1 VAL 15 3HG1 VAL 15 8.078 -10.467 -0.270 122 1HG2 VAL 15 1HG2 VAL 15 9.297 -7.174 -1.379 123 2HG2 VAL 15 2HG2 VAL 15 7.708 -6.427 -1.535 124 3HG2 VAL 15 3HG2 VAL 15 8.234 -7.630 -2.711 125 H ALA 16 H ALA 16 5.219 -8.458 1.109 126 HA ALA 16 HA ALA 16 5.124 -11.180 1.891 127 1HB ALA 16 1HB ALA 16 3.813 -10.397 3.795 128 2HB ALA 16 2HB ALA 16 3.599 -8.830 3.015 129 3HB ALA 16 3HB ALA 16 5.207 -9.349 3.516 130 H LEU 17 H LEU 17 2.913 -9.082 0.204 131 HA LEU 17 HA LEU 17 0.601 -10.689 0.360 132 1HB LEU 17 2HB LEU 17 1.561 -8.703 -1.692 133 2HB LEU 17 1HB LEU 17 0.029 -9.539 -1.852 134 HG LEU 17 HG LEU 17 0.781 -7.739 0.453 135 1HD1 LEU 17 1HD1 LEU 17 -0.804 -6.159 -0.523 136 2HD1 LEU 17 2HD1 LEU 17 -1.041 -7.238 -1.899 137 3HD1 LEU 17 3HD1 LEU 17 0.533 -6.489 -1.625 138 1HD2 LEU 17 1HD2 LEU 17 -0.803 -9.463 1.099 139 2HD2 LEU 17 2HD2 LEU 17 -1.832 -9.059 -0.275 140 3HD2 LEU 17 3HD2 LEU 17 -1.598 -7.891 1.025 141 H TYR 18 H TYR 18 3.458 -10.800 -1.654 142 HA TYR 18 HA TYR 18 2.458 -12.694 -3.529 143 1HB TYR 18 2HB TYR 18 4.458 -11.196 -3.888 144 2HB TYR 18 1HB TYR 18 5.351 -12.224 -2.771 145 HD1 TYR 18 1HD TYR 18 3.588 -12.182 -6.023 146 HD2 TYR 18 2HD TYR 18 6.312 -14.274 -3.508 147 HE1 TYR 18 1HE TYR 18 4.161 -13.672 -7.891 148 HE2 TYR 18 2HE TYR 18 6.888 -15.770 -5.372 149 HH TYR 18 HH TYR 18 5.752 -16.572 -7.500 150 H GLU 19 H GLU 19 3.886 -12.905 -0.354 151 HA GLU 19 HA GLU 19 4.430 -15.702 -0.411 152 1HB GLU 19 2HB GLU 19 3.893 -13.912 1.971 153 2HB GLU 19 1HB GLU 19 4.595 -15.523 2.034 154 1HG GLU 19 2HG GLU 19 6.491 -14.699 0.677 155 2HG GLU 19 1HG GLU 19 5.807 -13.076 0.782 156 H ASN 20 H ASN 20 1.602 -13.819 -0.093 157 HA ASN 20 HA ASN 20 0.059 -16.039 1.036 158 1HB ASN 20 2HB ASN 20 -0.507 -13.092 0.737 159 2HB ASN 20 1HB ASN 20 -1.774 -14.247 1.136 160 1HD2 ASN 20 1HD2 ASN 20 1.125 -12.676 2.244 161 2HD2 ASN 20 2HD2 ASN 20 0.947 -13.102 3.911 162 H SER 21 H SER 21 1.113 -15.719 -1.772 163 HA SER 21 HA SER 21 -1.040 -15.239 -3.527 164 1HB SER 21 2HB SER 21 0.421 -16.479 -5.184 165 2HB SER 21 1HB SER 21 1.156 -15.092 -4.387 166 HG SER 21 HG SER 21 2.521 -16.349 -3.379 167 H ASP 22 H ASP 22 -0.462 -17.785 -1.445 168 HA ASP 22 HA ASP 22 -1.203 -20.122 -2.587 169 1HB ASP 22 2HB ASP 22 -0.679 -19.922 -0.219 170 2HB ASP 22 1HB ASP 22 -2.182 -19.049 0.059 171 H GLY 23 H GLY 23 -3.420 -17.555 -1.614 172 1HA GLY 23 2HA GLY 23 -5.522 -18.931 -3.172 173 2HA GLY 23 1HA GLY 23 -5.863 -18.103 -1.658 174 H ALA 24 H ALA 24 -3.655 -16.897 -4.122 175 HA ALA 24 HA ALA 24 -5.595 -15.059 -5.195 176 1HB ALA 24 1HB ALA 24 -3.354 -13.979 -3.485 177 2HB ALA 24 2HB ALA 24 -5.073 -13.942 -3.090 178 3HB ALA 24 3HB ALA 24 -4.461 -13.014 -4.461 179 H SER 25 H SER 25 -5.093 -14.666 -7.230 180 HA SER 25 HA SER 25 -2.630 -15.490 -8.395 181 1HB SER 25 2HB SER 25 -4.677 -15.551 -9.693 182 2HB SER 25 1HB SER 25 -4.909 -13.816 -9.484 183 HG SER 25 HG SER 25 -3.949 -14.575 -11.541 184 H LEU 26 H LEU 26 -1.078 -14.140 -9.489 185 HA LEU 26 HA LEU 26 -0.157 -11.953 -7.984 186 1HB LEU 26 2HB LEU 26 1.204 -13.392 -9.542 187 2HB LEU 26 1HB LEU 26 0.480 -12.533 -10.883 188 HG LEU 26 HG LEU 26 1.992 -11.030 -8.762 189 1HD1 LEU 26 1HD1 LEU 26 3.455 -12.842 -9.526 190 2HD1 LEU 26 2HD1 LEU 26 4.014 -11.273 -10.107 191 3HD1 LEU 26 3HD1 LEU 26 3.165 -12.369 -11.199 192 1HD2 LEU 26 1HD2 LEU 26 0.702 -9.718 -10.349 193 2HD2 LEU 26 2HD2 LEU 26 1.469 -10.556 -11.696 194 3HD2 LEU 26 3HD2 LEU 26 2.426 -9.507 -10.651 195 H GLN 27 H GLN 27 -2.109 -12.161 -10.909 196 HA GLN 27 HA GLN 27 -2.270 -9.429 -11.514 197 1HB GLN 27 2HB GLN 27 -3.102 -11.274 -12.985 198 2HB GLN 27 1HB GLN 27 -4.455 -11.493 -11.883 199 1HG GLN 27 2HG GLN 27 -5.256 -10.176 -13.679 200 2HG GLN 27 1HG GLN 27 -5.058 -9.095 -12.306 201 1HE2 GLN 27 1HE2 GLN 27 -4.924 -7.311 -13.650 202 2HE2 GLN 27 2HE2 GLN 27 -3.511 -6.963 -14.583 203 H GLN 28 H GLN 28 -4.197 -11.470 -9.366 204 HA GLN 28 HA GLN 28 -6.122 -9.536 -8.673 205 1HB GLN 28 2HB GLN 28 -6.452 -11.930 -8.285 206 2HB GLN 28 1HB GLN 28 -5.145 -11.939 -7.111 207 1HG GLN 28 2HG GLN 28 -7.315 -11.943 -6.015 208 2HG GLN 28 1HG GLN 28 -6.426 -10.463 -5.655 209 1HE2 GLN 28 1HE2 GLN 28 -7.160 -8.509 -6.477 210 2HE2 GLN 28 2HE2 GLN 28 -8.745 -8.329 -7.150 211 H ILE 29 H ILE 29 -2.984 -10.363 -7.264 212 HA ILE 29 HA ILE 29 -3.171 -8.749 -4.971 213 HB ILE 29 HB ILE 29 -0.695 -9.475 -6.544 214 1HG1 ILE 29 2HG1 ILE 29 -1.948 -11.438 -5.768 215 2HG1 ILE 29 1HG1 ILE 29 -0.433 -11.268 -4.887 216 1HG2 ILE 29 1HG2 ILE 29 -0.300 -7.578 -5.073 217 2HG2 ILE 29 2HG2 ILE 29 0.518 -9.017 -4.465 218 3HG2 ILE 29 3HG2 ILE 29 -0.981 -8.471 -3.711 219 1HD1 ILE 29 1HD1 ILE 29 -2.242 -11.916 -3.408 220 2HD1 ILE 29 2HD1 ILE 29 -3.164 -10.489 -3.882 221 3HD1 ILE 29 3HD1 ILE 29 -1.648 -10.307 -2.996 222 H ALA 30 H ALA 30 -1.725 -8.047 -8.149 223 HA ALA 30 HA ALA 30 -1.141 -5.331 -7.592 224 1HB ALA 30 1HB ALA 30 -1.591 -6.652 -10.266 225 2HB ALA 30 2HB ALA 30 -0.059 -6.596 -9.392 226 3HB ALA 30 3HB ALA 30 -0.790 -5.105 -9.988 227 H ASN 31 H ASN 31 -3.928 -6.973 -8.880 228 HA ASN 31 HA ASN 31 -5.364 -4.731 -9.843 229 1HB ASN 31 2HB ASN 31 -5.738 -7.209 -10.342 230 2HB ASN 31 1HB ASN 31 -6.561 -7.297 -8.792 231 1HD2 ASN 31 1HD2 ASN 31 -6.695 -6.186 -12.052 232 2HD2 ASN 31 2HD2 ASN 31 -8.366 -5.765 -12.052 233 H ASP 32 H ASP 32 -5.151 -6.311 -6.718 234 HA ASP 32 HA ASP 32 -7.350 -4.890 -5.542 235 1HB ASP 32 2HB ASP 32 -6.575 -7.130 -4.762 236 2HB ASP 32 1HB ASP 32 -5.098 -6.377 -4.173 237 H LEU 33 H LEU 33 -3.878 -4.465 -5.706 238 HA LEU 33 HA LEU 33 -3.861 -2.263 -3.861 239 1HB LEU 33 2HB LEU 33 -1.962 -3.862 -4.151 240 2HB LEU 33 1HB LEU 33 -1.702 -3.203 -5.755 241 HG LEU 33 HG LEU 33 -1.204 -1.018 -4.777 242 1HD1 LEU 33 1HD1 LEU 33 -0.879 -0.814 -2.350 243 2HD1 LEU 33 2HD1 LEU 33 -1.530 -2.440 -2.142 244 3HD1 LEU 33 3HD1 LEU 33 -2.558 -1.153 -2.771 245 1HD2 LEU 33 1HD2 LEU 33 0.406 -3.284 -3.614 246 2HD2 LEU 33 2HD2 LEU 33 0.949 -1.613 -3.765 247 3HD2 LEU 33 3HD2 LEU 33 0.618 -2.567 -5.212 248 H GLY 34 H GLY 34 -4.175 -2.759 -7.280 249 1HA GLY 34 2HA GLY 34 -5.307 -1.193 -8.642 250 2HA GLY 34 1HA GLY 34 -4.816 0.086 -7.542 251 H ILE 35 H ILE 35 -2.259 -2.008 -8.312 252 HA ILE 35 HA ILE 35 -1.224 0.031 -10.167 253 HB ILE 35 HB ILE 35 1.035 -0.663 -9.510 254 1HG1 ILE 35 2HG1 ILE 35 -0.321 -2.372 -7.412 255 2HG1 ILE 35 1HG1 ILE 35 0.421 -3.002 -8.882 256 1HG2 ILE 35 1HG2 ILE 35 -0.732 0.093 -7.190 257 2HG2 ILE 35 2HG2 ILE 35 -0.021 1.197 -8.365 258 3HG2 ILE 35 3HG2 ILE 35 1.018 0.299 -7.259 259 1HD1 ILE 35 1HD1 ILE 35 2.581 -2.117 -8.150 260 2HD1 ILE 35 2HD1 ILE 35 1.901 -3.254 -6.987 261 3HD1 ILE 35 3HD1 ILE 35 1.829 -1.520 -6.670 262 H ASN 36 H ASN 36 0.522 -0.855 -11.658 263 HA ASN 36 HA ASN 36 -0.584 -2.847 -13.313 264 1HB ASN 36 2HB ASN 36 0.760 -1.053 -14.214 265 2HB ASN 36 1HB ASN 36 2.132 -1.527 -13.230 266 1HD2 ASN 36 1HD2 ASN 36 3.465 -1.751 -14.954 267 2HD2 ASN 36 2HD2 ASN 36 3.323 -3.042 -16.085 268 H ARG 37 H ARG 37 0.041 -4.955 -13.679 269 HA ARG 37 HA ARG 37 0.908 -6.463 -11.502 270 1HB ARG 37 2HB ARG 37 0.969 -8.330 -13.091 271 2HB ARG 37 1HB ARG 37 -0.496 -7.386 -13.257 272 1HG ARG 37 2HG ARG 37 0.408 -6.301 -15.232 273 2HG ARG 37 1HG ARG 37 1.915 -7.204 -15.052 274 1HD ARG 37 2HD ARG 37 0.634 -9.304 -15.294 275 2HD ARG 37 1HD ARG 37 -0.821 -8.350 -15.580 276 HE ARG 37 HE ARG 37 0.867 -7.404 -17.461 277 1HH1 ARG 37 1HH1 ARG 37 -0.120 -10.651 -16.569 278 2HH1 ARG 37 2HH1 ARG 37 0.145 -11.304 -18.163 279 1HH2 ARG 37 1HH2 ARG 37 1.196 -8.242 -19.550 280 2HH2 ARG 37 2HH2 ARG 37 0.890 -9.923 -19.871 281 H VAL 38 H VAL 38 2.635 -5.128 -14.247 282 HA VAL 38 HA VAL 38 5.058 -6.562 -13.764 283 HB VAL 38 HB VAL 38 4.661 -4.019 -15.354 284 1HG1 VAL 38 1HG1 VAL 38 6.724 -4.655 -16.496 285 2HG1 VAL 38 2HG1 VAL 38 6.881 -6.057 -15.437 286 3HG1 VAL 38 3HG1 VAL 38 6.992 -4.431 -14.765 287 1HG2 VAL 38 1HG2 VAL 38 4.516 -5.473 -17.313 288 2HG2 VAL 38 2HG2 VAL 38 3.227 -5.827 -16.163 289 3HG2 VAL 38 3HG2 VAL 38 4.628 -6.893 -16.274 290 H THR 39 H THR 39 3.836 -3.345 -12.939 291 HA THR 39 HA THR 39 6.185 -2.356 -11.747 292 HB THR 39 HB THR 39 3.337 -1.681 -10.972 293 HG1 THR 39 1HG THR 39 4.965 -0.842 -13.160 294 1HG2 THR 39 1HG2 THR 39 5.050 -0.753 -9.480 295 2HG2 THR 39 2HG2 THR 39 4.278 0.519 -10.426 296 3HG2 THR 39 3HG2 THR 39 5.886 -0.054 -10.868 297 H LEU 40 H LEU 40 3.439 -4.179 -10.423 298 HA LEU 40 HA LEU 40 4.291 -4.292 -7.747 299 1HB LEU 40 2HB LEU 40 2.058 -4.990 -8.435 300 2HB LEU 40 1HB LEU 40 2.729 -6.307 -9.378 301 HG LEU 40 HG LEU 40 3.646 -7.227 -7.192 302 1HD1 LEU 40 1HD1 LEU 40 2.464 -6.505 -5.157 303 2HD1 LEU 40 2HD1 LEU 40 1.734 -5.188 -6.074 304 3HD1 LEU 40 3HD1 LEU 40 3.480 -5.235 -5.838 305 1HD2 LEU 40 1HD2 LEU 40 1.511 -8.251 -6.595 306 2HD2 LEU 40 2HD2 LEU 40 1.728 -8.185 -8.345 307 3HD2 LEU 40 3HD2 LEU 40 0.662 -7.032 -7.544 308 H LYS 41 H LYS 41 4.866 -6.431 -10.494 309 HA LYS 41 HA LYS 41 6.357 -8.416 -9.236 310 1HB LYS 41 2HB LYS 41 5.410 -8.397 -11.593 311 2HB LYS 41 1HB LYS 41 6.809 -7.443 -12.054 312 1HG LYS 41 2HG LYS 41 8.270 -9.277 -11.265 313 2HG LYS 41 1HG LYS 41 6.823 -10.239 -10.948 314 1HD LYS 41 2HD LYS 41 6.202 -10.031 -13.323 315 2HD LYS 41 1HD LYS 41 7.698 -9.141 -13.618 316 1HE LYS 41 2HE LYS 41 8.978 -11.098 -12.833 317 2HE LYS 41 1HE LYS 41 7.466 -11.980 -12.631 318 1HZ LYS 41 1HZ LYS 41 7.066 -11.610 -15.041 319 2HZ LYS 41 2HZ LYS 41 8.411 -12.588 -14.706 320 3HZ LYS 41 3HZ LYS 41 8.634 -10.972 -15.167 321 H ASN 42 H ASN 42 7.361 -5.381 -10.706 322 HA ASN 42 HA ASN 42 10.116 -5.679 -10.607 323 1HB ASN 42 2HB ASN 42 8.358 -3.246 -10.419 324 2HB ASN 42 1HB ASN 42 10.110 -3.109 -10.354 325 1HD2 ASN 42 1HD2 ASN 42 8.276 -2.081 -12.344 326 2HD2 ASN 42 2HD2 ASN 42 8.751 -2.776 -13.853 327 H TRP 43 H TRP 43 7.960 -4.413 -8.055 328 HA TRP 43 HA TRP 43 10.033 -3.932 -6.185 329 1HB TRP 43 2HB TRP 43 7.083 -4.448 -5.789 330 2HB TRP 43 1HB TRP 43 8.179 -4.089 -4.462 331 HD1 TRP 43 HD TRP 43 9.650 -1.878 -6.698 332 HE1 TRP 43 1HE TRP 43 8.563 0.456 -6.740 333 HE3 TRP 43 3HE TRP 43 5.203 -3.009 -4.443 334 HZ2 TRP 43 2HZ TRP 43 6.139 1.655 -5.923 335 HZ3 TRP 43 3HZ TRP 43 3.556 -1.214 -4.107 336 HH2 TRP 43 HH TRP 43 4.019 1.071 -4.829 337 H ILE 44 H ILE 44 7.967 -6.724 -6.809 338 HA ILE 44 HA ILE 44 8.768 -8.275 -4.615 339 HB ILE 44 HB ILE 44 7.784 -9.213 -7.316 340 1HG1 ILE 44 2HG1 ILE 44 6.262 -8.718 -4.742 341 2HG1 ILE 44 1HG1 ILE 44 6.242 -7.661 -6.155 342 1HG2 ILE 44 1HG2 ILE 44 8.876 -11.010 -6.120 343 2HG2 ILE 44 2HG2 ILE 44 7.133 -11.265 -6.136 344 3HG2 ILE 44 3HG2 ILE 44 7.923 -10.671 -4.675 345 1HD1 ILE 44 1HD1 ILE 44 5.280 -10.515 -6.092 346 2HD1 ILE 44 2HD1 ILE 44 5.209 -9.408 -7.464 347 3HD1 ILE 44 3HD1 ILE 44 4.266 -9.075 -6.015 348 H ILE 45 H ILE 45 10.088 -7.986 -7.892 349 HA ILE 45 HA ILE 45 11.951 -10.121 -7.586 350 HB ILE 45 HB ILE 45 11.879 -7.865 -9.597 351 1HG1 ILE 45 2HG1 ILE 45 11.045 -10.767 -9.784 352 2HG1 ILE 45 1HG1 ILE 45 9.954 -9.389 -9.678 353 1HG2 ILE 45 1HG2 ILE 45 14.153 -8.753 -9.378 354 2HG2 ILE 45 2HG2 ILE 45 13.440 -9.180 -10.932 355 3HG2 ILE 45 3HG2 ILE 45 13.544 -10.387 -9.650 356 1HD1 ILE 45 1HD1 ILE 45 11.855 -9.980 -11.937 357 2HD1 ILE 45 2HD1 ILE 45 10.790 -8.578 -11.831 358 3HD1 ILE 45 3HD1 ILE 45 10.105 -10.198 -11.950 359 H LYS 46 H LYS 46 12.092 -6.669 -6.951 360 HA LYS 46 HA LYS 46 14.974 -6.705 -6.699 361 1HB LYS 46 2HB LYS 46 13.777 -4.723 -7.593 362 2HB LYS 46 1HB LYS 46 13.044 -4.486 -6.012 363 1HG LYS 46 2HG LYS 46 15.279 -4.193 -5.033 364 2HG LYS 46 1HG LYS 46 15.989 -4.378 -6.635 365 1HD LYS 46 2HD LYS 46 14.771 -2.393 -7.396 366 2HD LYS 46 1HD LYS 46 14.071 -2.212 -5.785 367 1HE LYS 46 2HE LYS 46 16.316 -1.936 -4.843 368 2HE LYS 46 1HE LYS 46 17.013 -2.107 -6.454 369 1HZ LYS 46 1HZ LYS 46 15.188 0.059 -5.551 370 2HZ LYS 46 2HZ LYS 46 15.786 -0.117 -7.130 371 3HZ LYS 46 3HZ LYS 46 16.851 0.208 -5.853 372 H TYR 47 H TYR 47 12.211 -6.319 -4.495 373 HA TYR 47 HA TYR 47 13.988 -6.192 -2.206 374 1HB TYR 47 2HB TYR 47 10.979 -6.067 -2.447 375 2HB TYR 47 1HB TYR 47 11.835 -5.982 -0.912 376 HD1 TYR 47 1HD TYR 47 11.406 -4.265 -4.176 377 HD2 TYR 47 2HD TYR 47 12.754 -3.950 -0.150 378 HE1 TYR 47 1HE TYR 47 11.662 -1.836 -4.458 379 HE2 TYR 47 2HE TYR 47 13.009 -1.521 -0.419 380 HH TYR 47 HH TYR 47 13.267 0.129 -2.098 381 H GLY 48 H GLY 48 11.671 -8.458 -3.604 382 1HA GLY 48 2HA GLY 48 12.513 -10.454 -1.597 383 2HA GLY 48 1HA GLY 48 11.015 -10.523 -2.516 384 H SER 49 H SER 49 14.433 -10.089 -3.306 385 HA SER 49 HA SER 49 14.329 -11.110 -5.874 386 1HB SER 49 2HB SER 49 16.185 -9.765 -5.019 387 2HB SER 49 1HB SER 49 16.675 -11.088 -3.963 388 HG SER 49 HG SER 49 16.798 -10.907 -6.786 389 H ASN 50 H ASN 50 14.406 -12.841 -2.889 390 HA ASN 50 HA ASN 50 14.234 -15.063 -2.403 391 1HB ASN 50 2HB ASN 50 12.865 -15.454 -4.360 392 2HB ASN 50 1HB ASN 50 14.274 -15.419 -5.412 393 1HD2 ASN 50 1HD2 ASN 50 12.452 -17.286 -3.125 394 2HD2 ASN 50 2HD2 ASN 50 13.230 -18.799 -3.438 395 H HIS 51 H HIS 51 16.624 -14.036 -4.723 396 HA HIS 51 HA HIS 51 18.561 -16.039 -4.035 397 1HB HIS 51 2HB HIS 51 19.071 -13.353 -5.329 398 2HB HIS 51 1HB HIS 51 20.080 -14.791 -5.424 399 HD1 HIS 51 1HD HIS 51 17.407 -13.018 -7.136 400 HD2 HIS 51 2HD HIS 51 18.821 -16.929 -7.011 401 HE1 HIS 51 1HE HIS 51 16.474 -14.143 -9.185 402 HE2 HIS 51 2HE HIS 51 17.249 -16.540 -9.033 403 H ASN 52 H ASN 52 18.904 -15.991 -1.820 404 HA ASN 52 HA ASN 52 19.458 -13.504 -0.497 405 1HB ASN 52 2HB ASN 52 19.691 -14.902 1.523 406 2HB ASN 52 1HB ASN 52 18.158 -15.147 0.709 407 1HD2 ASN 52 1HD2 ASN 52 19.553 -16.848 2.585 408 2HD2 ASN 52 2HD2 ASN 52 19.816 -18.359 1.784 409 H VAL 53 H VAL 53 21.270 -13.105 -1.961 410 HA VAL 53 HA VAL 53 23.663 -14.619 -1.721 411 HB VAL 53 HB VAL 53 23.162 -13.282 -3.706 412 1HG1 VAL 53 1HG1 VAL 53 23.536 -10.885 -1.934 413 2HG1 VAL 53 2HG1 VAL 53 22.056 -11.380 -2.757 414 3HG1 VAL 53 3HG1 VAL 53 23.447 -10.837 -3.696 415 1HG2 VAL 53 1HG2 VAL 53 25.663 -12.364 -2.312 416 2HG2 VAL 53 2HG2 VAL 53 25.361 -12.297 -4.048 417 3HG2 VAL 53 3HG2 VAL 53 25.475 -13.857 -3.232 418 H GLN 54 H GLN 54 22.562 -11.552 -0.329 419 HA GLN 54 HA GLN 54 24.522 -11.972 1.833 420 1HB GLN 54 2HB GLN 54 23.399 -9.422 0.698 421 2HB GLN 54 1HB GLN 54 24.000 -9.475 2.347 422 1HG GLN 54 2HG GLN 54 25.907 -8.821 1.368 423 2HG GLN 54 1HG GLN 54 26.099 -10.549 1.072 424 1HE2 GLN 54 1HE2 GLN 54 25.284 -7.467 -0.322 425 2HE2 GLN 54 2HE2 GLN 54 25.428 -7.952 -1.982 426 H GLY 55 H GLY 55 23.462 -13.073 3.356 427 1HA GLY 55 2HA GLY 55 20.639 -12.752 3.812 428 2HA GLY 55 1HA GLY 55 21.730 -13.775 4.726 429 H THR 56 H THR 56 22.759 -12.969 6.511 430 HA THR 56 HA THR 56 22.935 -11.873 8.456 431 HB THR 56 HB THR 56 23.314 -9.422 8.349 432 HG1 THR 56 1HG THR 56 21.950 -9.565 6.127 433 1HG2 THR 56 1HG2 THR 56 25.142 -11.013 8.018 434 2HG2 THR 56 2HG2 THR 56 25.373 -9.555 7.052 435 3HG2 THR 56 3HG2 THR 56 24.802 -11.040 6.288 436 H THR 57 H THR 57 21.228 -12.266 9.687 437 HA THR 57 HA THR 57 18.661 -11.137 9.420 438 HB THR 57 HB THR 57 19.986 -12.026 11.993 439 HG1 THR 57 1HG THR 57 18.424 -13.619 10.205 440 1HG2 THR 57 1HG2 THR 57 17.685 -12.578 12.674 441 2HG2 THR 57 2HG2 THR 57 17.088 -11.917 11.153 442 3HG2 THR 57 3HG2 THR 57 17.868 -10.858 12.327 443 HA PRO 58 HA PRO 58 19.658 -6.892 10.333 444 1HB PRO 58 2HB PRO 58 17.059 -6.168 11.020 445 2HB PRO 58 1HB PRO 58 17.734 -6.145 9.389 446 1HG PRO 58 2HG PRO 58 16.033 -8.210 10.712 447 2HG PRO 58 1HG PRO 58 16.011 -7.643 9.030 448 1HD PRO 58 2HD PRO 58 17.117 -9.991 9.698 449 2HD PRO 58 1HD PRO 58 17.827 -8.964 8.435 450 H SER 59 H SER 59 20.494 -6.093 12.125 451 HA SER 59 HA SER 59 20.217 -7.323 14.632 452 1HB SER 59 2HB SER 59 21.275 -4.538 14.104 453 2HB SER 59 1HB SER 59 21.697 -5.612 15.442 454 HG SER 59 HG SER 59 22.596 -7.049 13.874 455 H ALA 60 H ALA 60 18.374 -4.840 13.111 456 HA ALA 60 HA ALA 60 17.333 -3.620 15.460 457 1HB ALA 60 1HB ALA 60 16.214 -3.666 12.658 458 2HB ALA 60 2HB ALA 60 17.329 -2.467 13.316 459 3HB ALA 60 3HB ALA 60 15.693 -2.599 13.959 460 H ALA 61 H ALA 61 16.703 -6.591 13.899 461 HA ALA 61 HA ALA 61 13.926 -6.756 14.524 462 1HB ALA 61 1HB ALA 61 14.061 -9.045 13.731 463 2HB ALA 61 2HB ALA 61 15.822 -8.958 13.739 464 3HB ALA 61 3HB ALA 61 14.893 -7.955 12.626 465 H VAL 62 H VAL 62 16.592 -6.959 16.455 466 HA VAL 62 HA VAL 62 15.808 -9.032 18.236 467 HB VAL 62 HB VAL 62 17.534 -6.609 18.786 468 1HG1 VAL 62 1HG1 VAL 62 18.415 -7.875 20.663 469 2HG1 VAL 62 2HG1 VAL 62 17.330 -9.215 20.290 470 3HG1 VAL 62 3HG1 VAL 62 16.671 -7.669 20.825 471 1HG2 VAL 62 1HG2 VAL 62 18.290 -9.401 17.930 472 2HG2 VAL 62 2HG2 VAL 62 19.425 -8.142 18.417 473 3HG2 VAL 62 3HG2 VAL 62 18.441 -7.928 16.969 474 H SER 63 H SER 63 15.391 -5.536 18.207 475 HA SER 63 HA SER 63 13.598 -5.611 20.487 476 1HB SER 63 2HB SER 63 14.357 -3.276 18.708 477 2HB SER 63 1HB SER 63 13.589 -3.188 20.295 478 HG SER 63 HG SER 63 15.514 -4.248 21.123 479 H GLU 64 H GLU 64 13.514 -5.287 17.017 480 HA GLU 64 HA GLU 64 10.931 -4.302 16.654 481 1HB GLU 64 2HB GLU 64 12.881 -4.693 14.964 482 2HB GLU 64 1HB GLU 64 12.159 -6.282 14.760 483 1HG GLU 64 2HG GLU 64 11.248 -5.014 13.034 484 2HG GLU 64 1HG GLU 64 9.985 -5.028 14.268 485 H ALA 65 H ALA 65 12.083 -7.500 17.330 486 HA ALA 65 HA ALA 65 9.987 -9.078 16.432 487 1HB ALA 65 1HB ALA 65 11.738 -9.563 18.839 488 2HB ALA 65 2HB ALA 65 12.143 -9.952 17.167 489 3HB ALA 65 3HB ALA 65 10.804 -10.780 17.963 490 H GLU 66 H GLU 66 10.120 -7.003 19.207 491 HA GLU 66 HA GLU 66 8.073 -8.296 20.710 492 1HB GLU 66 2HB GLU 66 9.897 -6.403 21.314 493 2HB GLU 66 1HB GLU 66 8.502 -5.373 21.038 494 1HG GLU 66 2HG GLU 66 8.650 -7.652 23.003 495 2HG GLU 66 1HG GLU 66 8.751 -5.937 23.389 496 H GLN 67 H GLN 67 8.103 -5.359 18.695 497 HA GLN 67 HA GLN 67 5.272 -5.035 18.838 498 1HB GLN 67 2HB GLN 67 5.705 -3.392 16.894 499 2HB GLN 67 1HB GLN 67 6.379 -3.018 18.473 500 1HG GLN 67 2HG GLN 67 8.095 -4.530 16.600 501 2HG GLN 67 1HG GLN 67 7.776 -2.838 16.220 502 1HE2 GLN 67 1HE2 GLN 67 9.941 -2.333 16.548 503 2HE2 GLN 67 2HE2 GLN 67 10.617 -2.205 18.147 504 H ILE 68 H ILE 68 7.458 -6.602 16.583 505 HA ILE 68 HA ILE 68 5.614 -7.069 14.515 506 HB ILE 68 HB ILE 68 7.997 -8.689 15.413 507 1HG1 ILE 68 2HG1 ILE 68 7.576 -6.792 13.093 508 2HG1 ILE 68 1HG1 ILE 68 8.510 -6.451 14.547 509 1HG2 ILE 68 1HG2 ILE 68 7.864 -9.823 13.228 510 2HG2 ILE 68 2HG2 ILE 68 6.316 -9.034 12.930 511 3HG2 ILE 68 3HG2 ILE 68 6.479 -10.184 14.259 512 1HD1 ILE 68 1HD1 ILE 68 10.108 -8.182 13.930 513 2HD1 ILE 68 2HD1 ILE 68 9.937 -6.985 12.646 514 3HD1 ILE 68 3HD1 ILE 68 9.156 -8.558 12.493 515 H ARG 69 H ARG 69 6.353 -8.912 17.450 516 HA ARG 69 HA ARG 69 4.637 -11.085 16.916 517 1HB ARG 69 2HB ARG 69 6.458 -11.097 18.598 518 2HB ARG 69 1HB ARG 69 5.529 -9.985 19.589 519 1HG ARG 69 2HG ARG 69 4.147 -12.473 18.848 520 2HG ARG 69 1HG ARG 69 5.546 -12.655 19.906 521 1HD ARG 69 2HD ARG 69 3.101 -10.960 20.381 522 2HD ARG 69 1HD ARG 69 3.583 -12.406 21.263 523 HE ARG 69 HE ARG 69 4.796 -9.747 21.468 524 1HH1 ARG 69 1HH1 ARG 69 4.638 -13.080 22.555 525 2HH1 ARG 69 2HH1 ARG 69 5.578 -12.783 23.988 526 1HH2 ARG 69 1HH2 ARG 69 6.062 -9.365 23.325 527 2HH2 ARG 69 2HH2 ARG 69 6.380 -10.675 24.424 528 H GLN 70 H GLN 70 4.102 -7.918 18.289 529 HA GLN 70 HA GLN 70 1.489 -8.336 19.284 530 1HB GLN 70 2HB GLN 70 3.192 -6.368 19.597 531 2HB GLN 70 1HB GLN 70 2.429 -5.722 18.157 532 1HG GLN 70 2HG GLN 70 0.830 -6.499 20.564 533 2HG GLN 70 1HG GLN 70 1.609 -4.930 20.431 534 1HE2 GLN 70 1HE2 GLN 70 -0.988 -6.939 19.348 535 2HE2 GLN 70 2HE2 GLN 70 -1.809 -5.732 18.415 536 H LEU 71 H LEU 71 2.715 -7.023 16.218 537 HA LEU 71 HA LEU 71 0.232 -6.661 14.952 538 1HB LEU 71 2HB LEU 71 2.520 -5.759 14.280 539 2HB LEU 71 1HB LEU 71 2.838 -7.332 13.578 540 HG LEU 71 HG LEU 71 2.100 -5.481 11.993 541 1HD1 LEU 71 1HD1 LEU 71 0.755 -6.964 10.624 542 2HD1 LEU 71 2HD1 LEU 71 0.471 -8.012 12.014 543 3HD1 LEU 71 3HD1 LEU 71 2.100 -7.840 11.360 544 1HD2 LEU 71 1HD2 LEU 71 -0.563 -6.039 13.290 545 2HD2 LEU 71 2HD2 LEU 71 -0.318 -5.099 11.819 546 3HD2 LEU 71 3HD2 LEU 71 0.334 -4.525 13.353 547 H LYS 72 H LYS 72 2.430 -9.417 15.084 548 HA LYS 72 HA LYS 72 1.013 -11.128 13.350 549 1HB LYS 72 2HB LYS 72 2.915 -11.627 15.623 550 2HB LYS 72 1HB LYS 72 2.179 -12.948 14.732 551 1HG LYS 72 2HG LYS 72 3.871 -10.780 13.509 552 2HG LYS 72 1HG LYS 72 4.438 -12.393 13.949 553 1HD LYS 72 2HD LYS 72 2.631 -13.301 12.429 554 2HD LYS 72 1HD LYS 72 2.413 -11.650 11.846 555 1HE LYS 72 2HE LYS 72 3.896 -12.903 10.372 556 2HE LYS 72 1HE LYS 72 4.765 -11.587 11.161 557 1HZ LYS 72 1HZ LYS 72 5.741 -13.124 12.688 558 2HZ LYS 72 2HZ LYS 72 5.993 -13.725 11.121 559 3HZ LYS 72 3HZ LYS 72 4.792 -14.403 12.107 560 H LYS 73 H LYS 73 0.503 -10.185 16.637 561 HA LYS 73 HA LYS 73 -1.155 -10.577 18.128 562 1HB LYS 73 2HB LYS 73 -2.453 -11.776 15.685 563 2HB LYS 73 1HB LYS 73 -3.258 -11.733 17.249 564 1HG LYS 73 2HG LYS 73 -3.439 -9.419 17.235 565 2HG LYS 73 1HG LYS 73 -2.147 -9.230 16.050 566 1HD LYS 73 2HD LYS 73 -4.762 -10.562 15.383 567 2HD LYS 73 1HD LYS 73 -4.524 -8.820 15.238 568 1HE LYS 73 2HE LYS 73 -2.602 -9.251 13.739 569 2HE LYS 73 1HE LYS 73 -2.957 -10.974 13.822 570 1HZ LYS 73 1HZ LYS 73 -5.010 -9.044 12.945 571 2HZ LYS 73 2HZ LYS 73 -4.915 -10.708 12.633 572 3HZ LYS 73 3HZ LYS 73 -3.858 -9.636 11.854 573 H GLU 74 H GLU 74 1.062 -12.475 17.588 574 HA GLU 74 HA GLU 74 0.044 -15.103 18.142 575 1HB GLU 74 2HB GLU 74 2.835 -13.964 18.134 576 2HB GLU 74 1HB GLU 74 2.481 -15.648 18.487 577 1HG GLU 74 2HG GLU 74 1.470 -15.877 16.258 578 2HG GLU 74 1HG GLU 74 1.912 -14.206 15.909 579 H ASN 75 H ASN 75 -0.749 -15.610 20.063 580 HA ASN 75 HA ASN 75 0.704 -14.676 22.445 581 1HB ASN 75 2HB ASN 75 -1.374 -15.149 23.724 582 2HB ASN 75 1HB ASN 75 -1.589 -13.898 22.509 583 1HD2 ASN 75 1HD2 ASN 75 -3.818 -14.245 22.577 584 2HD2 ASN 75 2HD2 ASN 75 -4.553 -15.614 21.801 585 H ALA 76 H ALA 76 0.240 -16.373 24.333 586 HA ALA 76 HA ALA 76 1.536 -18.763 23.512 587 1HB ALA 76 1HB ALA 76 1.436 -19.399 25.854 588 2HB ALA 76 2HB ALA 76 0.298 -18.090 26.173 589 3HB ALA 76 3HB ALA 76 1.955 -17.722 25.689 590 H LEU 77 H LEU 77 -1.750 -17.854 24.058 591 HA LEU 77 HA LEU 77 -2.875 -20.370 24.571 592 1HB LEU 77 2HB LEU 77 -4.063 -17.854 23.418 593 2HB LEU 77 1HB LEU 77 -5.006 -19.269 23.827 594 HG LEU 77 HG LEU 77 -3.411 -17.590 25.760 595 1HD1 LEU 77 1HD1 LEU 77 -5.614 -17.021 26.674 596 2HD1 LEU 77 2HD1 LEU 77 -6.385 -17.936 25.377 597 3HD1 LEU 77 3HD1 LEU 77 -5.442 -16.493 25.001 598 1HD2 LEU 77 1HD2 LEU 77 -5.139 -20.017 26.241 599 2HD2 LEU 77 2HD2 LEU 77 -4.437 -18.995 27.493 600 3HD2 LEU 77 3HD2 LEU 77 -3.386 -19.927 26.427 601 H GLN 78 H GLN 78 -1.881 -18.864 21.613 602 HA GLN 78 HA GLN 78 -3.434 -20.091 19.703 603 1HB GLN 78 2HB GLN 78 -1.547 -18.382 19.436 604 2HB GLN 78 1HB GLN 78 -0.447 -19.749 19.419 605 1HG GLN 78 2HG GLN 78 -2.733 -19.525 17.487 606 2HG GLN 78 1HG GLN 78 -1.177 -18.763 17.184 607 1HE2 GLN 78 1HE2 GLN 78 -2.949 -21.719 17.251 608 2HE2 GLN 78 2HE2 GLN 78 -1.706 -22.721 16.594 609 H ARG 79 H ARG 79 -0.368 -21.362 21.016 610 HA ARG 79 HA ARG 79 -0.831 -23.897 19.690 611 1HB ARG 79 2HB ARG 79 1.427 -22.969 21.467 612 2HB ARG 79 1HB ARG 79 1.379 -24.502 20.608 613 1HG ARG 79 2HG ARG 79 1.325 -23.318 18.477 614 2HG ARG 79 1HG ARG 79 1.342 -21.776 19.331 615 1HD ARG 79 2HD ARG 79 3.520 -22.455 20.345 616 2HD ARG 79 1HD ARG 79 3.510 -23.864 19.283 617 HE ARG 79 HE ARG 79 3.343 -22.109 17.429 618 1HH1 ARG 79 1HH1 ARG 79 5.071 -21.651 20.443 619 2HH1 ARG 79 2HH1 ARG 79 6.162 -20.470 19.771 620 1HH2 ARG 79 1HH2 ARG 79 4.777 -20.582 16.556 621 2HH2 ARG 79 2HH2 ARG 79 5.986 -19.852 17.574 622 H ALA 80 H ALA 80 -1.464 -22.491 22.694 623 HA ALA 80 HA ALA 80 -1.509 -24.831 24.302 624 1HB ALA 80 1HB ALA 80 -1.442 -22.556 25.256 625 2HB ALA 80 2HB ALA 80 -2.773 -23.519 25.896 626 3HB ALA 80 3HB ALA 80 -3.086 -22.287 24.675 627 H ARG 81 H ARG 81 -3.576 -23.558 21.895 628 HA ARG 81 HA ARG 81 -5.970 -24.924 22.655 629 1HB ARG 81 2HB ARG 81 -5.034 -23.540 20.166 630 2HB ARG 81 1HB ARG 81 -6.522 -24.471 20.165 631 1HG ARG 81 2HG ARG 81 -7.357 -23.050 22.013 632 2HG ARG 81 1HG ARG 81 -5.891 -22.075 21.875 633 1HD ARG 81 2HD ARG 81 -7.793 -22.565 19.589 634 2HD ARG 81 1HD ARG 81 -7.913 -21.177 20.670 635 HE ARG 81 HE ARG 81 -5.752 -20.447 19.844 636 1HH1 ARG 81 1HH1 ARG 81 -7.285 -23.010 18.008 637 2HH1 ARG 81 2HH1 ARG 81 -6.492 -22.589 16.516 638 1HH2 ARG 81 1HH2 ARG 81 -4.729 -19.877 17.901 639 2HH2 ARG 81 2HH2 ARG 81 -5.037 -20.789 16.448 640 H THR 82 H THR 82 -3.084 -25.901 21.203 641 HA THR 82 HA THR 82 -4.221 -27.894 19.460 642 HB THR 82 HB THR 82 -1.300 -27.671 20.128 643 HG1 THR 82 1HG THR 82 -2.936 -25.909 18.632 644 1HG2 THR 82 1HG2 THR 82 -1.034 -28.343 17.791 645 2HG2 THR 82 2HG2 THR 82 -2.784 -28.333 17.579 646 3HG2 THR 82 3HG2 THR 82 -2.035 -29.506 18.662 647 H ARG 83 H ARG 83 -3.688 -27.869 22.742 648 HA ARG 83 HA ARG 83 -2.932 -30.691 22.821 649 1HB ARG 83 2HB ARG 83 -2.525 -30.348 25.203 650 2HB ARG 83 1HB ARG 83 -1.618 -29.201 24.241 651 1HG ARG 83 2HG ARG 83 -2.380 -27.848 25.910 652 2HG ARG 83 1HG ARG 83 -3.671 -27.644 24.726 653 1HD ARG 83 2HD ARG 83 -4.947 -29.427 25.911 654 2HD ARG 83 1HD ARG 83 -3.686 -29.450 27.143 655 HE ARG 83 HE ARG 83 -4.756 -26.830 26.725 656 1HH1 ARG 83 1HH1 ARG 83 -5.282 -29.871 28.375 657 2HH1 ARG 83 2HH1 ARG 83 -6.268 -29.166 29.624 658 1HH2 ARG 83 1HH2 ARG 83 -6.047 -25.908 28.347 659 2HH2 ARG 83 2HH2 ARG 83 -6.696 -26.914 29.604 660 H HIS 84 H HIS 84 -4.160 -32.205 24.017 661 HA HIS 84 HA HIS 84 -7.011 -31.560 24.101 662 1HB HIS 84 2HB HIS 84 -5.517 -34.187 24.204 663 2HB HIS 84 1HB HIS 84 -7.255 -34.059 24.432 664 HD1 HIS 84 1HD HIS 84 -4.591 -33.788 21.818 665 HD2 HIS 84 2HD HIS 84 -8.740 -33.622 22.102 666 HE1 HIS 84 1HE HIS 84 -5.442 -33.879 19.448 667 HE2 HIS 84 2HE HIS 84 -7.946 -33.653 19.635 668 HA PRO 85 HA PRO 85 -7.014 -31.474 28.518 669 1HB PRO 85 2HB PRO 85 -9.584 -31.979 29.074 670 2HB PRO 85 1HB PRO 85 -9.095 -30.501 28.235 671 1HG PRO 85 2HG PRO 85 -10.242 -33.024 27.107 672 2HG PRO 85 1HG PRO 85 -10.629 -31.340 26.706 673 1HD PRO 85 2HD PRO 85 -8.935 -32.916 25.219 674 2HD PRO 85 1HD PRO 85 -8.854 -31.146 25.275 675 H ALA 86 H ALA 86 -7.728 -32.747 30.463 676 HA ALA 86 HA ALA 86 -7.733 -35.644 29.954 677 1HB ALA 86 1HB ALA 86 -6.301 -35.959 31.924 678 2HB ALA 86 2HB ALA 86 -6.194 -34.210 32.123 679 3HB ALA 86 3HB ALA 86 -5.500 -34.981 30.695 680 H GLU 87 H GLU 87 -10.074 -35.092 30.119 681 HA GLU 87 HA GLU 87 -11.258 -34.073 32.443 682 1HB GLU 87 2HB GLU 87 -12.444 -35.956 30.396 683 2HB GLU 87 1HB GLU 87 -13.357 -34.991 31.549 684 1HG GLU 87 2HG GLU 87 -12.439 -32.944 30.493 685 2HG GLU 87 1HG GLU 87 -11.642 -33.960 29.294 686 H SER 88 H SER 88 -10.401 -37.358 31.534 687 HA SER 88 HA SER 88 -11.799 -38.642 33.638 688 1HB SER 88 2HB SER 88 -11.024 -39.779 31.559 689 2HB SER 88 1HB SER 88 -9.363 -39.631 32.131 690 HG SER 88 HG SER 88 -9.662 -41.282 33.389 691 H CYS 89 H CYS 89 -8.514 -37.391 33.318 692 HA CYS 89 HA CYS 89 -7.580 -38.488 35.776 693 1HB CYS 89 2HB CYS 89 -6.386 -36.143 34.312 694 2HB CYS 89 1HB CYS 89 -5.565 -37.323 35.330 695 HG CYS 89 HG CYS 89 -4.879 -38.883 33.420 696 H LEU 90 H LEU 90 -9.213 -35.604 34.843 697 HA LEU 90 HA LEU 90 -8.683 -34.072 37.183 698 1HB LEU 90 2HB LEU 90 -9.453 -33.053 35.095 699 2HB LEU 90 1HB LEU 90 -10.968 -33.927 35.206 700 HG LEU 90 HG LEU 90 -11.499 -32.682 37.279 701 1HD1 LEU 90 1HD1 LEU 90 -9.019 -31.100 36.615 702 2HD1 LEU 90 2HD1 LEU 90 -9.204 -32.194 37.985 703 3HD1 LEU 90 3HD1 LEU 90 -10.181 -30.728 37.889 704 1HD2 LEU 90 1HD2 LEU 90 -11.926 -30.512 36.172 705 2HD2 LEU 90 2HD2 LEU 90 -12.386 -31.895 35.178 706 3HD2 LEU 90 3HD2 LEU 90 -10.892 -31.021 34.837 707 H GLU 91 H GLU 91 -11.132 -36.388 36.236 708 HA GLU 91 HA GLU 91 -12.716 -36.045 38.602 709 1HB GLU 91 2HB GLU 91 -13.367 -36.941 36.216 710 2HB GLU 91 1HB GLU 91 -12.838 -38.485 36.865 711 1HG GLU 91 2HG GLU 91 -14.922 -36.761 38.180 712 2HG GLU 91 1HG GLU 91 -15.300 -38.019 37.008 713 H HIS 92 H HIS 92 -10.457 -38.541 37.409 714 HA HIS 92 HA HIS 92 -9.774 -39.138 40.181 715 1HB HIS 92 2HB HIS 92 -11.138 -41.022 38.352 716 2HB HIS 92 1HB HIS 92 -9.778 -41.674 39.258 717 HD1 HIS 92 1HD HIS 92 -13.312 -40.669 39.592 718 HD2 HIS 92 2HD HIS 92 -10.129 -41.598 42.107 719 HE1 HIS 92 1HE HIS 92 -14.331 -41.135 41.840 720 HE2 HIS 92 2HE HIS 92 -12.383 -41.561 43.383 721 H HIS 93 H HIS 93 -7.684 -39.439 40.467 722 HA HIS 93 HA HIS 93 -6.018 -40.146 38.153 723 1HB HIS 93 2HB HIS 93 -4.326 -38.516 38.820 724 2HB HIS 93 1HB HIS 93 -5.855 -37.702 38.522 725 HD1 HIS 93 1HD HIS 93 -3.198 -37.987 40.957 726 HD2 HIS 93 2HD HIS 93 -7.243 -37.022 41.041 727 HE1 HIS 93 1HE HIS 93 -3.574 -36.819 43.152 728 HE2 HIS 93 2HE HIS 93 -5.964 -36.017 43.055 729 H HIS 94 H HIS 94 -3.717 -40.748 38.994 730 HA HIS 94 HA HIS 94 -4.224 -42.905 40.854 731 1HB HIS 94 2HB HIS 94 -2.875 -43.117 38.715 732 2HB HIS 94 1HB HIS 94 -1.601 -42.218 39.527 733 HD1 HIS 94 1HD HIS 94 -3.312 -45.537 39.475 734 HD2 HIS 94 2HD HIS 94 -0.164 -43.675 41.467 735 HE1 HIS 94 1HE HIS 94 -2.085 -47.374 40.680 736 HE2 HIS 94 2HE HIS 94 -0.090 -46.258 41.739 737 H HIS 95 H HIS 95 -3.853 -42.840 42.945 738 HA HIS 95 HA HIS 95 -1.759 -41.041 43.984 739 1HB HIS 95 2HB HIS 95 -4.048 -40.119 44.420 740 2HB HIS 95 1HB HIS 95 -4.418 -41.576 45.332 741 HD1 HIS 95 1HD HIS 95 -3.753 -41.596 47.760 742 HD2 HIS 95 2HD HIS 95 -1.968 -38.489 45.652 743 HE1 HIS 95 1HE HIS 95 -2.616 -40.175 49.488 744 HE2 HIS 95 2HE HIS 95 -1.703 -38.198 48.215 745 H HIS 96 H HIS 96 -0.308 -42.061 45.205 746 HA HIS 96 HA HIS 96 -0.683 -44.915 45.600 747 1HB HIS 96 2HB HIS 96 1.416 -43.925 44.612 748 2HB HIS 96 1HB HIS 96 1.774 -43.263 46.204 749 HD1 HIS 96 1HD HIS 96 3.568 -44.641 47.212 750 HD2 HIS 96 2HD HIS 96 0.791 -46.964 45.166 751 HE1 HIS 96 1HE HIS 96 4.269 -47.023 47.587 752 HE2 HIS 96 2HE HIS 96 2.453 -48.410 46.515 753 H HIS 97 H HIS 97 -0.996 -45.915 47.472 754 HA HIS 97 HA HIS 97 -0.482 -44.521 49.989 755 1HB HIS 97 2HB HIS 97 -2.843 -44.087 49.572 756 2HB HIS 97 1HB HIS 97 -3.134 -45.795 49.258 757 HD1 HIS 97 1HD HIS 97 -3.496 -47.323 51.255 758 HD2 HIS 97 2HD HIS 97 -2.453 -43.442 52.330 759 HE1 HIS 97 1HE HIS 97 -3.887 -47.175 53.735 760 HE2 HIS 97 2HE HIS 97 -3.443 -44.767 54.325 Start of MODEL 6 1 1H MET 1 1HT MET 1 7.557 19.682 -8.856 2 2H MET 1 2HT MET 1 9.108 20.007 -8.263 3 3H MET 1 3HT MET 1 7.830 19.752 -7.183 4 HA MET 1 HA MET 1 8.945 17.742 -9.048 5 1HB MET 1 2HB MET 1 9.168 18.013 -6.041 6 2HB MET 1 1HB MET 1 9.700 16.611 -6.957 7 1HG MET 1 2HG MET 1 11.604 17.939 -6.439 8 2HG MET 1 1HG MET 1 11.295 18.080 -8.169 9 1HE MET 1 1HE MET 1 13.181 20.054 -6.436 10 2HE MET 1 2HE MET 1 12.744 21.606 -7.154 11 3HE MET 1 3HE MET 1 12.960 20.185 -8.176 12 HA PRO 2 HA PRO 2 4.764 16.291 -8.125 13 1HB PRO 2 2HB PRO 2 4.582 14.982 -10.585 14 2HB PRO 2 1HB PRO 2 4.041 16.627 -10.252 15 1HG PRO 2 2HG PRO 2 6.183 15.811 -11.931 16 2HG PRO 2 1HG PRO 2 5.713 17.463 -11.512 17 1HD PRO 2 2HD PRO 2 7.891 15.788 -10.425 18 2HD PRO 2 1HD PRO 2 7.739 17.556 -10.475 19 H THR 3 H THR 3 6.934 14.946 -6.979 20 HA THR 3 HA THR 3 7.036 12.255 -7.997 21 HB THR 3 HB THR 3 8.492 11.861 -5.956 22 HG1 THR 3 1HG THR 3 8.917 13.496 -4.638 23 1HG2 THR 3 1HG2 THR 3 9.280 14.032 -7.901 24 2HG2 THR 3 2HG2 THR 3 9.442 12.293 -8.155 25 3HG2 THR 3 3HG2 THR 3 10.397 13.097 -6.908 26 H LYS 4 H LYS 4 5.348 11.022 -7.696 27 HA LYS 4 HA LYS 4 4.091 10.916 -5.045 28 1HB LYS 4 2HB LYS 4 2.567 11.515 -6.907 29 2HB LYS 4 1HB LYS 4 2.980 10.012 -7.713 30 1HG LYS 4 2HG LYS 4 2.010 9.630 -4.989 31 2HG LYS 4 1HG LYS 4 0.841 10.411 -6.055 32 1HD LYS 4 2HD LYS 4 1.324 8.562 -7.717 33 2HD LYS 4 1HD LYS 4 2.197 7.747 -6.423 34 1HE LYS 4 2HE LYS 4 0.223 7.587 -5.088 35 2HE LYS 4 1HE LYS 4 -0.673 8.635 -6.187 36 1HZ LYS 4 1HZ LYS 4 -1.273 6.332 -6.528 37 2HZ LYS 4 2HZ LYS 4 0.341 5.908 -6.814 38 3HZ LYS 4 3HZ LYS 4 -0.472 6.922 -7.903 39 H THR 5 H THR 5 5.392 9.514 -4.033 40 HA THR 5 HA THR 5 5.827 6.887 -5.298 41 HB THR 5 HB THR 5 7.660 8.027 -3.207 42 HG1 THR 5 1HG THR 5 7.337 8.853 -5.831 43 1HG2 THR 5 1HG2 THR 5 8.082 6.085 -5.491 44 2HG2 THR 5 2HG2 THR 5 7.906 5.658 -3.787 45 3HG2 THR 5 3HG2 THR 5 9.308 6.583 -4.329 46 H TYR 6 H TYR 6 6.141 5.106 -3.739 47 HA TYR 6 HA TYR 6 4.305 5.401 -1.465 48 1HB TYR 6 2HB TYR 6 5.150 2.809 -2.766 49 2HB TYR 6 1HB TYR 6 3.779 3.088 -1.699 50 HD1 TYR 6 1HD TYR 6 4.971 3.111 -5.095 51 HD2 TYR 6 2HD TYR 6 1.814 4.397 -2.552 52 HE1 TYR 6 1HE TYR 6 3.547 3.480 -7.062 53 HE2 TYR 6 2HE TYR 6 0.377 4.762 -4.512 54 HH TYR 6 HH TYR 6 1.153 3.605 -7.609 55 H SER 7 H SER 7 4.872 4.339 0.516 56 HA SER 7 HA SER 7 7.562 4.542 1.281 57 1HB SER 7 2HB SER 7 5.392 2.891 2.601 58 2HB SER 7 1HB SER 7 6.859 3.503 3.365 59 HG SER 7 HG SER 7 5.301 4.945 3.895 60 H GLU 8 H GLU 8 9.208 3.055 1.430 61 HA GLU 8 HA GLU 8 9.156 0.834 -0.292 62 1HB GLU 8 2HB GLU 8 11.307 0.198 1.097 63 2HB GLU 8 1HB GLU 8 11.308 1.532 -0.038 64 1HG GLU 8 2HG GLU 8 12.452 2.228 1.913 65 2HG GLU 8 1HG GLU 8 10.912 3.074 1.878 66 H GLU 9 H GLU 9 8.595 1.097 3.148 67 HA GLU 9 HA GLU 9 8.335 -1.632 3.779 68 1HB GLU 9 2HB GLU 9 8.429 0.147 5.450 69 2HB GLU 9 1HB GLU 9 6.908 0.804 4.874 70 1HG GLU 9 2HG GLU 9 5.801 -1.304 5.563 71 2HG GLU 9 1HG GLU 9 7.336 -1.829 6.260 72 H PHE 10 H PHE 10 6.035 0.722 2.517 73 HA PHE 10 HA PHE 10 3.730 -0.863 2.537 74 1HB PHE 10 2HB PHE 10 3.788 1.595 2.156 75 2HB PHE 10 1HB PHE 10 4.493 1.311 0.570 76 HD1 PHE 10 1HD PHE 10 3.140 0.888 -1.287 77 HD2 PHE 10 2HD PHE 10 1.473 0.727 2.625 78 HE1 PHE 10 1HE PHE 10 0.885 0.754 -2.261 79 HE2 PHE 10 2HE PHE 10 -0.787 0.593 1.664 80 HZ PHE 10 HZ PHE 10 -1.084 0.606 -0.783 81 H LYS 11 H LYS 11 6.366 -0.598 0.227 82 HA LYS 11 HA LYS 11 5.160 -2.244 -1.770 83 1HB LYS 11 2HB LYS 11 8.106 -1.667 -1.411 84 2HB LYS 11 1HB LYS 11 7.291 -2.183 -2.881 85 1HG LYS 11 2HG LYS 11 6.098 -0.054 -2.973 86 2HG LYS 11 1HG LYS 11 6.929 0.467 -1.502 87 1HD LYS 11 2HD LYS 11 9.097 0.068 -2.720 88 2HD LYS 11 1HD LYS 11 8.144 -0.155 -4.187 89 1HE LYS 11 2HE LYS 11 7.278 2.100 -4.000 90 2HE LYS 11 1HE LYS 11 8.135 2.326 -2.476 91 1HZ LYS 11 1HZ LYS 11 9.503 3.324 -4.044 92 2HZ LYS 11 2HZ LYS 11 9.248 2.114 -5.203 93 3HZ LYS 11 3HZ LYS 11 10.210 1.794 -3.843 94 H ARG 12 H ARG 12 7.413 -2.801 0.912 95 HA ARG 12 HA ARG 12 7.938 -5.497 0.149 96 1HB ARG 12 2HB ARG 12 9.097 -5.730 2.271 97 2HB ARG 12 1HB ARG 12 9.549 -4.235 1.488 98 1HG ARG 12 2HG ARG 12 9.343 -3.548 3.642 99 2HG ARG 12 1HG ARG 12 7.709 -3.230 3.055 100 1HD ARG 12 2HD ARG 12 6.849 -5.156 4.105 101 2HD ARG 12 1HD ARG 12 8.458 -5.819 4.389 102 HE ARG 12 HE ARG 12 8.623 -3.625 5.841 103 1HH1 ARG 12 1HH1 ARG 12 5.928 -5.852 5.569 104 2HH1 ARG 12 2HH1 ARG 12 5.373 -5.572 7.188 105 1HH2 ARG 12 1HH2 ARG 12 7.888 -3.281 7.985 106 2HH2 ARG 12 2HH2 ARG 12 6.487 -4.142 8.552 107 H ASP 13 H ASP 13 5.440 -3.957 1.966 108 HA ASP 13 HA ASP 13 4.312 -6.285 3.122 109 1HB ASP 13 2HB ASP 13 3.352 -3.548 2.481 110 2HB ASP 13 1HB ASP 13 2.124 -4.792 2.669 111 H ALA 14 H ALA 14 4.020 -4.783 -0.044 112 HA ALA 14 HA ALA 14 1.990 -6.487 -1.051 113 1HB ALA 14 1HB ALA 14 2.528 -4.353 -2.104 114 2HB ALA 14 2HB ALA 14 2.666 -5.679 -3.257 115 3HB ALA 14 3HB ALA 14 4.119 -4.966 -2.557 116 H VAL 15 H VAL 15 5.490 -6.735 -0.916 117 HA VAL 15 HA VAL 15 5.756 -9.057 -2.507 118 HB VAL 15 HB VAL 15 7.498 -8.197 -0.180 119 1HG1 VAL 15 1HG1 VAL 15 8.102 -9.997 -2.520 120 2HG1 VAL 15 2HG1 VAL 15 7.864 -10.517 -0.850 121 3HG1 VAL 15 3HG1 VAL 15 9.243 -9.499 -1.271 122 1HG2 VAL 15 1HG2 VAL 15 8.902 -7.118 -1.854 123 2HG2 VAL 15 2HG2 VAL 15 7.276 -6.429 -1.853 124 3HG2 VAL 15 3HG2 VAL 15 7.754 -7.565 -3.116 125 H ALA 16 H ALA 16 5.054 -8.543 0.905 126 HA ALA 16 HA ALA 16 5.083 -11.279 1.674 127 1HB ALA 16 1HB ALA 16 5.272 -9.485 3.317 128 2HB ALA 16 2HB ALA 16 3.887 -10.517 3.673 129 3HB ALA 16 3HB ALA 16 3.643 -8.939 2.925 130 H LEU 17 H LEU 17 2.627 -9.128 0.366 131 HA LEU 17 HA LEU 17 0.413 -10.855 0.579 132 1HB LEU 17 2HB LEU 17 1.082 -8.743 -1.475 133 2HB LEU 17 1HB LEU 17 -0.464 -9.559 -1.391 134 HG LEU 17 HG LEU 17 0.682 -7.862 0.831 135 1HD1 LEU 17 1HD1 LEU 17 0.185 -6.526 -1.152 136 2HD1 LEU 17 2HD1 LEU 17 -0.947 -6.187 0.156 137 3HD1 LEU 17 3HD1 LEU 17 -1.444 -7.200 -1.201 138 1HD2 LEU 17 1HD2 LEU 17 -0.874 -9.596 1.582 139 2HD2 LEU 17 2HD2 LEU 17 -2.072 -9.028 0.420 140 3HD2 LEU 17 3HD2 LEU 17 -1.572 -7.987 1.754 141 H TYR 18 H TYR 18 3.002 -10.588 -1.780 142 HA TYR 18 HA TYR 18 1.922 -12.387 -3.682 143 1HB TYR 18 2HB TYR 18 3.741 -10.706 -4.112 144 2HB TYR 18 1HB TYR 18 4.839 -11.758 -3.226 145 HD1 TYR 18 1HD TYR 18 5.956 -13.498 -4.327 146 HD2 TYR 18 2HD TYR 18 2.592 -11.663 -6.179 147 HE1 TYR 18 1HE TYR 18 6.429 -14.733 -6.402 148 HE2 TYR 18 2HE TYR 18 3.055 -12.893 -8.255 149 HH TYR 18 HH TYR 18 5.033 -13.961 -9.362 150 H GLU 19 H GLU 19 3.797 -12.805 -0.767 151 HA GLU 19 HA GLU 19 4.606 -15.469 -1.088 152 1HB GLU 19 2HB GLU 19 3.789 -14.006 1.427 153 2HB GLU 19 1HB GLU 19 4.563 -15.580 1.405 154 1HG GLU 19 2HG GLU 19 6.520 -14.549 0.293 155 2HG GLU 19 1HG GLU 19 5.740 -12.975 0.470 156 H ASN 20 H ASN 20 1.519 -14.066 -0.519 157 HA ASN 20 HA ASN 20 0.383 -16.592 0.432 158 1HB ASN 20 2HB ASN 20 -0.555 -13.735 0.521 159 2HB ASN 20 1HB ASN 20 -1.641 -15.072 0.871 160 1HD2 ASN 20 1HD2 ASN 20 1.119 -13.254 1.946 161 2HD2 ASN 20 2HD2 ASN 20 1.151 -13.878 3.563 162 H SER 21 H SER 21 1.131 -16.243 -2.338 163 HA SER 21 HA SER 21 -1.081 -15.614 -3.969 164 1HB SER 21 2HB SER 21 0.187 -16.831 -5.737 165 2HB SER 21 1HB SER 21 1.162 -15.641 -4.873 166 HG SER 21 HG SER 21 2.200 -17.713 -5.182 167 H ASP 22 H ASP 22 -0.462 -18.284 -1.991 168 HA ASP 22 HA ASP 22 -1.552 -20.468 -3.224 169 1HB ASP 22 2HB ASP 22 -0.628 -20.603 -0.995 170 2HB ASP 22 1HB ASP 22 -1.917 -19.588 -0.360 171 H GLY 23 H GLY 23 -3.290 -17.799 -1.732 172 1HA GLY 23 2HA GLY 23 -5.752 -18.874 -2.959 173 2HA GLY 23 1HA GLY 23 -5.745 -18.084 -1.388 174 H ALA 24 H ALA 24 -3.757 -16.911 -4.021 175 HA ALA 24 HA ALA 24 -5.659 -14.821 -4.687 176 1HB ALA 24 1HB ALA 24 -4.573 -13.952 -2.678 177 2HB ALA 24 2HB ALA 24 -4.143 -13.001 -4.101 178 3HB ALA 24 3HB ALA 24 -2.997 -14.168 -3.438 179 H SER 25 H SER 25 -5.505 -14.383 -6.769 180 HA SER 25 HA SER 25 -3.409 -15.408 -8.404 181 1HB SER 25 2HB SER 25 -5.705 -15.185 -9.267 182 2HB SER 25 1HB SER 25 -5.623 -13.435 -9.063 183 HG SER 25 HG SER 25 -3.800 -14.888 -10.686 184 H LEU 26 H LEU 26 -1.805 -14.269 -9.531 185 HA LEU 26 HA LEU 26 -0.533 -12.128 -8.265 186 1HB LEU 26 2HB LEU 26 0.350 -13.786 -10.043 187 2HB LEU 26 1HB LEU 26 -0.320 -12.680 -11.223 188 HG LEU 26 HG LEU 26 1.719 -11.810 -9.176 189 1HD1 LEU 26 1HD1 LEU 26 2.207 -12.813 -11.974 190 2HD1 LEU 26 2HD1 LEU 26 2.631 -13.659 -10.485 191 3HD1 LEU 26 3HD1 LEU 26 3.414 -12.130 -10.884 192 1HD2 LEU 26 1HD2 LEU 26 0.443 -10.024 -10.275 193 2HD2 LEU 26 2HD2 LEU 26 0.916 -10.662 -11.851 194 3HD2 LEU 26 3HD2 LEU 26 2.141 -10.007 -10.762 195 H GLN 27 H GLN 27 -2.911 -12.233 -10.845 196 HA GLN 27 HA GLN 27 -3.049 -9.542 -11.559 197 1HB GLN 27 2HB GLN 27 -4.285 -11.204 -12.792 198 2HB GLN 27 1HB GLN 27 -5.201 -11.667 -11.367 199 1HG GLN 27 2HG GLN 27 -6.618 -10.374 -12.797 200 2HG GLN 27 1HG GLN 27 -6.247 -9.422 -11.365 201 1HE2 GLN 27 1HE2 GLN 27 -6.830 -7.571 -12.524 202 2HE2 GLN 27 2HE2 GLN 27 -5.763 -6.852 -13.687 203 H GLN 28 H GLN 28 -4.816 -11.301 -9.023 204 HA GLN 28 HA GLN 28 -6.423 -9.162 -8.187 205 1HB GLN 28 2HB GLN 28 -6.895 -11.541 -7.688 206 2HB GLN 28 1HB GLN 28 -5.530 -11.570 -6.580 207 1HG GLN 28 2HG GLN 28 -7.596 -11.343 -5.354 208 2HG GLN 28 1HG GLN 28 -6.633 -9.875 -5.192 209 1HE2 GLN 28 1HE2 GLN 28 -8.409 -8.615 -4.686 210 2HE2 GLN 28 2HE2 GLN 28 -9.609 -8.184 -5.855 211 H ILE 29 H ILE 29 -3.270 -10.291 -6.996 212 HA ILE 29 HA ILE 29 -3.108 -8.668 -4.726 213 HB ILE 29 HB ILE 29 -0.838 -9.582 -6.505 214 1HG1 ILE 29 2HG1 ILE 29 -2.191 -11.436 -5.616 215 2HG1 ILE 29 1HG1 ILE 29 -0.594 -11.409 -4.875 216 1HG2 ILE 29 1HG2 ILE 29 -0.160 -7.724 -5.069 217 2HG2 ILE 29 2HG2 ILE 29 0.599 -9.228 -4.553 218 3HG2 ILE 29 3HG2 ILE 29 -0.773 -8.581 -3.654 219 1HD1 ILE 29 1HD1 ILE 29 -1.535 -10.359 -2.883 220 2HD1 ILE 29 2HD1 ILE 29 -2.319 -11.900 -3.237 221 3HD1 ILE 29 3HD1 ILE 29 -3.134 -10.384 -3.627 222 H ALA 30 H ALA 30 -1.890 -8.032 -8.003 223 HA ALA 30 HA ALA 30 -1.065 -5.369 -7.436 224 1HB ALA 30 1HB ALA 30 -0.091 -6.672 -9.254 225 2HB ALA 30 2HB ALA 30 -0.799 -5.178 -9.870 226 3HB ALA 30 3HB ALA 30 -1.650 -6.709 -10.080 227 H ASN 31 H ASN 31 -3.987 -6.854 -8.621 228 HA ASN 31 HA ASN 31 -5.281 -4.577 -9.653 229 1HB ASN 31 2HB ASN 31 -5.892 -6.972 -10.102 230 2HB ASN 31 1HB ASN 31 -6.588 -7.041 -8.486 231 1HD2 ASN 31 1HD2 ASN 31 -6.911 -5.782 -11.697 232 2HD2 ASN 31 2HD2 ASN 31 -8.555 -5.276 -11.550 233 H ASP 32 H ASP 32 -5.399 -6.112 -6.465 234 HA ASP 32 HA ASP 32 -7.420 -4.437 -5.393 235 1HB ASP 32 2HB ASP 32 -6.792 -6.663 -4.454 236 2HB ASP 32 1HB ASP 32 -5.270 -5.972 -3.909 237 H LEU 33 H LEU 33 -3.960 -4.146 -5.680 238 HA LEU 33 HA LEU 33 -3.825 -1.903 -3.867 239 1HB LEU 33 2HB LEU 33 -2.026 -3.618 -4.051 240 2HB LEU 33 1HB LEU 33 -1.700 -3.046 -5.678 241 HG LEU 33 HG LEU 33 -1.109 -0.845 -4.778 242 1HD1 LEU 33 1HD1 LEU 33 -0.806 -0.566 -2.356 243 2HD1 LEU 33 2HD1 LEU 33 -1.531 -2.153 -2.097 244 3HD1 LEU 33 3HD1 LEU 33 -2.493 -0.845 -2.787 245 1HD2 LEU 33 1HD2 LEU 33 1.004 -1.499 -3.730 246 2HD2 LEU 33 2HD2 LEU 33 0.636 -2.502 -5.135 247 3HD2 LEU 33 3HD2 LEU 33 0.382 -3.134 -3.508 248 H GLY 34 H GLY 34 -4.065 -2.503 -7.278 249 1HA GLY 34 2HA GLY 34 -4.972 -0.896 -8.763 250 2HA GLY 34 1HA GLY 34 -4.396 0.379 -7.701 251 H ILE 35 H ILE 35 -2.250 -2.213 -8.497 252 HA ILE 35 HA ILE 35 -0.799 -0.386 -10.294 253 HB ILE 35 HB ILE 35 1.282 -1.534 -9.602 254 1HG1 ILE 35 2HG1 ILE 35 -0.437 -2.780 -7.448 255 2HG1 ILE 35 1HG1 ILE 35 0.201 -3.644 -8.839 256 1HG2 ILE 35 1HG2 ILE 35 0.638 0.583 -8.585 257 2HG2 ILE 35 2HG2 ILE 35 1.490 -0.440 -7.429 258 3HG2 ILE 35 3HG2 ILE 35 -0.264 -0.281 -7.339 259 1HD1 ILE 35 1HD1 ILE 35 1.801 -2.367 -6.643 260 2HD1 ILE 35 2HD1 ILE 35 2.484 -3.147 -8.071 261 3HD1 ILE 35 3HD1 ILE 35 1.551 -4.091 -6.909 262 H ASN 36 H ASN 36 0.762 -1.636 -11.754 263 HA ASN 36 HA ASN 36 -0.727 -3.638 -13.176 264 1HB ASN 36 2HB ASN 36 0.607 -1.772 -14.239 265 2HB ASN 36 1HB ASN 36 2.063 -2.623 -13.730 266 1HD2 ASN 36 1HD2 ASN 36 -0.713 -2.680 -15.807 267 2HD2 ASN 36 2HD2 ASN 36 -0.136 -3.922 -16.868 268 H ARG 37 H ARG 37 0.117 -5.732 -13.735 269 HA ARG 37 HA ARG 37 1.127 -7.264 -11.665 270 1HB ARG 37 2HB ARG 37 1.240 -7.712 -14.645 271 2HB ARG 37 1HB ARG 37 1.659 -8.924 -13.461 272 1HG ARG 37 2HG ARG 37 -0.632 -8.862 -12.600 273 2HG ARG 37 1HG ARG 37 -1.041 -7.660 -13.828 274 1HD ARG 37 2HD ARG 37 -0.442 -9.242 -15.586 275 2HD ARG 37 1HD ARG 37 -0.003 -10.439 -14.372 276 HE ARG 37 HE ARG 37 -2.743 -9.435 -14.335 277 1HH1 ARG 37 1HH1 ARG 37 -0.519 -12.009 -15.197 278 2HH1 ARG 37 2HH1 ARG 37 -1.773 -13.197 -15.380 279 1HH2 ARG 37 1HH2 ARG 37 -4.384 -11.005 -14.603 280 2HH2 ARG 37 2HH2 ARG 37 -3.952 -12.633 -15.024 281 H VAL 38 H VAL 38 2.763 -5.553 -14.257 282 HA VAL 38 HA VAL 38 5.339 -6.680 -13.782 283 HB VAL 38 HB VAL 38 4.650 -4.078 -15.167 284 1HG1 VAL 38 1HG1 VAL 38 7.146 -5.771 -15.266 285 2HG1 VAL 38 2HG1 VAL 38 6.996 -4.167 -14.545 286 3HG1 VAL 38 3HG1 VAL 38 6.822 -4.373 -16.289 287 1HG2 VAL 38 1HG2 VAL 38 5.079 -6.835 -16.314 288 2HG2 VAL 38 2HG2 VAL 38 4.793 -5.361 -17.239 289 3HG2 VAL 38 3HG2 VAL 38 3.530 -6.000 -16.187 290 H THR 39 H THR 39 3.723 -3.716 -12.735 291 HA THR 39 HA THR 39 5.838 -2.473 -11.415 292 HB THR 39 HB THR 39 2.993 -2.452 -10.407 293 HG1 THR 39 1HG THR 39 4.115 -1.152 -12.692 294 1HG2 THR 39 1HG2 THR 39 4.624 -1.215 -9.073 295 2HG2 THR 39 2HG2 THR 39 3.516 -0.107 -9.879 296 3HG2 THR 39 3HG2 THR 39 5.148 -0.332 -10.509 297 H LEU 40 H LEU 40 3.493 -4.856 -10.258 298 HA LEU 40 HA LEU 40 4.340 -5.014 -7.595 299 1HB LEU 40 2HB LEU 40 2.244 -5.976 -8.385 300 2HB LEU 40 1HB LEU 40 3.121 -7.131 -9.371 301 HG LEU 40 HG LEU 40 4.069 -8.110 -7.278 302 1HD1 LEU 40 1HD1 LEU 40 2.061 -6.308 -5.926 303 2HD1 LEU 40 2HD1 LEU 40 3.817 -6.161 -5.828 304 3HD1 LEU 40 3HD1 LEU 40 3.011 -7.575 -5.148 305 1HD2 LEU 40 1HD2 LEU 40 1.060 -8.069 -7.510 306 2HD2 LEU 40 2HD2 LEU 40 2.007 -9.275 -6.640 307 3HD2 LEU 40 3HD2 LEU 40 2.162 -9.129 -8.389 308 H LYS 41 H LYS 41 5.283 -6.945 -10.421 309 HA LYS 41 HA LYS 41 7.055 -8.675 -9.117 310 1HB LYS 41 2HB LYS 41 6.135 -8.905 -11.454 311 2HB LYS 41 1HB LYS 41 7.311 -7.707 -11.965 312 1HG LYS 41 2HG LYS 41 9.128 -9.152 -11.255 313 2HG LYS 41 1HG LYS 41 7.965 -10.356 -10.694 314 1HD LYS 41 2HD LYS 41 7.117 -10.565 -12.999 315 2HD LYS 41 1HD LYS 41 8.345 -9.416 -13.537 316 1HE LYS 41 2HE LYS 41 10.105 -10.930 -12.787 317 2HE LYS 41 1HE LYS 41 8.894 -12.067 -12.198 318 1HZ LYS 41 1HZ LYS 41 9.749 -12.733 -14.345 319 2HZ LYS 41 2HZ LYS 41 9.282 -11.260 -15.033 320 3HZ LYS 41 3HZ LYS 41 8.104 -12.345 -14.467 321 H ASN 42 H ASN 42 7.571 -5.567 -10.686 322 HA ASN 42 HA ASN 42 10.331 -5.370 -10.507 323 1HB ASN 42 2HB ASN 42 8.190 -3.256 -10.355 324 2HB ASN 42 1HB ASN 42 9.900 -2.852 -10.326 325 1HD2 ASN 42 1HD2 ASN 42 7.929 -2.108 -12.297 326 2HD2 ASN 42 2HD2 ASN 42 8.474 -2.761 -13.812 327 H TRP 43 H TRP 43 7.900 -4.530 -8.056 328 HA TRP 43 HA TRP 43 9.799 -3.601 -6.149 329 1HB TRP 43 2HB TRP 43 6.951 -4.558 -5.812 330 2HB TRP 43 1HB TRP 43 7.912 -3.870 -4.509 331 HD1 TRP 43 HD TRP 43 9.007 -1.783 -7.139 332 HE1 TRP 43 1HE TRP 43 7.588 0.352 -7.386 333 HE3 TRP 43 3HE TRP 43 4.908 -3.222 -4.449 334 HZ2 TRP 43 2HZ TRP 43 5.051 1.291 -6.559 335 HZ3 TRP 43 3HZ TRP 43 3.027 -1.655 -4.227 336 HH2 TRP 43 HH TRP 43 3.102 0.553 -5.257 337 H ILE 44 H ILE 44 8.238 -6.699 -6.750 338 HA ILE 44 HA ILE 44 9.067 -8.069 -4.462 339 HB ILE 44 HB ILE 44 8.642 -9.184 -7.239 340 1HG1 ILE 44 2HG1 ILE 44 6.772 -9.113 -4.869 341 2HG1 ILE 44 1HG1 ILE 44 6.712 -7.965 -6.205 342 1HG2 ILE 44 1HG2 ILE 44 8.316 -11.337 -6.135 343 2HG2 ILE 44 2HG2 ILE 44 8.697 -10.607 -4.576 344 3HG2 ILE 44 3HG2 ILE 44 9.937 -10.714 -5.826 345 1HD1 ILE 44 1HD1 ILE 44 6.227 -9.789 -7.742 346 2HD1 ILE 44 2HD1 ILE 44 5.040 -9.705 -6.441 347 3HD1 ILE 44 3HD1 ILE 44 6.300 -10.938 -6.407 348 H ILE 45 H ILE 45 10.683 -7.748 -7.610 349 HA ILE 45 HA ILE 45 12.890 -9.395 -6.945 350 HB ILE 45 HB ILE 45 12.716 -7.204 -9.020 351 1HG1 ILE 45 2HG1 ILE 45 12.331 -10.192 -9.311 352 2HG1 ILE 45 1HG1 ILE 45 11.025 -9.014 -9.261 353 1HG2 ILE 45 1HG2 ILE 45 14.580 -8.360 -10.112 354 2HG2 ILE 45 2HG2 ILE 45 14.682 -9.478 -8.753 355 3HG2 ILE 45 3HG2 ILE 45 15.024 -7.764 -8.516 356 1HD1 ILE 45 1HD1 ILE 45 11.918 -7.973 -11.299 357 2HD1 ILE 45 2HD1 ILE 45 11.468 -9.661 -11.532 358 3HD1 ILE 45 3HD1 ILE 45 13.168 -9.217 -11.366 359 H LYS 46 H LYS 46 12.319 -5.923 -6.707 360 HA LYS 46 HA LYS 46 15.012 -5.268 -6.092 361 1HB LYS 46 2HB LYS 46 12.412 -3.785 -6.035 362 2HB LYS 46 1HB LYS 46 13.871 -3.062 -5.384 363 1HG LYS 46 2HG LYS 46 14.972 -3.284 -7.537 364 2HG LYS 46 1HG LYS 46 13.536 -4.067 -8.201 365 1HD LYS 46 2HD LYS 46 12.251 -2.077 -7.985 366 2HD LYS 46 1HD LYS 46 13.506 -1.299 -7.018 367 1HE LYS 46 2HE LYS 46 13.530 -0.435 -9.290 368 2HE LYS 46 1HE LYS 46 15.010 -1.330 -8.953 369 1HZ LYS 46 1HZ LYS 46 13.818 -3.281 -10.045 370 2HZ LYS 46 2HZ LYS 46 14.368 -2.041 -11.054 371 3HZ LYS 46 3HZ LYS 46 12.721 -2.132 -10.647 372 H TYR 47 H TYR 47 12.122 -5.781 -4.109 373 HA TYR 47 HA TYR 47 13.688 -5.087 -1.736 374 1HB TYR 47 2HB TYR 47 10.711 -5.418 -2.115 375 2HB TYR 47 1HB TYR 47 11.484 -5.026 -0.583 376 HD1 TYR 47 1HD TYR 47 10.503 -3.765 -3.862 377 HD2 TYR 47 2HD TYR 47 12.539 -2.827 -0.247 378 HE1 TYR 47 1HE TYR 47 10.460 -1.382 -4.462 379 HE2 TYR 47 2HE TYR 47 12.493 -0.441 -0.836 380 HH TYR 47 HH TYR 47 12.314 0.960 -2.832 381 H GLY 48 H GLY 48 12.087 -7.804 -3.239 382 1HA GLY 48 2HA GLY 48 12.863 -9.469 -0.923 383 2HA GLY 48 1HA GLY 48 11.527 -9.841 -2.003 384 H SER 49 H SER 49 14.979 -9.057 -2.332 385 HA SER 49 HA SER 49 15.245 -10.539 -4.736 386 1HB SER 49 2HB SER 49 17.476 -9.650 -2.906 387 2HB SER 49 1HB SER 49 17.553 -9.923 -4.646 388 HG SER 49 HG SER 49 15.805 -8.175 -4.638 389 H ASN 50 H ASN 50 15.504 -11.365 -1.386 390 HA ASN 50 HA ASN 50 17.302 -13.524 -1.564 391 1HB ASN 50 2HB ASN 50 15.126 -12.887 0.428 392 2HB ASN 50 1HB ASN 50 16.227 -14.253 0.611 393 1HD2 ASN 50 1HD2 ASN 50 18.359 -13.894 1.141 394 2HD2 ASN 50 2HD2 ASN 50 18.948 -12.341 1.655 395 H HIS 51 H HIS 51 13.736 -13.607 -1.290 396 HA HIS 51 HA HIS 51 12.186 -15.081 -2.084 397 1HB HIS 51 2HB HIS 51 13.351 -14.458 -4.230 398 2HB HIS 51 1HB HIS 51 14.319 -15.913 -4.066 399 HD1 HIS 51 1HD HIS 51 10.622 -14.987 -4.294 400 HD2 HIS 51 2HD HIS 51 13.250 -18.040 -5.342 401 HE1 HIS 51 1HE HIS 51 9.259 -16.635 -5.621 402 HE2 HIS 51 2HE HIS 51 10.919 -18.369 -6.410 403 H ASN 52 H ASN 52 14.100 -15.824 -0.039 404 HA ASN 52 HA ASN 52 14.790 -18.587 -0.419 405 1HB ASN 52 2HB ASN 52 16.304 -17.124 0.816 406 2HB ASN 52 1HB ASN 52 15.044 -16.771 1.988 407 1HD2 ASN 52 1HD2 ASN 52 17.253 -19.185 0.791 408 2HD2 ASN 52 2HD2 ASN 52 17.173 -20.216 2.180 409 H VAL 53 H VAL 53 12.687 -19.356 -0.782 410 HA VAL 53 HA VAL 53 10.672 -19.293 1.220 411 HB VAL 53 HB VAL 53 9.596 -21.132 -0.094 412 1HG1 VAL 53 1HG1 VAL 53 10.511 -18.726 -1.672 413 2HG1 VAL 53 2HG1 VAL 53 9.131 -18.788 -0.578 414 3HG1 VAL 53 3HG1 VAL 53 9.125 -19.746 -2.056 415 1HG2 VAL 53 1HG2 VAL 53 10.556 -21.751 -2.260 416 2HG2 VAL 53 2HG2 VAL 53 11.620 -22.219 -0.933 417 3HG2 VAL 53 3HG2 VAL 53 11.994 -20.793 -1.900 418 H GLN 54 H GLN 54 13.237 -21.572 0.440 419 HA GLN 54 HA GLN 54 12.350 -23.392 2.527 420 1HB GLN 54 2HB GLN 54 14.606 -23.518 0.528 421 2HB GLN 54 1HB GLN 54 14.382 -24.719 1.792 422 1HG GLN 54 2HG GLN 54 12.364 -24.049 -0.336 423 2HG GLN 54 1HG GLN 54 13.465 -25.425 -0.374 424 1HE2 GLN 54 1HE2 GLN 54 10.609 -24.075 1.043 425 2HE2 GLN 54 2HE2 GLN 54 10.087 -25.507 1.856 426 H GLY 55 H GLY 55 13.227 -23.539 4.507 427 1HA GLY 55 2HA GLY 55 14.731 -21.278 5.409 428 2HA GLY 55 1HA GLY 55 14.168 -22.616 6.396 429 H THR 56 H THR 56 15.925 -23.735 3.763 430 HA THR 56 HA THR 56 18.056 -24.392 3.373 431 HB THR 56 HB THR 56 19.008 -22.919 5.779 432 HG1 THR 56 1HG THR 56 17.616 -21.678 4.163 433 1HG2 THR 56 1HG2 THR 56 21.051 -22.655 4.432 434 2HG2 THR 56 2HG2 THR 56 20.284 -23.555 3.125 435 3HG2 THR 56 3HG2 THR 56 20.631 -24.354 4.657 436 H THR 57 H THR 57 18.399 -26.403 3.690 437 HA THR 57 HA THR 57 18.149 -27.599 6.348 438 HB THR 57 HB THR 57 18.436 -29.005 3.677 439 HG1 THR 57 1HG THR 57 16.194 -27.970 5.054 440 1HG2 THR 57 1HG2 THR 57 18.990 -30.374 5.643 441 2HG2 THR 57 2HG2 THR 57 17.501 -30.923 4.876 442 3HG2 THR 57 3HG2 THR 57 17.431 -29.974 6.360 443 HA PRO 58 HA PRO 58 22.623 -27.672 6.530 444 1HB PRO 58 2HB PRO 58 22.832 -29.062 8.846 445 2HB PRO 58 1HB PRO 58 22.393 -27.351 8.790 446 1HG PRO 58 2HG PRO 58 20.628 -29.751 9.088 447 2HG PRO 58 1HG PRO 58 20.568 -28.202 9.950 448 1HD PRO 58 2HD PRO 58 18.918 -28.791 7.881 449 2HD PRO 58 1HD PRO 58 19.474 -27.141 8.224 450 H SER 59 H SER 59 24.332 -29.207 6.427 451 HA SER 59 HA SER 59 23.759 -31.439 4.799 452 1HB SER 59 2HB SER 59 26.325 -30.805 6.271 453 2HB SER 59 1HB SER 59 26.153 -31.859 4.866 454 HG SER 59 HG SER 59 25.585 -30.083 3.624 455 H ALA 60 H ALA 60 24.034 -31.076 8.226 456 HA ALA 60 HA ALA 60 24.770 -33.668 8.970 457 1HB ALA 60 1HB ALA 60 22.984 -31.760 10.460 458 2HB ALA 60 2HB ALA 60 24.747 -31.783 10.516 459 3HB ALA 60 3HB ALA 60 23.827 -33.150 11.142 460 H ALA 61 H ALA 61 21.802 -32.522 7.675 461 HA ALA 61 HA ALA 61 20.234 -34.695 8.753 462 1HB ALA 61 1HB ALA 61 19.197 -32.506 8.436 463 2HB ALA 61 2HB ALA 61 18.379 -33.742 7.482 464 3HB ALA 61 3HB ALA 61 19.489 -32.618 6.700 465 H VAL 62 H VAL 62 22.411 -34.441 6.302 466 HA VAL 62 HA VAL 62 21.077 -36.081 4.341 467 HB VAL 62 HB VAL 62 23.991 -35.279 4.507 468 1HG1 VAL 62 1HG1 VAL 62 23.695 -37.274 3.156 469 2HG1 VAL 62 2HG1 VAL 62 24.073 -35.895 2.122 470 3HG1 VAL 62 3HG1 VAL 62 22.414 -36.487 2.235 471 1HG2 VAL 62 1HG2 VAL 62 21.714 -34.089 2.922 472 2HG2 VAL 62 2HG2 VAL 62 23.411 -33.630 2.771 473 3HG2 VAL 62 3HG2 VAL 62 22.548 -33.338 4.283 474 H SER 63 H SER 63 23.562 -36.473 6.786 475 HA SER 63 HA SER 63 24.089 -39.210 6.214 476 1HB SER 63 2HB SER 63 24.595 -37.660 8.767 477 2HB SER 63 1HB SER 63 25.345 -39.187 8.306 478 HG SER 63 HG SER 63 25.952 -37.809 6.315 479 H GLU 64 H GLU 64 21.876 -37.503 8.343 480 HA GLU 64 HA GLU 64 21.002 -39.792 9.773 481 1HB GLU 64 2HB GLU 64 20.714 -37.567 10.702 482 2HB GLU 64 1HB GLU 64 19.700 -37.102 9.345 483 1HG GLU 64 2HG GLU 64 17.979 -38.638 10.047 484 2HG GLU 64 1HG GLU 64 19.010 -39.251 11.336 485 H ALA 65 H ALA 65 19.973 -38.185 6.856 486 HA ALA 65 HA ALA 65 17.542 -39.461 6.405 487 1HB ALA 65 1HB ALA 65 17.830 -38.875 4.061 488 2HB ALA 65 2HB ALA 65 19.541 -38.545 4.337 489 3HB ALA 65 3HB ALA 65 18.311 -37.535 5.102 490 H GLU 66 H GLU 66 20.835 -40.521 5.762 491 HA GLU 66 HA GLU 66 20.304 -42.803 4.234 492 1HB GLU 66 2HB GLU 66 22.573 -41.919 4.625 493 2HB GLU 66 1HB GLU 66 22.463 -42.385 6.316 494 1HG GLU 66 2HG GLU 66 21.979 -44.759 5.237 495 2HG GLU 66 1HG GLU 66 22.900 -44.058 3.908 496 H GLN 67 H GLN 67 20.534 -42.371 7.735 497 HA GLN 67 HA GLN 67 20.010 -45.082 8.402 498 1HB GLN 67 2HB GLN 67 19.731 -42.572 10.076 499 2HB GLN 67 1HB GLN 67 19.787 -44.219 10.693 500 1HG GLN 67 2HG GLN 67 22.037 -44.487 10.101 501 2HG GLN 67 1HG GLN 67 22.017 -43.071 9.052 502 1HE2 GLN 67 1HE2 GLN 67 23.763 -42.148 10.080 503 2HE2 GLN 67 2HE2 GLN 67 23.653 -41.454 11.661 504 H ILE 68 H ILE 68 18.049 -42.221 7.958 505 HA ILE 68 HA ILE 68 15.592 -43.235 8.872 506 HB ILE 68 HB ILE 68 16.232 -41.139 6.786 507 1HG1 ILE 68 2HG1 ILE 68 16.921 -40.567 9.042 508 2HG1 ILE 68 1HG1 ILE 68 15.545 -39.573 8.568 509 1HG2 ILE 68 1HG2 ILE 68 14.026 -42.038 6.298 510 2HG2 ILE 68 2HG2 ILE 68 13.896 -40.409 6.963 511 3HG2 ILE 68 3HG2 ILE 68 13.545 -41.808 7.978 512 1HD1 ILE 68 1HD1 ILE 68 14.067 -41.007 9.884 513 2HD1 ILE 68 2HD1 ILE 68 15.354 -40.316 10.871 514 3HD1 ILE 68 3HD1 ILE 68 15.448 -42.000 10.353 515 H ARG 69 H ARG 69 17.180 -43.435 5.706 516 HA ARG 69 HA ARG 69 15.063 -44.692 4.333 517 1HB ARG 69 2HB ARG 69 18.026 -45.035 3.839 518 2HB ARG 69 1HB ARG 69 16.738 -45.410 2.706 519 1HG ARG 69 2HG ARG 69 16.132 -43.032 2.631 520 2HG ARG 69 1HG ARG 69 17.469 -42.675 3.729 521 1HD ARG 69 2HD ARG 69 18.973 -43.798 2.017 522 2HD ARG 69 1HD ARG 69 17.598 -43.734 0.916 523 HE ARG 69 HE ARG 69 18.866 -41.345 2.104 524 1HH1 ARG 69 1HH1 ARG 69 17.220 -42.950 -0.528 525 2HH1 ARG 69 2HH1 ARG 69 17.379 -41.608 -1.620 526 1HH2 ARG 69 1HH2 ARG 69 19.082 -39.585 0.696 527 2HH2 ARG 69 2HH2 ARG 69 18.459 -39.685 -0.925 528 H GLN 70 H GLN 70 17.636 -45.932 6.363 529 HA GLN 70 HA GLN 70 17.261 -48.677 5.869 530 1HB GLN 70 2HB GLN 70 19.080 -47.226 7.207 531 2HB GLN 70 1HB GLN 70 18.097 -47.748 8.564 532 1HG GLN 70 2HG GLN 70 19.500 -49.513 6.579 533 2HG GLN 70 1HG GLN 70 19.955 -49.226 8.255 534 1HE2 GLN 70 1HE2 GLN 70 18.696 -50.127 9.914 535 2HE2 GLN 70 2HE2 GLN 70 17.632 -51.459 9.604 536 H LEU 71 H LEU 71 16.031 -46.537 8.433 537 HA LEU 71 HA LEU 71 14.527 -48.535 9.750 538 1HB LEU 71 2HB LEU 71 14.821 -45.594 9.912 539 2HB LEU 71 1HB LEU 71 13.369 -46.279 10.597 540 HG LEU 71 HG LEU 71 15.040 -45.991 12.326 541 1HD1 LEU 71 1HD1 LEU 71 13.546 -47.899 12.527 542 2HD1 LEU 71 2HD1 LEU 71 15.135 -48.268 13.201 543 3HD1 LEU 71 3HD1 LEU 71 14.678 -48.897 11.617 544 1HD2 LEU 71 1HD2 LEU 71 17.039 -46.078 10.929 545 2HD2 LEU 71 2HD2 LEU 71 16.790 -47.804 10.669 546 3HD2 LEU 71 3HD2 LEU 71 17.158 -47.201 12.285 547 H LYS 72 H LYS 72 13.852 -46.435 7.074 548 HA LYS 72 HA LYS 72 11.038 -46.466 7.150 549 1HB LYS 72 2HB LYS 72 12.409 -44.925 5.765 550 2HB LYS 72 1HB LYS 72 12.823 -46.273 4.715 551 1HG LYS 72 2HG LYS 72 11.080 -44.947 3.716 552 2HG LYS 72 1HG LYS 72 10.449 -46.538 4.146 553 1HD LYS 72 2HD LYS 72 9.528 -45.541 6.234 554 2HD LYS 72 1HD LYS 72 10.053 -43.957 5.659 555 1HE LYS 72 2HE LYS 72 7.709 -44.274 5.162 556 2HE LYS 72 1HE LYS 72 8.641 -44.238 3.664 557 1HZ LYS 72 1HZ LYS 72 7.627 -46.674 5.035 558 2HZ LYS 72 2HZ LYS 72 8.565 -46.668 3.622 559 3HZ LYS 72 3HZ LYS 72 7.011 -46.001 3.608 560 H LYS 73 H LYS 73 13.224 -48.988 6.436 561 HA LYS 73 HA LYS 73 11.513 -50.469 4.668 562 1HB LYS 73 2HB LYS 73 14.124 -50.890 5.993 563 2HB LYS 73 1HB LYS 73 13.205 -52.344 5.626 564 1HG LYS 73 2HG LYS 73 13.189 -51.865 3.312 565 2HG LYS 73 1HG LYS 73 13.767 -50.222 3.579 566 1HD LYS 73 2HD LYS 73 15.432 -52.546 4.453 567 2HD LYS 73 1HD LYS 73 15.414 -52.059 2.756 568 1HE LYS 73 2HE LYS 73 16.060 -50.243 5.077 569 2HE LYS 73 1HE LYS 73 17.251 -51.013 4.031 570 1HZ LYS 73 1HZ LYS 73 15.213 -48.999 3.227 571 2HZ LYS 73 2HZ LYS 73 16.194 -49.844 2.137 572 3HZ LYS 73 3HZ LYS 73 16.899 -48.793 3.263 573 H GLU 74 H GLU 74 11.076 -52.893 5.417 574 HA GLU 74 HA GLU 74 8.991 -52.675 7.311 575 1HB GLU 74 2HB GLU 74 10.296 -55.103 6.073 576 2HB GLU 74 1HB GLU 74 8.881 -55.183 7.113 577 1HG GLU 74 2HG GLU 74 7.706 -53.689 5.480 578 2HG GLU 74 1HG GLU 74 9.104 -53.868 4.420 579 H ASN 75 H ASN 75 9.032 -52.761 9.433 580 HA ASN 75 HA ASN 75 11.370 -53.977 10.734 581 1HB ASN 75 2HB ASN 75 11.114 -52.299 12.533 582 2HB ASN 75 1HB ASN 75 11.464 -51.564 10.974 583 1HD2 ASN 75 1HD2 ASN 75 9.944 -50.288 9.994 584 2HD2 ASN 75 2HD2 ASN 75 8.509 -49.755 10.801 585 H ALA 76 H ALA 76 10.580 -53.867 13.328 586 HA ALA 76 HA ALA 76 9.241 -56.287 13.554 587 1HB ALA 76 1HB ALA 76 10.825 -55.453 15.205 588 2HB ALA 76 2HB ALA 76 9.295 -55.911 15.952 589 3HB ALA 76 3HB ALA 76 9.670 -54.210 15.686 590 H LEU 77 H LEU 77 7.885 -53.080 13.489 591 HA LEU 77 HA LEU 77 5.574 -53.479 14.988 592 1HB LEU 77 2HB LEU 77 6.095 -51.677 12.631 593 2HB LEU 77 1HB LEU 77 4.632 -51.618 13.585 594 HG LEU 77 HG LEU 77 7.413 -51.094 14.635 595 1HD1 LEU 77 1HD1 LEU 77 6.644 -49.327 13.148 596 2HD1 LEU 77 2HD1 LEU 77 6.653 -48.771 14.821 597 3HD1 LEU 77 3HD1 LEU 77 5.131 -49.212 14.046 598 1HD2 LEU 77 1HD2 LEU 77 4.717 -50.848 15.964 599 2HD2 LEU 77 2HD2 LEU 77 6.258 -50.355 16.664 600 3HD2 LEU 77 3HD2 LEU 77 5.946 -52.058 16.329 601 H GLN 78 H GLN 78 6.252 -54.309 11.640 602 HA GLN 78 HA GLN 78 3.507 -54.993 11.064 603 1HB GLN 78 2HB GLN 78 4.941 -54.113 9.291 604 2HB GLN 78 1HB GLN 78 6.051 -55.460 9.491 605 1HG GLN 78 2HG GLN 78 4.676 -55.782 7.541 606 2HG GLN 78 1HG GLN 78 4.302 -57.003 8.755 607 1HE2 GLN 78 1HE2 GLN 78 2.299 -57.409 7.873 608 2HE2 GLN 78 2HE2 GLN 78 0.972 -56.310 8.016 609 H ARG 79 H ARG 79 6.333 -56.590 12.261 610 HA ARG 79 HA ARG 79 5.444 -59.245 11.545 611 1HB ARG 79 2HB ARG 79 7.800 -58.150 13.052 612 2HB ARG 79 1HB ARG 79 7.418 -59.861 13.137 613 1HG ARG 79 2HG ARG 79 9.101 -59.482 11.464 614 2HG ARG 79 1HG ARG 79 7.608 -60.008 10.688 615 1HD ARG 79 2HD ARG 79 7.099 -57.736 10.047 616 2HD ARG 79 1HD ARG 79 8.510 -57.142 10.921 617 HE ARG 79 HE ARG 79 9.814 -58.586 9.272 618 1HH1 ARG 79 1HH1 ARG 79 6.757 -57.054 8.488 619 2HH1 ARG 79 2HH1 ARG 79 7.117 -56.906 6.790 620 1HH2 ARG 79 1HH2 ARG 79 10.290 -58.392 7.057 621 2HH2 ARG 79 2HH2 ARG 79 9.131 -57.672 5.985 622 H ALA 80 H ALA 80 4.840 -57.074 14.039 623 HA ALA 80 HA ALA 80 4.714 -58.717 16.298 624 1HB ALA 80 1HB ALA 80 3.137 -56.214 15.739 625 2HB ALA 80 2HB ALA 80 4.768 -56.276 16.407 626 3HB ALA 80 3HB ALA 80 3.416 -56.943 17.322 627 H ARG 81 H ARG 81 2.569 -58.490 13.629 628 HA ARG 81 HA ARG 81 0.209 -59.377 14.941 629 1HB ARG 81 2HB ARG 81 1.070 -59.363 12.066 630 2HB ARG 81 1HB ARG 81 -0.445 -60.095 12.563 631 1HG ARG 81 2HG ARG 81 -1.067 -57.881 13.573 632 2HG ARG 81 1HG ARG 81 0.362 -57.209 12.781 633 1HD ARG 81 2HD ARG 81 -1.722 -56.907 11.463 634 2HD ARG 81 1HD ARG 81 -0.480 -57.832 10.614 635 HE ARG 81 HE ARG 81 -2.571 -59.290 12.073 636 1HH1 ARG 81 1HH1 ARG 81 -1.164 -58.315 9.025 637 2HH1 ARG 81 2HH1 ARG 81 -1.976 -59.543 8.102 638 1HH2 ARG 81 1HH2 ARG 81 -3.666 -60.888 10.878 639 2HH2 ARG 81 2HH2 ARG 81 -3.447 -60.992 9.155 640 H THR 82 H THR 82 3.015 -60.954 13.804 641 HA THR 82 HA THR 82 1.719 -63.577 13.934 642 HB THR 82 HB THR 82 4.412 -62.949 12.724 643 HG1 THR 82 1HG THR 82 1.822 -63.070 11.536 644 1HG2 THR 82 1HG2 THR 82 2.560 -65.314 12.380 645 2HG2 THR 82 2HG2 THR 82 4.027 -65.300 13.357 646 3HG2 THR 82 3HG2 THR 82 4.132 -65.100 11.608 647 H ARG 83 H ARG 83 5.104 -62.763 14.324 648 HA ARG 83 HA ARG 83 5.067 -64.085 16.947 649 1HB ARG 83 2HB ARG 83 6.471 -65.131 15.152 650 2HB ARG 83 1HB ARG 83 7.432 -63.660 15.109 651 1HG ARG 83 2HG ARG 83 8.151 -64.004 17.378 652 2HG ARG 83 1HG ARG 83 7.083 -65.400 17.540 653 1HD ARG 83 2HD ARG 83 8.342 -66.506 15.717 654 2HD ARG 83 1HD ARG 83 9.460 -65.142 15.704 655 HE ARG 83 HE ARG 83 9.685 -65.829 18.223 656 1HH1 ARG 83 1HH1 ARG 83 9.347 -67.966 15.467 657 2HH1 ARG 83 2HH1 ARG 83 10.329 -69.227 16.159 658 1HH2 ARG 83 1HH2 ARG 83 10.940 -67.505 19.163 659 2HH2 ARG 83 2HH2 ARG 83 11.208 -68.972 18.266 660 H HIS 84 H HIS 84 6.023 -63.054 18.703 661 HA HIS 84 HA HIS 84 6.061 -60.150 18.370 662 1HB HIS 84 2HB HIS 84 5.874 -61.879 20.842 663 2HB HIS 84 1HB HIS 84 5.904 -60.121 20.866 664 HD1 HIS 84 1HD HIS 84 3.503 -60.726 22.119 665 HD2 HIS 84 2HD HIS 84 3.723 -61.169 17.987 666 HE1 HIS 84 1HE HIS 84 1.117 -60.744 21.307 667 HE2 HIS 84 2HE HIS 84 1.274 -61.167 18.820 668 HA PRO 85 HA PRO 85 10.486 -60.246 19.208 669 1HB PRO 85 2HB PRO 85 11.151 -58.382 17.391 670 2HB PRO 85 1HB PRO 85 10.786 -60.044 16.915 671 1HG PRO 85 2HG PRO 85 9.214 -57.594 16.500 672 2HG PRO 85 1HG PRO 85 9.111 -59.147 15.658 673 1HD PRO 85 2HD PRO 85 7.472 -58.145 17.837 674 2HD PRO 85 1HD PRO 85 7.263 -59.623 16.878 675 H ALA 86 H ALA 86 11.972 -58.083 19.318 676 HA ALA 86 HA ALA 86 12.546 -56.363 20.688 677 1HB ALA 86 1HB ALA 86 11.218 -54.337 20.430 678 2HB ALA 86 2HB ALA 86 9.902 -55.279 19.727 679 3HB ALA 86 3HB ALA 86 11.447 -55.148 18.883 680 H GLU 87 H GLU 87 12.202 -57.938 22.468 681 HA GLU 87 HA GLU 87 9.858 -58.182 23.939 682 1HB GLU 87 2HB GLU 87 11.847 -59.663 24.074 683 2HB GLU 87 1HB GLU 87 12.696 -58.404 24.955 684 1HG GLU 87 2HG GLU 87 11.228 -58.609 26.817 685 2HG GLU 87 1HG GLU 87 10.144 -59.670 25.919 686 H SER 88 H SER 88 12.234 -55.641 24.017 687 HA SER 88 HA SER 88 11.266 -54.536 26.513 688 1HB SER 88 2HB SER 88 13.203 -53.308 24.538 689 2HB SER 88 1HB SER 88 12.995 -52.880 26.238 690 HG SER 88 HG SER 88 13.951 -54.740 26.853 691 H CYS 89 H CYS 89 11.284 -53.592 23.084 692 HA CYS 89 HA CYS 89 9.923 -51.146 23.480 693 1HB CYS 89 2HB CYS 89 11.376 -51.689 21.526 694 2HB CYS 89 1HB CYS 89 10.120 -52.777 20.944 695 HG CYS 89 HG CYS 89 10.419 -50.039 19.747 696 H LEU 90 H LEU 90 8.853 -54.397 22.869 697 HA LEU 90 HA LEU 90 6.221 -53.833 22.025 698 1HB LEU 90 2HB LEU 90 7.277 -56.004 21.688 699 2HB LEU 90 1HB LEU 90 7.333 -56.266 23.419 700 HG LEU 90 HG LEU 90 4.844 -56.243 23.451 701 1HD1 LEU 90 1HD1 LEU 90 4.443 -54.946 21.437 702 2HD1 LEU 90 2HD1 LEU 90 3.654 -56.518 21.328 703 3HD1 LEU 90 3HD1 LEU 90 5.156 -56.227 20.453 704 1HD2 LEU 90 1HD2 LEU 90 6.152 -58.277 21.657 705 2HD2 LEU 90 2HD2 LEU 90 4.594 -58.471 22.459 706 3HD2 LEU 90 3HD2 LEU 90 6.066 -58.333 23.419 707 H GLU 91 H GLU 91 7.641 -54.229 25.208 708 HA GLU 91 HA GLU 91 5.233 -54.463 26.667 709 1HB GLU 91 2HB GLU 91 7.644 -54.982 27.407 710 2HB GLU 91 1HB GLU 91 7.775 -53.262 27.746 711 1HG GLU 91 2HG GLU 91 7.221 -54.242 29.789 712 2HG GLU 91 1HG GLU 91 5.716 -53.541 29.195 713 H HIS 92 H HIS 92 7.244 -51.722 25.746 714 HA HIS 92 HA HIS 92 6.874 -49.492 25.620 715 1HB HIS 92 2HB HIS 92 3.998 -50.361 25.911 716 2HB HIS 92 1HB HIS 92 4.466 -48.674 25.719 717 HD1 HIS 92 1HD HIS 92 3.966 -51.816 23.850 718 HD2 HIS 92 2HD HIS 92 5.586 -48.052 23.168 719 HE1 HIS 92 1HE HIS 92 4.167 -51.614 21.356 720 HE2 HIS 92 2HE HIS 92 5.382 -49.433 20.989 721 H HIS 93 H HIS 93 6.033 -47.562 26.894 722 HA HIS 93 HA HIS 93 6.047 -48.213 29.778 723 1HB HIS 93 2HB HIS 93 7.183 -45.776 28.383 724 2HB HIS 93 1HB HIS 93 7.097 -45.979 30.125 725 HD1 HIS 93 1HD HIS 93 9.800 -45.461 29.074 726 HD2 HIS 93 2HD HIS 93 8.235 -49.312 29.271 727 HE1 HIS 93 1HE HIS 93 11.789 -47.005 29.050 728 HE2 HIS 93 2HE HIS 93 10.823 -49.318 29.340 729 H HIS 94 H HIS 94 4.058 -47.914 30.577 730 HA HIS 94 HA HIS 94 2.374 -45.778 29.518 731 1HB HIS 94 2HB HIS 94 1.858 -47.931 31.578 732 2HB HIS 94 1HB HIS 94 0.692 -46.674 31.179 733 HD1 HIS 94 1HD HIS 94 0.658 -49.942 30.672 734 HD2 HIS 94 2HD HIS 94 0.948 -46.856 27.887 735 HE1 HIS 94 1HE HIS 94 -0.169 -50.903 28.499 736 HE2 HIS 94 2HE HIS 94 -0.129 -48.981 26.866 737 H HIS 95 H HIS 95 1.193 -44.432 31.226 738 HA HIS 95 HA HIS 95 1.231 -42.874 32.882 739 1HB HIS 95 2HB HIS 95 3.561 -44.484 33.945 740 2HB HIS 95 1HB HIS 95 2.957 -43.032 34.731 741 HD1 HIS 95 1HD HIS 95 1.422 -43.524 36.588 742 HD2 HIS 95 2HD HIS 95 1.251 -46.443 33.624 743 HE1 HIS 95 1HE HIS 95 -0.208 -45.252 37.423 744 HE2 HIS 95 2HE HIS 95 -0.201 -47.072 35.677 745 H HIS 96 H HIS 96 1.658 -41.022 31.909 746 HA HIS 96 HA HIS 96 4.412 -40.140 31.619 747 1HB HIS 96 2HB HIS 96 3.736 -41.349 29.475 748 2HB HIS 96 1HB HIS 96 2.548 -40.074 29.236 749 HD1 HIS 96 1HD HIS 96 3.364 -37.901 28.210 750 HD2 HIS 96 2HD HIS 96 6.450 -40.475 29.291 751 HE1 HIS 96 1HE HIS 96 5.452 -36.899 27.242 752 HE2 HIS 96 2HE HIS 96 7.263 -38.595 27.708 753 H HIS 97 H HIS 97 4.580 -37.874 31.592 754 HA HIS 97 HA HIS 97 2.120 -36.461 32.302 755 1HB HIS 97 2HB HIS 97 5.028 -35.631 32.394 756 2HB HIS 97 1HB HIS 97 3.696 -34.552 32.782 757 HD1 HIS 97 1HD HIS 97 2.007 -35.873 34.716 758 HD2 HIS 97 2HD HIS 97 6.107 -36.575 34.659 759 HE1 HIS 97 1HE HIS 97 2.586 -36.709 37.013 760 HE2 HIS 97 2HE HIS 97 5.099 -36.842 37.020 Start of MODEL 7 1 1H MET 1 1HT MET 1 -4.297 15.428 -5.443 2 2H MET 1 2HT MET 1 -4.823 14.837 -3.945 3 3H MET 1 3HT MET 1 -3.778 13.904 -4.907 4 HA MET 1 HA MET 1 -3.132 16.483 -3.605 5 1HB MET 1 2HB MET 1 -2.056 13.693 -3.124 6 2HB MET 1 1HB MET 1 -1.528 15.155 -2.305 7 1HG MET 1 2HG MET 1 -3.741 15.403 -1.313 8 2HG MET 1 1HG MET 1 -4.277 13.942 -2.142 9 1HE MET 1 1HE MET 1 -4.118 12.645 1.516 10 2HE MET 1 2HE MET 1 -5.078 12.754 0.039 11 3HE MET 1 3HE MET 1 -4.689 14.214 0.944 12 HA PRO 2 HA PRO 2 0.110 16.896 -6.651 13 1HB PRO 2 2HB PRO 2 1.798 17.932 -4.458 14 2HB PRO 2 1HB PRO 2 1.306 18.720 -5.960 15 1HG PRO 2 2HG PRO 2 0.270 19.454 -3.604 16 2HG PRO 2 1HG PRO 2 -0.712 19.437 -5.080 17 1HD PRO 2 2HD PRO 2 -0.626 17.456 -2.836 18 2HD PRO 2 1HD PRO 2 -2.023 18.074 -3.743 19 H THR 3 H THR 3 0.672 15.494 -3.535 20 HA THR 3 HA THR 3 2.967 13.962 -4.491 21 HB THR 3 HB THR 3 3.025 13.179 -2.065 22 HG1 THR 3 1HG THR 3 0.898 13.759 -1.497 23 1HG2 THR 3 1HG2 THR 3 4.042 15.265 -1.264 24 2HG2 THR 3 2HG2 THR 3 3.327 16.136 -2.622 25 3HG2 THR 3 3HG2 THR 3 4.545 14.893 -2.912 26 H LYS 4 H LYS 4 2.643 11.997 -5.303 27 HA LYS 4 HA LYS 4 0.374 10.427 -4.304 28 1HB LYS 4 2HB LYS 4 0.388 9.321 -6.555 29 2HB LYS 4 1HB LYS 4 -0.113 11.000 -6.561 30 1HG LYS 4 2HG LYS 4 1.252 10.903 -8.403 31 2HG LYS 4 1HG LYS 4 2.371 11.463 -7.163 32 1HD LYS 4 2HD LYS 4 3.366 9.707 -8.558 33 2HD LYS 4 1HD LYS 4 3.222 9.198 -6.876 34 1HE LYS 4 2HE LYS 4 2.567 7.391 -8.355 35 2HE LYS 4 1HE LYS 4 1.175 7.963 -7.437 36 1HZ LYS 4 1HZ LYS 4 0.530 9.288 -9.402 37 2HZ LYS 4 2HZ LYS 4 0.536 7.626 -9.699 38 3HZ LYS 4 3HZ LYS 4 1.805 8.586 -10.274 39 H THR 5 H THR 5 3.309 10.672 -3.597 40 HA THR 5 HA THR 5 4.619 8.286 -4.358 41 HB THR 5 HB THR 5 5.316 9.643 -1.804 42 HG1 THR 5 1HG THR 5 6.170 11.422 -2.926 43 1HG2 THR 5 1HG2 THR 5 7.585 9.411 -2.708 44 2HG2 THR 5 2HG2 THR 5 6.920 8.768 -4.208 45 3HG2 THR 5 3HG2 THR 5 6.732 7.866 -2.704 46 H TYR 6 H TYR 6 5.152 6.505 -3.002 47 HA TYR 6 HA TYR 6 3.110 5.918 -0.972 48 1HB TYR 6 2HB TYR 6 3.627 3.474 -1.592 49 2HB TYR 6 1HB TYR 6 2.675 4.415 -2.730 50 HD1 TYR 6 1HD TYR 6 6.235 3.439 -2.071 51 HD2 TYR 6 2HD TYR 6 3.264 4.391 -4.971 52 HE1 TYR 6 1HE TYR 6 7.812 2.871 -3.870 53 HE2 TYR 6 2HE TYR 6 4.839 3.825 -6.775 54 HH TYR 6 HH TYR 6 7.258 3.637 -7.141 55 H SER 7 H SER 7 3.785 4.560 0.809 56 HA SER 7 HA SER 7 6.490 5.170 1.653 57 1HB SER 7 2HB SER 7 4.281 3.681 3.097 58 2HB SER 7 1HB SER 7 5.783 4.264 3.817 59 HG SER 7 HG SER 7 4.412 6.216 2.482 60 H GLU 8 H GLU 8 7.885 3.453 2.591 61 HA GLU 8 HA GLU 8 8.239 1.450 0.614 62 1HB GLU 8 2HB GLU 8 10.114 0.656 2.134 63 2HB GLU 8 1HB GLU 8 10.232 2.294 1.519 64 1HG GLU 8 2HG GLU 8 10.870 2.530 3.713 65 2HG GLU 8 1HG GLU 8 9.168 2.977 3.762 66 H GLU 9 H GLU 9 6.698 1.466 3.723 67 HA GLU 9 HA GLU 9 6.589 -1.263 4.291 68 1HB GLU 9 2HB GLU 9 5.803 0.460 5.844 69 2HB GLU 9 1HB GLU 9 4.486 0.860 4.758 70 1HG GLU 9 2HG GLU 9 3.460 -1.280 5.119 71 2HG GLU 9 1HG GLU 9 4.840 -1.820 6.076 72 H PHE 10 H PHE 10 4.640 0.718 2.155 73 HA PHE 10 HA PHE 10 2.610 -1.081 1.521 74 1HB PHE 10 2HB PHE 10 2.748 1.370 0.933 75 2HB PHE 10 1HB PHE 10 3.846 0.930 -0.367 76 HD1 PHE 10 1HD PHE 10 3.016 0.286 -2.449 77 HD2 PHE 10 2HD PHE 10 0.419 0.365 0.923 78 HE1 PHE 10 1HE PHE 10 1.088 -0.082 -3.927 79 HE2 PHE 10 2HE PHE 10 -1.509 -0.019 -0.553 80 HZ PHE 10 HZ PHE 10 -1.174 -0.240 -2.978 81 H LYS 11 H LYS 11 5.701 -0.520 -0.138 82 HA LYS 11 HA LYS 11 5.385 -2.575 -2.077 83 1HB LYS 11 2HB LYS 11 8.023 -1.531 -1.052 84 2HB LYS 11 1HB LYS 11 7.648 -2.144 -2.656 85 1HG LYS 11 2HG LYS 11 6.460 -0.200 -3.233 86 2HG LYS 11 1HG LYS 11 6.402 0.355 -1.560 87 1HD LYS 11 2HD LYS 11 8.070 1.661 -2.604 88 2HD LYS 11 1HD LYS 11 8.935 0.452 -1.657 89 1HE LYS 11 2HE LYS 11 9.219 -0.904 -3.693 90 2HE LYS 11 1HE LYS 11 8.422 0.367 -4.623 91 1HZ LYS 11 1HZ LYS 11 10.751 0.663 -4.845 92 2HZ LYS 11 2HZ LYS 11 11.002 0.548 -3.172 93 3HZ LYS 11 3HZ LYS 11 10.200 1.896 -3.812 94 H ARG 12 H ARG 12 6.990 -2.356 1.040 95 HA ARG 12 HA ARG 12 8.329 -4.824 1.016 96 1HB ARG 12 2HB ARG 12 8.563 -2.744 2.550 97 2HB ARG 12 1HB ARG 12 7.306 -3.501 3.516 98 1HG ARG 12 2HG ARG 12 8.693 -5.390 3.964 99 2HG ARG 12 1HG ARG 12 9.909 -4.828 2.811 100 1HD ARG 12 2HD ARG 12 10.154 -2.767 4.214 101 2HD ARG 12 1HD ARG 12 9.116 -3.534 5.416 102 HE ARG 12 HE ARG 12 10.951 -5.381 5.255 103 1HH1 ARG 12 1HH1 ARG 12 11.428 -1.904 5.149 104 2HH1 ARG 12 2HH1 ARG 12 13.009 -1.975 5.861 105 1HH2 ARG 12 1HH2 ARG 12 13.052 -5.472 6.171 106 2HH2 ARG 12 2HH2 ARG 12 13.932 -3.993 6.432 107 H ASP 13 H ASP 13 5.129 -3.900 2.150 108 HA ASP 13 HA ASP 13 4.454 -6.457 3.217 109 1HB ASP 13 2HB ASP 13 3.333 -4.451 4.003 110 2HB ASP 13 1HB ASP 13 2.732 -4.115 2.384 111 H ALA 14 H ALA 14 4.003 -4.866 0.112 112 HA ALA 14 HA ALA 14 2.208 -6.680 -1.036 113 1HB ALA 14 1HB ALA 14 2.726 -4.479 -1.986 114 2HB ALA 14 2HB ALA 14 2.895 -5.770 -3.174 115 3HB ALA 14 3HB ALA 14 4.329 -5.058 -2.433 116 H VAL 15 H VAL 15 5.730 -6.745 -0.782 117 HA VAL 15 HA VAL 15 6.164 -8.992 -2.439 118 HB VAL 15 HB VAL 15 7.790 -8.154 -0.029 119 1HG1 VAL 15 1HG1 VAL 15 8.289 -10.423 -0.800 120 2HG1 VAL 15 2HG1 VAL 15 9.633 -9.324 -1.104 121 3HG1 VAL 15 3HG1 VAL 15 8.571 -9.804 -2.428 122 1HG2 VAL 15 1HG2 VAL 15 9.214 -6.974 -1.659 123 2HG2 VAL 15 2HG2 VAL 15 7.584 -6.307 -1.574 124 3HG2 VAL 15 3HG2 VAL 15 8.042 -7.348 -2.922 125 H ALA 16 H ALA 16 5.497 -8.669 1.020 126 HA ALA 16 HA ALA 16 5.713 -11.438 1.622 127 1HB ALA 16 1HB ALA 16 4.641 -10.871 3.740 128 2HB ALA 16 2HB ALA 16 4.209 -9.284 3.103 129 3HB ALA 16 3HB ALA 16 5.904 -9.708 3.345 130 H LEU 17 H LEU 17 3.072 -9.339 0.657 131 HA LEU 17 HA LEU 17 0.940 -11.137 0.985 132 1HB LEU 17 2HB LEU 17 0.805 -8.670 0.529 133 2HB LEU 17 1HB LEU 17 1.219 -9.012 -1.136 134 HG LEU 17 HG LEU 17 -0.841 -10.305 -1.405 135 1HD1 LEU 17 1HD1 LEU 17 -1.415 -9.481 1.438 136 2HD1 LEU 17 2HD1 LEU 17 -1.089 -11.120 0.872 137 3HD1 LEU 17 3HD1 LEU 17 -2.549 -10.280 0.346 138 1HD2 LEU 17 1HD2 LEU 17 -1.309 -7.565 -0.230 139 2HD2 LEU 17 2HD2 LEU 17 -2.409 -8.442 -1.295 140 3HD2 LEU 17 3HD2 LEU 17 -0.841 -7.907 -1.895 141 H TYR 18 H TYR 18 3.279 -10.690 -1.583 142 HA TYR 18 HA TYR 18 2.049 -12.361 -3.511 143 1HB TYR 18 2HB TYR 18 3.835 -10.696 -4.006 144 2HB TYR 18 1HB TYR 18 4.995 -11.750 -3.206 145 HD1 TYR 18 1HD TYR 18 2.390 -11.974 -5.878 146 HD2 TYR 18 2HD TYR 18 6.276 -13.102 -4.567 147 HE1 TYR 18 1HE TYR 18 2.763 -13.138 -8.009 148 HE2 TYR 18 2HE TYR 18 6.658 -14.272 -6.696 149 HH TYR 18 HH TYR 18 5.492 -15.206 -8.538 150 H GLU 19 H GLU 19 4.106 -13.034 -0.760 151 HA GLU 19 HA GLU 19 4.713 -15.727 -1.445 152 1HB GLU 19 2HB GLU 19 4.620 -14.290 1.207 153 2HB GLU 19 1HB GLU 19 5.114 -15.970 1.045 154 1HG GLU 19 2HG GLU 19 6.442 -13.661 -0.355 155 2HG GLU 19 1HG GLU 19 6.996 -14.367 1.163 156 H ASN 20 H ASN 20 1.889 -14.164 -0.409 157 HA ASN 20 HA ASN 20 0.629 -16.652 0.501 158 1HB ASN 20 2HB ASN 20 -0.154 -13.745 0.742 159 2HB ASN 20 1HB ASN 20 -1.263 -15.053 1.129 160 1HD2 ASN 20 1HD2 ASN 20 1.687 -13.427 2.043 161 2HD2 ASN 20 2HD2 ASN 20 1.791 -14.096 3.638 162 H SER 21 H SER 21 1.320 -15.935 -2.299 163 HA SER 21 HA SER 21 -1.019 -15.212 -3.716 164 1HB SER 21 2HB SER 21 0.288 -16.169 -5.693 165 2HB SER 21 1HB SER 21 1.031 -14.840 -4.808 166 HG SER 21 HG SER 21 2.568 -16.115 -4.123 167 H ASP 22 H ASP 22 -0.082 -18.105 -2.256 168 HA ASP 22 HA ASP 22 -1.277 -20.040 -3.889 169 1HB ASP 22 2HB ASP 22 -0.994 -20.028 -0.873 170 2HB ASP 22 1HB ASP 22 -1.399 -21.438 -1.848 171 H GLY 23 H GLY 23 -2.709 -17.546 -2.081 172 1HA GLY 23 2HA GLY 23 -5.353 -18.749 -2.592 173 2HA GLY 23 1HA GLY 23 -5.022 -17.901 -1.089 174 H ALA 24 H ALA 24 -3.536 -16.714 -3.951 175 HA ALA 24 HA ALA 24 -5.583 -14.870 -4.701 176 1HB ALA 24 1HB ALA 24 -4.932 -13.811 -2.602 177 2HB ALA 24 2HB ALA 24 -4.457 -12.815 -3.977 178 3HB ALA 24 3HB ALA 24 -3.250 -13.779 -3.130 179 H SER 25 H SER 25 -5.279 -14.635 -6.805 180 HA SER 25 HA SER 25 -2.908 -15.419 -8.121 181 1HB SER 25 2HB SER 25 -5.221 -13.765 -9.161 182 2HB SER 25 1HB SER 25 -4.020 -14.596 -10.153 183 HG SER 25 HG SER 25 -4.742 -16.572 -9.132 184 H LEU 26 H LEU 26 -1.469 -14.148 -9.396 185 HA LEU 26 HA LEU 26 -0.287 -12.007 -8.078 186 1HB LEU 26 2HB LEU 26 0.616 -13.557 -9.936 187 2HB LEU 26 1HB LEU 26 -0.091 -12.411 -11.055 188 HG LEU 26 HG LEU 26 1.960 -11.603 -8.989 189 1HD1 LEU 26 1HD1 LEU 26 2.938 -13.308 -10.407 190 2HD1 LEU 26 2HD1 LEU 26 3.608 -11.722 -10.796 191 3HD1 LEU 26 3HD1 LEU 26 2.391 -12.451 -11.846 192 1HD2 LEU 26 1HD2 LEU 26 2.297 -9.694 -10.472 193 2HD2 LEU 26 2HD2 LEU 26 0.617 -9.786 -9.944 194 3HD2 LEU 26 3HD2 LEU 26 1.057 -10.315 -11.567 195 H GLN 27 H GLN 27 -2.489 -11.956 -10.884 196 HA GLN 27 HA GLN 27 -2.545 -9.182 -11.237 197 1HB GLN 27 2HB GLN 27 -3.489 -10.682 -12.904 198 2HB GLN 27 1HB GLN 27 -4.730 -11.204 -11.770 199 1HG GLN 27 2HG GLN 27 -5.653 -9.621 -13.356 200 2HG GLN 27 1HG GLN 27 -5.647 -8.936 -11.734 201 1HE2 GLN 27 1HE2 GLN 27 -4.288 -7.234 -11.257 202 2HE2 GLN 27 2HE2 GLN 27 -3.500 -6.308 -12.488 203 H GLN 28 H GLN 28 -4.485 -11.269 -9.144 204 HA GLN 28 HA GLN 28 -6.360 -9.368 -8.305 205 1HB GLN 28 2HB GLN 28 -6.616 -11.770 -7.890 206 2HB GLN 28 1HB GLN 28 -5.250 -11.736 -6.785 207 1HG GLN 28 2HG GLN 28 -7.345 -11.780 -5.572 208 2HG GLN 28 1HG GLN 28 -6.491 -10.264 -5.286 209 1HE2 GLN 28 1HE2 GLN 28 -7.317 -8.351 -6.142 210 2HE2 GLN 28 2HE2 GLN 28 -8.943 -8.236 -6.719 211 H ILE 29 H ILE 29 -3.140 -10.135 -7.092 212 HA ILE 29 HA ILE 29 -3.206 -8.515 -4.791 213 HB ILE 29 HB ILE 29 -0.784 -9.175 -6.474 214 1HG1 ILE 29 2HG1 ILE 29 -1.949 -11.221 -5.825 215 2HG1 ILE 29 1HG1 ILE 29 -0.451 -11.060 -4.910 216 1HG2 ILE 29 1HG2 ILE 29 -1.005 -8.380 -3.574 217 2HG2 ILE 29 2HG2 ILE 29 -0.388 -7.374 -4.885 218 3HG2 ILE 29 3HG2 ILE 29 0.476 -8.837 -4.414 219 1HD1 ILE 29 1HD1 ILE 29 -3.222 -10.431 -3.912 220 2HD1 ILE 29 2HD1 ILE 29 -1.730 -10.254 -2.987 221 3HD1 ILE 29 3HD1 ILE 29 -2.263 -11.855 -3.505 222 H ALA 30 H ALA 30 -1.784 -7.849 -7.986 223 HA ALA 30 HA ALA 30 -1.178 -5.141 -7.444 224 1HB ALA 30 1HB ALA 30 -0.769 -4.928 -9.821 225 2HB ALA 30 2HB ALA 30 -1.620 -6.442 -10.129 226 3HB ALA 30 3HB ALA 30 -0.103 -6.450 -9.231 227 H ASN 31 H ASN 31 -4.039 -6.738 -8.566 228 HA ASN 31 HA ASN 31 -5.417 -4.539 -9.670 229 1HB ASN 31 2HB ASN 31 -6.010 -6.965 -9.940 230 2HB ASN 31 1HB ASN 31 -6.610 -6.949 -8.285 231 1HD2 ASN 31 1HD2 ASN 31 -7.196 -6.027 -11.554 232 2HD2 ASN 31 2HD2 ASN 31 -8.823 -5.488 -11.328 233 H ASP 32 H ASP 32 -5.276 -5.873 -6.399 234 HA ASP 32 HA ASP 32 -7.236 -4.163 -5.271 235 1HB ASP 32 2HB ASP 32 -6.403 -6.322 -4.263 236 2HB ASP 32 1HB ASP 32 -4.920 -5.475 -3.833 237 H LEU 33 H LEU 33 -3.752 -3.967 -5.635 238 HA LEU 33 HA LEU 33 -3.454 -1.559 -4.133 239 1HB LEU 33 2HB LEU 33 -1.693 -3.168 -5.938 240 2HB LEU 33 1HB LEU 33 -1.202 -1.554 -5.468 241 HG LEU 33 HG LEU 33 -1.217 -2.206 -3.111 242 1HD1 LEU 33 1HD1 LEU 33 -1.918 -4.973 -4.082 243 2HD1 LEU 33 2HD1 LEU 33 -3.001 -3.892 -3.204 244 3HD1 LEU 33 3HD1 LEU 33 -1.545 -4.507 -2.420 245 1HD2 LEU 33 1HD2 LEU 33 0.825 -2.493 -4.403 246 2HD2 LEU 33 2HD2 LEU 33 0.322 -4.125 -4.847 247 3HD2 LEU 33 3HD2 LEU 33 0.676 -3.741 -3.163 248 H GLY 34 H GLY 34 -4.211 -2.335 -7.420 249 1HA GLY 34 2HA GLY 34 -5.214 -0.885 -8.955 250 2HA GLY 34 1HA GLY 34 -4.740 0.474 -7.950 251 H ILE 35 H ILE 35 -2.375 -1.915 -8.790 252 HA ILE 35 HA ILE 35 -1.142 0.012 -10.657 253 HB ILE 35 HB ILE 35 1.055 -0.895 -9.944 254 1HG1 ILE 35 2HG1 ILE 35 -0.524 -2.213 -7.729 255 2HG1 ILE 35 1HG1 ILE 35 0.190 -3.071 -9.085 256 1HG2 ILE 35 1HG2 ILE 35 -0.629 0.292 -7.747 257 2HG2 ILE 35 2HG2 ILE 35 0.230 1.185 -9.003 258 3HG2 ILE 35 3HG2 ILE 35 1.132 0.279 -7.788 259 1HD1 ILE 35 1HD1 ILE 35 2.413 -2.411 -8.354 260 2HD1 ILE 35 2HD1 ILE 35 1.546 -3.259 -7.071 261 3HD1 ILE 35 3HD1 ILE 35 1.706 -1.504 -7.016 262 H ASN 36 H ASN 36 0.554 -1.128 -12.071 263 HA ASN 36 HA ASN 36 -0.679 -3.263 -13.488 264 1HB ASN 36 2HB ASN 36 0.812 -1.476 -14.477 265 2HB ASN 36 1HB ASN 36 2.172 -2.290 -13.723 266 1HD2 ASN 36 1HD2 ASN 36 -0.303 -2.490 -16.149 267 2HD2 ASN 36 2HD2 ASN 36 0.421 -3.781 -17.046 268 H ARG 37 H ARG 37 0.117 -5.408 -13.743 269 HA ARG 37 HA ARG 37 0.906 -6.631 -11.343 270 1HB ARG 37 2HB ARG 37 0.912 -8.678 -12.590 271 2HB ARG 37 1HB ARG 37 -0.446 -7.715 -13.124 272 1HG ARG 37 2HG ARG 37 0.735 -7.087 -15.128 273 2HG ARG 37 1HG ARG 37 2.183 -7.927 -14.571 274 1HD ARG 37 2HD ARG 37 0.857 -10.042 -14.547 275 2HD ARG 37 1HD ARG 37 -0.475 -9.152 -15.286 276 HE ARG 37 HE ARG 37 1.406 -8.625 -17.041 277 1HH1 ARG 37 1HH1 ARG 37 0.633 -11.671 -15.476 278 2HH1 ARG 37 2HH1 ARG 37 1.312 -12.641 -16.752 279 1HH2 ARG 37 1HH2 ARG 37 2.272 -9.913 -18.729 280 2HH2 ARG 37 2HH2 ARG 37 2.235 -11.647 -18.588 281 H VAL 38 H VAL 38 2.690 -5.443 -14.097 282 HA VAL 38 HA VAL 38 5.139 -6.771 -13.471 283 HB VAL 38 HB VAL 38 4.660 -4.308 -15.164 284 1HG1 VAL 38 1HG1 VAL 38 7.093 -6.086 -14.963 285 2HG1 VAL 38 2HG1 VAL 38 6.982 -4.415 -14.410 286 3HG1 VAL 38 3HG1 VAL 38 6.870 -4.786 -16.131 287 1HG2 VAL 38 1HG2 VAL 38 3.507 -6.318 -15.978 288 2HG2 VAL 38 2HG2 VAL 38 5.038 -7.197 -15.954 289 3HG2 VAL 38 3HG2 VAL 38 4.819 -5.836 -17.055 290 H THR 39 H THR 39 3.769 -3.585 -12.751 291 HA THR 39 HA THR 39 5.940 -2.417 -11.457 292 HB THR 39 HB THR 39 3.053 -2.134 -10.594 293 HG1 THR 39 1HG THR 39 4.394 -0.597 -12.588 294 1HG2 THR 39 1HG2 THR 39 4.633 -1.032 -9.109 295 2HG2 THR 39 2HG2 THR 39 3.750 0.173 -10.047 296 3HG2 THR 39 3HG2 THR 39 5.409 -0.242 -10.484 297 H LEU 40 H LEU 40 3.404 -4.536 -10.193 298 HA LEU 40 HA LEU 40 4.259 -4.658 -7.524 299 1HB LEU 40 2HB LEU 40 2.073 -5.453 -8.233 300 2HB LEU 40 1HB LEU 40 2.814 -6.696 -9.220 301 HG LEU 40 HG LEU 40 3.743 -7.693 -7.102 302 1HD1 LEU 40 1HD1 LEU 40 2.668 -7.067 -5.002 303 2HD1 LEU 40 2HD1 LEU 40 1.813 -5.763 -5.827 304 3HD1 LEU 40 3HD1 LEU 40 3.571 -5.716 -5.689 305 1HD2 LEU 40 1HD2 LEU 40 1.817 -8.640 -8.227 306 2HD2 LEU 40 2HD2 LEU 40 0.751 -7.505 -7.396 307 3HD2 LEU 40 3HD2 LEU 40 1.615 -8.739 -6.477 308 H LYS 41 H LYS 41 4.888 -6.847 -10.247 309 HA LYS 41 HA LYS 41 6.521 -8.695 -8.958 310 1HB LYS 41 2HB LYS 41 5.501 -8.870 -11.243 311 2HB LYS 41 1HB LYS 41 6.750 -7.789 -11.828 312 1HG LYS 41 2HG LYS 41 8.463 -9.391 -11.333 313 2HG LYS 41 1HG LYS 41 7.299 -10.447 -10.529 314 1HD LYS 41 2HD LYS 41 6.119 -10.764 -12.638 315 2HD LYS 41 1HD LYS 41 7.255 -9.688 -13.447 316 1HE LYS 41 2HE LYS 41 9.072 -11.215 -13.036 317 2HE LYS 41 1HE LYS 41 8.028 -12.256 -12.067 318 1HZ LYS 41 1HZ LYS 41 6.787 -12.859 -13.970 319 2HZ LYS 41 2HZ LYS 41 8.415 -13.006 -14.413 320 3HZ LYS 41 3HZ LYS 41 7.515 -11.667 -14.929 321 H ASN 42 H ASN 42 7.370 -5.729 -10.655 322 HA ASN 42 HA ASN 42 10.145 -5.899 -10.493 323 1HB ASN 42 2HB ASN 42 8.236 -3.604 -10.718 324 2HB ASN 42 1HB ASN 42 9.956 -3.292 -10.512 325 1HD2 ASN 42 1HD2 ASN 42 9.980 -2.326 -12.574 326 2HD2 ASN 42 2HD2 ASN 42 9.987 -3.285 -14.016 327 H TRP 43 H TRP 43 7.847 -4.692 -8.064 328 HA TRP 43 HA TRP 43 9.847 -3.809 -6.231 329 1HB TRP 43 2HB TRP 43 6.988 -4.698 -5.772 330 2HB TRP 43 1HB TRP 43 8.022 -4.073 -4.497 331 HD1 TRP 43 HD TRP 43 9.153 -1.768 -6.781 332 HE1 TRP 43 1HE TRP 43 7.672 0.329 -7.012 333 HE3 TRP 43 3HE TRP 43 4.856 -3.574 -4.679 334 HZ2 TRP 43 2HZ TRP 43 5.036 1.109 -6.375 335 HZ3 TRP 43 3HZ TRP 43 2.908 -2.084 -4.517 336 HH2 TRP 43 HH TRP 43 2.998 0.207 -5.346 337 H ILE 44 H ILE 44 8.021 -6.793 -6.599 338 HA ILE 44 HA ILE 44 8.923 -8.156 -4.340 339 HB ILE 44 HB ILE 44 8.127 -9.345 -7.001 340 1HG1 ILE 44 2HG1 ILE 44 6.387 -8.872 -4.581 341 2HG1 ILE 44 1HG1 ILE 44 6.498 -7.727 -5.912 342 1HG2 ILE 44 1HG2 ILE 44 9.237 -10.961 -5.541 343 2HG2 ILE 44 2HG2 ILE 44 7.519 -11.329 -5.702 344 3HG2 ILE 44 3HG2 ILE 44 8.121 -10.554 -4.237 345 1HD1 ILE 44 1HD1 ILE 44 5.527 -10.566 -6.073 346 2HD1 ILE 44 2HD1 ILE 44 5.690 -9.467 -7.442 347 3HD1 ILE 44 3HD1 ILE 44 4.542 -9.105 -6.151 348 H ILE 45 H ILE 45 10.171 -8.270 -7.673 349 HA ILE 45 HA ILE 45 12.185 -10.169 -7.227 350 HB ILE 45 HB ILE 45 12.161 -7.916 -9.242 351 1HG1 ILE 45 2HG1 ILE 45 11.288 -10.799 -9.526 352 2HG1 ILE 45 1HG1 ILE 45 10.194 -9.428 -9.366 353 1HG2 ILE 45 1HG2 ILE 45 13.770 -10.473 -9.211 354 2HG2 ILE 45 2HG2 ILE 45 14.399 -8.840 -8.981 355 3HG2 ILE 45 3HG2 ILE 45 13.711 -9.310 -10.536 356 1HD1 ILE 45 1HD1 ILE 45 11.026 -8.524 -11.475 357 2HD1 ILE 45 2HD1 ILE 45 10.394 -10.159 -11.675 358 3HD1 ILE 45 3HD1 ILE 45 12.136 -9.888 -11.622 359 H LYS 46 H LYS 46 12.128 -6.711 -6.655 360 HA LYS 46 HA LYS 46 14.998 -6.544 -6.381 361 1HB LYS 46 2HB LYS 46 13.550 -4.715 -7.333 362 2HB LYS 46 1HB LYS 46 12.951 -4.433 -5.705 363 1HG LYS 46 2HG LYS 46 15.163 -3.847 -4.946 364 2HG LYS 46 1HG LYS 46 15.838 -4.233 -6.532 365 1HD LYS 46 2HD LYS 46 14.332 -2.473 -7.495 366 2HD LYS 46 1HD LYS 46 13.918 -2.014 -5.842 367 1HE LYS 46 2HE LYS 46 15.664 -0.569 -6.726 368 2HE LYS 46 1HE LYS 46 16.275 -1.535 -5.385 369 1HZ LYS 46 1HZ LYS 46 17.808 -1.400 -7.304 370 2HZ LYS 46 2HZ LYS 46 16.666 -2.225 -8.247 371 3HZ LYS 46 3HZ LYS 46 17.370 -2.991 -6.916 372 H TYR 47 H TYR 47 12.187 -6.382 -4.226 373 HA TYR 47 HA TYR 47 13.902 -5.973 -1.927 374 1HB TYR 47 2HB TYR 47 10.918 -6.110 -2.277 375 2HB TYR 47 1HB TYR 47 11.664 -6.062 -0.682 376 HD1 TYR 47 1HD TYR 47 11.252 -4.174 -3.850 377 HD2 TYR 47 2HD TYR 47 12.483 -4.035 0.220 378 HE1 TYR 47 1HE TYR 47 11.377 -1.723 -3.979 379 HE2 TYR 47 2HE TYR 47 12.607 -1.581 0.104 380 HH TYR 47 HH TYR 47 12.869 0.170 -1.558 381 H GLY 48 H GLY 48 12.143 -8.614 -3.388 382 1HA GLY 48 2HA GLY 48 12.726 -10.284 -1.031 383 2HA GLY 48 1HA GLY 48 11.529 -10.647 -2.264 384 H SER 49 H SER 49 14.721 -9.533 -3.091 385 HA SER 49 HA SER 49 15.211 -11.916 -4.629 386 1HB SER 49 2HB SER 49 15.855 -9.622 -5.405 387 2HB SER 49 1HB SER 49 17.050 -9.559 -4.112 388 HG SER 49 HG SER 49 17.062 -11.003 -6.493 389 H ASN 50 H ASN 50 16.344 -10.465 -1.653 390 HA ASN 50 HA ASN 50 17.664 -11.157 0.033 391 1HB ASN 50 2HB ASN 50 16.082 -13.058 0.104 392 2HB ASN 50 1HB ASN 50 17.121 -13.950 -1.004 393 1HD2 ASN 50 1HD2 ASN 50 17.499 -15.601 0.466 394 2HD2 ASN 50 2HD2 ASN 50 18.500 -15.384 1.866 395 H HIS 51 H HIS 51 18.782 -13.986 -1.680 396 HA HIS 51 HA HIS 51 21.118 -12.656 -2.748 397 1HB HIS 51 2HB HIS 51 21.353 -14.616 -0.463 398 2HB HIS 51 1HB HIS 51 22.696 -14.187 -1.508 399 HD1 HIS 51 1HD HIS 51 23.274 -11.484 -1.481 400 HD2 HIS 51 2HD HIS 51 21.115 -13.022 1.733 401 HE1 HIS 51 1HE HIS 51 23.532 -9.814 0.377 402 HE2 HIS 51 2HE HIS 51 22.186 -10.730 2.290 403 H ASN 52 H ASN 52 20.225 -13.534 -4.678 404 HA ASN 52 HA ASN 52 20.419 -16.456 -4.926 405 1HB ASN 52 2HB ASN 52 18.359 -15.198 -5.768 406 2HB ASN 52 1HB ASN 52 19.391 -14.544 -7.035 407 1HD2 ASN 52 1HD2 ASN 52 20.231 -15.959 -8.613 408 2HD2 ASN 52 2HD2 ASN 52 19.514 -17.505 -8.914 409 H VAL 53 H VAL 53 22.829 -15.597 -4.565 410 HA VAL 53 HA VAL 53 24.153 -14.720 -6.947 411 HB VAL 53 HB VAL 53 25.086 -14.115 -4.802 412 1HG1 VAL 53 1HG1 VAL 53 26.081 -15.727 -3.276 413 2HG1 VAL 53 2HG1 VAL 53 25.521 -17.048 -4.302 414 3HG1 VAL 53 3HG1 VAL 53 24.352 -16.012 -3.480 415 1HG2 VAL 53 1HG2 VAL 53 27.418 -14.816 -5.121 416 2HG2 VAL 53 2HG2 VAL 53 26.647 -14.319 -6.629 417 3HG2 VAL 53 3HG2 VAL 53 26.873 -16.032 -6.275 418 H GLN 54 H GLN 54 24.078 -17.779 -5.155 419 HA GLN 54 HA GLN 54 24.828 -19.157 -7.640 420 1HB GLN 54 2HB GLN 54 25.566 -19.575 -4.836 421 2HB GLN 54 1HB GLN 54 25.028 -21.042 -5.634 422 1HG GLN 54 2HG GLN 54 27.395 -20.913 -5.811 423 2HG GLN 54 1HG GLN 54 26.710 -20.630 -7.409 424 1HE2 GLN 54 1HE2 GLN 54 26.946 -18.614 -8.361 425 2HE2 GLN 54 2HE2 GLN 54 28.006 -17.396 -7.729 426 H GLY 55 H GLY 55 22.946 -19.627 -8.617 427 1HA GLY 55 2HA GLY 55 21.308 -21.680 -7.628 428 2HA GLY 55 1HA GLY 55 20.506 -20.144 -7.329 429 H THR 56 H THR 56 20.618 -22.628 -9.374 430 HA THR 56 HA THR 56 20.093 -23.087 -11.507 431 HB THR 56 HB THR 56 18.285 -21.674 -12.517 432 HG1 THR 56 1HG THR 56 19.113 -19.825 -10.955 433 1HG2 THR 56 1HG2 THR 56 17.870 -22.634 -9.690 434 2HG2 THR 56 2HG2 THR 56 17.763 -23.614 -11.152 435 3HG2 THR 56 3HG2 THR 56 16.590 -22.329 -10.865 436 H THR 57 H THR 57 21.997 -22.913 -12.601 437 HA THR 57 HA THR 57 22.600 -20.328 -13.851 438 HB THR 57 HB THR 57 24.846 -21.551 -14.328 439 HG1 THR 57 1HG THR 57 25.284 -23.257 -12.972 440 1HG2 THR 57 1HG2 THR 57 24.621 -19.665 -12.794 441 2HG2 THR 57 2HG2 THR 57 25.720 -20.877 -12.136 442 3HG2 THR 57 3HG2 THR 57 24.072 -20.754 -11.519 443 HA PRO 58 HA PRO 58 20.937 -22.548 -17.468 444 1HB PRO 58 2HB PRO 58 20.983 -19.866 -18.660 445 2HB PRO 58 1HB PRO 58 19.620 -20.961 -18.418 446 1HG PRO 58 2HG PRO 58 19.906 -18.703 -16.974 447 2HG PRO 58 1HG PRO 58 19.191 -20.175 -16.289 448 1HD PRO 58 2HD PRO 58 21.959 -19.078 -15.964 449 2HD PRO 58 1HD PRO 58 20.887 -19.813 -14.750 450 H SER 59 H SER 59 23.672 -20.533 -17.066 451 HA SER 59 HA SER 59 24.711 -20.534 -19.680 452 1HB SER 59 2HB SER 59 26.909 -20.119 -18.329 453 2HB SER 59 1HB SER 59 25.621 -18.911 -18.283 454 HG SER 59 HG SER 59 26.624 -19.697 -16.198 455 H ALA 60 H ALA 60 24.970 -22.822 -17.021 456 HA ALA 60 HA ALA 60 27.119 -24.332 -18.091 457 1HB ALA 60 1HB ALA 60 26.494 -26.027 -16.435 458 2HB ALA 60 2HB ALA 60 24.990 -25.159 -16.121 459 3HB ALA 60 3HB ALA 60 26.539 -24.412 -15.728 460 H ALA 61 H ALA 61 23.700 -24.328 -18.610 461 HA ALA 61 HA ALA 61 23.639 -26.942 -19.823 462 1HB ALA 61 1HB ALA 61 21.712 -26.144 -18.556 463 2HB ALA 61 2HB ALA 61 21.274 -26.488 -20.230 464 3HB ALA 61 3HB ALA 61 21.500 -24.822 -19.705 465 H VAL 62 H VAL 62 24.766 -24.057 -20.855 466 HA VAL 62 HA VAL 62 23.811 -24.172 -23.580 467 HB VAL 62 HB VAL 62 26.026 -22.505 -22.371 468 1HG1 VAL 62 1HG1 VAL 62 26.254 -22.824 -24.803 469 2HG1 VAL 62 2HG1 VAL 62 25.900 -21.151 -24.372 470 3HG1 VAL 62 3HG1 VAL 62 24.626 -22.184 -25.019 471 1HG2 VAL 62 1HG2 VAL 62 24.397 -20.671 -22.418 472 2HG2 VAL 62 2HG2 VAL 62 23.844 -21.999 -21.397 473 3HG2 VAL 62 3HG2 VAL 62 23.167 -21.787 -23.009 474 H SER 63 H SER 63 26.849 -24.739 -21.895 475 HA SER 63 HA SER 63 28.219 -25.695 -24.218 476 1HB SER 63 2HB SER 63 28.981 -26.006 -21.305 477 2HB SER 63 1HB SER 63 30.050 -26.176 -22.697 478 HG SER 63 HG SER 63 29.479 -23.925 -23.175 479 H GLU 64 H GLU 64 26.546 -27.145 -21.488 480 HA GLU 64 HA GLU 64 27.405 -29.803 -21.845 481 1HB GLU 64 2HB GLU 64 26.209 -28.707 -19.848 482 2HB GLU 64 1HB GLU 64 24.724 -29.013 -20.735 483 1HG GLU 64 2HG GLU 64 24.956 -30.794 -19.232 484 2HG GLU 64 1HG GLU 64 25.417 -31.437 -20.805 485 H ALA 65 H ALA 65 25.149 -27.876 -23.541 486 HA ALA 65 HA ALA 65 23.319 -29.789 -24.450 487 1HB ALA 65 1HB ALA 65 22.936 -27.377 -24.582 488 2HB ALA 65 2HB ALA 65 22.707 -28.158 -26.146 489 3HB ALA 65 3HB ALA 65 24.183 -27.248 -25.821 490 H GLU 66 H GLU 66 26.524 -28.957 -25.605 491 HA GLU 66 HA GLU 66 26.281 -30.101 -28.193 492 1HB GLU 66 2HB GLU 66 28.064 -28.466 -27.404 493 2HB GLU 66 1HB GLU 66 28.831 -29.826 -26.603 494 1HG GLU 66 2HG GLU 66 29.917 -29.434 -28.704 495 2HG GLU 66 1HG GLU 66 29.047 -30.966 -28.774 496 H GLN 67 H GLN 67 27.284 -31.346 -25.076 497 HA GLN 67 HA GLN 67 28.132 -33.887 -26.119 498 1HB GLN 67 2HB GLN 67 27.646 -33.022 -23.262 499 2HB GLN 67 1HB GLN 67 28.513 -34.468 -23.775 500 1HG GLN 67 2HG GLN 67 30.240 -33.135 -24.789 501 2HG GLN 67 1HG GLN 67 29.348 -31.654 -24.453 502 1HE2 GLN 67 1HE2 GLN 67 30.969 -30.745 -23.300 503 2HE2 GLN 67 2HE2 GLN 67 31.423 -31.294 -21.721 504 H ILE 68 H ILE 68 25.355 -32.652 -24.317 505 HA ILE 68 HA ILE 68 23.910 -35.057 -24.133 506 HB ILE 68 HB ILE 68 23.307 -32.176 -23.855 507 1HG1 ILE 68 2HG1 ILE 68 22.236 -32.951 -21.787 508 2HG1 ILE 68 1HG1 ILE 68 22.415 -34.623 -22.308 509 1HG2 ILE 68 1HG2 ILE 68 20.869 -32.512 -23.780 510 2HG2 ILE 68 2HG2 ILE 68 21.090 -34.137 -24.433 511 3HG2 ILE 68 3HG2 ILE 68 21.533 -32.730 -25.400 512 1HD1 ILE 68 1HD1 ILE 68 24.812 -34.442 -22.163 513 2HD1 ILE 68 2HD1 ILE 68 24.075 -33.959 -20.635 514 3HD1 ILE 68 3HD1 ILE 68 24.688 -32.735 -21.749 515 H ARG 69 H ARG 69 24.276 -32.710 -26.671 516 HA ARG 69 HA ARG 69 22.285 -33.369 -28.471 517 1HB ARG 69 2HB ARG 69 23.951 -31.503 -28.598 518 2HB ARG 69 1HB ARG 69 25.160 -32.672 -29.092 519 1HG ARG 69 2HG ARG 69 23.826 -33.150 -31.107 520 2HG ARG 69 1HG ARG 69 22.689 -31.886 -30.613 521 1HD ARG 69 2HD ARG 69 24.620 -30.297 -30.540 522 2HD ARG 69 1HD ARG 69 25.619 -31.563 -31.247 523 HE ARG 69 HE ARG 69 23.258 -30.954 -32.770 524 1HH1 ARG 69 1HH1 ARG 69 26.602 -30.104 -32.156 525 2HH1 ARG 69 2HH1 ARG 69 26.802 -29.312 -33.693 526 1HH2 ARG 69 1HH2 ARG 69 23.524 -29.876 -34.770 527 2HH2 ARG 69 2HH2 ARG 69 25.077 -29.198 -35.177 528 H GLN 70 H GLN 70 25.354 -34.949 -27.845 529 HA GLN 70 HA GLN 70 25.200 -36.774 -30.040 530 1HB GLN 70 2HB GLN 70 27.272 -35.834 -28.921 531 2HB GLN 70 1HB GLN 70 26.940 -36.913 -27.589 532 1HG GLN 70 2HG GLN 70 27.153 -38.040 -30.323 533 2HG GLN 70 1HG GLN 70 28.613 -37.564 -29.463 534 1HE2 GLN 70 1HE2 GLN 70 27.796 -40.216 -30.266 535 2HE2 GLN 70 2HE2 GLN 70 27.684 -41.159 -28.825 536 H LEU 71 H LEU 71 24.822 -36.981 -26.549 537 HA LEU 71 HA LEU 71 24.462 -39.832 -26.610 538 1HB LEU 71 2HB LEU 71 25.679 -38.470 -24.841 539 2HB LEU 71 1HB LEU 71 24.100 -38.010 -24.244 540 HG LEU 71 HG LEU 71 24.854 -40.907 -24.488 541 1HD1 LEU 71 1HD1 LEU 71 26.626 -39.823 -23.203 542 2HD1 LEU 71 2HD1 LEU 71 25.626 -40.854 -22.181 543 3HD1 LEU 71 3HD1 LEU 71 25.416 -39.105 -22.140 544 1HD2 LEU 71 1HD2 LEU 71 22.503 -40.360 -24.065 545 2HD2 LEU 71 2HD2 LEU 71 22.976 -39.424 -22.648 546 3HD2 LEU 71 3HD2 LEU 71 23.236 -41.167 -22.681 547 H LYS 72 H LYS 72 22.337 -37.068 -25.785 548 HA LYS 72 HA LYS 72 20.231 -38.795 -24.916 549 1HB LYS 72 2HB LYS 72 20.633 -36.435 -24.098 550 2HB LYS 72 1HB LYS 72 19.976 -35.873 -25.626 551 1HG LYS 72 2HG LYS 72 17.829 -36.733 -25.138 552 2HG LYS 72 1HG LYS 72 18.438 -37.681 -23.780 553 1HD LYS 72 2HD LYS 72 17.313 -35.782 -22.880 554 2HD LYS 72 1HD LYS 72 19.043 -35.518 -22.664 555 1HE LYS 72 2HE LYS 72 18.218 -33.465 -23.423 556 2HE LYS 72 1HE LYS 72 18.945 -34.210 -24.844 557 1HZ LYS 72 1HZ LYS 72 16.811 -33.223 -25.365 558 2HZ LYS 72 2HZ LYS 72 16.045 -34.174 -24.191 559 3HZ LYS 72 3HZ LYS 72 16.733 -34.907 -25.561 560 H LYS 73 H LYS 73 21.036 -37.210 -27.923 561 HA LYS 73 HA LYS 73 18.883 -38.765 -29.189 562 1HB LYS 73 2HB LYS 73 18.730 -36.096 -29.109 563 2HB LYS 73 1HB LYS 73 19.806 -36.246 -30.492 564 1HG LYS 73 2HG LYS 73 18.156 -37.673 -31.611 565 2HG LYS 73 1HG LYS 73 17.085 -37.505 -30.221 566 1HD LYS 73 2HD LYS 73 17.284 -34.979 -30.621 567 2HD LYS 73 1HD LYS 73 17.929 -35.418 -32.203 568 1HE LYS 73 2HE LYS 73 15.238 -36.203 -31.086 569 2HE LYS 73 1HE LYS 73 15.537 -34.985 -32.322 570 1HZ LYS 73 1HZ LYS 73 16.338 -36.691 -33.802 571 2HZ LYS 73 2HZ LYS 73 14.792 -37.105 -33.246 572 3HZ LYS 73 3HZ LYS 73 16.153 -37.880 -32.606 573 H GLU 74 H GLU 74 19.909 -40.373 -30.171 574 HA GLU 74 HA GLU 74 22.646 -40.543 -30.417 575 1HB GLU 74 2HB GLU 74 22.179 -42.475 -31.993 576 2HB GLU 74 1HB GLU 74 21.458 -42.563 -30.395 577 1HG GLU 74 2HG GLU 74 19.325 -41.793 -31.343 578 2HG GLU 74 1HG GLU 74 20.062 -41.787 -32.946 579 H ASN 75 H ASN 75 23.982 -39.445 -31.546 580 HA ASN 75 HA ASN 75 23.364 -37.894 -33.823 581 1HB ASN 75 2HB ASN 75 25.175 -37.459 -32.164 582 2HB ASN 75 1HB ASN 75 26.081 -38.789 -32.853 583 1HD2 ASN 75 1HD2 ASN 75 24.837 -35.580 -33.436 584 2HD2 ASN 75 2HD2 ASN 75 25.876 -35.215 -34.771 585 H ALA 76 H ALA 76 24.128 -41.140 -33.423 586 HA ALA 76 HA ALA 76 25.468 -41.874 -35.724 587 1HB ALA 76 1HB ALA 76 24.962 -43.416 -33.879 588 2HB ALA 76 2HB ALA 76 24.497 -44.077 -35.446 589 3HB ALA 76 3HB ALA 76 23.268 -43.418 -34.369 590 H LEU 77 H LEU 77 22.070 -41.107 -35.310 591 HA LEU 77 HA LEU 77 21.144 -42.004 -37.810 592 1HB LEU 77 2HB LEU 77 20.119 -39.793 -36.023 593 2HB LEU 77 1HB LEU 77 19.259 -40.440 -37.400 594 HG LEU 77 HG LEU 77 19.991 -41.981 -34.914 595 1HD1 LEU 77 1HD1 LEU 77 17.339 -40.960 -35.913 596 2HD1 LEU 77 2HD1 LEU 77 18.235 -40.355 -34.520 597 3HD1 LEU 77 3HD1 LEU 77 17.577 -41.992 -34.504 598 1HD2 LEU 77 1HD2 LEU 77 18.380 -42.818 -37.323 599 2HD2 LEU 77 2HD2 LEU 77 18.637 -43.770 -35.861 600 3HD2 LEU 77 3HD2 LEU 77 19.999 -43.390 -36.913 601 H GLN 78 H GLN 78 22.531 -38.956 -36.735 602 HA GLN 78 HA GLN 78 22.109 -37.500 -39.128 603 1HB GLN 78 2HB GLN 78 22.577 -36.412 -36.987 604 2HB GLN 78 1HB GLN 78 24.165 -37.158 -36.931 605 1HG GLN 78 2HG GLN 78 23.688 -35.568 -39.337 606 2HG GLN 78 1HG GLN 78 23.615 -34.646 -37.835 607 1HE2 GLN 78 1HE2 GLN 78 25.643 -36.368 -40.040 608 2HE2 GLN 78 2HE2 GLN 78 27.152 -35.989 -39.281 609 H ARG 79 H ARG 79 24.690 -39.564 -37.944 610 HA ARG 79 HA ARG 79 26.522 -38.953 -40.034 611 1HB ARG 79 2HB ARG 79 26.457 -41.312 -38.149 612 2HB ARG 79 1HB ARG 79 27.828 -40.830 -39.140 613 1HG ARG 79 2HG ARG 79 28.005 -38.740 -37.932 614 2HG ARG 79 1HG ARG 79 26.580 -39.149 -36.979 615 1HD ARG 79 2HD ARG 79 27.820 -41.151 -36.139 616 2HD ARG 79 1HD ARG 79 29.257 -40.534 -36.960 617 HE ARG 79 HE ARG 79 28.203 -38.505 -35.330 618 1HH1 ARG 79 1HH1 ARG 79 29.831 -41.592 -35.006 619 2HH1 ARG 79 2HH1 ARG 79 30.535 -41.207 -33.462 620 1HH2 ARG 79 1HH2 ARG 79 29.129 -37.989 -33.324 621 2HH2 ARG 79 2HH2 ARG 79 30.137 -39.142 -32.500 622 H ALA 80 H ALA 80 23.863 -41.076 -39.733 623 HA ALA 80 HA ALA 80 24.621 -42.828 -41.883 624 1HB ALA 80 1HB ALA 80 23.147 -43.608 -40.079 625 2HB ALA 80 2HB ALA 80 22.385 -43.763 -41.662 626 3HB ALA 80 3HB ALA 80 21.921 -42.444 -40.589 627 H ARG 81 H ARG 81 22.923 -39.838 -41.543 628 HA ARG 81 HA ARG 81 21.756 -39.949 -44.191 629 1HB ARG 81 2HB ARG 81 21.892 -37.680 -42.203 630 2HB ARG 81 1HB ARG 81 20.966 -37.673 -43.691 631 1HG ARG 81 2HG ARG 81 19.676 -39.618 -42.803 632 2HG ARG 81 1HG ARG 81 20.523 -39.395 -41.271 633 1HD ARG 81 2HD ARG 81 18.462 -38.257 -41.049 634 2HD ARG 81 1HD ARG 81 19.685 -37.012 -41.297 635 HE ARG 81 HE ARG 81 18.046 -37.994 -43.536 636 1HH1 ARG 81 1HH1 ARG 81 19.278 -35.352 -41.589 637 2HH1 ARG 81 2HH1 ARG 81 18.466 -34.126 -42.518 638 1HH2 ARG 81 1HH2 ARG 81 17.015 -36.395 -44.768 639 2HH2 ARG 81 2HH2 ARG 81 17.209 -34.714 -44.349 640 H THR 82 H THR 82 24.549 -38.732 -42.650 641 HA THR 82 HA THR 82 25.244 -36.935 -44.825 642 HB THR 82 HB THR 82 26.964 -37.550 -42.423 643 HG1 THR 82 1HG THR 82 24.716 -36.930 -41.868 644 1HG2 THR 82 1HG2 THR 82 26.625 -35.061 -44.108 645 2HG2 THR 82 2HG2 THR 82 27.959 -36.206 -44.229 646 3HG2 THR 82 3HG2 THR 82 27.746 -35.260 -42.757 647 H ARG 83 H ARG 83 25.364 -40.124 -44.522 648 HA ARG 83 HA ARG 83 26.410 -41.801 -45.572 649 1HB ARG 83 2HB ARG 83 26.425 -40.665 -47.607 650 2HB ARG 83 1HB ARG 83 27.577 -39.462 -47.036 651 1HG ARG 83 2HG ARG 83 29.292 -41.237 -46.944 652 2HG ARG 83 1HG ARG 83 28.129 -42.337 -47.678 653 1HD ARG 83 2HD ARG 83 28.764 -39.733 -48.998 654 2HD ARG 83 1HD ARG 83 29.867 -41.096 -49.169 655 HE ARG 83 HE ARG 83 27.076 -41.636 -49.786 656 1HH1 ARG 83 1HH1 ARG 83 30.226 -40.701 -50.989 657 2HH1 ARG 83 2HH1 ARG 83 29.942 -41.311 -52.591 658 1HH2 ARG 83 1HH2 ARG 83 26.676 -42.411 -51.904 659 2HH2 ARG 83 2HH2 ARG 83 27.916 -42.284 -53.116 660 H HIS 84 H HIS 84 28.005 -43.157 -45.100 661 HA HIS 84 HA HIS 84 30.236 -42.288 -43.460 662 1HB HIS 84 2HB HIS 84 29.543 -45.021 -44.588 663 2HB HIS 84 1HB HIS 84 30.835 -44.700 -43.439 664 HD1 HIS 84 1HD HIS 84 27.070 -44.773 -43.694 665 HD2 HIS 84 2HD HIS 84 30.052 -44.576 -40.798 666 HE1 HIS 84 1HE HIS 84 25.905 -45.126 -41.497 667 HE2 HIS 84 2HE HIS 84 27.757 -45.244 -39.793 668 HA PRO 85 HA PRO 85 32.367 -41.516 -47.327 669 1HB PRO 85 2HB PRO 85 34.546 -40.305 -46.299 670 2HB PRO 85 1HB PRO 85 32.972 -39.503 -46.380 671 1HG PRO 85 2HG PRO 85 34.292 -40.859 -44.060 672 2HG PRO 85 1HG PRO 85 33.406 -39.323 -44.100 673 1HD PRO 85 2HD PRO 85 32.306 -41.660 -43.236 674 2HD PRO 85 1HD PRO 85 31.361 -40.358 -43.986 675 H ALA 86 H ALA 86 34.571 -41.886 -48.214 676 HA ALA 86 HA ALA 86 35.556 -44.502 -47.396 677 1HB ALA 86 1HB ALA 86 36.320 -42.818 -49.785 678 2HB ALA 86 2HB ALA 86 35.080 -44.073 -49.774 679 3HB ALA 86 3HB ALA 86 36.769 -44.500 -49.498 680 H GLU 87 H GLU 87 38.011 -44.782 -47.578 681 HA GLU 87 HA GLU 87 39.247 -43.474 -45.490 682 1HB GLU 87 2HB GLU 87 40.582 -44.800 -47.859 683 2HB GLU 87 1HB GLU 87 41.375 -44.397 -46.345 684 1HG GLU 87 2HG GLU 87 40.901 -46.693 -46.246 685 2HG GLU 87 1HG GLU 87 39.717 -45.909 -45.205 686 H SER 88 H SER 88 39.825 -42.893 -48.960 687 HA SER 88 HA SER 88 41.638 -40.778 -48.600 688 1HB SER 88 2HB SER 88 39.818 -41.231 -50.975 689 2HB SER 88 1HB SER 88 41.356 -40.365 -50.964 690 HG SER 88 HG SER 88 41.056 -42.855 -51.534 691 H CYS 89 H CYS 89 38.132 -40.839 -48.821 692 HA CYS 89 HA CYS 89 37.854 -38.010 -49.131 693 1HB CYS 89 2HB CYS 89 35.755 -39.984 -48.219 694 2HB CYS 89 1HB CYS 89 35.482 -38.393 -48.925 695 HG CYS 89 HG CYS 89 34.911 -40.702 -50.634 696 H LEU 90 H LEU 90 38.004 -40.231 -46.490 697 HA LEU 90 HA LEU 90 36.861 -38.611 -44.486 698 1HB LEU 90 2HB LEU 90 37.136 -41.034 -44.260 699 2HB LEU 90 1HB LEU 90 38.878 -40.842 -44.253 700 HG LEU 90 HG LEU 90 38.701 -39.563 -42.141 701 1HD1 LEU 90 1HD1 LEU 90 35.796 -40.361 -42.269 702 2HD1 LEU 90 2HD1 LEU 90 36.431 -38.720 -42.398 703 3HD1 LEU 90 3HD1 LEU 90 36.601 -39.616 -40.889 704 1HD2 LEU 90 1HD2 LEU 90 39.167 -41.964 -42.129 705 2HD2 LEU 90 2HD2 LEU 90 37.436 -42.298 -42.065 706 3HD2 LEU 90 3HD2 LEU 90 38.226 -41.478 -40.719 707 H GLU 91 H GLU 91 40.163 -38.987 -45.660 708 HA GLU 91 HA GLU 91 41.458 -37.511 -43.663 709 1HB GLU 91 2HB GLU 91 42.578 -38.932 -45.406 710 2HB GLU 91 1HB GLU 91 42.267 -37.653 -46.573 711 1HG GLU 91 2HG GLU 91 43.622 -36.111 -45.254 712 2HG GLU 91 1HG GLU 91 43.924 -37.382 -44.073 713 H HIS 92 H HIS 92 40.092 -36.482 -46.767 714 HA HIS 92 HA HIS 92 39.478 -34.465 -47.606 715 1HB HIS 92 2HB HIS 92 39.152 -33.991 -44.663 716 2HB HIS 92 1HB HIS 92 38.932 -32.666 -45.793 717 HD1 HIS 92 1HD HIS 92 36.944 -34.896 -43.997 718 HD2 HIS 92 2HD HIS 92 37.022 -33.755 -48.001 719 HE1 HIS 92 1HE HIS 92 34.654 -35.411 -44.896 720 HE2 HIS 92 2HE HIS 92 34.673 -34.557 -47.272 721 H HIS 93 H HIS 93 39.969 -31.925 -47.251 722 HA HIS 93 HA HIS 93 41.474 -30.240 -47.402 723 1HB HIS 93 2HB HIS 93 41.841 -30.804 -44.994 724 2HB HIS 93 1HB HIS 93 43.159 -31.864 -45.480 725 HD1 HIS 93 1HD HIS 93 45.368 -30.748 -46.249 726 HD2 HIS 93 2HD HIS 93 42.410 -28.062 -45.084 727 HE1 HIS 93 1HE HIS 93 46.528 -28.533 -45.982 728 HE2 HIS 93 2HE HIS 93 44.762 -26.983 -45.069 729 H HIS 94 H HIS 94 41.972 -30.548 -49.556 730 HA HIS 94 HA HIS 94 44.677 -31.514 -50.043 731 1HB HIS 94 2HB HIS 94 42.233 -32.663 -51.371 732 2HB HIS 94 1HB HIS 94 43.795 -32.678 -52.180 733 HD1 HIS 94 1HD HIS 94 41.764 -34.530 -49.778 734 HD2 HIS 94 2HD HIS 94 45.811 -34.191 -50.700 735 HE1 HIS 94 1HE HIS 94 42.878 -36.518 -48.705 736 HE2 HIS 94 2HE HIS 94 45.334 -36.273 -49.234 737 H HIS 95 H HIS 95 41.879 -30.563 -52.033 738 HA HIS 95 HA HIS 95 41.574 -28.943 -53.589 739 1HB HIS 95 2HB HIS 95 42.284 -27.374 -51.825 740 2HB HIS 95 1HB HIS 95 43.964 -27.607 -52.289 741 HD1 HIS 95 1HD HIS 95 44.737 -26.522 -54.538 742 HD2 HIS 95 2HD HIS 95 40.836 -25.609 -53.409 743 HE1 HIS 95 1HE HIS 95 44.043 -24.592 -55.990 744 HE2 HIS 95 2HE HIS 95 41.639 -24.146 -55.389 745 H HIS 96 H HIS 96 42.073 -28.880 -55.721 746 HA HIS 96 HA HIS 96 44.812 -29.686 -56.455 747 1HB HIS 96 2HB HIS 96 44.022 -31.074 -58.233 748 2HB HIS 96 1HB HIS 96 43.157 -31.551 -56.780 749 HD1 HIS 96 1HD HIS 96 42.633 -29.739 -60.057 750 HD2 HIS 96 2HD HIS 96 40.410 -31.332 -56.923 751 HE1 HIS 96 1HE HIS 96 40.244 -29.697 -60.834 752 HE2 HIS 96 2HE HIS 96 38.944 -30.844 -59.001 753 H HIS 97 H HIS 97 45.331 -29.178 -58.748 754 HA HIS 97 HA HIS 97 43.859 -26.881 -59.814 755 1HB HIS 97 2HB HIS 97 45.827 -26.050 -58.492 756 2HB HIS 97 1HB HIS 97 46.878 -26.961 -59.568 757 HD1 HIS 97 1HD HIS 97 47.680 -25.771 -61.599 758 HD2 HIS 97 2HD HIS 97 44.359 -23.926 -59.907 759 HE1 HIS 97 1HE HIS 97 47.383 -23.615 -62.857 760 HE2 HIS 97 2HE HIS 97 45.506 -22.426 -61.676 Start of MODEL 8 1 1H MET 1 1HT MET 1 2.972 21.227 -9.658 2 2H MET 1 2HT MET 1 3.361 20.769 -8.073 3 3H MET 1 3HT MET 1 1.817 21.370 -8.423 4 HA MET 1 HA MET 1 1.290 19.469 -9.737 5 1HB MET 1 2HB MET 1 4.110 18.615 -9.056 6 2HB MET 1 1HB MET 1 2.907 17.545 -9.760 7 1HG MET 1 2HG MET 1 2.777 18.958 -11.732 8 2HG MET 1 1HG MET 1 3.949 20.069 -11.023 9 1HE MET 1 1HE MET 1 5.413 19.920 -13.215 10 2HE MET 1 2HE MET 1 4.261 18.799 -13.936 11 3HE MET 1 3HE MET 1 5.981 18.407 -13.921 12 HA PRO 2 HA PRO 2 -0.361 17.935 -6.006 13 1HB PRO 2 2HB PRO 2 -0.631 15.259 -7.220 14 2HB PRO 2 1HB PRO 2 -1.880 16.358 -6.627 15 1HG PRO 2 2HG PRO 2 -1.516 15.951 -9.250 16 2HG PRO 2 1HG PRO 2 -1.973 17.541 -8.612 17 1HD PRO 2 2HD PRO 2 0.704 16.557 -9.516 18 2HD PRO 2 1HD PRO 2 -0.065 18.136 -9.781 19 H THR 3 H THR 3 2.418 16.504 -7.315 20 HA THR 3 HA THR 3 4.192 15.409 -6.438 21 HB THR 3 HB THR 3 2.940 15.679 -3.746 22 HG1 THR 3 1HG THR 3 3.313 17.673 -5.277 23 1HG2 THR 3 1HG2 THR 3 5.802 15.526 -4.663 24 2HG2 THR 3 2HG2 THR 3 4.916 14.274 -3.793 25 3HG2 THR 3 3HG2 THR 3 5.292 15.802 -2.996 26 H LYS 4 H LYS 4 4.798 13.283 -5.929 27 HA LYS 4 HA LYS 4 2.601 11.426 -5.383 28 1HB LYS 4 2HB LYS 4 2.864 11.724 -7.860 29 2HB LYS 4 1HB LYS 4 4.492 11.085 -7.712 30 1HG LYS 4 2HG LYS 4 2.847 9.422 -8.485 31 2HG LYS 4 1HG LYS 4 3.658 8.960 -6.988 32 1HD LYS 4 2HD LYS 4 1.749 9.525 -5.684 33 2HD LYS 4 1HD LYS 4 0.966 10.310 -7.056 34 1HE LYS 4 2HE LYS 4 1.658 7.379 -7.032 35 2HE LYS 4 1HE LYS 4 0.114 8.001 -6.445 36 1HZ LYS 4 1HZ LYS 4 1.174 8.459 -9.189 37 2HZ LYS 4 2HZ LYS 4 -0.351 8.901 -8.600 38 3HZ LYS 4 3HZ LYS 4 0.041 7.261 -8.779 39 H THR 5 H THR 5 3.358 10.712 -3.480 40 HA THR 5 HA THR 5 5.895 9.215 -3.579 41 HB THR 5 HB THR 5 5.020 10.665 -1.082 42 HG1 THR 5 1HG THR 5 5.732 11.871 -3.286 43 1HG2 THR 5 1HG2 THR 5 7.399 10.467 -0.500 44 2HG2 THR 5 2HG2 THR 5 7.706 9.655 -2.034 45 3HG2 THR 5 3HG2 THR 5 6.685 8.886 -0.819 46 H TYR 6 H TYR 6 5.972 7.549 -1.803 47 HA TYR 6 HA TYR 6 3.415 6.668 -0.783 48 1HB TYR 6 2HB TYR 6 3.880 4.349 -1.715 49 2HB TYR 6 1HB TYR 6 3.340 5.547 -2.882 50 HD1 TYR 6 1HD TYR 6 6.568 4.286 -1.450 51 HD2 TYR 6 2HD TYR 6 4.439 5.550 -4.909 52 HE1 TYR 6 1HE TYR 6 8.534 3.785 -2.831 53 HE2 TYR 6 2HE TYR 6 6.403 5.049 -6.305 54 HH TYR 6 HH TYR 6 8.836 4.822 -6.060 55 H SER 7 H SER 7 3.861 4.468 0.449 56 HA SER 7 HA SER 7 6.290 4.873 2.035 57 1HB SER 7 2HB SER 7 4.020 2.951 2.588 58 2HB SER 7 1HB SER 7 5.252 3.511 3.717 59 HG SER 7 HG SER 7 3.106 4.967 2.581 60 H GLU 8 H GLU 8 7.964 3.483 2.013 61 HA GLU 8 HA GLU 8 8.099 1.467 0.004 62 1HB GLU 8 2HB GLU 8 9.980 2.105 2.281 63 2HB GLU 8 1HB GLU 8 10.325 0.948 1.000 64 1HG GLU 8 2HG GLU 8 10.035 2.790 -0.646 65 2HG GLU 8 1HG GLU 8 9.893 3.909 0.709 66 H GLU 9 H GLU 9 7.299 1.507 3.370 67 HA GLU 9 HA GLU 9 7.473 -1.213 4.012 68 1HB GLU 9 2HB GLU 9 6.996 0.645 5.599 69 2HB GLU 9 1HB GLU 9 5.391 0.789 4.914 70 1HG GLU 9 2HG GLU 9 5.370 -0.422 7.025 71 2HG GLU 9 1HG GLU 9 4.823 -1.430 5.688 72 H PHE 10 H PHE 10 5.150 0.596 2.164 73 HA PHE 10 HA PHE 10 3.075 -1.295 2.012 74 1HB PHE 10 2HB PHE 10 2.841 1.071 1.299 75 2HB PHE 10 1HB PHE 10 3.901 0.748 -0.068 76 HD1 PHE 10 1HD PHE 10 0.707 -0.396 1.463 77 HD2 PHE 10 2HD PHE 10 2.989 0.136 -2.089 78 HE1 PHE 10 1HE PHE 10 -1.245 -1.032 0.113 79 HE2 PHE 10 2HE PHE 10 1.038 -0.499 -3.441 80 HZ PHE 10 HZ PHE 10 -1.081 -1.082 -2.338 81 H LYS 11 H LYS 11 5.956 -0.798 0.000 82 HA LYS 11 HA LYS 11 5.428 -2.854 -1.873 83 1HB LYS 11 2HB LYS 11 8.115 -1.821 -0.937 84 2HB LYS 11 1HB LYS 11 7.819 -2.748 -2.400 85 1HG LYS 11 2HG LYS 11 6.465 -0.907 -3.285 86 2HG LYS 11 1HG LYS 11 6.799 0.025 -1.821 87 1HD LYS 11 2HD LYS 11 9.199 -0.073 -2.314 88 2HD LYS 11 1HD LYS 11 8.858 -0.991 -3.780 89 1HE LYS 11 2HE LYS 11 7.673 0.869 -4.729 90 2HE LYS 11 1HE LYS 11 7.807 1.773 -3.220 91 1HZ LYS 11 1HZ LYS 11 10.265 1.685 -3.531 92 2HZ LYS 11 2HZ LYS 11 9.442 2.594 -4.702 93 3HZ LYS 11 3HZ LYS 11 10.005 1.039 -5.081 94 H ARG 12 H ARG 12 7.081 -2.756 1.212 95 HA ARG 12 HA ARG 12 8.159 -5.333 1.281 96 1HB ARG 12 2HB ARG 12 8.706 -3.499 2.848 97 2HB ARG 12 1HB ARG 12 7.111 -3.645 3.562 98 1HG ARG 12 2HG ARG 12 7.665 -5.894 4.341 99 2HG ARG 12 1HG ARG 12 9.275 -5.739 3.622 100 1HD ARG 12 2HD ARG 12 9.719 -3.794 5.028 101 2HD ARG 12 1HD ARG 12 8.113 -3.934 5.736 102 HE ARG 12 HE ARG 12 9.811 -6.266 6.029 103 1HH1 ARG 12 1HH1 ARG 12 8.579 -3.289 7.422 104 2HH1 ARG 12 2HH1 ARG 12 9.072 -3.709 9.036 105 1HH2 ARG 12 1HH2 ARG 12 10.400 -6.830 8.160 106 2HH2 ARG 12 2HH2 ARG 12 10.095 -5.708 9.459 107 H ASP 13 H ASP 13 4.975 -4.121 2.249 108 HA ASP 13 HA ASP 13 4.006 -6.633 3.180 109 1HB ASP 13 2HB ASP 13 3.033 -4.447 3.837 110 2HB ASP 13 1HB ASP 13 2.438 -4.239 2.196 111 H ALA 14 H ALA 14 3.980 -4.968 0.094 112 HA ALA 14 HA ALA 14 2.226 -6.660 -1.314 113 1HB ALA 14 1HB ALA 14 2.897 -4.442 -2.120 114 2HB ALA 14 2HB ALA 14 3.205 -5.686 -3.331 115 3HB ALA 14 3HB ALA 14 4.537 -5.034 -2.377 116 H VAL 15 H VAL 15 5.714 -6.827 -0.744 117 HA VAL 15 HA VAL 15 6.233 -9.008 -2.455 118 HB VAL 15 HB VAL 15 7.697 -8.289 0.097 119 1HG1 VAL 15 1HG1 VAL 15 8.208 -10.547 -0.669 120 2HG1 VAL 15 2HG1 VAL 15 9.587 -9.471 -0.893 121 3HG1 VAL 15 3HG1 VAL 15 8.589 -9.923 -2.274 122 1HG2 VAL 15 1HG2 VAL 15 8.156 -7.414 -2.751 123 2HG2 VAL 15 2HG2 VAL 15 9.271 -7.122 -1.415 124 3HG2 VAL 15 3HG2 VAL 15 7.662 -6.400 -1.397 125 H ALA 16 H ALA 16 5.220 -8.843 0.936 126 HA ALA 16 HA ALA 16 5.296 -11.639 1.409 127 1HB ALA 16 1HB ALA 16 3.977 -11.156 3.399 128 2HB ALA 16 2HB ALA 16 3.611 -9.544 2.783 129 3HB ALA 16 3HB ALA 16 5.266 -9.968 3.216 130 H LEU 17 H LEU 17 2.907 -9.465 0.051 131 HA LEU 17 HA LEU 17 0.678 -11.179 0.099 132 1HB LEU 17 2HB LEU 17 1.432 -8.937 -1.764 133 2HB LEU 17 1HB LEU 17 -0.096 -9.787 -1.873 134 HG LEU 17 HG LEU 17 0.835 -8.261 0.560 135 1HD1 LEU 17 1HD1 LEU 17 -1.151 -7.485 -1.572 136 2HD1 LEU 17 2HD1 LEU 17 0.437 -6.764 -1.326 137 3HD1 LEU 17 3HD1 LEU 17 -0.810 -6.584 -0.095 138 1HD2 LEU 17 1HD2 LEU 17 -0.715 -10.072 1.077 139 2HD2 LEU 17 2HD2 LEU 17 -1.837 -9.474 -0.147 140 3HD2 LEU 17 3HD2 LEU 17 -1.491 -8.501 1.282 141 H TYR 18 H TYR 18 3.409 -10.955 -2.074 142 HA TYR 18 HA TYR 18 2.331 -12.504 -4.182 143 1HB TYR 18 2HB TYR 18 4.279 -11.018 -4.464 144 2HB TYR 18 1HB TYR 18 5.231 -12.075 -3.429 145 HD1 TYR 18 1HD TYR 18 3.224 -12.161 -6.575 146 HD2 TYR 18 2HD TYR 18 6.551 -13.710 -4.426 147 HE1 TYR 18 1HE TYR 18 3.904 -13.439 -8.562 148 HE2 TYR 18 2HE TYR 18 7.237 -14.995 -6.408 149 HH TYR 18 HH TYR 18 6.292 -15.897 -8.438 150 H GLU 19 H GLU 19 3.908 -13.355 -1.178 151 HA GLU 19 HA GLU 19 4.338 -16.097 -1.902 152 1HB GLU 19 2HB GLU 19 4.424 -14.641 0.729 153 2HB GLU 19 1HB GLU 19 4.651 -16.379 0.616 154 1HG GLU 19 2HG GLU 19 6.511 -15.853 -1.047 155 2HG GLU 19 1HG GLU 19 6.383 -14.191 -0.470 156 H ASN 20 H ASN 20 1.702 -14.270 -0.650 157 HA ASN 20 HA ASN 20 0.310 -16.631 0.340 158 1HB ASN 20 2HB ASN 20 -0.328 -13.682 0.380 159 2HB ASN 20 1HB ASN 20 -1.510 -14.896 0.846 160 1HD2 ASN 20 1HD2 ASN 20 1.483 -13.329 1.699 161 2HD2 ASN 20 2HD2 ASN 20 1.542 -13.912 3.326 162 H SER 21 H SER 21 0.938 -16.317 -2.499 163 HA SER 21 HA SER 21 -1.355 -15.405 -3.903 164 1HB SER 21 2HB SER 21 -0.143 -16.612 -5.832 165 2HB SER 21 1HB SER 21 0.630 -15.216 -5.087 166 HG SER 21 HG SER 21 2.211 -16.442 -4.477 167 H ASP 22 H ASP 22 -0.539 -18.412 -2.466 168 HA ASP 22 HA ASP 22 -2.088 -20.135 -4.081 169 1HB ASP 22 2HB ASP 22 -0.450 -20.939 -2.382 170 2HB ASP 22 1HB ASP 22 -1.551 -20.417 -1.111 171 H GLY 23 H GLY 23 -2.910 -17.790 -1.705 172 1HA GLY 23 2HA GLY 23 -5.732 -18.630 -1.879 173 2HA GLY 23 1HA GLY 23 -5.050 -17.769 -0.507 174 H ALA 24 H ALA 24 -3.694 -16.530 -3.287 175 HA ALA 24 HA ALA 24 -5.824 -14.662 -3.893 176 1HB ALA 24 1HB ALA 24 -3.263 -13.686 -2.628 177 2HB ALA 24 2HB ALA 24 -4.853 -13.672 -1.868 178 3HB ALA 24 3HB ALA 24 -4.545 -12.665 -3.284 179 H SER 25 H SER 25 -5.770 -14.571 -6.027 180 HA SER 25 HA SER 25 -3.604 -15.465 -7.592 181 1HB SER 25 2HB SER 25 -6.041 -15.393 -8.266 182 2HB SER 25 1HB SER 25 -5.852 -13.658 -8.507 183 HG SER 25 HG SER 25 -5.575 -14.853 -10.447 184 H LEU 26 H LEU 26 -2.119 -14.361 -8.874 185 HA LEU 26 HA LEU 26 -0.910 -12.094 -7.792 186 1HB LEU 26 2HB LEU 26 0.023 -13.868 -9.414 187 2HB LEU 26 1HB LEU 26 -0.681 -12.895 -10.688 188 HG LEU 26 HG LEU 26 1.320 -11.758 -8.740 189 1HD1 LEU 26 1HD1 LEU 26 2.362 -13.677 -9.796 190 2HD1 LEU 26 2HD1 LEU 26 3.030 -12.184 -10.456 191 3HD1 LEU 26 3HD1 LEU 26 1.851 -13.107 -11.386 192 1HD2 LEU 26 1HD2 LEU 26 1.712 -10.147 -10.534 193 2HD2 LEU 26 2HD2 LEU 26 0.021 -10.139 -10.030 194 3HD2 LEU 26 3HD2 LEU 26 0.494 -10.946 -11.525 195 H GLN 27 H GLN 27 -3.230 -12.441 -10.420 196 HA GLN 27 HA GLN 27 -3.336 -9.808 -11.344 197 1HB GLN 27 2HB GLN 27 -4.512 -11.971 -12.188 198 2HB GLN 27 1HB GLN 27 -5.778 -11.548 -11.052 199 1HG GLN 27 2HG GLN 27 -4.865 -9.896 -13.402 200 2HG GLN 27 1HG GLN 27 -6.344 -10.836 -13.298 201 1HE2 GLN 27 1HE2 GLN 27 -4.763 -7.908 -12.567 202 2HE2 GLN 27 2HE2 GLN 27 -6.112 -7.096 -11.855 203 H GLN 28 H GLN 28 -5.191 -11.415 -8.779 204 HA GLN 28 HA GLN 28 -6.763 -9.206 -8.062 205 1HB GLN 28 2HB GLN 28 -5.967 -11.692 -6.561 206 2HB GLN 28 1HB GLN 28 -7.063 -10.495 -5.889 207 1HG GLN 28 2HG GLN 28 -7.488 -12.049 -8.429 208 2HG GLN 28 1HG GLN 28 -8.285 -12.342 -6.882 209 1HE2 GLN 28 1HE2 GLN 28 -8.081 -10.263 -9.658 210 2HE2 GLN 28 2HE2 GLN 28 -9.523 -9.359 -9.344 211 H ILE 29 H ILE 29 -3.628 -10.308 -6.860 212 HA ILE 29 HA ILE 29 -3.387 -8.517 -4.710 213 HB ILE 29 HB ILE 29 -1.213 -9.688 -6.456 214 1HG1 ILE 29 2HG1 ILE 29 -2.590 -11.380 -5.313 215 2HG1 ILE 29 1HG1 ILE 29 -0.958 -11.337 -4.657 216 1HG2 ILE 29 1HG2 ILE 29 0.308 -9.191 -4.600 217 2HG2 ILE 29 2HG2 ILE 29 -1.007 -8.379 -3.747 218 3HG2 ILE 29 3HG2 ILE 29 -0.405 -7.727 -5.271 219 1HD1 ILE 29 1HD1 ILE 29 -2.604 -11.579 -2.893 220 2HD1 ILE 29 2HD1 ILE 29 -3.392 -10.086 -3.407 221 3HD1 ILE 29 3HD1 ILE 29 -1.755 -10.038 -2.752 222 H ALA 30 H ALA 30 -2.115 -8.242 -8.032 223 HA ALA 30 HA ALA 30 -1.097 -5.634 -7.709 224 1HB ALA 30 1HB ALA 30 -0.882 -5.610 -10.136 225 2HB ALA 30 2HB ALA 30 -1.926 -7.030 -10.248 226 3HB ALA 30 3HB ALA 30 -0.350 -7.150 -9.467 227 H ASN 31 H ASN 31 -4.207 -6.845 -8.821 228 HA ASN 31 HA ASN 31 -5.247 -4.429 -9.838 229 1HB ASN 31 2HB ASN 31 -6.091 -6.985 -9.864 230 2HB ASN 31 1HB ASN 31 -7.112 -6.366 -8.571 231 1HD2 ASN 31 1HD2 ASN 31 -7.850 -7.327 -11.203 232 2HD2 ASN 31 2HD2 ASN 31 -8.655 -6.016 -11.997 233 H ASP 32 H ASP 32 -5.349 -5.911 -6.639 234 HA ASP 32 HA ASP 32 -7.154 -4.075 -5.472 235 1HB ASP 32 2HB ASP 32 -6.632 -6.324 -4.533 236 2HB ASP 32 1HB ASP 32 -5.032 -5.735 -4.096 237 H LEU 33 H LEU 33 -3.630 -4.237 -5.584 238 HA LEU 33 HA LEU 33 -3.199 -1.955 -3.954 239 1HB LEU 33 2HB LEU 33 -1.507 -3.636 -5.743 240 2HB LEU 33 1HB LEU 33 -0.891 -2.081 -5.231 241 HG LEU 33 HG LEU 33 -1.054 -2.755 -2.891 242 1HD1 LEU 33 1HD1 LEU 33 -1.576 -5.065 -2.284 243 2HD1 LEU 33 2HD1 LEU 33 -2.002 -5.409 -3.962 244 3HD1 LEU 33 3HD1 LEU 33 -2.959 -4.260 -3.026 245 1HD2 LEU 33 1HD2 LEU 33 0.702 -4.459 -2.905 246 2HD2 LEU 33 2HD2 LEU 33 1.011 -3.192 -4.091 247 3HD2 LEU 33 3HD2 LEU 33 0.393 -4.758 -4.615 248 H GLY 34 H GLY 34 -3.721 -2.453 -7.356 249 1HA GLY 34 2HA GLY 34 -4.579 -0.808 -8.798 250 2HA GLY 34 1HA GLY 34 -4.023 0.432 -7.683 251 H ILE 35 H ILE 35 -2.005 -2.193 -8.824 252 HA ILE 35 HA ILE 35 -0.543 -0.317 -10.545 253 HB ILE 35 HB ILE 35 1.581 -1.379 -9.769 254 1HG1 ILE 35 2HG1 ILE 35 -0.171 -2.454 -7.549 255 2HG1 ILE 35 1HG1 ILE 35 0.584 -3.421 -8.813 256 1HG2 ILE 35 1HG2 ILE 35 0.929 0.820 -8.971 257 2HG2 ILE 35 2HG2 ILE 35 1.747 -0.085 -7.695 258 3HG2 ILE 35 3HG2 ILE 35 -0.009 0.082 -7.673 259 1HD1 ILE 35 1HD1 ILE 35 2.037 -1.826 -6.710 260 2HD1 ILE 35 2HD1 ILE 35 2.793 -2.792 -7.977 261 3HD1 ILE 35 3HD1 ILE 35 1.822 -3.576 -6.730 262 H ASN 36 H ASN 36 0.787 -1.377 -12.152 263 HA ASN 36 HA ASN 36 -0.428 -3.607 -13.380 264 1HB ASN 36 2HB ASN 36 0.962 -1.799 -14.502 265 2HB ASN 36 1HB ASN 36 2.385 -2.614 -13.866 266 1HD2 ASN 36 1HD2 ASN 36 -0.218 -2.741 -16.125 267 2HD2 ASN 36 2HD2 ASN 36 0.370 -4.077 -17.049 268 H ARG 37 H ARG 37 0.340 -5.722 -13.633 269 HA ARG 37 HA ARG 37 1.315 -6.944 -11.322 270 1HB ARG 37 2HB ARG 37 1.435 -8.961 -12.693 271 2HB ARG 37 1HB ARG 37 -0.069 -8.102 -12.928 272 1HG ARG 37 2HG ARG 37 0.828 -7.162 -15.018 273 2HG ARG 37 1HG ARG 37 2.296 -8.118 -14.786 274 1HD ARG 37 2HD ARG 37 0.986 -10.169 -14.848 275 2HD ARG 37 1HD ARG 37 -0.494 -9.232 -15.030 276 HE ARG 37 HE ARG 37 0.957 -8.421 -17.141 277 1HH1 ARG 37 1HH1 ARG 37 0.209 -11.599 -15.901 278 2HH1 ARG 37 2HH1 ARG 37 0.203 -12.362 -17.461 279 1HH2 ARG 37 1HH2 ARG 37 0.949 -9.409 -19.214 280 2HH2 ARG 37 2HH2 ARG 37 0.614 -11.115 -19.338 281 H VAL 38 H VAL 38 2.951 -5.730 -14.158 282 HA VAL 38 HA VAL 38 5.460 -7.002 -13.560 283 HB VAL 38 HB VAL 38 4.908 -4.611 -15.341 284 1HG1 VAL 38 1HG1 VAL 38 7.057 -5.145 -16.393 285 2HG1 VAL 38 2HG1 VAL 38 7.306 -6.446 -15.229 286 3HG1 VAL 38 3HG1 VAL 38 7.265 -4.770 -14.682 287 1HG2 VAL 38 1HG2 VAL 38 4.984 -6.242 -17.187 288 2HG2 VAL 38 2HG2 VAL 38 3.656 -6.563 -16.070 289 3HG2 VAL 38 3HG2 VAL 38 5.120 -7.545 -16.007 290 H THR 39 H THR 39 4.025 -3.816 -12.977 291 HA THR 39 HA THR 39 6.241 -2.581 -11.785 292 HB THR 39 HB THR 39 3.356 -2.128 -10.982 293 HG1 THR 39 1HG THR 39 4.760 -1.451 -13.342 294 1HG2 THR 39 1HG2 THR 39 5.742 -0.278 -11.105 295 2HG2 THR 39 2HG2 THR 39 5.040 -0.958 -9.638 296 3HG2 THR 39 3HG2 THR 39 4.110 0.174 -10.618 297 H LEU 40 H LEU 40 3.642 -4.559 -10.428 298 HA LEU 40 HA LEU 40 4.450 -4.547 -7.742 299 1HB LEU 40 2HB LEU 40 2.279 -5.388 -8.458 300 2HB LEU 40 1HB LEU 40 3.048 -6.677 -9.363 301 HG LEU 40 HG LEU 40 3.908 -7.598 -7.205 302 1HD1 LEU 40 1HD1 LEU 40 2.066 -5.544 -5.990 303 2HD1 LEU 40 2HD1 LEU 40 3.827 -5.539 -5.890 304 3HD1 LEU 40 3HD1 LEU 40 2.904 -6.831 -5.123 305 1HD2 LEU 40 1HD2 LEU 40 1.924 -8.522 -8.251 306 2HD2 LEU 40 2HD2 LEU 40 0.920 -7.304 -7.463 307 3HD2 LEU 40 3HD2 LEU 40 1.750 -8.523 -6.496 308 H LYS 41 H LYS 41 5.228 -6.751 -10.400 309 HA LYS 41 HA LYS 41 6.852 -8.563 -9.059 310 1HB LYS 41 2HB LYS 41 6.003 -8.711 -11.428 311 2HB LYS 41 1HB LYS 41 7.265 -7.576 -11.882 312 1HG LYS 41 2HG LYS 41 8.180 -9.637 -12.394 313 2HG LYS 41 1HG LYS 41 8.874 -9.258 -10.817 314 1HD LYS 41 2HD LYS 41 7.207 -10.656 -9.733 315 2HD LYS 41 1HD LYS 41 6.486 -11.017 -11.300 316 1HE LYS 41 2HE LYS 41 9.302 -11.697 -10.458 317 2HE LYS 41 1HE LYS 41 7.955 -12.832 -10.539 318 1HZ LYS 41 1HZ LYS 41 9.478 -12.860 -12.497 319 2HZ LYS 41 2HZ LYS 41 8.942 -11.299 -12.888 320 3HZ LYS 41 3HZ LYS 41 7.847 -12.597 -12.883 321 H ASN 42 H ASN 42 7.733 -5.596 -10.762 322 HA ASN 42 HA ASN 42 10.477 -5.607 -10.355 323 1HB ASN 42 2HB ASN 42 8.496 -3.369 -10.684 324 2HB ASN 42 1HB ASN 42 10.210 -3.039 -10.458 325 1HD2 ASN 42 1HD2 ASN 42 10.246 -2.090 -12.527 326 2HD2 ASN 42 2HD2 ASN 42 10.265 -3.056 -13.958 327 H TRP 43 H TRP 43 7.942 -4.291 -8.248 328 HA TRP 43 HA TRP 43 9.601 -3.245 -6.248 329 1HB TRP 43 2HB TRP 43 6.795 -4.338 -6.202 330 2HB TRP 43 1HB TRP 43 7.569 -3.761 -4.733 331 HD1 TRP 43 HD TRP 43 8.728 -1.555 -7.407 332 HE1 TRP 43 1HE TRP 43 7.349 0.621 -7.467 333 HE3 TRP 43 3HE TRP 43 4.815 -2.993 -4.453 334 HZ2 TRP 43 2HZ TRP 43 4.911 1.595 -6.397 335 HZ3 TRP 43 3HZ TRP 43 3.007 -1.390 -4.018 336 HH2 TRP 43 HH TRP 43 3.053 0.856 -4.973 337 H ILE 44 H ILE 44 8.226 -6.461 -6.683 338 HA ILE 44 HA ILE 44 9.107 -7.589 -4.271 339 HB ILE 44 HB ILE 44 8.606 -8.961 -6.915 340 1HG1 ILE 44 2HG1 ILE 44 6.745 -8.610 -4.556 341 2HG1 ILE 44 1HG1 ILE 44 6.700 -7.609 -6.004 342 1HG2 ILE 44 1HG2 ILE 44 8.228 -10.976 -5.563 343 2HG2 ILE 44 2HG2 ILE 44 8.704 -10.085 -4.118 344 3HG2 ILE 44 3HG2 ILE 44 9.880 -10.377 -5.400 345 1HD1 ILE 44 1HD1 ILE 44 4.995 -9.336 -6.057 346 2HD1 ILE 44 2HD1 ILE 44 6.234 -10.579 -5.890 347 3HD1 ILE 44 3HD1 ILE 44 6.179 -9.578 -7.341 348 H ILE 45 H ILE 45 10.583 -7.642 -7.513 349 HA ILE 45 HA ILE 45 12.769 -9.279 -6.782 350 HB ILE 45 HB ILE 45 12.584 -7.293 -9.054 351 1HG1 ILE 45 2HG1 ILE 45 12.031 -10.270 -9.001 352 2HG1 ILE 45 1HG1 ILE 45 10.801 -9.015 -9.071 353 1HG2 ILE 45 1HG2 ILE 45 14.883 -7.895 -8.637 354 2HG2 ILE 45 2HG2 ILE 45 14.325 -8.702 -10.104 355 3HG2 ILE 45 3HG2 ILE 45 14.462 -9.606 -8.596 356 1HD1 ILE 45 1HD1 ILE 45 11.205 -10.010 -11.257 357 2HD1 ILE 45 2HD1 ILE 45 12.898 -9.524 -11.168 358 3HD1 ILE 45 3HD1 ILE 45 11.631 -8.299 -11.239 359 H LYS 46 H LYS 46 12.322 -5.788 -6.781 360 HA LYS 46 HA LYS 46 15.074 -5.161 -6.421 361 1HB LYS 46 2HB LYS 46 13.463 -3.587 -7.418 362 2HB LYS 46 1HB LYS 46 12.633 -3.466 -5.875 363 1HG LYS 46 2HG LYS 46 14.572 -2.445 -4.866 364 2HG LYS 46 1HG LYS 46 15.496 -2.670 -6.354 365 1HD LYS 46 2HD LYS 46 13.961 -1.187 -7.539 366 2HD LYS 46 1HD LYS 46 13.012 -0.979 -6.067 367 1HE LYS 46 2HE LYS 46 14.523 0.913 -6.478 368 2HE LYS 46 1HE LYS 46 14.888 0.082 -4.968 369 1HZ LYS 46 1HZ LYS 46 16.339 -0.457 -7.501 370 2HZ LYS 46 2HZ LYS 46 16.769 -0.949 -5.933 371 3HZ LYS 46 3HZ LYS 46 16.852 0.688 -6.363 372 H TYR 47 H TYR 47 12.296 -5.229 -4.174 373 HA TYR 47 HA TYR 47 14.065 -4.596 -1.961 374 1HB TYR 47 2HB TYR 47 11.090 -5.029 -2.150 375 2HB TYR 47 1HB TYR 47 11.912 -4.779 -0.616 376 HD1 TYR 47 1HD TYR 47 11.776 -2.632 0.217 377 HD2 TYR 47 2HD TYR 47 11.904 -3.170 -4.004 378 HE1 TYR 47 1HE TYR 47 11.619 -0.199 -0.097 379 HE2 TYR 47 2HE TYR 47 11.766 -0.737 -4.323 380 HH TYR 47 HH TYR 47 12.082 1.495 -1.689 381 H GLY 48 H GLY 48 12.158 -7.344 -3.096 382 1HA GLY 48 2HA GLY 48 13.478 -9.011 -1.051 383 2HA GLY 48 1HA GLY 48 11.985 -9.428 -1.887 384 H SER 49 H SER 49 15.407 -8.762 -2.465 385 HA SER 49 HA SER 49 15.572 -9.589 -5.102 386 1HB SER 49 2HB SER 49 17.723 -9.751 -2.979 387 2HB SER 49 1HB SER 49 17.984 -9.734 -4.725 388 HG SER 49 HG SER 49 16.488 -7.659 -4.248 389 H ASN 50 H ASN 50 15.434 -11.503 -2.220 390 HA ASN 50 HA ASN 50 14.952 -13.698 -1.924 391 1HB ASN 50 2HB ASN 50 13.526 -13.665 -3.860 392 2HB ASN 50 1HB ASN 50 14.910 -13.756 -4.944 393 1HD2 ASN 50 1HD2 ASN 50 12.871 -15.512 -2.745 394 2HD2 ASN 50 2HD2 ASN 50 13.396 -17.092 -3.205 395 H HIS 51 H HIS 51 17.228 -13.477 -4.664 396 HA HIS 51 HA HIS 51 18.657 -15.789 -3.718 397 1HB HIS 51 2HB HIS 51 19.312 -13.851 -5.943 398 2HB HIS 51 1HB HIS 51 20.188 -15.343 -5.615 399 HD1 HIS 51 1HD HIS 51 18.862 -17.598 -6.026 400 HD2 HIS 51 2HD HIS 51 16.994 -14.145 -7.403 401 HE1 HIS 51 1HE HIS 51 17.053 -18.380 -7.588 402 HE2 HIS 51 2HE HIS 51 16.117 -16.266 -8.592 403 H ASN 52 H ASN 52 19.260 -12.304 -3.866 404 HA ASN 52 HA ASN 52 21.740 -12.550 -2.398 405 1HB ASN 52 2HB ASN 52 21.223 -10.740 -4.120 406 2HB ASN 52 1HB ASN 52 20.174 -10.014 -2.909 407 1HD2 ASN 52 1HD2 ASN 52 21.092 -9.082 -1.071 408 2HD2 ASN 52 2HD2 ASN 52 22.773 -8.674 -0.999 409 H VAL 53 H VAL 53 20.358 -13.854 -0.780 410 HA VAL 53 HA VAL 53 18.817 -12.274 1.072 411 HB VAL 53 HB VAL 53 18.129 -14.554 0.674 412 1HG1 VAL 53 1HG1 VAL 53 20.776 -15.416 1.821 413 2HG1 VAL 53 2HG1 VAL 53 20.278 -15.558 0.136 414 3HG1 VAL 53 3HG1 VAL 53 19.445 -16.489 1.381 415 1HG2 VAL 53 1HG2 VAL 53 17.979 -15.369 2.986 416 2HG2 VAL 53 2HG2 VAL 53 17.630 -13.646 2.853 417 3HG2 VAL 53 3HG2 VAL 53 19.196 -14.185 3.460 418 H GLN 54 H GLN 54 21.878 -14.057 1.213 419 HA GLN 54 HA GLN 54 23.784 -13.770 2.423 420 1HB GLN 54 2HB GLN 54 23.470 -11.429 1.448 421 2HB GLN 54 1HB GLN 54 22.815 -10.967 3.012 422 1HG GLN 54 2HG GLN 54 25.169 -10.358 2.782 423 2HG GLN 54 1HG GLN 54 24.909 -11.517 4.088 424 1HE2 GLN 54 1HE2 GLN 54 25.745 -13.579 3.914 425 2HE2 GLN 54 2HE2 GLN 54 26.896 -14.020 2.696 426 H GLY 55 H GLY 55 21.206 -14.588 3.714 427 1HA GLY 55 2HA GLY 55 21.459 -13.612 6.449 428 2HA GLY 55 1HA GLY 55 20.212 -14.688 5.838 429 H THR 56 H THR 56 20.407 -16.823 6.164 430 HA THR 56 HA THR 56 22.980 -17.963 6.859 431 HB THR 56 HB THR 56 21.766 -19.206 8.800 432 HG1 THR 56 1HG THR 56 20.048 -17.042 8.272 433 1HG2 THR 56 1HG2 THR 56 23.672 -17.731 9.139 434 2HG2 THR 56 2HG2 THR 56 22.469 -17.486 10.406 435 3HG2 THR 56 3HG2 THR 56 22.614 -16.323 9.088 436 H THR 57 H THR 57 22.983 -19.284 5.146 437 HA THR 57 HA THR 57 20.915 -20.804 4.102 438 HB THR 57 HB THR 57 22.964 -20.613 2.877 439 HG1 THR 57 1HG THR 57 21.759 -22.846 3.083 440 1HG2 THR 57 1HG2 THR 57 24.314 -22.103 5.124 441 2HG2 THR 57 2HG2 THR 57 24.518 -20.393 4.742 442 3HG2 THR 57 3HG2 THR 57 25.071 -21.624 3.606 443 HA PRO 58 HA PRO 58 20.112 -23.300 7.728 444 1HB PRO 58 2HB PRO 58 18.193 -24.648 5.943 445 2HB PRO 58 1HB PRO 58 17.913 -23.803 7.468 446 1HG PRO 58 2HG PRO 58 17.149 -22.746 5.128 447 2HG PRO 58 1HG PRO 58 17.760 -21.735 6.450 448 1HD PRO 58 2HD PRO 58 19.163 -22.676 3.979 449 2HD PRO 58 1HD PRO 58 19.210 -21.084 4.764 450 H SER 59 H SER 59 21.802 -24.670 8.038 451 HA SER 59 HA SER 59 22.628 -26.677 6.222 452 1HB SER 59 2HB SER 59 24.109 -25.744 7.956 453 2HB SER 59 1HB SER 59 23.098 -26.458 9.208 454 HG SER 59 HG SER 59 24.605 -27.847 7.234 455 H ALA 60 H ALA 60 20.161 -26.535 8.635 456 HA ALA 60 HA ALA 60 19.738 -29.329 8.958 457 1HB ALA 60 1HB ALA 60 18.950 -27.684 10.607 458 2HB ALA 60 2HB ALA 60 17.630 -28.690 10.009 459 3HB ALA 60 3HB ALA 60 17.822 -27.042 9.415 460 H ALA 61 H ALA 61 19.007 -27.095 6.480 461 HA ALA 61 HA ALA 61 16.702 -28.570 5.510 462 1HB ALA 61 1HB ALA 61 16.531 -26.842 3.804 463 2HB ALA 61 2HB ALA 61 18.066 -26.151 4.330 464 3HB ALA 61 3HB ALA 61 16.669 -26.123 5.407 465 H VAL 62 H VAL 62 19.890 -29.115 5.365 466 HA VAL 62 HA VAL 62 20.292 -29.665 2.603 467 HB VAL 62 HB VAL 62 21.717 -30.775 5.025 468 1HG1 VAL 62 1HG1 VAL 62 23.516 -31.411 3.478 469 2HG1 VAL 62 2HG1 VAL 62 22.509 -30.927 2.114 470 3HG1 VAL 62 3HG1 VAL 62 22.022 -32.283 3.131 471 1HG2 VAL 62 1HG2 VAL 62 21.936 -28.373 4.796 472 2HG2 VAL 62 2HG2 VAL 62 22.433 -28.560 3.114 473 3HG2 VAL 62 3HG2 VAL 62 23.465 -29.165 4.410 474 H SER 63 H SER 63 18.973 -31.451 5.288 475 HA SER 63 HA SER 63 18.830 -34.002 4.121 476 1HB SER 63 2HB SER 63 16.775 -32.841 6.010 477 2HB SER 63 1HB SER 63 17.299 -34.521 5.870 478 HG SER 63 HG SER 63 18.912 -34.114 7.155 479 H GLU 64 H GLU 64 16.691 -31.202 4.012 480 HA GLU 64 HA GLU 64 14.641 -32.480 2.483 481 1HB GLU 64 2HB GLU 64 14.147 -30.557 3.916 482 2HB GLU 64 1HB GLU 64 15.227 -29.547 2.968 483 1HG GLU 64 2HG GLU 64 13.750 -29.919 1.002 484 2HG GLU 64 1HG GLU 64 12.628 -30.771 2.063 485 H ALA 65 H ALA 65 17.624 -30.932 1.754 486 HA ALA 65 HA ALA 65 17.171 -30.078 -0.878 487 1HB ALA 65 1HB ALA 65 19.742 -31.108 0.321 488 2HB ALA 65 2HB ALA 65 19.157 -29.446 0.401 489 3HB ALA 65 3HB ALA 65 19.594 -30.153 -1.156 490 H GLU 66 H GLU 66 17.887 -33.225 0.464 491 HA GLU 66 HA GLU 66 18.368 -34.596 -1.962 492 1HB GLU 66 2HB GLU 66 18.920 -35.542 0.235 493 2HB GLU 66 1HB GLU 66 17.218 -35.610 0.646 494 1HG GLU 66 2HG GLU 66 18.003 -37.796 0.048 495 2HG GLU 66 1HG GLU 66 16.852 -37.224 -1.152 496 H GLN 67 H GLN 67 15.452 -33.858 -0.144 497 HA GLN 67 HA GLN 67 13.660 -35.265 -1.861 498 1HB GLN 67 2HB GLN 67 12.993 -32.872 -0.143 499 2HB GLN 67 1HB GLN 67 11.889 -34.107 -0.722 500 1HG GLN 67 2HG GLN 67 14.028 -34.389 1.369 501 2HG GLN 67 1HG GLN 67 12.282 -34.472 1.595 502 1HE2 GLN 67 1HE2 GLN 67 15.127 -36.159 0.681 503 2HE2 GLN 67 2HE2 GLN 67 14.410 -37.715 0.510 504 H ILE 68 H ILE 68 14.616 -31.884 -1.540 505 HA ILE 68 HA ILE 68 13.105 -30.790 -3.624 506 HB ILE 68 HB ILE 68 15.744 -29.929 -2.437 507 1HG1 ILE 68 2HG1 ILE 68 13.907 -29.907 -0.868 508 2HG1 ILE 68 1HG1 ILE 68 14.327 -28.253 -1.286 509 1HG2 ILE 68 1HG2 ILE 68 15.592 -28.966 -4.651 510 2HG2 ILE 68 2HG2 ILE 68 15.325 -27.718 -3.432 511 3HG2 ILE 68 3HG2 ILE 68 13.958 -28.398 -4.313 512 1HD1 ILE 68 1HD1 ILE 68 12.426 -28.168 -2.839 513 2HD1 ILE 68 2HD1 ILE 68 11.930 -28.509 -1.180 514 3HD1 ILE 68 3HD1 ILE 68 11.990 -29.811 -2.366 515 H ARG 69 H ARG 69 16.210 -32.371 -3.608 516 HA ARG 69 HA ARG 69 17.229 -31.869 -6.104 517 1HB ARG 69 2HB ARG 69 18.257 -33.222 -4.281 518 2HB ARG 69 1HB ARG 69 17.164 -34.532 -4.684 519 1HG ARG 69 2HG ARG 69 18.195 -34.716 -6.886 520 2HG ARG 69 1HG ARG 69 19.302 -33.402 -6.472 521 1HD ARG 69 2HD ARG 69 20.067 -34.760 -4.521 522 2HD ARG 69 1HD ARG 69 19.071 -36.085 -5.116 523 HE ARG 69 HE ARG 69 20.713 -35.346 -7.217 524 1HH1 ARG 69 1HH1 ARG 69 21.082 -36.580 -3.958 525 2HH1 ARG 69 2HH1 ARG 69 22.577 -37.405 -4.300 526 1HH2 ARG 69 1HH2 ARG 69 22.667 -36.415 -7.678 527 2HH2 ARG 69 2HH2 ARG 69 23.493 -37.299 -6.431 528 H GLN 70 H GLN 70 14.883 -34.355 -5.208 529 HA GLN 70 HA GLN 70 14.416 -35.198 -7.906 530 1HB GLN 70 2HB GLN 70 14.276 -36.643 -5.854 531 2HB GLN 70 1HB GLN 70 12.817 -35.776 -5.426 532 1HG GLN 70 2HG GLN 70 11.761 -36.510 -7.481 533 2HG GLN 70 1HG GLN 70 13.226 -37.379 -7.926 534 1HE2 GLN 70 1HE2 GLN 70 12.131 -39.357 -7.992 535 2HE2 GLN 70 2HE2 GLN 70 11.637 -40.173 -6.552 536 H LEU 71 H LEU 71 12.681 -33.421 -5.426 537 HA LEU 71 HA LEU 71 10.231 -33.221 -6.796 538 1HB LEU 71 2HB LEU 71 10.776 -32.953 -4.298 539 2HB LEU 71 1HB LEU 71 11.154 -31.290 -4.689 540 HG LEU 71 HG LEU 71 8.864 -31.667 -3.734 541 1HD1 LEU 71 1HD1 LEU 71 9.357 -29.653 -5.004 542 2HD1 LEU 71 2HD1 LEU 71 7.707 -30.194 -5.300 543 3HD1 LEU 71 3HD1 LEU 71 8.959 -30.489 -6.505 544 1HD2 LEU 71 1HD2 LEU 71 8.395 -33.009 -6.390 545 2HD2 LEU 71 2HD2 LEU 71 7.140 -32.570 -5.231 546 3HD2 LEU 71 3HD2 LEU 71 8.353 -33.778 -4.801 547 H LYS 72 H LYS 72 12.813 -30.757 -6.387 548 HA LYS 72 HA LYS 72 11.176 -28.920 -7.962 549 1HB LYS 72 2HB LYS 72 12.262 -28.284 -5.744 550 2HB LYS 72 1HB LYS 72 13.794 -28.280 -6.606 551 1HG LYS 72 2HG LYS 72 13.080 -26.491 -8.018 552 2HG LYS 72 1HG LYS 72 11.431 -26.587 -7.396 553 1HD LYS 72 2HD LYS 72 12.524 -24.713 -6.375 554 2HD LYS 72 1HD LYS 72 12.315 -25.967 -5.149 555 1HE LYS 72 2HE LYS 72 14.652 -26.672 -5.531 556 2HE LYS 72 1HE LYS 72 14.841 -25.343 -6.676 557 1HZ LYS 72 1HZ LYS 72 14.255 -25.109 -3.771 558 2HZ LYS 72 2HZ LYS 72 14.287 -23.800 -4.847 559 3HZ LYS 72 3HZ LYS 72 15.701 -24.685 -4.554 560 H LYS 73 H LYS 73 13.349 -31.206 -8.719 561 HA LYS 73 HA LYS 73 14.180 -29.692 -11.100 562 1HB LYS 73 2HB LYS 73 15.831 -31.114 -9.244 563 2HB LYS 73 1HB LYS 73 15.894 -31.933 -10.799 564 1HG LYS 73 2HG LYS 73 17.668 -30.317 -10.662 565 2HG LYS 73 1HG LYS 73 16.492 -29.799 -11.871 566 1HD LYS 73 2HD LYS 73 15.482 -28.293 -10.197 567 2HD LYS 73 1HD LYS 73 16.723 -28.777 -9.042 568 1HE LYS 73 2HE LYS 73 17.413 -26.707 -9.993 569 2HE LYS 73 1HE LYS 73 18.435 -27.966 -10.678 570 1HZ LYS 73 1HZ LYS 73 17.733 -26.442 -12.388 571 2HZ LYS 73 2HZ LYS 73 16.102 -26.688 -12.008 572 3HZ LYS 73 3HZ LYS 73 17.015 -27.952 -12.667 573 H GLU 74 H GLU 74 13.011 -30.320 -12.744 574 HA GLU 74 HA GLU 74 11.400 -32.599 -12.795 575 1HB GLU 74 2HB GLU 74 12.383 -30.857 -15.058 576 2HB GLU 74 1HB GLU 74 11.182 -32.122 -15.259 577 1HG GLU 74 2HG GLU 74 10.025 -30.061 -15.099 578 2HG GLU 74 1HG GLU 74 9.756 -30.929 -13.592 579 H ASN 75 H ASN 75 12.035 -34.630 -12.855 580 HA ASN 75 HA ASN 75 14.186 -35.370 -14.713 581 1HB ASN 75 2HB ASN 75 14.898 -37.135 -13.143 582 2HB ASN 75 1HB ASN 75 15.068 -35.533 -12.440 583 1HD2 ASN 75 1HD2 ASN 75 13.806 -34.949 -10.717 584 2HD2 ASN 75 2HD2 ASN 75 12.845 -36.086 -9.838 585 H ALA 76 H ALA 76 14.065 -38.035 -14.680 586 HA ALA 76 HA ALA 76 11.942 -38.548 -16.402 587 1HB ALA 76 1HB ALA 76 12.672 -40.850 -16.390 588 2HB ALA 76 2HB ALA 76 13.592 -40.576 -14.911 589 3HB ALA 76 3HB ALA 76 14.072 -39.778 -16.407 590 H LEU 77 H LEU 77 12.330 -39.465 -13.009 591 HA LEU 77 HA LEU 77 10.005 -41.054 -12.870 592 1HB LEU 77 2HB LEU 77 11.536 -39.631 -10.696 593 2HB LEU 77 1HB LEU 77 10.291 -40.827 -10.420 594 HG LEU 77 HG LEU 77 12.921 -41.325 -11.808 595 1HD1 LEU 77 1HD1 LEU 77 13.156 -40.977 -9.404 596 2HD1 LEU 77 2HD1 LEU 77 13.454 -42.660 -9.837 597 3HD1 LEU 77 3HD1 LEU 77 11.919 -42.198 -9.100 598 1HD2 LEU 77 1HD2 LEU 77 12.269 -43.675 -11.782 599 2HD2 LEU 77 2HD2 LEU 77 11.116 -42.712 -12.709 600 3HD2 LEU 77 3HD2 LEU 77 10.713 -43.247 -11.076 601 H GLN 78 H GLN 78 10.624 -37.650 -12.225 602 HA GLN 78 HA GLN 78 8.105 -37.079 -11.060 603 1HB GLN 78 2HB GLN 78 10.112 -35.277 -12.423 604 2HB GLN 78 1HB GLN 78 8.698 -34.699 -11.551 605 1HG GLN 78 2HG GLN 78 10.895 -36.360 -10.338 606 2HG GLN 78 1HG GLN 78 10.788 -34.601 -10.240 607 1HE2 GLN 78 1HE2 GLN 78 9.260 -33.664 -8.933 608 2HE2 GLN 78 2HE2 GLN 78 8.371 -34.552 -7.748 609 H ARG 79 H ARG 79 9.302 -37.049 -14.361 610 HA ARG 79 HA ARG 79 6.937 -35.748 -15.382 611 1HB ARG 79 2HB ARG 79 9.332 -35.572 -16.295 612 2HB ARG 79 1HB ARG 79 9.039 -37.144 -17.022 613 1HG ARG 79 2HG ARG 79 7.104 -36.187 -18.223 614 2HG ARG 79 1HG ARG 79 7.508 -34.607 -17.549 615 1HD ARG 79 2HD ARG 79 8.428 -34.692 -19.737 616 2HD ARG 79 1HD ARG 79 9.770 -34.842 -18.603 617 HE ARG 79 HE ARG 79 8.564 -37.191 -19.921 618 1HH1 ARG 79 1HH1 ARG 79 11.365 -35.237 -19.091 619 2HH1 ARG 79 2HH1 ARG 79 12.501 -36.393 -19.724 620 1HH2 ARG 79 1HH2 ARG 79 10.068 -38.692 -20.763 621 2HH2 ARG 79 2HH2 ARG 79 11.773 -38.342 -20.659 622 H ALA 80 H ALA 80 7.930 -38.921 -14.697 623 HA ALA 80 HA ALA 80 6.334 -40.268 -16.655 624 1HB ALA 80 1HB ALA 80 8.373 -41.268 -15.733 625 2HB ALA 80 2HB ALA 80 6.964 -42.305 -15.502 626 3HB ALA 80 3HB ALA 80 7.601 -41.365 -14.152 627 H ARG 81 H ARG 81 5.718 -38.871 -13.606 628 HA ARG 81 HA ARG 81 3.819 -40.531 -12.470 629 1HB ARG 81 2HB ARG 81 4.259 -37.573 -12.333 630 2HB ARG 81 1HB ARG 81 2.896 -38.306 -11.505 631 1HG ARG 81 2HG ARG 81 4.423 -39.719 -10.234 632 2HG ARG 81 1HG ARG 81 5.794 -38.990 -11.075 633 1HD ARG 81 2HD ARG 81 5.398 -36.884 -10.098 634 2HD ARG 81 1HD ARG 81 3.799 -37.360 -9.533 635 HE ARG 81 HE ARG 81 5.607 -39.069 -8.311 636 1HH1 ARG 81 1HH1 ARG 81 5.048 -35.610 -8.431 637 2HH1 ARG 81 2HH1 ARG 81 5.475 -35.353 -6.764 638 1HH2 ARG 81 1HH2 ARG 81 6.216 -38.725 -6.119 639 2HH2 ARG 81 2HH2 ARG 81 6.169 -37.113 -5.474 640 H THR 82 H THR 82 3.486 -38.542 -15.240 641 HA THR 82 HA THR 82 0.685 -38.160 -15.186 642 HB THR 82 HB THR 82 2.423 -38.298 -17.656 643 HG1 THR 82 1HG THR 82 1.936 -36.077 -15.922 644 1HG2 THR 82 1HG2 THR 82 0.819 -36.683 -18.559 645 2HG2 THR 82 2HG2 THR 82 -0.095 -36.737 -17.051 646 3HG2 THR 82 3HG2 THR 82 0.006 -38.171 -18.074 647 H ARG 83 H ARG 83 2.627 -40.890 -15.861 648 HA ARG 83 HA ARG 83 0.275 -42.355 -16.824 649 1HB ARG 83 2HB ARG 83 3.083 -42.387 -17.899 650 2HB ARG 83 1HB ARG 83 1.987 -43.726 -18.149 651 1HG ARG 83 2HG ARG 83 1.536 -40.896 -19.062 652 2HG ARG 83 1HG ARG 83 2.056 -42.244 -20.076 653 1HD ARG 83 2HD ARG 83 -0.120 -43.370 -19.137 654 2HD ARG 83 1HD ARG 83 -0.603 -41.699 -18.854 655 HE ARG 83 HE ARG 83 0.364 -42.385 -21.521 656 1HH1 ARG 83 1HH1 ARG 83 -2.351 -41.628 -19.432 657 2HH1 ARG 83 2HH1 ARG 83 -3.469 -41.418 -20.750 658 1HH2 ARG 83 1HH2 ARG 83 -1.092 -42.076 -23.245 659 2HH2 ARG 83 2HH2 ARG 83 -2.755 -41.702 -22.916 660 H HIS 84 H HIS 84 0.258 -44.603 -16.293 661 HA HIS 84 HA HIS 84 2.405 -45.479 -14.474 662 1HB HIS 84 2HB HIS 84 0.227 -45.184 -13.278 663 2HB HIS 84 1HB HIS 84 -0.486 -46.385 -14.350 664 HD1 HIS 84 1HD HIS 84 1.500 -46.017 -11.272 665 HD2 HIS 84 2HD HIS 84 0.592 -49.043 -13.982 666 HE1 HIS 84 1HE HIS 84 2.151 -48.168 -10.138 667 HE2 HIS 84 2HE HIS 84 1.867 -49.935 -11.915 668 HA PRO 85 HA PRO 85 2.704 -48.143 -18.097 669 1HB PRO 85 2HB PRO 85 5.218 -49.014 -17.605 670 2HB PRO 85 1HB PRO 85 4.879 -47.428 -18.305 671 1HG PRO 85 2HG PRO 85 5.521 -48.151 -15.473 672 2HG PRO 85 1HG PRO 85 6.122 -46.793 -16.443 673 1HD PRO 85 2HD PRO 85 4.131 -46.535 -14.610 674 2HD PRO 85 1HD PRO 85 4.228 -45.538 -16.074 675 H ALA 86 H ALA 86 3.427 -50.478 -18.383 676 HA ALA 86 HA ALA 86 2.177 -52.038 -16.274 677 1HB ALA 86 1HB ALA 86 1.483 -52.394 -18.597 678 2HB ALA 86 2HB ALA 86 2.146 -53.855 -17.869 679 3HB ALA 86 3HB ALA 86 3.123 -52.916 -18.998 680 H GLU 87 H GLU 87 3.770 -51.983 -14.693 681 HA GLU 87 HA GLU 87 6.460 -52.831 -15.224 682 1HB GLU 87 2HB GLU 87 6.852 -52.559 -12.876 683 2HB GLU 87 1HB GLU 87 5.816 -51.237 -13.385 684 1HG GLU 87 2HG GLU 87 4.890 -53.730 -11.966 685 2HG GLU 87 1HG GLU 87 5.183 -52.168 -11.207 686 H SER 88 H SER 88 3.502 -54.282 -14.154 687 HA SER 88 HA SER 88 4.472 -56.700 -13.129 688 1HB SER 88 2HB SER 88 1.850 -56.246 -14.569 689 2HB SER 88 1HB SER 88 2.205 -57.509 -13.393 690 HG SER 88 HG SER 88 2.348 -54.727 -12.792 691 H CYS 89 H CYS 89 3.853 -55.660 -16.417 692 HA CYS 89 HA CYS 89 3.878 -58.289 -17.530 693 1HB CYS 89 2HB CYS 89 2.661 -56.339 -18.531 694 2HB CYS 89 1HB CYS 89 4.220 -55.659 -18.972 695 HG CYS 89 HG CYS 89 4.793 -58.151 -20.465 696 H LEU 90 H LEU 90 6.270 -55.949 -16.756 697 HA LEU 90 HA LEU 90 8.275 -56.763 -18.586 698 1HB LEU 90 2HB LEU 90 8.306 -54.591 -17.424 699 2HB LEU 90 1HB LEU 90 8.584 -55.414 -15.902 700 HG LEU 90 HG LEU 90 10.754 -56.240 -16.775 701 1HD1 LEU 90 1HD1 LEU 90 11.661 -55.222 -18.824 702 2HD1 LEU 90 2HD1 LEU 90 10.094 -54.476 -19.133 703 3HD1 LEU 90 3HD1 LEU 90 10.254 -56.232 -19.153 704 1HD2 LEU 90 1HD2 LEU 90 10.374 -53.251 -16.885 705 2HD2 LEU 90 2HD2 LEU 90 11.912 -54.084 -16.666 706 3HD2 LEU 90 3HD2 LEU 90 10.658 -54.209 -15.430 707 H GLU 91 H GLU 91 7.741 -57.531 -15.154 708 HA GLU 91 HA GLU 91 9.855 -59.482 -15.149 709 1HB GLU 91 2HB GLU 91 7.709 -58.918 -13.100 710 2HB GLU 91 1HB GLU 91 9.104 -59.958 -12.851 711 1HG GLU 91 2HG GLU 91 10.581 -58.018 -13.205 712 2HG GLU 91 1HG GLU 91 9.157 -56.993 -13.373 713 H HIS 92 H HIS 92 6.321 -59.526 -15.199 714 HA HIS 92 HA HIS 92 6.357 -62.446 -15.379 715 1HB HIS 92 2HB HIS 92 3.961 -60.596 -15.232 716 2HB HIS 92 1HB HIS 92 3.942 -62.349 -15.091 717 HD1 HIS 92 1HD HIS 92 4.803 -63.373 -12.827 718 HD2 HIS 92 2HD HIS 92 4.668 -59.215 -12.928 719 HE1 HIS 92 1HE HIS 92 5.031 -62.621 -10.438 720 HE2 HIS 92 2HE HIS 92 4.775 -60.114 -10.507 721 H HIS 93 H HIS 93 7.477 -62.058 -17.492 722 HA HIS 93 HA HIS 93 5.576 -61.429 -19.637 723 1HB HIS 93 2HB HIS 93 7.524 -61.141 -21.099 724 2HB HIS 93 1HB HIS 93 7.642 -60.109 -19.680 725 HD1 HIS 93 1HD HIS 93 9.712 -60.336 -18.267 726 HD2 HIS 93 2HD HIS 93 9.322 -63.409 -21.045 727 HE1 HIS 93 1HE HIS 93 11.870 -61.626 -18.164 728 HE2 HIS 93 2HE HIS 93 11.569 -63.546 -19.771 729 H HIS 94 H HIS 94 5.406 -62.815 -21.453 730 HA HIS 94 HA HIS 94 6.383 -65.552 -21.017 731 1HB HIS 94 2HB HIS 94 3.535 -64.734 -21.622 732 2HB HIS 94 1HB HIS 94 4.130 -66.380 -21.805 733 HD1 HIS 94 1HD HIS 94 3.023 -63.905 -19.260 734 HD2 HIS 94 2HD HIS 94 4.672 -67.726 -19.365 735 HE1 HIS 94 1HE HIS 94 2.750 -64.832 -16.933 736 HE2 HIS 94 2HE HIS 94 3.586 -67.208 -17.073 737 H HIS 95 H HIS 95 5.927 -66.910 -23.042 738 HA HIS 95 HA HIS 95 6.873 -65.368 -25.331 739 1HB HIS 95 2HB HIS 95 7.970 -67.535 -24.635 740 2HB HIS 95 1HB HIS 95 6.494 -68.364 -25.117 741 HD1 HIS 95 1HD HIS 95 9.424 -66.490 -26.538 742 HD2 HIS 95 2HD HIS 95 6.198 -68.763 -27.848 743 HE1 HIS 95 1HE HIS 95 9.867 -66.956 -28.970 744 HE2 HIS 95 2HE HIS 95 8.030 -68.536 -29.660 745 H HIS 96 H HIS 96 5.223 -64.341 -26.274 746 HA HIS 96 HA HIS 96 3.196 -63.866 -27.159 747 1HB HIS 96 2HB HIS 96 3.936 -65.532 -28.847 748 2HB HIS 96 1HB HIS 96 3.158 -66.800 -27.905 749 HD1 HIS 96 1HD HIS 96 0.765 -67.259 -28.429 750 HD2 HIS 96 2HD HIS 96 2.023 -63.581 -29.913 751 HE1 HIS 96 1HE HIS 96 -1.160 -66.386 -29.787 752 HE2 HIS 96 2HE HIS 96 -0.297 -64.264 -30.844 753 H HIS 97 H HIS 97 1.998 -67.061 -26.639 754 HA HIS 97 HA HIS 97 1.079 -67.045 -24.056 755 1HB HIS 97 2HB HIS 97 -0.538 -65.291 -25.748 756 2HB HIS 97 1HB HIS 97 -1.485 -66.582 -25.016 757 HD1 HIS 97 1HD HIS 97 -0.763 -63.254 -24.378 758 HD2 HIS 97 2HD HIS 97 -0.546 -66.678 -22.023 759 HE1 HIS 97 1HE HIS 97 -0.819 -62.446 -21.995 760 HE2 HIS 97 2HE HIS 97 -0.531 -64.517 -20.590 Start of MODEL 9 1 1H MET 1 1HT MET 1 -2.609 13.281 2.694 2 2H MET 1 2HT MET 1 -2.062 13.866 4.185 3 3H MET 1 3HT MET 1 -2.294 12.204 3.965 4 HA MET 1 HA MET 1 0.052 12.883 3.924 5 1HB MET 1 2HB MET 1 0.619 11.668 1.811 6 2HB MET 1 1HB MET 1 -0.537 10.815 2.828 7 1HG MET 1 2HG MET 1 -2.353 11.697 1.372 8 2HG MET 1 1HG MET 1 -1.117 12.367 0.317 9 1HE MET 1 1HE MET 1 0.693 10.864 -0.951 10 2HE MET 1 2HE MET 1 0.707 9.100 -0.908 11 3HE MET 1 3HE MET 1 1.113 10.020 0.539 12 HA PRO 2 HA PRO 2 0.217 16.893 1.786 13 1HB PRO 2 2HB PRO 2 2.565 17.294 3.486 14 2HB PRO 2 1HB PRO 2 1.079 18.244 3.395 15 1HG PRO 2 2HG PRO 2 1.669 16.699 5.525 16 2HG PRO 2 1HG PRO 2 0.004 16.959 4.971 17 1HD PRO 2 2HD PRO 2 1.807 14.604 4.523 18 2HD PRO 2 1HD PRO 2 0.075 14.637 4.925 19 H THR 3 H THR 3 2.689 14.513 2.332 20 HA THR 3 HA THR 3 3.759 14.877 -0.293 21 HB THR 3 HB THR 3 4.927 16.724 0.852 22 HG1 THR 3 1HG THR 3 6.991 16.161 0.158 23 1HG2 THR 3 1HG2 THR 3 6.577 16.243 2.601 24 2HG2 THR 3 2HG2 THR 3 6.057 14.557 2.622 25 3HG2 THR 3 3HG2 THR 3 4.940 15.829 3.117 26 H LYS 4 H LYS 4 5.637 13.426 -0.645 27 HA LYS 4 HA LYS 4 6.573 11.384 -0.700 28 1HB LYS 4 2HB LYS 4 7.346 11.860 1.578 29 2HB LYS 4 1HB LYS 4 5.836 11.231 2.226 30 1HG LYS 4 2HG LYS 4 7.762 9.653 2.355 31 2HG LYS 4 1HG LYS 4 6.348 9.021 1.508 32 1HD LYS 4 2HD LYS 4 7.389 9.541 -0.637 33 2HD LYS 4 1HD LYS 4 8.794 10.204 0.189 34 1HE LYS 4 2HE LYS 4 9.250 7.997 1.161 35 2HE LYS 4 1HE LYS 4 7.845 7.343 0.316 36 1HZ LYS 4 1HZ LYS 4 10.234 8.546 -0.976 37 2HZ LYS 4 2HZ LYS 4 8.887 7.903 -1.788 38 3HZ LYS 4 3HZ LYS 4 9.899 6.886 -0.882 39 H THR 5 H THR 5 5.633 9.946 -1.893 40 HA THR 5 HA THR 5 3.004 8.919 -1.269 41 HB THR 5 HB THR 5 3.465 7.704 -3.497 42 HG1 THR 5 1HG THR 5 5.256 9.603 -4.252 43 1HG2 THR 5 1HG2 THR 5 2.017 9.683 -3.266 44 2HG2 THR 5 2HG2 THR 5 2.904 9.684 -4.789 45 3HG2 THR 5 3HG2 THR 5 3.433 10.717 -3.462 46 H TYR 6 H TYR 6 3.499 6.336 -2.542 47 HA TYR 6 HA TYR 6 3.879 4.668 -0.436 48 1HB TYR 6 2HB TYR 6 4.295 2.878 -2.051 49 2HB TYR 6 1HB TYR 6 2.993 3.926 -2.587 50 HD1 TYR 6 1HD TYR 6 4.520 6.162 -3.827 51 HD2 TYR 6 2HD TYR 6 5.148 1.962 -3.990 52 HE1 TYR 6 1HE TYR 6 5.633 6.423 -5.999 53 HE2 TYR 6 2HE TYR 6 6.260 2.210 -6.167 54 HH TYR 6 HH TYR 6 6.097 4.015 -8.122 55 H SER 7 H SER 7 5.473 3.952 0.766 56 HA SER 7 HA SER 7 8.220 4.689 0.096 57 1HB SER 7 2HB SER 7 8.613 4.156 2.531 58 2HB SER 7 1HB SER 7 7.472 5.475 2.249 59 HG SER 7 HG SER 7 6.880 3.732 3.819 60 H GLU 8 H GLU 8 9.658 2.860 1.563 61 HA GLU 8 HA GLU 8 9.605 0.595 -0.157 62 1HB GLU 8 2HB GLU 8 11.463 -0.249 1.101 63 2HB GLU 8 1HB GLU 8 11.683 1.480 0.893 64 1HG GLU 8 2HG GLU 8 11.065 1.908 3.152 65 2HG GLU 8 1HG GLU 8 10.556 0.236 3.387 66 H GLU 9 H GLU 9 8.293 1.272 2.999 67 HA GLU 9 HA GLU 9 7.843 -1.360 3.881 68 1HB GLU 9 2HB GLU 9 7.682 0.689 5.300 69 2HB GLU 9 1HB GLU 9 6.180 1.096 4.485 70 1HG GLU 9 2HG GLU 9 5.681 0.074 6.595 71 2HG GLU 9 1HG GLU 9 5.201 -1.016 5.294 72 H PHE 10 H PHE 10 5.937 0.835 1.898 73 HA PHE 10 HA PHE 10 3.595 -0.720 1.725 74 1HB PHE 10 2HB PHE 10 3.691 1.654 1.072 75 2HB PHE 10 1HB PHE 10 4.738 1.242 -0.282 76 HD1 PHE 10 1HD PHE 10 3.845 0.472 -2.325 77 HD2 PHE 10 2HD PHE 10 1.328 0.832 1.092 78 HE1 PHE 10 1HE PHE 10 1.869 0.118 -3.747 79 HE2 PHE 10 2HE PHE 10 -0.651 0.480 -0.326 80 HZ PHE 10 HZ PHE 10 -0.382 0.121 -2.748 81 H LYS 11 H LYS 11 6.530 -0.614 -0.225 82 HA LYS 11 HA LYS 11 5.647 -2.504 -2.155 83 1HB LYS 11 2HB LYS 11 8.487 -1.780 -1.415 84 2HB LYS 11 1HB LYS 11 7.951 -2.529 -2.914 85 1HG LYS 11 2HG LYS 11 6.638 -0.475 -3.401 86 2HG LYS 11 1HG LYS 11 7.348 0.265 -1.966 87 1HD LYS 11 2HD LYS 11 9.589 -0.079 -2.930 88 2HD LYS 11 1HD LYS 11 8.839 -0.739 -4.387 89 1HE LYS 11 2HE LYS 11 7.614 1.419 -4.640 90 2HE LYS 11 1HE LYS 11 8.553 2.051 -3.291 91 1HZ LYS 11 1HZ LYS 11 9.654 1.079 -5.867 92 2HZ LYS 11 2HZ LYS 11 10.578 1.667 -4.576 93 3HZ LYS 11 3HZ LYS 11 9.512 2.693 -5.399 94 H ARG 12 H ARG 12 7.480 -2.732 0.858 95 HA ARG 12 HA ARG 12 8.193 -5.426 0.702 96 1HB ARG 12 2HB ARG 12 9.104 -3.733 2.268 97 2HB ARG 12 1HB ARG 12 7.579 -3.754 3.139 98 1HG ARG 12 2HG ARG 12 7.949 -5.862 4.001 99 2HG ARG 12 1HG ARG 12 9.133 -6.273 2.756 100 1HD ARG 12 2HD ARG 12 10.296 -5.895 4.782 101 2HD ARG 12 1HD ARG 12 10.644 -4.554 3.714 102 HE ARG 12 HE ARG 12 8.493 -3.803 5.331 103 1HH1 ARG 12 1HH1 ARG 12 11.875 -4.648 5.680 104 2HH1 ARG 12 2HH1 ARG 12 12.130 -3.636 7.069 105 1HH2 ARG 12 1HH2 ARG 12 8.797 -2.489 7.174 106 2HH2 ARG 12 2HH2 ARG 12 10.362 -2.421 7.939 107 H ASP 13 H ASP 13 5.284 -3.839 1.953 108 HA ASP 13 HA ASP 13 4.078 -6.163 3.034 109 1HB ASP 13 2HB ASP 13 3.360 -3.880 3.631 110 2HB ASP 13 1HB ASP 13 2.752 -3.646 1.995 111 H ALA 14 H ALA 14 4.043 -4.702 -0.152 112 HA ALA 14 HA ALA 14 2.024 -6.309 -1.295 113 1HB ALA 14 1HB ALA 14 2.878 -5.526 -3.437 114 2HB ALA 14 2HB ALA 14 4.341 -4.933 -2.647 115 3HB ALA 14 3HB ALA 14 2.780 -4.200 -2.278 116 H VAL 15 H VAL 15 5.495 -6.740 -0.907 117 HA VAL 15 HA VAL 15 5.724 -9.039 -2.552 118 HB VAL 15 HB VAL 15 7.464 -8.174 -0.233 119 1HG1 VAL 15 1HG1 VAL 15 8.035 -10.143 -2.450 120 2HG1 VAL 15 2HG1 VAL 15 7.765 -10.544 -0.754 121 3HG1 VAL 15 3HG1 VAL 15 9.182 -9.605 -1.221 122 1HG2 VAL 15 1HG2 VAL 15 7.378 -6.491 -1.963 123 2HG2 VAL 15 2HG2 VAL 15 7.710 -7.704 -3.201 124 3HG2 VAL 15 3HG2 VAL 15 8.943 -7.304 -2.005 125 H ALA 16 H ALA 16 5.090 -8.548 0.885 126 HA ALA 16 HA ALA 16 5.125 -11.243 1.685 127 1HB ALA 16 1HB ALA 16 3.818 -10.507 3.618 128 2HB ALA 16 2HB ALA 16 3.490 -8.970 2.815 129 3HB ALA 16 3HB ALA 16 5.139 -9.392 3.273 130 H LEU 17 H LEU 17 2.662 -9.274 0.158 131 HA LEU 17 HA LEU 17 0.477 -11.036 0.425 132 1HB LEU 17 2HB LEU 17 1.064 -8.612 -0.992 133 2HB LEU 17 1HB LEU 17 0.293 -9.737 -2.090 134 HG LEU 17 HG LEU 17 -1.457 -8.465 -1.221 135 1HD1 LEU 17 1HD1 LEU 17 -1.957 -10.840 -1.184 136 2HD1 LEU 17 2HD1 LEU 17 -2.775 -10.013 0.140 137 3HD1 LEU 17 3HD1 LEU 17 -1.326 -10.965 0.457 138 1HD2 LEU 17 1HD2 LEU 17 -0.226 -7.379 0.576 139 2HD2 LEU 17 2HD2 LEU 17 -0.308 -8.857 1.535 140 3HD2 LEU 17 3HD2 LEU 17 -1.787 -7.980 1.136 141 H TYR 18 H TYR 18 3.118 -10.872 -1.902 142 HA TYR 18 HA TYR 18 1.939 -12.713 -3.736 143 1HB TYR 18 2HB TYR 18 3.654 -10.961 -4.338 144 2HB TYR 18 1HB TYR 18 4.867 -11.976 -3.564 145 HD1 TYR 18 1HD TYR 18 2.160 -12.222 -6.123 146 HD2 TYR 18 2HD TYR 18 6.048 -13.460 -4.907 147 HE1 TYR 18 1HE TYR 18 2.407 -13.474 -8.221 148 HE2 TYR 18 2HE TYR 18 6.307 -14.717 -7.007 149 HH TYR 18 HH TYR 18 5.053 -15.653 -8.776 150 H GLU 19 H GLU 19 3.967 -13.039 -0.912 151 HA GLU 19 HA GLU 19 4.784 -15.714 -1.348 152 1HB GLU 19 2HB GLU 19 4.353 -14.137 1.188 153 2HB GLU 19 1HB GLU 19 4.919 -15.801 1.194 154 1HG GLU 19 2HG GLU 19 6.820 -15.058 -0.258 155 2HG GLU 19 1HG GLU 19 6.296 -13.399 0.031 156 H ASN 20 H ASN 20 1.849 -14.266 -0.241 157 HA ASN 20 HA ASN 20 0.682 -16.819 0.550 158 1HB ASN 20 2HB ASN 20 -0.260 -13.956 0.741 159 2HB ASN 20 1HB ASN 20 -1.298 -15.319 1.133 160 1HD2 ASN 20 1HD2 ASN 20 1.468 -13.441 2.112 161 2HD2 ASN 20 2HD2 ASN 20 1.600 -14.115 3.699 162 H SER 21 H SER 21 1.379 -16.599 -2.134 163 HA SER 21 HA SER 21 -0.634 -15.563 -3.806 164 1HB SER 21 2HB SER 21 0.474 -16.904 -5.572 165 2HB SER 21 1HB SER 21 1.598 -15.906 -4.646 166 HG SER 21 HG SER 21 2.579 -17.829 -4.627 167 H ASP 22 H ASP 22 -0.442 -18.499 -2.047 168 HA ASP 22 HA ASP 22 -1.896 -20.282 -3.558 169 1HB ASP 22 2HB ASP 22 -0.909 -20.863 -1.380 170 2HB ASP 22 1HB ASP 22 -2.115 -19.867 -0.571 171 H GLY 23 H GLY 23 -3.105 -17.765 -1.422 172 1HA GLY 23 2HA GLY 23 -5.749 -18.088 -2.691 173 2HA GLY 23 1HA GLY 23 -5.511 -17.500 -1.051 174 H ALA 24 H ALA 24 -3.269 -16.402 -3.423 175 HA ALA 24 HA ALA 24 -4.785 -14.004 -4.023 176 1HB ALA 24 1HB ALA 24 -3.173 -12.467 -3.071 177 2HB ALA 24 2HB ALA 24 -2.206 -13.813 -2.469 178 3HB ALA 24 3HB ALA 24 -3.816 -13.520 -1.812 179 H SER 25 H SER 25 -4.571 -14.376 -6.163 180 HA SER 25 HA SER 25 -2.112 -15.209 -7.355 181 1HB SER 25 2HB SER 25 -3.509 -14.708 -9.489 182 2HB SER 25 1HB SER 25 -4.014 -16.020 -8.426 183 HG SER 25 HG SER 25 -5.392 -13.860 -9.146 184 H LEU 26 H LEU 26 -1.083 -14.032 -9.145 185 HA LEU 26 HA LEU 26 -0.062 -11.588 -8.294 186 1HB LEU 26 2HB LEU 26 0.787 -13.341 -10.050 187 2HB LEU 26 1HB LEU 26 -0.086 -12.343 -11.195 188 HG LEU 26 HG LEU 26 2.105 -11.293 -9.401 189 1HD1 LEU 26 1HD1 LEU 26 3.521 -11.378 -11.406 190 2HD1 LEU 26 2HD1 LEU 26 2.232 -12.219 -12.267 191 3HD1 LEU 26 3HD1 LEU 26 3.014 -12.985 -10.884 192 1HD2 LEU 26 1HD2 LEU 26 2.141 -9.427 -10.985 193 2HD2 LEU 26 2HD2 LEU 26 0.559 -9.582 -10.220 194 3HD2 LEU 26 3HD2 LEU 26 0.799 -10.150 -11.872 195 H GLN 27 H GLN 27 -2.466 -12.240 -10.852 196 HA GLN 27 HA GLN 27 -2.963 -9.596 -11.614 197 1HB GLN 27 2HB GLN 27 -3.794 -11.802 -12.669 198 2HB GLN 27 1HB GLN 27 -5.105 -11.718 -11.504 199 1HG GLN 27 2HG GLN 27 -4.512 -9.497 -13.436 200 2HG GLN 27 1HG GLN 27 -5.576 -10.841 -13.828 201 1HE2 GLN 27 1HE2 GLN 27 -6.125 -8.009 -13.664 202 2HE2 GLN 27 2HE2 GLN 27 -7.390 -7.820 -12.505 203 H GLN 28 H GLN 28 -4.398 -11.571 -9.082 204 HA GLN 28 HA GLN 28 -6.387 -9.737 -8.305 205 1HB GLN 28 2HB GLN 28 -5.348 -12.302 -7.392 206 2HB GLN 28 1HB GLN 28 -5.882 -11.284 -6.068 207 1HG GLN 28 2HG GLN 28 -7.677 -12.732 -6.824 208 2HG GLN 28 1HG GLN 28 -8.069 -11.040 -7.125 209 1HE2 GLN 28 1HE2 GLN 28 -9.544 -11.527 -8.721 210 2HE2 GLN 28 2HE2 GLN 28 -9.064 -12.097 -10.284 211 H ILE 29 H ILE 29 -3.042 -10.196 -7.247 212 HA ILE 29 HA ILE 29 -3.132 -8.493 -4.997 213 HB ILE 29 HB ILE 29 -0.761 -8.987 -6.816 214 1HG1 ILE 29 2HG1 ILE 29 -1.684 -11.086 -5.919 215 2HG1 ILE 29 1HG1 ILE 29 -0.110 -10.721 -5.206 216 1HG2 ILE 29 1HG2 ILE 29 -0.898 -8.012 -3.963 217 2HG2 ILE 29 2HG2 ILE 29 -0.469 -7.042 -5.373 218 3HG2 ILE 29 3HG2 ILE 29 0.580 -8.364 -4.858 219 1HD1 ILE 29 1HD1 ILE 29 -1.288 -9.828 -3.223 220 2HD1 ILE 29 2HD1 ILE 29 -1.585 -11.539 -3.512 221 3HD1 ILE 29 3HD1 ILE 29 -2.818 -10.348 -3.931 222 H ALA 30 H ALA 30 -2.158 -7.857 -8.352 223 HA ALA 30 HA ALA 30 -1.747 -5.074 -7.972 224 1HB ALA 30 1HB ALA 30 -1.639 -4.962 -10.403 225 2HB ALA 30 2HB ALA 30 -2.307 -6.590 -10.520 226 3HB ALA 30 3HB ALA 30 -0.715 -6.340 -9.802 227 H ASN 31 H ASN 31 -4.495 -7.038 -8.710 228 HA ASN 31 HA ASN 31 -6.217 -5.043 -9.733 229 1HB ASN 31 2HB ASN 31 -6.343 -7.698 -9.692 230 2HB ASN 31 1HB ASN 31 -7.282 -7.404 -8.234 231 1HD2 ASN 31 1HD2 ASN 31 -8.028 -8.560 -10.770 232 2HD2 ASN 31 2HD2 ASN 31 -9.335 -7.606 -11.391 233 H ASP 32 H ASP 32 -5.732 -6.395 -6.498 234 HA ASP 32 HA ASP 32 -7.809 -4.966 -5.218 235 1HB ASP 32 2HB ASP 32 -6.659 -7.008 -4.298 236 2HB ASP 32 1HB ASP 32 -5.261 -6.001 -3.951 237 H LEU 33 H LEU 33 -4.311 -4.381 -5.377 238 HA LEU 33 HA LEU 33 -4.452 -1.953 -3.894 239 1HB LEU 33 2HB LEU 33 -2.304 -3.333 -5.461 240 2HB LEU 33 1HB LEU 33 -2.059 -1.703 -4.877 241 HG LEU 33 HG LEU 33 -2.465 -2.527 -2.554 242 1HD1 LEU 33 1HD1 LEU 33 -2.336 -4.928 -2.124 243 2HD1 LEU 33 2HD1 LEU 33 -2.376 -5.242 -3.859 244 3HD1 LEU 33 3HD1 LEU 33 -3.770 -4.512 -3.063 245 1HD2 LEU 33 1HD2 LEU 33 -0.289 -3.582 -2.312 246 2HD2 LEU 33 2HD2 LEU 33 -0.211 -2.226 -3.437 247 3HD2 LEU 33 3HD2 LEU 33 -0.227 -3.880 -4.050 248 H GLY 34 H GLY 34 -4.604 -2.770 -7.270 249 1HA GLY 34 2HA GLY 34 -5.371 -1.435 -9.009 250 2HA GLY 34 1HA GLY 34 -5.365 -0.056 -7.918 251 H ILE 35 H ILE 35 -2.812 -2.304 -8.916 252 HA ILE 35 HA ILE 35 -1.299 -0.013 -9.973 253 HB ILE 35 HB ILE 35 0.776 -1.060 -9.074 254 1HG1 ILE 35 2HG1 ILE 35 -1.152 -2.740 -7.458 255 2HG1 ILE 35 1HG1 ILE 35 -0.123 -3.336 -8.755 256 1HG2 ILE 35 1HG2 ILE 35 -1.281 -0.192 -7.051 257 2HG2 ILE 35 2HG2 ILE 35 -0.168 0.845 -7.945 258 3HG2 ILE 35 3HG2 ILE 35 0.454 -0.291 -6.749 259 1HD1 ILE 35 1HD1 ILE 35 0.822 -2.156 -6.154 260 2HD1 ILE 35 2HD1 ILE 35 1.854 -2.761 -7.450 261 3HD1 ILE 35 3HD1 ILE 35 0.797 -3.868 -6.575 262 H ASN 36 H ASN 36 0.662 -0.861 -11.283 263 HA ASN 36 HA ASN 36 -0.318 -2.746 -13.203 264 1HB ASN 36 2HB ASN 36 1.136 -0.736 -13.734 265 2HB ASN 36 1HB ASN 36 2.478 -1.619 -13.026 266 1HD2 ASN 36 1HD2 ASN 36 0.193 -1.494 -15.617 267 2HD2 ASN 36 2HD2 ASN 36 1.029 -2.573 -16.671 268 H ARG 37 H ARG 37 0.478 -4.781 -13.647 269 HA ARG 37 HA ARG 37 1.293 -6.251 -11.373 270 1HB ARG 37 2HB ARG 37 0.995 -8.148 -12.693 271 2HB ARG 37 1HB ARG 37 -0.195 -7.022 -13.294 272 1HG ARG 37 2HG ARG 37 1.241 -6.529 -15.200 273 2HG ARG 37 1HG ARG 37 2.461 -7.643 -14.575 274 1HD ARG 37 2HD ARG 37 0.538 -9.371 -14.591 275 2HD ARG 37 1HD ARG 37 -0.251 -8.241 -15.688 276 HE ARG 37 HE ARG 37 2.273 -8.616 -16.717 277 1HH1 ARG 37 1HH1 ARG 37 -0.531 -10.603 -16.018 278 2HH1 ARG 37 2HH1 ARG 37 -0.119 -11.823 -17.187 279 1HH2 ARG 37 1HH2 ARG 37 2.825 -10.201 -18.230 280 2HH2 ARG 37 2HH2 ARG 37 1.824 -11.612 -18.431 281 H VAL 38 H VAL 38 2.964 -4.906 -14.122 282 HA VAL 38 HA VAL 38 5.398 -6.354 -13.745 283 HB VAL 38 HB VAL 38 4.952 -3.731 -15.194 284 1HG1 VAL 38 1HG1 VAL 38 7.228 -5.699 -15.362 285 2HG1 VAL 38 2HG1 VAL 38 7.288 -4.101 -14.617 286 3HG1 VAL 38 3HG1 VAL 38 7.033 -4.255 -16.356 287 1HG2 VAL 38 1HG2 VAL 38 3.579 -5.547 -16.089 288 2HG2 VAL 38 2HG2 VAL 38 5.019 -6.552 -16.263 289 3HG2 VAL 38 3HG2 VAL 38 4.848 -5.081 -17.221 290 H THR 39 H THR 39 4.202 -3.151 -12.783 291 HA THR 39 HA THR 39 6.506 -2.251 -11.465 292 HB THR 39 HB THR 39 3.627 -1.706 -10.689 293 HG1 THR 39 1HG THR 39 5.317 -0.698 -12.721 294 1HG2 THR 39 1HG2 THR 39 5.259 -0.996 -8.993 295 2HG2 THR 39 2HG2 THR 39 4.497 0.389 -9.778 296 3HG2 THR 39 3HG2 THR 39 6.138 -0.089 -10.219 297 H LEU 40 H LEU 40 3.749 -4.133 -10.269 298 HA LEU 40 HA LEU 40 4.580 -4.534 -7.637 299 1HB LEU 40 2HB LEU 40 2.361 -5.137 -8.421 300 2HB LEU 40 1HB LEU 40 3.036 -6.345 -9.495 301 HG LEU 40 HG LEU 40 3.850 -7.582 -7.472 302 1HD1 LEU 40 1HD1 LEU 40 3.873 -5.731 -5.896 303 2HD1 LEU 40 2HD1 LEU 40 2.835 -7.033 -5.316 304 3HD1 LEU 40 3HD1 LEU 40 2.120 -5.584 -6.023 305 1HD2 LEU 40 1HD2 LEU 40 1.658 -8.502 -6.920 306 2HD2 LEU 40 2HD2 LEU 40 1.816 -8.230 -8.655 307 3HD2 LEU 40 3HD2 LEU 40 0.878 -7.109 -7.668 308 H LYS 41 H LYS 41 5.168 -6.503 -10.523 309 HA LYS 41 HA LYS 41 6.713 -8.532 -9.429 310 1HB LYS 41 2HB LYS 41 5.816 -8.436 -11.751 311 2HB LYS 41 1HB LYS 41 7.046 -7.256 -12.148 312 1HG LYS 41 2HG LYS 41 8.790 -8.890 -11.697 313 2HG LYS 41 1HG LYS 41 7.563 -10.085 -11.265 314 1HD LYS 41 2HD LYS 41 6.663 -10.027 -13.514 315 2HD LYS 41 1HD LYS 41 7.784 -8.740 -13.961 316 1HE LYS 41 2HE LYS 41 8.620 -11.495 -13.063 317 2HE LYS 41 1HE LYS 41 8.463 -11.003 -14.748 318 1HZ LYS 41 1HZ LYS 41 10.216 -9.463 -14.514 319 2HZ LYS 41 2HZ LYS 41 10.763 -10.895 -13.785 320 3HZ LYS 41 3HZ LYS 41 10.230 -9.602 -12.829 321 H ASN 42 H ASN 42 7.695 -5.401 -10.707 322 HA ASN 42 HA ASN 42 10.459 -5.652 -10.466 323 1HB ASN 42 2HB ASN 42 8.686 -3.223 -10.240 324 2HB ASN 42 1HB ASN 42 10.441 -3.128 -10.236 325 1HD2 ASN 42 1HD2 ASN 42 8.668 -1.935 -12.097 326 2HD2 ASN 42 2HD2 ASN 42 9.029 -2.599 -13.658 327 H TRP 43 H TRP 43 8.057 -4.710 -8.054 328 HA TRP 43 HA TRP 43 9.974 -4.032 -6.043 329 1HB TRP 43 2HB TRP 43 7.071 -4.838 -5.719 330 2HB TRP 43 1HB TRP 43 8.071 -4.098 -4.479 331 HD1 TRP 43 HD TRP 43 9.183 -2.034 -7.060 332 HE1 TRP 43 1HE TRP 43 7.705 0.050 -7.426 333 HE3 TRP 43 3HE TRP 43 4.974 -3.590 -4.621 334 HZ2 TRP 43 2HZ TRP 43 5.096 0.907 -6.761 335 HZ3 TRP 43 3HZ TRP 43 3.034 -2.083 -4.534 336 HH2 TRP 43 HH TRP 43 3.097 0.117 -5.583 337 H ILE 44 H ILE 44 8.062 -6.894 -6.807 338 HA ILE 44 HA ILE 44 8.631 -8.475 -4.602 339 HB ILE 44 HB ILE 44 8.227 -9.374 -7.466 340 1HG1 ILE 44 2HG1 ILE 44 6.245 -9.148 -5.186 341 2HG1 ILE 44 1HG1 ILE 44 6.394 -7.993 -6.505 342 1HG2 ILE 44 1HG2 ILE 44 7.986 -10.940 -4.900 343 2HG2 ILE 44 2HG2 ILE 44 9.225 -11.144 -6.137 344 3HG2 ILE 44 3HG2 ILE 44 7.543 -11.526 -6.505 345 1HD1 ILE 44 1HD1 ILE 44 5.794 -9.748 -8.096 346 2HD1 ILE 44 2HD1 ILE 44 4.545 -9.492 -6.877 347 3HD1 ILE 44 3HD1 ILE 44 5.621 -10.883 -6.757 348 H ILE 45 H ILE 45 10.472 -8.135 -7.627 349 HA ILE 45 HA ILE 45 12.434 -10.074 -6.967 350 HB ILE 45 HB ILE 45 12.638 -7.713 -8.851 351 1HG1 ILE 45 2HG1 ILE 45 11.962 -10.617 -9.375 352 2HG1 ILE 45 1HG1 ILE 45 10.811 -9.286 -9.389 353 1HG2 ILE 45 1HG2 ILE 45 14.341 -10.196 -8.652 354 2HG2 ILE 45 2HG2 ILE 45 14.842 -8.560 -8.223 355 3HG2 ILE 45 3HG2 ILE 45 14.471 -8.958 -9.902 356 1HD1 ILE 45 1HD1 ILE 45 11.453 -9.936 -11.641 357 2HD1 ILE 45 2HD1 ILE 45 13.145 -9.615 -11.257 358 3HD1 ILE 45 3HD1 ILE 45 11.980 -8.292 -11.280 359 H LYS 46 H LYS 46 12.308 -6.552 -6.564 360 HA LYS 46 HA LYS 46 14.987 -6.291 -5.706 361 1HB LYS 46 2HB LYS 46 12.601 -4.459 -5.498 362 2HB LYS 46 1HB LYS 46 14.222 -4.000 -5.022 363 1HG LYS 46 2HG LYS 46 14.997 -4.459 -7.321 364 2HG LYS 46 1HG LYS 46 13.327 -4.800 -7.774 365 1HD LYS 46 2HD LYS 46 12.694 -2.519 -7.130 366 2HD LYS 46 1HD LYS 46 14.372 -2.181 -6.700 367 1HE LYS 46 2HE LYS 46 13.989 -1.289 -8.882 368 2HE LYS 46 1HE LYS 46 14.997 -2.725 -9.065 369 1HZ LYS 46 1HZ LYS 46 13.421 -3.049 -10.689 370 2HZ LYS 46 2HZ LYS 46 12.177 -2.322 -9.796 371 3HZ LYS 46 3HZ LYS 46 12.706 -3.883 -9.399 372 H TYR 47 H TYR 47 11.903 -6.261 -3.911 373 HA TYR 47 HA TYR 47 13.331 -6.063 -1.400 374 1HB TYR 47 2HB TYR 47 10.402 -6.219 -2.091 375 2HB TYR 47 1HB TYR 47 10.988 -6.190 -0.430 376 HD1 TYR 47 1HD TYR 47 10.836 -4.268 -3.586 377 HD2 TYR 47 2HD TYR 47 11.693 -4.157 0.581 378 HE1 TYR 47 1HE TYR 47 10.948 -1.818 -3.678 379 HE2 TYR 47 2HE TYR 47 11.808 -1.702 0.499 380 HH TYR 47 HH TYR 47 12.103 0.076 -1.004 381 H GLY 48 H GLY 48 11.975 -8.555 -3.372 382 1HA GLY 48 2HA GLY 48 11.744 -10.570 -1.379 383 2HA GLY 48 1HA GLY 48 11.925 -10.841 -3.109 384 H SER 49 H SER 49 14.384 -9.369 -3.328 385 HA SER 49 HA SER 49 16.248 -11.343 -2.440 386 1HB SER 49 2HB SER 49 16.767 -8.643 -3.699 387 2HB SER 49 1HB SER 49 17.935 -9.954 -3.538 388 HG SER 49 HG SER 49 15.689 -9.754 -5.226 389 H ASN 50 H ASN 50 15.818 -7.889 -1.755 390 HA ASN 50 HA ASN 50 16.187 -8.112 1.017 391 1HB ASN 50 2HB ASN 50 18.514 -8.660 0.444 392 2HB ASN 50 1HB ASN 50 18.634 -7.191 -0.516 393 1HD2 ASN 50 1HD2 ASN 50 20.276 -6.305 0.639 394 2HD2 ASN 50 2HD2 ASN 50 20.093 -5.738 2.267 395 H HIS 51 H HIS 51 17.402 -5.874 -1.449 396 HA HIS 51 HA HIS 51 15.418 -3.875 -0.956 397 1HB HIS 51 2HB HIS 51 18.008 -3.742 0.511 398 2HB HIS 51 1HB HIS 51 17.439 -2.246 -0.217 399 HD1 HIS 51 1HD HIS 51 17.247 -4.067 2.852 400 HD2 HIS 51 2HD HIS 51 14.606 -1.713 0.665 401 HE1 HIS 51 1HE HIS 51 15.464 -3.363 4.473 402 HE2 HIS 51 2HE HIS 51 13.981 -1.779 3.175 403 H ASN 52 H ASN 52 15.782 -1.939 -2.282 404 HA ASN 52 HA ASN 52 17.358 -2.571 -4.624 405 1HB ASN 52 2HB ASN 52 16.229 -0.414 -5.486 406 2HB ASN 52 1HB ASN 52 15.252 -1.860 -5.310 407 1HD2 ASN 52 1HD2 ASN 52 13.746 -1.962 -3.637 408 2HD2 ASN 52 2HD2 ASN 52 13.186 -0.538 -2.827 409 H VAL 53 H VAL 53 19.311 -2.331 -3.424 410 HA VAL 53 HA VAL 53 20.203 0.228 -2.519 411 HB VAL 53 HB VAL 53 21.869 -2.182 -3.277 412 1HG1 VAL 53 1HG1 VAL 53 23.512 -1.289 -1.727 413 2HG1 VAL 53 2HG1 VAL 53 22.475 0.102 -1.412 414 3HG1 VAL 53 3HG1 VAL 53 23.168 -0.136 -3.017 415 1HG2 VAL 53 1HG2 VAL 53 21.741 -2.851 -0.933 416 2HG2 VAL 53 2HG2 VAL 53 20.131 -2.784 -1.655 417 3HG2 VAL 53 3HG2 VAL 53 20.674 -1.485 -0.595 418 H GLN 54 H GLN 54 19.948 -1.333 -5.525 419 HA GLN 54 HA GLN 54 20.603 -0.927 -7.635 420 1HB GLN 54 2HB GLN 54 19.635 1.341 -7.055 421 2HB GLN 54 1HB GLN 54 21.286 1.880 -6.765 422 1HG GLN 54 2HG GLN 54 20.487 2.484 -9.005 423 2HG GLN 54 1HG GLN 54 21.881 1.406 -9.063 424 1HE2 GLN 54 1HE2 GLN 54 18.455 1.693 -9.609 425 2HE2 GLN 54 2HE2 GLN 54 18.271 0.230 -10.518 426 H GLY 55 H GLY 55 22.303 -2.398 -7.294 427 1HA GLY 55 2HA GLY 55 24.930 -1.122 -7.589 428 2HA GLY 55 1HA GLY 55 24.729 -2.379 -6.368 429 H THR 56 H THR 56 25.245 -1.695 -9.650 430 HA THR 56 HA THR 56 25.629 -4.472 -10.253 431 HB THR 56 HB THR 56 23.833 -2.936 -12.066 432 HG1 THR 56 1HG THR 56 23.226 -4.291 -9.714 433 1HG2 THR 56 1HG2 THR 56 24.376 -5.879 -11.755 434 2HG2 THR 56 2HG2 THR 56 25.019 -4.840 -13.029 435 3HG2 THR 56 3HG2 THR 56 23.285 -5.158 -12.934 436 H THR 57 H THR 57 27.555 -4.359 -10.941 437 HA THR 57 HA THR 57 28.263 -2.463 -13.077 438 HB THR 57 HB THR 57 30.128 -3.494 -10.917 439 HG1 THR 57 1HG THR 57 28.428 -1.342 -11.036 440 1HG2 THR 57 1HG2 THR 57 31.238 -3.017 -13.065 441 2HG2 THR 57 2HG2 THR 57 31.720 -1.873 -11.815 442 3HG2 THR 57 3HG2 THR 57 30.556 -1.388 -13.049 443 HA PRO 58 HA PRO 58 28.868 -6.229 -15.348 444 1HB PRO 58 2HB PRO 58 30.422 -5.222 -17.369 445 2HB PRO 58 1HB PRO 58 28.664 -5.065 -17.289 446 1HG PRO 58 2HG PRO 58 30.780 -3.091 -16.537 447 2HG PRO 58 1HG PRO 58 29.244 -2.824 -17.382 448 1HD PRO 58 2HD PRO 58 29.554 -2.249 -14.766 449 2HD PRO 58 1HD PRO 58 28.015 -2.842 -15.424 450 H SER 59 H SER 59 30.254 -6.822 -13.375 451 HA SER 59 HA SER 59 33.088 -6.862 -13.729 452 1HB SER 59 2HB SER 59 32.837 -8.730 -11.943 453 2HB SER 59 1HB SER 59 32.355 -7.091 -11.497 454 HG SER 59 HG SER 59 30.759 -9.340 -12.063 455 H ALA 60 H ALA 60 30.421 -8.742 -14.821 456 HA ALA 60 HA ALA 60 31.783 -11.134 -15.458 457 1HB ALA 60 1HB ALA 60 29.807 -11.690 -16.748 458 2HB ALA 60 2HB ALA 60 29.262 -10.014 -16.667 459 3HB ALA 60 3HB ALA 60 29.352 -10.985 -15.197 460 H ALA 61 H ALA 61 31.817 -8.067 -16.926 461 HA ALA 61 HA ALA 61 32.057 -8.929 -19.642 462 1HB ALA 61 1HB ALA 61 31.069 -6.767 -19.052 463 2HB ALA 61 2HB ALA 61 32.435 -6.587 -20.152 464 3HB ALA 61 3HB ALA 61 32.632 -6.230 -18.436 465 H VAL 62 H VAL 62 34.173 -9.267 -17.201 466 HA VAL 62 HA VAL 62 36.604 -8.350 -18.338 467 HB VAL 62 HB VAL 62 36.151 -10.525 -16.282 468 1HG1 VAL 62 1HG1 VAL 62 38.678 -9.066 -17.041 469 2HG1 VAL 62 2HG1 VAL 62 38.319 -10.764 -17.358 470 3HG1 VAL 62 3HG1 VAL 62 38.505 -10.197 -15.698 471 1HG2 VAL 62 1HG2 VAL 62 35.326 -8.327 -15.587 472 2HG2 VAL 62 2HG2 VAL 62 36.896 -7.615 -15.955 473 3HG2 VAL 62 3HG2 VAL 62 36.746 -8.796 -14.655 474 H SER 63 H SER 63 34.711 -11.244 -18.691 475 HA SER 63 HA SER 63 36.658 -12.910 -19.857 476 1HB SER 63 2HB SER 63 33.662 -12.911 -20.281 477 2HB SER 63 1HB SER 63 34.757 -14.242 -20.653 478 HG SER 63 HG SER 63 33.724 -14.500 -18.617 479 H GLU 64 H GLU 64 34.369 -10.590 -21.264 480 HA GLU 64 HA GLU 64 35.238 -11.114 -23.947 481 1HB GLU 64 2HB GLU 64 32.955 -10.270 -23.379 482 2HB GLU 64 1HB GLU 64 33.691 -8.742 -22.920 483 1HG GLU 64 2HG GLU 64 32.760 -8.605 -25.147 484 2HG GLU 64 1HG GLU 64 34.516 -8.448 -25.201 485 H ALA 65 H ALA 65 35.974 -8.815 -21.441 486 HA ALA 65 HA ALA 65 37.450 -6.961 -22.938 487 1HB ALA 65 1HB ALA 65 38.388 -6.230 -20.829 488 2HB ALA 65 2HB ALA 65 37.851 -7.717 -20.048 489 3HB ALA 65 3HB ALA 65 36.663 -6.553 -20.639 490 H GLU 66 H GLU 66 38.248 -10.119 -21.778 491 HA GLU 66 HA GLU 66 41.053 -9.968 -21.892 492 1HB GLU 66 2HB GLU 66 39.696 -11.815 -20.866 493 2HB GLU 66 1HB GLU 66 39.341 -12.383 -22.489 494 1HG GLU 66 2HG GLU 66 41.583 -12.969 -22.893 495 2HG GLU 66 1HG GLU 66 42.151 -12.072 -21.485 496 H GLN 67 H GLN 67 38.616 -10.632 -24.358 497 HA GLN 67 HA GLN 67 40.603 -10.932 -26.429 498 1HB GLN 67 2HB GLN 67 37.605 -10.588 -26.562 499 2HB GLN 67 1HB GLN 67 38.619 -10.720 -27.991 500 1HG GLN 67 2HG GLN 67 37.863 -12.879 -27.705 501 2HG GLN 67 1HG GLN 67 39.445 -12.920 -26.931 502 1HE2 GLN 67 1HE2 GLN 67 36.511 -11.491 -25.621 503 2HE2 GLN 67 2HE2 GLN 67 36.382 -12.582 -24.278 504 H ILE 68 H ILE 68 38.479 -8.399 -25.256 505 HA ILE 68 HA ILE 68 38.824 -6.514 -27.269 506 HB ILE 68 HB ILE 68 38.324 -6.051 -24.330 507 1HG1 ILE 68 2HG1 ILE 68 36.434 -6.151 -26.695 508 2HG1 ILE 68 1HG1 ILE 68 36.621 -7.423 -25.490 509 1HG2 ILE 68 1HG2 ILE 68 38.011 -4.152 -26.654 510 2HG2 ILE 68 2HG2 ILE 68 39.187 -4.019 -25.348 511 3HG2 ILE 68 3HG2 ILE 68 37.467 -3.845 -25.004 512 1HD1 ILE 68 1HD1 ILE 68 35.818 -5.883 -23.763 513 2HD1 ILE 68 2HD1 ILE 68 34.640 -6.103 -25.057 514 3HD1 ILE 68 3HD1 ILE 68 35.610 -4.631 -24.989 515 H ARG 69 H ARG 69 40.779 -7.013 -24.341 516 HA ARG 69 HA ARG 69 42.422 -4.777 -24.605 517 1HB ARG 69 2HB ARG 69 44.103 -6.083 -23.266 518 2HB ARG 69 1HB ARG 69 42.498 -6.001 -22.554 519 1HG ARG 69 2HG ARG 69 42.019 -8.254 -23.383 520 2HG ARG 69 1HG ARG 69 43.634 -8.333 -24.084 521 1HD ARG 69 2HD ARG 69 43.225 -7.800 -21.163 522 2HD ARG 69 1HD ARG 69 43.231 -9.441 -21.801 523 HE ARG 69 HE ARG 69 45.520 -7.639 -22.244 524 1HH1 ARG 69 1HH1 ARG 69 44.183 -10.622 -20.996 525 2HH1 ARG 69 2HH1 ARG 69 45.727 -11.337 -20.664 526 1HH2 ARG 69 1HH2 ARG 69 47.581 -8.580 -21.820 527 2HH2 ARG 69 2HH2 ARG 69 47.662 -10.183 -21.143 528 H GLN 70 H GLN 70 42.803 -7.998 -26.020 529 HA GLN 70 HA GLN 70 45.352 -7.367 -27.178 530 1HB GLN 70 2HB GLN 70 43.912 -9.663 -26.524 531 2HB GLN 70 1HB GLN 70 44.003 -9.678 -28.274 532 1HG GLN 70 2HG GLN 70 46.359 -9.432 -26.420 533 2HG GLN 70 1HG GLN 70 45.821 -10.919 -27.195 534 1HE2 GLN 70 1HE2 GLN 70 46.079 -11.159 -29.408 535 2HE2 GLN 70 2HE2 GLN 70 47.186 -10.184 -30.318 536 H LEU 71 H LEU 71 42.025 -7.229 -28.126 537 HA LEU 71 HA LEU 71 42.554 -7.177 -30.957 538 1HB LEU 71 2HB LEU 71 40.484 -8.145 -30.063 539 2HB LEU 71 1HB LEU 71 40.025 -6.581 -29.420 540 HG LEU 71 HG LEU 71 39.928 -5.691 -31.733 541 1HD1 LEU 71 1HD1 LEU 71 40.362 -8.567 -32.528 542 2HD1 LEU 71 2HD1 LEU 71 41.498 -7.241 -32.778 543 3HD1 LEU 71 3HD1 LEU 71 39.945 -7.240 -33.614 544 1HD2 LEU 71 1HD2 LEU 71 38.214 -8.116 -31.215 545 2HD2 LEU 71 2HD2 LEU 71 37.854 -6.821 -32.356 546 3HD2 LEU 71 3HD2 LEU 71 37.909 -6.483 -30.626 547 H LYS 72 H LYS 72 41.605 -4.807 -28.488 548 HA LYS 72 HA LYS 72 41.339 -2.684 -30.379 549 1HB LYS 72 2HB LYS 72 40.053 -2.686 -28.300 550 2HB LYS 72 1HB LYS 72 41.540 -2.581 -27.368 551 1HG LYS 72 2HG LYS 72 42.005 -0.399 -28.271 552 2HG LYS 72 1HG LYS 72 40.603 -0.512 -29.336 553 1HD LYS 72 2HD LYS 72 39.145 -0.635 -27.348 554 2HD LYS 72 1HD LYS 72 40.565 -0.429 -26.323 555 1HE LYS 72 2HE LYS 72 39.326 1.677 -26.687 556 2HE LYS 72 1HE LYS 72 40.991 1.744 -27.267 557 1HZ LYS 72 1HZ LYS 72 38.676 1.155 -29.030 558 2HZ LYS 72 2HZ LYS 72 40.268 1.515 -29.499 559 3HZ LYS 72 3HZ LYS 72 39.303 2.714 -28.801 560 H LYS 73 H LYS 73 43.824 -3.643 -28.064 561 HA LYS 73 HA LYS 73 45.543 -1.446 -28.760 562 1HB LYS 73 2HB LYS 73 46.129 -3.992 -27.230 563 2HB LYS 73 1HB LYS 73 47.210 -2.612 -27.361 564 1HG LYS 73 2HG LYS 73 45.664 -1.214 -26.161 565 2HG LYS 73 1HG LYS 73 44.460 -2.502 -26.135 566 1HD LYS 73 2HD LYS 73 45.545 -2.386 -23.988 567 2HD LYS 73 1HD LYS 73 46.028 -3.877 -24.797 568 1HE LYS 73 2HE LYS 73 48.121 -2.806 -25.491 569 2HE LYS 73 1HE LYS 73 47.636 -1.327 -24.666 570 1HZ LYS 73 1HZ LYS 73 48.080 -3.956 -23.361 571 2HZ LYS 73 2HZ LYS 73 47.626 -2.535 -22.572 572 3HZ LYS 73 3HZ LYS 73 49.150 -2.645 -23.314 573 H GLU 74 H GLU 74 46.015 -1.459 -30.876 574 HA GLU 74 HA GLU 74 46.479 -3.987 -32.237 575 1HB GLU 74 2HB GLU 74 46.238 -2.615 -34.290 576 2HB GLU 74 1HB GLU 74 44.852 -2.493 -33.212 577 1HG GLU 74 2HG GLU 74 45.754 -0.367 -32.346 578 2HG GLU 74 1HG GLU 74 47.073 -0.482 -33.508 579 H ASN 75 H ASN 75 48.210 -4.387 -33.583 580 HA ASN 75 HA ASN 75 50.315 -4.397 -34.375 581 1HB ASN 75 2HB ASN 75 49.882 -1.408 -34.465 582 2HB ASN 75 1HB ASN 75 51.019 -2.336 -35.430 583 1HD2 ASN 75 1HD2 ASN 75 48.841 -0.603 -36.266 584 2HD2 ASN 75 2HD2 ASN 75 47.797 -1.584 -37.245 585 H ALA 76 H ALA 76 52.266 -2.239 -34.171 586 HA ALA 76 HA ALA 76 53.630 -3.142 -31.886 587 1HB ALA 76 1HB ALA 76 55.362 -1.571 -32.515 588 2HB ALA 76 2HB ALA 76 54.251 -0.759 -33.618 589 3HB ALA 76 3HB ALA 76 54.758 -2.418 -33.939 590 H LEU 77 H LEU 77 51.516 -0.436 -32.431 591 HA LEU 77 HA LEU 77 52.500 1.257 -30.434 592 1HB LEU 77 2HB LEU 77 50.416 2.460 -30.627 593 2HB LEU 77 1HB LEU 77 51.054 2.061 -32.199 594 HG LEU 77 HG LEU 77 49.370 0.038 -32.018 595 1HD1 LEU 77 1HD1 LEU 77 48.648 0.465 -29.738 596 2HD1 LEU 77 2HD1 LEU 77 47.304 0.678 -30.860 597 3HD1 LEU 77 3HD1 LEU 77 48.124 2.088 -30.190 598 1HD2 LEU 77 1HD2 LEU 77 49.332 1.784 -33.724 599 2HD2 LEU 77 2HD2 LEU 77 48.492 2.860 -32.609 600 3HD2 LEU 77 3HD2 LEU 77 47.705 1.386 -33.174 601 H GLN 78 H GLN 78 50.398 -1.538 -30.230 602 HA GLN 78 HA GLN 78 49.320 -1.168 -27.692 603 1HB GLN 78 2HB GLN 78 48.592 -3.092 -28.853 604 2HB GLN 78 1HB GLN 78 50.238 -3.654 -29.124 605 1HG GLN 78 2HG GLN 78 50.497 -4.274 -26.849 606 2HG GLN 78 1HG GLN 78 49.006 -3.460 -26.388 607 1HE2 GLN 78 1HE2 GLN 78 49.248 -5.415 -29.269 608 2HE2 GLN 78 2HE2 GLN 78 48.233 -6.695 -28.705 609 H ARG 79 H ARG 79 52.457 -2.535 -28.590 610 HA ARG 79 HA ARG 79 53.259 -3.002 -25.900 611 1HB ARG 79 2HB ARG 79 54.737 -3.014 -28.525 612 2HB ARG 79 1HB ARG 79 55.521 -3.383 -26.993 613 1HG ARG 79 2HG ARG 79 54.254 -5.329 -26.687 614 2HG ARG 79 1HG ARG 79 53.077 -4.857 -27.913 615 1HD ARG 79 2HD ARG 79 55.967 -5.446 -28.519 616 2HD ARG 79 1HD ARG 79 54.694 -6.665 -28.587 617 HE ARG 79 HE ARG 79 54.304 -4.254 -30.177 618 1HH1 ARG 79 1HH1 ARG 79 55.215 -7.630 -30.064 619 2HH1 ARG 79 2HH1 ARG 79 55.045 -7.871 -31.781 620 1HH2 ARG 79 1HH2 ARG 79 54.007 -4.587 -32.434 621 2HH2 ARG 79 2HH2 ARG 79 54.294 -6.157 -33.116 622 H ALA 80 H ALA 80 53.323 -0.312 -27.991 623 HA ALA 80 HA ALA 80 55.435 1.093 -26.642 624 1HB ALA 80 1HB ALA 80 55.011 1.497 -29.013 625 2HB ALA 80 2HB ALA 80 54.834 2.981 -28.074 626 3HB ALA 80 3HB ALA 80 53.402 2.107 -28.622 627 H ARG 81 H ARG 81 51.931 1.088 -26.594 628 HA ARG 81 HA ARG 81 51.731 3.342 -24.829 629 1HB ARG 81 2HB ARG 81 49.670 1.300 -25.644 630 2HB ARG 81 1HB ARG 81 49.331 2.746 -24.712 631 1HG ARG 81 2HG ARG 81 50.400 2.668 -27.525 632 2HG ARG 81 1HG ARG 81 48.738 3.026 -27.060 633 1HD ARG 81 2HD ARG 81 51.172 4.651 -26.319 634 2HD ARG 81 1HD ARG 81 50.003 5.063 -27.570 635 HE ARG 81 HE ARG 81 49.703 5.386 -24.721 636 1HH1 ARG 81 1HH1 ARG 81 48.020 5.114 -27.788 637 2HH1 ARG 81 2HH1 ARG 81 46.593 5.939 -27.219 638 1HH2 ARG 81 1HH2 ARG 81 47.877 6.511 -23.987 639 2HH2 ARG 81 2HH2 ARG 81 46.535 6.771 -25.062 640 H THR 82 H THR 82 51.977 -0.062 -24.481 641 HA THR 82 HA THR 82 51.152 -0.164 -21.736 642 HB THR 82 HB THR 82 52.830 -2.192 -23.227 643 HG1 THR 82 1HG THR 82 50.996 -2.025 -24.431 644 1HG2 THR 82 1HG2 THR 82 52.712 -2.500 -20.783 645 2HG2 THR 82 2HG2 THR 82 51.877 -3.791 -21.649 646 3HG2 THR 82 3HG2 THR 82 50.951 -2.502 -20.881 647 H ARG 83 H ARG 83 53.965 0.719 -23.423 648 HA ARG 83 HA ARG 83 55.783 0.294 -21.210 649 1HB ARG 83 2HB ARG 83 56.504 0.016 -23.564 650 2HB ARG 83 1HB ARG 83 56.223 1.726 -23.837 651 1HG ARG 83 2HG ARG 83 57.944 2.245 -22.161 652 2HG ARG 83 1HG ARG 83 58.244 0.515 -21.964 653 1HD ARG 83 2HD ARG 83 58.677 0.454 -24.464 654 2HD ARG 83 1HD ARG 83 58.702 2.216 -24.403 655 HE ARG 83 HE ARG 83 60.454 1.211 -22.455 656 1HH1 ARG 83 1HH1 ARG 83 60.185 1.551 -25.938 657 2HH1 ARG 83 2HH1 ARG 83 61.901 1.420 -26.201 658 1HH2 ARG 83 1HH2 ARG 83 62.683 1.062 -22.801 659 2HH2 ARG 83 2HH2 ARG 83 63.319 1.171 -24.413 660 H HIS 84 H HIS 84 56.137 1.739 -19.660 661 HA HIS 84 HA HIS 84 54.865 4.357 -19.975 662 1HB HIS 84 2HB HIS 84 54.948 4.591 -17.561 663 2HB HIS 84 1HB HIS 84 54.221 3.050 -17.982 664 HD1 HIS 84 1HD HIS 84 55.501 0.911 -17.322 665 HD2 HIS 84 2HD HIS 84 57.399 4.431 -16.182 666 HE1 HIS 84 1HE HIS 84 57.283 0.223 -15.687 667 HE2 HIS 84 2HE HIS 84 58.540 2.344 -15.161 668 HA PRO 85 HA PRO 85 58.955 6.168 -20.089 669 1HB PRO 85 2HB PRO 85 58.252 8.406 -21.362 670 2HB PRO 85 1HB PRO 85 58.319 6.866 -22.227 671 1HG PRO 85 2HG PRO 85 55.958 8.389 -21.246 672 2HG PRO 85 1HG PRO 85 56.130 7.394 -22.701 673 1HD PRO 85 2HD PRO 85 54.961 6.610 -20.257 674 2HD PRO 85 1HD PRO 85 55.401 5.547 -21.605 675 H ALA 86 H ALA 86 59.548 8.601 -19.510 676 HA ALA 86 HA ALA 86 58.447 9.168 -16.923 677 1HB ALA 86 1HB ALA 86 60.796 9.585 -17.340 678 2HB ALA 86 2HB ALA 86 59.980 11.098 -16.941 679 3HB ALA 86 3HB ALA 86 60.392 10.732 -18.618 680 H GLU 87 H GLU 87 56.493 10.052 -16.740 681 HA GLU 87 HA GLU 87 55.037 11.231 -18.795 682 1HB GLU 87 2HB GLU 87 54.287 10.308 -16.482 683 2HB GLU 87 1HB GLU 87 54.580 11.946 -15.912 684 1HG GLU 87 2HG GLU 87 52.297 11.864 -16.396 685 2HG GLU 87 1HG GLU 87 53.021 12.711 -17.760 686 H SER 88 H SER 88 56.979 12.707 -16.230 687 HA SER 88 HA SER 88 56.321 15.386 -16.869 688 1HB SER 88 2HB SER 88 58.675 14.255 -15.352 689 2HB SER 88 1HB SER 88 58.222 15.963 -15.392 690 HG SER 88 HG SER 88 56.020 14.702 -14.791 691 H CYS 89 H CYS 89 58.588 13.157 -18.213 692 HA CYS 89 HA CYS 89 60.332 14.974 -19.494 693 1HB CYS 89 2HB CYS 89 60.854 12.583 -19.288 694 2HB CYS 89 1HB CYS 89 59.490 12.185 -20.322 695 HG CYS 89 HG CYS 89 62.019 14.141 -21.502 696 H LEU 90 H LEU 90 57.117 13.928 -20.135 697 HA LEU 90 HA LEU 90 57.062 15.265 -22.732 698 1HB LEU 90 2HB LEU 90 55.952 13.098 -22.556 699 2HB LEU 90 1HB LEU 90 54.954 13.697 -21.246 700 HG LEU 90 HG LEU 90 53.916 15.312 -22.815 701 1HD1 LEU 90 1HD1 LEU 90 54.250 15.030 -25.211 702 2HD1 LEU 90 2HD1 LEU 90 55.486 13.810 -24.904 703 3HD1 LEU 90 3HD1 LEU 90 55.758 15.481 -24.410 704 1HD2 LEU 90 1HD2 LEU 90 53.765 12.419 -23.654 705 2HD2 LEU 90 2HD2 LEU 90 52.568 13.663 -24.013 706 3HD2 LEU 90 3HD2 LEU 90 52.852 13.169 -22.344 707 H GLU 91 H GLU 91 55.849 15.540 -19.466 708 HA GLU 91 HA GLU 91 53.920 17.513 -19.814 709 1HB GLU 91 2HB GLU 91 55.638 16.905 -17.411 710 2HB GLU 91 1HB GLU 91 54.262 17.996 -17.382 711 1HG GLU 91 2HG GLU 91 52.788 16.160 -18.023 712 2HG GLU 91 1HG GLU 91 54.169 15.065 -18.057 713 H HIS 92 H HIS 92 57.418 17.875 -19.486 714 HA HIS 92 HA HIS 92 57.327 20.649 -18.851 715 1HB HIS 92 2HB HIS 92 59.650 20.656 -18.954 716 2HB HIS 92 1HB HIS 92 59.309 18.977 -18.571 717 HD1 HIS 92 1HD HIS 92 61.341 20.959 -20.707 718 HD2 HIS 92 2HD HIS 92 59.284 17.369 -21.144 719 HE1 HIS 92 1HE HIS 92 62.383 19.814 -22.695 720 HE2 HIS 92 2HE HIS 92 61.037 17.703 -23.016 721 H HIS 93 H HIS 93 57.417 22.448 -20.141 722 HA HIS 93 HA HIS 93 56.641 21.958 -22.906 723 1HB HIS 93 2HB HIS 93 55.373 23.515 -21.282 724 2HB HIS 93 1HB HIS 93 56.678 24.660 -21.579 725 HD1 HIS 93 1HD HIS 93 56.412 26.116 -23.601 726 HD2 HIS 93 2HD HIS 93 53.963 22.765 -23.736 727 HE1 HIS 93 1HE HIS 93 54.965 26.417 -25.630 728 HE2 HIS 93 2HE HIS 93 53.344 24.490 -25.558 729 H HIS 94 H HIS 94 58.242 24.888 -21.851 730 HA HIS 94 HA HIS 94 60.044 26.020 -22.605 731 1HB HIS 94 2HB HIS 94 61.278 24.087 -21.656 732 2HB HIS 94 1HB HIS 94 61.194 23.287 -23.221 733 HD1 HIS 94 1HD HIS 94 62.492 26.595 -21.845 734 HD2 HIS 94 2HD HIS 94 63.394 23.735 -24.727 735 HE1 HIS 94 1HE HIS 94 64.673 27.327 -22.868 736 HE2 HIS 94 2HE HIS 94 65.299 25.471 -24.461 737 H HIS 95 H HIS 95 59.802 27.229 -24.366 738 HA HIS 95 HA HIS 95 58.724 26.427 -26.784 739 1HB HIS 95 2HB HIS 95 59.530 28.504 -27.741 740 2HB HIS 95 1HB HIS 95 58.984 28.800 -26.098 741 HD1 HIS 95 1HD HIS 95 61.912 29.148 -28.319 742 HD2 HIS 95 2HD HIS 95 61.146 29.226 -24.221 743 HE1 HIS 95 1HE HIS 95 63.935 30.206 -27.261 744 HE2 HIS 95 2HE HIS 95 63.468 30.214 -24.779 745 H HIS 96 H HIS 96 59.418 25.143 -28.355 746 HA HIS 96 HA HIS 96 62.217 24.464 -28.546 747 1HB HIS 96 2HB HIS 96 61.611 22.968 -30.354 748 2HB HIS 96 1HB HIS 96 60.486 22.748 -29.025 749 HD1 HIS 96 1HD HIS 96 60.548 22.975 -32.558 750 HD2 HIS 96 2HD HIS 96 57.967 24.330 -29.592 751 HE1 HIS 96 1HE HIS 96 58.351 23.400 -33.707 752 HE2 HIS 96 2HE HIS 96 56.750 23.968 -31.845 753 H HIS 97 H HIS 97 63.678 25.387 -29.803 754 HA HIS 97 HA HIS 97 64.668 26.898 -31.178 755 1HB HIS 97 2HB HIS 97 63.242 26.328 -33.033 756 2HB HIS 97 1HB HIS 97 61.893 27.221 -32.343 757 HD1 HIS 97 1HD HIS 97 61.724 29.678 -32.881 758 HD2 HIS 97 2HD HIS 97 65.334 28.006 -34.091 759 HE1 HIS 97 1HE HIS 97 62.841 31.427 -34.306 760 HE2 HIS 97 2HE HIS 97 65.106 30.467 -34.854 Start of MODEL 10 1 1H MET 1 1HT MET 1 -7.007 12.447 -4.946 2 2H MET 1 2HT MET 1 -7.227 11.784 -3.405 3 3H MET 1 3HT MET 1 -6.790 10.783 -4.702 4 HA MET 1 HA MET 1 -5.146 12.926 -3.491 5 1HB MET 1 2HB MET 1 -4.893 9.913 -3.466 6 2HB MET 1 1HB MET 1 -3.629 11.010 -2.924 7 1HG MET 1 2HG MET 1 -6.391 10.771 -1.743 8 2HG MET 1 1HG MET 1 -4.906 10.111 -1.056 9 1HE MET 1 1HE MET 1 -5.793 13.033 1.394 10 2HE MET 1 2HE MET 1 -5.428 11.315 1.251 11 3HE MET 1 3HE MET 1 -6.919 11.957 0.564 12 HA PRO 2 HA PRO 2 -3.696 12.854 -7.779 13 1HB PRO 2 2HB PRO 2 -2.275 15.277 -6.941 14 2HB PRO 2 1HB PRO 2 -3.462 15.070 -8.232 15 1HG PRO 2 2HG PRO 2 -4.048 16.415 -5.980 16 2HG PRO 2 1HG PRO 2 -5.254 15.427 -6.824 17 1HD PRO 2 2HD PRO 2 -3.654 14.776 -4.375 18 2HD PRO 2 1HD PRO 2 -5.374 14.479 -4.708 19 H THR 3 H THR 3 -1.743 13.736 -4.997 20 HA THR 3 HA THR 3 0.608 12.487 -6.191 21 HB THR 3 HB THR 3 1.761 13.365 -4.119 22 HG1 THR 3 1HG THR 3 -0.090 13.602 -2.813 23 1HG2 THR 3 1HG2 THR 3 1.795 15.696 -4.897 24 2HG2 THR 3 2HG2 THR 3 0.361 15.382 -5.875 25 3HG2 THR 3 3HG2 THR 3 1.879 14.566 -6.249 26 H LYS 4 H LYS 4 0.646 10.343 -5.928 27 HA LYS 4 HA LYS 4 -0.194 9.219 -3.375 28 1HB LYS 4 2HB LYS 4 -1.589 8.519 -5.227 29 2HB LYS 4 1HB LYS 4 -0.172 8.056 -6.160 30 1HG LYS 4 2HG LYS 4 0.333 6.416 -4.307 31 2HG LYS 4 1HG LYS 4 -1.298 6.751 -3.716 32 1HD LYS 4 2HD LYS 4 -0.668 5.871 -6.511 33 2HD LYS 4 1HD LYS 4 -1.094 4.786 -5.209 34 1HE LYS 4 2HE LYS 4 -3.229 6.018 -4.926 35 2HE LYS 4 1HE LYS 4 -2.801 6.994 -6.329 36 1HZ LYS 4 1HZ LYS 4 -3.379 4.085 -6.253 37 2HZ LYS 4 2HZ LYS 4 -2.688 4.852 -7.598 38 3HZ LYS 4 3HZ LYS 4 -4.233 5.293 -7.077 39 H THR 5 H THR 5 1.464 8.725 -2.216 40 HA THR 5 HA THR 5 4.012 7.995 -3.467 41 HB THR 5 HB THR 5 3.721 8.470 -0.525 42 HG1 THR 5 1HG THR 5 2.685 10.268 -1.416 43 1HG2 THR 5 1HG2 THR 5 5.880 7.736 -1.419 44 2HG2 THR 5 2HG2 THR 5 5.986 9.379 -0.786 45 3HG2 THR 5 3HG2 THR 5 5.892 9.109 -2.527 46 H TYR 6 H TYR 6 5.250 6.235 -2.510 47 HA TYR 6 HA TYR 6 3.624 4.212 -1.170 48 1HB TYR 6 2HB TYR 6 4.960 2.554 -2.730 49 2HB TYR 6 1HB TYR 6 3.455 3.287 -3.267 50 HD1 TYR 6 1HD TYR 6 3.439 4.954 -5.024 51 HD2 TYR 6 2HD TYR 6 7.103 3.249 -3.690 52 HE1 TYR 6 1HE TYR 6 4.576 5.853 -7.009 53 HE2 TYR 6 2HE TYR 6 8.250 4.144 -5.670 54 HH TYR 6 HH TYR 6 6.850 6.483 -7.694 55 H SER 7 H SER 7 4.590 4.040 0.720 56 HA SER 7 HA SER 7 7.385 4.441 1.133 57 1HB SER 7 2HB SER 7 5.324 3.195 2.971 58 2HB SER 7 1HB SER 7 6.896 3.835 3.451 59 HG SER 7 HG SER 7 6.178 5.898 2.702 60 H GLU 8 H GLU 8 8.761 2.762 2.248 61 HA GLU 8 HA GLU 8 9.100 0.505 0.636 62 1HB GLU 8 2HB GLU 8 10.076 0.922 3.466 63 2HB GLU 8 1HB GLU 8 10.641 -0.338 2.383 64 1HG GLU 8 2HG GLU 8 12.283 1.305 2.292 65 2HG GLU 8 1HG GLU 8 11.339 1.539 0.822 66 H GLU 9 H GLU 9 7.334 0.923 3.639 67 HA GLU 9 HA GLU 9 6.857 -1.756 4.237 68 1HB GLU 9 2HB GLU 9 5.375 0.788 4.853 69 2HB GLU 9 1HB GLU 9 4.843 -0.769 5.447 70 1HG GLU 9 2HG GLU 9 7.476 0.555 6.016 71 2HG GLU 9 1HG GLU 9 6.131 0.346 7.140 72 H PHE 10 H PHE 10 5.302 0.421 1.977 73 HA PHE 10 HA PHE 10 3.023 -1.248 1.522 74 1HB PHE 10 2HB PHE 10 3.080 1.210 1.062 75 2HB PHE 10 1HB PHE 10 4.184 0.897 -0.273 76 HD1 PHE 10 1HD PHE 10 0.784 0.091 0.986 77 HD2 PHE 10 2HD PHE 10 3.351 0.415 -2.394 78 HE1 PHE 10 1HE PHE 10 -1.143 -0.247 -0.505 79 HE2 PHE 10 2HE PHE 10 1.426 0.076 -3.890 80 HZ PHE 10 HZ PHE 10 -0.824 -0.255 -2.945 81 H LYS 11 H LYS 11 6.214 -0.890 0.142 82 HA LYS 11 HA LYS 11 5.768 -2.638 -2.080 83 1HB LYS 11 2HB LYS 11 8.392 -1.807 -0.825 84 2HB LYS 11 1HB LYS 11 8.165 -2.471 -2.437 85 1HG LYS 11 2HG LYS 11 6.949 -0.494 -3.118 86 2HG LYS 11 1HG LYS 11 7.070 0.167 -1.485 87 1HD LYS 11 2HD LYS 11 9.545 0.111 -1.714 88 2HD LYS 11 1HD LYS 11 9.338 -0.399 -3.388 89 1HE LYS 11 2HE LYS 11 8.168 1.656 -3.902 90 2HE LYS 11 1HE LYS 11 8.259 2.158 -2.215 91 1HZ LYS 11 1HZ LYS 11 10.649 2.283 -2.386 92 2HZ LYS 11 2HZ LYS 11 9.947 3.236 -3.598 93 3HZ LYS 11 3HZ LYS 11 10.608 1.722 -3.984 94 H ARG 12 H ARG 12 7.219 -2.966 1.141 95 HA ARG 12 HA ARG 12 7.980 -5.684 0.774 96 1HB ARG 12 2HB ARG 12 8.471 -5.716 3.141 97 2HB ARG 12 1HB ARG 12 9.034 -4.201 2.466 98 1HG ARG 12 2HG ARG 12 8.075 -3.444 4.385 99 2HG ARG 12 1HG ARG 12 6.680 -3.362 3.310 100 1HD ARG 12 2HD ARG 12 5.976 -5.588 4.113 101 2HD ARG 12 1HD ARG 12 7.323 -5.576 5.251 102 HE ARG 12 HE ARG 12 6.244 -3.538 6.226 103 1HH1 ARG 12 1HH1 ARG 12 4.365 -5.940 4.504 104 2HH1 ARG 12 2HH1 ARG 12 2.862 -5.506 5.251 105 1HH2 ARG 12 1HH2 ARG 12 4.300 -2.986 7.256 106 2HH2 ARG 12 2HH2 ARG 12 2.824 -3.803 6.834 107 H ASP 13 H ASP 13 5.029 -4.114 1.600 108 HA ASP 13 HA ASP 13 3.727 -6.327 2.831 109 1HB ASP 13 2HB ASP 13 3.008 -3.881 2.932 110 2HB ASP 13 1HB ASP 13 2.379 -4.093 1.301 111 H ALA 14 H ALA 14 3.923 -5.062 -0.463 112 HA ALA 14 HA ALA 14 2.273 -6.928 -1.742 113 1HB ALA 14 1HB ALA 14 4.730 -5.548 -2.826 114 2HB ALA 14 2HB ALA 14 3.090 -4.900 -2.834 115 3HB ALA 14 3HB ALA 14 3.475 -6.333 -3.785 116 H VAL 15 H VAL 15 5.702 -7.052 -0.893 117 HA VAL 15 HA VAL 15 6.341 -9.492 -2.136 118 HB VAL 15 HB VAL 15 7.530 -8.371 0.413 119 1HG1 VAL 15 1HG1 VAL 15 8.614 -10.374 -1.562 120 2HG1 VAL 15 2HG1 VAL 15 8.105 -10.702 0.094 121 3HG1 VAL 15 3HG1 VAL 15 9.514 -9.685 -0.210 122 1HG2 VAL 15 1HG2 VAL 15 9.256 -7.422 -1.057 123 2HG2 VAL 15 2HG2 VAL 15 7.660 -6.739 -1.360 124 3HG2 VAL 15 3HG2 VAL 15 8.325 -7.945 -2.458 125 H ALA 16 H ALA 16 5.169 -8.787 1.141 126 HA ALA 16 HA ALA 16 5.132 -11.469 2.045 127 1HB ALA 16 1HB ALA 16 3.744 -10.651 3.868 128 2HB ALA 16 2HB ALA 16 3.456 -9.145 2.993 129 3HB ALA 16 3HB ALA 16 5.078 -9.543 3.559 130 H LEU 17 H LEU 17 2.856 -9.515 0.254 131 HA LEU 17 HA LEU 17 0.626 -11.242 0.490 132 1HB LEU 17 2HB LEU 17 1.370 -9.140 -1.530 133 2HB LEU 17 1HB LEU 17 -0.126 -10.047 -1.636 134 HG LEU 17 HG LEU 17 0.657 -8.356 0.737 135 1HD1 LEU 17 1HD1 LEU 17 -1.006 -6.755 -0.100 136 2HD1 LEU 17 2HD1 LEU 17 -1.173 -7.713 -1.573 137 3HD1 LEU 17 3HD1 LEU 17 0.364 -6.931 -1.196 138 1HD2 LEU 17 1HD2 LEU 17 -1.973 -9.617 -0.038 139 2HD2 LEU 17 2HD2 LEU 17 -1.680 -8.600 1.373 140 3HD2 LEU 17 3HD2 LEU 17 -0.897 -10.175 1.246 141 H TYR 18 H TYR 18 3.368 -11.159 -1.706 142 HA TYR 18 HA TYR 18 2.319 -13.047 -3.556 143 1HB TYR 18 2HB TYR 18 4.170 -11.479 -4.101 144 2HB TYR 18 1HB TYR 18 5.218 -12.373 -3.003 145 HD1 TYR 18 1HD TYR 18 6.573 -14.029 -3.899 146 HD2 TYR 18 2HD TYR 18 3.007 -12.968 -5.957 147 HE1 TYR 18 1HE TYR 18 7.164 -15.581 -5.712 148 HE2 TYR 18 2HE TYR 18 3.594 -14.507 -7.783 149 HH TYR 18 HH TYR 18 6.041 -16.843 -7.499 150 H GLU 19 H GLU 19 3.946 -13.300 -0.502 151 HA GLU 19 HA GLU 19 4.587 -16.078 -0.694 152 1HB GLU 19 2HB GLU 19 4.409 -14.101 1.550 153 2HB GLU 19 1HB GLU 19 4.531 -15.815 1.916 154 1HG GLU 19 2HG GLU 19 6.485 -14.282 0.219 155 2HG GLU 19 1HG GLU 19 6.706 -14.662 1.929 156 H ASN 20 H ASN 20 1.723 -14.334 -0.199 157 HA ASN 20 HA ASN 20 0.338 -16.744 0.754 158 1HB ASN 20 2HB ASN 20 -0.330 -13.813 1.026 159 2HB ASN 20 1HB ASN 20 -1.485 -15.089 1.371 160 1HD2 ASN 20 1HD2 ASN 20 1.421 -13.496 2.393 161 2HD2 ASN 20 2HD2 ASN 20 1.496 -14.204 3.968 162 H SER 21 H SER 21 1.166 -16.252 -1.939 163 HA SER 21 HA SER 21 -0.890 -15.200 -3.558 164 1HB SER 21 2HB SER 21 0.362 -16.545 -5.361 165 2HB SER 21 1HB SER 21 1.245 -15.282 -4.510 166 HG SER 21 HG SER 21 2.530 -16.727 -3.702 167 H ASP 22 H ASP 22 -0.626 -18.119 -1.904 168 HA ASP 22 HA ASP 22 -1.957 -19.977 -3.461 169 1HB ASP 22 2HB ASP 22 -0.914 -20.451 -1.256 170 2HB ASP 22 1HB ASP 22 -2.247 -19.611 -0.470 171 H GLY 23 H GLY 23 -3.231 -17.261 -1.690 172 1HA GLY 23 2HA GLY 23 -5.907 -17.903 -2.768 173 2HA GLY 23 1HA GLY 23 -5.672 -17.126 -1.210 174 H ALA 24 H ALA 24 -3.468 -16.128 -3.601 175 HA ALA 24 HA ALA 24 -4.988 -14.037 -4.787 176 1HB ALA 24 1HB ALA 24 -4.892 -13.129 -2.512 177 2HB ALA 24 2HB ALA 24 -3.988 -12.128 -3.649 178 3HB ALA 24 3HB ALA 24 -3.131 -13.215 -2.559 179 H SER 25 H SER 25 -4.015 -14.631 -6.670 180 HA SER 25 HA SER 25 -1.215 -15.024 -6.947 181 1HB SER 25 2HB SER 25 -3.282 -14.541 -9.104 182 2HB SER 25 1HB SER 25 -1.683 -15.260 -9.320 183 HG SER 25 HG SER 25 -3.758 -16.625 -8.965 184 H LEU 26 H LEU 26 -0.177 -13.788 -8.957 185 HA LEU 26 HA LEU 26 0.637 -11.322 -8.013 186 1HB LEU 26 2HB LEU 26 1.612 -12.915 -9.839 187 2HB LEU 26 1HB LEU 26 0.667 -11.943 -10.946 188 HG LEU 26 HG LEU 26 3.054 -11.280 -10.807 189 1HD1 LEU 26 1HD1 LEU 26 1.088 -9.198 -9.878 190 2HD1 LEU 26 2HD1 LEU 26 1.422 -9.656 -11.549 191 3HD1 LEU 26 3HD1 LEU 26 2.672 -8.873 -10.581 192 1HD2 LEU 26 1HD2 LEU 26 2.338 -10.431 -8.007 193 2HD2 LEU 26 2HD2 LEU 26 3.859 -10.104 -8.839 194 3HD2 LEU 26 3HD2 LEU 26 3.409 -11.763 -8.444 195 H GLN 27 H GLN 27 -1.679 -11.936 -10.667 196 HA GLN 27 HA GLN 27 -2.229 -9.204 -11.132 197 1HB GLN 27 2HB GLN 27 -2.688 -10.963 -12.798 198 2HB GLN 27 1HB GLN 27 -3.956 -11.603 -11.763 199 1HG GLN 27 2HG GLN 27 -4.899 -10.267 -13.555 200 2HG GLN 27 1HG GLN 27 -5.208 -9.526 -11.987 201 1HE2 GLN 27 1HE2 GLN 27 -4.210 -7.595 -11.460 202 2HE2 GLN 27 2HE2 GLN 27 -3.418 -6.609 -12.642 203 H GLN 28 H GLN 28 -3.573 -11.562 -8.953 204 HA GLN 28 HA GLN 28 -5.976 -10.237 -8.294 205 1HB GLN 28 2HB GLN 28 -4.927 -12.666 -7.727 206 2HB GLN 28 1HB GLN 28 -4.617 -11.847 -6.205 207 1HG GLN 28 2HG GLN 28 -7.330 -11.935 -7.483 208 2HG GLN 28 1HG GLN 28 -6.756 -13.165 -6.363 209 1HE2 GLN 28 1HE2 GLN 28 -8.996 -11.331 -6.143 210 2HE2 GLN 28 2HE2 GLN 28 -8.739 -10.431 -4.691 211 H ILE 29 H ILE 29 -2.749 -10.229 -6.837 212 HA ILE 29 HA ILE 29 -3.307 -8.418 -4.743 213 HB ILE 29 HB ILE 29 -0.686 -9.019 -6.125 214 1HG1 ILE 29 2HG1 ILE 29 -1.723 -10.997 -5.120 215 2HG1 ILE 29 1HG1 ILE 29 -0.286 -10.517 -4.217 216 1HG2 ILE 29 1HG2 ILE 29 -1.197 -7.659 -3.485 217 2HG2 ILE 29 2HG2 ILE 29 -0.534 -6.910 -4.937 218 3HG2 ILE 29 3HG2 ILE 29 0.384 -8.156 -4.089 219 1HD1 ILE 29 1HD1 ILE 29 -3.134 -9.919 -3.436 220 2HD1 ILE 29 2HD1 ILE 29 -1.689 -9.481 -2.525 221 3HD1 ILE 29 3HD1 ILE 29 -2.110 -11.179 -2.746 222 H ALA 30 H ALA 30 -1.796 -7.917 -7.930 223 HA ALA 30 HA ALA 30 -1.352 -5.167 -7.711 224 1HB ALA 30 1HB ALA 30 -0.361 -6.585 -9.455 225 2HB ALA 30 2HB ALA 30 -1.157 -5.161 -10.127 226 3HB ALA 30 3HB ALA 30 -1.949 -6.732 -10.213 227 H ASN 31 H ASN 31 -4.210 -6.954 -8.617 228 HA ASN 31 HA ASN 31 -5.667 -4.849 -9.803 229 1HB ASN 31 2HB ASN 31 -6.058 -7.464 -9.753 230 2HB ASN 31 1HB ASN 31 -7.034 -7.082 -8.341 231 1HD2 ASN 31 1HD2 ASN 31 -7.816 -8.179 -10.894 232 2HD2 ASN 31 2HD2 ASN 31 -9.001 -7.110 -11.555 233 H ASP 32 H ASP 32 -5.383 -6.006 -6.487 234 HA ASP 32 HA ASP 32 -7.484 -4.324 -5.487 235 1HB ASP 32 2HB ASP 32 -6.834 -6.491 -4.412 236 2HB ASP 32 1HB ASP 32 -5.317 -5.744 -3.920 237 H LEU 33 H LEU 33 -3.960 -4.220 -5.558 238 HA LEU 33 HA LEU 33 -3.725 -1.889 -3.948 239 1HB LEU 33 2HB LEU 33 -1.886 -3.457 -5.695 240 2HB LEU 33 1HB LEU 33 -1.400 -1.848 -5.203 241 HG LEU 33 HG LEU 33 -1.591 -2.522 -2.837 242 1HD1 LEU 33 1HD1 LEU 33 -3.287 -4.247 -3.038 243 2HD1 LEU 33 2HD1 LEU 33 -1.838 -4.891 -2.264 244 3HD1 LEU 33 3HD1 LEU 33 -2.174 -5.260 -3.956 245 1HD2 LEU 33 1HD2 LEU 33 0.375 -3.969 -2.799 246 2HD2 LEU 33 2HD2 LEU 33 0.545 -2.683 -3.993 247 3HD2 LEU 33 3HD2 LEU 33 0.150 -4.321 -4.514 248 H GLY 34 H GLY 34 -4.286 -2.421 -7.330 249 1HA GLY 34 2HA GLY 34 -5.145 -0.859 -8.829 250 2HA GLY 34 1HA GLY 34 -4.810 0.411 -7.661 251 H ILE 35 H ILE 35 -2.562 -1.986 -8.892 252 HA ILE 35 HA ILE 35 -1.196 0.072 -10.468 253 HB ILE 35 HB ILE 35 0.989 -0.845 -9.689 254 1HG1 ILE 35 2HG1 ILE 35 -0.690 -2.128 -7.527 255 2HG1 ILE 35 1HG1 ILE 35 0.135 -2.989 -8.817 256 1HG2 ILE 35 1HG2 ILE 35 0.168 1.270 -8.828 257 2HG2 ILE 35 2HG2 ILE 35 1.032 0.387 -7.568 258 3HG2 ILE 35 3HG2 ILE 35 -0.732 0.428 -7.568 259 1HD1 ILE 35 1HD1 ILE 35 2.285 -2.216 -7.950 260 2HD1 ILE 35 2HD1 ILE 35 1.378 -3.137 -6.750 261 3HD1 ILE 35 3HD1 ILE 35 1.446 -1.377 -6.645 262 H ASN 36 H ASN 36 0.119 -0.773 -12.140 263 HA ASN 36 HA ASN 36 -0.956 -3.075 -13.385 264 1HB ASN 36 2HB ASN 36 0.994 -1.034 -14.020 265 2HB ASN 36 1HB ASN 36 1.497 -2.609 -14.589 266 1HD2 ASN 36 1HD2 ASN 36 0.311 -3.641 -16.193 267 2HD2 ASN 36 2HD2 ASN 36 -0.906 -2.823 -17.112 268 H ARG 37 H ARG 37 -0.045 -5.076 -13.771 269 HA ARG 37 HA ARG 37 1.092 -6.180 -11.444 270 1HB ARG 37 2HB ARG 37 0.950 -8.286 -12.621 271 2HB ARG 37 1HB ARG 37 -0.516 -7.361 -12.833 272 1HG ARG 37 2HG ARG 37 0.285 -6.690 -15.074 273 2HG ARG 37 1HG ARG 37 1.676 -7.756 -14.851 274 1HD ARG 37 2HD ARG 37 0.162 -9.660 -14.555 275 2HD ARG 37 1HD ARG 37 -1.221 -8.594 -14.787 276 HE ARG 37 HE ARG 37 0.786 -8.919 -16.921 277 1HH1 ARG 37 1HH1 ARG 37 -2.510 -9.141 -15.757 278 2HH1 ARG 37 2HH1 ARG 37 -3.174 -9.567 -17.306 279 1HH2 ARG 37 1HH2 ARG 37 -0.070 -9.434 -18.966 280 2HH2 ARG 37 2HH2 ARG 37 -1.771 -9.748 -19.147 281 H VAL 38 H VAL 38 2.436 -5.071 -14.429 282 HA VAL 38 HA VAL 38 4.939 -6.366 -14.271 283 HB VAL 38 HB VAL 38 4.304 -3.672 -15.492 284 1HG1 VAL 38 1HG1 VAL 38 6.697 -3.946 -15.151 285 2HG1 VAL 38 2HG1 VAL 38 6.306 -4.052 -16.866 286 3HG1 VAL 38 3HG1 VAL 38 6.650 -5.519 -15.949 287 1HG2 VAL 38 1HG2 VAL 38 4.087 -4.860 -17.595 288 2HG2 VAL 38 2HG2 VAL 38 2.943 -5.498 -16.414 289 3HG2 VAL 38 3HG2 VAL 38 4.415 -6.394 -16.788 290 H THR 39 H THR 39 3.796 -3.235 -13.040 291 HA THR 39 HA THR 39 6.261 -2.412 -11.936 292 HB THR 39 HB THR 39 3.507 -1.606 -10.977 293 HG1 THR 39 1HG THR 39 3.787 0.092 -12.611 294 1HG2 THR 39 1HG2 THR 39 6.146 -0.132 -11.032 295 2HG2 THR 39 2HG2 THR 39 5.369 -0.810 -9.601 296 3HG2 THR 39 3HG2 THR 39 4.609 0.525 -10.467 297 H LEU 40 H LEU 40 3.502 -4.184 -10.622 298 HA LEU 40 HA LEU 40 4.336 -4.317 -7.943 299 1HB LEU 40 2HB LEU 40 2.067 -4.887 -8.692 300 2HB LEU 40 1HB LEU 40 2.694 -6.295 -9.528 301 HG LEU 40 HG LEU 40 3.480 -7.150 -7.286 302 1HD1 LEU 40 1HD1 LEU 40 1.726 -4.908 -6.294 303 2HD1 LEU 40 2HD1 LEU 40 3.470 -5.053 -6.065 304 3HD1 LEU 40 3HD1 LEU 40 2.378 -6.212 -5.304 305 1HD2 LEU 40 1HD2 LEU 40 1.491 -8.025 -8.371 306 2HD2 LEU 40 2HD2 LEU 40 0.524 -6.722 -7.678 307 3HD2 LEU 40 3HD2 LEU 40 1.257 -7.932 -6.626 308 H LYS 41 H LYS 41 4.832 -6.551 -10.652 309 HA LYS 41 HA LYS 41 6.194 -8.585 -9.332 310 1HB LYS 41 2HB LYS 41 5.310 -8.457 -11.746 311 2HB LYS 41 1HB LYS 41 6.844 -7.701 -12.136 312 1HG LYS 41 2HG LYS 41 8.040 -9.677 -11.395 313 2HG LYS 41 1HG LYS 41 6.522 -10.438 -10.920 314 1HD LYS 41 2HD LYS 41 5.772 -10.246 -13.295 315 2HD LYS 41 1HD LYS 41 7.391 -9.679 -13.708 316 1HE LYS 41 2HE LYS 41 8.337 -11.782 -12.881 317 2HE LYS 41 1HE LYS 41 6.720 -12.347 -12.463 318 1HZ LYS 41 1HZ LYS 41 6.126 -12.185 -14.828 319 2HZ LYS 41 2HZ LYS 41 7.401 -13.270 -14.569 320 3HZ LYS 41 3HZ LYS 41 7.715 -11.727 -15.198 321 H ASN 42 H ASN 42 7.355 -5.592 -10.741 322 HA ASN 42 HA ASN 42 10.109 -5.982 -10.494 323 1HB ASN 42 2HB ASN 42 8.333 -3.612 -10.737 324 2HB ASN 42 1HB ASN 42 9.972 -3.323 -10.159 325 1HD2 ASN 42 1HD2 ASN 42 8.022 -4.441 -12.832 326 2HD2 ASN 42 2HD2 ASN 42 9.270 -4.349 -14.026 327 H TRP 43 H TRP 43 7.836 -4.487 -8.178 328 HA TRP 43 HA TRP 43 9.725 -3.801 -6.233 329 1HB TRP 43 2HB TRP 43 6.794 -4.471 -6.022 330 2HB TRP 43 1HB TRP 43 7.746 -4.035 -4.609 331 HD1 TRP 43 HD TRP 43 9.268 -1.836 -6.895 332 HE1 TRP 43 1HE TRP 43 8.099 0.455 -7.028 333 HE3 TRP 43 3HE TRP 43 4.815 -3.076 -4.721 334 HZ2 TRP 43 2HZ TRP 43 5.612 1.586 -6.297 335 HZ3 TRP 43 3HZ TRP 43 3.095 -1.338 -4.469 336 HH2 TRP 43 HH TRP 43 3.487 0.947 -5.242 337 H ILE 44 H ILE 44 7.845 -6.777 -6.602 338 HA ILE 44 HA ILE 44 8.627 -8.014 -4.219 339 HB ILE 44 HB ILE 44 7.886 -9.342 -6.833 340 1HG1 ILE 44 2HG1 ILE 44 6.161 -8.554 -4.466 341 2HG1 ILE 44 1HG1 ILE 44 6.187 -7.731 -6.023 342 1HG2 ILE 44 1HG2 ILE 44 8.971 -10.864 -5.251 343 2HG2 ILE 44 2HG2 ILE 44 7.261 -11.253 -5.443 344 3HG2 ILE 44 3HG2 ILE 44 7.813 -10.396 -4.003 345 1HD1 ILE 44 1HD1 ILE 44 4.263 -9.230 -5.763 346 2HD1 ILE 44 2HD1 ILE 44 5.368 -10.596 -5.595 347 3HD1 ILE 44 3HD1 ILE 44 5.301 -9.695 -7.109 348 H ILE 45 H ILE 45 10.049 -8.187 -7.467 349 HA ILE 45 HA ILE 45 12.078 -10.043 -6.738 350 HB ILE 45 HB ILE 45 12.008 -8.138 -9.082 351 1HG1 ILE 45 2HG1 ILE 45 11.178 -11.043 -8.884 352 2HG1 ILE 45 1HG1 ILE 45 10.074 -9.680 -8.988 353 1HG2 ILE 45 1HG2 ILE 45 13.630 -9.613 -10.117 354 2HG2 ILE 45 2HG2 ILE 45 13.635 -10.652 -8.693 355 3HG2 ILE 45 3HG2 ILE 45 14.260 -9.005 -8.587 356 1HD1 ILE 45 1HD1 ILE 45 10.913 -9.149 -11.206 357 2HD1 ILE 45 2HD1 ILE 45 10.313 -10.807 -11.121 358 3HD1 ILE 45 3HD1 ILE 45 12.048 -10.495 -11.100 359 H LYS 46 H LYS 46 11.914 -6.524 -6.817 360 HA LYS 46 HA LYS 46 14.688 -6.045 -6.593 361 1HB LYS 46 2HB LYS 46 12.225 -4.413 -6.151 362 2HB LYS 46 1HB LYS 46 13.780 -3.785 -5.655 363 1HG LYS 46 2HG LYS 46 14.579 -4.108 -7.996 364 2HG LYS 46 1HG LYS 46 12.924 -4.540 -8.435 365 1HD LYS 46 2HD LYS 46 12.127 -2.375 -7.736 366 2HD LYS 46 1HD LYS 46 13.727 -1.938 -7.136 367 1HE LYS 46 2HE LYS 46 14.586 -2.180 -9.466 368 2HE LYS 46 1HE LYS 46 12.924 -2.426 -10.001 369 1HZ LYS 46 1HZ LYS 46 13.717 -0.110 -10.241 370 2HZ LYS 46 2HZ LYS 46 13.869 -0.008 -8.555 371 3HZ LYS 46 3HZ LYS 46 12.345 -0.243 -9.253 372 H TYR 47 H TYR 47 12.095 -6.218 -4.160 373 HA TYR 47 HA TYR 47 14.082 -5.642 -2.089 374 1HB TYR 47 2HB TYR 47 11.061 -5.695 -1.964 375 2HB TYR 47 1HB TYR 47 12.121 -5.281 -0.623 376 HD1 TYR 47 1HD TYR 47 13.405 -3.180 -0.650 377 HD2 TYR 47 2HD TYR 47 10.665 -4.135 -3.756 378 HE1 TYR 47 1HE TYR 47 13.436 -0.835 -1.394 379 HE2 TYR 47 2HE TYR 47 10.682 -1.798 -4.505 380 HH TYR 47 HH TYR 47 12.991 0.457 -3.443 381 H GLY 48 H GLY 48 11.810 -8.157 -3.068 382 1HA GLY 48 2HA GLY 48 12.414 -9.701 -0.659 383 2HA GLY 48 1HA GLY 48 11.186 -10.079 -1.856 384 H SER 49 H SER 49 14.568 -9.345 -2.520 385 HA SER 49 HA SER 49 14.871 -11.499 -4.305 386 1HB SER 49 2HB SER 49 17.125 -10.052 -2.916 387 2HB SER 49 1HB SER 49 17.135 -10.793 -4.514 388 HG SER 49 HG SER 49 15.359 -9.164 -4.941 389 H ASN 50 H ASN 50 15.247 -11.297 -0.887 390 HA ASN 50 HA ASN 50 16.921 -13.703 -0.771 391 1HB ASN 50 2HB ASN 50 17.421 -11.560 0.525 392 2HB ASN 50 1HB ASN 50 16.063 -11.988 1.548 393 1HD2 ASN 50 1HD2 ASN 50 18.301 -14.281 0.111 394 2HD2 ASN 50 2HD2 ASN 50 19.001 -14.807 1.599 395 H HIS 51 H HIS 51 13.763 -13.042 -0.917 396 HA HIS 51 HA HIS 51 13.014 -15.143 1.018 397 1HB HIS 51 2HB HIS 51 11.393 -12.701 0.253 398 2HB HIS 51 1HB HIS 51 10.855 -13.984 1.331 399 HD1 HIS 51 1HD HIS 51 11.974 -14.107 3.689 400 HD2 HIS 51 2HD HIS 51 13.105 -10.828 1.388 401 HE1 HIS 51 1HE HIS 51 13.116 -12.520 5.274 402 HE2 HIS 51 2HE HIS 51 13.986 -10.655 3.814 403 H ASN 52 H ASN 52 10.538 -15.704 0.446 404 HA ASN 52 HA ASN 52 9.128 -16.855 -0.850 405 1HB ASN 52 2HB ASN 52 8.879 -14.906 -2.206 406 2HB ASN 52 1HB ASN 52 10.387 -15.239 -3.051 407 1HD2 ASN 52 1HD2 ASN 52 7.151 -16.474 -2.445 408 2HD2 ASN 52 2HD2 ASN 52 6.984 -17.292 -3.965 409 H VAL 53 H VAL 53 9.688 -18.880 -0.570 410 HA VAL 53 HA VAL 53 11.916 -20.075 -1.963 411 HB VAL 53 HB VAL 53 9.744 -21.426 -0.347 412 1HG1 VAL 53 1HG1 VAL 53 12.479 -22.388 -1.178 413 2HG1 VAL 53 2HG1 VAL 53 10.933 -22.955 -1.813 414 3HG1 VAL 53 3HG1 VAL 53 11.357 -23.254 -0.127 415 1HG2 VAL 53 1HG2 VAL 53 10.918 -19.776 1.006 416 2HG2 VAL 53 2HG2 VAL 53 12.468 -20.475 0.537 417 3HG2 VAL 53 3HG2 VAL 53 11.335 -21.412 1.511 418 H GLN 54 H GLN 54 8.441 -19.865 -2.243 419 HA GLN 54 HA GLN 54 6.918 -20.614 -3.750 420 1HB GLN 54 2HB GLN 54 8.472 -19.319 -5.277 421 2HB GLN 54 1HB GLN 54 9.237 -20.850 -5.678 422 1HG GLN 54 2HG GLN 54 7.679 -20.248 -7.401 423 2HG GLN 54 1HG GLN 54 7.085 -21.669 -6.545 424 1HE2 GLN 54 1HE2 GLN 54 5.215 -21.550 -5.394 425 2HE2 GLN 54 2HE2 GLN 54 4.164 -20.180 -5.418 426 H GLY 55 H GLY 55 6.858 -22.477 -2.311 427 1HA GLY 55 2HA GLY 55 8.443 -24.790 -2.948 428 2HA GLY 55 1HA GLY 55 7.236 -24.668 -1.682 429 H THR 56 H THR 56 5.709 -26.112 -1.926 430 HA THR 56 HA THR 56 4.263 -27.604 -2.813 431 HB THR 56 HB THR 56 4.462 -26.284 -5.470 432 HG1 THR 56 1HG THR 56 3.913 -24.518 -4.363 433 1HG2 THR 56 1HG2 THR 56 2.193 -27.643 -4.030 434 2HG2 THR 56 2HG2 THR 56 3.159 -28.339 -5.333 435 3HG2 THR 56 3HG2 THR 56 2.113 -26.955 -5.651 436 H THR 57 H THR 57 5.150 -29.511 -2.934 437 HA THR 57 HA THR 57 6.906 -30.140 -5.201 438 HB THR 57 HB THR 57 7.427 -30.959 -2.334 439 HG1 THR 57 1HG THR 57 8.150 -28.783 -3.791 440 1HG2 THR 57 1HG2 THR 57 8.118 -32.676 -3.941 441 2HG2 THR 57 2HG2 THR 57 9.517 -31.898 -3.203 442 3HG2 THR 57 3HG2 THR 57 9.034 -31.467 -4.844 443 HA PRO 58 HA PRO 58 3.854 -33.461 -5.324 444 1HB PRO 58 2HB PRO 58 5.130 -34.080 -7.881 445 2HB PRO 58 1HB PRO 58 3.470 -33.579 -7.558 446 1HG PRO 58 2HG PRO 58 5.245 -31.970 -8.799 447 2HG PRO 58 1HG PRO 58 3.967 -31.343 -7.741 448 1HD PRO 58 2HD PRO 58 6.873 -31.776 -7.150 449 2HD PRO 58 1HD PRO 58 5.825 -30.409 -6.709 450 H SER 59 H SER 59 3.991 -35.803 -5.569 451 HA SER 59 HA SER 59 6.211 -36.904 -4.218 452 1HB SER 59 2HB SER 59 5.086 -39.119 -4.993 453 2HB SER 59 1HB SER 59 4.209 -38.053 -3.895 454 HG SER 59 HG SER 59 3.803 -38.514 -6.650 455 H ALA 60 H ALA 60 5.512 -36.483 -7.589 456 HA ALA 60 HA ALA 60 7.405 -38.327 -8.600 457 1HB ALA 60 1HB ALA 60 6.311 -35.829 -9.883 458 2HB ALA 60 2HB ALA 60 5.578 -37.433 -9.957 459 3HB ALA 60 3HB ALA 60 7.146 -37.146 -10.711 460 H ALA 61 H ALA 61 7.665 -35.158 -7.259 461 HA ALA 61 HA ALA 61 10.232 -34.606 -8.465 462 1HB ALA 61 1HB ALA 61 8.679 -33.089 -6.379 463 2HB ALA 61 2HB ALA 61 8.726 -32.747 -8.110 464 3HB ALA 61 3HB ALA 61 10.177 -32.540 -7.126 465 H VAL 62 H VAL 62 9.194 -36.457 -5.951 466 HA VAL 62 HA VAL 62 11.379 -36.051 -4.136 467 HB VAL 62 HB VAL 62 9.533 -38.436 -4.377 468 1HG1 VAL 62 1HG1 VAL 62 10.203 -38.933 -2.082 469 2HG1 VAL 62 2HG1 VAL 62 11.331 -37.577 -2.115 470 3HG1 VAL 62 3HG1 VAL 62 11.583 -38.962 -3.178 471 1HG2 VAL 62 1HG2 VAL 62 8.290 -37.431 -2.529 472 2HG2 VAL 62 2HG2 VAL 62 8.306 -36.372 -3.938 473 3HG2 VAL 62 3HG2 VAL 62 9.358 -36.028 -2.565 474 H SER 63 H SER 63 10.609 -38.226 -6.758 475 HA SER 63 HA SER 63 12.985 -39.780 -6.633 476 1HB SER 63 2HB SER 63 11.195 -39.243 -9.018 477 2HB SER 63 1HB SER 63 12.331 -40.577 -8.842 478 HG SER 63 HG SER 63 9.987 -40.961 -8.359 479 H GLU 64 H GLU 64 12.086 -36.755 -8.050 480 HA GLU 64 HA GLU 64 14.319 -36.408 -9.765 481 1HB GLU 64 2HB GLU 64 12.068 -35.155 -9.744 482 2HB GLU 64 1HB GLU 64 12.766 -34.184 -8.458 483 1HG GLU 64 2HG GLU 64 13.063 -32.967 -10.448 484 2HG GLU 64 1HG GLU 64 14.642 -33.639 -10.044 485 H ALA 65 H ALA 65 13.651 -35.699 -6.431 486 HA ALA 65 HA ALA 65 15.773 -33.961 -5.852 487 1HB ALA 65 1HB ALA 65 15.335 -34.482 -3.518 488 2HB ALA 65 2HB ALA 65 14.376 -35.882 -3.996 489 3HB ALA 65 3HB ALA 65 13.823 -34.255 -4.395 490 H GLU 66 H GLU 66 15.710 -37.359 -6.326 491 HA GLU 66 HA GLU 66 17.834 -38.252 -4.770 492 1HB GLU 66 2HB GLU 66 16.215 -39.646 -6.118 493 2HB GLU 66 1HB GLU 66 17.131 -39.214 -7.549 494 1HG GLU 66 2HG GLU 66 17.783 -41.395 -6.822 495 2HG GLU 66 1HG GLU 66 19.123 -40.279 -6.571 496 H GLN 67 H GLN 67 17.863 -37.172 -8.161 497 HA GLN 67 HA GLN 67 20.746 -37.208 -8.245 498 1HB GLN 67 2HB GLN 67 20.496 -36.430 -10.552 499 2HB GLN 67 1HB GLN 67 19.478 -37.827 -10.235 500 1HG GLN 67 2HG GLN 67 17.578 -36.228 -9.876 501 2HG GLN 67 1HG GLN 67 18.635 -34.956 -10.488 502 1HE2 GLN 67 1HE2 GLN 67 16.834 -37.799 -11.255 503 2HE2 GLN 67 2HE2 GLN 67 16.911 -37.650 -12.975 504 H ILE 68 H ILE 68 18.211 -34.829 -7.800 505 HA ILE 68 HA ILE 68 19.662 -32.506 -8.390 506 HB ILE 68 HB ILE 68 17.382 -32.920 -6.459 507 1HG1 ILE 68 2HG1 ILE 68 17.497 -31.727 -9.237 508 2HG1 ILE 68 1HG1 ILE 68 16.874 -33.321 -8.831 509 1HG2 ILE 68 1HG2 ILE 68 18.542 -30.301 -7.417 510 2HG2 ILE 68 2HG2 ILE 68 18.658 -30.946 -5.779 511 3HG2 ILE 68 3HG2 ILE 68 17.086 -30.503 -6.442 512 1HD1 ILE 68 1HD1 ILE 68 15.089 -32.308 -7.530 513 2HD1 ILE 68 2HD1 ILE 68 15.085 -31.706 -9.187 514 3HD1 ILE 68 3HD1 ILE 68 15.727 -30.704 -7.886 515 H ARG 69 H ARG 69 19.229 -34.153 -5.240 516 HA ARG 69 HA ARG 69 20.670 -32.251 -3.753 517 1HB ARG 69 2HB ARG 69 20.717 -33.842 -1.969 518 2HB ARG 69 1HB ARG 69 19.178 -34.033 -2.797 519 1HG ARG 69 2HG ARG 69 19.983 -36.002 -3.929 520 2HG ARG 69 1HG ARG 69 21.587 -35.781 -3.231 521 1HD ARG 69 2HD ARG 69 20.508 -35.992 -0.970 522 2HD ARG 69 1HD ARG 69 19.032 -36.481 -1.806 523 HE ARG 69 HE ARG 69 21.558 -37.980 -1.692 524 1HH1 ARG 69 1HH1 ARG 69 18.161 -37.815 -2.553 525 2HH1 ARG 69 2HH1 ARG 69 18.073 -39.485 -3.030 526 1HH2 ARG 69 1HH2 ARG 69 21.436 -40.165 -2.270 527 2HH2 ARG 69 2HH2 ARG 69 19.938 -40.826 -2.859 528 H GLN 70 H GLN 70 21.714 -35.057 -5.581 529 HA GLN 70 HA GLN 70 24.378 -35.092 -4.551 530 1HB GLN 70 2HB GLN 70 22.849 -36.933 -5.730 531 2HB GLN 70 1HB GLN 70 23.682 -36.348 -7.161 532 1HG GLN 70 2HG GLN 70 25.129 -37.266 -4.703 533 2HG GLN 70 1HG GLN 70 24.658 -38.351 -6.005 534 1HE2 GLN 70 1HE2 GLN 70 25.710 -38.214 -7.984 535 2HE2 GLN 70 2HE2 GLN 70 27.199 -37.356 -8.185 536 H LEU 71 H LEU 71 22.931 -34.113 -7.659 537 HA LEU 71 HA LEU 71 25.334 -33.258 -8.854 538 1HB LEU 71 2HB LEU 71 22.717 -33.553 -9.647 539 2HB LEU 71 1HB LEU 71 22.917 -31.814 -9.677 540 HG LEU 71 HG LEU 71 23.331 -32.825 -11.870 541 1HD1 LEU 71 1HD1 LEU 71 25.522 -31.806 -12.318 542 2HD1 LEU 71 2HD1 LEU 71 25.792 -31.657 -10.581 543 3HD1 LEU 71 3HD1 LEU 71 24.480 -30.763 -11.352 544 1HD2 LEU 71 1HD2 LEU 71 24.151 -34.994 -11.152 545 2HD2 LEU 71 2HD2 LEU 71 25.607 -34.243 -10.493 546 3HD2 LEU 71 3HD2 LEU 71 25.309 -34.219 -12.232 547 H LYS 72 H LYS 72 23.197 -31.744 -6.591 548 HA LYS 72 HA LYS 72 24.133 -29.067 -7.011 549 1HB LYS 72 2HB LYS 72 21.883 -29.784 -6.057 550 2HB LYS 72 1HB LYS 72 22.729 -30.136 -4.559 551 1HG LYS 72 2HG LYS 72 23.057 -27.432 -5.748 552 2HG LYS 72 1HG LYS 72 21.520 -27.828 -4.987 553 1HD LYS 72 2HD LYS 72 24.167 -28.208 -3.604 554 2HD LYS 72 1HD LYS 72 23.254 -26.704 -3.519 555 1HE LYS 72 2HE LYS 72 22.700 -27.933 -1.577 556 2HE LYS 72 1HE LYS 72 21.317 -28.056 -2.661 557 1HZ LYS 72 1HZ LYS 72 21.832 -30.180 -1.642 558 2HZ LYS 72 2HZ LYS 72 23.401 -30.134 -2.282 559 3HZ LYS 72 3HZ LYS 72 22.074 -30.254 -3.316 560 H LYS 73 H LYS 73 25.486 -31.779 -5.526 561 HA LYS 73 HA LYS 73 26.870 -30.400 -3.401 562 1HB LYS 73 2HB LYS 73 27.214 -33.181 -4.542 563 2HB LYS 73 1HB LYS 73 28.094 -32.568 -3.149 564 1HG LYS 73 2HG LYS 73 26.057 -32.344 -1.894 565 2HG LYS 73 1HG LYS 73 25.096 -32.779 -3.306 566 1HD LYS 73 2HD LYS 73 25.181 -34.725 -1.987 567 2HD LYS 73 1HD LYS 73 26.342 -34.996 -3.285 568 1HE LYS 73 2HE LYS 73 27.181 -33.894 -0.618 569 2HE LYS 73 1HE LYS 73 27.023 -35.627 -0.890 570 1HZ LYS 73 1HZ LYS 73 29.277 -35.019 -1.234 571 2HZ LYS 73 2HZ LYS 73 28.864 -33.757 -2.286 572 3HZ LYS 73 3HZ LYS 73 28.621 -35.366 -2.761 573 H GLU 74 H GLU 74 27.446 -28.910 -5.484 574 HA GLU 74 HA GLU 74 30.144 -29.726 -6.307 575 1HB GLU 74 2HB GLU 74 29.840 -28.033 -8.164 576 2HB GLU 74 1HB GLU 74 28.845 -29.476 -8.261 577 1HG GLU 74 2HG GLU 74 27.291 -27.896 -8.768 578 2HG GLU 74 1HG GLU 74 27.100 -27.946 -7.017 579 H ASN 75 H ASN 75 28.360 -27.475 -4.477 580 HA ASN 75 HA ASN 75 29.108 -26.198 -2.746 581 1HB ASN 75 2HB ASN 75 31.028 -27.838 -2.723 582 2HB ASN 75 1HB ASN 75 31.932 -26.672 -3.676 583 1HD2 ASN 75 1HD2 ASN 75 33.464 -26.289 -2.104 584 2HD2 ASN 75 2HD2 ASN 75 33.113 -25.450 -0.628 585 H ALA 76 H ALA 76 30.342 -25.613 -5.912 586 HA ALA 76 HA ALA 76 31.531 -23.110 -5.557 587 1HB ALA 76 1HB ALA 76 30.233 -24.237 -8.028 588 2HB ALA 76 2HB ALA 76 31.910 -24.472 -7.537 589 3HB ALA 76 3HB ALA 76 31.337 -22.864 -7.981 590 H LEU 77 H LEU 77 28.198 -23.992 -5.695 591 HA LEU 77 HA LEU 77 26.918 -21.744 -6.589 592 1HB LEU 77 2HB LEU 77 26.223 -23.510 -4.248 593 2HB LEU 77 1HB LEU 77 25.143 -22.306 -4.910 594 HG LEU 77 HG LEU 77 26.208 -24.693 -6.411 595 1HD1 LEU 77 1HD1 LEU 77 23.469 -24.143 -5.282 596 2HD1 LEU 77 2HD1 LEU 77 24.628 -25.324 -4.670 597 3HD1 LEU 77 3HD1 LEU 77 23.922 -25.529 -6.273 598 1HD2 LEU 77 1HD2 LEU 77 24.572 -24.053 -8.123 599 2HD2 LEU 77 2HD2 LEU 77 25.797 -22.806 -7.886 600 3HD2 LEU 77 3HD2 LEU 77 24.185 -22.599 -7.202 601 H GLN 78 H GLN 78 28.212 -22.256 -3.310 602 HA GLN 78 HA GLN 78 27.384 -19.682 -2.371 603 1HB GLN 78 2HB GLN 78 29.334 -21.704 -1.273 604 2HB GLN 78 1HB GLN 78 28.974 -20.185 -0.470 605 1HG GLN 78 2HG GLN 78 26.625 -20.845 -0.292 606 2HG GLN 78 1HG GLN 78 27.010 -22.381 -1.073 607 1HE2 GLN 78 1HE2 GLN 78 29.182 -20.809 1.147 608 2HE2 GLN 78 2HE2 GLN 78 29.021 -21.962 2.431 609 H ARG 79 H ARG 79 30.255 -20.977 -3.860 610 HA ARG 79 HA ARG 79 31.922 -18.778 -3.107 611 1HB ARG 79 2HB ARG 79 32.296 -21.210 -4.814 612 2HB ARG 79 1HB ARG 79 33.473 -19.903 -4.890 613 1HG ARG 79 2HG ARG 79 34.228 -21.575 -3.334 614 2HG ARG 79 1HG ARG 79 33.811 -20.106 -2.453 615 1HD ARG 79 2HD ARG 79 31.461 -21.348 -2.281 616 2HD ARG 79 1HD ARG 79 32.490 -22.768 -2.462 617 HE ARG 79 HE ARG 79 33.597 -21.106 -0.501 618 1HH1 ARG 79 1HH1 ARG 79 30.825 -23.189 -0.974 619 2HH1 ARG 79 2HH1 ARG 79 30.581 -23.456 0.720 620 1HH2 ARG 79 1HH2 ARG 79 33.280 -21.451 1.727 621 2HH2 ARG 79 2HH2 ARG 79 31.961 -22.455 2.262 622 H ALA 80 H ALA 80 29.664 -19.329 -5.560 623 HA ALA 80 HA ALA 80 30.664 -17.663 -7.600 624 1HB ALA 80 1HB ALA 80 28.344 -17.526 -8.374 625 2HB ALA 80 2HB ALA 80 27.790 -18.231 -6.855 626 3HB ALA 80 3HB ALA 80 28.781 -19.183 -7.960 627 H ARG 81 H ARG 81 29.305 -17.006 -4.517 628 HA ARG 81 HA ARG 81 28.542 -14.294 -5.009 629 1HB ARG 81 2HB ARG 81 29.038 -15.847 -2.474 630 2HB ARG 81 1HB ARG 81 28.565 -14.154 -2.479 631 1HG ARG 81 2HG ARG 81 26.517 -14.790 -3.731 632 2HG ARG 81 1HG ARG 81 26.991 -16.482 -3.550 633 1HD ARG 81 2HD ARG 81 26.868 -16.316 -1.156 634 2HD ARG 81 1HD ARG 81 26.572 -14.580 -1.249 635 HE ARG 81 HE ARG 81 24.673 -16.659 -2.148 636 1HH1 ARG 81 1HH1 ARG 81 25.371 -13.466 -0.905 637 2HH1 ARG 81 2HH1 ARG 81 23.710 -13.069 -0.610 638 1HH2 ARG 81 1HH2 ARG 81 22.472 -16.136 -1.789 639 2HH2 ARG 81 2HH2 ARG 81 22.051 -14.569 -1.150 640 H THR 82 H THR 82 31.465 -15.911 -4.254 641 HA THR 82 HA THR 82 32.915 -13.726 -3.174 642 HB THR 82 HB THR 82 34.063 -16.095 -4.665 643 HG1 THR 82 1HG THR 82 32.803 -15.893 -2.205 644 1HG2 THR 82 1HG2 THR 82 35.661 -14.298 -4.192 645 2HG2 THR 82 2HG2 THR 82 36.007 -15.726 -3.216 646 3HG2 THR 82 3HG2 THR 82 35.201 -14.335 -2.488 647 H ARG 83 H ARG 83 32.162 -14.820 -6.357 648 HA ARG 83 HA ARG 83 32.154 -13.822 -8.363 649 1HB ARG 83 2HB ARG 83 31.287 -11.894 -7.182 650 2HB ARG 83 1HB ARG 83 32.919 -11.377 -6.781 651 1HG ARG 83 2HG ARG 83 33.371 -11.175 -9.211 652 2HG ARG 83 1HG ARG 83 31.660 -11.491 -9.504 653 1HD ARG 83 2HD ARG 83 32.764 -9.227 -7.844 654 2HD ARG 83 1HD ARG 83 32.166 -9.085 -9.497 655 HE ARG 83 HE ARG 83 30.074 -10.181 -8.159 656 1HH1 ARG 83 1HH1 ARG 83 32.075 -7.379 -7.538 657 2HH1 ARG 83 2HH1 ARG 83 30.778 -6.448 -6.839 658 1HH2 ARG 83 1HH2 ARG 83 28.368 -8.966 -7.250 659 2HH2 ARG 83 2HH2 ARG 83 28.658 -7.333 -6.721 660 H HIS 84 H HIS 84 33.507 -14.030 -9.973 661 HA HIS 84 HA HIS 84 36.362 -13.501 -9.554 662 1HB HIS 84 2HB HIS 84 34.846 -15.170 -11.553 663 2HB HIS 84 1HB HIS 84 36.498 -14.653 -11.884 664 HD1 HIS 84 1HD HIS 84 34.591 -17.280 -10.239 665 HD2 HIS 84 2HD HIS 84 38.373 -15.593 -9.838 666 HE1 HIS 84 1HE HIS 84 35.941 -18.941 -8.923 667 HE2 HIS 84 2HE HIS 84 38.282 -18.000 -8.900 668 HA PRO 85 HA PRO 85 36.122 -9.815 -11.963 669 1HB PRO 85 2HB PRO 85 38.522 -9.796 -13.240 670 2HB PRO 85 1HB PRO 85 38.342 -9.447 -11.516 671 1HG PRO 85 2HG PRO 85 39.187 -11.983 -12.857 672 2HG PRO 85 1HG PRO 85 39.847 -11.207 -11.405 673 1HD PRO 85 2HD PRO 85 38.139 -13.312 -11.290 674 2HD PRO 85 1HD PRO 85 38.187 -12.047 -10.045 675 H ALA 86 H ALA 86 36.464 -8.971 -14.264 676 HA ALA 86 HA ALA 86 35.831 -11.062 -16.232 677 1HB ALA 86 1HB ALA 86 34.431 -8.400 -15.957 678 2HB ALA 86 2HB ALA 86 33.746 -9.976 -15.557 679 3HB ALA 86 3HB ALA 86 34.147 -9.586 -17.230 680 H GLU 87 H GLU 87 38.264 -9.572 -15.550 681 HA GLU 87 HA GLU 87 38.725 -7.524 -17.465 682 1HB GLU 87 2HB GLU 87 40.734 -9.202 -15.948 683 2HB GLU 87 1HB GLU 87 41.051 -7.664 -16.746 684 1HG GLU 87 2HG GLU 87 39.665 -6.490 -15.207 685 2HG GLU 87 1HG GLU 87 39.075 -7.995 -14.504 686 H SER 88 H SER 88 38.863 -10.959 -17.548 687 HA SER 88 HA SER 88 40.622 -11.273 -19.755 688 1HB SER 88 2HB SER 88 39.399 -13.561 -19.851 689 2HB SER 88 1HB SER 88 40.333 -13.178 -18.403 690 HG SER 88 HG SER 88 38.194 -14.004 -17.976 691 H CYS 89 H CYS 89 37.253 -10.499 -19.449 692 HA CYS 89 HA CYS 89 36.458 -11.300 -22.069 693 1HB CYS 89 2HB CYS 89 34.862 -11.099 -20.191 694 2HB CYS 89 1HB CYS 89 35.130 -9.360 -20.162 695 HG CYS 89 HG CYS 89 34.334 -9.773 -23.172 696 H LEU 90 H LEU 90 38.038 -8.567 -20.766 697 HA LEU 90 HA LEU 90 37.197 -6.514 -22.452 698 1HB LEU 90 2HB LEU 90 38.524 -6.136 -20.437 699 2HB LEU 90 1HB LEU 90 39.900 -6.929 -21.178 700 HG LEU 90 HG LEU 90 39.986 -5.125 -22.877 701 1HD1 LEU 90 1HD1 LEU 90 38.700 -3.079 -22.498 702 2HD1 LEU 90 2HD1 LEU 90 37.851 -3.861 -21.165 703 3HD1 LEU 90 3HD1 LEU 90 37.639 -4.454 -22.812 704 1HD2 LEU 90 1HD2 LEU 90 40.842 -3.392 -21.347 705 2HD2 LEU 90 2HD2 LEU 90 41.406 -5.007 -20.916 706 3HD2 LEU 90 3HD2 LEU 90 40.107 -4.251 -19.995 707 H GLU 91 H GLU 91 39.729 -8.952 -22.927 708 HA GLU 91 HA GLU 91 40.783 -7.742 -25.276 709 1HB GLU 91 2HB GLU 91 42.143 -9.272 -23.952 710 2HB GLU 91 1HB GLU 91 41.023 -10.588 -24.289 711 1HG GLU 91 2HG GLU 91 41.559 -10.431 -26.669 712 2HG GLU 91 1HG GLU 91 42.701 -9.131 -26.324 713 H HIS 92 H HIS 92 38.251 -10.110 -24.689 714 HA HIS 92 HA HIS 92 37.864 -10.308 -27.606 715 1HB HIS 92 2HB HIS 92 37.197 -12.346 -25.472 716 2HB HIS 92 1HB HIS 92 36.740 -12.493 -27.164 717 HD1 HIS 92 1HD HIS 92 39.106 -13.774 -24.949 718 HD2 HIS 92 2HD HIS 92 39.364 -12.211 -28.793 719 HE1 HIS 92 1HE HIS 92 41.241 -14.691 -25.909 720 HE2 HIS 92 2HE HIS 92 41.493 -13.528 -28.134 721 H HIS 93 H HIS 93 36.460 -8.581 -27.807 722 HA HIS 93 HA HIS 93 34.119 -8.275 -26.226 723 1HB HIS 93 2HB HIS 93 34.906 -7.238 -28.951 724 2HB HIS 93 1HB HIS 93 33.347 -6.868 -28.219 725 HD1 HIS 93 1HD HIS 93 37.017 -6.146 -27.880 726 HD2 HIS 93 2HD HIS 93 33.409 -5.032 -26.140 727 HE1 HIS 93 1HE HIS 93 37.547 -4.157 -26.434 728 HE2 HIS 93 2HE HIS 93 35.393 -3.639 -25.228 729 H HIS 94 H HIS 94 32.189 -9.250 -26.374 730 HA HIS 94 HA HIS 94 32.185 -11.714 -27.841 731 1HB HIS 94 2HB HIS 94 30.226 -12.304 -26.606 732 2HB HIS 94 1HB HIS 94 31.320 -11.494 -25.495 733 HD1 HIS 94 1HD HIS 94 27.876 -11.597 -26.402 734 HD2 HIS 94 2HD HIS 94 30.506 -8.585 -25.246 735 HE1 HIS 94 1HE HIS 94 26.433 -9.698 -25.611 736 HE2 HIS 94 2HE HIS 94 28.043 -7.971 -24.734 737 H HIS 95 H HIS 95 31.298 -12.163 -29.688 738 HA HIS 95 HA HIS 95 29.128 -10.464 -30.690 739 1HB HIS 95 2HB HIS 95 29.955 -10.961 -33.021 740 2HB HIS 95 1HB HIS 95 30.996 -9.904 -32.079 741 HD1 HIS 95 1HD HIS 95 31.114 -12.821 -34.199 742 HD2 HIS 95 2HD HIS 95 33.302 -11.414 -30.947 743 HE1 HIS 95 1HE HIS 95 33.307 -14.056 -34.261 744 HE2 HIS 95 2HE HIS 95 34.574 -13.262 -32.227 745 H HIS 96 H HIS 96 27.438 -11.647 -30.288 746 HA HIS 96 HA HIS 96 27.413 -14.425 -29.950 747 1HB HIS 96 2HB HIS 96 25.025 -14.230 -29.740 748 2HB HIS 96 1HB HIS 96 25.758 -12.816 -28.992 749 HD1 HIS 96 1HD HIS 96 23.412 -13.843 -31.653 750 HD2 HIS 96 2HD HIS 96 25.433 -10.392 -30.507 751 HE1 HIS 96 1HE HIS 96 22.298 -11.958 -32.892 752 HE2 HIS 96 2HE HIS 96 23.397 -9.870 -32.008 753 H HIS 97 H HIS 97 26.126 -16.003 -31.117 754 HA HIS 97 HA HIS 97 26.134 -15.578 -34.018 755 1HB HIS 97 2HB HIS 97 25.852 -18.114 -32.381 756 2HB HIS 97 1HB HIS 97 25.734 -18.054 -34.135 757 HD1 HIS 97 1HD HIS 97 27.972 -17.388 -35.431 758 HD2 HIS 97 2HD HIS 97 28.407 -18.243 -31.380 759 HE1 HIS 97 1HE HIS 97 30.431 -17.768 -35.072 760 HE2 HIS 97 2HE HIS 97 30.683 -18.212 -32.608 Start of MODEL 11 1 1H MET 1 1HT MET 1 7.618 14.480 -3.564 2 2H MET 1 2HT MET 1 8.318 13.432 -4.693 3 3H MET 1 3HT MET 1 7.657 12.816 -3.255 4 HA MET 1 HA MET 1 6.161 14.128 -5.447 5 1HB MET 1 2HB MET 1 6.994 11.797 -5.881 6 2HB MET 1 1HB MET 1 6.066 11.261 -4.489 7 1HG MET 1 2HG MET 1 4.002 11.905 -5.560 8 2HG MET 1 1HG MET 1 4.894 12.581 -6.925 9 1HE MET 1 1HE MET 1 3.520 11.234 -8.671 10 2HE MET 1 2HE MET 1 2.531 10.539 -7.388 11 3HE MET 1 3HE MET 1 3.258 9.491 -8.608 12 HA PRO 2 HA PRO 2 3.785 14.947 -1.677 13 1HB PRO 2 2HB PRO 2 2.530 17.072 -3.186 14 2HB PRO 2 1HB PRO 2 3.610 17.195 -1.799 15 1HG PRO 2 2HG PRO 2 4.312 17.977 -4.315 16 2HG PRO 2 1HG PRO 2 5.478 17.403 -3.107 17 1HD PRO 2 2HD PRO 2 4.261 15.936 -5.415 18 2HD PRO 2 1HD PRO 2 5.934 15.907 -4.817 19 H THR 3 H THR 3 2.518 14.937 -4.934 20 HA THR 3 HA THR 3 -0.140 14.206 -3.997 21 HB THR 3 HB THR 3 -0.632 14.289 -6.525 22 HG1 THR 3 1HG THR 3 1.544 14.247 -7.228 23 1HG2 THR 3 1HG2 THR 3 -0.842 16.720 -6.484 24 2HG2 THR 3 2HG2 THR 3 0.258 16.803 -5.107 25 3HG2 THR 3 3HG2 THR 3 -1.317 16.027 -4.934 26 H LYS 4 H LYS 4 -0.658 12.168 -3.756 27 HA LYS 4 HA LYS 4 -0.780 9.929 -3.939 28 1HB LYS 4 2HB LYS 4 -1.276 10.514 -6.321 29 2HB LYS 4 1HB LYS 4 0.429 10.310 -6.684 30 1HG LYS 4 2HG LYS 4 -1.134 8.069 -5.465 31 2HG LYS 4 1HG LYS 4 -1.225 8.394 -7.197 32 1HD LYS 4 2HD LYS 4 1.274 8.276 -7.250 33 2HD LYS 4 1HD LYS 4 1.221 7.719 -5.579 34 1HE LYS 4 2HE LYS 4 -0.097 5.792 -6.237 35 2HE LYS 4 1HE LYS 4 -0.122 6.355 -7.909 36 1HZ LYS 4 1HZ LYS 4 2.269 5.520 -6.366 37 2HZ LYS 4 2HZ LYS 4 2.319 6.177 -7.923 38 3HZ LYS 4 3HZ LYS 4 1.559 4.684 -7.661 39 H THR 5 H THR 5 0.690 9.600 -2.285 40 HA THR 5 HA THR 5 3.422 8.879 -3.150 41 HB THR 5 HB THR 5 2.805 9.571 -0.305 42 HG1 THR 5 1HG THR 5 3.594 11.573 -2.164 43 1HG2 THR 5 1HG2 THR 5 5.139 10.356 -0.350 44 2HG2 THR 5 2HG2 THR 5 5.237 9.930 -2.059 45 3HG2 THR 5 3HG2 THR 5 5.000 8.670 -0.847 46 H TYR 6 H TYR 6 4.400 7.108 -1.964 47 HA TYR 6 HA TYR 6 2.546 5.396 -0.509 48 1HB TYR 6 2HB TYR 6 3.460 3.418 -1.684 49 2HB TYR 6 1HB TYR 6 2.580 4.487 -2.760 50 HD1 TYR 6 1HD TYR 6 6.096 3.988 -1.565 51 HD2 TYR 6 2HD TYR 6 3.515 4.835 -4.837 52 HE1 TYR 6 1HE TYR 6 8.027 3.992 -3.075 53 HE2 TYR 6 2HE TYR 6 5.447 4.842 -6.360 54 HH TYR 6 HH TYR 6 7.924 5.197 -6.204 55 H SER 7 H SER 7 3.820 3.596 0.605 56 HA SER 7 HA SER 7 6.389 4.679 1.550 57 1HB SER 7 2HB SER 7 4.498 2.773 2.953 58 2HB SER 7 1HB SER 7 5.984 3.444 3.626 59 HG SER 7 HG SER 7 5.027 5.312 3.951 60 H GLU 8 H GLU 8 8.190 3.327 1.666 61 HA GLU 8 HA GLU 8 8.409 1.187 -0.143 62 1HB GLU 8 2HB GLU 8 10.576 0.741 0.927 63 2HB GLU 8 1HB GLU 8 10.347 2.458 0.629 64 1HG GLU 8 2HG GLU 8 9.948 2.907 2.902 65 2HG GLU 8 1HG GLU 8 9.753 1.196 3.283 66 H GLU 9 H GLU 9 7.515 1.319 3.207 67 HA GLU 9 HA GLU 9 7.784 -1.339 3.953 68 1HB GLU 9 2HB GLU 9 5.702 0.678 4.811 69 2HB GLU 9 1HB GLU 9 6.172 -0.763 5.687 70 1HG GLU 9 2HG GLU 9 8.411 0.119 6.005 71 2HG GLU 9 1HG GLU 9 7.983 1.550 5.069 72 H PHE 10 H PHE 10 5.340 0.327 2.112 73 HA PHE 10 HA PHE 10 3.399 -1.754 2.133 74 1HB PHE 10 2HB PHE 10 2.859 0.628 1.692 75 2HB PHE 10 1HB PHE 10 3.755 0.532 0.182 76 HD1 PHE 10 1HD PHE 10 0.857 -0.936 1.978 77 HD2 PHE 10 2HD PHE 10 2.687 -0.113 -1.773 78 HE1 PHE 10 1HE PHE 10 -1.196 -1.653 0.825 79 HE2 PHE 10 2HE PHE 10 0.639 -0.830 -2.934 80 HZ PHE 10 HZ PHE 10 -1.307 -1.601 -1.634 81 H LYS 11 H LYS 11 6.128 -0.900 0.086 82 HA LYS 11 HA LYS 11 5.547 -2.689 -2.028 83 1HB LYS 11 2HB LYS 11 8.184 -1.541 -1.097 84 2HB LYS 11 1HB LYS 11 7.994 -2.502 -2.556 85 1HG LYS 11 2HG LYS 11 6.367 -0.799 -3.380 86 2HG LYS 11 1HG LYS 11 6.781 0.188 -1.974 87 1HD LYS 11 2HD LYS 11 9.102 0.275 -2.691 88 2HD LYS 11 1HD LYS 11 8.734 -0.777 -4.062 89 1HE LYS 11 2HE LYS 11 7.236 0.910 -4.973 90 2HE LYS 11 1HE LYS 11 7.550 1.954 -3.590 91 1HZ LYS 11 1HZ LYS 11 8.910 2.750 -5.294 92 2HZ LYS 11 2HZ LYS 11 9.402 1.202 -5.773 93 3HZ LYS 11 3HZ LYS 11 9.965 1.853 -4.311 94 H ARG 12 H ARG 12 7.443 -3.027 0.955 95 HA ARG 12 HA ARG 12 8.233 -5.709 0.390 96 1HB ARG 12 2HB ARG 12 9.481 -4.305 1.991 97 2HB ARG 12 1HB ARG 12 8.093 -4.308 3.072 98 1HG ARG 12 2HG ARG 12 8.288 -6.674 3.418 99 2HG ARG 12 1HG ARG 12 9.556 -6.791 2.198 100 1HD ARG 12 2HD ARG 12 11.018 -5.406 3.590 101 2HD ARG 12 1HD ARG 12 9.745 -5.289 4.808 102 HE ARG 12 HE ARG 12 9.931 -7.781 4.986 103 1HH1 ARG 12 1HH1 ARG 12 12.660 -5.854 3.892 104 2HH1 ARG 12 2HH1 ARG 12 13.834 -7.062 4.328 105 1HH2 ARG 12 1HH2 ARG 12 11.484 -9.341 5.568 106 2HH2 ARG 12 2HH2 ARG 12 13.167 -9.017 5.300 107 H ASP 13 H ASP 13 5.475 -4.237 1.967 108 HA ASP 13 HA ASP 13 4.369 -6.596 3.064 109 1HB ASP 13 2HB ASP 13 3.565 -4.415 3.776 110 2HB ASP 13 1HB ASP 13 3.012 -4.055 2.144 111 H ALA 14 H ALA 14 4.122 -5.061 -0.094 112 HA ALA 14 HA ALA 14 2.204 -6.790 -1.203 113 1HB ALA 14 1HB ALA 14 4.450 -5.322 -2.575 114 2HB ALA 14 2HB ALA 14 2.837 -4.688 -2.254 115 3HB ALA 14 3HB ALA 14 3.048 -6.035 -3.374 116 H VAL 15 H VAL 15 5.701 -7.077 -0.824 117 HA VAL 15 HA VAL 15 6.040 -9.436 -2.355 118 HB VAL 15 HB VAL 15 7.678 -8.559 0.041 119 1HG1 VAL 15 1HG1 VAL 15 9.454 -9.904 -1.009 120 2HG1 VAL 15 2HG1 VAL 15 8.327 -10.393 -2.270 121 3HG1 VAL 15 3HG1 VAL 15 8.050 -10.893 -0.602 122 1HG2 VAL 15 1HG2 VAL 15 7.610 -6.780 -1.606 123 2HG2 VAL 15 2HG2 VAL 15 7.991 -7.921 -2.892 124 3HG2 VAL 15 3HG2 VAL 15 9.190 -7.564 -1.653 125 H ALA 16 H ALA 16 5.354 -8.858 1.071 126 HA ALA 16 HA ALA 16 5.286 -11.566 1.862 127 1HB ALA 16 1HB ALA 16 3.871 -9.186 3.060 128 2HB ALA 16 2HB ALA 16 5.493 -9.746 3.466 129 3HB ALA 16 3HB ALA 16 4.092 -10.750 3.845 130 H LEU 17 H LEU 17 2.853 -9.374 0.558 131 HA LEU 17 HA LEU 17 0.635 -11.108 0.805 132 1HB LEU 17 2HB LEU 17 0.599 -8.633 0.322 133 2HB LEU 17 1HB LEU 17 1.090 -9.010 -1.317 134 HG LEU 17 HG LEU 17 -0.987 -10.255 -1.673 135 1HD1 LEU 17 1HD1 LEU 17 -1.344 -11.030 0.622 136 2HD1 LEU 17 2HD1 LEU 17 -2.770 -10.201 -0.004 137 3HD1 LEU 17 3HD1 LEU 17 -1.697 -9.377 1.125 138 1HD2 LEU 17 1HD2 LEU 17 -2.529 -8.358 -1.624 139 2HD2 LEU 17 2HD2 LEU 17 -0.932 -7.873 -2.197 140 3HD2 LEU 17 3HD2 LEU 17 -1.431 -7.492 -0.548 141 H TYR 18 H TYR 18 3.086 -10.642 -1.685 142 HA TYR 18 HA TYR 18 2.096 -12.394 -3.628 143 1HB TYR 18 2HB TYR 18 3.866 -10.966 -4.268 144 2HB TYR 18 1HB TYR 18 4.879 -11.481 -2.926 145 HD1 TYR 18 1HD TYR 18 3.273 -12.841 -6.016 146 HD2 TYR 18 2HD TYR 18 6.547 -13.027 -3.307 147 HE1 TYR 18 1HE TYR 18 4.375 -14.492 -7.467 148 HE2 TYR 18 2HE TYR 18 7.657 -14.677 -4.750 149 HH TYR 18 HH TYR 18 7.131 -16.284 -6.442 150 H GLU 19 H GLU 19 4.043 -13.010 -0.750 151 HA GLU 19 HA GLU 19 4.624 -15.710 -1.194 152 1HB GLU 19 2HB GLU 19 4.149 -14.154 1.345 153 2HB GLU 19 1HB GLU 19 4.635 -15.844 1.349 154 1HG GLU 19 2HG GLU 19 6.198 -13.644 0.021 155 2HG GLU 19 1HG GLU 19 6.491 -14.218 1.662 156 H ASN 20 H ASN 20 1.665 -14.142 -0.292 157 HA ASN 20 HA ASN 20 0.411 -16.706 0.379 158 1HB ASN 20 2HB ASN 20 -0.467 -13.848 0.814 159 2HB ASN 20 1HB ASN 20 -1.491 -15.236 1.151 160 1HD2 ASN 20 1HD2 ASN 20 1.251 -13.385 2.138 161 2HD2 ASN 20 2HD2 ASN 20 1.460 -14.136 3.682 162 H SER 21 H SER 21 1.111 -15.635 -2.378 163 HA SER 21 HA SER 21 -1.282 -14.879 -3.680 164 1HB SER 21 2HB SER 21 -0.046 -15.503 -5.774 165 2HB SER 21 1HB SER 21 0.794 -14.362 -4.728 166 HG SER 21 HG SER 21 2.260 -15.824 -4.240 167 H ASP 22 H ASP 22 -0.220 -17.894 -2.542 168 HA ASP 22 HA ASP 22 -1.615 -19.625 -4.256 169 1HB ASP 22 2HB ASP 22 -0.027 -20.414 -2.536 170 2HB ASP 22 1HB ASP 22 -1.162 -19.928 -1.279 171 H GLY 23 H GLY 23 -2.664 -17.437 -1.793 172 1HA GLY 23 2HA GLY 23 -5.403 -18.492 -1.902 173 2HA GLY 23 1HA GLY 23 -4.798 -17.319 -0.738 174 H ALA 24 H ALA 24 -3.462 -15.950 -3.162 175 HA ALA 24 HA ALA 24 -5.826 -14.733 -4.367 176 1HB ALA 24 1HB ALA 24 -5.373 -13.386 -2.376 177 2HB ALA 24 2HB ALA 24 -5.043 -12.471 -3.848 178 3HB ALA 24 3HB ALA 24 -3.710 -13.146 -2.910 179 H SER 25 H SER 25 -5.517 -14.590 -6.472 180 HA SER 25 HA SER 25 -3.139 -15.485 -7.676 181 1HB SER 25 2HB SER 25 -5.415 -13.956 -8.953 182 2HB SER 25 1HB SER 25 -4.249 -14.988 -9.783 183 HG SER 25 HG SER 25 -5.153 -16.573 -8.024 184 H LEU 26 H LEU 26 -1.689 -14.433 -9.069 185 HA LEU 26 HA LEU 26 -0.419 -12.226 -8.037 186 1HB LEU 26 2HB LEU 26 -0.062 -13.973 -10.209 187 2HB LEU 26 1HB LEU 26 0.004 -12.358 -10.886 188 HG LEU 26 HG LEU 26 1.722 -13.325 -8.596 189 1HD1 LEU 26 1HD1 LEU 26 3.541 -13.310 -10.232 190 2HD1 LEU 26 2HD1 LEU 26 2.386 -12.927 -11.509 191 3HD1 LEU 26 3HD1 LEU 26 2.288 -14.472 -10.664 192 1HD2 LEU 26 1HD2 LEU 26 1.796 -10.790 -10.228 193 2HD2 LEU 26 2HD2 LEU 26 2.983 -11.263 -9.014 194 3HD2 LEU 26 3HD2 LEU 26 1.321 -10.927 -8.534 195 H GLN 27 H GLN 27 -2.745 -12.285 -10.750 196 HA GLN 27 HA GLN 27 -2.618 -9.541 -11.331 197 1HB GLN 27 2HB GLN 27 -3.730 -11.143 -12.822 198 2HB GLN 27 1HB GLN 27 -4.997 -11.383 -11.626 199 1HG GLN 27 2HG GLN 27 -5.749 -9.868 -13.382 200 2HG GLN 27 1HG GLN 27 -5.650 -9.042 -11.834 201 1HE2 GLN 27 1HE2 GLN 27 -5.566 -7.065 -12.954 202 2HE2 GLN 27 2HE2 GLN 27 -4.101 -6.517 -13.689 203 H GLN 28 H GLN 28 -4.690 -11.314 -9.071 204 HA GLN 28 HA GLN 28 -6.329 -9.176 -8.313 205 1HB GLN 28 2HB GLN 28 -6.887 -11.497 -7.784 206 2HB GLN 28 1HB GLN 28 -5.498 -11.602 -6.714 207 1HG GLN 28 2HG GLN 28 -7.647 -11.307 -5.530 208 2HG GLN 28 1HG GLN 28 -6.466 -10.044 -5.184 209 1HE2 GLN 28 1HE2 GLN 28 -8.032 -8.584 -4.544 210 2HE2 GLN 28 2HE2 GLN 28 -9.076 -7.798 -5.685 211 H ILE 29 H ILE 29 -3.208 -10.259 -7.081 212 HA ILE 29 HA ILE 29 -2.990 -8.589 -4.853 213 HB ILE 29 HB ILE 29 -0.719 -9.330 -6.709 214 1HG1 ILE 29 2HG1 ILE 29 -1.973 -11.336 -6.034 215 2HG1 ILE 29 1HG1 ILE 29 -0.383 -11.298 -5.275 216 1HG2 ILE 29 1HG2 ILE 29 0.668 -9.120 -4.696 217 2HG2 ILE 29 2HG2 ILE 29 -0.750 -8.609 -3.777 218 3HG2 ILE 29 3HG2 ILE 29 -0.144 -7.606 -5.096 219 1HD1 ILE 29 1HD1 ILE 29 -1.426 -10.471 -3.208 220 2HD1 ILE 29 2HD1 ILE 29 -2.045 -12.047 -3.703 221 3HD1 ILE 29 3HD1 ILE 29 -3.011 -10.597 -3.979 222 H ALA 30 H ALA 30 -1.835 -7.972 -8.177 223 HA ALA 30 HA ALA 30 -1.107 -5.269 -7.650 224 1HB ALA 30 1HB ALA 30 -0.096 -6.602 -9.439 225 2HB ALA 30 2HB ALA 30 -0.790 -5.105 -10.061 226 3HB ALA 30 3HB ALA 30 -1.643 -6.632 -10.287 227 H ASN 31 H ASN 31 -4.005 -6.848 -8.793 228 HA ASN 31 HA ASN 31 -5.381 -4.603 -9.811 229 1HB ASN 31 2HB ASN 31 -5.961 -7.026 -10.180 230 2HB ASN 31 1HB ASN 31 -6.568 -7.080 -8.532 231 1HD2 ASN 31 1HD2 ASN 31 -7.103 -5.971 -11.747 232 2HD2 ASN 31 2HD2 ASN 31 -8.740 -5.474 -11.532 233 H ASP 32 H ASP 32 -5.274 -6.091 -6.609 234 HA ASP 32 HA ASP 32 -7.201 -4.371 -5.420 235 1HB ASP 32 2HB ASP 32 -6.511 -6.639 -4.572 236 2HB ASP 32 1HB ASP 32 -4.997 -5.913 -4.041 237 H LEU 33 H LEU 33 -3.676 -4.387 -5.581 238 HA LEU 33 HA LEU 33 -3.294 -2.137 -3.891 239 1HB LEU 33 2HB LEU 33 -1.591 -3.747 -5.715 240 2HB LEU 33 1HB LEU 33 -1.017 -2.150 -5.280 241 HG LEU 33 HG LEU 33 -1.031 -2.747 -2.919 242 1HD1 LEU 33 1HD1 LEU 33 -1.997 -5.454 -3.833 243 2HD1 LEU 33 2HD1 LEU 33 -2.918 -4.279 -2.894 244 3HD1 LEU 33 3HD1 LEU 33 -1.489 -5.039 -2.194 245 1HD2 LEU 33 1HD2 LEU 33 0.767 -4.392 -2.959 246 2HD2 LEU 33 2HD2 LEU 33 0.965 -3.200 -4.244 247 3HD2 LEU 33 3HD2 LEU 33 0.355 -4.810 -4.623 248 H GLY 34 H GLY 34 -3.881 -2.517 -7.306 249 1HA GLY 34 2HA GLY 34 -4.815 -0.821 -8.652 250 2HA GLY 34 1HA GLY 34 -4.245 0.378 -7.503 251 H ILE 35 H ILE 35 -2.231 -2.171 -8.808 252 HA ILE 35 HA ILE 35 -0.858 -0.192 -10.494 253 HB ILE 35 HB ILE 35 1.299 -1.302 -9.896 254 1HG1 ILE 35 2HG1 ILE 35 -0.348 -2.525 -7.674 255 2HG1 ILE 35 1HG1 ILE 35 0.346 -3.405 -9.034 256 1HG2 ILE 35 1HG2 ILE 35 0.652 0.843 -8.927 257 2HG2 ILE 35 2HG2 ILE 35 1.586 -0.120 -7.783 258 3HG2 ILE 35 3HG2 ILE 35 -0.165 0.005 -7.607 259 1HD1 ILE 35 1HD1 ILE 35 1.690 -3.718 -7.058 260 2HD1 ILE 35 2HD1 ILE 35 1.862 -1.974 -6.861 261 3HD1 ILE 35 3HD1 ILE 35 2.594 -2.780 -8.248 262 H ASN 36 H ASN 36 0.759 -1.415 -11.993 263 HA ASN 36 HA ASN 36 -0.713 -3.442 -13.388 264 1HB ASN 36 2HB ASN 36 0.701 -1.627 -14.461 265 2HB ASN 36 1HB ASN 36 2.112 -2.537 -13.934 266 1HD2 ASN 36 1HD2 ASN 36 -0.654 -2.485 -16.020 267 2HD2 ASN 36 2HD2 ASN 36 -0.132 -3.761 -17.063 268 H ARG 37 H ARG 37 0.061 -5.540 -13.872 269 HA ARG 37 HA ARG 37 0.945 -7.007 -11.665 270 1HB ARG 37 2HB ARG 37 -0.357 -7.912 -13.592 271 2HB ARG 37 1HB ARG 37 1.093 -7.810 -14.580 272 1HG ARG 37 2HG ARG 37 2.203 -9.393 -13.050 273 2HG ARG 37 1HG ARG 37 0.695 -9.534 -12.143 274 1HD ARG 37 2HD ARG 37 1.161 -10.286 -15.024 275 2HD ARG 37 1HD ARG 37 0.875 -11.383 -13.675 276 HE ARG 37 HE ARG 37 -1.272 -9.542 -13.968 277 1HH1 ARG 37 1HH1 ARG 37 0.093 -12.440 -15.370 278 2HH1 ARG 37 2HH1 ARG 37 -1.423 -13.009 -15.995 279 1HH2 ARG 37 1HH2 ARG 37 -3.255 -10.271 -14.798 280 2HH2 ARG 37 2HH2 ARG 37 -3.339 -11.783 -15.656 281 H VAL 38 H VAL 38 2.678 -5.598 -14.372 282 HA VAL 38 HA VAL 38 5.165 -6.905 -13.806 283 HB VAL 38 HB VAL 38 4.704 -4.389 -15.424 284 1HG1 VAL 38 1HG1 VAL 38 6.997 -6.346 -15.433 285 2HG1 VAL 38 2HG1 VAL 38 7.034 -4.709 -14.777 286 3HG1 VAL 38 3HG1 VAL 38 6.816 -4.959 -16.508 287 1HG2 VAL 38 1HG2 VAL 38 4.690 -5.874 -17.375 288 2HG2 VAL 38 2HG2 VAL 38 3.363 -6.234 -16.272 289 3HG2 VAL 38 3HG2 VAL 38 4.784 -7.272 -16.303 290 H THR 39 H THR 39 3.795 -3.714 -13.094 291 HA THR 39 HA THR 39 5.976 -2.556 -11.805 292 HB THR 39 HB THR 39 3.094 -2.210 -10.956 293 HG1 THR 39 1HG THR 39 4.376 -0.695 -12.992 294 1HG2 THR 39 1HG2 THR 39 4.760 -1.091 -9.552 295 2HG2 THR 39 2HG2 THR 39 3.805 0.084 -10.457 296 3HG2 THR 39 3HG2 THR 39 5.445 -0.312 -10.976 297 H LEU 40 H LEU 40 3.419 -4.663 -10.565 298 HA LEU 40 HA LEU 40 4.167 -4.702 -7.869 299 1HB LEU 40 2HB LEU 40 2.039 -5.569 -8.663 300 2HB LEU 40 1HB LEU 40 2.861 -6.827 -9.567 301 HG LEU 40 HG LEU 40 3.688 -7.748 -7.391 302 1HD1 LEU 40 1HD1 LEU 40 2.553 -7.046 -5.343 303 2HD1 LEU 40 2HD1 LEU 40 1.753 -5.752 -6.233 304 3HD1 LEU 40 3HD1 LEU 40 3.506 -5.738 -6.043 305 1HD2 LEU 40 1HD2 LEU 40 1.766 -8.703 -8.539 306 2HD2 LEU 40 2HD2 LEU 40 0.702 -7.553 -7.731 307 3HD2 LEU 40 3HD2 LEU 40 1.556 -8.774 -6.789 308 H LYS 41 H LYS 41 5.121 -6.804 -10.570 309 HA LYS 41 HA LYS 41 6.723 -8.575 -9.105 310 1HB LYS 41 2HB LYS 41 5.951 -8.861 -11.487 311 2HB LYS 41 1HB LYS 41 7.200 -7.725 -11.962 312 1HG LYS 41 2HG LYS 41 8.905 -9.205 -11.038 313 2HG LYS 41 1HG LYS 41 7.653 -10.358 -10.579 314 1HD LYS 41 2HD LYS 41 7.026 -10.585 -12.951 315 2HD LYS 41 1HD LYS 41 8.327 -9.475 -13.385 316 1HE LYS 41 2HE LYS 41 9.963 -11.014 -12.423 317 2HE LYS 41 1HE LYS 41 8.667 -12.120 -11.980 318 1HZ LYS 41 1HZ LYS 41 9.708 -12.849 -13.999 319 2HZ LYS 41 2HZ LYS 41 9.461 -11.341 -14.731 320 3HZ LYS 41 3HZ LYS 41 8.132 -12.327 -14.356 321 H ASN 42 H ASN 42 7.487 -5.558 -10.751 322 HA ASN 42 HA ASN 42 10.246 -5.506 -10.372 323 1HB ASN 42 2HB ASN 42 8.227 -3.270 -10.537 324 2HB ASN 42 1HB ASN 42 9.957 -2.970 -10.434 325 1HD2 ASN 42 1HD2 ASN 42 8.146 -2.298 -12.575 326 2HD2 ASN 42 2HD2 ASN 42 8.729 -3.103 -13.989 327 H TRP 43 H TRP 43 7.659 -4.496 -8.177 328 HA TRP 43 HA TRP 43 9.345 -3.473 -6.144 329 1HB TRP 43 2HB TRP 43 6.541 -4.604 -6.043 330 2HB TRP 43 1HB TRP 43 7.344 -3.890 -4.649 331 HD1 TRP 43 HD TRP 43 8.357 -1.879 -7.522 332 HE1 TRP 43 1HE TRP 43 6.925 0.249 -7.724 333 HE3 TRP 43 3HE TRP 43 4.566 -3.154 -4.339 334 HZ2 TRP 43 2HZ TRP 43 4.502 1.256 -6.663 335 HZ3 TRP 43 3HZ TRP 43 2.731 -1.557 -3.988 336 HH2 TRP 43 HH TRP 43 2.700 0.602 -5.128 337 H ILE 44 H ILE 44 8.005 -6.655 -6.799 338 HA ILE 44 HA ILE 44 8.887 -7.947 -4.459 339 HB ILE 44 HB ILE 44 8.390 -9.136 -7.197 340 1HG1 ILE 44 2HG1 ILE 44 6.536 -8.939 -4.812 341 2HG1 ILE 44 1HG1 ILE 44 6.471 -7.876 -6.215 342 1HG2 ILE 44 1HG2 ILE 44 8.511 -10.450 -4.482 343 2HG2 ILE 44 2HG2 ILE 44 9.682 -10.640 -5.785 344 3HG2 ILE 44 3HG2 ILE 44 8.038 -11.245 -5.983 345 1HD1 ILE 44 1HD1 ILE 44 6.052 -10.852 -6.239 346 2HD1 ILE 44 2HD1 ILE 44 5.977 -9.784 -7.640 347 3HD1 ILE 44 3HD1 ILE 44 4.792 -9.623 -6.345 348 H ILE 45 H ILE 45 10.401 -7.451 -7.611 349 HA ILE 45 HA ILE 45 12.658 -9.075 -7.229 350 HB ILE 45 HB ILE 45 12.395 -6.542 -8.865 351 1HG1 ILE 45 2HG1 ILE 45 12.227 -9.455 -9.670 352 2HG1 ILE 45 1HG1 ILE 45 10.849 -8.377 -9.485 353 1HG2 ILE 45 1HG2 ILE 45 14.741 -7.018 -8.414 354 2HG2 ILE 45 2HG2 ILE 45 14.361 -7.347 -10.104 355 3HG2 ILE 45 3HG2 ILE 45 14.528 -8.681 -8.961 356 1HD1 ILE 45 1HD1 ILE 45 13.073 -8.056 -11.480 357 2HD1 ILE 45 2HD1 ILE 45 11.678 -6.993 -11.309 358 3HD1 ILE 45 3HD1 ILE 45 11.458 -8.667 -11.818 359 H LYS 46 H LYS 46 12.135 -5.640 -6.520 360 HA LYS 46 HA LYS 46 14.791 -5.138 -5.677 361 1HB LYS 46 2HB LYS 46 13.279 -3.365 -6.460 362 2HB LYS 46 1HB LYS 46 12.259 -3.609 -5.049 363 1HG LYS 46 2HG LYS 46 14.009 -2.850 -3.588 364 2HG LYS 46 1HG LYS 46 15.139 -2.744 -4.938 365 1HD LYS 46 2HD LYS 46 13.699 -1.019 -5.968 366 2HD LYS 46 1HD LYS 46 12.637 -1.094 -4.561 367 1HE LYS 46 2HE LYS 46 14.468 -0.377 -3.123 368 2HE LYS 46 1HE LYS 46 15.564 -0.355 -4.503 369 1HZ LYS 46 1HZ LYS 46 13.154 1.365 -4.193 370 2HZ LYS 46 2HZ LYS 46 14.238 1.402 -5.490 371 3HZ LYS 46 3HZ LYS 46 14.756 1.863 -3.943 372 H TYR 47 H TYR 47 11.787 -5.568 -3.772 373 HA TYR 47 HA TYR 47 13.359 -5.442 -1.335 374 1HB TYR 47 2HB TYR 47 10.388 -5.585 -1.838 375 2HB TYR 47 1HB TYR 47 11.091 -5.622 -0.223 376 HD1 TYR 47 1HD TYR 47 11.775 -3.625 0.846 377 HD2 TYR 47 2HD TYR 47 10.800 -3.575 -3.296 378 HE1 TYR 47 1HE TYR 47 11.892 -1.165 0.852 379 HE2 TYR 47 2HE TYR 47 10.914 -1.123 -3.299 380 HH TYR 47 HH TYR 47 12.193 0.674 -0.644 381 H GLY 48 H GLY 48 12.006 -7.881 -3.343 382 1HA GLY 48 2HA GLY 48 11.819 -9.922 -1.350 383 2HA GLY 48 1HA GLY 48 11.834 -10.164 -3.093 384 H SER 49 H SER 49 14.384 -8.725 -3.416 385 HA SER 49 HA SER 49 16.137 -10.944 -2.895 386 1HB SER 49 2HB SER 49 16.818 -8.210 -4.019 387 2HB SER 49 1HB SER 49 17.800 -9.666 -4.132 388 HG SER 49 HG SER 49 15.398 -9.017 -5.464 389 H ASN 50 H ASN 50 16.283 -7.493 -2.055 390 HA ASN 50 HA ASN 50 16.507 -7.548 0.630 391 1HB ASN 50 2HB ASN 50 18.486 -9.050 0.363 392 2HB ASN 50 1HB ASN 50 19.314 -7.752 -0.492 393 1HD2 ASN 50 1HD2 ASN 50 20.928 -7.420 0.956 394 2HD2 ASN 50 2HD2 ASN 50 20.674 -6.812 2.565 395 H HIS 51 H HIS 51 18.893 -6.306 -1.688 396 HA HIS 51 HA HIS 51 17.790 -3.624 -1.437 397 1HB HIS 51 2HB HIS 51 20.110 -4.486 0.007 398 2HB HIS 51 1HB HIS 51 20.579 -3.273 -1.174 399 HD1 HIS 51 1HD HIS 51 20.958 -1.342 0.406 400 HD2 HIS 51 2HD HIS 51 17.212 -3.100 0.855 401 HE1 HIS 51 1HE HIS 51 19.665 0.181 1.943 402 HE2 HIS 51 2HE HIS 51 17.363 -0.836 2.099 403 H ASN 52 H ASN 52 17.641 -2.867 -3.364 404 HA ASN 52 HA ASN 52 19.800 -2.915 -5.260 405 1HB ASN 52 2HB ASN 52 18.668 -5.131 -5.644 406 2HB ASN 52 1HB ASN 52 17.188 -4.258 -6.022 407 1HD2 ASN 52 1HD2 ASN 52 20.329 -5.169 -7.106 408 2HD2 ASN 52 2HD2 ASN 52 20.157 -4.621 -8.733 409 H VAL 53 H VAL 53 19.754 -0.753 -5.561 410 HA VAL 53 HA VAL 53 17.389 0.766 -5.182 411 HB VAL 53 HB VAL 53 19.925 1.694 -6.538 412 1HG1 VAL 53 1HG1 VAL 53 17.770 3.180 -5.050 413 2HG1 VAL 53 2HG1 VAL 53 18.080 3.237 -6.786 414 3HG1 VAL 53 3HG1 VAL 53 19.264 3.895 -5.655 415 1HG2 VAL 53 1HG2 VAL 53 20.669 2.416 -4.312 416 2HG2 VAL 53 2HG2 VAL 53 20.479 0.666 -4.399 417 3HG2 VAL 53 3HG2 VAL 53 19.254 1.646 -3.596 418 H GLN 54 H GLN 54 19.390 0.721 -8.122 419 HA GLN 54 HA GLN 54 17.154 -0.019 -9.790 420 1HB GLN 54 2HB GLN 54 18.395 2.731 -9.909 421 2HB GLN 54 1HB GLN 54 17.589 2.013 -11.294 422 1HG GLN 54 2HG GLN 54 15.505 2.116 -10.297 423 2HG GLN 54 1HG GLN 54 16.176 2.255 -8.671 424 1HE2 GLN 54 1HE2 GLN 54 18.158 4.218 -9.547 425 2HE2 GLN 54 2HE2 GLN 54 17.296 5.704 -9.725 426 H GLY 55 H GLY 55 18.063 -1.506 -11.104 427 1HA GLY 55 2HA GLY 55 19.370 -1.825 -13.091 428 2HA GLY 55 1HA GLY 55 20.582 -0.749 -12.412 429 H THR 56 H THR 56 20.795 -3.461 -13.479 430 HA THR 56 HA THR 56 22.528 -4.492 -11.436 431 HB THR 56 HB THR 56 20.620 -6.457 -12.578 432 HG1 THR 56 1HG THR 56 19.991 -4.544 -10.754 433 1HG2 THR 56 1HG2 THR 56 22.640 -7.300 -11.535 434 2HG2 THR 56 2HG2 THR 56 21.235 -7.732 -10.563 435 3HG2 THR 56 3HG2 THR 56 22.270 -6.397 -10.060 436 H THR 57 H THR 57 24.274 -4.575 -12.625 437 HA THR 57 HA THR 57 24.202 -6.066 -15.138 438 HB THR 57 HB THR 57 23.996 -3.721 -15.776 439 HG1 THR 57 1HG THR 57 25.102 -4.725 -17.320 440 1HG2 THR 57 1HG2 THR 57 26.629 -3.306 -14.360 441 2HG2 THR 57 2HG2 THR 57 25.066 -2.663 -13.859 442 3HG2 THR 57 3HG2 THR 57 25.801 -2.116 -15.366 443 HA PRO 58 HA PRO 58 28.033 -7.482 -13.297 444 1HB PRO 58 2HB PRO 58 27.890 -9.966 -14.350 445 2HB PRO 58 1HB PRO 58 26.907 -9.459 -12.974 446 1HG PRO 58 2HG PRO 58 26.085 -10.039 -15.722 447 2HG PRO 58 1HG PRO 58 25.088 -9.874 -14.268 448 1HD PRO 58 2HD PRO 58 25.638 -7.910 -16.359 449 2HD PRO 58 1HD PRO 58 24.429 -7.851 -15.060 450 H SER 59 H SER 59 29.657 -6.360 -14.379 451 HA SER 59 HA SER 59 30.189 -6.822 -17.171 452 1HB SER 59 2HB SER 59 31.902 -5.381 -15.140 453 2HB SER 59 1HB SER 59 32.003 -5.246 -16.896 454 HG SER 59 HG SER 59 29.648 -4.570 -16.634 455 H ALA 60 H ALA 60 31.849 -7.602 -14.112 456 HA ALA 60 HA ALA 60 33.979 -8.972 -15.473 457 1HB ALA 60 1HB ALA 60 33.304 -8.899 -12.534 458 2HB ALA 60 2HB ALA 60 34.380 -7.785 -13.376 459 3HB ALA 60 3HB ALA 60 34.809 -9.488 -13.237 460 H ALA 61 H ALA 61 30.893 -9.848 -14.257 461 HA ALA 61 HA ALA 61 31.481 -12.601 -13.771 462 1HB ALA 61 1HB ALA 61 28.799 -11.286 -14.156 463 2HB ALA 61 2HB ALA 61 29.654 -11.445 -12.624 464 3HB ALA 61 3HB ALA 61 29.091 -12.886 -13.468 465 H VAL 62 H VAL 62 31.260 -10.910 -16.583 466 HA VAL 62 HA VAL 62 29.888 -12.794 -18.225 467 HB VAL 62 HB VAL 62 31.879 -10.659 -19.016 468 1HG1 VAL 62 1HG1 VAL 62 29.916 -12.192 -20.719 469 2HG1 VAL 62 2HG1 VAL 62 31.669 -12.386 -20.729 470 3HG1 VAL 62 3HG1 VAL 62 30.944 -10.868 -21.267 471 1HG2 VAL 62 1HG2 VAL 62 29.920 -9.731 -17.906 472 2HG2 VAL 62 2HG2 VAL 62 28.863 -10.618 -19.002 473 3HG2 VAL 62 3HG2 VAL 62 29.904 -9.338 -19.625 474 H SER 63 H SER 63 33.317 -12.040 -17.749 475 HA SER 63 HA SER 63 34.183 -14.356 -19.207 476 1HB SER 63 2HB SER 63 35.743 -12.524 -17.367 477 2HB SER 63 1HB SER 63 36.437 -13.708 -18.477 478 HG SER 63 HG SER 63 34.803 -11.498 -19.213 479 H GLU 64 H GLU 64 33.561 -13.546 -15.872 480 HA GLU 64 HA GLU 64 34.830 -15.790 -14.707 481 1HB GLU 64 2HB GLU 64 34.047 -13.624 -13.571 482 2HB GLU 64 1HB GLU 64 32.454 -14.365 -13.534 483 1HG GLU 64 2HG GLU 64 33.443 -14.752 -11.428 484 2HG GLU 64 1HG GLU 64 33.479 -16.285 -12.299 485 H ALA 65 H ALA 65 31.805 -15.327 -16.281 486 HA ALA 65 HA ALA 65 30.288 -17.418 -15.212 487 1HB ALA 65 1HB ALA 65 30.212 -16.350 -18.028 488 2HB ALA 65 2HB ALA 65 29.357 -15.663 -16.648 489 3HB ALA 65 3HB ALA 65 28.942 -17.276 -17.228 490 H GLU 66 H GLU 66 32.911 -17.461 -17.482 491 HA GLU 66 HA GLU 66 32.618 -19.965 -18.660 492 1HB GLU 66 2HB GLU 66 34.774 -18.043 -18.039 493 2HB GLU 66 1HB GLU 66 35.296 -19.682 -18.330 494 1HG GLU 66 2HG GLU 66 33.726 -17.919 -20.195 495 2HG GLU 66 1HG GLU 66 35.412 -18.403 -20.366 496 H GLN 67 H GLN 67 34.299 -18.937 -15.777 497 HA GLN 67 HA GLN 67 35.134 -21.580 -15.040 498 1HB GLN 67 2HB GLN 67 36.475 -19.509 -14.812 499 2HB GLN 67 1HB GLN 67 35.340 -18.940 -13.604 500 1HG GLN 67 2HG GLN 67 36.057 -20.489 -12.030 501 2HG GLN 67 1HG GLN 67 36.816 -21.512 -13.259 502 1HE2 GLN 67 1HE2 GLN 67 36.976 -18.359 -11.738 503 2HE2 GLN 67 2HE2 GLN 67 38.659 -18.110 -12.009 504 H ILE 68 H ILE 68 32.675 -19.275 -14.044 505 HA ILE 68 HA ILE 68 31.797 -20.641 -11.740 506 HB ILE 68 HB ILE 68 30.255 -18.880 -13.661 507 1HG1 ILE 68 2HG1 ILE 68 31.437 -18.307 -10.932 508 2HG1 ILE 68 1HG1 ILE 68 32.110 -17.777 -12.469 509 1HG2 ILE 68 1HG2 ILE 68 29.417 -19.842 -10.934 510 2HG2 ILE 68 2HG2 ILE 68 28.711 -20.342 -12.469 511 3HG2 ILE 68 3HG2 ILE 68 28.549 -18.671 -11.926 512 1HD1 ILE 68 1HD1 ILE 68 30.935 -15.970 -11.380 513 2HD1 ILE 68 2HD1 ILE 68 29.465 -16.939 -11.303 514 3HD1 ILE 68 3HD1 ILE 68 30.101 -16.428 -12.864 515 H ARG 69 H ARG 69 30.922 -20.935 -15.162 516 HA ARG 69 HA ARG 69 28.939 -22.892 -14.920 517 1HB ARG 69 2HB ARG 69 29.493 -21.682 -17.018 518 2HB ARG 69 1HB ARG 69 30.976 -22.620 -17.137 519 1HG ARG 69 2HG ARG 69 29.509 -24.682 -17.138 520 2HG ARG 69 1HG ARG 69 28.143 -23.589 -17.365 521 1HD ARG 69 2HD ARG 69 28.767 -24.318 -19.522 522 2HD ARG 69 1HD ARG 69 29.373 -22.669 -19.368 523 HE ARG 69 HE ARG 69 31.062 -25.075 -19.088 524 1HH1 ARG 69 1HH1 ARG 69 30.599 -21.751 -20.061 525 2HH1 ARG 69 2HH1 ARG 69 32.188 -21.590 -20.752 526 1HH2 ARG 69 1HH2 ARG 69 33.142 -24.902 -20.027 527 2HH2 ARG 69 2HH2 ARG 69 33.629 -23.402 -20.752 528 H GLN 70 H GLN 70 32.440 -23.162 -15.199 529 HA GLN 70 HA GLN 70 32.711 -25.922 -15.388 530 1HB GLN 70 2HB GLN 70 34.448 -24.084 -15.680 531 2HB GLN 70 1HB GLN 70 34.589 -24.071 -13.936 532 1HG GLN 70 2HG GLN 70 34.912 -26.671 -15.305 533 2HG GLN 70 1HG GLN 70 36.199 -25.479 -15.483 534 1HE2 GLN 70 1HE2 GLN 70 37.391 -24.856 -13.660 535 2HE2 GLN 70 2HE2 GLN 70 37.363 -25.785 -12.195 536 H LEU 71 H LEU 71 32.762 -23.826 -12.548 537 HA LEU 71 HA LEU 71 33.058 -25.876 -10.629 538 1HB LEU 71 2HB LEU 71 33.558 -23.524 -10.172 539 2HB LEU 71 1HB LEU 71 31.861 -23.119 -10.341 540 HG LEU 71 HG LEU 71 31.363 -24.556 -8.376 541 1HD1 LEU 71 1HD1 LEU 71 34.362 -24.700 -8.118 542 2HD1 LEU 71 2HD1 LEU 71 33.294 -26.043 -8.522 543 3HD1 LEU 71 3HD1 LEU 71 33.189 -25.281 -6.935 544 1HD2 LEU 71 1HD2 LEU 71 32.253 -23.004 -6.708 545 2HD2 LEU 71 2HD2 LEU 71 31.628 -22.151 -8.118 546 3HD2 LEU 71 3HD2 LEU 71 33.366 -22.354 -7.909 547 H LYS 72 H LYS 72 30.214 -24.330 -12.045 548 HA LYS 72 HA LYS 72 28.349 -25.562 -10.285 549 1HB LYS 72 2HB LYS 72 27.889 -23.472 -11.537 550 2HB LYS 72 1HB LYS 72 27.860 -24.399 -13.030 551 1HG LYS 72 2HG LYS 72 25.940 -25.653 -12.244 552 2HG LYS 72 1HG LYS 72 25.993 -24.800 -10.701 553 1HD LYS 72 2HD LYS 72 25.641 -22.671 -11.943 554 2HD LYS 72 1HD LYS 72 25.428 -23.618 -13.417 555 1HE LYS 72 2HE LYS 72 23.516 -24.755 -12.442 556 2HE LYS 72 1HE LYS 72 23.751 -23.895 -10.921 557 1HZ LYS 72 1HZ LYS 72 22.024 -22.827 -12.137 558 2HZ LYS 72 2HZ LYS 72 22.974 -22.719 -13.537 559 3HZ LYS 72 3HZ LYS 72 23.372 -21.799 -12.165 560 H LYS 73 H LYS 73 29.113 -26.180 -13.697 561 HA LYS 73 HA LYS 73 28.251 -28.963 -13.307 562 1HB LYS 73 2HB LYS 73 26.499 -27.677 -14.520 563 2HB LYS 73 1HB LYS 73 27.683 -27.269 -15.754 564 1HG LYS 73 2HG LYS 73 27.926 -29.613 -16.326 565 2HG LYS 73 1HG LYS 73 26.795 -30.057 -15.049 566 1HD LYS 73 2HD LYS 73 26.154 -28.339 -17.444 567 2HD LYS 73 1HD LYS 73 25.728 -30.041 -17.258 568 1HE LYS 73 2HE LYS 73 24.785 -27.768 -15.512 569 2HE LYS 73 1HE LYS 73 23.833 -28.593 -16.744 570 1HZ LYS 73 1HZ LYS 73 24.923 -29.813 -14.258 571 2HZ LYS 73 2HZ LYS 73 24.077 -30.655 -15.464 572 3HZ LYS 73 3HZ LYS 73 23.294 -29.443 -14.567 573 H GLU 74 H GLU 74 29.647 -30.439 -14.068 574 HA GLU 74 HA GLU 74 32.279 -29.675 -14.491 575 1HB GLU 74 2HB GLU 74 30.859 -32.279 -14.990 576 2HB GLU 74 1HB GLU 74 32.603 -32.090 -15.167 577 1HG GLU 74 2HG GLU 74 32.882 -31.568 -12.881 578 2HG GLU 74 1HG GLU 74 31.149 -31.348 -12.648 579 H ASN 75 H ASN 75 33.417 -29.060 -16.098 580 HA ASN 75 HA ASN 75 32.236 -28.111 -18.445 581 1HB ASN 75 2HB ASN 75 34.319 -27.271 -17.283 582 2HB ASN 75 1HB ASN 75 35.181 -28.608 -18.027 583 1HD2 ASN 75 1HD2 ASN 75 36.515 -27.337 -19.236 584 2HD2 ASN 75 2HD2 ASN 75 35.958 -26.393 -20.580 585 H ALA 76 H ALA 76 33.774 -31.120 -17.738 586 HA ALA 76 HA ALA 76 34.569 -31.999 -20.239 587 1HB ALA 76 1HB ALA 76 33.398 -33.672 -18.027 588 2HB ALA 76 2HB ALA 76 35.084 -33.178 -18.161 589 3HB ALA 76 3HB ALA 76 34.383 -34.261 -19.364 590 H LEU 77 H LEU 77 31.357 -31.673 -18.980 591 HA LEU 77 HA LEU 77 30.072 -33.485 -20.753 592 1HB LEU 77 2HB LEU 77 29.014 -31.150 -19.166 593 2HB LEU 77 1HB LEU 77 28.014 -32.308 -20.014 594 HG LEU 77 HG LEU 77 29.864 -32.956 -17.721 595 1HD1 LEU 77 1HD1 LEU 77 27.805 -33.314 -16.451 596 2HD1 LEU 77 2HD1 LEU 77 26.858 -32.760 -17.833 597 3HD1 LEU 77 3HD1 LEU 77 27.947 -31.646 -17.006 598 1HD2 LEU 77 1HD2 LEU 77 27.875 -34.670 -19.206 599 2HD2 LEU 77 2HD2 LEU 77 28.771 -35.146 -17.763 600 3HD2 LEU 77 3HD2 LEU 77 29.632 -34.817 -19.266 601 H GLN 78 H GLN 78 31.072 -30.148 -21.003 602 HA GLN 78 HA GLN 78 29.361 -29.600 -23.268 603 1HB GLN 78 2HB GLN 78 31.515 -28.017 -21.889 604 2HB GLN 78 1HB GLN 78 30.776 -27.469 -23.387 605 1HG GLN 78 2HG GLN 78 29.391 -27.965 -20.761 606 2HG GLN 78 1HG GLN 78 29.705 -26.404 -21.519 607 1HE2 GLN 78 1HE2 GLN 78 27.167 -27.462 -20.706 608 2HE2 GLN 78 2HE2 GLN 78 26.185 -27.600 -22.130 609 H ARG 79 H ARG 79 32.541 -30.822 -22.745 610 HA ARG 79 HA ARG 79 33.634 -30.095 -25.264 611 1HB ARG 79 2HB ARG 79 34.462 -32.038 -23.137 612 2HB ARG 79 1HB ARG 79 35.293 -31.997 -24.688 613 1HG ARG 79 2HG ARG 79 35.691 -29.562 -24.328 614 2HG ARG 79 1HG ARG 79 35.026 -29.753 -22.708 615 1HD ARG 79 2HD ARG 79 36.800 -31.142 -22.030 616 2HD ARG 79 1HD ARG 79 37.321 -31.421 -23.693 617 HE ARG 79 HE ARG 79 37.579 -28.735 -23.387 618 1HH1 ARG 79 1HH1 ARG 79 38.757 -31.452 -21.506 619 2HH1 ARG 79 2HH1 ARG 79 40.239 -30.658 -21.059 620 1HH2 ARG 79 1HH2 ARG 79 39.528 -27.703 -22.828 621 2HH2 ARG 79 2HH2 ARG 79 40.681 -28.532 -21.822 622 H ALA 80 H ALA 80 31.374 -32.426 -24.387 623 HA ALA 80 HA ALA 80 31.858 -34.430 -26.312 624 1HB ALA 80 1HB ALA 80 29.243 -33.550 -25.091 625 2HB ALA 80 2HB ALA 80 30.333 -34.775 -24.445 626 3HB ALA 80 3HB ALA 80 29.508 -35.048 -25.979 627 H ARG 81 H ARG 81 30.724 -31.220 -26.589 628 HA ARG 81 HA ARG 81 29.121 -31.460 -28.921 629 1HB ARG 81 2HB ARG 81 30.531 -29.125 -27.657 630 2HB ARG 81 1HB ARG 81 29.541 -28.974 -29.095 631 1HG ARG 81 2HG ARG 81 27.632 -29.899 -27.794 632 2HG ARG 81 1HG ARG 81 28.655 -29.845 -26.356 633 1HD ARG 81 2HD ARG 81 28.957 -27.421 -26.708 634 2HD ARG 81 1HD ARG 81 27.851 -27.504 -28.077 635 HE ARG 81 HE ARG 81 27.095 -28.036 -25.272 636 1HH1 ARG 81 1HH1 ARG 81 26.321 -26.972 -28.522 637 2HH1 ARG 81 2HH1 ARG 81 24.723 -26.422 -28.103 638 1HH2 ARG 81 1HH2 ARG 81 24.997 -27.325 -24.707 639 2HH2 ARG 81 2HH2 ARG 81 23.977 -26.607 -25.922 640 H THR 82 H THR 82 32.470 -31.507 -28.447 641 HA THR 82 HA THR 82 33.505 -30.391 -30.761 642 HB THR 82 HB THR 82 34.547 -32.912 -29.463 643 HG1 THR 82 1HG THR 82 34.671 -31.638 -27.758 644 1HG2 THR 82 1HG2 THR 82 35.640 -32.324 -31.568 645 2HG2 THR 82 2HG2 THR 82 36.731 -32.079 -30.203 646 3HG2 THR 82 3HG2 THR 82 35.944 -30.695 -30.964 647 H ARG 83 H ARG 83 32.042 -33.496 -30.229 648 HA ARG 83 HA ARG 83 31.206 -35.105 -31.535 649 1HB ARG 83 2HB ARG 83 30.025 -33.105 -32.416 650 2HB ARG 83 1HB ARG 83 31.208 -33.036 -33.708 651 1HG ARG 83 2HG ARG 83 30.526 -35.248 -34.442 652 2HG ARG 83 1HG ARG 83 29.335 -35.316 -33.144 653 1HD ARG 83 2HD ARG 83 28.290 -33.256 -34.089 654 2HD ARG 83 1HD ARG 83 29.388 -33.384 -35.461 655 HE ARG 83 HE ARG 83 28.272 -35.733 -35.634 656 1HH1 ARG 83 1HH1 ARG 83 26.707 -32.727 -34.731 657 2HH1 ARG 83 2HH1 ARG 83 25.176 -33.167 -35.423 658 1HH2 ARG 83 1HH2 ARG 83 26.242 -36.334 -36.530 659 2HH2 ARG 83 2HH2 ARG 83 24.900 -35.226 -36.415 660 H HIS 84 H HIS 84 32.384 -36.733 -32.008 661 HA HIS 84 HA HIS 84 34.600 -36.435 -33.938 662 1HB HIS 84 2HB HIS 84 35.467 -36.678 -31.653 663 2HB HIS 84 1HB HIS 84 34.532 -38.153 -31.443 664 HD1 HIS 84 1HD HIS 84 35.651 -40.294 -32.083 665 HD2 HIS 84 2HD HIS 84 37.593 -36.956 -33.636 666 HE1 HIS 84 1HE HIS 84 37.786 -41.158 -33.098 667 HE2 HIS 84 2HE HIS 84 39.016 -39.105 -33.898 668 HA PRO 85 HA PRO 85 32.183 -39.853 -35.679 669 1HB PRO 85 2HB PRO 85 32.456 -39.175 -38.239 670 2HB PRO 85 1HB PRO 85 31.352 -38.286 -37.181 671 1HG PRO 85 2HG PRO 85 34.077 -37.530 -38.149 672 2HG PRO 85 1HG PRO 85 32.647 -36.508 -37.909 673 1HD PRO 85 2HD PRO 85 34.788 -36.782 -36.131 674 2HD PRO 85 1HD PRO 85 33.194 -36.109 -35.737 675 H ALA 86 H ALA 86 32.920 -41.170 -37.841 676 HA ALA 86 HA ALA 86 35.808 -41.678 -37.596 677 1HB ALA 86 1HB ALA 86 35.390 -44.051 -37.936 678 2HB ALA 86 2HB ALA 86 33.653 -43.749 -38.024 679 3HB ALA 86 3HB ALA 86 34.523 -43.468 -36.515 680 H GLU 87 H GLU 87 36.892 -42.232 -39.494 681 HA GLU 87 HA GLU 87 36.059 -40.993 -41.855 682 1HB GLU 87 2HB GLU 87 37.921 -42.230 -42.947 683 2HB GLU 87 1HB GLU 87 38.404 -41.432 -41.456 684 1HG GLU 87 2HG GLU 87 38.381 -43.509 -40.268 685 2HG GLU 87 1HG GLU 87 37.688 -44.347 -41.655 686 H SER 88 H SER 88 35.592 -44.254 -40.714 687 HA SER 88 HA SER 88 34.770 -45.512 -43.071 688 1HB SER 88 2HB SER 88 33.685 -46.066 -40.300 689 2HB SER 88 1HB SER 88 33.865 -47.206 -41.635 690 HG SER 88 HG SER 88 35.820 -47.556 -40.995 691 H CYS 89 H CYS 89 32.999 -43.553 -40.735 692 HA CYS 89 HA CYS 89 30.427 -44.161 -41.857 693 1HB CYS 89 2HB CYS 89 30.719 -43.682 -39.444 694 2HB CYS 89 1HB CYS 89 31.205 -42.038 -39.842 695 HG CYS 89 HG CYS 89 28.542 -41.897 -41.289 696 H LEU 90 H LEU 90 32.885 -41.847 -42.409 697 HA LEU 90 HA LEU 90 31.409 -39.635 -43.273 698 1HB LEU 90 2HB LEU 90 33.804 -39.571 -42.762 699 2HB LEU 90 1HB LEU 90 34.139 -40.561 -44.170 700 HG LEU 90 HG LEU 90 33.284 -38.751 -45.621 701 1HD1 LEU 90 1HD1 LEU 90 33.151 -37.150 -43.072 702 2HD1 LEU 90 2HD1 LEU 90 31.759 -37.725 -43.991 703 3HD1 LEU 90 3HD1 LEU 90 32.866 -36.549 -44.707 704 1HD2 LEU 90 1HD2 LEU 90 35.669 -38.938 -45.134 705 2HD2 LEU 90 2HD2 LEU 90 35.461 -37.909 -43.716 706 3HD2 LEU 90 3HD2 LEU 90 35.182 -37.254 -45.330 707 H GLU 91 H GLU 91 32.540 -42.472 -45.053 708 HA GLU 91 HA GLU 91 31.843 -41.553 -47.629 709 1HB GLU 91 2HB GLU 91 32.757 -44.041 -46.439 710 2HB GLU 91 1HB GLU 91 31.592 -44.317 -47.726 711 1HG GLU 91 2HG GLU 91 33.829 -44.355 -48.609 712 2HG GLU 91 1HG GLU 91 32.956 -42.958 -49.236 713 H HIS 92 H HIS 92 30.041 -43.369 -45.201 714 HA HIS 92 HA HIS 92 27.845 -43.901 -46.973 715 1HB HIS 92 2HB HIS 92 28.519 -45.368 -45.024 716 2HB HIS 92 1HB HIS 92 27.851 -44.134 -43.962 717 HD1 HIS 92 1HD HIS 92 25.242 -43.845 -43.968 718 HD2 HIS 92 2HD HIS 92 26.671 -46.970 -46.315 719 HE1 HIS 92 1HE HIS 92 23.236 -45.270 -44.502 720 HE2 HIS 92 2HE HIS 92 24.095 -47.006 -46.118 721 H HIS 93 H HIS 93 26.692 -42.204 -47.658 722 HA HIS 93 HA HIS 93 25.724 -40.315 -45.614 723 1HB HIS 93 2HB HIS 93 27.371 -39.237 -47.087 724 2HB HIS 93 1HB HIS 93 26.420 -39.696 -48.494 725 HD1 HIS 93 1HD HIS 93 25.025 -37.857 -49.359 726 HD2 HIS 93 2HD HIS 93 25.668 -37.514 -45.262 727 HE1 HIS 93 1HE HIS 93 23.855 -35.738 -48.661 728 HE2 HIS 93 2HE HIS 93 24.169 -35.601 -46.158 729 H HIS 94 H HIS 94 23.778 -41.223 -45.258 730 HA HIS 94 HA HIS 94 22.042 -42.284 -47.185 731 1HB HIS 94 2HB HIS 94 21.781 -42.763 -44.810 732 2HB HIS 94 1HB HIS 94 21.422 -41.073 -44.479 733 HD1 HIS 94 1HD HIS 94 19.015 -40.658 -44.163 734 HD2 HIS 94 2HD HIS 94 19.700 -43.813 -46.789 735 HE1 HIS 94 1HE HIS 94 16.737 -41.493 -44.840 736 HE2 HIS 94 2HE HIS 94 17.174 -43.464 -46.351 737 H HIS 95 H HIS 95 20.810 -41.378 -48.675 738 HA HIS 95 HA HIS 95 19.712 -38.723 -48.262 739 1HB HIS 95 2HB HIS 95 20.522 -37.832 -50.396 740 2HB HIS 95 1HB HIS 95 21.868 -38.238 -49.343 741 HD1 HIS 95 1HD HIS 95 21.326 -38.219 -52.706 742 HD2 HIS 95 2HD HIS 95 22.445 -41.299 -50.144 743 HE1 HIS 95 1HE HIS 95 22.443 -39.940 -54.159 744 HE2 HIS 95 2HE HIS 95 23.304 -41.680 -52.558 745 H HIS 96 H HIS 96 17.861 -38.321 -49.491 746 HA HIS 96 HA HIS 96 16.965 -40.390 -51.329 747 1HB HIS 96 2HB HIS 96 16.191 -41.227 -49.170 748 2HB HIS 96 1HB HIS 96 15.431 -39.682 -48.817 749 HD1 HIS 96 1HD HIS 96 15.165 -42.430 -51.433 750 HD2 HIS 96 2HD HIS 96 12.814 -39.589 -49.510 751 HE1 HIS 96 1HE HIS 96 12.815 -42.850 -52.222 752 HE2 HIS 96 2HE HIS 96 11.459 -40.963 -51.237 753 H HIS 97 H HIS 97 16.228 -39.373 -53.048 754 HA HIS 97 HA HIS 97 14.510 -37.038 -52.694 755 1HB HIS 97 2HB HIS 97 16.772 -36.143 -53.094 756 2HB HIS 97 1HB HIS 97 16.895 -37.104 -54.563 757 HD1 HIS 97 1HD HIS 97 16.493 -35.778 -56.588 758 HD2 HIS 97 2HD HIS 97 14.327 -34.318 -53.349 759 HE1 HIS 97 1HE HIS 97 15.240 -33.776 -57.456 760 HE2 HIS 97 2HE HIS 97 14.050 -32.825 -55.445 Start of MODEL 12 1 1H MET 1 1HT MET 1 -10.089 12.742 -3.117 2 2H MET 1 2HT MET 1 -10.211 12.336 -1.475 3 3H MET 1 3HT MET 1 -10.906 11.331 -2.654 4 HA MET 1 HA MET 1 -8.850 10.399 -1.797 5 1HB MET 1 2HB MET 1 -9.541 9.960 -4.130 6 2HB MET 1 1HB MET 1 -8.655 11.384 -4.656 7 1HG MET 1 2HG MET 1 -6.568 10.359 -3.899 8 2HG MET 1 1HG MET 1 -7.461 8.925 -3.396 9 1HE MET 1 1HE MET 1 -5.878 7.380 -4.818 10 2HE MET 1 2HE MET 1 -4.947 8.783 -5.341 11 3HE MET 1 3HE MET 1 -5.540 7.623 -6.531 12 HA PRO 2 HA PRO 2 -6.039 13.716 -0.572 13 1HB PRO 2 2HB PRO 2 -4.505 11.383 0.408 14 2HB PRO 2 1HB PRO 2 -5.017 12.835 1.275 15 1HG PRO 2 2HG PRO 2 -6.213 10.488 1.709 16 2HG PRO 2 1HG PRO 2 -7.138 12.001 1.695 17 1HD PRO 2 2HD PRO 2 -6.919 9.893 -0.417 18 2HD PRO 2 1HD PRO 2 -8.336 10.829 0.099 19 H THR 3 H THR 3 -4.509 10.665 -1.374 20 HA THR 3 HA THR 3 -3.467 11.423 -3.866 21 HB THR 3 HB THR 3 -2.039 12.921 -2.472 22 HG1 THR 3 1HG THR 3 -0.269 12.474 -3.648 23 1HG2 THR 3 1HG2 THR 3 -1.032 10.336 -1.281 24 2HG2 THR 3 2HG2 THR 3 -1.923 11.602 -0.436 25 3HG2 THR 3 3HG2 THR 3 -0.298 11.921 -1.043 26 H LYS 4 H LYS 4 -1.394 9.819 -4.234 27 HA LYS 4 HA LYS 4 -2.031 7.246 -2.964 28 1HB LYS 4 2HB LYS 4 -2.910 7.689 -5.425 29 2HB LYS 4 1HB LYS 4 -1.252 7.306 -5.850 30 1HG LYS 4 2HG LYS 4 -3.090 5.505 -4.285 31 2HG LYS 4 1HG LYS 4 -2.774 5.379 -6.014 32 1HD LYS 4 2HD LYS 4 -0.368 5.038 -5.492 33 2HD LYS 4 1HD LYS 4 -0.779 5.028 -3.777 34 1HE LYS 4 2HE LYS 4 -0.595 2.756 -4.565 35 2HE LYS 4 1HE LYS 4 -2.280 3.104 -4.186 36 1HZ LYS 4 1HZ LYS 4 -1.102 3.176 -6.914 37 2HZ LYS 4 2HZ LYS 4 -2.734 3.405 -6.525 38 3HZ LYS 4 3HZ LYS 4 -2.011 1.892 -6.287 39 H THR 5 H THR 5 -0.237 7.450 -1.656 40 HA THR 5 HA THR 5 2.371 7.853 -2.916 41 HB THR 5 HB THR 5 2.048 7.398 0.017 42 HG1 THR 5 1HG THR 5 0.430 8.916 -0.431 43 1HG2 THR 5 1HG2 THR 5 4.283 7.705 -0.909 44 2HG2 THR 5 2HG2 THR 5 3.849 9.060 0.132 45 3HG2 THR 5 3HG2 THR 5 3.786 9.240 -1.621 46 H TYR 6 H TYR 6 4.093 6.407 -2.572 47 HA TYR 6 HA TYR 6 3.401 3.729 -1.664 48 1HB TYR 6 2HB TYR 6 4.572 2.735 -3.558 49 2HB TYR 6 1HB TYR 6 3.240 3.726 -4.116 50 HD1 TYR 6 1HD TYR 6 6.608 2.907 -4.607 51 HD2 TYR 6 2HD TYR 6 3.933 6.213 -4.776 52 HE1 TYR 6 1HE TYR 6 8.164 4.079 -6.104 53 HE2 TYR 6 2HE TYR 6 5.483 7.392 -6.280 54 HH TYR 6 HH TYR 6 7.871 7.389 -6.838 55 H SER 7 H SER 7 4.596 3.612 0.121 56 HA SER 7 HA SER 7 7.346 4.627 0.062 57 1HB SER 7 2HB SER 7 5.734 3.766 2.475 58 2HB SER 7 1HB SER 7 7.231 4.699 2.465 59 HG SER 7 HG SER 7 4.874 5.695 2.529 60 H GLU 8 H GLU 8 8.772 3.269 1.708 61 HA GLU 8 HA GLU 8 9.309 0.748 0.710 62 1HB GLU 8 2HB GLU 8 10.481 0.343 2.898 63 2HB GLU 8 1HB GLU 8 10.926 1.846 2.098 64 1HG GLU 8 2HG GLU 8 9.449 3.087 3.596 65 2HG GLU 8 1HG GLU 8 8.982 1.581 4.385 66 H GLU 9 H GLU 9 7.044 1.727 3.157 67 HA GLU 9 HA GLU 9 6.318 -0.679 4.310 68 1HB GLU 9 2HB GLU 9 5.519 1.391 5.192 69 2HB GLU 9 1HB GLU 9 4.741 1.809 3.676 70 1HG GLU 9 2HG GLU 9 3.143 -0.012 3.998 71 2HG GLU 9 1HG GLU 9 3.921 -0.409 5.531 72 H PHE 10 H PHE 10 4.867 0.910 1.470 73 HA PHE 10 HA PHE 10 2.997 -1.156 0.985 74 1HB PHE 10 2HB PHE 10 2.811 1.243 0.205 75 2HB PHE 10 1HB PHE 10 4.009 0.861 -1.028 76 HD1 PHE 10 1HD PHE 10 0.721 -0.306 0.265 77 HD2 PHE 10 2HD PHE 10 3.292 0.135 -3.094 78 HE1 PHE 10 1HE PHE 10 -1.080 -1.093 -1.213 79 HE2 PHE 10 2HE PHE 10 1.497 -0.649 -4.576 80 HZ PHE 10 HZ PHE 10 -0.691 -1.264 -3.638 81 H LYS 11 H LYS 11 6.143 -0.384 -0.428 82 HA LYS 11 HA LYS 11 6.226 -2.388 -2.378 83 1HB LYS 11 2HB LYS 11 8.509 -1.194 -0.785 84 2HB LYS 11 1HB LYS 11 8.685 -2.118 -2.269 85 1HG LYS 11 2HG LYS 11 7.522 -0.410 -3.521 86 2HG LYS 11 1HG LYS 11 7.200 0.492 -2.037 87 1HD LYS 11 2HD LYS 11 9.574 0.849 -1.702 88 2HD LYS 11 1HD LYS 11 9.946 -0.132 -3.121 89 1HE LYS 11 2HE LYS 11 8.777 1.481 -4.538 90 2HE LYS 11 1HE LYS 11 8.402 2.459 -3.120 91 1HZ LYS 11 1HZ LYS 11 10.742 2.849 -2.773 92 2HZ LYS 11 2HZ LYS 11 10.341 3.286 -4.363 93 3HZ LYS 11 3HZ LYS 11 11.151 1.828 -4.065 94 H ARG 12 H ARG 12 7.248 -2.425 1.008 95 HA ARG 12 HA ARG 12 8.308 -5.045 1.033 96 1HB ARG 12 2HB ARG 12 8.730 -3.231 2.714 97 2HB ARG 12 1HB ARG 12 7.109 -3.492 3.331 98 1HG ARG 12 2HG ARG 12 7.759 -5.832 3.873 99 2HG ARG 12 1HG ARG 12 9.413 -5.426 3.397 100 1HD ARG 12 2HD ARG 12 9.312 -3.540 5.048 101 2HD ARG 12 1HD ARG 12 7.784 -4.208 5.615 102 HE ARG 12 HE ARG 12 9.995 -6.076 5.631 103 1HH1 ARG 12 1HH1 ARG 12 8.099 -3.733 7.421 104 2HH1 ARG 12 2HH1 ARG 12 8.731 -4.211 8.975 105 1HH2 ARG 12 1HH2 ARG 12 10.859 -6.687 7.689 106 2HH2 ARG 12 2HH2 ARG 12 10.290 -5.881 9.123 107 H ASP 13 H ASP 13 5.154 -3.715 1.902 108 HA ASP 13 HA ASP 13 3.991 -6.092 2.860 109 1HB ASP 13 2HB ASP 13 3.155 -3.706 3.154 110 2HB ASP 13 1HB ASP 13 2.517 -3.822 1.520 111 H ALA 14 H ALA 14 4.125 -4.650 -0.351 112 HA ALA 14 HA ALA 14 2.362 -6.368 -1.678 113 1HB ALA 14 1HB ALA 14 3.471 -5.646 -3.724 114 2HB ALA 14 2HB ALA 14 4.812 -4.997 -2.779 115 3HB ALA 14 3HB ALA 14 3.205 -4.282 -2.638 116 H VAL 15 H VAL 15 5.838 -6.676 -1.058 117 HA VAL 15 HA VAL 15 6.219 -9.053 -2.556 118 HB VAL 15 HB VAL 15 7.822 -8.045 -0.191 119 1HG1 VAL 15 1HG1 VAL 15 8.252 -10.395 -0.665 120 2HG1 VAL 15 2HG1 VAL 15 9.640 -9.406 -1.126 121 3HG1 VAL 15 3HG1 VAL 15 8.535 -10.013 -2.362 122 1HG2 VAL 15 1HG2 VAL 15 7.715 -6.381 -1.972 123 2HG2 VAL 15 2HG2 VAL 15 8.215 -7.595 -3.151 124 3HG2 VAL 15 3HG2 VAL 15 9.329 -7.089 -1.881 125 H ALA 16 H ALA 16 5.411 -8.406 0.828 126 HA ALA 16 HA ALA 16 5.544 -11.100 1.702 127 1HB ALA 16 1HB ALA 16 5.630 -9.178 3.242 128 2HB ALA 16 2HB ALA 16 4.367 -10.329 3.681 129 3HB ALA 16 3HB ALA 16 3.941 -8.824 2.868 130 H LEU 17 H LEU 17 2.945 -9.095 0.396 131 HA LEU 17 HA LEU 17 0.813 -10.892 0.836 132 1HB LEU 17 2HB LEU 17 0.826 -8.382 0.149 133 2HB LEU 17 1HB LEU 17 0.949 -8.982 -1.489 134 HG LEU 17 HG LEU 17 -1.360 -8.347 -0.762 135 1HD1 LEU 17 1HD1 LEU 17 -0.956 -11.224 -1.549 136 2HD1 LEU 17 2HD1 LEU 17 -1.052 -9.842 -2.639 137 3HD1 LEU 17 3HD1 LEU 17 -2.463 -10.323 -1.700 138 1HD2 LEU 17 1HD2 LEU 17 -2.583 -9.872 0.696 139 2HD2 LEU 17 2HD2 LEU 17 -1.231 -9.113 1.542 140 3HD2 LEU 17 3HD2 LEU 17 -1.101 -10.783 0.986 141 H TYR 18 H TYR 18 3.215 -10.610 -1.700 142 HA TYR 18 HA TYR 18 1.953 -12.216 -3.634 143 1HB TYR 18 2HB TYR 18 3.871 -10.700 -4.082 144 2HB TYR 18 1HB TYR 18 4.921 -11.826 -3.228 145 HD1 TYR 18 1HD TYR 18 5.965 -13.541 -4.398 146 HD2 TYR 18 2HD TYR 18 2.564 -11.649 -6.111 147 HE1 TYR 18 1HE TYR 18 6.321 -14.799 -6.479 148 HE2 TYR 18 2HE TYR 18 2.909 -12.904 -8.198 149 HH TYR 18 HH TYR 18 4.979 -15.549 -8.446 150 H GLU 19 H GLU 19 3.730 -13.043 -0.769 151 HA GLU 19 HA GLU 19 4.304 -15.739 -1.506 152 1HB GLU 19 2HB GLU 19 4.047 -14.571 1.270 153 2HB GLU 19 1HB GLU 19 4.836 -16.081 0.842 154 1HG GLU 19 2HG GLU 19 6.434 -14.740 -0.547 155 2HG GLU 19 1HG GLU 19 5.728 -13.290 0.165 156 H ASN 20 H ASN 20 1.509 -14.091 -0.536 157 HA ASN 20 HA ASN 20 0.155 -16.491 0.442 158 1HB ASN 20 2HB ASN 20 -0.637 -13.571 0.394 159 2HB ASN 20 1HB ASN 20 -1.687 -14.860 0.972 160 1HD2 ASN 20 1HD2 ASN 20 1.216 -13.033 1.587 161 2HD2 ASN 20 2HD2 ASN 20 1.395 -13.495 3.242 162 H SER 21 H SER 21 0.948 -15.865 -2.393 163 HA SER 21 HA SER 21 -1.294 -15.148 -3.913 164 1HB SER 21 2HB SER 21 0.039 -16.342 -5.765 165 2HB SER 21 1HB SER 21 0.756 -14.939 -4.977 166 HG SER 21 HG SER 21 2.284 -16.153 -4.209 167 H ASP 22 H ASP 22 -0.572 -18.049 -2.315 168 HA ASP 22 HA ASP 22 -1.839 -19.996 -3.827 169 1HB ASP 22 2HB ASP 22 -0.625 -20.520 -1.764 170 2HB ASP 22 1HB ASP 22 -1.862 -19.698 -0.815 171 H GLY 23 H GLY 23 -3.186 -17.465 -1.850 172 1HA GLY 23 2HA GLY 23 -5.884 -18.307 -2.712 173 2HA GLY 23 1HA GLY 23 -5.571 -17.582 -1.143 174 H ALA 24 H ALA 24 -3.764 -16.356 -3.784 175 HA ALA 24 HA ALA 24 -5.642 -14.313 -4.544 176 1HB ALA 24 1HB ALA 24 -4.332 -12.415 -3.751 177 2HB ALA 24 2HB ALA 24 -3.199 -13.511 -2.960 178 3HB ALA 24 3HB ALA 24 -4.870 -13.415 -2.405 179 H SER 25 H SER 25 -5.304 -14.694 -6.666 180 HA SER 25 HA SER 25 -2.801 -15.300 -7.811 181 1HB SER 25 2HB SER 25 -5.296 -14.203 -9.128 182 2HB SER 25 1HB SER 25 -3.941 -14.973 -9.961 183 HG SER 25 HG SER 25 -4.431 -16.812 -8.452 184 H LEU 26 H LEU 26 -1.449 -14.059 -9.125 185 HA LEU 26 HA LEU 26 -0.656 -11.612 -8.109 186 1HB LEU 26 2HB LEU 26 0.499 -13.302 -9.735 187 2HB LEU 26 1HB LEU 26 -0.200 -12.307 -10.994 188 HG LEU 26 HG LEU 26 1.654 -11.238 -8.862 189 1HD1 LEU 26 1HD1 LEU 26 2.279 -12.079 -11.689 190 2HD1 LEU 26 2HD1 LEU 26 2.795 -12.911 -10.221 191 3HD1 LEU 26 3HD1 LEU 26 3.390 -11.288 -10.572 192 1HD2 LEU 26 1HD2 LEU 26 1.910 -9.357 -10.418 193 2HD2 LEU 26 2HD2 LEU 26 0.241 -9.537 -9.876 194 3HD2 LEU 26 3HD2 LEU 26 0.710 -10.083 -11.486 195 H GLN 27 H GLN 27 -2.685 -12.250 -10.925 196 HA GLN 27 HA GLN 27 -3.088 -9.624 -11.809 197 1HB GLN 27 2HB GLN 27 -3.658 -11.810 -12.969 198 2HB GLN 27 1HB GLN 27 -5.073 -11.908 -11.941 199 1HG GLN 27 2HG GLN 27 -4.612 -9.537 -13.702 200 2HG GLN 27 1HG GLN 27 -5.315 -11.020 -14.338 201 1HE2 GLN 27 1HE2 GLN 27 -6.561 -8.481 -14.242 202 2HE2 GLN 27 2HE2 GLN 27 -7.959 -8.610 -13.225 203 H GLN 28 H GLN 28 -4.728 -11.521 -9.333 204 HA GLN 28 HA GLN 28 -6.751 -9.566 -8.812 205 1HB GLN 28 2HB GLN 28 -7.064 -11.981 -8.354 206 2HB GLN 28 1HB GLN 28 -5.823 -11.893 -7.115 207 1HG GLN 28 2HG GLN 28 -8.031 -11.870 -6.129 208 2HG GLN 28 1HG GLN 28 -7.196 -10.346 -5.830 209 1HE2 GLN 28 1HE2 GLN 28 -9.147 -9.273 -5.463 210 2HE2 GLN 28 2HE2 GLN 28 -10.214 -8.853 -6.760 211 H ILE 29 H ILE 29 -3.623 -10.433 -7.394 212 HA ILE 29 HA ILE 29 -3.655 -8.749 -5.159 213 HB ILE 29 HB ILE 29 -1.293 -9.510 -6.892 214 1HG1 ILE 29 2HG1 ILE 29 -2.319 -10.772 -4.341 215 2HG1 ILE 29 1HG1 ILE 29 -2.546 -11.436 -5.955 216 1HG2 ILE 29 1HG2 ILE 29 0.077 -9.036 -4.912 217 2HG2 ILE 29 2HG2 ILE 29 -1.359 -8.446 -4.070 218 3HG2 ILE 29 3HG2 ILE 29 -0.760 -7.597 -5.497 219 1HD1 ILE 29 1HD1 ILE 29 -0.748 -12.576 -4.839 220 2HD1 ILE 29 2HD1 ILE 29 0.070 -11.046 -4.524 221 3HD1 ILE 29 3HD1 ILE 29 -0.101 -11.630 -6.181 222 H ALA 30 H ALA 30 -2.471 -8.134 -8.457 223 HA ALA 30 HA ALA 30 -1.688 -5.471 -8.068 224 1HB ALA 30 1HB ALA 30 -2.710 -6.744 -10.606 225 2HB ALA 30 2HB ALA 30 -1.050 -6.823 -10.016 226 3HB ALA 30 3HB ALA 30 -1.745 -5.273 -10.490 227 H ASN 31 H ASN 31 -4.809 -6.854 -8.992 228 HA ASN 31 HA ASN 31 -6.108 -4.358 -9.411 229 1HB ASN 31 2HB ASN 31 -6.937 -7.198 -9.197 230 2HB ASN 31 1HB ASN 31 -8.173 -5.986 -8.909 231 1HD2 ASN 31 1HD2 ASN 31 -6.023 -7.392 -11.214 232 2HD2 ASN 31 2HD2 ASN 31 -6.747 -6.677 -12.613 233 H ASP 32 H ASP 32 -5.699 -6.428 -6.600 234 HA ASP 32 HA ASP 32 -7.634 -5.109 -4.975 235 1HB ASP 32 2HB ASP 32 -6.781 -7.434 -4.575 236 2HB ASP 32 1HB ASP 32 -5.250 -6.733 -4.062 237 H LEU 33 H LEU 33 -4.108 -4.915 -5.223 238 HA LEU 33 HA LEU 33 -3.905 -2.853 -3.246 239 1HB LEU 33 2HB LEU 33 -1.999 -4.183 -5.128 240 2HB LEU 33 1HB LEU 33 -1.515 -2.714 -4.312 241 HG LEU 33 HG LEU 33 -1.918 -3.832 -2.128 242 1HD1 LEU 33 1HD1 LEU 33 -3.553 -5.491 -2.819 243 2HD1 LEU 33 2HD1 LEU 33 -2.159 -6.267 -2.066 244 3HD1 LEU 33 3HD1 LEU 33 -2.342 -6.290 -3.821 245 1HD2 LEU 33 1HD2 LEU 33 -0.001 -5.250 -3.972 246 2HD2 LEU 33 2HD2 LEU 33 0.062 -5.258 -2.208 247 3HD2 LEU 33 3HD2 LEU 33 0.314 -3.754 -3.094 248 H GLY 34 H GLY 34 -4.216 -2.975 -6.709 249 1HA GLY 34 2HA GLY 34 -4.858 -1.216 -8.106 250 2HA GLY 34 1HA GLY 34 -4.570 -0.092 -6.781 251 H ILE 35 H ILE 35 -2.557 -2.479 -8.474 252 HA ILE 35 HA ILE 35 -0.727 -0.343 -9.283 253 HB ILE 35 HB ILE 35 1.200 -1.860 -8.676 254 1HG1 ILE 35 2HG1 ILE 35 -0.905 -3.176 -6.954 255 2HG1 ILE 35 1HG1 ILE 35 -0.123 -3.909 -8.351 256 1HG2 ILE 35 1HG2 ILE 35 -0.444 -0.728 -6.421 257 2HG2 ILE 35 2HG2 ILE 35 0.702 0.161 -7.425 258 3HG2 ILE 35 3HG2 ILE 35 1.276 -1.113 -6.348 259 1HD1 ILE 35 1HD1 ILE 35 2.029 -3.778 -7.207 260 2HD1 ILE 35 2HD1 ILE 35 0.850 -4.719 -6.294 261 3HD1 ILE 35 3HD1 ILE 35 1.232 -3.069 -5.803 262 H ASN 36 H ASN 36 1.064 -1.394 -10.708 263 HA ASN 36 HA ASN 36 -0.254 -2.887 -12.795 264 1HB ASN 36 2HB ASN 36 1.115 -1.002 -13.428 265 2HB ASN 36 1HB ASN 36 2.481 -1.631 -12.525 266 1HD2 ASN 36 1HD2 ASN 36 3.794 -1.554 -14.289 267 2HD2 ASN 36 2HD2 ASN 36 3.651 -2.655 -15.608 268 H ARG 37 H ARG 37 0.313 -4.930 -13.480 269 HA ARG 37 HA ARG 37 1.157 -6.802 -11.583 270 1HB ARG 37 2HB ARG 37 -0.207 -7.508 -13.408 271 2HB ARG 37 1HB ARG 37 0.947 -6.931 -14.590 272 1HG ARG 37 2HG ARG 37 2.526 -8.667 -13.888 273 2HG ARG 37 1HG ARG 37 1.342 -9.258 -12.721 274 1HD ARG 37 2HD ARG 37 -0.218 -9.717 -14.557 275 2HD ARG 37 1HD ARG 37 0.980 -9.140 -15.714 276 HE ARG 37 HE ARG 37 2.206 -11.143 -14.248 277 1HH1 ARG 37 1HH1 ARG 37 -0.532 -10.829 -16.404 278 2HH1 ARG 37 2HH1 ARG 37 -0.431 -12.470 -16.984 279 1HH2 ARG 37 1HH2 ARG 37 2.361 -13.277 -14.989 280 2HH2 ARG 37 2HH2 ARG 37 1.227 -13.873 -16.172 281 H VAL 38 H VAL 38 2.917 -5.099 -14.102 282 HA VAL 38 HA VAL 38 5.343 -6.560 -13.805 283 HB VAL 38 HB VAL 38 4.940 -3.786 -14.942 284 1HG1 VAL 38 1HG1 VAL 38 7.263 -4.191 -14.352 285 2HG1 VAL 38 2HG1 VAL 38 7.066 -4.191 -16.104 286 3HG1 VAL 38 3HG1 VAL 38 7.240 -5.717 -15.237 287 1HG2 VAL 38 1HG2 VAL 38 3.612 -5.423 -16.137 288 2HG2 VAL 38 2HG2 VAL 38 5.012 -6.483 -16.293 289 3HG2 VAL 38 3HG2 VAL 38 4.986 -4.928 -17.126 290 H THR 39 H THR 39 4.184 -3.444 -12.556 291 HA THR 39 HA THR 39 6.525 -2.649 -11.256 292 HB THR 39 HB THR 39 3.702 -2.017 -10.372 293 HG1 THR 39 1HG THR 39 5.327 -1.028 -12.490 294 1HG2 THR 39 1HG2 THR 39 4.669 0.067 -9.567 295 2HG2 THR 39 2HG2 THR 39 6.261 -0.416 -10.150 296 3HG2 THR 39 3HG2 THR 39 5.500 -1.300 -8.826 297 H LEU 40 H LEU 40 3.855 -4.684 -10.150 298 HA LEU 40 HA LEU 40 4.615 -4.960 -7.465 299 1HB LEU 40 2HB LEU 40 2.456 -5.711 -8.295 300 2HB LEU 40 1HB LEU 40 3.236 -6.899 -9.321 301 HG LEU 40 HG LEU 40 4.039 -8.082 -7.296 302 1HD1 LEU 40 1HD1 LEU 40 4.062 -6.205 -5.750 303 2HD1 LEU 40 2HD1 LEU 40 3.081 -7.531 -5.129 304 3HD1 LEU 40 3HD1 LEU 40 2.300 -6.112 -5.825 305 1HD2 LEU 40 1HD2 LEU 40 1.057 -7.658 -7.464 306 2HD2 LEU 40 2HD2 LEU 40 1.859 -9.001 -6.650 307 3HD2 LEU 40 3HD2 LEU 40 2.008 -8.817 -8.396 308 H LYS 41 H LYS 41 5.414 -6.940 -10.300 309 HA LYS 41 HA LYS 41 6.997 -8.840 -8.963 310 1HB LYS 41 2HB LYS 41 5.999 -8.912 -11.328 311 2HB LYS 41 1HB LYS 41 7.407 -7.986 -11.824 312 1HG LYS 41 2HG LYS 41 8.879 -9.756 -11.106 313 2HG LYS 41 1HG LYS 41 7.507 -10.681 -10.486 314 1HD LYS 41 2HD LYS 41 6.570 -10.700 -12.796 315 2HD LYS 41 1HD LYS 41 8.062 -9.944 -13.358 316 1HE LYS 41 2HE LYS 41 7.860 -12.610 -11.964 317 2HE LYS 41 1HE LYS 41 8.059 -12.379 -13.699 318 1HZ LYS 41 1HZ LYS 41 10.183 -12.821 -12.819 319 2HZ LYS 41 2HZ LYS 41 9.985 -11.728 -11.545 320 3HZ LYS 41 3HZ LYS 41 10.162 -11.154 -13.134 321 H ASN 42 H ASN 42 7.789 -5.802 -10.560 322 HA ASN 42 HA ASN 42 10.559 -5.853 -10.435 323 1HB ASN 42 2HB ASN 42 8.566 -3.613 -10.312 324 2HB ASN 42 1HB ASN 42 10.285 -3.277 -10.146 325 1HD2 ASN 42 1HD2 ASN 42 10.241 -2.061 -12.043 326 2HD2 ASN 42 2HD2 ASN 42 10.181 -2.811 -13.607 327 H TRP 43 H TRP 43 8.283 -4.691 -7.956 328 HA TRP 43 HA TRP 43 10.256 -3.935 -6.093 329 1HB TRP 43 2HB TRP 43 7.365 -4.717 -5.718 330 2HB TRP 43 1HB TRP 43 8.388 -4.167 -4.394 331 HD1 TRP 43 HD TRP 43 9.811 -1.917 -6.458 332 HE1 TRP 43 1HE TRP 43 8.518 0.283 -6.798 333 HE3 TRP 43 3HE TRP 43 5.189 -3.471 -4.937 334 HZ2 TRP 43 2HZ TRP 43 5.867 1.226 -6.464 335 HZ3 TRP 43 3HZ TRP 43 3.329 -1.862 -4.975 336 HH2 TRP 43 HH TRP 43 3.662 0.437 -5.719 337 H ILE 44 H ILE 44 8.546 -6.972 -6.612 338 HA ILE 44 HA ILE 44 9.463 -8.352 -4.352 339 HB ILE 44 HB ILE 44 8.797 -9.473 -7.077 340 1HG1 ILE 44 2HG1 ILE 44 7.015 -9.215 -4.645 341 2HG1 ILE 44 1HG1 ILE 44 7.008 -8.072 -5.982 342 1HG2 ILE 44 1HG2 ILE 44 10.026 -11.063 -5.693 343 2HG2 ILE 44 2HG2 ILE 44 8.346 -11.561 -5.881 344 3HG2 ILE 44 3HG2 ILE 44 8.881 -10.818 -4.375 345 1HD1 ILE 44 1HD1 ILE 44 6.326 -9.826 -7.506 346 2HD1 ILE 44 2HD1 ILE 44 5.200 -9.686 -6.153 347 3HD1 ILE 44 3HD1 ILE 44 6.376 -11.000 -6.191 348 H ILE 45 H ILE 45 10.837 -8.036 -7.603 349 HA ILE 45 HA ILE 45 12.968 -9.847 -7.252 350 HB ILE 45 HB ILE 45 12.813 -7.458 -9.100 351 1HG1 ILE 45 2HG1 ILE 45 12.238 -10.386 -9.610 352 2HG1 ILE 45 1HG1 ILE 45 11.014 -9.133 -9.403 353 1HG2 ILE 45 1HG2 ILE 45 15.114 -8.174 -8.799 354 2HG2 ILE 45 2HG2 ILE 45 14.543 -8.605 -10.413 355 3HG2 ILE 45 3HG2 ILE 45 14.658 -9.841 -9.159 356 1HD1 ILE 45 1HD1 ILE 45 13.069 -9.240 -11.603 357 2HD1 ILE 45 2HD1 ILE 45 11.811 -8.017 -11.409 358 3HD1 ILE 45 3HD1 ILE 45 11.369 -9.689 -11.748 359 H LYS 46 H LYS 46 12.764 -6.344 -6.746 360 HA LYS 46 HA LYS 46 15.591 -6.182 -6.165 361 1HB LYS 46 2HB LYS 46 14.320 -4.384 -7.373 362 2HB LYS 46 1HB LYS 46 13.513 -4.017 -5.853 363 1HG LYS 46 2HG LYS 46 15.717 -3.555 -4.838 364 2HG LYS 46 1HG LYS 46 16.462 -3.821 -6.414 365 1HD LYS 46 2HD LYS 46 15.072 -1.978 -7.327 366 2HD LYS 46 1HD LYS 46 14.464 -1.679 -5.696 367 1HE LYS 46 2HE LYS 46 16.238 -0.132 -6.120 368 2HE LYS 46 1HE LYS 46 16.820 -1.325 -4.960 369 1HZ LYS 46 1HZ LYS 46 18.543 -1.112 -6.484 370 2HZ LYS 46 2HZ LYS 46 17.504 -1.047 -7.818 371 3HZ LYS 46 3HZ LYS 46 17.747 -2.514 -7.011 372 H TYR 47 H TYR 47 12.588 -5.578 -4.310 373 HA TYR 47 HA TYR 47 14.137 -5.049 -1.936 374 1HB TYR 47 2HB TYR 47 11.144 -5.183 -2.338 375 2HB TYR 47 1HB TYR 47 11.949 -4.635 -0.869 376 HD1 TYR 47 1HD TYR 47 10.883 -3.733 -4.197 377 HD2 TYR 47 2HD TYR 47 13.366 -2.562 -0.947 378 HE1 TYR 47 1HE TYR 47 11.041 -1.472 -5.140 379 HE2 TYR 47 2HE TYR 47 13.526 -0.292 -1.881 380 HH TYR 47 HH TYR 47 13.320 0.778 -4.157 381 H GLY 48 H GLY 48 12.396 -7.741 -3.283 382 1HA GLY 48 2HA GLY 48 12.367 -9.338 -0.933 383 2HA GLY 48 1HA GLY 48 12.282 -9.930 -2.587 384 H SER 49 H SER 49 14.790 -8.482 -3.234 385 HA SER 49 HA SER 49 16.664 -10.513 -2.410 386 1HB SER 49 2HB SER 49 16.562 -9.511 -4.734 387 2HB SER 49 1HB SER 49 17.217 -8.027 -4.044 388 HG SER 49 HG SER 49 18.905 -9.638 -3.194 389 H ASN 50 H ASN 50 15.728 -7.351 -1.477 390 HA ASN 50 HA ASN 50 16.228 -6.118 0.366 391 1HB ASN 50 2HB ASN 50 16.660 -8.086 1.675 392 2HB ASN 50 1HB ASN 50 18.227 -8.319 0.912 393 1HD2 ASN 50 1HD2 ASN 50 19.409 -8.272 2.735 394 2HD2 ASN 50 2HD2 ASN 50 19.598 -6.866 3.733 395 H HIS 51 H HIS 51 19.465 -7.350 -0.427 396 HA HIS 51 HA HIS 51 20.164 -4.827 -1.692 397 1HB HIS 51 2HB HIS 51 21.369 -5.776 0.901 398 2HB HIS 51 1HB HIS 51 22.309 -4.795 -0.219 399 HD1 HIS 51 1HD HIS 51 19.443 -4.605 2.185 400 HD2 HIS 51 2HD HIS 51 21.491 -2.112 -0.439 401 HE1 HIS 51 1HE HIS 51 18.728 -2.271 2.771 402 HE2 HIS 51 2HE HIS 51 19.830 -0.798 1.049 403 H ASN 52 H ASN 52 22.450 -4.981 -2.600 404 HA ASN 52 HA ASN 52 23.655 -5.982 -4.251 405 1HB ASN 52 2HB ASN 52 24.706 -6.921 -2.197 406 2HB ASN 52 1HB ASN 52 23.629 -8.304 -2.312 407 1HD2 ASN 52 1HD2 ASN 52 26.242 -6.584 -3.894 408 2HD2 ASN 52 2HD2 ASN 52 26.859 -7.943 -4.780 409 H VAL 53 H VAL 53 21.254 -5.882 -5.053 410 HA VAL 53 HA VAL 53 19.677 -8.186 -5.262 411 HB VAL 53 HB VAL 53 19.717 -5.857 -7.191 412 1HG1 VAL 53 1HG1 VAL 53 17.504 -7.754 -6.405 413 2HG1 VAL 53 2HG1 VAL 53 18.372 -7.751 -7.939 414 3HG1 VAL 53 3HG1 VAL 53 17.346 -6.385 -7.503 415 1HG2 VAL 53 1HG2 VAL 53 18.065 -4.801 -5.731 416 2HG2 VAL 53 2HG2 VAL 53 19.592 -5.054 -4.883 417 3HG2 VAL 53 3HG2 VAL 53 18.225 -6.126 -4.579 418 H GLN 54 H GLN 54 21.406 -6.595 -7.934 419 HA GLN 54 HA GLN 54 21.932 -9.262 -9.061 420 1HB GLN 54 2HB GLN 54 21.347 -6.628 -10.296 421 2HB GLN 54 1HB GLN 54 22.537 -7.631 -11.111 422 1HG GLN 54 2HG GLN 54 20.431 -8.053 -12.111 423 2HG GLN 54 1HG GLN 54 20.858 -9.468 -11.152 424 1HE2 GLN 54 1HE2 GLN 54 19.627 -10.000 -9.371 425 2HE2 GLN 54 2HE2 GLN 54 18.115 -9.241 -9.018 426 H GLY 55 H GLY 55 23.556 -8.828 -7.098 427 1HA GLY 55 2HA GLY 55 25.859 -7.264 -7.661 428 2HA GLY 55 1HA GLY 55 25.748 -8.545 -6.460 429 H THR 56 H THR 56 24.924 -10.522 -8.364 430 HA THR 56 HA THR 56 25.839 -12.246 -9.476 431 HB THR 56 HB THR 56 27.010 -11.665 -11.607 432 HG1 THR 56 1HG THR 56 27.268 -9.288 -10.375 433 1HG2 THR 56 1HG2 THR 56 25.035 -10.661 -12.652 434 2HG2 THR 56 2HG2 THR 56 24.416 -10.233 -11.058 435 3HG2 THR 56 3HG2 THR 56 24.588 -11.929 -11.512 436 H THR 57 H THR 57 27.146 -13.218 -8.025 437 HA THR 57 HA THR 57 30.018 -12.622 -8.283 438 HB THR 57 HB THR 57 30.150 -13.762 -5.963 439 HG1 THR 57 1HG THR 57 27.619 -14.078 -6.295 440 1HG2 THR 57 1HG2 THR 57 28.900 -11.029 -6.229 441 2HG2 THR 57 2HG2 THR 57 30.622 -11.394 -6.336 442 3HG2 THR 57 3HG2 THR 57 29.761 -11.637 -4.815 443 HA PRO 58 HA PRO 58 29.301 -16.821 -9.940 444 1HB PRO 58 2HB PRO 58 31.508 -16.305 -11.738 445 2HB PRO 58 1HB PRO 58 29.799 -16.511 -12.123 446 1HG PRO 58 2HG PRO 58 31.144 -14.142 -12.378 447 2HG PRO 58 1HG PRO 58 29.397 -14.260 -12.105 448 1HD PRO 58 2HD PRO 58 31.591 -13.673 -10.154 449 2HD PRO 58 1HD PRO 58 29.967 -12.960 -10.274 450 H SER 59 H SER 59 30.085 -18.241 -8.485 451 HA SER 59 HA SER 59 32.876 -18.194 -7.736 452 1HB SER 59 2HB SER 59 32.044 -20.332 -6.443 453 2HB SER 59 1HB SER 59 31.568 -18.723 -5.897 454 HG SER 59 HG SER 59 30.018 -20.760 -6.828 455 H ALA 60 H ALA 60 30.660 -20.483 -9.317 456 HA ALA 60 HA ALA 60 32.914 -22.139 -10.115 457 1HB ALA 60 1HB ALA 60 31.248 -23.724 -10.886 458 2HB ALA 60 2HB ALA 60 29.966 -22.552 -10.582 459 3HB ALA 60 3HB ALA 60 30.892 -23.217 -9.235 460 H ALA 61 H ALA 61 30.722 -19.831 -11.477 461 HA ALA 61 HA ALA 61 30.891 -20.789 -14.155 462 1HB ALA 61 1HB ALA 61 29.593 -18.853 -14.768 463 2HB ALA 61 2HB ALA 61 29.902 -18.114 -13.197 464 3HB ALA 61 3HB ALA 61 28.928 -19.581 -13.309 465 H VAL 62 H VAL 62 33.100 -19.106 -12.365 466 HA VAL 62 HA VAL 62 34.184 -17.560 -14.557 467 HB VAL 62 HB VAL 62 35.344 -18.103 -11.820 468 1HG1 VAL 62 1HG1 VAL 62 36.922 -16.291 -12.341 469 2HG1 VAL 62 2HG1 VAL 62 36.270 -16.203 -13.978 470 3HG1 VAL 62 3HG1 VAL 62 37.110 -17.659 -13.441 471 1HG2 VAL 62 1HG2 VAL 62 34.730 -15.768 -11.364 472 2HG2 VAL 62 2HG2 VAL 62 33.317 -16.754 -11.739 473 3HG2 VAL 62 3HG2 VAL 62 33.978 -15.662 -12.956 474 H SER 63 H SER 63 35.251 -20.288 -12.594 475 HA SER 63 HA SER 63 37.511 -20.819 -14.267 476 1HB SER 63 2HB SER 63 36.357 -22.562 -12.084 477 2HB SER 63 1HB SER 63 38.005 -22.579 -12.709 478 HG SER 63 HG SER 63 38.170 -21.352 -10.935 479 H GLU 64 H GLU 64 34.305 -22.216 -13.847 480 HA GLU 64 HA GLU 64 34.841 -24.609 -15.294 481 1HB GLU 64 2HB GLU 64 32.912 -23.973 -13.612 482 2HB GLU 64 1HB GLU 64 32.084 -23.475 -15.082 483 1HG GLU 64 2HG GLU 64 31.396 -25.680 -14.663 484 2HG GLU 64 1HG GLU 64 32.558 -25.781 -15.986 485 H ALA 65 H ALA 65 33.713 -21.446 -16.158 486 HA ALA 65 HA ALA 65 32.556 -21.994 -18.647 487 1HB ALA 65 1HB ALA 65 32.227 -19.886 -17.467 488 2HB ALA 65 2HB ALA 65 32.798 -19.618 -19.114 489 3HB ALA 65 3HB ALA 65 33.912 -19.456 -17.755 490 H GLU 66 H GLU 66 35.865 -21.804 -17.699 491 HA GLU 66 HA GLU 66 37.115 -21.075 -20.085 492 1HB GLU 66 2HB GLU 66 38.241 -21.294 -17.890 493 2HB GLU 66 1HB GLU 66 38.070 -23.036 -17.992 494 1HG GLU 66 2HG GLU 66 40.321 -22.363 -18.562 495 2HG GLU 66 1HG GLU 66 39.511 -23.070 -19.960 496 H GLN 67 H GLN 67 36.394 -24.332 -18.850 497 HA GLN 67 HA GLN 67 37.183 -25.547 -21.336 498 1HB GLN 67 2HB GLN 67 36.495 -27.663 -20.234 499 2HB GLN 67 1HB GLN 67 37.670 -26.738 -19.311 500 1HG GLN 67 2HG GLN 67 35.735 -25.836 -17.976 501 2HG GLN 67 1HG GLN 67 34.731 -27.042 -18.783 502 1HE2 GLN 67 1HE2 GLN 67 37.301 -26.510 -16.508 503 2HE2 GLN 67 2HE2 GLN 67 37.298 -28.095 -15.827 504 H ILE 68 H ILE 68 34.171 -24.654 -19.771 505 HA ILE 68 HA ILE 68 32.439 -26.197 -21.375 506 HB ILE 68 HB ILE 68 31.928 -23.615 -19.897 507 1HG1 ILE 68 2HG1 ILE 68 31.250 -26.491 -19.250 508 2HG1 ILE 68 1HG1 ILE 68 32.510 -25.529 -18.480 509 1HG2 ILE 68 1HG2 ILE 68 30.311 -23.805 -21.691 510 2HG2 ILE 68 2HG2 ILE 68 29.534 -24.125 -20.140 511 3HG2 ILE 68 3HG2 ILE 68 29.941 -25.464 -21.213 512 1HD1 ILE 68 1HD1 ILE 68 29.547 -25.012 -18.353 513 2HD1 ILE 68 2HD1 ILE 68 30.795 -24.012 -17.610 514 3HD1 ILE 68 3HD1 ILE 68 30.557 -25.673 -17.066 515 H ARG 69 H ARG 69 33.599 -22.851 -21.740 516 HA ARG 69 HA ARG 69 32.026 -22.253 -23.994 517 1HB ARG 69 2HB ARG 69 34.448 -21.053 -22.750 518 2HB ARG 69 1HB ARG 69 34.020 -20.551 -24.381 519 1HG ARG 69 2HG ARG 69 31.924 -20.544 -22.265 520 2HG ARG 69 1HG ARG 69 33.124 -19.251 -22.299 521 1HD ARG 69 2HD ARG 69 30.927 -18.869 -23.555 522 2HD ARG 69 1HD ARG 69 32.428 -18.497 -24.397 523 HE ARG 69 HE ARG 69 32.151 -20.582 -25.625 524 1HH1 ARG 69 1HH1 ARG 69 29.343 -19.420 -23.871 525 2HH1 ARG 69 2HH1 ARG 69 28.203 -20.211 -24.923 526 1HH2 ARG 69 1HH2 ARG 69 30.676 -21.615 -27.007 527 2HH2 ARG 69 2HH2 ARG 69 28.963 -21.491 -26.708 528 H GLN 70 H GLN 70 35.196 -23.745 -23.712 529 HA GLN 70 HA GLN 70 35.743 -23.716 -26.480 530 1HB GLN 70 2HB GLN 70 36.852 -25.084 -24.061 531 2HB GLN 70 1HB GLN 70 37.425 -25.456 -25.656 532 1HG GLN 70 2HG GLN 70 37.516 -22.800 -24.288 533 2HG GLN 70 1HG GLN 70 38.886 -23.842 -24.667 534 1HE2 GLN 70 1HE2 GLN 70 39.658 -23.924 -26.766 535 2HE2 GLN 70 2HE2 GLN 70 39.202 -22.767 -27.968 536 H LEU 71 H LEU 71 34.266 -25.931 -24.225 537 HA LEU 71 HA LEU 71 34.195 -28.209 -25.889 538 1HB LEU 71 2HB LEU 71 33.882 -28.051 -23.364 539 2HB LEU 71 1HB LEU 71 32.242 -27.538 -23.694 540 HG LEU 71 HG LEU 71 33.280 -30.165 -24.734 541 1HD1 LEU 71 1HD1 LEU 71 33.681 -30.145 -22.332 542 2HD1 LEU 71 2HD1 LEU 71 32.340 -31.218 -22.735 543 3HD1 LEU 71 3HD1 LEU 71 32.019 -29.625 -22.048 544 1HD2 LEU 71 1HD2 LEU 71 30.896 -30.760 -24.620 545 2HD2 LEU 71 2HD2 LEU 71 31.185 -29.377 -25.676 546 3HD2 LEU 71 3HD2 LEU 71 30.527 -29.129 -24.058 547 H LYS 72 H LYS 72 31.804 -25.644 -25.248 548 HA LYS 72 HA LYS 72 29.977 -26.767 -27.217 549 1HB LYS 72 2HB LYS 72 29.799 -24.242 -25.560 550 2HB LYS 72 1HB LYS 72 28.518 -24.865 -26.591 551 1HG LYS 72 2HG LYS 72 29.677 -26.234 -24.173 552 2HG LYS 72 1HG LYS 72 28.117 -25.415 -24.260 553 1HD LYS 72 2HD LYS 72 27.346 -27.031 -25.915 554 2HD LYS 72 1HD LYS 72 28.918 -27.830 -25.887 555 1HE LYS 72 2HE LYS 72 28.583 -28.365 -23.513 556 2HE LYS 72 1HE LYS 72 27.000 -27.594 -23.571 557 1HZ LYS 72 1HZ LYS 72 26.304 -29.218 -25.217 558 2HZ LYS 72 2HZ LYS 72 26.829 -29.995 -23.798 559 3HZ LYS 72 3HZ LYS 72 27.828 -29.963 -25.166 560 H LYS 73 H LYS 73 32.667 -24.932 -27.307 561 HA LYS 73 HA LYS 73 33.695 -23.555 -28.753 562 1HB LYS 73 2HB LYS 73 32.979 -25.437 -30.306 563 2HB LYS 73 1HB LYS 73 31.663 -24.387 -30.816 564 1HG LYS 73 2HG LYS 73 33.348 -22.687 -31.479 565 2HG LYS 73 1HG LYS 73 34.613 -23.855 -31.091 566 1HD LYS 73 2HD LYS 73 33.565 -25.416 -32.731 567 2HD LYS 73 1HD LYS 73 32.473 -24.111 -33.195 568 1HE LYS 73 2HE LYS 73 35.476 -24.140 -33.439 569 2HE LYS 73 1HE LYS 73 34.308 -24.201 -34.754 570 1HZ LYS 73 1HZ LYS 73 34.901 -21.918 -32.956 571 2HZ LYS 73 2HZ LYS 73 33.538 -21.965 -33.951 572 3HZ LYS 73 3HZ LYS 73 35.082 -21.996 -34.642 573 H GLU 74 H GLU 74 30.695 -23.047 -30.513 574 HA GLU 74 HA GLU 74 30.038 -20.566 -29.291 575 1HB GLU 74 2HB GLU 74 30.834 -19.053 -31.012 576 2HB GLU 74 1HB GLU 74 32.194 -19.941 -30.335 577 1HG GLU 74 2HG GLU 74 32.209 -21.431 -32.242 578 2HG GLU 74 1HG GLU 74 30.799 -20.616 -32.915 579 H ASN 75 H ASN 75 28.596 -19.251 -30.741 580 HA ASN 75 HA ASN 75 27.312 -20.809 -32.887 581 1HB ASN 75 2HB ASN 75 26.059 -20.669 -30.635 582 2HB ASN 75 1HB ASN 75 25.770 -18.993 -31.054 583 1HD2 ASN 75 1HD2 ASN 75 25.872 -21.660 -33.348 584 2HD2 ASN 75 2HD2 ASN 75 24.203 -21.581 -33.794 585 H ALA 76 H ALA 76 28.999 -18.209 -32.032 586 HA ALA 76 HA ALA 76 27.706 -15.953 -32.966 587 1HB ALA 76 1HB ALA 76 30.668 -16.462 -32.919 588 2HB ALA 76 2HB ALA 76 29.695 -15.885 -31.563 589 3HB ALA 76 3HB ALA 76 29.883 -14.885 -33.004 590 H LEU 77 H LEU 77 29.976 -18.036 -34.699 591 HA LEU 77 HA LEU 77 30.177 -16.594 -37.037 592 1HB LEU 77 2HB LEU 77 30.821 -18.741 -38.093 593 2HB LEU 77 1HB LEU 77 31.685 -18.369 -36.623 594 HG LEU 77 HG LEU 77 29.890 -19.930 -35.516 595 1HD1 LEU 77 1HD1 LEU 77 29.888 -20.918 -38.361 596 2HD1 LEU 77 2HD1 LEU 77 28.517 -20.203 -37.511 597 3HD1 LEU 77 3HD1 LEU 77 29.183 -21.745 -36.971 598 1HD2 LEU 77 1HD2 LEU 77 31.378 -21.840 -35.886 599 2HD2 LEU 77 2HD2 LEU 77 32.275 -20.362 -35.542 600 3HD2 LEU 77 3HD2 LEU 77 32.169 -20.963 -37.196 601 H GLN 78 H GLN 78 27.533 -18.560 -35.963 602 HA GLN 78 HA GLN 78 26.277 -18.803 -38.528 603 1HB GLN 78 2HB GLN 78 25.324 -19.248 -35.704 604 2HB GLN 78 1HB GLN 78 24.250 -19.406 -37.084 605 1HG GLN 78 2HG GLN 78 26.800 -20.965 -36.772 606 2HG GLN 78 1HG GLN 78 25.222 -21.539 -36.234 607 1HE2 GLN 78 1HE2 GLN 78 27.241 -20.856 -38.965 608 2HE2 GLN 78 2HE2 GLN 78 26.238 -21.615 -40.150 609 H ARG 79 H ARG 79 25.769 -16.741 -35.678 610 HA ARG 79 HA ARG 79 23.544 -15.391 -36.869 611 1HB ARG 79 2HB ARG 79 25.033 -15.164 -34.307 612 2HB ARG 79 1HB ARG 79 24.092 -13.775 -34.829 613 1HG ARG 79 2HG ARG 79 22.809 -15.178 -33.328 614 2HG ARG 79 1HG ARG 79 22.088 -15.163 -34.937 615 1HD ARG 79 2HD ARG 79 23.229 -17.319 -35.404 616 2HD ARG 79 1HD ARG 79 23.798 -17.338 -33.737 617 HE ARG 79 HE ARG 79 21.115 -17.055 -33.468 618 1HH1 ARG 79 1HH1 ARG 79 23.130 -19.308 -35.223 619 2HH1 ARG 79 2HH1 ARG 79 22.027 -20.636 -35.065 620 1HH2 ARG 79 1HH2 ARG 79 19.634 -18.790 -33.284 621 2HH2 ARG 79 2HH2 ARG 79 20.012 -20.328 -33.996 622 H ALA 80 H ALA 80 26.891 -15.030 -37.124 623 HA ALA 80 HA ALA 80 27.150 -12.262 -37.487 624 1HB ALA 80 1HB ALA 80 29.063 -13.763 -37.200 625 2HB ALA 80 2HB ALA 80 29.233 -12.777 -38.652 626 3HB ALA 80 3HB ALA 80 28.748 -14.467 -38.786 627 H ARG 81 H ARG 81 25.825 -14.711 -39.517 628 HA ARG 81 HA ARG 81 25.921 -13.089 -41.909 629 1HB ARG 81 2HB ARG 81 24.818 -15.809 -41.278 630 2HB ARG 81 1HB ARG 81 24.473 -15.012 -42.807 631 1HG ARG 81 2HG ARG 81 27.302 -15.271 -41.910 632 2HG ARG 81 1HG ARG 81 26.475 -16.677 -42.581 633 1HD ARG 81 2HD ARG 81 27.722 -15.449 -44.297 634 2HD ARG 81 1HD ARG 81 25.992 -15.451 -44.622 635 HE ARG 81 HE ARG 81 26.704 -13.107 -43.209 636 1HH1 ARG 81 1HH1 ARG 81 26.986 -14.600 -46.360 637 2HH1 ARG 81 2HH1 ARG 81 27.101 -13.087 -47.216 638 1HH2 ARG 81 1HH2 ARG 81 26.792 -11.093 -44.341 639 2HH2 ARG 81 2HH2 ARG 81 26.965 -11.100 -46.068 640 H THR 82 H THR 82 23.772 -13.691 -39.315 641 HA THR 82 HA THR 82 21.423 -12.735 -40.706 642 HB THR 82 HB THR 82 21.697 -13.239 -37.739 643 HG1 THR 82 1HG THR 82 21.190 -15.041 -39.895 644 1HG2 THR 82 1HG2 THR 82 19.319 -13.375 -39.604 645 2HG2 THR 82 2HG2 THR 82 19.657 -12.066 -38.469 646 3HG2 THR 82 3HG2 THR 82 19.295 -13.686 -37.870 647 H ARG 83 H ARG 83 23.994 -11.453 -38.884 648 HA ARG 83 HA ARG 83 22.743 -9.210 -37.723 649 1HB ARG 83 2HB ARG 83 25.598 -9.793 -38.442 650 2HB ARG 83 1HB ARG 83 25.116 -8.285 -37.686 651 1HG ARG 83 2HG ARG 83 24.478 -9.329 -35.711 652 2HG ARG 83 1HG ARG 83 24.369 -10.913 -36.476 653 1HD ARG 83 2HD ARG 83 26.328 -10.703 -35.004 654 2HD ARG 83 1HD ARG 83 26.767 -11.030 -36.677 655 HE ARG 83 HE ARG 83 27.407 -8.692 -36.884 656 1HH1 ARG 83 1HH1 ARG 83 26.830 -9.834 -33.618 657 2HH1 ARG 83 2HH1 ARG 83 27.958 -8.719 -32.898 658 1HH2 ARG 83 1HH2 ARG 83 28.857 -7.218 -35.939 659 2HH2 ARG 83 2HH2 ARG 83 29.116 -7.233 -34.219 660 H HIS 84 H HIS 84 21.900 -7.580 -38.615 661 HA HIS 84 HA HIS 84 22.947 -6.335 -41.028 662 1HB HIS 84 2HB HIS 84 20.163 -7.521 -40.813 663 2HB HIS 84 1HB HIS 84 20.579 -6.291 -41.997 664 HD1 HIS 84 1HD HIS 84 20.108 -9.748 -41.859 665 HD2 HIS 84 2HD HIS 84 23.077 -7.343 -43.505 666 HE1 HIS 84 1HE HIS 84 21.233 -11.158 -43.605 667 HE2 HIS 84 2HE HIS 84 22.852 -9.603 -44.752 668 HA PRO 85 HA PRO 85 21.415 -2.468 -39.283 669 1HB PRO 85 2HB PRO 85 19.228 -2.349 -41.313 670 2HB PRO 85 1HB PRO 85 20.390 -1.106 -40.835 671 1HG PRO 85 2HG PRO 85 20.690 -2.444 -43.110 672 2HG PRO 85 1HG PRO 85 22.091 -2.020 -42.109 673 1HD PRO 85 2HD PRO 85 20.757 -4.659 -42.478 674 2HD PRO 85 1HD PRO 85 22.461 -4.277 -42.181 675 H ALA 86 H ALA 86 19.374 -1.371 -38.470 676 HA ALA 86 HA ALA 86 17.856 -3.433 -37.052 677 1HB ALA 86 1HB ALA 86 19.239 -1.968 -35.674 678 2HB ALA 86 2HB ALA 86 17.526 -1.774 -35.307 679 3HB ALA 86 3HB ALA 86 18.363 -0.561 -36.279 680 H GLU 87 H GLU 87 15.694 -2.434 -36.152 681 HA GLU 87 HA GLU 87 14.066 -1.951 -38.485 682 1HB GLU 87 2HB GLU 87 12.182 -2.265 -37.039 683 2HB GLU 87 1HB GLU 87 13.384 -3.474 -36.626 684 1HG GLU 87 2HG GLU 87 13.017 -0.911 -35.098 685 2HG GLU 87 1HG GLU 87 12.195 -2.414 -34.697 686 H SER 88 H SER 88 15.469 -0.097 -35.966 687 HA SER 88 HA SER 88 13.659 1.972 -35.619 688 1HB SER 88 2HB SER 88 15.692 3.290 -34.877 689 2HB SER 88 1HB SER 88 15.456 1.737 -34.075 690 HG SER 88 HG SER 88 17.544 2.594 -35.538 691 H CYS 89 H CYS 89 16.057 1.551 -38.162 692 HA CYS 89 HA CYS 89 15.753 4.262 -39.096 693 1HB CYS 89 2HB CYS 89 17.228 3.418 -40.997 694 2HB CYS 89 1HB CYS 89 17.925 3.372 -39.381 695 HG CYS 89 HG CYS 89 17.233 0.858 -41.473 696 H LEU 90 H LEU 90 14.254 1.238 -39.665 697 HA LEU 90 HA LEU 90 13.301 1.910 -42.320 698 1HB LEU 90 2HB LEU 90 12.423 -0.390 -40.581 699 2HB LEU 90 1HB LEU 90 12.282 -0.252 -42.324 700 HG LEU 90 HG LEU 90 14.868 -0.518 -40.798 701 1HD1 LEU 90 1HD1 LEU 90 13.564 -2.571 -40.735 702 2HD1 LEU 90 2HD1 LEU 90 14.966 -2.756 -41.790 703 3HD1 LEU 90 3HD1 LEU 90 13.364 -2.513 -42.486 704 1HD2 LEU 90 1HD2 LEU 90 15.152 0.762 -42.850 705 2HD2 LEU 90 2HD2 LEU 90 14.319 -0.495 -43.764 706 3HD2 LEU 90 3HD2 LEU 90 15.877 -0.839 -43.015 707 H GLU 91 H GLU 91 11.997 1.538 -39.064 708 HA GLU 91 HA GLU 91 9.281 1.878 -39.684 709 1HB GLU 91 2HB GLU 91 10.725 2.603 -37.134 710 2HB GLU 91 1HB GLU 91 8.985 2.451 -37.306 711 1HG GLU 91 2HG GLU 91 9.320 0.068 -37.918 712 2HG GLU 91 1HG GLU 91 11.033 0.268 -37.542 713 H HIS 92 H HIS 92 11.766 4.255 -38.882 714 HA HIS 92 HA HIS 92 9.797 6.349 -38.605 715 1HB HIS 92 2HB HIS 92 12.805 6.381 -38.370 716 2HB HIS 92 1HB HIS 92 11.786 7.797 -38.131 717 HD1 HIS 92 1HD HIS 92 13.225 4.991 -36.357 718 HD2 HIS 92 2HD HIS 92 9.861 7.391 -35.918 719 HE1 HIS 92 1HE HIS 92 12.467 4.662 -33.981 720 HE2 HIS 92 2HE HIS 92 10.290 5.920 -33.833 721 H HIS 93 H HIS 93 9.319 7.909 -39.946 722 HA HIS 93 HA HIS 93 9.225 9.264 -41.737 723 1HB HIS 93 2HB HIS 93 11.769 9.411 -41.445 724 2HB HIS 93 1HB HIS 93 11.869 8.237 -42.756 725 HD1 HIS 93 1HD HIS 93 12.094 9.281 -45.013 726 HD2 HIS 93 2HD HIS 93 10.091 11.759 -42.328 727 HE1 HIS 93 1HE HIS 93 11.606 11.404 -46.271 728 HE2 HIS 93 2HE HIS 93 10.209 12.791 -44.697 729 H HIS 94 H HIS 94 8.962 6.095 -41.698 730 HA HIS 94 HA HIS 94 8.619 5.606 -44.528 731 1HB HIS 94 2HB HIS 94 9.280 3.818 -42.872 732 2HB HIS 94 1HB HIS 94 7.664 3.928 -42.189 733 HD1 HIS 94 1HD HIS 94 9.583 2.477 -45.026 734 HD2 HIS 94 2HD HIS 94 5.609 2.860 -43.846 735 HE1 HIS 94 1HE HIS 94 8.287 0.868 -46.457 736 HE2 HIS 94 2HE HIS 94 5.880 1.129 -45.751 737 H HIS 95 H HIS 95 7.299 7.674 -44.489 738 HA HIS 95 HA HIS 95 4.565 7.253 -43.523 739 1HB HIS 95 2HB HIS 95 5.751 9.285 -42.751 740 2HB HIS 95 1HB HIS 95 5.908 9.814 -44.421 741 HD1 HIS 95 1HD HIS 95 3.254 9.162 -41.799 742 HD2 HIS 95 2HD HIS 95 3.737 11.179 -45.409 743 HE1 HIS 95 1HE HIS 95 1.164 10.535 -42.102 744 HE2 HIS 95 2HE HIS 95 1.466 11.736 -44.301 745 H HIS 96 H HIS 96 3.348 6.318 -44.995 746 HA HIS 96 HA HIS 96 3.634 7.052 -47.808 747 1HB HIS 96 2HB HIS 96 3.359 4.632 -47.051 748 2HB HIS 96 1HB HIS 96 1.700 5.045 -46.635 749 HD1 HIS 96 1HD HIS 96 0.296 6.099 -48.831 750 HD2 HIS 96 2HD HIS 96 3.646 3.737 -49.574 751 HE1 HIS 96 1HE HIS 96 0.064 5.318 -51.210 752 HE2 HIS 96 2HE HIS 96 2.129 3.940 -51.662 753 H HIS 97 H HIS 97 2.320 8.488 -48.748 754 HA HIS 97 HA HIS 97 -0.096 9.269 -47.262 755 1HB HIS 97 2HB HIS 97 0.007 11.354 -48.759 756 2HB HIS 97 1HB HIS 97 1.202 11.221 -47.479 757 HD1 HIS 97 1HD HIS 97 0.915 10.752 -51.238 758 HD2 HIS 97 2HD HIS 97 3.791 11.371 -48.299 759 HE1 HIS 97 1HE HIS 97 3.060 11.200 -52.473 760 HE2 HIS 97 2HE HIS 97 4.814 11.432 -50.673 Start of MODEL 13 1 1H MET 1 1HT MET 1 4.406 18.751 -9.628 2 2H MET 1 2HT MET 1 5.739 18.575 -10.663 3 3H MET 1 3HT MET 1 5.885 19.482 -9.236 4 HA MET 1 HA MET 1 5.452 17.498 -7.925 5 1HB MET 1 2HB MET 1 4.177 16.272 -9.654 6 2HB MET 1 1HB MET 1 5.644 16.103 -10.612 7 1HG MET 1 2HG MET 1 6.645 14.757 -8.833 8 2HG MET 1 1HG MET 1 5.174 14.921 -7.877 9 1HE MET 1 1HE MET 1 5.311 12.754 -11.943 10 2HE MET 1 2HE MET 1 6.739 13.472 -11.199 11 3HE MET 1 3HE MET 1 5.420 14.504 -11.755 12 HA PRO 2 HA PRO 2 9.927 18.041 -8.224 13 1HB PRO 2 2HB PRO 2 9.867 17.676 -5.332 14 2HB PRO 2 1HB PRO 2 10.368 19.090 -6.262 15 1HG PRO 2 2HG PRO 2 8.112 19.043 -4.754 16 2HG PRO 2 1HG PRO 2 8.271 20.024 -6.222 17 1HD PRO 2 2HD PRO 2 6.904 17.386 -5.842 18 2HD PRO 2 1HD PRO 2 6.382 18.798 -6.787 19 H THR 3 H THR 3 8.187 15.720 -6.272 20 HA THR 3 HA THR 3 9.814 13.559 -7.263 21 HB THR 3 HB THR 3 11.165 14.305 -5.352 22 HG1 THR 3 1HG THR 3 10.376 12.118 -4.074 23 1HG2 THR 3 1HG2 THR 3 10.266 14.110 -3.053 24 2HG2 THR 3 2HG2 THR 3 8.662 13.830 -3.736 25 3HG2 THR 3 3HG2 THR 3 9.478 15.373 -3.994 26 H LYS 4 H LYS 4 9.011 11.453 -6.229 27 HA LYS 4 HA LYS 4 6.170 11.582 -5.527 28 1HB LYS 4 2HB LYS 4 6.685 11.120 -8.058 29 2HB LYS 4 1HB LYS 4 7.142 9.522 -7.489 30 1HG LYS 4 2HG LYS 4 4.469 10.739 -6.880 31 2HG LYS 4 1HG LYS 4 4.777 9.821 -8.351 32 1HD LYS 4 2HD LYS 4 5.362 7.864 -7.037 33 2HD LYS 4 1HD LYS 4 5.160 8.785 -5.543 34 1HE LYS 4 2HE LYS 4 3.201 7.391 -6.005 35 2HE LYS 4 1HE LYS 4 2.797 9.108 -6.045 36 1HZ LYS 4 1HZ LYS 4 3.033 8.972 -8.517 37 2HZ LYS 4 2HZ LYS 4 1.741 8.083 -7.887 38 3HZ LYS 4 3HZ LYS 4 3.160 7.287 -8.368 39 H THR 5 H THR 5 6.513 10.929 -3.461 40 HA THR 5 HA THR 5 8.393 8.814 -2.859 41 HB THR 5 HB THR 5 6.565 9.961 -0.802 42 HG1 THR 5 1HG THR 5 7.505 11.908 -0.866 43 1HG2 THR 5 1HG2 THR 5 8.606 9.861 0.566 44 2HG2 THR 5 2HG2 THR 5 9.509 9.288 -0.837 45 3HG2 THR 5 3HG2 THR 5 8.223 8.295 -0.151 46 H TYR 6 H TYR 6 7.855 6.941 -1.693 47 HA TYR 6 HA TYR 6 5.135 6.114 -1.306 48 1HB TYR 6 2HB TYR 6 6.059 5.630 -3.822 49 2HB TYR 6 1HB TYR 6 6.595 4.168 -3.000 50 HD1 TYR 6 1HD TYR 6 3.683 6.147 -4.035 51 HD2 TYR 6 2HD TYR 6 4.992 2.535 -2.205 52 HE1 TYR 6 1HE TYR 6 1.418 5.224 -4.260 53 HE2 TYR 6 2HE TYR 6 2.726 1.598 -2.428 54 HH TYR 6 HH TYR 6 0.403 2.419 -2.661 55 H SER 7 H SER 7 5.166 5.005 0.526 56 HA SER 7 HA SER 7 7.518 4.667 1.981 57 1HB SER 7 2HB SER 7 4.896 3.253 2.478 58 2HB SER 7 1HB SER 7 6.128 3.672 3.669 59 HG SER 7 HG SER 7 5.707 5.903 3.140 60 H GLU 8 H GLU 8 8.884 3.042 2.355 61 HA GLU 8 HA GLU 8 9.087 0.881 0.559 62 1HB GLU 8 2HB GLU 8 10.445 1.511 3.164 63 2HB GLU 8 1HB GLU 8 10.762 0.004 2.322 64 1HG GLU 8 2HG GLU 8 12.470 1.617 1.803 65 2HG GLU 8 1HG GLU 8 11.515 1.273 0.363 66 H GLU 9 H GLU 9 7.459 1.244 3.587 67 HA GLU 9 HA GLU 9 7.262 -1.445 4.351 68 1HB GLU 9 2HB GLU 9 6.643 0.549 5.750 69 2HB GLU 9 1HB GLU 9 5.170 0.683 4.799 70 1HG GLU 9 2HG GLU 9 4.518 -1.569 5.501 71 2HG GLU 9 1HG GLU 9 5.977 -1.675 6.483 72 H PHE 10 H PHE 10 5.303 0.512 2.168 73 HA PHE 10 HA PHE 10 3.265 -1.395 1.705 74 1HB PHE 10 2HB PHE 10 3.208 1.084 1.114 75 2HB PHE 10 1HB PHE 10 4.228 0.690 -0.264 76 HD1 PHE 10 1HD PHE 10 3.350 -0.695 -2.101 77 HD2 PHE 10 2HD PHE 10 0.882 0.566 1.130 78 HE1 PHE 10 1HE PHE 10 1.344 -1.236 -3.421 79 HE2 PHE 10 2HE PHE 10 -1.125 0.015 -0.180 80 HZ PHE 10 HZ PHE 10 -0.896 -0.886 -2.461 81 H LYS 11 H LYS 11 6.315 -0.662 0.115 82 HA LYS 11 HA LYS 11 6.132 -2.511 -1.994 83 1HB LYS 11 2HB LYS 11 8.657 -1.588 -0.610 84 2HB LYS 11 1HB LYS 11 8.507 -2.172 -2.262 85 1HG LYS 11 2HG LYS 11 7.342 -0.212 -2.938 86 2HG LYS 11 1HG LYS 11 7.158 0.327 -1.267 87 1HD LYS 11 2HD LYS 11 9.621 0.514 -1.103 88 2HD LYS 11 1HD LYS 11 9.739 0.080 -2.806 89 1HE LYS 11 2HE LYS 11 8.593 2.055 -3.469 90 2HE LYS 11 1HE LYS 11 8.167 2.440 -1.802 91 1HZ LYS 11 1HZ LYS 11 10.984 2.272 -2.702 92 2HZ LYS 11 2HZ LYS 11 10.378 2.998 -1.293 93 3HZ LYS 11 3HZ LYS 11 10.093 3.705 -2.803 94 H ARG 12 H ARG 12 7.591 -2.731 1.225 95 HA ARG 12 HA ARG 12 8.587 -5.333 1.105 96 1HB ARG 12 2HB ARG 12 9.124 -3.774 2.915 97 2HB ARG 12 1HB ARG 12 7.457 -3.823 3.469 98 1HG ARG 12 2HG ARG 12 7.766 -6.272 3.896 99 2HG ARG 12 1HG ARG 12 9.482 -6.045 3.551 100 1HD ARG 12 2HD ARG 12 9.607 -4.376 5.351 101 2HD ARG 12 1HD ARG 12 7.901 -4.643 5.706 102 HE ARG 12 HE ARG 12 9.888 -6.817 5.928 103 1HH1 ARG 12 1HH1 ARG 12 7.221 -4.941 7.235 104 2HH1 ARG 12 2HH1 ARG 12 7.185 -5.810 8.737 105 1HH2 ARG 12 1HH2 ARG 12 9.805 -7.974 7.933 106 2HH2 ARG 12 2HH2 ARG 12 8.630 -7.515 9.132 107 H ASP 13 H ASP 13 5.414 -4.162 2.180 108 HA ASP 13 HA ASP 13 4.364 -6.694 2.870 109 1HB ASP 13 2HB ASP 13 3.399 -4.584 3.678 110 2HB ASP 13 1HB ASP 13 2.906 -4.178 2.036 111 H ALA 14 H ALA 14 4.410 -4.853 -0.128 112 HA ALA 14 HA ALA 14 2.622 -6.441 -1.610 113 1HB ALA 14 1HB ALA 14 3.324 -4.234 -2.352 114 2HB ALA 14 2HB ALA 14 3.683 -5.441 -3.587 115 3HB ALA 14 3HB ALA 14 4.977 -4.811 -2.567 116 H VAL 15 H VAL 15 6.105 -6.742 -1.022 117 HA VAL 15 HA VAL 15 6.477 -8.962 -2.764 118 HB VAL 15 HB VAL 15 8.136 -8.300 -0.320 119 1HG1 VAL 15 1HG1 VAL 15 8.588 -10.500 -1.229 120 2HG1 VAL 15 2HG1 VAL 15 9.938 -9.415 -1.562 121 3HG1 VAL 15 3HG1 VAL 15 8.791 -9.818 -2.841 122 1HG2 VAL 15 1HG2 VAL 15 8.016 -6.319 -1.664 123 2HG2 VAL 15 2HG2 VAL 15 8.345 -7.239 -3.130 124 3HG2 VAL 15 3HG2 VAL 15 9.597 -7.065 -1.901 125 H ALA 16 H ALA 16 5.519 -8.605 0.590 126 HA ALA 16 HA ALA 16 5.578 -11.389 1.223 127 1HB ALA 16 1HB ALA 16 4.089 -9.127 2.544 128 2HB ALA 16 2HB ALA 16 5.695 -9.715 2.972 129 3HB ALA 16 3HB ALA 16 4.288 -10.750 3.211 130 H LEU 17 H LEU 17 3.241 -9.219 -0.194 131 HA LEU 17 HA LEU 17 0.957 -10.845 -0.023 132 1HB LEU 17 2HB LEU 17 1.763 -8.762 -2.048 133 2HB LEU 17 1HB LEU 17 0.192 -9.538 -2.043 134 HG LEU 17 HG LEU 17 1.316 -7.832 0.181 135 1HD1 LEU 17 1HD1 LEU 17 -0.413 -6.238 -0.492 136 2HD1 LEU 17 2HD1 LEU 17 -0.854 -7.288 -1.837 137 3HD1 LEU 17 3HD1 LEU 17 0.739 -6.534 -1.795 138 1HD2 LEU 17 1HD2 LEU 17 -0.913 -8.011 1.158 139 2HD2 LEU 17 2HD2 LEU 17 -0.155 -9.597 1.011 140 3HD2 LEU 17 3HD2 LEU 17 -1.398 -9.105 -0.139 141 H TYR 18 H TYR 18 3.716 -10.911 -2.136 142 HA TYR 18 HA TYR 18 2.710 -12.613 -4.138 143 1HB TYR 18 2HB TYR 18 4.840 -11.346 -4.295 144 2HB TYR 18 1HB TYR 18 5.542 -12.419 -3.092 145 HD1 TYR 18 1HD TYR 18 6.357 -14.591 -3.702 146 HD2 TYR 18 2HD TYR 18 4.260 -12.219 -6.551 147 HE1 TYR 18 1HE TYR 18 7.074 -16.117 -5.496 148 HE2 TYR 18 2HE TYR 18 4.966 -13.742 -8.348 149 HH TYR 18 HH TYR 18 6.163 -16.774 -7.825 150 H GLU 19 H GLU 19 3.947 -13.217 -0.914 151 HA GLU 19 HA GLU 19 3.991 -16.079 -1.233 152 1HB GLU 19 2HB GLU 19 4.159 -14.376 1.259 153 2HB GLU 19 1HB GLU 19 4.376 -16.121 1.220 154 1HG GLU 19 2HG GLU 19 6.252 -15.671 -0.450 155 2HG GLU 19 1HG GLU 19 6.135 -13.988 0.066 156 H ASN 20 H ASN 20 1.610 -13.736 -0.581 157 HA ASN 20 HA ASN 20 -0.178 -15.599 0.790 158 1HB ASN 20 2HB ASN 20 -0.296 -12.660 0.173 159 2HB ASN 20 1HB ASN 20 -1.750 -13.533 0.635 160 1HD2 ASN 20 1HD2 ASN 20 1.343 -12.350 1.683 161 2HD2 ASN 20 2HD2 ASN 20 1.058 -12.555 3.381 162 H SER 21 H SER 21 0.702 -15.631 -2.158 163 HA SER 21 HA SER 21 -1.574 -15.003 -3.726 164 1HB SER 21 2HB SER 21 -0.318 -16.437 -5.448 165 2HB SER 21 1HB SER 21 0.462 -14.969 -4.863 166 HG SER 21 HG SER 21 1.946 -16.109 -3.893 167 H ASP 22 H ASP 22 -0.839 -17.636 -1.741 168 HA ASP 22 HA ASP 22 -2.080 -19.798 -2.926 169 1HB ASP 22 2HB ASP 22 -2.050 -18.995 -0.015 170 2HB ASP 22 1HB ASP 22 -2.652 -20.544 -0.590 171 H GLY 23 H GLY 23 -3.521 -16.981 -1.489 172 1HA GLY 23 2HA GLY 23 -6.198 -18.165 -1.784 173 2HA GLY 23 1HA GLY 23 -5.806 -16.771 -0.791 174 H ALA 24 H ALA 24 -4.097 -16.067 -3.405 175 HA ALA 24 HA ALA 24 -6.192 -15.135 -5.148 176 1HB ALA 24 1HB ALA 24 -6.399 -13.488 -3.371 177 2HB ALA 24 2HB ALA 24 -5.725 -12.740 -4.820 178 3HB ALA 24 3HB ALA 24 -4.672 -13.143 -3.465 179 H SER 25 H SER 25 -5.415 -15.028 -7.132 180 HA SER 25 HA SER 25 -2.742 -15.644 -7.745 181 1HB SER 25 2HB SER 25 -4.626 -16.114 -9.263 182 2HB SER 25 1HB SER 25 -4.861 -14.384 -9.507 183 HG SER 25 HG SER 25 -2.966 -16.098 -10.567 184 H LEU 26 H LEU 26 -1.217 -14.335 -8.967 185 HA LEU 26 HA LEU 26 -0.517 -11.950 -7.703 186 1HB LEU 26 2HB LEU 26 0.902 -13.550 -9.109 187 2HB LEU 26 1HB LEU 26 0.288 -12.705 -10.513 188 HG LEU 26 HG LEU 26 1.722 -11.225 -8.320 189 1HD1 LEU 26 1HD1 LEU 26 3.205 -13.023 -9.021 190 2HD1 LEU 26 2HD1 LEU 26 3.782 -11.470 -9.624 191 3HD1 LEU 26 3HD1 LEU 26 2.958 -12.584 -10.714 192 1HD2 LEU 26 1HD2 LEU 26 0.492 -9.888 -9.954 193 2HD2 LEU 26 2HD2 LEU 26 1.368 -10.681 -11.264 194 3HD2 LEU 26 3HD2 LEU 26 2.234 -9.661 -10.116 195 H GLN 27 H GLN 27 -2.406 -12.539 -10.617 196 HA GLN 27 HA GLN 27 -2.581 -9.876 -11.529 197 1HB GLN 27 2HB GLN 27 -3.257 -12.002 -12.770 198 2HB GLN 27 1HB GLN 27 -4.747 -11.958 -11.839 199 1HG GLN 27 2HG GLN 27 -5.129 -10.986 -13.998 200 2HG GLN 27 1HG GLN 27 -5.217 -9.719 -12.772 201 1HE2 GLN 27 1HE2 GLN 27 -4.773 -8.116 -14.304 202 2HE2 GLN 27 2HE2 GLN 27 -3.179 -7.894 -14.950 203 H GLN 28 H GLN 28 -4.398 -11.709 -9.158 204 HA GLN 28 HA GLN 28 -6.422 -9.737 -8.763 205 1HB GLN 28 2HB GLN 28 -6.744 -12.144 -8.227 206 2HB GLN 28 1HB GLN 28 -5.565 -11.987 -6.932 207 1HG GLN 28 2HG GLN 28 -7.823 -11.933 -6.060 208 2HG GLN 28 1HG GLN 28 -7.011 -10.390 -5.795 209 1HE2 GLN 28 1HE2 GLN 28 -7.730 -8.570 -6.847 210 2HE2 GLN 28 2HE2 GLN 28 -9.232 -8.517 -7.711 211 H ILE 29 H ILE 29 -3.368 -10.563 -7.194 212 HA ILE 29 HA ILE 29 -3.444 -8.826 -5.017 213 HB ILE 29 HB ILE 29 -1.031 -9.547 -6.689 214 1HG1 ILE 29 2HG1 ILE 29 -2.285 -11.510 -5.793 215 2HG1 ILE 29 1HG1 ILE 29 -0.658 -11.365 -5.136 216 1HG2 ILE 29 1HG2 ILE 29 0.283 -9.018 -4.709 217 2HG2 ILE 29 2HG2 ILE 29 -1.183 -8.565 -3.841 218 3HG2 ILE 29 3HG2 ILE 29 -0.652 -7.616 -5.229 219 1HD1 ILE 29 1HD1 ILE 29 -1.563 -10.420 -3.089 220 2HD1 ILE 29 2HD1 ILE 29 -2.266 -12.000 -3.434 221 3HD1 ILE 29 3HD1 ILE 29 -3.194 -10.534 -3.750 222 H ALA 30 H ALA 30 -2.162 -8.263 -8.287 223 HA ALA 30 HA ALA 30 -1.446 -5.572 -7.915 224 1HB ALA 30 1HB ALA 30 -1.346 -5.437 -10.345 225 2HB ALA 30 2HB ALA 30 -2.234 -6.954 -10.477 226 3HB ALA 30 3HB ALA 30 -0.621 -6.938 -9.767 227 H ASN 31 H ASN 31 -4.461 -7.038 -9.071 228 HA ASN 31 HA ASN 31 -5.735 -4.601 -9.724 229 1HB ASN 31 2HB ASN 31 -6.570 -7.424 -9.370 230 2HB ASN 31 1HB ASN 31 -7.824 -6.202 -9.257 231 1HD2 ASN 31 1HD2 ASN 31 -5.559 -7.802 -11.331 232 2HD2 ASN 31 2HD2 ASN 31 -6.170 -7.160 -12.823 233 H ASP 32 H ASP 32 -5.572 -6.525 -6.782 234 HA ASP 32 HA ASP 32 -7.564 -5.159 -5.335 235 1HB ASP 32 2HB ASP 32 -6.664 -7.344 -4.647 236 2HB ASP 32 1HB ASP 32 -5.110 -6.594 -4.299 237 H LEU 33 H LEU 33 -4.100 -4.637 -5.682 238 HA LEU 33 HA LEU 33 -4.029 -2.412 -3.901 239 1HB LEU 33 2HB LEU 33 -2.074 -3.340 -5.999 240 2HB LEU 33 1HB LEU 33 -1.754 -2.085 -4.826 241 HG LEU 33 HG LEU 33 -2.263 -4.991 -4.215 242 1HD1 LEU 33 1HD1 LEU 33 0.066 -4.996 -3.482 243 2HD1 LEU 33 2HD1 LEU 33 0.233 -3.318 -3.997 244 3HD1 LEU 33 3HD1 LEU 33 -0.072 -4.580 -5.189 245 1HD2 LEU 33 1HD2 LEU 33 -1.751 -4.417 -1.906 246 2HD2 LEU 33 2HD2 LEU 33 -3.167 -3.532 -2.474 247 3HD2 LEU 33 3HD2 LEU 33 -1.608 -2.715 -2.350 248 H GLY 34 H GLY 34 -4.340 -2.851 -7.362 249 1HA GLY 34 2HA GLY 34 -5.487 -1.300 -8.757 250 2HA GLY 34 1HA GLY 34 -5.108 -0.025 -7.606 251 H ILE 35 H ILE 35 -2.688 -2.290 -8.603 252 HA ILE 35 HA ILE 35 -1.398 -0.174 -10.192 253 HB ILE 35 HB ILE 35 0.778 -1.024 -9.398 254 1HG1 ILE 35 2HG1 ILE 35 -0.862 -2.696 -7.476 255 2HG1 ILE 35 1HG1 ILE 35 0.030 -3.323 -8.858 256 1HG2 ILE 35 1HG2 ILE 35 -0.214 0.887 -8.299 257 2HG2 ILE 35 2HG2 ILE 35 0.657 -0.105 -7.132 258 3HG2 ILE 35 3HG2 ILE 35 -1.103 -0.175 -7.205 259 1HD1 ILE 35 1HD1 ILE 35 1.223 -1.952 -6.455 260 2HD1 ILE 35 2HD1 ILE 35 2.120 -2.568 -7.842 261 3HD1 ILE 35 3HD1 ILE 35 1.250 -3.684 -6.793 262 H ASN 36 H ASN 36 0.480 -1.199 -11.522 263 HA ASN 36 HA ASN 36 -0.597 -3.319 -13.123 264 1HB ASN 36 2HB ASN 36 0.631 -1.452 -14.118 265 2HB ASN 36 1HB ASN 36 2.053 -1.873 -13.183 266 1HD2 ASN 36 1HD2 ASN 36 3.252 -2.058 -15.024 267 2HD2 ASN 36 2HD2 ASN 36 3.111 -3.410 -16.083 268 H ARG 37 H ARG 37 0.243 -5.411 -13.316 269 HA ARG 37 HA ARG 37 1.293 -6.558 -10.969 270 1HB ARG 37 2HB ARG 37 1.480 -8.602 -12.393 271 2HB ARG 37 1HB ARG 37 -0.109 -7.878 -12.336 272 1HG ARG 37 2HG ARG 37 0.178 -6.945 -14.527 273 2HG ARG 37 1HG ARG 37 1.858 -7.491 -14.577 274 1HD ARG 37 2HD ARG 37 1.208 -9.769 -14.623 275 2HD ARG 37 1HD ARG 37 -0.463 -9.373 -14.229 276 HE ARG 37 HE ARG 37 -0.430 -8.207 -16.499 277 1HH1 ARG 37 1HH1 ARG 37 1.457 -11.052 -15.729 278 2HH1 ARG 37 2HH1 ARG 37 1.434 -11.674 -17.345 279 1HH2 ARG 37 1HH2 ARG 37 -0.500 -9.051 -18.648 280 2HH2 ARG 37 2HH2 ARG 37 0.346 -10.536 -19.000 281 H VAL 38 H VAL 38 2.740 -5.444 -13.935 282 HA VAL 38 HA VAL 38 5.314 -6.557 -13.514 283 HB VAL 38 HB VAL 38 4.582 -4.058 -15.061 284 1HG1 VAL 38 1HG1 VAL 38 6.687 -4.449 -16.269 285 2HG1 VAL 38 2HG1 VAL 38 7.051 -5.794 -15.186 286 3HG1 VAL 38 3HG1 VAL 38 6.966 -4.152 -14.552 287 1HG2 VAL 38 1HG2 VAL 38 4.591 -5.512 -17.032 288 2HG2 VAL 38 2HG2 VAL 38 3.381 -6.040 -15.861 289 3HG2 VAL 38 3HG2 VAL 38 4.907 -6.911 -16.006 290 H THR 39 H THR 39 3.872 -3.416 -12.657 291 HA THR 39 HA THR 39 6.152 -2.309 -11.440 292 HB THR 39 HB THR 39 3.316 -1.820 -10.529 293 HG1 THR 39 1HG THR 39 4.006 -0.031 -12.353 294 1HG2 THR 39 1HG2 THR 39 4.117 0.437 -10.090 295 2HG2 THR 39 2HG2 THR 39 5.713 0.012 -10.709 296 3HG2 THR 39 3HG2 THR 39 5.111 -0.736 -9.229 297 H LEU 40 H LEU 40 3.604 -4.397 -10.180 298 HA LEU 40 HA LEU 40 4.427 -4.487 -7.497 299 1HB LEU 40 2HB LEU 40 2.278 -5.342 -8.292 300 2HB LEU 40 1HB LEU 40 3.097 -6.594 -9.205 301 HG LEU 40 HG LEU 40 3.945 -7.521 -7.039 302 1HD1 LEU 40 1HD1 LEU 40 2.002 -5.540 -5.861 303 2HD1 LEU 40 2HD1 LEU 40 3.755 -5.524 -5.673 304 3HD1 LEU 40 3HD1 LEU 40 2.805 -6.839 -4.979 305 1HD2 LEU 40 1HD2 LEU 40 0.949 -7.349 -7.351 306 2HD2 LEU 40 2HD2 LEU 40 1.828 -8.577 -6.440 307 3HD2 LEU 40 3HD2 LEU 40 2.015 -8.476 -8.191 308 H LYS 41 H LYS 41 5.273 -6.487 -10.284 309 HA LYS 41 HA LYS 41 6.954 -8.330 -9.048 310 1HB LYS 41 2HB LYS 41 6.131 -8.498 -11.368 311 2HB LYS 41 1HB LYS 41 7.179 -7.172 -11.829 312 1HG LYS 41 2HG LYS 41 9.130 -8.510 -11.181 313 2HG LYS 41 1HG LYS 41 8.057 -9.856 -10.798 314 1HD LYS 41 2HD LYS 41 7.350 -10.019 -13.091 315 2HD LYS 41 1HD LYS 41 8.242 -8.557 -13.515 316 1HE LYS 41 2HE LYS 41 10.341 -9.668 -12.983 317 2HE LYS 41 1HE LYS 41 9.467 -11.120 -12.504 318 1HZ LYS 41 1HZ LYS 41 10.484 -10.993 -14.839 319 2HZ LYS 41 2HZ LYS 41 9.149 -10.013 -15.222 320 3HZ LYS 41 3HZ LYS 41 8.908 -11.603 -14.675 321 H ASN 42 H ASN 42 7.655 -5.181 -10.450 322 HA ASN 42 HA ASN 42 10.411 -5.144 -10.335 323 1HB ASN 42 2HB ASN 42 8.365 -2.970 -10.033 324 2HB ASN 42 1HB ASN 42 10.075 -2.600 -9.886 325 1HD2 ASN 42 1HD2 ASN 42 9.981 -1.283 -11.721 326 2HD2 ASN 42 2HD2 ASN 42 9.873 -1.943 -13.316 327 H TRP 43 H TRP 43 8.148 -4.255 -7.732 328 HA TRP 43 HA TRP 43 10.193 -3.643 -5.853 329 1HB TRP 43 2HB TRP 43 7.311 -4.446 -5.412 330 2HB TRP 43 1HB TRP 43 8.388 -3.881 -4.140 331 HD1 TRP 43 HD TRP 43 9.649 -1.540 -6.190 332 HE1 TRP 43 1HE TRP 43 8.249 0.605 -6.454 333 HE3 TRP 43 3HE TRP 43 5.137 -3.321 -4.589 334 HZ2 TRP 43 2HZ TRP 43 5.578 1.431 -6.036 335 HZ3 TRP 43 3HZ TRP 43 3.210 -1.793 -4.545 336 HH2 TRP 43 HH TRP 43 3.426 0.538 -5.252 337 H ILE 44 H ILE 44 8.352 -6.568 -6.557 338 HA ILE 44 HA ILE 44 9.283 -8.141 -4.427 339 HB ILE 44 HB ILE 44 8.413 -9.030 -7.178 340 1HG1 ILE 44 2HG1 ILE 44 6.825 -8.845 -4.604 341 2HG1 ILE 44 1HG1 ILE 44 6.745 -7.670 -5.911 342 1HG2 ILE 44 1HG2 ILE 44 9.648 -10.783 -6.036 343 2HG2 ILE 44 2HG2 ILE 44 7.935 -11.194 -6.125 344 3HG2 ILE 44 3HG2 ILE 44 8.624 -10.602 -4.612 345 1HD1 ILE 44 1HD1 ILE 44 5.906 -9.402 -7.414 346 2HD1 ILE 44 2HD1 ILE 44 4.873 -9.191 -6.000 347 3HD1 ILE 44 3HD1 ILE 44 5.970 -10.567 -6.091 348 H ILE 45 H ILE 45 10.611 -7.526 -7.627 349 HA ILE 45 HA ILE 45 12.663 -9.447 -7.584 350 HB ILE 45 HB ILE 45 12.612 -6.771 -8.992 351 1HG1 ILE 45 2HG1 ILE 45 11.995 -9.547 -10.028 352 2HG1 ILE 45 1HG1 ILE 45 10.781 -8.346 -9.609 353 1HG2 ILE 45 1HG2 ILE 45 14.336 -7.749 -10.464 354 2HG2 ILE 45 2HG2 ILE 45 14.407 -9.159 -9.407 355 3HG2 ILE 45 3HG2 ILE 45 14.889 -7.577 -8.798 356 1HD1 ILE 45 1HD1 ILE 45 11.659 -6.864 -11.347 357 2HD1 ILE 45 2HD1 ILE 45 11.128 -8.416 -11.995 358 3HD1 ILE 45 3HD1 ILE 45 12.847 -8.095 -11.777 359 H LYS 46 H LYS 46 12.736 -5.987 -6.713 360 HA LYS 46 HA LYS 46 15.521 -6.090 -6.048 361 1HB LYS 46 2HB LYS 46 14.382 -4.060 -6.940 362 2HB LYS 46 1HB LYS 46 13.530 -3.912 -5.409 363 1HG LYS 46 2HG LYS 46 15.675 -3.681 -4.247 364 2HG LYS 46 1HG LYS 46 16.514 -3.785 -5.793 365 1HD LYS 46 2HD LYS 46 15.283 -1.769 -6.542 366 2HD LYS 46 1HD LYS 46 14.573 -1.643 -4.932 367 1HE LYS 46 2HE LYS 46 17.525 -1.576 -5.550 368 2HE LYS 46 1HE LYS 46 16.523 -0.164 -5.223 369 1HZ LYS 46 1HZ LYS 46 17.884 -1.108 -3.320 370 2HZ LYS 46 2HZ LYS 46 16.758 -2.380 -3.270 371 3HZ LYS 46 3HZ LYS 46 16.252 -0.786 -3.009 372 H TYR 47 H TYR 47 12.544 -5.764 -4.118 373 HA TYR 47 HA TYR 47 14.071 -5.641 -1.676 374 1HB TYR 47 2HB TYR 47 11.092 -5.749 -2.188 375 2HB TYR 47 1HB TYR 47 11.810 -5.594 -0.587 376 HD1 TYR 47 1HD TYR 47 12.560 -3.482 0.211 377 HD2 TYR 47 2HD TYR 47 11.456 -3.917 -3.873 378 HE1 TYR 47 1HE TYR 47 12.677 -1.041 -0.076 379 HE2 TYR 47 2HE TYR 47 11.574 -1.480 -4.172 380 HH TYR 47 HH TYR 47 12.986 0.606 -1.853 381 H GLY 48 H GLY 48 12.665 -8.089 -3.608 382 1HA GLY 48 2HA GLY 48 13.042 -10.044 -1.444 383 2HA GLY 48 1HA GLY 48 12.073 -10.306 -2.884 384 H SER 49 H SER 49 15.242 -8.827 -3.112 385 HA SER 49 HA SER 49 16.240 -10.945 -4.751 386 1HB SER 49 2HB SER 49 17.796 -8.717 -3.409 387 2HB SER 49 1HB SER 49 18.347 -9.713 -4.753 388 HG SER 49 HG SER 49 16.027 -8.655 -5.465 389 H ASN 50 H ASN 50 16.994 -9.795 -1.511 390 HA ASN 50 HA ASN 50 17.649 -12.505 -0.668 391 1HB ASN 50 2HB ASN 50 19.825 -11.525 -1.319 392 2HB ASN 50 1HB ASN 50 19.523 -10.149 -0.265 393 1HD2 ASN 50 1HD2 ASN 50 21.262 -10.469 1.047 394 2HD2 ASN 50 2HD2 ASN 50 21.414 -11.817 2.115 395 H HIS 51 H HIS 51 17.564 -9.096 0.284 396 HA HIS 51 HA HIS 51 15.399 -9.503 2.092 397 1HB HIS 51 2HB HIS 51 17.497 -10.330 3.364 398 2HB HIS 51 1HB HIS 51 17.947 -8.631 3.448 399 HD1 HIS 51 1HD HIS 51 15.605 -11.141 4.856 400 HD2 HIS 51 2HD HIS 51 16.314 -7.051 5.144 401 HE1 HIS 51 1HE HIS 51 14.298 -10.366 6.860 402 HE2 HIS 51 2HE HIS 51 14.946 -7.944 7.150 403 H ASN 52 H ASN 52 17.895 -7.585 0.690 404 HA ASN 52 HA ASN 52 18.072 -5.453 0.023 405 1HB ASN 52 2HB ASN 52 15.882 -5.830 -0.998 406 2HB ASN 52 1HB ASN 52 15.100 -5.373 0.508 407 1HD2 ASN 52 1HD2 ASN 52 15.136 -3.197 1.155 408 2HD2 ASN 52 2HD2 ASN 52 15.474 -1.924 0.036 409 H VAL 53 H VAL 53 19.349 -4.644 1.586 410 HA VAL 53 HA VAL 53 18.259 -3.628 4.064 411 HB VAL 53 HB VAL 53 21.042 -3.298 2.918 412 1HG1 VAL 53 1HG1 VAL 53 21.684 -2.770 5.229 413 2HG1 VAL 53 2HG1 VAL 53 19.995 -2.890 5.723 414 3HG1 VAL 53 3HG1 VAL 53 20.500 -1.618 4.611 415 1HG2 VAL 53 1HG2 VAL 53 21.672 -5.113 4.453 416 2HG2 VAL 53 2HG2 VAL 53 20.503 -5.652 3.246 417 3HG2 VAL 53 3HG2 VAL 53 19.978 -5.317 4.897 418 H GLN 54 H GLN 54 19.483 -2.394 1.004 419 HA GLN 54 HA GLN 54 19.100 0.366 1.794 420 1HB GLN 54 2HB GLN 54 19.855 -0.823 -0.883 421 2HB GLN 54 1HB GLN 54 19.877 0.888 -0.482 422 1HG GLN 54 2HG GLN 54 21.569 -1.234 0.818 423 2HG GLN 54 1HG GLN 54 22.108 -0.108 -0.426 424 1HE2 GLN 54 1HE2 GLN 54 23.093 -0.489 2.285 425 2HE2 GLN 54 2HE2 GLN 54 22.958 1.050 3.068 426 H GLY 55 H GLY 55 16.943 0.721 2.115 427 1HA GLY 55 2HA GLY 55 14.853 -0.196 0.472 428 2HA GLY 55 1HA GLY 55 14.757 1.180 1.557 429 H THR 56 H THR 56 17.022 2.452 0.166 430 HA THR 56 HA THR 56 17.527 3.808 -1.587 431 HB THR 56 HB THR 56 15.258 2.716 -3.174 432 HG1 THR 56 1HG THR 56 17.237 1.277 -2.157 433 1HG2 THR 56 1HG2 THR 56 17.974 3.763 -3.947 434 2HG2 THR 56 2HG2 THR 56 16.451 4.640 -4.089 435 3HG2 THR 56 3HG2 THR 56 16.732 3.200 -5.067 436 H THR 57 H THR 57 17.101 5.804 -1.117 437 HA THR 57 HA THR 57 14.487 6.957 -1.553 438 HB THR 57 HB THR 57 15.735 7.199 1.197 439 HG1 THR 57 1HG THR 57 13.796 5.414 0.162 440 1HG2 THR 57 1HG2 THR 57 13.027 8.000 0.120 441 2HG2 THR 57 2HG2 THR 57 14.346 9.095 0.527 442 3HG2 THR 57 3HG2 THR 57 13.555 8.163 1.797 443 HA PRO 58 HA PRO 58 17.681 9.999 -2.659 444 1HB PRO 58 2HB PRO 58 15.586 11.223 -4.271 445 2HB PRO 58 1HB PRO 58 17.092 10.466 -4.796 446 1HG PRO 58 2HG PRO 58 14.650 9.375 -5.272 447 2HG PRO 58 1HG PRO 58 16.121 8.407 -5.065 448 1HD PRO 58 2HD PRO 58 13.938 8.980 -3.091 449 2HD PRO 58 1HD PRO 58 14.794 7.457 -3.410 450 H SER 59 H SER 59 17.749 11.035 -0.656 451 HA SER 59 HA SER 59 15.497 12.703 0.133 452 1HB SER 59 2HB SER 59 18.116 12.212 1.572 453 2HB SER 59 1HB SER 59 16.651 12.923 2.255 454 HG SER 59 HG SER 59 16.838 10.291 1.194 455 H ALA 60 H ALA 60 18.988 13.092 -0.449 456 HA ALA 60 HA ALA 60 18.839 15.950 -0.223 457 1HB ALA 60 1HB ALA 60 20.833 14.697 0.461 458 2HB ALA 60 2HB ALA 60 21.208 15.932 -0.740 459 3HB ALA 60 3HB ALA 60 21.112 14.237 -1.217 460 H ALA 61 H ALA 61 18.381 13.691 -2.734 461 HA ALA 61 HA ALA 61 19.292 15.310 -4.901 462 1HB ALA 61 1HB ALA 61 18.354 13.599 -6.337 463 2HB ALA 61 2HB ALA 61 17.500 12.892 -4.965 464 3HB ALA 61 3HB ALA 61 19.264 12.862 -5.017 465 H VAL 62 H VAL 62 16.664 15.616 -2.966 466 HA VAL 62 HA VAL 62 14.660 16.264 -4.892 467 HB VAL 62 HB VAL 62 14.801 16.978 -1.958 468 1HG1 VAL 62 1HG1 VAL 62 13.276 18.455 -3.146 469 2HG1 VAL 62 2HG1 VAL 62 12.376 17.326 -2.133 470 3HG1 VAL 62 3HG1 VAL 62 12.470 17.067 -3.875 471 1HG2 VAL 62 1HG2 VAL 62 14.805 14.579 -2.315 472 2HG2 VAL 62 2HG2 VAL 62 13.409 14.714 -3.384 473 3HG2 VAL 62 3HG2 VAL 62 13.246 15.095 -1.671 474 H SER 63 H SER 63 16.871 18.144 -2.891 475 HA SER 63 HA SER 63 15.921 20.669 -3.839 476 1HB SER 63 2HB SER 63 18.470 19.987 -2.347 477 2HB SER 63 1HB SER 63 17.800 21.606 -2.563 478 HG SER 63 HG SER 63 15.822 20.554 -1.544 479 H GLU 64 H GLU 64 18.491 18.463 -4.722 480 HA GLU 64 HA GLU 64 19.854 20.269 -6.439 481 1HB GLU 64 2HB GLU 64 20.965 18.296 -5.501 482 2HB GLU 64 1HB GLU 64 19.873 17.246 -6.395 483 1HG GLU 64 2HG GLU 64 20.789 17.997 -8.491 484 2HG GLU 64 1HG GLU 64 21.798 19.181 -7.665 485 H ALA 65 H ALA 65 17.157 18.136 -6.796 486 HA ALA 65 HA ALA 65 17.066 17.815 -9.561 487 1HB ALA 65 1HB ALA 65 14.690 17.309 -9.260 488 2HB ALA 65 2HB ALA 65 14.758 17.975 -7.627 489 3HB ALA 65 3HB ALA 65 15.686 16.531 -8.029 490 H GLU 66 H GLU 66 16.190 20.546 -7.585 491 HA GLU 66 HA GLU 66 14.527 21.959 -9.337 492 1HB GLU 66 2HB GLU 66 14.965 22.590 -6.971 493 2HB GLU 66 1HB GLU 66 16.590 23.081 -7.425 494 1HG GLU 66 2HG GLU 66 15.286 25.046 -7.272 495 2HG GLU 66 1HG GLU 66 15.560 24.739 -8.986 496 H GLN 67 H GLN 67 18.041 22.000 -8.974 497 HA GLN 67 HA GLN 67 18.420 23.860 -11.130 498 1HB GLN 67 2HB GLN 67 20.422 22.185 -9.601 499 2HB GLN 67 1HB GLN 67 20.817 23.511 -10.691 500 1HG GLN 67 2HG GLN 67 19.771 25.098 -9.243 501 2HG GLN 67 1HG GLN 67 19.130 23.815 -8.221 502 1HE2 GLN 67 1HE2 GLN 67 20.100 24.605 -6.392 503 2HE2 GLN 67 2HE2 GLN 67 21.805 24.523 -6.119 504 H ILE 68 H ILE 68 18.549 20.405 -10.676 505 HA ILE 68 HA ILE 68 19.867 19.755 -13.090 506 HB ILE 68 HB ILE 68 17.966 18.118 -11.405 507 1HG1 ILE 68 2HG1 ILE 68 20.005 18.763 -10.235 508 2HG1 ILE 68 1HG1 ILE 68 20.034 17.041 -10.597 509 1HG2 ILE 68 1HG2 ILE 68 19.772 17.232 -13.652 510 2HG2 ILE 68 2HG2 ILE 68 18.009 17.244 -13.670 511 3HG2 ILE 68 3HG2 ILE 68 18.871 16.158 -12.581 512 1HD1 ILE 68 1HD1 ILE 68 22.201 18.070 -10.962 513 2HD1 ILE 68 2HD1 ILE 68 21.487 19.187 -12.127 514 3HD1 ILE 68 3HD1 ILE 68 21.528 17.457 -12.472 515 H ARG 69 H ARG 69 16.464 20.201 -12.249 516 HA ARG 69 HA ARG 69 15.264 19.131 -14.512 517 1HB ARG 69 2HB ARG 69 13.989 19.725 -12.558 518 2HB ARG 69 1HB ARG 69 14.393 21.422 -12.756 519 1HG ARG 69 2HG ARG 69 12.956 21.680 -14.567 520 2HG ARG 69 1HG ARG 69 12.881 19.942 -14.869 521 1HD ARG 69 2HD ARG 69 11.793 21.274 -12.395 522 2HD ARG 69 1HD ARG 69 10.824 20.904 -13.823 523 HE ARG 69 HE ARG 69 11.873 18.506 -13.283 524 1HH1 ARG 69 1HH1 ARG 69 10.413 20.851 -11.116 525 2HH1 ARG 69 2HH1 ARG 69 9.735 19.643 -10.073 526 1HH2 ARG 69 1HH2 ARG 69 11.026 16.938 -11.927 527 2HH2 ARG 69 2HH2 ARG 69 10.087 17.389 -10.535 528 H GLN 70 H GLN 70 16.869 22.207 -14.142 529 HA GLN 70 HA GLN 70 15.866 23.542 -16.387 530 1HB GLN 70 2HB GLN 70 17.257 24.512 -14.553 531 2HB GLN 70 1HB GLN 70 18.644 23.689 -15.232 532 1HG GLN 70 2HG GLN 70 18.353 24.933 -17.311 533 2HG GLN 70 1HG GLN 70 17.001 25.801 -16.587 534 1HE2 GLN 70 1HE2 GLN 70 20.456 25.377 -16.612 535 2HE2 GLN 70 2HE2 GLN 70 20.841 26.784 -15.675 536 H LEU 71 H LEU 71 18.754 21.560 -15.970 537 HA LEU 71 HA LEU 71 19.397 21.635 -18.786 538 1HB LEU 71 2HB LEU 71 21.061 21.621 -16.869 539 2HB LEU 71 1HB LEU 71 20.659 19.933 -16.635 540 HG LEU 71 HG LEU 71 21.662 20.879 -19.305 541 1HD1 LEU 71 1HD1 LEU 71 23.259 21.719 -17.659 542 2HD1 LEU 71 2HD1 LEU 71 23.941 20.375 -18.575 543 3HD1 LEU 71 3HD1 LEU 71 23.362 20.116 -16.929 544 1HD2 LEU 71 1HD2 LEU 71 22.487 18.594 -19.454 545 2HD2 LEU 71 2HD2 LEU 71 20.759 18.602 -19.104 546 3HD2 LEU 71 3HD2 LEU 71 21.916 18.263 -17.817 547 H LYS 72 H LYS 72 17.932 19.402 -16.526 548 HA LYS 72 HA LYS 72 18.122 17.088 -18.174 549 1HB LYS 72 2HB LYS 72 17.868 17.168 -15.649 550 2HB LYS 72 1HB LYS 72 16.178 17.565 -15.911 551 1HG LYS 72 2HG LYS 72 17.257 15.122 -17.207 552 2HG LYS 72 1HG LYS 72 16.988 15.099 -15.463 553 1HD LYS 72 2HD LYS 72 14.659 15.793 -15.833 554 2HD LYS 72 1HD LYS 72 14.938 15.767 -17.575 555 1HE LYS 72 2HE LYS 72 15.425 13.389 -17.480 556 2HE LYS 72 1HE LYS 72 15.220 13.399 -15.730 557 1HZ LYS 72 1HZ LYS 72 13.252 12.575 -16.880 558 2HZ LYS 72 2HZ LYS 72 13.099 14.045 -17.709 559 3HZ LYS 72 3HZ LYS 72 12.907 13.998 -16.023 560 H LYS 73 H LYS 73 15.940 19.755 -18.004 561 HA LYS 73 HA LYS 73 14.297 20.446 -19.403 562 1HB LYS 73 2HB LYS 73 15.030 17.968 -20.961 563 2HB LYS 73 1HB LYS 73 13.834 19.137 -21.499 564 1HG LYS 73 2HG LYS 73 15.517 20.862 -21.627 565 2HG LYS 73 1HG LYS 73 16.732 19.766 -20.963 566 1HD LYS 73 2HD LYS 73 16.906 19.972 -23.413 567 2HD LYS 73 1HD LYS 73 16.528 18.326 -22.907 568 1HE LYS 73 2HE LYS 73 14.154 18.742 -23.398 569 2HE LYS 73 1HE LYS 73 14.567 20.363 -23.953 570 1HZ LYS 73 1HZ LYS 73 14.332 18.806 -25.790 571 2HZ LYS 73 2HZ LYS 73 15.560 17.828 -25.145 572 3HZ LYS 73 3HZ LYS 73 15.922 19.391 -25.691 573 H GLU 74 H GLU 74 12.700 20.253 -17.835 574 HA GLU 74 HA GLU 74 10.792 18.110 -18.433 575 1HB GLU 74 2HB GLU 74 11.444 19.018 -15.618 576 2HB GLU 74 1HB GLU 74 10.224 17.835 -16.067 577 1HG GLU 74 2HG GLU 74 12.093 16.465 -17.055 578 2HG GLU 74 1HG GLU 74 13.207 17.579 -16.264 579 H ASN 75 H ASN 75 9.051 19.064 -19.175 580 HA ASN 75 HA ASN 75 7.665 21.176 -17.924 581 1HB ASN 75 2HB ASN 75 9.612 22.484 -18.759 582 2HB ASN 75 1HB ASN 75 9.221 21.979 -20.396 583 1HD2 ASN 75 1HD2 ASN 75 8.330 24.006 -17.734 584 2HD2 ASN 75 2HD2 ASN 75 7.177 24.969 -18.590 585 H ALA 76 H ALA 76 8.424 19.395 -20.801 586 HA ALA 76 HA ALA 76 6.274 19.946 -22.434 587 1HB ALA 76 1HB ALA 76 6.734 17.820 -23.519 588 2HB ALA 76 2HB ALA 76 7.714 17.318 -22.142 589 3HB ALA 76 3HB ALA 76 8.228 18.678 -23.143 590 H LEU 77 H LEU 77 6.286 18.102 -19.520 591 HA LEU 77 HA LEU 77 4.117 16.409 -19.924 592 1HB LEU 77 2HB LEU 77 5.041 17.792 -17.406 593 2HB LEU 77 1HB LEU 77 3.890 16.476 -17.454 594 HG LEU 77 HG LEU 77 6.768 16.296 -18.343 595 1HD1 LEU 77 1HD1 LEU 77 7.076 14.917 -16.346 596 2HD1 LEU 77 2HD1 LEU 77 5.410 15.243 -15.864 597 3HD1 LEU 77 3HD1 LEU 77 6.582 16.559 -15.932 598 1HD2 LEU 77 1HD2 LEU 77 5.310 14.771 -19.575 599 2HD2 LEU 77 2HD2 LEU 77 4.659 14.155 -18.057 600 3HD2 LEU 77 3HD2 LEU 77 6.355 13.889 -18.462 601 H GLN 78 H GLN 78 4.179 19.672 -18.484 602 HA GLN 78 HA GLN 78 1.294 19.777 -18.436 603 1HB GLN 78 2HB GLN 78 1.631 22.064 -17.525 604 2HB GLN 78 1HB GLN 78 2.473 20.825 -16.610 605 1HG GLN 78 2HG GLN 78 4.560 21.422 -17.744 606 2HG GLN 78 1HG GLN 78 3.704 22.692 -18.619 607 1HE2 GLN 78 1HE2 GLN 78 2.995 24.514 -17.500 608 2HE2 GLN 78 2HE2 GLN 78 3.635 24.943 -15.950 609 H ARG 79 H ARG 79 3.885 20.934 -20.471 610 HA ARG 79 HA ARG 79 2.394 22.885 -21.892 611 1HB ARG 79 2HB ARG 79 4.879 22.771 -21.848 612 2HB ARG 79 1HB ARG 79 4.803 21.319 -22.831 613 1HG ARG 79 2HG ARG 79 5.328 23.209 -24.223 614 2HG ARG 79 1HG ARG 79 3.718 22.611 -24.623 615 1HD ARG 79 2HD ARG 79 2.780 24.387 -23.130 616 2HD ARG 79 1HD ARG 79 4.409 25.039 -22.974 617 HE ARG 79 HE ARG 79 3.792 24.804 -25.704 618 1HH1 ARG 79 1HH1 ARG 79 2.901 26.700 -22.895 619 2HH1 ARG 79 2HH1 ARG 79 2.375 28.074 -23.829 620 1HH2 ARG 79 1HH2 ARG 79 3.087 26.592 -26.939 621 2HH2 ARG 79 2HH2 ARG 79 2.512 28.024 -26.133 622 H ALA 80 H ALA 80 2.514 19.488 -22.003 623 HA ALA 80 HA ALA 80 1.815 18.947 -24.659 624 1HB ALA 80 1HB ALA 80 2.591 17.238 -23.082 625 2HB ALA 80 2HB ALA 80 1.082 16.774 -23.867 626 3HB ALA 80 3HB ALA 80 1.065 17.365 -22.205 627 H ARG 81 H ARG 81 -0.050 20.268 -22.101 628 HA ARG 81 HA ARG 81 -2.629 19.516 -23.065 629 1HB ARG 81 2HB ARG 81 -1.556 21.321 -20.984 630 2HB ARG 81 1HB ARG 81 -3.156 21.705 -21.599 631 1HG ARG 81 2HG ARG 81 -3.781 19.305 -21.093 632 2HG ARG 81 1HG ARG 81 -2.248 19.193 -20.226 633 1HD ARG 81 2HD ARG 81 -2.891 20.815 -18.655 634 2HD ARG 81 1HD ARG 81 -4.240 21.361 -19.650 635 HE ARG 81 HE ARG 81 -4.144 18.843 -18.112 636 1HH1 ARG 81 1HH1 ARG 81 -5.926 21.259 -19.923 637 2HH1 ARG 81 2HH1 ARG 81 -7.483 20.741 -19.342 638 1HH2 ARG 81 1HH2 ARG 81 -6.203 18.128 -17.364 639 2HH2 ARG 81 2HH2 ARG 81 -7.637 18.936 -17.919 640 H THR 82 H THR 82 -0.364 21.695 -24.217 641 HA THR 82 HA THR 82 -2.269 23.621 -25.257 642 HB THR 82 HB THR 82 0.616 23.513 -26.090 643 HG1 THR 82 1HG THR 82 0.906 23.407 -23.932 644 1HG2 THR 82 1HG2 THR 82 -1.311 25.767 -25.506 645 2HG2 THR 82 2HG2 THR 82 -0.820 25.208 -27.104 646 3HG2 THR 82 3HG2 THR 82 0.361 25.965 -26.036 647 H ARG 83 H ARG 83 -1.652 20.580 -26.108 648 HA ARG 83 HA ARG 83 -1.367 20.975 -28.972 649 1HB ARG 83 2HB ARG 83 -1.546 18.495 -27.266 650 2HB ARG 83 1HB ARG 83 -1.510 18.453 -29.021 651 1HG ARG 83 2HG ARG 83 0.673 19.684 -28.909 652 2HG ARG 83 1HG ARG 83 0.644 19.423 -27.164 653 1HD ARG 83 2HD ARG 83 0.537 17.250 -29.254 654 2HD ARG 83 1HD ARG 83 1.981 17.729 -28.363 655 HE ARG 83 HE ARG 83 0.320 17.127 -26.368 656 1HH1 ARG 83 1HH1 ARG 83 0.938 15.415 -29.361 657 2HH1 ARG 83 2HH1 ARG 83 0.711 13.837 -28.658 658 1HH2 ARG 83 1HH2 ARG 83 0.039 15.036 -25.438 659 2HH2 ARG 83 2HH2 ARG 83 0.244 13.626 -26.428 660 H HIS 84 H HIS 84 -2.875 20.217 -30.484 661 HA HIS 84 HA HIS 84 -5.626 19.980 -29.448 662 1HB HIS 84 2HB HIS 84 -4.624 21.108 -32.079 663 2HB HIS 84 1HB HIS 84 -6.323 20.823 -31.719 664 HD1 HIS 84 1HD HIS 84 -7.541 22.577 -30.359 665 HD2 HIS 84 2HD HIS 84 -3.431 23.221 -30.543 666 HE1 HIS 84 1HE HIS 84 -7.164 24.865 -29.386 667 HE2 HIS 84 2HE HIS 84 -4.665 25.203 -29.421 668 HA PRO 85 HA PRO 85 -6.074 15.914 -30.996 669 1HB PRO 85 2HB PRO 85 -8.362 16.757 -32.690 670 2HB PRO 85 1HB PRO 85 -8.281 15.512 -31.440 671 1HG PRO 85 2HG PRO 85 -9.506 17.838 -30.990 672 2HG PRO 85 1HG PRO 85 -8.565 17.030 -29.722 673 1HD PRO 85 2HD PRO 85 -7.852 19.397 -31.398 674 2HD PRO 85 1HD PRO 85 -7.477 19.054 -29.700 675 H ALA 86 H ALA 86 -6.394 14.575 -32.985 676 HA ALA 86 HA ALA 86 -4.628 15.670 -35.053 677 1HB ALA 86 1HB ALA 86 -5.344 12.794 -34.498 678 2HB ALA 86 2HB ALA 86 -3.905 13.618 -33.897 679 3HB ALA 86 3HB ALA 86 -4.121 13.370 -35.630 680 H GLU 87 H GLU 87 -7.518 16.113 -34.809 681 HA GLU 87 HA GLU 87 -8.991 14.691 -36.720 682 1HB GLU 87 2HB GLU 87 -10.442 16.795 -36.701 683 2HB GLU 87 1HB GLU 87 -10.211 15.975 -35.163 684 1HG GLU 87 2HG GLU 87 -8.477 17.600 -34.570 685 2HG GLU 87 1HG GLU 87 -8.746 18.430 -36.102 686 H SER 88 H SER 88 -7.143 17.709 -36.992 687 HA SER 88 HA SER 88 -7.748 18.088 -39.744 688 1HB SER 88 2HB SER 88 -5.427 19.243 -38.191 689 2HB SER 88 1HB SER 88 -6.197 19.918 -39.629 690 HG SER 88 HG SER 88 -8.180 19.933 -38.211 691 H CYS 89 H CYS 89 -5.449 16.176 -38.033 692 HA CYS 89 HA CYS 89 -3.482 16.066 -40.097 693 1HB CYS 89 2HB CYS 89 -2.991 15.707 -37.669 694 2HB CYS 89 1HB CYS 89 -3.854 14.177 -37.771 695 HG CYS 89 HG CYS 89 -0.849 14.213 -37.851 696 H LEU 90 H LEU 90 -6.236 14.099 -39.164 697 HA LEU 90 HA LEU 90 -5.591 11.961 -40.954 698 1HB LEU 90 2HB LEU 90 -7.872 11.130 -40.454 699 2HB LEU 90 1HB LEU 90 -6.889 11.416 -39.035 700 HG LEU 90 HG LEU 90 -8.153 13.709 -38.955 701 1HD1 LEU 90 1HD1 LEU 90 -10.118 12.017 -40.494 702 2HD1 LEU 90 2HD1 LEU 90 -9.280 13.436 -41.119 703 3HD1 LEU 90 3HD1 LEU 90 -10.426 13.605 -39.790 704 1HD2 LEU 90 1HD2 LEU 90 -9.861 12.680 -37.542 705 2HD2 LEU 90 2HD2 LEU 90 -8.276 11.962 -37.258 706 3HD2 LEU 90 3HD2 LEU 90 -9.474 11.098 -38.222 707 H GLU 91 H GLU 91 -7.118 14.991 -41.258 708 HA GLU 91 HA GLU 91 -8.657 14.508 -43.584 709 1HB GLU 91 2HB GLU 91 -7.431 17.023 -42.454 710 2HB GLU 91 1HB GLU 91 -8.475 17.009 -43.868 711 1HG GLU 91 2HG GLU 91 -9.296 15.982 -41.162 712 2HG GLU 91 1HG GLU 91 -9.609 17.617 -41.742 713 H HIS 92 H HIS 92 -5.280 15.136 -43.015 714 HA HIS 92 HA HIS 92 -4.756 15.840 -45.771 715 1HB HIS 92 2HB HIS 92 -3.038 15.593 -43.318 716 2HB HIS 92 1HB HIS 92 -2.316 15.756 -44.918 717 HD1 HIS 92 1HD HIS 92 -3.945 17.703 -42.229 718 HD2 HIS 92 2HD HIS 92 -2.904 18.233 -46.222 719 HE1 HIS 92 1HE HIS 92 -4.111 20.176 -42.652 720 HE2 HIS 92 2HE HIS 92 -3.672 20.442 -45.120 721 H HIS 93 H HIS 93 -5.597 13.891 -46.660 722 HA HIS 93 HA HIS 93 -3.458 11.978 -47.103 723 1HB HIS 93 2HB HIS 93 -6.191 11.204 -46.069 724 2HB HIS 93 1HB HIS 93 -5.188 10.081 -46.978 725 HD1 HIS 93 1HD HIS 93 -5.877 11.169 -43.615 726 HD2 HIS 93 2HD HIS 93 -2.572 9.659 -45.637 727 HE1 HIS 93 1HE HIS 93 -4.320 10.323 -41.830 728 HE2 HIS 93 2HE HIS 93 -2.404 9.257 -43.085 729 H HIS 94 H HIS 94 -3.645 10.930 -49.139 730 HA HIS 94 HA HIS 94 -4.157 10.777 -51.343 731 1HB HIS 94 2HB HIS 94 -6.825 11.297 -50.137 732 2HB HIS 94 1HB HIS 94 -6.674 11.554 -51.871 733 HD1 HIS 94 1HD HIS 94 -8.362 9.227 -50.472 734 HD2 HIS 94 2HD HIS 94 -4.593 8.870 -52.207 735 HE1 HIS 94 1HE HIS 94 -8.140 6.813 -51.138 736 HE2 HIS 94 2HE HIS 94 -5.934 6.663 -52.353 737 H HIS 95 H HIS 95 -5.607 12.338 -53.078 738 HA HIS 95 HA HIS 95 -4.514 15.037 -52.633 739 1HB HIS 95 2HB HIS 95 -3.981 15.193 -55.036 740 2HB HIS 95 1HB HIS 95 -3.084 13.897 -54.256 741 HD1 HIS 95 1HD HIS 95 -5.622 14.563 -56.880 742 HD2 HIS 95 2HD HIS 95 -3.822 11.284 -55.071 743 HE1 HIS 95 1HE HIS 95 -6.175 12.599 -58.345 744 HE2 HIS 95 2HE HIS 95 -4.980 10.642 -57.299 745 H HIS 96 H HIS 96 -5.764 16.758 -53.341 746 HA HIS 96 HA HIS 96 -8.574 16.050 -53.737 747 1HB HIS 96 2HB HIS 96 -7.897 17.656 -51.928 748 2HB HIS 96 1HB HIS 96 -7.389 18.776 -53.186 749 HD1 HIS 96 1HD HIS 96 -9.221 20.104 -54.396 750 HD2 HIS 96 2HD HIS 96 -10.703 17.293 -51.712 751 HE1 HIS 96 1HE HIS 96 -11.675 20.599 -54.182 752 HE2 HIS 96 2HE HIS 96 -12.576 18.818 -52.639 753 H HIS 97 H HIS 97 -9.633 16.352 -55.572 754 HA HIS 97 HA HIS 97 -8.279 17.750 -57.770 755 1HB HIS 97 2HB HIS 97 -9.042 15.448 -58.227 756 2HB HIS 97 1HB HIS 97 -10.687 15.908 -57.807 757 HD1 HIS 97 1HD HIS 97 -12.096 16.978 -59.609 758 HD2 HIS 97 2HD HIS 97 -8.101 16.571 -60.696 759 HE1 HIS 97 1HE HIS 97 -11.999 17.524 -62.065 760 HE2 HIS 97 2HE HIS 97 -9.595 17.145 -62.729 Start of MODEL 14 1 1H MET 1 1HT MET 1 -7.598 12.469 -6.652 2 2H MET 1 2HT MET 1 -7.658 14.012 -7.346 3 3H MET 1 3HT MET 1 -8.142 13.791 -5.739 4 HA MET 1 HA MET 1 -5.980 14.797 -5.797 5 1HB MET 1 2HB MET 1 -5.841 11.881 -4.986 6 2HB MET 1 1HB MET 1 -4.735 13.140 -4.458 7 1HG MET 1 2HG MET 1 -6.219 12.808 -2.679 8 2HG MET 1 1HG MET 1 -6.735 14.304 -3.454 9 1HE MET 1 1HE MET 1 -7.498 10.522 -2.842 10 2HE MET 1 2HE MET 1 -7.331 10.563 -4.598 11 3HE MET 1 3HE MET 1 -8.907 10.256 -3.870 12 HA PRO 2 HA PRO 2 -3.526 13.580 -9.320 13 1HB PRO 2 2HB PRO 2 -1.484 15.297 -8.973 14 2HB PRO 2 1HB PRO 2 -3.073 15.836 -9.523 15 1HG PRO 2 2HG PRO 2 -1.853 16.001 -6.800 16 2HG PRO 2 1HG PRO 2 -2.846 17.190 -7.662 17 1HD PRO 2 2HD PRO 2 -3.799 15.493 -5.718 18 2HD PRO 2 1HD PRO 2 -4.799 16.221 -6.992 19 H THR 3 H THR 3 -2.735 13.227 -6.057 20 HA THR 3 HA THR 3 -0.146 12.000 -6.565 21 HB THR 3 HB THR 3 -1.278 12.071 -3.855 22 HG1 THR 3 1HG THR 3 -0.298 14.421 -5.168 23 1HG2 THR 3 1HG2 THR 3 1.429 12.774 -4.981 24 2HG2 THR 3 2HG2 THR 3 0.975 11.217 -4.289 25 3HG2 THR 3 3HG2 THR 3 1.023 12.653 -3.267 26 H LYS 4 H LYS 4 0.138 9.919 -6.609 27 HA LYS 4 HA LYS 4 -1.629 8.086 -5.193 28 1HB LYS 4 2HB LYS 4 -2.412 8.389 -7.631 29 2HB LYS 4 1HB LYS 4 -0.922 7.588 -8.094 30 1HG LYS 4 2HG LYS 4 -2.962 6.334 -6.269 31 2HG LYS 4 1HG LYS 4 -2.987 6.152 -8.022 32 1HD LYS 4 2HD LYS 4 -0.530 5.369 -7.715 33 2HD LYS 4 1HD LYS 4 -1.006 5.107 -6.037 34 1HE LYS 4 2HE LYS 4 -2.357 3.921 -8.459 35 2HE LYS 4 1HE LYS 4 -1.234 3.073 -7.400 36 1HZ LYS 4 1HZ LYS 4 -3.504 2.531 -6.849 37 2HZ LYS 4 2HZ LYS 4 -3.897 4.161 -6.622 38 3HZ LYS 4 3HZ LYS 4 -2.808 3.394 -5.569 39 H THR 5 H THR 5 0.100 7.740 -3.813 40 HA THR 5 HA THR 5 2.667 7.011 -5.051 41 HB THR 5 HB THR 5 2.429 7.830 -2.183 42 HG1 THR 5 1HG THR 5 2.467 9.589 -4.443 43 1HG2 THR 5 1HG2 THR 5 4.538 8.282 -4.301 44 2HG2 THR 5 2HG2 THR 5 4.584 7.041 -3.051 45 3HG2 THR 5 3HG2 THR 5 4.663 8.745 -2.602 46 H TYR 6 H TYR 6 3.981 5.456 -3.961 47 HA TYR 6 HA TYR 6 2.642 3.668 -2.092 48 1HB TYR 6 2HB TYR 6 3.850 1.774 -3.468 49 2HB TYR 6 1HB TYR 6 2.266 2.358 -3.959 50 HD1 TYR 6 1HD TYR 6 1.946 3.358 -6.083 51 HD2 TYR 6 2HD TYR 6 5.891 2.589 -4.697 52 HE1 TYR 6 1HE TYR 6 2.827 3.853 -8.324 53 HE2 TYR 6 2HE TYR 6 6.782 3.085 -6.931 54 HH TYR 6 HH TYR 6 4.916 4.556 -9.369 55 H SER 7 H SER 7 3.895 3.648 -0.347 56 HA SER 7 HA SER 7 6.616 4.492 -0.427 57 1HB SER 7 2HB SER 7 6.602 3.781 2.002 58 2HB SER 7 1HB SER 7 5.368 4.961 1.557 59 HG SER 7 HG SER 7 3.941 3.598 2.217 60 H GLU 8 H GLU 8 8.482 3.260 0.204 61 HA GLU 8 HA GLU 8 8.725 0.802 -1.122 62 1HB GLU 8 2HB GLU 8 10.921 0.646 0.141 63 2HB GLU 8 1HB GLU 8 10.686 2.072 -0.859 64 1HG GLU 8 2HG GLU 8 10.041 3.337 1.155 65 2HG GLU 8 1HG GLU 8 10.392 1.908 2.131 66 H GLU 9 H GLU 9 7.963 1.545 2.211 67 HA GLU 9 HA GLU 9 8.243 -1.091 3.225 68 1HB GLU 9 2HB GLU 9 8.084 1.028 4.591 69 2HB GLU 9 1HB GLU 9 6.368 1.061 4.221 70 1HG GLU 9 2HG GLU 9 6.732 0.133 6.415 71 2HG GLU 9 1HG GLU 9 6.087 -1.099 5.333 72 H PHE 10 H PHE 10 5.645 0.676 1.654 73 HA PHE 10 HA PHE 10 3.626 -1.287 1.971 74 1HB PHE 10 2HB PHE 10 3.145 1.055 1.358 75 2HB PHE 10 1HB PHE 10 3.942 0.809 -0.190 76 HD1 PHE 10 1HD PHE 10 2.728 0.076 -2.027 77 HD2 PHE 10 2HD PHE 10 1.104 -0.403 1.878 78 HE1 PHE 10 1HE PHE 10 0.590 -0.640 -3.006 79 HE2 PHE 10 2HE PHE 10 -1.034 -1.128 0.901 80 HZ PHE 10 HZ PHE 10 -1.292 -1.245 -1.544 81 H LYS 11 H LYS 11 6.028 -0.664 -0.548 82 HA LYS 11 HA LYS 11 5.312 -2.695 -2.343 83 1HB LYS 11 2HB LYS 11 8.119 -1.762 -1.717 84 2HB LYS 11 1HB LYS 11 7.561 -2.505 -3.208 85 1HG LYS 11 2HG LYS 11 6.268 -0.570 -3.768 86 2HG LYS 11 1HG LYS 11 6.592 0.155 -2.190 87 1HD LYS 11 2HD LYS 11 9.031 0.114 -2.779 88 2HD LYS 11 1HD LYS 11 8.560 -0.378 -4.407 89 1HE LYS 11 2HE LYS 11 7.302 1.663 -4.698 90 2HE LYS 11 1HE LYS 11 7.638 2.141 -3.032 91 1HZ LYS 11 1HZ LYS 11 9.125 3.313 -4.439 92 2HZ LYS 11 2HZ LYS 11 9.577 1.909 -5.265 93 3HZ LYS 11 3HZ LYS 11 10.043 2.126 -3.650 94 H ARG 12 H ARG 12 7.363 -2.685 0.509 95 HA ARG 12 HA ARG 12 8.336 -5.324 0.338 96 1HB ARG 12 2HB ARG 12 9.330 -3.568 1.740 97 2HB ARG 12 1HB ARG 12 7.893 -3.552 2.747 98 1HG ARG 12 2HG ARG 12 8.361 -5.826 3.478 99 2HG ARG 12 1HG ARG 12 9.788 -5.872 2.435 100 1HD ARG 12 2HD ARG 12 10.792 -4.054 3.662 101 2HD ARG 12 1HD ARG 12 9.345 -3.877 4.648 102 HE ARG 12 HE ARG 12 10.803 -6.424 4.737 103 1HH1 ARG 12 1HH1 ARG 12 9.779 -3.442 6.273 104 2HH1 ARG 12 2HH1 ARG 12 10.346 -3.912 7.853 105 1HH2 ARG 12 1HH2 ARG 12 11.533 -7.047 6.831 106 2HH2 ARG 12 2HH2 ARG 12 11.349 -5.946 8.164 107 H ASP 13 H ASP 13 5.442 -3.927 1.787 108 HA ASP 13 HA ASP 13 4.528 -6.331 3.009 109 1HB ASP 13 2HB ASP 13 3.731 -4.125 3.727 110 2HB ASP 13 1HB ASP 13 2.974 -3.882 2.156 111 H ALA 14 H ALA 14 4.101 -4.846 -0.136 112 HA ALA 14 HA ALA 14 2.113 -6.558 -1.142 113 1HB ALA 14 1HB ALA 14 4.317 -5.191 -2.681 114 2HB ALA 14 2HB ALA 14 2.788 -4.447 -2.215 115 3HB ALA 14 3HB ALA 14 2.800 -5.806 -3.339 116 H VAL 15 H VAL 15 5.585 -6.923 -0.839 117 HA VAL 15 HA VAL 15 5.862 -9.290 -2.361 118 HB VAL 15 HB VAL 15 7.481 -8.434 0.057 119 1HG1 VAL 15 1HG1 VAL 15 9.239 -9.854 -0.878 120 2HG1 VAL 15 2HG1 VAL 15 8.154 -10.349 -2.177 121 3HG1 VAL 15 3HG1 VAL 15 7.790 -10.791 -0.509 122 1HG2 VAL 15 1HG2 VAL 15 7.931 -7.905 -2.883 123 2HG2 VAL 15 2HG2 VAL 15 9.057 -7.506 -1.585 124 3HG2 VAL 15 3HG2 VAL 15 7.484 -6.711 -1.663 125 H ALA 16 H ALA 16 4.974 -8.649 0.982 126 HA ALA 16 HA ALA 16 4.906 -11.349 1.852 127 1HB ALA 16 1HB ALA 16 3.412 -8.971 2.958 128 2HB ALA 16 2HB ALA 16 5.046 -9.458 3.407 129 3HB ALA 16 3HB ALA 16 3.680 -10.509 3.779 130 H LEU 17 H LEU 17 2.610 -9.232 0.274 131 HA LEU 17 HA LEU 17 0.325 -10.864 0.483 132 1HB LEU 17 2HB LEU 17 1.202 -8.763 -1.474 133 2HB LEU 17 1HB LEU 17 -0.294 -9.639 -1.711 134 HG LEU 17 HG LEU 17 0.306 -8.074 0.799 135 1HD1 LEU 17 1HD1 LEU 17 0.317 -6.565 -1.131 136 2HD1 LEU 17 2HD1 LEU 17 -1.110 -6.317 -0.129 137 3HD1 LEU 17 3HD1 LEU 17 -1.241 -7.208 -1.645 138 1HD2 LEU 17 1HD2 LEU 17 -2.263 -9.132 -0.378 139 2HD2 LEU 17 2HD2 LEU 17 -2.109 -8.212 1.120 140 3HD2 LEU 17 3HD2 LEU 17 -1.400 -9.823 0.995 141 H TYR 18 H TYR 18 3.054 -10.863 -1.753 142 HA TYR 18 HA TYR 18 1.937 -12.817 -3.507 143 1HB TYR 18 2HB TYR 18 3.745 -11.231 -4.186 144 2HB TYR 18 1HB TYR 18 4.859 -12.122 -3.154 145 HD1 TYR 18 1HD TYR 18 5.973 -14.020 -3.971 146 HD2 TYR 18 2HD TYR 18 2.597 -12.511 -6.080 147 HE1 TYR 18 1HE TYR 18 6.426 -15.590 -5.811 148 HE2 TYR 18 2HE TYR 18 3.039 -14.076 -7.923 149 HH TYR 18 HH TYR 18 5.138 -16.691 -7.644 150 H GLU 19 H GLU 19 3.672 -12.942 -0.506 151 HA GLU 19 HA GLU 19 4.472 -15.659 -0.608 152 1HB GLU 19 2HB GLU 19 3.709 -14.017 1.812 153 2HB GLU 19 1HB GLU 19 4.592 -15.533 1.839 154 1HG GLU 19 2HG GLU 19 6.411 -14.449 0.569 155 2HG GLU 19 1HG GLU 19 5.530 -12.924 0.678 156 H ASN 20 H ASN 20 1.461 -14.127 -0.310 157 HA ASN 20 HA ASN 20 0.154 -16.571 0.664 158 1HB ASN 20 2HB ASN 20 -0.675 -13.668 0.694 159 2HB ASN 20 1HB ASN 20 -1.805 -14.974 1.029 160 1HD2 ASN 20 1HD2 ASN 20 0.950 -13.195 2.185 161 2HD2 ASN 20 2HD2 ASN 20 0.928 -13.823 3.801 162 H SER 21 H SER 21 1.128 -15.955 -2.083 163 HA SER 21 HA SER 21 -1.013 -15.216 -3.751 164 1HB SER 21 2HB SER 21 0.389 -16.245 -5.568 165 2HB SER 21 1HB SER 21 1.181 -14.998 -4.609 166 HG SER 21 HG SER 21 2.544 -16.416 -3.854 167 H ASP 22 H ASP 22 -0.352 -18.132 -2.145 168 HA ASP 22 HA ASP 22 -1.598 -20.030 -3.748 169 1HB ASP 22 2HB ASP 22 -0.448 -20.477 -1.565 170 2HB ASP 22 1HB ASP 22 -1.862 -19.823 -0.742 171 H GLY 23 H GLY 23 -2.947 -17.480 -1.794 172 1HA GLY 23 2HA GLY 23 -5.667 -18.339 -2.534 173 2HA GLY 23 1HA GLY 23 -5.275 -17.274 -1.193 174 H ALA 24 H ALA 24 -3.283 -15.971 -3.238 175 HA ALA 24 HA ALA 24 -5.205 -14.505 -4.866 176 1HB ALA 24 1HB ALA 24 -5.214 -13.314 -2.731 177 2HB ALA 24 2HB ALA 24 -4.518 -12.330 -4.017 178 3HB ALA 24 3HB ALA 24 -3.464 -13.110 -2.838 179 H SER 25 H SER 25 -4.340 -14.635 -6.819 180 HA SER 25 HA SER 25 -1.573 -15.123 -7.248 181 1HB SER 25 2HB SER 25 -3.429 -15.968 -8.701 182 2HB SER 25 1HB SER 25 -3.654 -14.325 -9.297 183 HG SER 25 HG SER 25 -1.663 -16.173 -9.859 184 H LEU 26 H LEU 26 -0.377 -13.793 -8.989 185 HA LEU 26 HA LEU 26 0.381 -11.377 -7.836 186 1HB LEU 26 2HB LEU 26 1.807 -12.708 -9.322 187 2HB LEU 26 1HB LEU 26 0.773 -12.312 -10.681 188 HG LEU 26 HG LEU 26 1.386 -9.906 -10.362 189 1HD1 LEU 26 1HD1 LEU 26 3.374 -11.059 -8.415 190 2HD1 LEU 26 2HD1 LEU 26 2.044 -9.964 -8.035 191 3HD1 LEU 26 3HD1 LEU 26 3.391 -9.408 -9.030 192 1HD2 LEU 26 1HD2 LEU 26 3.633 -10.134 -11.331 193 2HD2 LEU 26 2HD2 LEU 26 2.475 -11.245 -12.063 194 3HD2 LEU 26 3HD2 LEU 26 3.640 -11.839 -10.879 195 H GLN 27 H GLN 27 -1.552 -11.897 -10.804 196 HA GLN 27 HA GLN 27 -2.030 -9.172 -11.329 197 1HB GLN 27 2HB GLN 27 -2.436 -10.962 -12.978 198 2HB GLN 27 1HB GLN 27 -3.778 -11.551 -12.007 199 1HG GLN 27 2HG GLN 27 -4.615 -10.250 -13.861 200 2HG GLN 27 1HG GLN 27 -4.943 -9.421 -12.342 201 1HE2 GLN 27 1HE2 GLN 27 -3.902 -7.514 -11.875 202 2HE2 GLN 27 2HE2 GLN 27 -3.027 -6.617 -13.067 203 H GLN 28 H GLN 28 -3.578 -11.456 -9.205 204 HA GLN 28 HA GLN 28 -5.990 -10.032 -8.795 205 1HB GLN 28 2HB GLN 28 -5.278 -12.518 -8.224 206 2HB GLN 28 1HB GLN 28 -4.858 -11.806 -6.672 207 1HG GLN 28 2HG GLN 28 -7.085 -12.711 -6.588 208 2HG GLN 28 1HG GLN 28 -7.149 -10.952 -6.465 209 1HE2 GLN 28 1HE2 GLN 28 -9.275 -10.887 -7.181 210 2HE2 GLN 28 2HE2 GLN 28 -9.696 -11.160 -8.839 211 H ILE 29 H ILE 29 -2.927 -10.182 -7.012 212 HA ILE 29 HA ILE 29 -3.607 -8.436 -4.921 213 HB ILE 29 HB ILE 29 -0.904 -8.913 -6.195 214 1HG1 ILE 29 2HG1 ILE 29 -1.917 -10.952 -5.276 215 2HG1 ILE 29 1HG1 ILE 29 -0.533 -10.448 -4.310 216 1HG2 ILE 29 1HG2 ILE 29 -1.585 -7.648 -3.540 217 2HG2 ILE 29 2HG2 ILE 29 -0.906 -6.826 -4.946 218 3HG2 ILE 29 3HG2 ILE 29 0.037 -8.051 -4.098 219 1HD1 ILE 29 1HD1 ILE 29 -3.433 -10.006 -3.620 220 2HD1 ILE 29 2HD1 ILE 29 -2.051 -9.475 -2.660 221 3HD1 ILE 29 3HD1 ILE 29 -2.349 -11.197 -2.898 222 H ALA 30 H ALA 30 -1.963 -7.780 -8.009 223 HA ALA 30 HA ALA 30 -1.715 -5.007 -7.662 224 1HB ALA 30 1HB ALA 30 -1.970 -6.548 -10.240 225 2HB ALA 30 2HB ALA 30 -0.474 -6.278 -9.347 226 3HB ALA 30 3HB ALA 30 -1.331 -4.913 -10.065 227 H ASN 31 H ASN 31 -4.342 -6.988 -8.802 228 HA ASN 31 HA ASN 31 -5.883 -4.961 -10.029 229 1HB ASN 31 2HB ASN 31 -6.071 -7.566 -10.164 230 2HB ASN 31 1HB ASN 31 -7.108 -7.392 -8.755 231 1HD2 ASN 31 1HD2 ASN 31 -7.761 -8.380 -11.372 232 2HD2 ASN 31 2HD2 ASN 31 -9.011 -7.357 -11.995 233 H ASP 32 H ASP 32 -6.001 -6.420 -6.787 234 HA ASP 32 HA ASP 32 -8.255 -4.898 -5.955 235 1HB ASP 32 2HB ASP 32 -7.511 -7.098 -4.950 236 2HB ASP 32 1HB ASP 32 -6.223 -6.209 -4.146 237 H LEU 33 H LEU 33 -4.773 -4.515 -5.575 238 HA LEU 33 HA LEU 33 -5.022 -2.262 -3.804 239 1HB LEU 33 2HB LEU 33 -2.740 -3.673 -5.126 240 2HB LEU 33 1HB LEU 33 -2.482 -2.102 -4.399 241 HG LEU 33 HG LEU 33 -3.231 -2.997 -2.215 242 1HD1 LEU 33 1HD1 LEU 33 -4.718 -4.762 -2.985 243 2HD1 LEU 33 2HD1 LEU 33 -3.480 -5.416 -1.912 244 3HD1 LEU 33 3HD1 LEU 33 -3.345 -5.643 -3.656 245 1HD2 LEU 33 1HD2 LEU 33 -0.865 -2.981 -2.795 246 2HD2 LEU 33 2HD2 LEU 33 -1.026 -4.581 -3.519 247 3HD2 LEU 33 3HD2 LEU 33 -1.263 -4.369 -1.785 248 H GLY 34 H GLY 34 -5.173 -2.677 -7.158 249 1HA GLY 34 2HA GLY 34 -5.467 -1.136 -8.844 250 2HA GLY 34 1HA GLY 34 -5.498 0.117 -7.610 251 H ILE 35 H ILE 35 -2.984 -2.200 -8.549 252 HA ILE 35 HA ILE 35 -1.244 0.056 -9.266 253 HB ILE 35 HB ILE 35 0.677 -1.253 -8.330 254 1HG1 ILE 35 2HG1 ILE 35 -1.518 -2.847 -6.987 255 2HG1 ILE 35 1HG1 ILE 35 -0.445 -3.448 -8.248 256 1HG2 ILE 35 1HG2 ILE 35 -0.221 0.663 -7.152 257 2HG2 ILE 35 2HG2 ILE 35 0.273 -0.579 -6.002 258 3HG2 ILE 35 3HG2 ILE 35 -1.435 -0.355 -6.377 259 1HD1 ILE 35 1HD1 ILE 35 0.268 -4.209 -6.061 260 2HD1 ILE 35 2HD1 ILE 35 0.385 -2.540 -5.498 261 3HD1 ILE 35 3HD1 ILE 35 1.468 -3.125 -6.762 262 H ASN 36 H ASN 36 0.762 -0.835 -10.486 263 HA ASN 36 HA ASN 36 -0.253 -2.264 -12.746 264 1HB ASN 36 2HB ASN 36 1.412 -0.352 -12.779 265 2HB ASN 36 1HB ASN 36 2.616 -1.507 -12.227 266 1HD2 ASN 36 1HD2 ASN 36 0.580 -0.507 -14.829 267 2HD2 ASN 36 2HD2 ASN 36 1.335 -1.460 -16.054 268 H ARG 37 H ARG 37 0.308 -4.255 -13.496 269 HA ARG 37 HA ARG 37 0.929 -6.246 -11.576 270 1HB ARG 37 2HB ARG 37 -0.487 -6.651 -13.551 271 2HB ARG 37 1HB ARG 37 0.911 -6.423 -14.592 272 1HG ARG 37 2HG ARG 37 1.981 -8.373 -13.509 273 2HG ARG 37 1HG ARG 37 0.495 -8.627 -12.586 274 1HD ARG 37 2HD ARG 37 0.521 -10.071 -14.536 275 2HD ARG 37 1HD ARG 37 -0.753 -8.860 -14.686 276 HE ARG 37 HE ARG 37 1.862 -8.625 -16.056 277 1HH1 ARG 37 1HH1 ARG 37 -1.652 -8.394 -16.050 278 2HH1 ARG 37 2HH1 ARG 37 -1.743 -7.818 -17.690 279 1HH2 ARG 37 1HH2 ARG 37 1.732 -7.846 -18.206 280 2HH2 ARG 37 2HH2 ARG 37 0.181 -7.488 -18.904 281 H VAL 38 H VAL 38 2.787 -4.615 -14.086 282 HA VAL 38 HA VAL 38 5.052 -6.368 -13.886 283 HB VAL 38 HB VAL 38 4.923 -3.598 -15.100 284 1HG1 VAL 38 1HG1 VAL 38 6.870 -5.861 -15.566 285 2HG1 VAL 38 2HG1 VAL 38 7.209 -4.376 -14.678 286 3HG1 VAL 38 3HG1 VAL 38 6.864 -4.312 -16.407 287 1HG2 VAL 38 1HG2 VAL 38 4.601 -4.765 -17.236 288 2HG2 VAL 38 2HG2 VAL 38 3.266 -5.043 -16.117 289 3HG2 VAL 38 3HG2 VAL 38 4.482 -6.295 -16.370 290 H THR 39 H THR 39 4.250 -3.148 -12.672 291 HA THR 39 HA THR 39 6.708 -2.596 -11.445 292 HB THR 39 HB THR 39 4.026 -1.653 -10.434 293 HG1 THR 39 1HG THR 39 5.576 -0.703 -12.639 294 1HG2 THR 39 1HG2 THR 39 5.988 -1.050 -9.080 295 2HG2 THR 39 2HG2 THR 39 5.276 0.368 -9.852 296 3HG2 THR 39 3HG2 THR 39 6.750 -0.347 -10.505 297 H LEU 40 H LEU 40 3.794 -4.204 -10.216 298 HA LEU 40 HA LEU 40 4.659 -4.618 -7.579 299 1HB LEU 40 2HB LEU 40 2.341 -4.907 -8.267 300 2HB LEU 40 1HB LEU 40 2.793 -6.237 -9.313 301 HG LEU 40 HG LEU 40 3.444 -7.563 -7.340 302 1HD1 LEU 40 1HD1 LEU 40 2.347 -5.237 -5.768 303 2HD1 LEU 40 2HD1 LEU 40 4.033 -5.748 -5.832 304 3HD1 LEU 40 3HD1 LEU 40 2.820 -6.801 -5.104 305 1HD2 LEU 40 1HD2 LEU 40 0.636 -6.470 -7.215 306 2HD2 LEU 40 2HD2 LEU 40 1.190 -7.992 -6.518 307 3HD2 LEU 40 3HD2 LEU 40 1.195 -7.771 -8.267 308 H LYS 41 H LYS 41 4.914 -6.639 -10.470 309 HA LYS 41 HA LYS 41 6.202 -8.860 -9.390 310 1HB LYS 41 2HB LYS 41 5.239 -8.712 -11.658 311 2HB LYS 41 1HB LYS 41 6.529 -7.626 -12.131 312 1HG LYS 41 2HG LYS 41 7.470 -10.160 -11.024 313 2HG LYS 41 1HG LYS 41 6.522 -10.323 -12.504 314 1HD LYS 41 2HD LYS 41 7.986 -8.682 -13.602 315 2HD LYS 41 1HD LYS 41 8.945 -8.559 -12.125 316 1HE LYS 41 2HE LYS 41 9.563 -10.894 -12.301 317 2HE LYS 41 1HE LYS 41 8.530 -11.086 -13.718 318 1HZ LYS 41 1HZ LYS 41 10.908 -10.800 -14.261 319 2HZ LYS 41 2HZ LYS 41 10.857 -9.242 -13.586 320 3HZ LYS 41 3HZ LYS 41 9.922 -9.601 -14.951 321 H ASN 42 H ASN 42 7.522 -5.891 -10.751 322 HA ASN 42 HA ASN 42 10.249 -6.473 -10.490 323 1HB ASN 42 2HB ASN 42 8.689 -3.916 -10.626 324 2HB ASN 42 1HB ASN 42 10.418 -3.868 -10.308 325 1HD2 ASN 42 1HD2 ASN 42 10.725 -2.763 -12.240 326 2HD2 ASN 42 2HD2 ASN 42 10.679 -3.571 -13.772 327 H TRP 43 H TRP 43 7.994 -5.029 -8.162 328 HA TRP 43 HA TRP 43 9.879 -4.260 -6.235 329 1HB TRP 43 2HB TRP 43 7.015 -5.148 -5.862 330 2HB TRP 43 1HB TRP 43 7.997 -4.423 -4.597 331 HD1 TRP 43 HD TRP 43 9.165 -2.315 -7.078 332 HE1 TRP 43 1HE TRP 43 7.690 -0.244 -7.483 333 HE3 TRP 43 3HE TRP 43 4.856 -3.926 -4.841 334 HZ2 TRP 43 2HZ TRP 43 5.058 0.597 -6.921 335 HZ3 TRP 43 3HZ TRP 43 2.906 -2.425 -4.818 336 HH2 TRP 43 HH TRP 43 3.008 -0.210 -5.836 337 H ILE 44 H ILE 44 8.211 -7.322 -6.739 338 HA ILE 44 HA ILE 44 8.940 -8.587 -4.350 339 HB ILE 44 HB ILE 44 8.471 -9.885 -7.043 340 1HG1 ILE 44 2HG1 ILE 44 6.501 -9.325 -4.813 341 2HG1 ILE 44 1HG1 ILE 44 6.628 -8.382 -6.294 342 1HG2 ILE 44 1HG2 ILE 44 9.513 -11.393 -5.432 343 2HG2 ILE 44 2HG2 ILE 44 7.838 -11.859 -5.728 344 3HG2 ILE 44 3HG2 ILE 44 8.265 -11.006 -4.246 345 1HD1 ILE 44 1HD1 ILE 44 4.796 -9.940 -6.451 346 2HD1 ILE 44 2HD1 ILE 44 5.874 -11.288 -6.087 347 3HD1 ILE 44 3HD1 ILE 44 6.062 -10.389 -7.593 348 H ILE 45 H ILE 45 10.592 -8.385 -7.465 349 HA ILE 45 HA ILE 45 12.674 -10.203 -6.702 350 HB ILE 45 HB ILE 45 12.619 -8.249 -8.998 351 1HG1 ILE 45 2HG1 ILE 45 11.895 -11.186 -8.909 352 2HG1 ILE 45 1HG1 ILE 45 10.753 -9.858 -9.077 353 1HG2 ILE 45 1HG2 ILE 45 14.380 -10.645 -8.492 354 2HG2 ILE 45 2HG2 ILE 45 14.881 -8.955 -8.515 355 3HG2 ILE 45 3HG2 ILE 45 14.322 -9.727 -9.997 356 1HD1 ILE 45 1HD1 ILE 45 12.894 -10.593 -11.052 357 2HD1 ILE 45 2HD1 ILE 45 11.746 -9.266 -11.222 358 3HD1 ILE 45 3HD1 ILE 45 11.173 -10.934 -11.201 359 H LYS 46 H LYS 46 12.294 -6.709 -6.776 360 HA LYS 46 HA LYS 46 15.079 -6.179 -6.335 361 1HB LYS 46 2HB LYS 46 13.586 -4.650 -7.587 362 2HB LYS 46 1HB LYS 46 12.694 -4.335 -6.108 363 1HG LYS 46 2HG LYS 46 14.648 -3.312 -5.110 364 2HG LYS 46 1HG LYS 46 15.604 -3.690 -6.545 365 1HD LYS 46 2HD LYS 46 14.155 -2.269 -7.900 366 2HD LYS 46 1HD LYS 46 13.164 -1.916 -6.484 367 1HE LYS 46 2HE LYS 46 14.668 -0.076 -6.902 368 2HE LYS 46 1HE LYS 46 15.119 -0.883 -5.403 369 1HZ LYS 46 1HZ LYS 46 17.012 -0.282 -6.859 370 2HZ LYS 46 2HZ LYS 46 16.446 -1.380 -8.016 371 3HZ LYS 46 3HZ LYS 46 16.946 -1.938 -6.492 372 H TYR 47 H TYR 47 12.142 -5.857 -4.311 373 HA TYR 47 HA TYR 47 13.772 -5.118 -2.030 374 1HB TYR 47 2HB TYR 47 10.784 -5.509 -2.296 375 2HB TYR 47 1HB TYR 47 11.595 -4.933 -0.841 376 HD1 TYR 47 1HD TYR 47 12.588 -2.697 -0.766 377 HD2 TYR 47 2HD TYR 47 10.567 -4.081 -4.249 378 HE1 TYR 47 1HE TYR 47 12.511 -0.397 -1.632 379 HE2 TYR 47 2HE TYR 47 10.489 -1.783 -5.122 380 HH TYR 47 HH TYR 47 12.332 0.728 -3.866 381 H GLY 48 H GLY 48 11.925 -7.868 -3.160 382 1HA GLY 48 2HA GLY 48 12.754 -9.476 -0.872 383 2HA GLY 48 1HA GLY 48 11.769 -10.016 -2.230 384 H SER 49 H SER 49 14.996 -8.754 -1.575 385 HA SER 49 HA SER 49 16.245 -9.342 -3.921 386 1HB SER 49 2HB SER 49 17.534 -9.509 -1.191 387 2HB SER 49 1HB SER 49 18.328 -9.122 -2.720 388 HG SER 49 HG SER 49 16.758 -7.298 -2.789 389 H ASN 50 H ASN 50 15.844 -11.491 -1.131 390 HA ASN 50 HA ASN 50 15.730 -13.755 -1.002 391 1HB ASN 50 2HB ASN 50 14.499 -13.818 -3.055 392 2HB ASN 50 1HB ASN 50 15.965 -13.597 -4.007 393 1HD2 ASN 50 1HD2 ASN 50 14.083 -15.801 -2.107 394 2HD2 ASN 50 2HD2 ASN 50 14.881 -17.247 -2.621 395 H HIS 51 H HIS 51 18.234 -12.735 -3.285 396 HA HIS 51 HA HIS 51 19.928 -14.963 -2.686 397 1HB HIS 51 2HB HIS 51 20.533 -12.387 -4.159 398 2HB HIS 51 1HB HIS 51 21.593 -13.789 -4.093 399 HD1 HIS 51 1HD HIS 51 20.931 -15.859 -5.499 400 HD2 HIS 51 2HD HIS 51 18.365 -12.608 -5.906 401 HE1 HIS 51 1HE HIS 51 19.504 -16.360 -7.514 402 HE2 HIS 51 2HE HIS 51 17.823 -14.483 -7.605 403 H ASN 52 H ASN 52 21.522 -15.124 -1.257 404 HA ASN 52 HA ASN 52 22.551 -12.737 0.035 405 1HB ASN 52 2HB ASN 52 20.750 -13.623 1.527 406 2HB ASN 52 1HB ASN 52 21.626 -15.149 1.617 407 1HD2 ASN 52 1HD2 ASN 52 21.620 -11.786 2.533 408 2HD2 ASN 52 2HD2 ASN 52 22.844 -11.921 3.753 409 H VAL 53 H VAL 53 24.549 -12.822 -0.457 410 HA VAL 53 HA VAL 53 26.017 -14.869 -1.510 411 HB VAL 53 HB VAL 53 28.049 -13.563 -0.784 412 1HG1 VAL 53 1HG1 VAL 53 25.802 -12.142 -2.216 413 2HG1 VAL 53 2HG1 VAL 53 27.030 -13.183 -2.940 414 3HG1 VAL 53 3HG1 VAL 53 27.490 -11.629 -2.244 415 1HG2 VAL 53 1HG2 VAL 53 27.670 -11.341 0.166 416 2HG2 VAL 53 2HG2 VAL 53 27.145 -12.613 1.270 417 3HG2 VAL 53 3HG2 VAL 53 25.953 -11.708 0.336 418 H GLN 54 H GLN 54 25.398 -14.365 1.862 419 HA GLN 54 HA GLN 54 26.077 -15.364 3.766 420 1HB GLN 54 2HB GLN 54 26.815 -17.556 1.830 421 2HB GLN 54 1HB GLN 54 26.929 -17.714 3.570 422 1HG GLN 54 2HG GLN 54 24.363 -17.014 2.189 423 2HG GLN 54 1HG GLN 54 24.876 -18.679 2.462 424 1HE2 GLN 54 1HE2 GLN 54 23.680 -15.771 3.917 425 2HE2 GLN 54 2HE2 GLN 54 23.343 -16.451 5.474 426 H GLY 55 H GLY 55 27.626 -13.746 4.097 427 1HA GLY 55 2HA GLY 55 30.252 -14.641 4.529 428 2HA GLY 55 1HA GLY 55 30.210 -13.715 3.032 429 H THR 56 H THR 56 30.388 -11.595 3.160 430 HA THR 56 HA THR 56 30.907 -9.580 4.036 431 HB THR 56 HB THR 56 29.112 -8.614 5.522 432 HG1 THR 56 1HG THR 56 28.512 -11.008 6.097 433 1HG2 THR 56 1HG2 THR 56 27.446 -8.535 3.738 434 2HG2 THR 56 2HG2 THR 56 28.226 -9.906 2.949 435 3HG2 THR 56 3HG2 THR 56 29.082 -8.371 3.094 436 H THR 57 H THR 57 32.802 -9.846 5.132 437 HA THR 57 HA THR 57 32.581 -10.092 8.032 438 HB THR 57 HB THR 57 33.123 -12.317 7.473 439 HG1 THR 57 1HG THR 57 35.062 -12.560 8.482 440 1HG2 THR 57 1HG2 THR 57 33.717 -12.018 5.137 441 2HG2 THR 57 2HG2 THR 57 34.963 -12.948 5.969 442 3HG2 THR 57 3HG2 THR 57 35.232 -11.244 5.599 443 HA PRO 58 HA PRO 58 35.174 -6.469 7.416 444 1HB PRO 58 2HB PRO 58 35.164 -5.763 10.056 445 2HB PRO 58 1HB PRO 58 33.861 -5.363 8.933 446 1HG PRO 58 2HG PRO 58 34.026 -7.587 10.924 447 2HG PRO 58 1HG PRO 58 32.655 -6.530 10.536 448 1HD PRO 58 2HD PRO 58 32.838 -9.044 9.573 449 2HD PRO 58 1HD PRO 58 32.106 -7.728 8.636 450 H SER 59 H SER 59 35.579 -9.084 9.665 451 HA SER 59 HA SER 59 38.148 -8.429 10.619 452 1HB SER 59 2HB SER 59 36.937 -11.192 10.391 453 2HB SER 59 1HB SER 59 38.184 -10.661 11.521 454 HG SER 59 HG SER 59 36.005 -10.749 12.400 455 H ALA 60 H ALA 60 37.030 -10.303 7.851 456 HA ALA 60 HA ALA 60 39.686 -11.144 7.127 457 1HB ALA 60 1HB ALA 60 38.653 -12.104 5.149 458 2HB ALA 60 2HB ALA 60 37.144 -11.261 5.510 459 3HB ALA 60 3HB ALA 60 37.735 -12.517 6.597 460 H ALA 61 H ALA 61 37.743 -8.381 6.621 461 HA ALA 61 HA ALA 61 39.000 -7.568 4.165 462 1HB ALA 61 1HB ALA 61 36.674 -6.963 4.667 463 2HB ALA 61 2HB ALA 61 37.680 -5.547 4.354 464 3HB ALA 61 3HB ALA 61 37.240 -5.973 6.009 465 H VAL 62 H VAL 62 39.942 -7.578 7.329 466 HA VAL 62 HA VAL 62 41.435 -5.120 7.345 467 HB VAL 62 HB VAL 62 41.755 -7.537 9.141 468 1HG1 VAL 62 1HG1 VAL 62 42.673 -4.687 9.498 469 2HG1 VAL 62 2HG1 VAL 62 43.705 -6.077 9.166 470 3HG1 VAL 62 3HG1 VAL 62 42.830 -5.978 10.693 471 1HG2 VAL 62 1HG2 VAL 62 39.499 -6.665 9.299 472 2HG2 VAL 62 2HG2 VAL 62 40.124 -5.031 9.529 473 3HG2 VAL 62 3HG2 VAL 62 40.403 -6.262 10.761 474 H SER 63 H SER 63 41.990 -8.457 6.559 475 HA SER 63 HA SER 63 44.798 -8.372 6.285 476 1HB SER 63 2HB SER 63 42.887 -10.156 4.773 477 2HB SER 63 1HB SER 63 44.557 -10.497 5.221 478 HG SER 63 HG SER 63 43.466 -11.497 6.792 479 H GLU 64 H GLU 64 42.142 -7.531 4.225 480 HA GLU 64 HA GLU 64 43.595 -7.406 1.783 481 1HB GLU 64 2HB GLU 64 41.064 -7.646 2.111 482 2HB GLU 64 1HB GLU 64 41.052 -5.911 2.390 483 1HG GLU 64 2HG GLU 64 40.479 -6.242 0.126 484 2HG GLU 64 1HG GLU 64 42.136 -5.643 0.147 485 H ALA 65 H ALA 65 43.383 -5.360 4.489 486 HA ALA 65 HA ALA 65 43.546 -2.813 3.340 487 1HB ALA 65 1HB ALA 65 44.373 -2.058 5.508 488 2HB ALA 65 2HB ALA 65 44.656 -3.732 5.989 489 3HB ALA 65 3HB ALA 65 43.013 -3.165 5.690 490 H GLU 66 H GLU 66 45.987 -5.258 3.815 491 HA GLU 66 HA GLU 66 48.289 -3.651 3.545 492 1HB GLU 66 2HB GLU 66 47.830 -6.295 3.995 493 2HB GLU 66 1HB GLU 66 48.349 -6.343 2.317 494 1HG GLU 66 2HG GLU 66 49.915 -5.103 4.570 495 2HG GLU 66 1HG GLU 66 50.177 -6.719 3.925 496 H GLN 67 H GLN 67 46.184 -5.238 1.210 497 HA GLN 67 HA GLN 67 47.662 -4.386 -1.097 498 1HB GLN 67 2HB GLN 67 44.863 -5.507 -0.800 499 2HB GLN 67 1HB GLN 67 45.612 -5.146 -2.346 500 1HG GLN 67 2HG GLN 67 45.749 -7.504 -1.911 501 2HG GLN 67 1HG GLN 67 47.364 -6.802 -1.861 502 1HE2 GLN 67 1HE2 GLN 67 44.737 -8.086 0.086 503 2HE2 GLN 67 2HE2 GLN 67 45.710 -8.436 1.483 504 H ILE 68 H ILE 68 44.752 -3.360 0.598 505 HA ILE 68 HA ILE 68 43.825 -1.399 -1.133 506 HB ILE 68 HB ILE 68 43.667 -1.488 1.885 507 1HG1 ILE 68 2HG1 ILE 68 41.687 -2.280 -0.259 508 2HG1 ILE 68 1HG1 ILE 68 42.630 -3.391 0.721 509 1HG2 ILE 68 1HG2 ILE 68 42.149 0.242 -0.060 510 2HG2 ILE 68 2HG2 ILE 68 43.306 0.787 1.154 511 3HG2 ILE 68 3HG2 ILE 68 41.773 0.073 1.656 512 1HD1 ILE 68 1HD1 ILE 68 41.487 -2.615 2.723 513 2HD1 ILE 68 2HD1 ILE 68 40.344 -3.215 1.522 514 3HD1 ILE 68 3HD1 ILE 68 40.551 -1.479 1.752 515 H ARG 69 H ARG 69 46.195 -1.079 1.513 516 HA ARG 69 HA ARG 69 46.417 1.725 1.274 517 1HB ARG 69 2HB ARG 69 48.356 1.588 2.693 518 2HB ARG 69 1HB ARG 69 47.114 0.506 3.297 519 1HG ARG 69 2HG ARG 69 48.296 -1.406 2.427 520 2HG ARG 69 1HG ARG 69 49.494 -0.355 1.665 521 1HD ARG 69 2HD ARG 69 50.175 0.470 3.858 522 2HD ARG 69 1HD ARG 69 48.958 -0.543 4.630 523 HE ARG 69 HE ARG 69 50.451 -2.326 3.234 524 1HH1 ARG 69 1HH1 ARG 69 51.288 0.207 5.528 525 2HH1 ARG 69 2HH1 ARG 69 52.679 -0.643 6.139 526 1HH2 ARG 69 1HH2 ARG 69 52.243 -3.435 4.042 527 2HH2 ARG 69 2HH2 ARG 69 53.207 -2.742 5.320 528 H GLN 70 H GLN 70 47.949 -0.883 -0.472 529 HA GLN 70 HA GLN 70 50.070 0.628 -1.590 530 1HB GLN 70 2HB GLN 70 49.876 -1.887 -1.550 531 2HB GLN 70 1HB GLN 70 48.670 -1.744 -2.814 532 1HG GLN 70 2HG GLN 70 50.458 -0.430 -4.085 533 2HG GLN 70 1HG GLN 70 51.585 -1.135 -2.932 534 1HE2 GLN 70 1HE2 GLN 70 51.963 -3.368 -2.973 535 2HE2 GLN 70 2HE2 GLN 70 51.512 -4.341 -4.333 536 H LEU 71 H LEU 71 46.885 -0.326 -2.765 537 HA LEU 71 HA LEU 71 47.152 0.929 -5.287 538 1HB LEU 71 2HB LEU 71 44.974 -0.418 -3.781 539 2HB LEU 71 1HB LEU 71 44.541 0.564 -5.155 540 HG LEU 71 HG LEU 71 44.705 -1.728 -5.851 541 1HD1 LEU 71 1HD1 LEU 71 47.095 -0.168 -6.821 542 2HD1 LEU 71 2HD1 LEU 71 45.451 -0.047 -7.452 543 3HD1 LEU 71 3HD1 LEU 71 46.359 -1.548 -7.634 544 1HD2 LEU 71 1HD2 LEU 71 47.528 -1.670 -4.791 545 2HD2 LEU 71 2HD2 LEU 71 46.788 -2.997 -5.684 546 3HD2 LEU 71 3HD2 LEU 71 46.174 -2.559 -4.091 547 H LYS 72 H LYS 72 45.749 1.957 -2.222 548 HA LYS 72 HA LYS 72 44.375 4.165 -3.456 549 1HB LYS 72 2HB LYS 72 43.537 2.920 -1.433 550 2HB LYS 72 1HB LYS 72 44.798 3.725 -0.505 551 1HG LYS 72 2HG LYS 72 43.846 5.903 -1.133 552 2HG LYS 72 1HG LYS 72 42.566 5.072 -2.016 553 1HD LYS 72 2HD LYS 72 41.876 3.987 0.100 554 2HD LYS 72 1HD LYS 72 43.096 4.941 0.948 555 1HE LYS 72 2HE LYS 72 40.739 6.007 -0.603 556 2HE LYS 72 1HE LYS 72 40.929 6.005 1.149 557 1HZ LYS 72 1HZ LYS 72 42.690 7.464 -0.753 558 2HZ LYS 72 2HZ LYS 72 42.789 7.507 0.938 559 3HZ LYS 72 3HZ LYS 72 41.441 8.171 0.150 560 H LYS 73 H LYS 73 47.417 3.708 -1.787 561 HA LYS 73 HA LYS 73 47.869 6.540 -1.455 562 1HB LYS 73 2HB LYS 73 48.841 4.985 0.157 563 2HB LYS 73 1HB LYS 73 49.741 4.187 -1.123 564 1HG LYS 73 2HG LYS 73 51.195 5.640 0.138 565 2HG LYS 73 1HG LYS 73 51.016 6.242 -1.508 566 1HD LYS 73 2HD LYS 73 50.855 8.161 -0.191 567 2HD LYS 73 1HD LYS 73 49.177 7.755 -0.547 568 1HE LYS 73 2HE LYS 73 50.606 6.966 1.989 569 2HE LYS 73 1HE LYS 73 49.627 8.420 1.829 570 1HZ LYS 73 1HZ LYS 73 48.702 5.611 1.587 571 2HZ LYS 73 2HZ LYS 73 47.735 6.960 1.240 572 3HZ LYS 73 3HZ LYS 73 48.309 6.709 2.815 573 H GLU 74 H GLU 74 48.015 7.644 -3.263 574 HA GLU 74 HA GLU 74 48.770 8.464 -5.226 575 1HB GLU 74 2HB GLU 74 51.070 6.532 -4.882 576 2HB GLU 74 1HB GLU 74 51.009 7.872 -6.021 577 1HG GLU 74 2HG GLU 74 50.916 9.457 -4.196 578 2HG GLU 74 1HG GLU 74 50.894 8.137 -3.026 579 H ASN 75 H ASN 75 47.630 8.050 -6.967 580 HA ASN 75 HA ASN 75 47.685 5.335 -8.095 581 1HB ASN 75 2HB ASN 75 45.594 5.921 -6.684 582 2HB ASN 75 1HB ASN 75 45.159 6.981 -8.021 583 1HD2 ASN 75 1HD2 ASN 75 45.530 3.709 -6.953 584 2HD2 ASN 75 2HD2 ASN 75 44.737 2.968 -8.302 585 H ALA 76 H ALA 76 46.407 5.496 -10.347 586 HA ALA 76 HA ALA 76 48.154 6.855 -12.029 587 1HB ALA 76 1HB ALA 76 46.649 6.197 -13.844 588 2HB ALA 76 2HB ALA 76 45.424 5.756 -12.653 589 3HB ALA 76 3HB ALA 76 46.947 4.870 -12.720 590 H LEU 77 H LEU 77 45.168 7.903 -10.606 591 HA LEU 77 HA LEU 77 44.389 9.929 -12.342 592 1HB LEU 77 2HB LEU 77 44.150 9.751 -9.339 593 2HB LEU 77 1HB LEU 77 43.317 10.929 -10.327 594 HG LEU 77 HG LEU 77 42.939 7.942 -10.504 595 1HD1 LEU 77 1HD1 LEU 77 40.713 8.423 -9.546 596 2HD1 LEU 77 2HD1 LEU 77 41.208 10.099 -9.303 597 3HD1 LEU 77 3HD1 LEU 77 42.030 8.802 -8.436 598 1HD2 LEU 77 1HD2 LEU 77 42.590 9.086 -12.643 599 2HD2 LEU 77 2HD2 LEU 77 41.459 10.192 -11.863 600 3HD2 LEU 77 3HD2 LEU 77 41.074 8.475 -11.979 601 H GLN 78 H GLN 78 47.017 9.817 -10.085 602 HA GLN 78 HA GLN 78 47.408 12.671 -10.000 603 1HB GLN 78 2HB GLN 78 49.142 10.368 -9.093 604 2HB GLN 78 1HB GLN 78 49.518 12.062 -8.811 605 1HG GLN 78 2HG GLN 78 47.033 10.684 -7.810 606 2HG GLN 78 1HG GLN 78 48.506 10.907 -6.866 607 1HE2 GLN 78 1HE2 GLN 78 45.766 11.911 -6.424 608 2HE2 GLN 78 2HE2 GLN 78 45.936 13.632 -6.292 609 H ARG 79 H ARG 79 49.054 9.908 -11.520 610 HA ARG 79 HA ARG 79 51.023 11.630 -12.738 611 1HB ARG 79 2HB ARG 79 51.364 9.242 -11.818 612 2HB ARG 79 1HB ARG 79 50.686 8.707 -13.348 613 1HG ARG 79 2HG ARG 79 53.129 8.716 -13.395 614 2HG ARG 79 1HG ARG 79 52.452 9.858 -14.559 615 1HD ARG 79 2HD ARG 79 52.845 11.691 -12.984 616 2HD ARG 79 1HD ARG 79 53.518 10.549 -11.823 617 HE ARG 79 HE ARG 79 55.337 10.173 -13.403 618 1HH1 ARG 79 1HH1 ARG 79 53.344 13.007 -13.901 619 2HH1 ARG 79 2HH1 ARG 79 54.581 13.875 -14.761 620 1HH2 ARG 79 1HH2 ARG 79 56.982 11.333 -14.490 621 2HH2 ARG 79 2HH2 ARG 79 56.643 12.938 -15.076 622 H ALA 80 H ALA 80 47.968 10.514 -13.559 623 HA ALA 80 HA ALA 80 48.083 10.078 -16.299 624 1HB ALA 80 1HB ALA 80 45.819 11.323 -14.751 625 2HB ALA 80 2HB ALA 80 46.121 9.594 -14.932 626 3HB ALA 80 3HB ALA 80 45.706 10.568 -16.342 627 H ARG 81 H ARG 81 48.540 13.007 -14.619 628 HA ARG 81 HA ARG 81 47.446 14.947 -16.258 629 1HB ARG 81 2HB ARG 81 50.023 15.032 -14.697 630 2HB ARG 81 1HB ARG 81 49.224 16.437 -15.378 631 1HG ARG 81 2HG ARG 81 47.297 16.056 -13.942 632 2HG ARG 81 1HG ARG 81 48.067 14.609 -13.284 633 1HD ARG 81 2HD ARG 81 49.939 16.017 -12.483 634 2HD ARG 81 1HD ARG 81 49.078 17.443 -13.062 635 HE ARG 81 HE ARG 81 47.472 15.887 -11.289 636 1HH1 ARG 81 1HH1 ARG 81 50.088 18.220 -11.378 637 2HH1 ARG 81 2HH1 ARG 81 49.758 18.840 -9.789 638 1HH2 ARG 81 1HH2 ARG 81 47.041 16.709 -9.195 639 2HH2 ARG 81 2HH2 ARG 81 48.036 17.983 -8.551 640 H THR 82 H THR 82 50.223 12.999 -16.818 641 HA THR 82 HA THR 82 51.485 14.753 -18.683 642 HB THR 82 HB THR 82 52.006 11.807 -18.273 643 HG1 THR 82 1HG THR 82 52.587 14.063 -16.743 644 1HG2 THR 82 1HG2 THR 82 53.045 12.705 -20.290 645 2HG2 THR 82 2HG2 THR 82 54.271 12.380 -19.063 646 3HG2 THR 82 3HG2 THR 82 53.739 14.035 -19.354 647 H ARG 83 H ARG 83 49.244 12.084 -18.968 648 HA ARG 83 HA ARG 83 49.349 12.367 -21.887 649 1HB ARG 83 2HB ARG 83 49.112 9.864 -20.227 650 2HB ARG 83 1HB ARG 83 48.746 9.916 -21.942 651 1HG ARG 83 2HG ARG 83 51.023 10.645 -22.417 652 2HG ARG 83 1HG ARG 83 51.393 10.610 -20.695 653 1HD ARG 83 2HD ARG 83 50.939 8.196 -20.664 654 2HD ARG 83 1HD ARG 83 50.599 8.248 -22.395 655 HE ARG 83 HE ARG 83 53.165 9.332 -21.833 656 1HH1 ARG 83 1HH1 ARG 83 51.452 6.283 -22.080 657 2HH1 ARG 83 2HH1 ARG 83 52.866 5.383 -22.549 658 1HH2 ARG 83 1HH2 ARG 83 55.032 8.149 -22.382 659 2HH2 ARG 83 2HH2 ARG 83 54.919 6.439 -22.685 660 H HIS 84 H HIS 84 47.241 10.824 -22.634 661 HA HIS 84 HA HIS 84 44.934 11.697 -21.071 662 1HB HIS 84 2HB HIS 84 45.479 13.507 -22.737 663 2HB HIS 84 1HB HIS 84 45.157 12.343 -24.016 664 HD1 HIS 84 1HD HIS 84 42.852 12.539 -24.931 665 HD2 HIS 84 2HD HIS 84 43.043 13.668 -20.932 666 HE1 HIS 84 1HE HIS 84 40.526 13.266 -24.316 667 HE2 HIS 84 2HE HIS 84 40.628 13.748 -21.845 668 HA PRO 85 HA PRO 85 43.934 7.576 -22.607 669 1HB PRO 85 2HB PRO 85 42.197 6.949 -20.664 670 2HB PRO 85 1HB PRO 85 43.942 6.943 -20.378 671 1HG PRO 85 2HG PRO 85 41.913 9.026 -19.667 672 2HG PRO 85 1HG PRO 85 43.265 8.410 -18.701 673 1HD PRO 85 2HD PRO 85 43.326 10.759 -20.116 674 2HD PRO 85 1HD PRO 85 44.767 9.809 -19.708 675 H ALA 86 H ALA 86 41.724 6.494 -22.953 676 HA ALA 86 HA ALA 86 39.626 8.440 -23.599 677 1HB ALA 86 1HB ALA 86 40.717 6.415 -25.558 678 2HB ALA 86 2HB ALA 86 40.958 8.162 -25.627 679 3HB ALA 86 3HB ALA 86 39.341 7.487 -25.829 680 H GLU 87 H GLU 87 39.799 6.575 -21.469 681 HA GLU 87 HA GLU 87 38.783 4.052 -21.895 682 1HB GLU 87 2HB GLU 87 38.042 4.159 -19.506 683 2HB GLU 87 1HB GLU 87 39.716 4.619 -19.780 684 1HG GLU 87 2HG GLU 87 38.991 7.003 -19.728 685 2HG GLU 87 1HG GLU 87 37.385 6.448 -19.256 686 H SER 88 H SER 88 36.915 7.014 -21.220 687 HA SER 88 HA SER 88 34.416 5.599 -21.418 688 1HB SER 88 2HB SER 88 34.886 8.585 -21.374 689 2HB SER 88 1HB SER 88 33.396 7.734 -20.960 690 HG SER 88 HG SER 88 35.699 8.129 -19.483 691 H CYS 89 H CYS 89 36.523 7.304 -23.554 692 HA CYS 89 HA CYS 89 34.563 8.059 -25.474 693 1HB CYS 89 2HB CYS 89 36.770 9.185 -25.212 694 2HB CYS 89 1HB CYS 89 37.539 7.747 -25.871 695 HG CYS 89 HG CYS 89 35.701 10.113 -27.448 696 H LEU 90 H LEU 90 36.598 5.273 -25.001 697 HA LEU 90 HA LEU 90 36.169 4.186 -27.590 698 1HB LEU 90 2HB LEU 90 37.147 2.121 -26.712 699 2HB LEU 90 1HB LEU 90 38.120 3.530 -26.353 700 HG LEU 90 HG LEU 90 36.863 3.422 -24.039 701 1HD1 LEU 90 1HD1 LEU 90 36.729 0.564 -24.983 702 2HD1 LEU 90 2HD1 LEU 90 35.354 1.611 -24.629 703 3HD1 LEU 90 3HD1 LEU 90 36.446 1.120 -23.333 704 1HD2 LEU 90 1HD2 LEU 90 38.700 2.027 -23.184 705 2HD2 LEU 90 2HD2 LEU 90 39.258 3.261 -24.313 706 3HD2 LEU 90 3HD2 LEU 90 39.111 1.585 -24.843 707 H GLU 91 H GLU 91 34.426 3.985 -24.571 708 HA GLU 91 HA GLU 91 32.675 1.895 -25.538 709 1HB GLU 91 2HB GLU 91 32.541 3.659 -23.092 710 2HB GLU 91 1HB GLU 91 31.340 2.437 -23.475 711 1HG GLU 91 2HG GLU 91 33.255 0.778 -23.473 712 2HG GLU 91 1HG GLU 91 34.211 2.058 -22.723 713 H HIS 92 H HIS 92 32.585 5.395 -25.118 714 HA HIS 92 HA HIS 92 31.051 7.005 -25.607 715 1HB HIS 92 2HB HIS 92 29.763 4.889 -27.364 716 2HB HIS 92 1HB HIS 92 29.321 6.590 -27.343 717 HD1 HIS 92 1HD HIS 92 31.061 8.273 -28.389 718 HD2 HIS 92 2HD HIS 92 31.961 4.239 -28.901 719 HE1 HIS 92 1HE HIS 92 32.795 8.189 -30.204 720 HE2 HIS 92 2HE HIS 92 33.230 5.737 -30.594 721 H HIS 93 H HIS 93 28.318 7.091 -25.659 722 HA HIS 93 HA HIS 93 27.662 5.681 -23.158 723 1HB HIS 93 2HB HIS 93 27.533 8.283 -23.420 724 2HB HIS 93 1HB HIS 93 26.004 7.940 -24.226 725 HD1 HIS 93 1HD HIS 93 24.377 8.713 -22.462 726 HD2 HIS 93 2HD HIS 93 27.274 6.132 -20.957 727 HE1 HIS 93 1HE HIS 93 23.666 8.191 -20.104 728 HE2 HIS 93 2HE HIS 93 25.538 6.786 -19.153 729 H HIS 94 H HIS 94 26.852 6.057 -26.459 730 HA HIS 94 HA HIS 94 25.657 4.773 -27.880 731 1HB HIS 94 2HB HIS 94 25.298 3.096 -25.419 732 2HB HIS 94 1HB HIS 94 24.424 2.724 -26.901 733 HD1 HIS 94 1HD HIS 94 25.700 1.585 -28.765 734 HD2 HIS 94 2HD HIS 94 28.136 2.792 -25.613 735 HE1 HIS 94 1HE HIS 94 27.944 0.529 -29.194 736 HE2 HIS 94 2HE HIS 94 29.350 1.129 -27.188 737 H HIS 95 H HIS 95 23.727 4.931 -28.791 738 HA HIS 95 HA HIS 95 21.335 5.328 -27.217 739 1HB HIS 95 2HB HIS 95 22.227 7.630 -27.433 740 2HB HIS 95 1HB HIS 95 22.266 7.443 -29.184 741 HD1 HIS 95 1HD HIS 95 20.079 7.711 -30.457 742 HD2 HIS 95 2HD HIS 95 19.616 7.906 -26.327 743 HE1 HIS 95 1HE HIS 95 17.733 8.530 -30.074 744 HE2 HIS 95 2HE HIS 95 17.403 8.405 -27.579 745 H HIS 96 H HIS 96 19.469 4.781 -28.368 746 HA HIS 96 HA HIS 96 19.669 4.331 -31.238 747 1HB HIS 96 2HB HIS 96 18.994 2.026 -31.185 748 2HB HIS 96 1HB HIS 96 20.398 2.177 -30.138 749 HD1 HIS 96 1HD HIS 96 16.698 1.526 -30.063 750 HD2 HIS 96 2HD HIS 96 19.920 1.663 -27.423 751 HE1 HIS 96 1HE HIS 96 15.866 0.514 -27.919 752 HE2 HIS 96 2HE HIS 96 17.784 0.723 -26.296 753 H HIS 97 H HIS 97 17.571 3.979 -32.232 754 HA HIS 97 HA HIS 97 15.296 4.396 -30.410 755 1HB HIS 97 2HB HIS 97 15.645 6.311 -31.983 756 2HB HIS 97 1HB HIS 97 15.450 5.195 -33.330 757 HD1 HIS 97 1HD HIS 97 13.155 4.959 -34.203 758 HD2 HIS 97 2HD HIS 97 13.195 6.438 -30.316 759 HE1 HIS 97 1HE HIS 97 10.767 5.553 -33.679 760 HE2 HIS 97 2HE HIS 97 10.806 6.435 -31.317 Start of MODEL 15 1 1H MET 1 1HT MET 1 2.795 22.786 -7.833 2 2H MET 1 2HT MET 1 1.372 21.891 -7.590 3 3H MET 1 3HT MET 1 2.603 21.277 -8.580 4 HA MET 1 HA MET 1 4.084 21.092 -6.706 5 1HB MET 1 2HB MET 1 1.682 22.067 -5.140 6 2HB MET 1 1HB MET 1 3.150 21.419 -4.424 7 1HG MET 1 2HG MET 1 3.006 23.888 -6.137 8 2HG MET 1 1HG MET 1 3.059 23.870 -4.375 9 1HE MET 1 1HE MET 1 6.600 22.397 -3.659 10 2HE MET 1 2HE MET 1 5.067 21.529 -3.748 11 3HE MET 1 3HE MET 1 5.143 23.102 -2.955 12 HA PRO 2 HA PRO 2 1.428 17.371 -6.971 13 1HB PRO 2 2HB PRO 2 3.007 15.852 -8.499 14 2HB PRO 2 1HB PRO 2 2.040 17.155 -9.200 15 1HG PRO 2 2HG PRO 2 4.961 17.056 -8.634 16 2HG PRO 2 1HG PRO 2 4.095 17.874 -9.944 17 1HD PRO 2 2HD PRO 2 5.043 19.042 -7.557 18 2HD PRO 2 1HD PRO 2 3.948 19.785 -8.739 19 H THR 3 H THR 3 1.751 15.195 -6.142 20 HA THR 3 HA THR 3 4.276 14.776 -4.718 21 HB THR 3 HB THR 3 2.689 15.531 -3.040 22 HG1 THR 3 1HG THR 3 4.016 14.087 -2.129 23 1HG2 THR 3 1HG2 THR 3 0.992 13.162 -3.832 24 2HG2 THR 3 2HG2 THR 3 0.604 14.852 -4.159 25 3HG2 THR 3 3HG2 THR 3 0.674 14.269 -2.496 26 H LYS 4 H LYS 4 4.786 12.604 -4.317 27 HA LYS 4 HA LYS 4 3.416 10.412 -5.478 28 1HB LYS 4 2HB LYS 4 4.141 11.790 -7.516 29 2HB LYS 4 1HB LYS 4 5.788 11.372 -7.085 30 1HG LYS 4 2HG LYS 4 3.666 9.326 -7.666 31 2HG LYS 4 1HG LYS 4 4.739 9.993 -8.895 32 1HD LYS 4 2HD LYS 4 6.649 9.238 -7.357 33 2HD LYS 4 1HD LYS 4 5.423 8.273 -6.530 34 1HE LYS 4 2HE LYS 4 6.477 6.876 -8.158 35 2HE LYS 4 1HE LYS 4 4.852 7.249 -8.732 36 1HZ LYS 4 1HZ LYS 4 5.752 8.892 -10.219 37 2HZ LYS 4 2HZ LYS 4 6.550 7.417 -10.477 38 3HZ LYS 4 3HZ LYS 4 7.318 8.656 -9.612 39 H THR 5 H THR 5 4.016 9.167 -3.786 40 HA THR 5 HA THR 5 6.891 8.697 -3.425 41 HB THR 5 HB THR 5 5.197 8.700 -0.983 42 HG1 THR 5 1HG THR 5 4.654 10.690 -1.988 43 1HG2 THR 5 1HG2 THR 5 7.274 9.517 0.038 44 2HG2 THR 5 2HG2 THR 5 8.024 9.593 -1.558 45 3HG2 THR 5 3HG2 THR 5 7.546 8.036 -0.880 46 H TYR 6 H TYR 6 7.403 6.667 -2.517 47 HA TYR 6 HA TYR 6 5.238 4.744 -2.162 48 1HB TYR 6 2HB TYR 6 7.565 4.481 -4.048 49 2HB TYR 6 1HB TYR 6 6.808 3.061 -3.347 50 HD1 TYR 6 1HD TYR 6 6.715 5.419 -5.997 51 HD2 TYR 6 2HD TYR 6 4.258 2.812 -3.704 52 HE1 TYR 6 1HE TYR 6 5.022 5.453 -7.779 53 HE2 TYR 6 2HE TYR 6 2.566 2.827 -5.484 54 HH TYR 6 HH TYR 6 1.871 4.226 -7.348 55 H SER 7 H SER 7 5.481 4.228 -0.090 56 HA SER 7 HA SER 7 8.051 4.266 1.187 57 1HB SER 7 2HB SER 7 6.719 3.496 3.183 58 2HB SER 7 1HB SER 7 6.165 5.010 2.473 59 HG SER 7 HG SER 7 4.500 3.404 2.989 60 H GLU 8 H GLU 8 8.837 2.386 2.461 61 HA GLU 8 HA GLU 8 9.083 0.120 0.777 62 1HB GLU 8 2HB GLU 8 9.870 0.521 3.664 63 2HB GLU 8 1HB GLU 8 10.265 -0.916 2.732 64 1HG GLU 8 2HG GLU 8 11.407 0.627 1.089 65 2HG GLU 8 1HG GLU 8 11.228 1.894 2.304 66 H GLU 9 H GLU 9 7.131 0.789 3.644 67 HA GLU 9 HA GLU 9 6.231 -1.783 4.184 68 1HB GLU 9 2HB GLU 9 5.378 0.950 4.798 69 2HB GLU 9 1HB GLU 9 4.073 -0.223 4.797 70 1HG GLU 9 2HG GLU 9 5.044 0.069 7.015 71 2HG GLU 9 1HG GLU 9 5.244 -1.579 6.423 72 H PHE 10 H PHE 10 5.019 0.599 1.884 73 HA PHE 10 HA PHE 10 2.648 -0.725 1.160 74 1HB PHE 10 2HB PHE 10 3.246 1.654 0.605 75 2HB PHE 10 1HB PHE 10 4.363 1.041 -0.607 76 HD1 PHE 10 1HD PHE 10 3.613 0.476 -2.752 77 HD2 PHE 10 2HD PHE 10 0.797 1.151 0.363 78 HE1 PHE 10 1HE PHE 10 1.788 0.454 -4.403 79 HE2 PHE 10 2HE PHE 10 -1.035 1.125 -1.276 80 HZ PHE 10 HZ PHE 10 -0.542 0.777 -3.665 81 H LYS 11 H LYS 11 5.927 -0.860 -0.179 82 HA LYS 11 HA LYS 11 5.224 -2.754 -2.210 83 1HB LYS 11 2HB LYS 11 7.983 -2.085 -1.201 84 2HB LYS 11 1HB LYS 11 7.555 -2.781 -2.757 85 1HG LYS 11 2HG LYS 11 6.434 -0.704 -3.384 86 2HG LYS 11 1HG LYS 11 6.866 -0.002 -1.824 87 1HD LYS 11 2HD LYS 11 9.256 -0.399 -2.391 88 2HD LYS 11 1HD LYS 11 8.740 -0.917 -3.994 89 1HE LYS 11 2HE LYS 11 7.830 1.261 -4.461 90 2HE LYS 11 1HE LYS 11 8.154 1.793 -2.810 91 1HZ LYS 11 1HZ LYS 11 9.866 2.633 -4.222 92 2HZ LYS 11 2HZ LYS 11 10.155 1.106 -4.896 93 3HZ LYS 11 3HZ LYS 11 10.545 1.401 -3.273 94 H ARG 12 H ARG 12 6.776 -2.915 0.965 95 HA ARG 12 HA ARG 12 7.602 -5.584 0.931 96 1HB ARG 12 2HB ARG 12 6.746 -3.782 3.185 97 2HB ARG 12 1HB ARG 12 7.291 -5.426 3.474 98 1HG ARG 12 2HG ARG 12 9.464 -4.911 2.574 99 2HG ARG 12 1HG ARG 12 8.926 -3.297 2.105 100 1HD ARG 12 2HD ARG 12 8.613 -2.670 4.401 101 2HD ARG 12 1HD ARG 12 8.949 -4.313 4.944 102 HE ARG 12 HE ARG 12 11.221 -3.696 3.673 103 1HH1 ARG 12 1HH1 ARG 12 9.332 -1.794 5.951 104 2HH1 ARG 12 2HH1 ARG 12 10.739 -1.066 6.675 105 1HH2 ARG 12 1HH2 ARG 12 13.046 -2.746 4.632 106 2HH2 ARG 12 2HH2 ARG 12 12.841 -1.579 5.904 107 H ASP 13 H ASP 13 4.509 -4.161 1.900 108 HA ASP 13 HA ASP 13 3.295 -6.540 2.806 109 1HB ASP 13 2HB ASP 13 2.395 -4.309 3.321 110 2HB ASP 13 1HB ASP 13 2.015 -4.064 1.621 111 H ALA 14 H ALA 14 3.393 -4.978 -0.362 112 HA ALA 14 HA ALA 14 1.660 -6.727 -1.701 113 1HB ALA 14 1HB ALA 14 4.023 -5.251 -2.848 114 2HB ALA 14 2HB ALA 14 2.406 -4.578 -2.630 115 3HB ALA 14 3HB ALA 14 2.666 -5.914 -3.752 116 H VAL 15 H VAL 15 5.183 -6.872 -1.234 117 HA VAL 15 HA VAL 15 5.547 -9.256 -2.739 118 HB VAL 15 HB VAL 15 7.323 -8.155 -0.544 119 1HG1 VAL 15 1HG1 VAL 15 7.912 -10.099 -2.774 120 2HG1 VAL 15 2HG1 VAL 15 7.811 -10.485 -1.056 121 3HG1 VAL 15 3HG1 VAL 15 9.098 -9.436 -1.651 122 1HG2 VAL 15 1HG2 VAL 15 8.615 -7.157 -2.382 123 2HG2 VAL 15 2HG2 VAL 15 6.981 -6.501 -2.288 124 3HG2 VAL 15 3HG2 VAL 15 7.383 -7.693 -3.524 125 H ALA 16 H ALA 16 5.009 -8.594 0.698 126 HA ALA 16 HA ALA 16 5.339 -11.264 1.590 127 1HB ALA 16 1HB ALA 16 5.444 -9.335 3.104 128 2HB ALA 16 2HB ALA 16 4.255 -10.522 3.640 129 3HB ALA 16 3HB ALA 16 3.723 -9.041 2.844 130 H LEU 17 H LEU 17 2.602 -9.457 0.355 131 HA LEU 17 HA LEU 17 0.623 -11.400 0.963 132 1HB LEU 17 2HB LEU 17 0.280 -8.952 0.386 133 2HB LEU 17 1HB LEU 17 0.554 -9.390 -1.286 134 HG LEU 17 HG LEU 17 -1.410 -10.836 -1.264 135 1HD1 LEU 17 1HD1 LEU 17 -1.306 -11.526 1.087 136 2HD1 LEU 17 2HD1 LEU 17 -2.903 -10.915 0.654 137 3HD1 LEU 17 3HD1 LEU 17 -1.794 -9.902 1.580 138 1HD2 LEU 17 1HD2 LEU 17 -3.116 -9.115 -1.075 139 2HD2 LEU 17 2HD2 LEU 17 -1.668 -8.467 -1.847 140 3HD2 LEU 17 3HD2 LEU 17 -2.009 -8.095 -0.157 141 H TYR 18 H TYR 18 2.829 -10.889 -1.701 142 HA TYR 18 HA TYR 18 1.728 -12.785 -3.487 143 1HB TYR 18 2HB TYR 18 3.339 -11.131 -4.264 144 2HB TYR 18 1HB TYR 18 4.580 -11.805 -3.216 145 HD1 TYR 18 1HD TYR 18 2.303 -12.826 -5.989 146 HD2 TYR 18 2HD TYR 18 6.079 -13.340 -4.097 147 HE1 TYR 18 1HE TYR 18 2.987 -14.357 -7.784 148 HE2 TYR 18 2HE TYR 18 6.772 -14.875 -5.891 149 HH TYR 18 HH TYR 18 5.678 -16.367 -7.557 150 H GLU 19 H GLU 19 3.835 -13.065 -0.721 151 HA GLU 19 HA GLU 19 4.685 -15.730 -1.164 152 1HB GLU 19 2HB GLU 19 4.306 -14.281 1.462 153 2HB GLU 19 1HB GLU 19 5.219 -15.764 1.233 154 1HG GLU 19 2HG GLU 19 6.759 -14.562 -0.252 155 2HG GLU 19 1HG GLU 19 5.867 -13.073 0.058 156 H ASN 20 H ASN 20 1.707 -14.372 -0.222 157 HA ASN 20 HA ASN 20 0.654 -16.984 0.630 158 1HB ASN 20 2HB ASN 20 -0.360 -14.171 1.118 159 2HB ASN 20 1HB ASN 20 -1.225 -15.631 1.578 160 1HD2 ASN 20 1HD2 ASN 20 1.468 -13.555 2.269 161 2HD2 ASN 20 2HD2 ASN 20 1.885 -14.262 3.790 162 H SER 21 H SER 21 1.167 -16.218 -2.100 163 HA SER 21 HA SER 21 -1.049 -15.138 -3.422 164 1HB SER 21 2HB SER 21 -0.001 -16.296 -5.446 165 2HB SER 21 1HB SER 21 0.972 -15.112 -4.578 166 HG SER 21 HG SER 21 2.307 -16.620 -3.969 167 H ASP 22 H ASP 22 -0.665 -18.237 -2.086 168 HA ASP 22 HA ASP 22 -2.346 -19.775 -3.689 169 1HB ASP 22 2HB ASP 22 -1.956 -19.837 -0.697 170 2HB ASP 22 1HB ASP 22 -2.873 -21.050 -1.587 171 H GLY 23 H GLY 23 -3.089 -17.277 -1.387 172 1HA GLY 23 2HA GLY 23 -5.960 -17.809 -1.616 173 2HA GLY 23 1HA GLY 23 -5.202 -16.680 -0.503 174 H ALA 24 H ALA 24 -3.585 -15.918 -3.105 175 HA ALA 24 HA ALA 24 -5.539 -14.448 -4.616 176 1HB ALA 24 1HB ALA 24 -5.389 -13.034 -2.619 177 2HB ALA 24 2HB ALA 24 -4.741 -12.223 -4.045 178 3HB ALA 24 3HB ALA 24 -3.642 -12.905 -2.847 179 H SER 25 H SER 25 -4.789 -14.763 -6.588 180 HA SER 25 HA SER 25 -2.146 -15.474 -7.205 181 1HB SER 25 2HB SER 25 -4.322 -14.422 -9.015 182 2HB SER 25 1HB SER 25 -2.852 -15.236 -9.551 183 HG SER 25 HG SER 25 -4.932 -16.322 -7.941 184 H LEU 26 H LEU 26 -0.784 -14.350 -8.839 185 HA LEU 26 HA LEU 26 0.320 -12.040 -7.849 186 1HB LEU 26 2HB LEU 26 1.414 -13.544 -9.434 187 2HB LEU 26 1HB LEU 26 0.338 -13.008 -10.707 188 HG LEU 26 HG LEU 26 1.303 -10.721 -10.503 189 1HD1 LEU 26 1HD1 LEU 26 3.259 -12.082 -8.656 190 2HD1 LEU 26 2HD1 LEU 26 2.078 -10.855 -8.197 191 3HD1 LEU 26 3HD1 LEU 26 3.403 -10.440 -9.284 192 1HD2 LEU 26 1HD2 LEU 26 2.101 -12.243 -12.218 193 2HD2 LEU 26 2HD2 LEU 26 3.248 -12.951 -11.080 194 3HD2 LEU 26 3HD2 LEU 26 3.436 -11.275 -11.592 195 H GLN 27 H GLN 27 -1.956 -12.259 -10.590 196 HA GLN 27 HA GLN 27 -1.987 -9.478 -11.103 197 1HB GLN 27 2HB GLN 27 -2.744 -11.202 -12.717 198 2HB GLN 27 1HB GLN 27 -4.159 -11.489 -11.713 199 1HG GLN 27 2HG GLN 27 -4.672 -10.052 -13.627 200 2HG GLN 27 1HG GLN 27 -4.926 -9.221 -12.095 201 1HE2 GLN 27 1HE2 GLN 27 -3.604 -7.517 -11.526 202 2HE2 GLN 27 2HE2 GLN 27 -2.522 -6.757 -12.643 203 H GLN 28 H GLN 28 -3.831 -11.507 -8.927 204 HA GLN 28 HA GLN 28 -5.826 -9.605 -8.260 205 1HB GLN 28 2HB GLN 28 -6.101 -12.001 -7.809 206 2HB GLN 28 1HB GLN 28 -4.758 -11.956 -6.678 207 1HG GLN 28 2HG GLN 28 -6.852 -11.983 -5.486 208 2HG GLN 28 1HG GLN 28 -6.032 -10.444 -5.236 209 1HE2 GLN 28 1HE2 GLN 28 -7.946 -9.438 -4.660 210 2HE2 GLN 28 2HE2 GLN 28 -9.158 -9.027 -5.831 211 H ILE 29 H ILE 29 -2.637 -10.377 -6.951 212 HA ILE 29 HA ILE 29 -2.672 -8.693 -4.703 213 HB ILE 29 HB ILE 29 -0.256 -9.230 -6.450 214 1HG1 ILE 29 2HG1 ILE 29 -1.325 -11.356 -5.865 215 2HG1 ILE 29 1HG1 ILE 29 0.197 -11.167 -5.001 216 1HG2 ILE 29 1HG2 ILE 29 1.001 -8.927 -4.351 217 2HG2 ILE 29 2HG2 ILE 29 -0.510 -8.536 -3.526 218 3HG2 ILE 29 3HG2 ILE 29 0.090 -7.484 -4.807 219 1HD1 ILE 29 1HD1 ILE 29 -1.068 -10.473 -3.004 220 2HD1 ILE 29 2HD1 ILE 29 -1.459 -12.107 -3.542 221 3HD1 ILE 29 3HD1 ILE 29 -2.567 -10.777 -3.883 222 H ALA 30 H ALA 30 -1.404 -8.075 -7.979 223 HA ALA 30 HA ALA 30 -0.816 -5.353 -7.588 224 1HB ALA 30 1HB ALA 30 -0.729 -5.207 -10.033 225 2HB ALA 30 2HB ALA 30 -1.501 -6.790 -10.152 226 3HB ALA 30 3HB ALA 30 0.105 -6.644 -9.440 227 H ASN 31 H ASN 31 -3.762 -7.009 -8.365 228 HA ASN 31 HA ASN 31 -5.237 -4.817 -9.379 229 1HB ASN 31 2HB ASN 31 -5.678 -7.474 -9.263 230 2HB ASN 31 1HB ASN 31 -6.666 -6.960 -7.900 231 1HD2 ASN 31 1HD2 ASN 31 -7.495 -8.124 -10.411 232 2HD2 ASN 31 2HD2 ASN 31 -8.562 -6.978 -11.155 233 H ASP 32 H ASP 32 -4.996 -6.266 -6.139 234 HA ASP 32 HA ASP 32 -6.805 -4.437 -4.918 235 1HB ASP 32 2HB ASP 32 -6.293 -6.644 -3.924 236 2HB ASP 32 1HB ASP 32 -4.644 -6.111 -3.614 237 H LEU 33 H LEU 33 -3.290 -4.547 -5.239 238 HA LEU 33 HA LEU 33 -2.821 -2.227 -3.660 239 1HB LEU 33 2HB LEU 33 -1.200 -3.872 -5.546 240 2HB LEU 33 1HB LEU 33 -0.613 -2.279 -5.115 241 HG LEU 33 HG LEU 33 0.416 -3.990 -3.725 242 1HD1 LEU 33 1HD1 LEU 33 -1.535 -2.274 -2.201 243 2HD1 LEU 33 2HD1 LEU 33 0.077 -1.803 -2.743 244 3HD1 LEU 33 3HD1 LEU 33 -0.110 -3.059 -1.519 245 1HD2 LEU 33 1HD2 LEU 33 -1.383 -5.654 -3.803 246 2HD2 LEU 33 2HD2 LEU 33 -2.366 -4.627 -2.759 247 3HD2 LEU 33 3HD2 LEU 33 -0.863 -5.320 -2.151 248 H GLY 34 H GLY 34 -3.970 -2.709 -6.826 249 1HA GLY 34 2HA GLY 34 -4.782 -1.178 -8.340 250 2HA GLY 34 1HA GLY 34 -4.399 0.089 -7.184 251 H ILE 35 H ILE 35 -2.247 -2.272 -8.711 252 HA ILE 35 HA ILE 35 -0.877 -0.083 -10.105 253 HB ILE 35 HB ILE 35 1.302 -1.164 -9.504 254 1HG1 ILE 35 2HG1 ILE 35 -0.384 -2.601 -7.443 255 2HG1 ILE 35 1HG1 ILE 35 0.389 -3.351 -8.832 256 1HG2 ILE 35 1HG2 ILE 35 -0.303 -0.047 -7.216 257 2HG2 ILE 35 2HG2 ILE 35 0.569 0.886 -8.430 258 3HG2 ILE 35 3HG2 ILE 35 1.457 -0.130 -7.295 259 1HD1 ILE 35 1HD1 ILE 35 1.790 -2.024 -6.529 260 2HD1 ILE 35 2HD1 ILE 35 2.578 -2.739 -7.936 261 3HD1 ILE 35 3HD1 ILE 35 1.663 -3.757 -6.825 262 H ASN 36 H ASN 36 0.476 -0.795 -11.856 263 HA ASN 36 HA ASN 36 -0.534 -2.839 -13.474 264 1HB ASN 36 2HB ASN 36 0.863 -0.828 -14.134 265 2HB ASN 36 1HB ASN 36 2.264 -1.700 -13.541 266 1HD2 ASN 36 1HD2 ASN 36 1.571 -0.698 -16.185 267 2HD2 ASN 36 2HD2 ASN 36 1.677 -2.058 -17.244 268 H ARG 37 H ARG 37 0.169 -4.906 -13.887 269 HA ARG 37 HA ARG 37 1.161 -6.471 -11.794 270 1HB ARG 37 2HB ARG 37 -0.153 -7.315 -13.744 271 2HB ARG 37 1HB ARG 37 1.272 -7.101 -14.750 272 1HG ARG 37 2HG ARG 37 2.453 -8.666 -13.121 273 2HG ARG 37 1HG ARG 37 0.842 -9.052 -12.514 274 1HD ARG 37 2HD ARG 37 1.785 -9.365 -15.361 275 2HD ARG 37 1HD ARG 37 1.593 -10.666 -14.189 276 HE ARG 37 HE ARG 37 -0.795 -9.108 -14.708 277 1HH1 ARG 37 1HH1 ARG 37 1.100 -11.930 -15.542 278 2HH1 ARG 37 2HH1 ARG 37 -0.227 -12.763 -16.299 279 1HH2 ARG 37 1HH2 ARG 37 -2.545 -10.188 -15.714 280 2HH2 ARG 37 2HH2 ARG 37 -2.295 -11.770 -16.387 281 H VAL 38 H VAL 38 2.756 -4.957 -14.537 282 HA VAL 38 HA VAL 38 5.305 -6.125 -14.223 283 HB VAL 38 HB VAL 38 4.648 -3.403 -15.368 284 1HG1 VAL 38 1HG1 VAL 38 7.003 -5.233 -15.823 285 2HG1 VAL 38 2HG1 VAL 38 7.020 -3.712 -14.930 286 3HG1 VAL 38 3HG1 VAL 38 6.706 -3.712 -16.667 287 1HG2 VAL 38 1HG2 VAL 38 3.310 -5.088 -16.467 288 2HG2 VAL 38 2HG2 VAL 38 4.727 -6.108 -16.702 289 3HG2 VAL 38 3HG2 VAL 38 4.599 -4.568 -17.552 290 H THR 39 H THR 39 3.857 -3.158 -12.943 291 HA THR 39 HA THR 39 6.156 -2.151 -11.673 292 HB THR 39 HB THR 39 3.303 -1.727 -10.768 293 HG1 THR 39 1HG THR 39 4.259 0.179 -12.437 294 1HG2 THR 39 1HG2 THR 39 5.749 0.050 -10.670 295 2HG2 THR 39 2HG2 THR 39 5.045 -0.803 -9.298 296 3HG2 THR 39 3HG2 THR 39 4.136 0.481 -10.094 297 H LEU 40 H LEU 40 3.515 -4.217 -10.509 298 HA LEU 40 HA LEU 40 4.314 -4.486 -7.848 299 1HB LEU 40 2HB LEU 40 2.159 -5.273 -8.656 300 2HB LEU 40 1HB LEU 40 2.944 -6.467 -9.671 301 HG LEU 40 HG LEU 40 3.827 -7.549 -7.589 302 1HD1 LEU 40 1HD1 LEU 40 1.891 -5.684 -6.234 303 2HD1 LEU 40 2HD1 LEU 40 3.651 -5.631 -6.102 304 3HD1 LEU 40 3HD1 LEU 40 2.760 -7.018 -5.471 305 1HD2 LEU 40 1HD2 LEU 40 0.834 -7.356 -7.853 306 2HD2 LEU 40 2HD2 LEU 40 1.719 -8.634 -7.018 307 3HD2 LEU 40 3HD2 LEU 40 1.894 -8.433 -8.762 308 H LYS 41 H LYS 41 5.124 -6.464 -10.679 309 HA LYS 41 HA LYS 41 6.701 -8.367 -9.363 310 1HB LYS 41 2HB LYS 41 5.785 -8.469 -11.716 311 2HB LYS 41 1HB LYS 41 7.106 -7.416 -12.196 312 1HG LYS 41 2HG LYS 41 8.727 -9.067 -11.510 313 2HG LYS 41 1HG LYS 41 7.443 -10.114 -10.903 314 1HD LYS 41 2HD LYS 41 6.529 -10.289 -13.169 315 2HD LYS 41 1HD LYS 41 7.825 -9.257 -13.771 316 1HE LYS 41 2HE LYS 41 9.483 -10.889 -13.161 317 2HE LYS 41 1HE LYS 41 8.266 -11.893 -12.375 318 1HZ LYS 41 1HZ LYS 41 8.222 -11.239 -15.271 319 2HZ LYS 41 2HZ LYS 41 7.287 -12.398 -14.455 320 3HZ LYS 41 3HZ LYS 41 8.956 -12.631 -14.638 321 H ASN 42 H ASN 42 7.552 -5.313 -10.894 322 HA ASN 42 HA ASN 42 10.317 -5.382 -10.655 323 1HB ASN 42 2HB ASN 42 8.295 -3.219 -10.807 324 2HB ASN 42 1HB ASN 42 9.887 -2.760 -10.211 325 1HD2 ASN 42 1HD2 ASN 42 8.069 -3.948 -12.930 326 2HD2 ASN 42 2HD2 ASN 42 9.301 -3.675 -14.116 327 H TRP 43 H TRP 43 7.908 -4.579 -8.208 328 HA TRP 43 HA TRP 43 9.865 -3.788 -6.263 329 1HB TRP 43 2HB TRP 43 6.957 -4.559 -5.916 330 2HB TRP 43 1HB TRP 43 7.974 -3.860 -4.661 331 HD1 TRP 43 HD TRP 43 9.176 -1.875 -7.258 332 HE1 TRP 43 1HE TRP 43 7.814 0.275 -7.645 333 HE3 TRP 43 3HE TRP 43 4.909 -3.175 -4.781 334 HZ2 TRP 43 2HZ TRP 43 5.261 1.285 -6.973 335 HZ3 TRP 43 3HZ TRP 43 3.059 -1.565 -4.691 336 HH2 TRP 43 HH TRP 43 3.230 0.620 -5.765 337 H ILE 44 H ILE 44 7.946 -6.694 -6.890 338 HA ILE 44 HA ILE 44 8.767 -8.195 -4.679 339 HB ILE 44 HB ILE 44 8.012 -9.189 -7.434 340 1HG1 ILE 44 2HG1 ILE 44 6.340 -8.828 -4.936 341 2HG1 ILE 44 1HG1 ILE 44 6.289 -7.785 -6.355 342 1HG2 ILE 44 1HG2 ILE 44 7.471 -11.305 -6.317 343 2HG2 ILE 44 2HG2 ILE 44 8.109 -10.662 -4.805 344 3HG2 ILE 44 3HG2 ILE 44 9.184 -10.909 -6.180 345 1HD1 ILE 44 1HD1 ILE 44 5.515 -10.690 -6.244 346 2HD1 ILE 44 2HD1 ILE 44 5.514 -9.688 -7.696 347 3HD1 ILE 44 3HD1 ILE 44 4.425 -9.309 -6.360 348 H ILE 45 H ILE 45 10.188 -7.916 -7.921 349 HA ILE 45 HA ILE 45 12.254 -9.789 -7.588 350 HB ILE 45 HB ILE 45 12.163 -7.309 -9.325 351 1HG1 ILE 45 2HG1 ILE 45 11.687 -10.226 -9.988 352 2HG1 ILE 45 1HG1 ILE 45 10.423 -9.023 -9.774 353 1HG2 ILE 45 1HG2 ILE 45 14.070 -9.641 -9.416 354 2HG2 ILE 45 2HG2 ILE 45 14.468 -7.989 -8.948 355 3HG2 ILE 45 3HG2 ILE 45 13.984 -8.344 -10.607 356 1HD1 ILE 45 1HD1 ILE 45 10.829 -9.407 -12.124 357 2HD1 ILE 45 2HD1 ILE 45 12.536 -9.021 -11.909 358 3HD1 ILE 45 3HD1 ILE 45 11.318 -7.768 -11.686 359 H LYS 46 H LYS 46 12.273 -6.251 -7.095 360 HA LYS 46 HA LYS 46 15.004 -6.168 -6.353 361 1HB LYS 46 2HB LYS 46 13.840 -4.178 -7.187 362 2HB LYS 46 1HB LYS 46 12.827 -4.163 -5.748 363 1HG LYS 46 2HG LYS 46 14.905 -3.911 -4.381 364 2HG LYS 46 1HG LYS 46 15.801 -3.717 -5.886 365 1HD LYS 46 2HD LYS 46 14.458 -1.753 -6.433 366 2HD LYS 46 1HD LYS 46 13.549 -1.948 -4.933 367 1HE LYS 46 2HE LYS 46 15.639 -1.664 -3.655 368 2HE LYS 46 1HE LYS 46 16.516 -1.425 -5.165 369 1HZ LYS 46 1HZ LYS 46 14.416 0.328 -4.020 370 2HZ LYS 46 2HZ LYS 46 15.044 0.508 -5.586 371 3HZ LYS 46 3HZ LYS 46 16.056 0.697 -4.238 372 H TYR 47 H TYR 47 12.037 -6.002 -4.363 373 HA TYR 47 HA TYR 47 13.606 -5.763 -1.969 374 1HB TYR 47 2HB TYR 47 10.635 -6.025 -2.436 375 2HB TYR 47 1HB TYR 47 11.351 -5.864 -0.833 376 HD1 TYR 47 1HD TYR 47 12.024 -3.756 -0.001 377 HD2 TYR 47 2HD TYR 47 10.958 -4.150 -4.100 378 HE1 TYR 47 1HE TYR 47 12.087 -1.310 -0.246 379 HE2 TYR 47 2HE TYR 47 11.022 -1.708 -4.358 380 HH TYR 47 HH TYR 47 12.423 0.357 -2.099 381 H GLY 48 H GLY 48 11.958 -8.368 -3.637 382 1HA GLY 48 2HA GLY 48 12.139 -10.251 -1.516 383 2HA GLY 48 1HA GLY 48 11.940 -10.634 -3.223 384 H SER 49 H SER 49 14.304 -9.434 -4.198 385 HA SER 49 HA SER 49 16.206 -11.475 -3.400 386 1HB SER 49 2HB SER 49 16.557 -9.363 -5.530 387 2HB SER 49 1HB SER 49 17.429 -10.886 -5.371 388 HG SER 49 HG SER 49 14.847 -10.385 -6.315 389 H ASN 50 H ASN 50 15.653 -8.134 -2.887 390 HA ASN 50 HA ASN 50 16.709 -6.485 -1.774 391 1HB ASN 50 2HB ASN 50 17.139 -8.141 -0.006 392 2HB ASN 50 1HB ASN 50 18.614 -8.639 -0.829 393 1HD2 ASN 50 1HD2 ASN 50 17.072 -6.116 1.022 394 2HD2 ASN 50 2HD2 ASN 50 18.520 -5.254 1.418 395 H HIS 51 H HIS 51 19.667 -8.335 -2.383 396 HA HIS 51 HA HIS 51 20.239 -6.667 -4.714 397 1HB HIS 51 2HB HIS 51 21.221 -5.608 -2.602 398 2HB HIS 51 1HB HIS 51 22.283 -7.008 -2.508 399 HD1 HIS 51 1HD HIS 51 21.521 -4.062 -4.755 400 HD2 HIS 51 2HD HIS 51 24.524 -6.872 -4.105 401 HE1 HIS 51 1HE HIS 51 23.451 -3.339 -6.192 402 HE2 HIS 51 2HE HIS 51 25.298 -4.968 -5.687 403 H ASN 52 H ASN 52 19.829 -9.587 -3.538 404 HA ASN 52 HA ASN 52 22.303 -10.834 -4.430 405 1HB ASN 52 2HB ASN 52 21.124 -11.454 -2.265 406 2HB ASN 52 1HB ASN 52 19.873 -12.195 -3.258 407 1HD2 ASN 52 1HD2 ASN 52 21.589 -13.445 -1.325 408 2HD2 ASN 52 2HD2 ASN 52 22.489 -14.664 -2.172 409 H VAL 53 H VAL 53 21.728 -10.110 -6.681 410 HA VAL 53 HA VAL 53 19.861 -11.850 -8.041 411 HB VAL 53 HB VAL 53 20.860 -10.822 -10.145 412 1HG1 VAL 53 1HG1 VAL 53 18.753 -10.093 -9.146 413 2HG1 VAL 53 2HG1 VAL 53 19.630 -8.742 -9.861 414 3HG1 VAL 53 3HG1 VAL 53 19.630 -8.967 -8.111 415 1HG2 VAL 53 1HG2 VAL 53 22.109 -8.744 -9.875 416 2HG2 VAL 53 2HG2 VAL 53 22.998 -10.109 -9.205 417 3HG2 VAL 53 3HG2 VAL 53 22.159 -8.990 -8.128 418 H GLN 54 H GLN 54 23.399 -11.411 -8.046 419 HA GLN 54 HA GLN 54 23.658 -14.271 -8.703 420 1HB GLN 54 2HB GLN 54 25.154 -11.920 -9.843 421 2HB GLN 54 1HB GLN 54 25.899 -13.508 -9.783 422 1HG GLN 54 2HG GLN 54 25.040 -13.492 -11.902 423 2HG GLN 54 1HG GLN 54 23.737 -14.273 -11.014 424 1HE2 GLN 54 1HE2 GLN 54 24.770 -11.403 -12.665 425 2HE2 GLN 54 2HE2 GLN 54 23.205 -10.664 -12.789 426 H GLY 55 H GLY 55 23.658 -12.710 -6.170 427 1HA GLY 55 2HA GLY 55 26.397 -12.549 -5.293 428 2HA GLY 55 1HA GLY 55 24.968 -12.261 -4.314 429 H THR 56 H THR 56 27.200 -14.614 -5.483 430 HA THR 56 HA THR 56 26.430 -16.458 -3.385 431 HB THR 56 HB THR 56 26.945 -17.615 -6.060 432 HG1 THR 56 1HG THR 56 25.114 -16.852 -6.803 433 1HG2 THR 56 1HG2 THR 56 26.927 -19.064 -4.098 434 2HG2 THR 56 2HG2 THR 56 25.584 -19.450 -5.173 435 3HG2 THR 56 3HG2 THR 56 25.299 -18.515 -3.706 436 H THR 57 H THR 57 28.246 -16.410 -2.351 437 HA THR 57 HA THR 57 30.807 -16.104 -3.553 438 HB THR 57 HB THR 57 31.609 -16.519 -1.179 439 HG1 THR 57 1HG THR 57 29.971 -16.539 0.418 440 1HG2 THR 57 1HG2 THR 57 31.246 -14.269 -2.076 441 2HG2 THR 57 2HG2 THR 57 30.788 -14.350 -0.375 442 3HG2 THR 57 3HG2 THR 57 29.543 -14.358 -1.624 443 HA PRO 58 HA PRO 58 31.988 -20.294 -4.200 444 1HB PRO 58 2HB PRO 58 34.643 -20.231 -3.655 445 2HB PRO 58 1HB PRO 58 33.942 -19.474 -5.090 446 1HG PRO 58 2HG PRO 58 34.747 -18.226 -2.492 447 2HG PRO 58 1HG PRO 58 35.019 -17.645 -4.146 448 1HD PRO 58 2HD PRO 58 33.035 -16.684 -2.570 449 2HD PRO 58 1HD PRO 58 32.888 -16.793 -4.336 450 H SER 59 H SER 59 31.634 -19.147 -1.166 451 HA SER 59 HA SER 59 33.028 -21.029 0.423 452 1HB SER 59 2HB SER 59 30.463 -19.553 1.049 453 2HB SER 59 1HB SER 59 31.548 -20.306 2.221 454 HG SER 59 HG SER 59 31.684 -17.874 1.560 455 H ALA 60 H ALA 60 30.194 -21.207 -1.499 456 HA ALA 60 HA ALA 60 29.087 -23.542 -0.231 457 1HB ALA 60 1HB ALA 60 27.546 -23.584 -2.122 458 2HB ALA 60 2HB ALA 60 28.495 -22.343 -2.939 459 3HB ALA 60 3HB ALA 60 27.652 -21.961 -1.436 460 H ALA 61 H ALA 61 31.598 -22.917 -2.444 461 HA ALA 61 HA ALA 61 31.387 -25.448 -3.838 462 1HB ALA 61 1HB ALA 61 33.527 -23.334 -4.048 463 2HB ALA 61 2HB ALA 61 32.072 -23.413 -5.041 464 3HB ALA 61 3HB ALA 61 33.280 -24.694 -5.146 465 H VAL 62 H VAL 62 32.440 -24.700 -0.869 466 HA VAL 62 HA VAL 62 34.977 -25.946 -0.717 467 HB VAL 62 HB VAL 62 32.906 -25.601 1.463 468 1HG1 VAL 62 1HG1 VAL 62 35.856 -26.196 1.692 469 2HG1 VAL 62 2HG1 VAL 62 34.554 -27.347 1.991 470 3HG1 VAL 62 3HG1 VAL 62 34.739 -25.934 3.034 471 1HG2 VAL 62 1HG2 VAL 62 34.239 -23.658 2.121 472 2HG2 VAL 62 2HG2 VAL 62 33.627 -23.488 0.474 473 3HG2 VAL 62 3HG2 VAL 62 35.312 -23.932 0.748 474 H SER 63 H SER 63 31.690 -27.121 -0.323 475 HA SER 63 HA SER 63 32.368 -29.792 0.344 476 1HB SER 63 2HB SER 63 29.843 -28.752 -0.971 477 2HB SER 63 1HB SER 63 30.024 -30.266 -0.083 478 HG SER 63 HG SER 63 30.362 -29.093 1.797 479 H GLU 64 H GLU 64 32.050 -28.022 -2.625 480 HA GLU 64 HA GLU 64 31.937 -30.256 -4.375 481 1HB GLU 64 2HB GLU 64 31.729 -27.466 -4.573 482 2HB GLU 64 1HB GLU 64 33.111 -27.905 -5.558 483 1HG GLU 64 2HG GLU 64 31.279 -27.922 -7.018 484 2HG GLU 64 1HG GLU 64 31.591 -29.619 -6.658 485 H ALA 65 H ALA 65 34.466 -28.309 -2.986 486 HA ALA 65 HA ALA 65 36.602 -29.054 -4.621 487 1HB ALA 65 1HB ALA 65 38.045 -28.252 -2.852 488 2HB ALA 65 2HB ALA 65 36.708 -28.305 -1.703 489 3HB ALA 65 3HB ALA 65 36.669 -27.167 -3.051 490 H GLU 66 H GLU 66 35.227 -30.610 -1.787 491 HA GLU 66 HA GLU 66 37.251 -32.455 -1.242 492 1HB GLU 66 2HB GLU 66 35.300 -31.990 0.225 493 2HB GLU 66 1HB GLU 66 34.268 -32.842 -0.913 494 1HG GLU 66 2HG GLU 66 35.462 -34.910 -0.501 495 2HG GLU 66 1HG GLU 66 36.575 -34.075 0.581 496 H GLN 67 H GLN 67 34.410 -32.769 -3.351 497 HA GLN 67 HA GLN 67 35.150 -35.430 -4.148 498 1HB GLN 67 2HB GLN 67 33.186 -35.261 -5.647 499 2HB GLN 67 1HB GLN 67 32.809 -34.879 -3.973 500 1HG GLN 67 2HG GLN 67 33.079 -32.448 -4.606 501 2HG GLN 67 1HG GLN 67 33.090 -32.986 -6.286 502 1HE2 GLN 67 1HE2 GLN 67 31.215 -32.589 -3.404 503 2HE2 GLN 67 2HE2 GLN 67 29.665 -32.829 -4.134 504 H ILE 68 H ILE 68 35.435 -32.184 -5.495 505 HA ILE 68 HA ILE 68 36.188 -32.976 -8.105 506 HB ILE 68 HB ILE 68 36.700 -30.434 -6.557 507 1HG1 ILE 68 2HG1 ILE 68 34.822 -31.070 -8.849 508 2HG1 ILE 68 1HG1 ILE 68 34.361 -30.923 -7.158 509 1HG2 ILE 68 1HG2 ILE 68 38.489 -30.683 -8.186 510 2HG2 ILE 68 2HG2 ILE 68 37.380 -29.401 -8.676 511 3HG2 ILE 68 3HG2 ILE 68 37.310 -30.978 -9.462 512 1HD1 ILE 68 1HD1 ILE 68 34.987 -28.582 -7.169 513 2HD1 ILE 68 2HD1 ILE 68 33.803 -28.924 -8.431 514 3HD1 ILE 68 3HD1 ILE 68 35.505 -28.715 -8.849 515 H ARG 69 H ARG 69 38.038 -32.337 -5.171 516 HA ARG 69 HA ARG 69 40.626 -32.421 -6.164 517 1HB ARG 69 2HB ARG 69 40.172 -31.812 -3.883 518 2HB ARG 69 1HB ARG 69 39.514 -33.402 -3.535 519 1HG ARG 69 2HG ARG 69 41.730 -34.391 -3.833 520 2HG ARG 69 1HG ARG 69 42.393 -32.794 -4.194 521 1HD ARG 69 2HD ARG 69 41.884 -32.010 -2.000 522 2HD ARG 69 1HD ARG 69 40.968 -33.469 -1.632 523 HE ARG 69 HE ARG 69 43.662 -34.101 -2.276 524 1HH1 ARG 69 1HH1 ARG 69 41.672 -32.745 0.268 525 2HH1 ARG 69 2HH1 ARG 69 42.714 -33.294 1.544 526 1HH2 ARG 69 1HH2 ARG 69 45.023 -34.842 -0.626 527 2HH2 ARG 69 2HH2 ARG 69 44.637 -34.492 1.039 528 H GLN 70 H GLN 70 38.499 -35.091 -5.289 529 HA GLN 70 HA GLN 70 40.411 -37.128 -5.866 530 1HB GLN 70 2HB GLN 70 38.473 -37.346 -4.290 531 2HB GLN 70 1HB GLN 70 37.413 -37.337 -5.682 532 1HG GLN 70 2HG GLN 70 38.400 -39.357 -6.513 533 2HG GLN 70 1HG GLN 70 39.575 -39.359 -5.200 534 1HE2 GLN 70 1HE2 GLN 70 37.593 -41.394 -5.924 535 2HE2 GLN 70 2HE2 GLN 70 36.598 -41.593 -4.516 536 H LEU 71 H LEU 71 37.545 -35.839 -7.431 537 HA LEU 71 HA LEU 71 37.271 -37.495 -9.590 538 1HB LEU 71 2HB LEU 71 35.848 -35.509 -8.793 539 2HB LEU 71 1HB LEU 71 36.871 -34.525 -9.816 540 HG LEU 71 HG LEU 71 35.334 -36.875 -10.905 541 1HD1 LEU 71 1HD1 LEU 71 33.731 -35.395 -9.841 542 2HD1 LEU 71 2HD1 LEU 71 33.613 -35.268 -11.596 543 3HD1 LEU 71 3HD1 LEU 71 34.432 -34.007 -10.673 544 1HD2 LEU 71 1HD2 LEU 71 37.109 -36.034 -12.331 545 2HD2 LEU 71 2HD2 LEU 71 36.491 -34.392 -12.171 546 3HD2 LEU 71 3HD2 LEU 71 35.539 -35.613 -13.012 547 H LYS 72 H LYS 72 39.345 -34.574 -9.484 548 HA LYS 72 HA LYS 72 40.162 -35.008 -12.220 549 1HB LYS 72 2HB LYS 72 41.666 -33.030 -11.816 550 2HB LYS 72 1HB LYS 72 39.949 -32.733 -11.618 551 1HG LYS 72 2HG LYS 72 41.053 -31.578 -9.883 552 2HG LYS 72 1HG LYS 72 40.284 -32.978 -9.142 553 1HD LYS 72 2HD LYS 72 42.411 -32.859 -8.163 554 2HD LYS 72 1HD LYS 72 42.538 -34.138 -9.366 555 1HE LYS 72 2HE LYS 72 43.413 -31.287 -9.820 556 2HE LYS 72 1HE LYS 72 44.488 -32.572 -9.280 557 1HZ LYS 72 1HZ LYS 72 43.175 -32.239 -11.900 558 2HZ LYS 72 2HZ LYS 72 43.683 -33.772 -11.390 559 3HZ LYS 72 3HZ LYS 72 44.811 -32.516 -11.552 560 H LYS 73 H LYS 73 40.991 -36.650 -9.601 561 HA LYS 73 HA LYS 73 43.830 -36.890 -10.374 562 1HB LYS 73 2HB LYS 73 43.666 -35.938 -8.164 563 2HB LYS 73 1HB LYS 73 42.525 -37.176 -7.661 564 1HG LYS 73 2HG LYS 73 44.287 -38.868 -7.900 565 2HG LYS 73 1HG LYS 73 45.427 -37.594 -8.339 566 1HD LYS 73 2HD LYS 73 45.138 -36.540 -6.181 567 2HD LYS 73 1HD LYS 73 43.897 -37.716 -5.743 568 1HE LYS 73 2HE LYS 73 46.093 -38.215 -4.732 569 2HE LYS 73 1HE LYS 73 45.510 -39.503 -5.783 570 1HZ LYS 73 1HZ LYS 73 47.439 -37.418 -6.640 571 2HZ LYS 73 2HZ LYS 73 46.987 -38.810 -7.495 572 3HZ LYS 73 3HZ LYS 73 47.893 -38.949 -6.068 573 H GLU 74 H GLU 74 40.839 -38.485 -9.723 574 HA GLU 74 HA GLU 74 41.912 -41.103 -9.347 575 1HB GLU 74 2HB GLU 74 39.754 -40.244 -8.394 576 2HB GLU 74 1HB GLU 74 39.075 -40.310 -10.012 577 1HG GLU 74 2HG GLU 74 39.332 -42.688 -10.087 578 2HG GLU 74 1HG GLU 74 40.195 -42.683 -8.548 579 H ASN 75 H ASN 75 41.494 -42.930 -10.734 580 HA ASN 75 HA ASN 75 41.218 -42.281 -13.578 581 1HB ASN 75 2HB ASN 75 43.112 -43.770 -14.107 582 2HB ASN 75 1HB ASN 75 43.619 -42.394 -13.136 583 1HD2 ASN 75 1HD2 ASN 75 44.399 -42.730 -11.087 584 2HD2 ASN 75 2HD2 ASN 75 44.710 -44.307 -10.440 585 H ALA 76 H ALA 76 40.921 -44.281 -14.904 586 HA ALA 76 HA ALA 76 38.773 -45.770 -13.838 587 1HB ALA 76 1HB ALA 76 40.255 -46.224 -16.414 588 2HB ALA 76 2HB ALA 76 38.920 -45.092 -16.198 589 3HB ALA 76 3HB ALA 76 38.648 -46.823 -16.006 590 H LEU 77 H LEU 77 42.169 -46.398 -14.078 591 HA LEU 77 HA LEU 77 42.127 -49.203 -14.138 592 1HB LEU 77 2HB LEU 77 44.210 -47.323 -13.033 593 2HB LEU 77 1HB LEU 77 44.456 -49.030 -13.323 594 HG LEU 77 HG LEU 77 43.857 -46.967 -15.440 595 1HD1 LEU 77 1HD1 LEU 77 46.102 -46.756 -14.487 596 2HD1 LEU 77 2HD1 LEU 77 46.153 -47.338 -16.150 597 3HD1 LEU 77 3HD1 LEU 77 46.398 -48.464 -14.816 598 1HD2 LEU 77 1HD2 LEU 77 44.524 -49.900 -15.696 599 2HD2 LEU 77 2HD2 LEU 77 44.309 -48.763 -17.025 600 3HD2 LEU 77 3HD2 LEU 77 42.944 -49.173 -15.988 601 H GLN 78 H GLN 78 42.104 -46.910 -11.446 602 HA GLN 78 HA GLN 78 42.183 -49.026 -9.490 603 1HB GLN 78 2HB GLN 78 42.065 -46.059 -9.399 604 2HB GLN 78 1HB GLN 78 41.425 -46.925 -8.010 605 1HG GLN 78 2HG GLN 78 43.714 -46.352 -7.599 606 2HG GLN 78 1HG GLN 78 43.582 -48.097 -7.781 607 1HE2 GLN 78 1HE2 GLN 78 44.517 -49.094 -9.582 608 2HE2 GLN 78 2HE2 GLN 78 45.656 -48.273 -10.595 609 H ARG 79 H ARG 79 39.737 -47.206 -11.167 610 HA ARG 79 HA ARG 79 37.622 -47.802 -9.343 611 1HB ARG 79 2HB ARG 79 37.782 -46.561 -12.044 612 2HB ARG 79 1HB ARG 79 36.222 -47.132 -11.468 613 1HG ARG 79 2HG ARG 79 37.999 -45.144 -10.075 614 2HG ARG 79 1HG ARG 79 36.525 -44.775 -10.975 615 1HD ARG 79 2HD ARG 79 35.247 -46.182 -9.397 616 2HD ARG 79 1HD ARG 79 36.724 -46.457 -8.474 617 HE ARG 79 HE ARG 79 36.390 -43.699 -8.708 618 1HH1 ARG 79 1HH1 ARG 79 34.780 -46.418 -7.177 619 2HH1 ARG 79 2HH1 ARG 79 34.036 -45.444 -5.949 620 1HH2 ARG 79 1HH2 ARG 79 35.469 -42.439 -7.081 621 2HH2 ARG 79 2HH2 ARG 79 34.470 -43.166 -5.857 622 H ALA 80 H ALA 80 39.183 -49.620 -11.715 623 HA ALA 80 HA ALA 80 37.143 -51.242 -12.718 624 1HB ALA 80 1HB ALA 80 39.992 -52.033 -12.139 625 2HB ALA 80 2HB ALA 80 39.435 -51.212 -13.598 626 3HB ALA 80 3HB ALA 80 38.881 -52.849 -13.240 627 H ARG 81 H ARG 81 38.504 -51.102 -9.578 628 HA ARG 81 HA ARG 81 37.615 -53.740 -8.806 629 1HB ARG 81 2HB ARG 81 39.001 -51.498 -7.376 630 2HB ARG 81 1HB ARG 81 38.323 -52.851 -6.480 631 1HG ARG 81 2HG ARG 81 39.718 -54.400 -7.721 632 2HG ARG 81 1HG ARG 81 40.367 -53.071 -8.680 633 1HD ARG 81 2HD ARG 81 40.575 -52.942 -5.711 634 2HD ARG 81 1HD ARG 81 41.666 -54.007 -6.595 635 HE ARG 81 HE ARG 81 42.132 -51.844 -7.938 636 1HH1 ARG 81 1HH1 ARG 81 41.463 -51.973 -4.507 637 2HH1 ARG 81 2HH1 ARG 81 42.489 -50.631 -4.126 638 1HH2 ARG 81 1HH2 ARG 81 43.512 -50.110 -7.441 639 2HH2 ARG 81 2HH2 ARG 81 43.681 -49.576 -5.789 640 H THR 82 H THR 82 36.407 -50.521 -8.749 641 HA THR 82 HA THR 82 34.457 -50.884 -6.697 642 HB THR 82 HB THR 82 34.462 -48.822 -8.907 643 HG1 THR 82 1HG THR 82 35.554 -48.745 -6.262 644 1HG2 THR 82 1HG2 THR 82 33.108 -48.825 -6.205 645 2HG2 THR 82 2HG2 THR 82 32.301 -49.057 -7.756 646 3HG2 THR 82 3HG2 THR 82 33.070 -47.514 -7.386 647 H ARG 83 H ARG 83 33.590 -49.945 -9.960 648 HA ARG 83 HA ARG 83 31.536 -52.025 -9.942 649 1HB ARG 83 2HB ARG 83 31.807 -49.481 -11.518 650 2HB ARG 83 1HB ARG 83 30.589 -50.690 -11.859 651 1HG ARG 83 2HG ARG 83 30.841 -49.482 -9.130 652 2HG ARG 83 1HG ARG 83 29.932 -48.680 -10.410 653 1HD ARG 83 2HD ARG 83 28.495 -50.057 -8.959 654 2HD ARG 83 1HD ARG 83 28.477 -50.595 -10.637 655 HE ARG 83 HE ARG 83 30.173 -51.946 -8.639 656 1HH1 ARG 83 1HH1 ARG 83 27.574 -52.009 -10.987 657 2HH1 ARG 83 2HH1 ARG 83 27.457 -53.743 -11.022 658 1HH2 ARG 83 1HH2 ARG 83 30.022 -54.240 -8.649 659 2HH2 ARG 83 2HH2 ARG 83 28.843 -55.014 -9.671 660 H HIS 84 H HIS 84 31.983 -53.766 -10.998 661 HA HIS 84 HA HIS 84 33.986 -53.666 -13.150 662 1HB HIS 84 2HB HIS 84 34.712 -54.734 -10.972 663 2HB HIS 84 1HB HIS 84 33.503 -55.977 -11.261 664 HD1 HIS 84 1HD HIS 84 36.869 -54.830 -12.318 665 HD2 HIS 84 2HD HIS 84 34.143 -57.802 -13.310 666 HE1 HIS 84 1HE HIS 84 38.147 -56.476 -13.724 667 HE2 HIS 84 2HE HIS 84 36.544 -58.393 -14.067 668 HA PRO 85 HA PRO 85 30.398 -55.620 -15.134 669 1HB PRO 85 2HB PRO 85 30.342 -54.118 -17.334 670 2HB PRO 85 1HB PRO 85 29.763 -53.482 -15.791 671 1HG PRO 85 2HG PRO 85 32.293 -52.909 -17.241 672 2HG PRO 85 1HG PRO 85 31.326 -51.852 -16.202 673 1HD PRO 85 2HD PRO 85 33.650 -53.300 -15.469 674 2HD PRO 85 1HD PRO 85 32.562 -52.409 -14.389 675 H ALA 86 H ALA 86 30.284 -56.215 -17.664 676 HA ALA 86 HA ALA 86 32.859 -57.466 -18.354 677 1HB ALA 86 1HB ALA 86 31.072 -59.072 -17.859 678 2HB ALA 86 2HB ALA 86 31.601 -59.168 -19.537 679 3HB ALA 86 3HB ALA 86 30.083 -58.363 -19.137 680 H GLU 87 H GLU 87 33.794 -56.900 -20.203 681 HA GLU 87 HA GLU 87 32.902 -54.587 -21.550 682 1HB GLU 87 2HB GLU 87 35.040 -56.552 -22.371 683 2HB GLU 87 1HB GLU 87 34.850 -54.919 -22.989 684 1HG GLU 87 2HG GLU 87 35.366 -53.984 -20.846 685 2HG GLU 87 1HG GLU 87 35.393 -55.588 -20.113 686 H SER 88 H SER 88 33.316 -57.922 -22.768 687 HA SER 88 HA SER 88 32.183 -57.184 -25.295 688 1HB SER 88 2HB SER 88 33.978 -58.984 -24.823 689 2HB SER 88 1HB SER 88 32.609 -60.031 -24.434 690 HG SER 88 HG SER 88 32.616 -58.539 -26.828 691 H CYS 89 H CYS 89 30.917 -58.525 -22.358 692 HA CYS 89 HA CYS 89 28.545 -59.627 -23.419 693 1HB CYS 89 2HB CYS 89 29.118 -58.515 -20.672 694 2HB CYS 89 1HB CYS 89 27.640 -59.369 -21.101 695 HG CYS 89 HG CYS 89 30.773 -60.746 -21.304 696 H LEU 90 H LEU 90 29.526 -56.383 -22.817 697 HA LEU 90 HA LEU 90 26.984 -55.130 -22.908 698 1HB LEU 90 2HB LEU 90 28.966 -53.920 -22.182 699 2HB LEU 90 1HB LEU 90 29.711 -54.135 -23.755 700 HG LEU 90 HG LEU 90 27.918 -52.725 -24.752 701 1HD1 LEU 90 1HD1 LEU 90 26.204 -53.114 -23.037 702 2HD1 LEU 90 2HD1 LEU 90 26.494 -51.395 -23.302 703 3HD1 LEU 90 3HD1 LEU 90 27.165 -52.194 -21.880 704 1HD2 LEU 90 1HD2 LEU 90 29.514 -51.460 -22.531 705 2HD2 LEU 90 2HD2 LEU 90 28.781 -50.603 -23.885 706 3HD2 LEU 90 3HD2 LEU 90 30.074 -51.765 -24.173 707 H GLU 91 H GLU 91 29.244 -56.245 -25.344 708 HA GLU 91 HA GLU 91 27.716 -55.222 -27.570 709 1HB GLU 91 2HB GLU 91 29.825 -57.360 -27.730 710 2HB GLU 91 1HB GLU 91 29.393 -56.156 -28.933 711 1HG GLU 91 2HG GLU 91 30.451 -54.422 -27.688 712 2HG GLU 91 1HG GLU 91 30.702 -55.497 -26.309 713 H HIS 92 H HIS 92 28.512 -58.395 -26.221 714 HA HIS 92 HA HIS 92 26.453 -59.634 -27.907 715 1HB HIS 92 2HB HIS 92 28.669 -60.952 -26.312 716 2HB HIS 92 1HB HIS 92 27.569 -61.758 -27.422 717 HD1 HIS 92 1HD HIS 92 28.337 -61.967 -29.778 718 HD2 HIS 92 2HD HIS 92 30.454 -59.066 -27.683 719 HE1 HIS 92 1HE HIS 92 30.187 -61.226 -31.319 720 HE2 HIS 92 2HE HIS 92 31.296 -59.308 -30.111 721 H HIS 93 H HIS 93 24.969 -58.505 -26.272 722 HA HIS 93 HA HIS 93 24.720 -59.588 -23.678 723 1HB HIS 93 2HB HIS 93 22.489 -58.594 -23.613 724 2HB HIS 93 1HB HIS 93 23.653 -57.460 -24.282 725 HD1 HIS 93 1HD HIS 93 20.386 -57.817 -24.673 726 HD2 HIS 93 2HD HIS 93 23.449 -58.357 -27.441 727 HE1 HIS 93 1HE HIS 93 19.326 -57.508 -26.935 728 HE2 HIS 93 2HE HIS 93 21.171 -57.946 -28.600 729 H HIS 94 H HIS 94 24.013 -61.479 -23.008 730 HA HIS 94 HA HIS 94 23.617 -63.484 -25.021 731 1HB HIS 94 2HB HIS 94 23.594 -63.697 -22.004 732 2HB HIS 94 1HB HIS 94 23.607 -65.061 -23.116 733 HD1 HIS 94 1HD HIS 94 25.833 -65.677 -24.205 734 HD2 HIS 94 2HD HIS 94 26.041 -62.326 -21.750 735 HE1 HIS 94 1HE HIS 94 28.289 -65.211 -23.899 736 HE2 HIS 94 2HE HIS 94 28.375 -63.347 -22.208 737 H HIS 95 H HIS 95 21.890 -64.984 -25.126 738 HA HIS 95 HA HIS 95 19.415 -64.070 -23.814 739 1HB HIS 95 2HB HIS 95 18.103 -64.851 -25.620 740 2HB HIS 95 1HB HIS 95 19.448 -64.008 -26.374 741 HD1 HIS 95 1HD HIS 95 17.807 -67.313 -26.129 742 HD2 HIS 95 2HD HIS 95 21.313 -65.725 -27.699 743 HE1 HIS 95 1HE HIS 95 18.715 -69.079 -27.677 744 HE2 HIS 95 2HE HIS 95 20.702 -67.993 -28.792 745 H HIS 96 H HIS 96 18.630 -65.386 -22.310 746 HA HIS 96 HA HIS 96 19.749 -68.102 -22.180 747 1HB HIS 96 2HB HIS 96 20.193 -66.578 -20.247 748 2HB HIS 96 1HB HIS 96 18.456 -66.499 -19.961 749 HD1 HIS 96 1HD HIS 96 17.347 -68.511 -18.818 750 HD2 HIS 96 2HD HIS 96 21.405 -69.032 -19.591 751 HE1 HIS 96 1HE HIS 96 18.019 -70.586 -17.566 752 HE2 HIS 96 2HE HIS 96 20.445 -70.952 -18.151 753 H HIS 97 H HIS 97 18.420 -69.657 -22.833 754 HA HIS 97 HA HIS 97 15.553 -69.149 -22.892 755 1HB HIS 97 2HB HIS 97 16.841 -70.189 -24.838 756 2HB HIS 97 1HB HIS 97 16.972 -71.638 -23.847 757 HD1 HIS 97 1HD HIS 97 14.887 -70.100 -26.321 758 HD2 HIS 97 2HD HIS 97 14.260 -72.644 -23.093 759 HE1 HIS 97 1HE HIS 97 12.650 -71.178 -26.728 760 HE2 HIS 97 2HE HIS 97 12.400 -72.869 -24.877 Start of MODEL 16 1 1H MET 1 1HT MET 1 -2.724 15.792 -8.471 2 2H MET 1 2HT MET 1 -3.497 15.615 -6.979 3 3H MET 1 3HT MET 1 -2.273 14.533 -7.428 4 HA MET 1 HA MET 1 -1.877 17.436 -7.010 5 1HB MET 1 2HB MET 1 -1.380 15.081 -5.180 6 2HB MET 1 1HB MET 1 -0.620 16.648 -4.948 7 1HG MET 1 2HG MET 1 -2.534 16.427 -3.501 8 2HG MET 1 1HG MET 1 -2.829 17.677 -4.708 9 1HE MET 1 1HE MET 1 -5.418 17.583 -4.044 10 2HE MET 1 2HE MET 1 -5.085 16.299 -2.880 11 3HE MET 1 3HE MET 1 -6.377 16.101 -4.065 12 HA PRO 2 HA PRO 2 2.064 16.684 -8.973 13 1HB PRO 2 2HB PRO 2 3.635 18.453 -7.612 14 2HB PRO 2 1HB PRO 2 2.507 18.939 -8.882 15 1HG PRO 2 2HG PRO 2 2.166 19.030 -5.908 16 2HG PRO 2 1HG PRO 2 1.708 20.235 -7.124 17 1HD PRO 2 2HD PRO 2 -0.083 18.544 -6.022 18 2HD PRO 2 1HD PRO 2 -0.216 19.108 -7.701 19 H THR 3 H THR 3 1.643 16.538 -5.560 20 HA THR 3 HA THR 3 4.027 14.874 -5.238 21 HB THR 3 HB THR 3 3.286 15.160 -2.729 22 HG1 THR 3 1HG THR 3 1.389 16.270 -2.922 23 1HG2 THR 3 1HG2 THR 3 4.511 17.417 -4.319 24 2HG2 THR 3 2HG2 THR 3 5.369 16.019 -3.672 25 3HG2 THR 3 3HG2 THR 3 4.644 17.194 -2.576 26 H LYS 4 H LYS 4 3.671 12.777 -5.459 27 HA LYS 4 HA LYS 4 1.297 11.605 -4.179 28 1HB LYS 4 2HB LYS 4 1.289 11.835 -6.823 29 2HB LYS 4 1HB LYS 4 2.326 10.422 -6.736 30 1HG LYS 4 2HG LYS 4 -0.426 10.587 -5.521 31 2HG LYS 4 1HG LYS 4 -0.073 9.915 -7.112 32 1HD LYS 4 2HD LYS 4 1.367 8.225 -6.077 33 2HD LYS 4 1HD LYS 4 1.019 8.904 -4.487 34 1HE LYS 4 2HE LYS 4 -0.356 6.945 -4.874 35 2HE LYS 4 1HE LYS 4 -1.363 8.388 -4.797 36 1HZ LYS 4 1HZ LYS 4 -1.488 8.409 -7.203 37 2HZ LYS 4 2HZ LYS 4 -2.018 6.913 -6.610 38 3HZ LYS 4 3HZ LYS 4 -0.477 7.053 -7.305 39 H THR 5 H THR 5 2.609 11.035 -2.453 40 HA THR 5 HA THR 5 5.147 9.755 -2.880 41 HB THR 5 HB THR 5 3.832 9.844 -0.203 42 HG1 THR 5 1HG THR 5 4.899 12.092 -1.609 43 1HG2 THR 5 1HG2 THR 5 6.083 8.910 -0.434 44 2HG2 THR 5 2HG2 THR 5 6.104 10.392 0.523 45 3HG2 THR 5 3HG2 THR 5 6.635 10.419 -1.158 46 H TYR 6 H TYR 6 5.722 7.712 -2.065 47 HA TYR 6 HA TYR 6 3.555 5.823 -1.525 48 1HB TYR 6 2HB TYR 6 4.782 4.112 -2.798 49 2HB TYR 6 1HB TYR 6 4.320 5.451 -3.833 50 HD1 TYR 6 1HD TYR 6 7.086 3.607 -2.341 51 HD2 TYR 6 2HD TYR 6 6.047 7.000 -4.690 52 HE1 TYR 6 1HE TYR 6 9.420 3.803 -3.080 53 HE2 TYR 6 2HE TYR 6 8.385 7.207 -5.432 54 HH TYR 6 HH TYR 6 10.650 6.541 -4.650 55 H SER 7 H SER 7 4.460 3.829 -0.391 56 HA SER 7 HA SER 7 6.721 4.628 1.312 57 1HB SER 7 2HB SER 7 4.341 2.926 2.083 58 2HB SER 7 1HB SER 7 5.682 3.372 3.140 59 HG SER 7 HG SER 7 3.566 4.929 2.161 60 H GLU 8 H GLU 8 8.308 3.192 1.697 61 HA GLU 8 HA GLU 8 8.730 1.022 -0.041 62 1HB GLU 8 2HB GLU 8 10.695 0.537 1.287 63 2HB GLU 8 1HB GLU 8 10.547 2.275 1.099 64 1HG GLU 8 2HG GLU 8 9.787 0.699 3.555 65 2HG GLU 8 1HG GLU 8 11.254 1.652 3.355 66 H GLU 9 H GLU 9 7.407 1.258 3.195 67 HA GLU 9 HA GLU 9 7.274 -1.472 3.824 68 1HB GLU 9 2HB GLU 9 6.882 0.440 5.390 69 2HB GLU 9 1HB GLU 9 5.315 0.677 4.637 70 1HG GLU 9 2HG GLU 9 4.617 -1.541 5.337 71 2HG GLU 9 1HG GLU 9 6.200 -1.817 6.067 72 H PHE 10 H PHE 10 5.196 0.579 1.905 73 HA PHE 10 HA PHE 10 3.031 -1.213 1.593 74 1HB PHE 10 2HB PHE 10 2.832 1.164 1.051 75 2HB PHE 10 1HB PHE 10 4.031 0.997 -0.224 76 HD1 PHE 10 1HD PHE 10 3.341 0.628 -2.397 77 HD2 PHE 10 2HD PHE 10 0.694 -0.292 0.810 78 HE1 PHE 10 1HE PHE 10 1.549 0.157 -4.013 79 HE2 PHE 10 2HE PHE 10 -1.099 -0.768 -0.806 80 HZ PHE 10 HZ PHE 10 -0.671 -0.543 -3.220 81 H LYS 11 H LYS 11 5.980 -0.646 -0.272 82 HA LYS 11 HA LYS 11 5.462 -2.606 -2.267 83 1HB LYS 11 2HB LYS 11 8.144 -1.494 -1.389 84 2HB LYS 11 1HB LYS 11 7.771 -2.247 -2.935 85 1HG LYS 11 2HG LYS 11 6.312 -0.424 -3.526 86 2HG LYS 11 1HG LYS 11 6.520 0.305 -1.937 87 1HD LYS 11 2HD LYS 11 7.898 1.513 -3.444 88 2HD LYS 11 1HD LYS 11 8.969 0.505 -2.477 89 1HE LYS 11 2HE LYS 11 9.353 -0.980 -4.230 90 2HE LYS 11 1HE LYS 11 7.954 -0.408 -5.136 91 1HZ LYS 11 1HZ LYS 11 9.066 1.648 -5.576 92 2HZ LYS 11 2HZ LYS 11 10.088 0.384 -6.045 93 3HZ LYS 11 3HZ LYS 11 10.382 1.223 -4.600 94 H ARG 12 H ARG 12 6.990 -2.635 0.873 95 HA ARG 12 HA ARG 12 8.026 -5.272 0.815 96 1HB ARG 12 2HB ARG 12 8.735 -3.676 2.496 97 2HB ARG 12 1HB ARG 12 7.094 -3.515 3.094 98 1HG ARG 12 2HG ARG 12 7.215 -5.956 3.734 99 2HG ARG 12 1HG ARG 12 8.941 -5.870 3.373 100 1HD ARG 12 2HD ARG 12 9.231 -4.112 5.012 101 2HD ARG 12 1HD ARG 12 7.500 -4.080 5.326 102 HE ARG 12 HE ARG 12 9.422 -6.065 6.253 103 1HH1 ARG 12 1HH1 ARG 12 6.059 -5.138 5.909 104 2HH1 ARG 12 2HH1 ARG 12 5.522 -6.116 7.246 105 1HH2 ARG 12 1HH2 ARG 12 8.739 -7.327 8.012 106 2HH2 ARG 12 2HH2 ARG 12 7.055 -7.373 8.434 107 H ASP 13 H ASP 13 4.900 -3.910 1.714 108 HA ASP 13 HA ASP 13 3.741 -6.253 2.782 109 1HB ASP 13 2HB ASP 13 2.851 -3.957 3.140 110 2HB ASP 13 1HB ASP 13 2.356 -3.913 1.452 111 H ALA 14 H ALA 14 3.900 -4.909 -0.461 112 HA ALA 14 HA ALA 14 2.180 -6.695 -1.772 113 1HB ALA 14 1HB ALA 14 4.648 -5.342 -2.868 114 2HB ALA 14 2HB ALA 14 3.037 -4.629 -2.787 115 3HB ALA 14 3HB ALA 14 3.328 -6.032 -3.814 116 H VAL 15 H VAL 15 5.568 -6.968 -0.857 117 HA VAL 15 HA VAL 15 6.062 -9.403 -2.242 118 HB VAL 15 HB VAL 15 7.460 -8.307 0.203 119 1HG1 VAL 15 1HG1 VAL 15 8.369 -10.388 -1.783 120 2HG1 VAL 15 2HG1 VAL 15 7.877 -10.697 -0.117 121 3HG1 VAL 15 3HG1 VAL 15 9.324 -9.742 -0.450 122 1HG2 VAL 15 1HG2 VAL 15 8.093 -8.020 -2.727 123 2HG2 VAL 15 2HG2 VAL 15 9.120 -7.482 -1.400 124 3HG2 VAL 15 3HG2 VAL 15 7.538 -6.743 -1.641 125 H ALA 16 H ALA 16 5.015 -8.630 1.047 126 HA ALA 16 HA ALA 16 4.923 -11.266 2.036 127 1HB ALA 16 1HB ALA 16 3.467 -10.391 3.776 128 2HB ALA 16 2HB ALA 16 3.189 -8.926 2.831 129 3HB ALA 16 3HB ALA 16 4.797 -9.276 3.464 130 H LEU 17 H LEU 17 2.587 -9.300 0.287 131 HA LEU 17 HA LEU 17 0.454 -11.131 0.249 132 1HB LEU 17 2HB LEU 17 1.308 -8.978 -1.677 133 2HB LEU 17 1HB LEU 17 -0.159 -9.908 -1.896 134 HG LEU 17 HG LEU 17 0.427 -8.201 0.522 135 1HD1 LEU 17 1HD1 LEU 17 0.196 -6.825 -1.475 136 2HD1 LEU 17 2HD1 LEU 17 -1.210 -6.650 -0.424 137 3HD1 LEU 17 3HD1 LEU 17 -1.313 -7.646 -1.876 138 1HD2 LEU 17 1HD2 LEU 17 -2.087 -9.578 -0.413 139 2HD2 LEU 17 2HD2 LEU 17 -1.958 -8.510 0.985 140 3HD2 LEU 17 3HD2 LEU 17 -1.095 -10.049 0.968 141 H TYR 18 H TYR 18 3.352 -10.843 -1.720 142 HA TYR 18 HA TYR 18 2.568 -12.773 -3.664 143 1HB TYR 18 2HB TYR 18 4.262 -11.027 -4.114 144 2HB TYR 18 1HB TYR 18 5.348 -11.804 -2.967 145 HD1 TYR 18 1HD TYR 18 6.877 -13.375 -3.750 146 HD2 TYR 18 2HD TYR 18 3.417 -12.528 -6.073 147 HE1 TYR 18 1HE TYR 18 7.746 -14.806 -5.554 148 HE2 TYR 18 2HE TYR 18 4.276 -13.950 -7.885 149 HH TYR 18 HH TYR 18 6.935 -16.055 -7.463 150 H GLU 19 H GLU 19 4.170 -12.936 -0.554 151 HA GLU 19 HA GLU 19 5.114 -15.588 -0.712 152 1HB GLU 19 2HB GLU 19 3.968 -14.165 1.707 153 2HB GLU 19 1HB GLU 19 4.918 -15.641 1.746 154 1HG GLU 19 2HG GLU 19 6.828 -14.393 0.795 155 2HG GLU 19 1HG GLU 19 5.867 -12.916 0.891 156 H ASN 20 H ASN 20 1.990 -14.204 -0.109 157 HA ASN 20 HA ASN 20 0.782 -16.828 0.370 158 1HB ASN 20 2HB ASN 20 -0.233 -14.013 0.800 159 2HB ASN 20 1HB ASN 20 -1.185 -15.460 1.101 160 1HD2 ASN 20 1HD2 ASN 20 1.479 -13.501 2.161 161 2HD2 ASN 20 2HD2 ASN 20 1.691 -14.254 3.705 162 H SER 21 H SER 21 1.661 -15.778 -2.271 163 HA SER 21 HA SER 21 -0.542 -14.815 -3.748 164 1HB SER 21 2HB SER 21 0.841 -15.486 -5.740 165 2HB SER 21 1HB SER 21 1.653 -14.422 -4.592 166 HG SER 21 HG SER 21 3.051 -15.935 -4.178 167 H ASP 22 H ASP 22 0.310 -17.986 -2.744 168 HA ASP 22 HA ASP 22 -0.997 -19.489 -4.735 169 1HB ASP 22 2HB ASP 22 0.518 -20.504 -3.089 170 2HB ASP 22 1HB ASP 22 -0.633 -20.152 -1.805 171 H GLY 23 H GLY 23 -2.176 -17.585 -2.120 172 1HA GLY 23 2HA GLY 23 -4.919 -18.508 -2.701 173 2HA GLY 23 1HA GLY 23 -4.425 -17.754 -1.191 174 H ALA 24 H ALA 24 -2.784 -16.122 -3.488 175 HA ALA 24 HA ALA 24 -4.928 -14.263 -4.148 176 1HB ALA 24 1HB ALA 24 -2.468 -13.425 -2.620 177 2HB ALA 24 2HB ALA 24 -4.114 -13.487 -1.990 178 3HB ALA 24 3HB ALA 24 -3.703 -12.346 -3.269 179 H SER 25 H SER 25 -4.688 -14.523 -6.294 180 HA SER 25 HA SER 25 -2.244 -14.945 -7.618 181 1HB SER 25 2HB SER 25 -4.430 -15.603 -8.554 182 2HB SER 25 1HB SER 25 -4.857 -13.904 -8.744 183 HG SER 25 HG SER 25 -2.640 -15.186 -9.987 184 H LEU 26 H LEU 26 -1.112 -13.560 -9.088 185 HA LEU 26 HA LEU 26 -0.389 -11.102 -8.061 186 1HB LEU 26 2HB LEU 26 -0.086 -12.314 -10.788 187 2HB LEU 26 1HB LEU 26 0.608 -10.770 -10.369 188 HG LEU 26 HG LEU 26 1.255 -13.384 -9.017 189 1HD1 LEU 26 1HD1 LEU 26 2.863 -11.719 -10.948 190 2HD1 LEU 26 2HD1 LEU 26 2.121 -13.280 -11.294 191 3HD1 LEU 26 3HD1 LEU 26 3.427 -13.167 -10.114 192 1HD2 LEU 26 1HD2 LEU 26 3.012 -12.124 -7.897 193 2HD2 LEU 26 2HD2 LEU 26 1.425 -11.452 -7.521 194 3HD2 LEU 26 3HD2 LEU 26 2.472 -10.644 -8.689 195 H GLN 27 H GLN 27 -2.767 -11.881 -10.553 196 HA GLN 27 HA GLN 27 -3.289 -9.226 -11.363 197 1HB GLN 27 2HB GLN 27 -4.013 -11.258 -12.624 198 2HB GLN 27 1HB GLN 27 -5.211 -11.564 -11.373 199 1HG GLN 27 2HG GLN 27 -6.284 -10.500 -13.231 200 2HG GLN 27 1HG GLN 27 -6.240 -9.376 -11.875 201 1HE2 GLN 27 1HE2 GLN 27 -6.474 -7.603 -13.235 202 2HE2 GLN 27 2HE2 GLN 27 -5.180 -7.031 -14.227 203 H GLN 28 H GLN 28 -4.608 -11.263 -8.820 204 HA GLN 28 HA GLN 28 -6.705 -9.522 -8.039 205 1HB GLN 28 2HB GLN 28 -6.578 -11.969 -7.514 206 2HB GLN 28 1HB GLN 28 -5.282 -11.622 -6.380 207 1HG GLN 28 2HG GLN 28 -7.781 -10.109 -5.996 208 2HG GLN 28 1HG GLN 28 -7.863 -11.842 -5.691 209 1HE2 GLN 28 1HE2 GLN 28 -6.556 -8.805 -4.654 210 2HE2 GLN 28 2HE2 GLN 28 -5.937 -9.361 -3.137 211 H ILE 29 H ILE 29 -3.381 -10.010 -6.920 212 HA ILE 29 HA ILE 29 -3.433 -8.148 -4.808 213 HB ILE 29 HB ILE 29 -1.078 -8.998 -6.506 214 1HG1 ILE 29 2HG1 ILE 29 -2.191 -10.894 -5.421 215 2HG1 ILE 29 1HG1 ILE 29 -0.620 -10.592 -4.690 216 1HG2 ILE 29 1HG2 ILE 29 -1.153 -7.677 -3.797 217 2HG2 ILE 29 2HG2 ILE 29 -0.581 -6.956 -5.301 218 3HG2 ILE 29 3HG2 ILE 29 0.295 -8.309 -4.583 219 1HD1 ILE 29 1HD1 ILE 29 -3.294 -9.795 -3.567 220 2HD1 ILE 29 2HD1 ILE 29 -1.729 -9.428 -2.841 221 3HD1 ILE 29 3HD1 ILE 29 -2.255 -11.104 -2.999 222 H ALA 30 H ALA 30 -2.257 -7.798 -8.158 223 HA ALA 30 HA ALA 30 -1.584 -5.081 -7.986 224 1HB ALA 30 1HB ALA 30 -2.442 -6.647 -10.417 225 2HB ALA 30 2HB ALA 30 -0.798 -6.537 -9.781 226 3HB ALA 30 3HB ALA 30 -1.595 -5.100 -10.426 227 H ASN 31 H ASN 31 -4.614 -6.683 -8.792 228 HA ASN 31 HA ASN 31 -5.984 -4.392 -9.736 229 1HB ASN 31 2HB ASN 31 -6.547 -7.001 -9.822 230 2HB ASN 31 1HB ASN 31 -7.489 -6.592 -8.394 231 1HD2 ASN 31 1HD2 ASN 31 -8.463 -7.531 -10.899 232 2HD2 ASN 31 2HD2 ASN 31 -9.500 -6.299 -11.532 233 H ASP 32 H ASP 32 -5.731 -5.921 -6.552 234 HA ASP 32 HA ASP 32 -7.645 -4.246 -5.276 235 1HB ASP 32 2HB ASP 32 -6.972 -6.476 -4.412 236 2HB ASP 32 1HB ASP 32 -5.385 -5.820 -4.022 237 H LEU 33 H LEU 33 -4.116 -4.192 -5.503 238 HA LEU 33 HA LEU 33 -3.835 -1.887 -3.826 239 1HB LEU 33 2HB LEU 33 -1.983 -3.482 -5.557 240 2HB LEU 33 1HB LEU 33 -1.471 -1.925 -4.945 241 HG LEU 33 HG LEU 33 -1.819 -2.736 -2.631 242 1HD1 LEU 33 1HD1 LEU 33 -2.173 -5.098 -2.199 243 2HD1 LEU 33 2HD1 LEU 33 -2.341 -5.404 -3.928 244 3HD1 LEU 33 3HD1 LEU 33 -3.533 -4.413 -3.091 245 1HD2 LEU 33 1HD2 LEU 33 0.378 -2.864 -3.688 246 2HD2 LEU 33 2HD2 LEU 33 -0.007 -4.468 -4.308 247 3HD2 LEU 33 3HD2 LEU 33 0.125 -4.203 -2.569 248 H GLY 34 H GLY 34 -4.506 -2.402 -7.160 249 1HA GLY 34 2HA GLY 34 -5.163 -0.838 -8.739 250 2HA GLY 34 1HA GLY 34 -4.794 0.436 -7.585 251 H ILE 35 H ILE 35 -2.689 -2.115 -8.804 252 HA ILE 35 HA ILE 35 -1.026 -0.073 -10.108 253 HB ILE 35 HB ILE 35 0.989 -1.282 -9.268 254 1HG1 ILE 35 2HG1 ILE 35 -0.988 -2.611 -7.401 255 2HG1 ILE 35 1HG1 ILE 35 -0.118 -3.407 -8.709 256 1HG2 ILE 35 1HG2 ILE 35 0.960 -0.278 -7.031 257 2HG2 ILE 35 2HG2 ILE 35 -0.783 -0.058 -7.164 258 3HG2 ILE 35 3HG2 ILE 35 0.299 0.808 -8.253 259 1HD1 ILE 35 1HD1 ILE 35 0.898 -3.871 -6.557 260 2HD1 ILE 35 2HD1 ILE 35 1.133 -2.146 -6.283 261 3HD1 ILE 35 3HD1 ILE 35 1.991 -2.956 -7.592 262 H ASN 36 H ASN 36 0.778 -1.276 -11.407 263 HA ASN 36 HA ASN 36 -0.504 -3.212 -13.108 264 1HB ASN 36 2HB ASN 36 0.840 -1.435 -14.088 265 2HB ASN 36 1HB ASN 36 2.236 -1.929 -13.147 266 1HD2 ASN 36 1HD2 ASN 36 3.472 -2.216 -14.948 267 2HD2 ASN 36 2HD2 ASN 36 3.248 -3.539 -16.024 268 H ARG 37 H ARG 37 0.118 -5.344 -13.365 269 HA ARG 37 HA ARG 37 1.133 -6.654 -11.087 270 1HB ARG 37 2HB ARG 37 1.085 -8.664 -12.619 271 2HB ARG 37 1HB ARG 37 -0.428 -7.824 -12.382 272 1HG ARG 37 2HG ARG 37 -0.238 -6.766 -14.533 273 2HG ARG 37 1HG ARG 37 1.356 -7.488 -14.774 274 1HD ARG 37 2HD ARG 37 0.475 -9.636 -15.005 275 2HD ARG 37 1HD ARG 37 -1.055 -9.185 -14.251 276 HE ARG 37 HE ARG 37 -1.371 -7.764 -16.329 277 1HH1 ARG 37 1HH1 ARG 37 0.426 -10.762 -16.308 278 2HH1 ARG 37 2HH1 ARG 37 0.104 -11.122 -17.981 279 1HH2 ARG 37 1HH2 ARG 37 -1.860 -8.244 -18.494 280 2HH2 ARG 37 2HH2 ARG 37 -1.218 -9.686 -19.229 281 H VAL 38 H VAL 38 2.565 -5.660 -14.117 282 HA VAL 38 HA VAL 38 5.007 -7.081 -13.805 283 HB VAL 38 HB VAL 38 4.581 -4.498 -15.320 284 1HG1 VAL 38 1HG1 VAL 38 6.487 -5.255 -16.670 285 2HG1 VAL 38 2HG1 VAL 38 6.689 -6.634 -15.586 286 3HG1 VAL 38 3HG1 VAL 38 6.919 -4.992 -14.981 287 1HG2 VAL 38 1HG2 VAL 38 4.297 -7.342 -16.287 288 2HG2 VAL 38 2HG2 VAL 38 4.201 -5.894 -17.292 289 3HG2 VAL 38 3HG2 VAL 38 2.985 -6.187 -16.047 290 H THR 39 H THR 39 4.021 -3.743 -13.033 291 HA THR 39 HA THR 39 6.454 -2.915 -11.892 292 HB THR 39 HB THR 39 3.730 -1.978 -10.985 293 HG1 THR 39 1HG THR 39 5.217 -1.098 -13.268 294 1HG2 THR 39 1HG2 THR 39 6.401 -0.590 -11.240 295 2HG2 THR 39 2HG2 THR 39 5.626 -1.085 -9.735 296 3HG2 THR 39 3HG2 THR 39 4.896 0.176 -10.728 297 H LEU 40 H LEU 40 3.599 -4.461 -10.510 298 HA LEU 40 HA LEU 40 4.324 -4.568 -7.825 299 1HB LEU 40 2HB LEU 40 2.117 -5.176 -8.568 300 2HB LEU 40 1HB LEU 40 2.751 -6.484 -9.546 301 HG LEU 40 HG LEU 40 3.490 -7.595 -7.408 302 1HD1 LEU 40 1HD1 LEU 40 2.396 -6.861 -5.345 303 2HD1 LEU 40 2HD1 LEU 40 1.761 -5.450 -6.193 304 3HD1 LEU 40 3HD1 LEU 40 3.502 -5.638 -5.973 305 1HD2 LEU 40 1HD2 LEU 40 1.482 -8.266 -8.629 306 2HD2 LEU 40 2HD2 LEU 40 0.543 -7.061 -7.749 307 3HD2 LEU 40 3HD2 LEU 40 1.258 -8.423 -6.887 308 H LYS 41 H LYS 41 4.917 -6.938 -10.402 309 HA LYS 41 HA LYS 41 6.264 -8.820 -8.813 310 1HB LYS 41 2HB LYS 41 5.258 -9.009 -11.206 311 2HB LYS 41 1HB LYS 41 6.838 -8.462 -11.738 312 1HG LYS 41 2HG LYS 41 7.890 -10.371 -10.678 313 2HG LYS 41 1HG LYS 41 6.327 -10.908 -10.056 314 1HD LYS 41 2HD LYS 41 5.540 -11.009 -12.448 315 2HD LYS 41 1HD LYS 41 7.219 -10.755 -12.928 316 1HE LYS 41 2HE LYS 41 7.869 -12.773 -11.703 317 2HE LYS 41 1HE LYS 41 6.188 -13.030 -11.237 318 1HZ LYS 41 1HZ LYS 41 6.725 -14.402 -13.119 319 2HZ LYS 41 2HZ LYS 41 7.282 -13.061 -13.999 320 3HZ LYS 41 3HZ LYS 41 5.633 -13.197 -13.614 321 H ASN 42 H ASN 42 7.414 -6.099 -10.715 322 HA ASN 42 HA ASN 42 10.172 -6.606 -10.460 323 1HB ASN 42 2HB ASN 42 8.593 -4.118 -11.057 324 2HB ASN 42 1HB ASN 42 10.345 -4.068 -10.900 325 1HD2 ASN 42 1HD2 ASN 42 10.592 -3.486 -13.060 326 2HD2 ASN 42 2HD2 ASN 42 10.351 -4.608 -14.348 327 H TRP 43 H TRP 43 7.903 -4.875 -8.371 328 HA TRP 43 HA TRP 43 9.787 -3.829 -6.554 329 1HB TRP 43 2HB TRP 43 6.930 -4.735 -6.165 330 2HB TRP 43 1HB TRP 43 7.879 -4.020 -4.871 331 HD1 TRP 43 HD TRP 43 9.085 -2.010 -7.480 332 HE1 TRP 43 1HE TRP 43 7.691 0.118 -7.855 333 HE3 TRP 43 3HE TRP 43 4.852 -3.362 -4.961 334 HZ2 TRP 43 2HZ TRP 43 5.144 1.104 -7.153 335 HZ3 TRP 43 3HZ TRP 43 2.988 -1.764 -4.845 336 HH2 TRP 43 HH TRP 43 3.132 0.422 -5.919 337 H ILE 44 H ILE 44 8.128 -6.915 -6.718 338 HA ILE 44 HA ILE 44 9.014 -8.009 -4.295 339 HB ILE 44 HB ILE 44 8.306 -9.506 -6.826 340 1HG1 ILE 44 2HG1 ILE 44 6.468 -8.716 -4.554 341 2HG1 ILE 44 1HG1 ILE 44 6.617 -7.783 -6.038 342 1HG2 ILE 44 1HG2 ILE 44 7.664 -11.306 -5.298 343 2HG2 ILE 44 2HG2 ILE 44 8.188 -10.330 -3.925 344 3HG2 ILE 44 3HG2 ILE 44 9.367 -10.888 -5.111 345 1HD1 ILE 44 1HD1 ILE 44 5.701 -10.643 -5.843 346 2HD1 ILE 44 2HD1 ILE 44 5.841 -9.698 -7.325 347 3HD1 ILE 44 3HD1 ILE 44 4.672 -9.232 -6.092 348 H ILE 45 H ILE 45 10.513 -7.818 -7.454 349 HA ILE 45 HA ILE 45 12.489 -9.791 -7.161 350 HB ILE 45 HB ILE 45 12.672 -7.205 -8.714 351 1HG1 ILE 45 2HG1 ILE 45 11.796 -9.958 -9.607 352 2HG1 ILE 45 1HG1 ILE 45 10.716 -8.594 -9.315 353 1HG2 ILE 45 1HG2 ILE 45 14.856 -8.232 -8.388 354 2HG2 ILE 45 2HG2 ILE 45 14.344 -8.368 -10.070 355 3HG2 ILE 45 3HG2 ILE 45 14.238 -9.766 -9.001 356 1HD1 ILE 45 1HD1 ILE 45 12.863 -8.763 -11.429 357 2HD1 ILE 45 2HD1 ILE 45 11.833 -7.365 -11.122 358 3HD1 ILE 45 3HD1 ILE 45 11.121 -8.875 -11.680 359 H LYS 46 H LYS 46 12.397 -6.440 -6.069 360 HA LYS 46 HA LYS 46 15.218 -6.464 -5.390 361 1HB LYS 46 2HB LYS 46 14.067 -4.439 -6.326 362 2HB LYS 46 1HB LYS 46 13.185 -4.308 -4.810 363 1HG LYS 46 2HG LYS 46 15.385 -4.146 -3.635 364 2HG LYS 46 1HG LYS 46 16.156 -4.067 -5.220 365 1HD LYS 46 2HD LYS 46 14.753 -2.079 -5.733 366 2HD LYS 46 1HD LYS 46 14.155 -2.126 -4.073 367 1HE LYS 46 2HE LYS 46 17.003 -1.697 -4.972 368 2HE LYS 46 1HE LYS 46 15.933 -0.511 -4.222 369 1HZ LYS 46 1HZ LYS 46 17.120 -2.926 -2.968 370 2HZ LYS 46 2HZ LYS 46 15.875 -2.028 -2.246 371 3HZ LYS 46 3HZ LYS 46 17.377 -1.302 -2.544 372 H TYR 47 H TYR 47 12.112 -6.483 -3.702 373 HA TYR 47 HA TYR 47 13.441 -6.279 -1.126 374 1HB TYR 47 2HB TYR 47 10.523 -6.447 -1.869 375 2HB TYR 47 1HB TYR 47 11.111 -6.277 -0.222 376 HD1 TYR 47 1HD TYR 47 10.690 -4.597 -3.458 377 HD2 TYR 47 2HD TYR 47 11.983 -4.151 0.568 378 HE1 TYR 47 1HE TYR 47 10.707 -2.159 -3.742 379 HE2 TYR 47 2HE TYR 47 12.006 -1.705 0.290 380 HH TYR 47 HH TYR 47 12.188 -0.055 -1.544 381 H GLY 48 H GLY 48 11.876 -8.714 -3.093 382 1HA GLY 48 2HA GLY 48 12.016 -10.658 -0.900 383 2HA GLY 48 1HA GLY 48 11.206 -10.894 -2.447 384 H SER 49 H SER 49 14.310 -10.770 -0.829 385 HA SER 49 HA SER 49 15.819 -11.461 -3.159 386 1HB SER 49 2HB SER 49 16.697 -11.538 -0.267 387 2HB SER 49 1HB SER 49 17.733 -11.445 -1.690 388 HG SER 49 HG SER 49 16.129 -9.442 -1.962 389 H ASN 50 H ASN 50 14.196 -13.301 -0.712 390 HA ASN 50 HA ASN 50 15.888 -15.605 -0.910 391 1HB ASN 50 2HB ASN 50 13.102 -15.406 0.206 392 2HB ASN 50 1HB ASN 50 14.200 -16.754 0.430 393 1HD2 ASN 50 1HD2 ASN 50 16.036 -16.493 1.735 394 2HD2 ASN 50 2HD2 ASN 50 16.111 -15.235 2.922 395 H HIS 51 H HIS 51 15.981 -16.849 -2.529 396 HA HIS 51 HA HIS 51 15.556 -18.073 -4.376 397 1HB HIS 51 2HB HIS 51 14.059 -19.308 -2.889 398 2HB HIS 51 1HB HIS 51 12.754 -18.184 -3.246 399 HD1 HIS 51 1HD HIS 51 11.118 -19.483 -4.579 400 HD2 HIS 51 2HD HIS 51 15.034 -20.155 -5.827 401 HE1 HIS 51 1HE HIS 51 10.944 -20.959 -6.617 402 HE2 HIS 51 2HE HIS 51 13.322 -21.334 -7.374 403 H ASN 52 H ASN 52 15.826 -16.888 -6.123 404 HA ASN 52 HA ASN 52 14.130 -14.724 -6.840 405 1HB ASN 52 2HB ASN 52 15.604 -14.699 -8.910 406 2HB ASN 52 1HB ASN 52 16.411 -14.441 -7.372 407 1HD2 ASN 52 1HD2 ASN 52 16.034 -16.546 -10.094 408 2HD2 ASN 52 2HD2 ASN 52 17.319 -17.635 -9.694 409 H VAL 53 H VAL 53 12.164 -15.965 -6.895 410 HA VAL 53 HA VAL 53 11.508 -17.857 -8.852 411 HB VAL 53 HB VAL 53 9.664 -15.670 -7.872 412 1HG1 VAL 53 1HG1 VAL 53 7.911 -17.367 -8.268 413 2HG1 VAL 53 2HG1 VAL 53 9.137 -18.444 -8.937 414 3HG1 VAL 53 3HG1 VAL 53 8.774 -16.918 -9.741 415 1HG2 VAL 53 1HG2 VAL 53 10.300 -18.329 -6.597 416 2HG2 VAL 53 2HG2 VAL 53 8.992 -17.254 -6.104 417 3HG2 VAL 53 3HG2 VAL 53 10.670 -16.733 -5.946 418 H GLN 54 H GLN 54 11.525 -14.330 -8.949 419 HA GLN 54 HA GLN 54 10.799 -14.185 -11.718 420 1HB GLN 54 2HB GLN 54 12.113 -12.073 -9.989 421 2HB GLN 54 1HB GLN 54 11.350 -11.806 -11.546 422 1HG GLN 54 2HG GLN 54 9.779 -11.049 -10.024 423 2HG GLN 54 1HG GLN 54 9.208 -12.668 -10.423 424 1HE2 GLN 54 1HE2 GLN 54 10.709 -10.674 -7.995 425 2HE2 GLN 54 2HE2 GLN 54 10.452 -11.748 -6.667 426 H GLY 55 H GLY 55 12.311 -15.662 -12.617 427 1HA GLY 55 2HA GLY 55 15.056 -14.590 -12.773 428 2HA GLY 55 1HA GLY 55 14.708 -16.307 -12.716 429 H THR 56 H THR 56 13.793 -17.306 -14.499 430 HA THR 56 HA THR 56 13.924 -17.903 -16.666 431 HB THR 56 HB THR 56 12.789 -16.293 -18.268 432 HG1 THR 56 1HG THR 56 13.237 -14.546 -16.415 433 1HG2 THR 56 1HG2 THR 56 11.606 -18.122 -17.182 434 2HG2 THR 56 2HG2 THR 56 10.574 -16.696 -17.314 435 3HG2 THR 56 3HG2 THR 56 11.321 -17.106 -15.768 436 H THR 57 H THR 57 16.017 -18.115 -17.167 437 HA THR 57 HA THR 57 17.700 -15.802 -17.601 438 HB THR 57 HB THR 57 18.369 -18.738 -17.885 439 HG1 THR 57 1HG THR 57 19.109 -18.566 -15.749 440 1HG2 THR 57 1HG2 THR 57 20.143 -16.323 -17.500 441 2HG2 THR 57 2HG2 THR 57 19.978 -17.258 -18.985 442 3HG2 THR 57 3HG2 THR 57 20.683 -18.004 -17.551 443 HA PRO 58 HA PRO 58 17.357 -16.274 -22.087 444 1HB PRO 58 2HB PRO 58 17.394 -13.667 -22.677 445 2HB PRO 58 1HB PRO 58 15.940 -14.428 -22.021 446 1HG PRO 58 2HG PRO 58 17.859 -12.596 -20.713 447 2HG PRO 58 1HG PRO 58 16.147 -12.871 -20.361 448 1HD PRO 58 2HD PRO 58 18.426 -13.992 -19.027 449 2HD PRO 58 1HD PRO 58 16.711 -14.284 -18.686 450 H SER 59 H SER 59 18.778 -14.896 -23.800 451 HA SER 59 HA SER 59 21.483 -15.558 -23.282 452 1HB SER 59 2HB SER 59 20.507 -15.528 -25.550 453 2HB SER 59 1HB SER 59 20.325 -13.780 -25.443 454 HG SER 59 HG SER 59 22.221 -13.888 -26.399 455 H ALA 60 H ALA 60 19.614 -12.706 -22.734 456 HA ALA 60 HA ALA 60 21.756 -10.838 -22.662 457 1HB ALA 60 1HB ALA 60 19.012 -10.643 -21.426 458 2HB ALA 60 2HB ALA 60 19.438 -10.161 -23.068 459 3HB ALA 60 3HB ALA 60 20.134 -9.307 -21.692 460 H ALA 61 H ALA 61 20.675 -13.213 -20.462 461 HA ALA 61 HA ALA 61 21.414 -11.807 -18.071 462 1HB ALA 61 1HB ALA 61 20.786 -14.733 -18.418 463 2HB ALA 61 2HB ALA 61 19.602 -13.470 -18.079 464 3HB ALA 61 3HB ALA 61 20.855 -13.844 -16.895 465 H VAL 62 H VAL 62 23.197 -13.234 -20.439 466 HA VAL 62 HA VAL 62 25.214 -14.515 -18.893 467 HB VAL 62 HB VAL 62 25.387 -13.376 -21.689 468 1HG1 VAL 62 1HG1 VAL 62 27.318 -14.838 -21.981 469 2HG1 VAL 62 2HG1 VAL 62 27.198 -15.346 -20.297 470 3HG1 VAL 62 3HG1 VAL 62 27.596 -13.673 -20.684 471 1HG2 VAL 62 1HG2 VAL 62 24.818 -16.185 -20.744 472 2HG2 VAL 62 2HG2 VAL 62 25.050 -15.694 -22.422 473 3HG2 VAL 62 3HG2 VAL 62 23.669 -15.086 -21.511 474 H SER 63 H SER 63 24.785 -11.283 -20.194 475 HA SER 63 HA SER 63 27.317 -10.330 -19.238 476 1HB SER 63 2HB SER 63 24.902 -8.768 -20.189 477 2HB SER 63 1HB SER 63 26.544 -8.148 -20.011 478 HG SER 63 HG SER 63 27.149 -9.813 -21.577 479 H GLU 64 H GLU 64 24.009 -10.367 -18.110 480 HA GLU 64 HA GLU 64 24.305 -8.472 -16.015 481 1HB GLU 64 2HB GLU 64 22.189 -9.627 -17.221 482 2HB GLU 64 1HB GLU 64 22.270 -10.616 -15.770 483 1HG GLU 64 2HG GLU 64 20.744 -8.828 -15.389 484 2HG GLU 64 1HG GLU 64 22.189 -8.542 -14.418 485 H ALA 65 H ALA 65 25.031 -11.797 -16.352 486 HA ALA 65 HA ALA 65 24.823 -12.764 -13.761 487 1HB ALA 65 1HB ALA 65 26.278 -14.554 -14.464 488 2HB ALA 65 2HB ALA 65 26.818 -13.608 -15.850 489 3HB ALA 65 3HB ALA 65 25.146 -14.157 -15.756 490 H GLU 66 H GLU 66 27.206 -10.618 -15.088 491 HA GLU 66 HA GLU 66 29.434 -11.283 -13.526 492 1HB GLU 66 2HB GLU 66 29.448 -9.699 -15.463 493 2HB GLU 66 1HB GLU 66 28.663 -8.506 -14.445 494 1HG GLU 66 2HG GLU 66 31.008 -8.034 -14.534 495 2HG GLU 66 1HG GLU 66 30.592 -8.582 -12.911 496 H GLN 67 H GLN 67 26.814 -8.970 -12.851 497 HA GLN 67 HA GLN 67 27.920 -8.304 -10.274 498 1HB GLN 67 2HB GLN 67 25.938 -6.906 -9.996 499 2HB GLN 67 1HB GLN 67 26.668 -6.636 -11.571 500 1HG GLN 67 2HG GLN 67 24.950 -8.317 -12.443 501 2HG GLN 67 1HG GLN 67 24.128 -8.068 -10.903 502 1HE2 GLN 67 1HE2 GLN 67 25.027 -6.672 -13.927 503 2HE2 GLN 67 2HE2 GLN 67 24.022 -5.280 -13.827 504 H ILE 68 H ILE 68 25.464 -10.437 -11.547 505 HA ILE 68 HA ILE 68 24.249 -11.255 -9.155 506 HB ILE 68 HB ILE 68 24.765 -12.803 -11.710 507 1HG1 ILE 68 2HG1 ILE 68 23.388 -10.814 -12.028 508 2HG1 ILE 68 1HG1 ILE 68 22.420 -12.271 -12.220 509 1HG2 ILE 68 1HG2 ILE 68 24.367 -14.345 -9.861 510 2HG2 ILE 68 2HG2 ILE 68 23.001 -14.334 -10.977 511 3HG2 ILE 68 3HG2 ILE 68 22.891 -13.474 -9.439 512 1HD1 ILE 68 1HD1 ILE 68 21.554 -11.964 -9.941 513 2HD1 ILE 68 2HD1 ILE 68 21.188 -10.601 -10.997 514 3HD1 ILE 68 3HD1 ILE 68 22.483 -10.470 -9.806 515 H ARG 69 H ARG 69 27.073 -12.406 -10.879 516 HA ARG 69 HA ARG 69 27.885 -14.543 -9.336 517 1HB ARG 69 2HB ARG 69 28.906 -14.116 -11.419 518 2HB ARG 69 1HB ARG 69 29.334 -12.478 -10.966 519 1HG ARG 69 2HG ARG 69 30.997 -13.390 -9.384 520 2HG ARG 69 1HG ARG 69 30.603 -15.015 -9.962 521 1HD ARG 69 2HD ARG 69 31.299 -14.466 -12.184 522 2HD ARG 69 1HD ARG 69 31.494 -12.768 -11.760 523 HE ARG 69 HE ARG 69 33.181 -14.807 -10.482 524 1HH1 ARG 69 1HH1 ARG 69 32.812 -11.950 -12.487 525 2HH1 ARG 69 2HH1 ARG 69 34.524 -11.679 -12.629 526 1HH2 ARG 69 1HH2 ARG 69 35.428 -14.434 -10.644 527 2HH2 ARG 69 2HH2 ARG 69 36.011 -13.061 -11.547 528 H GLN 70 H GLN 70 28.271 -11.111 -8.720 529 HA GLN 70 HA GLN 70 30.209 -11.452 -6.631 530 1HB GLN 70 2HB GLN 70 29.698 -9.427 -8.248 531 2HB GLN 70 1HB GLN 70 28.589 -8.971 -6.970 532 1HG GLN 70 2HG GLN 70 31.334 -9.645 -6.141 533 2HG GLN 70 1HG GLN 70 31.126 -8.172 -7.078 534 1HE2 GLN 70 1HE2 GLN 70 31.712 -6.877 -5.350 535 2HE2 GLN 70 2HE2 GLN 70 30.658 -6.614 -4.001 536 H LEU 71 H LEU 71 26.758 -10.728 -6.809 537 HA LEU 71 HA LEU 71 26.540 -10.348 -3.962 538 1HB LEU 71 2HB LEU 71 25.227 -9.059 -5.630 539 2HB LEU 71 1HB LEU 71 24.359 -10.523 -6.035 540 HG LEU 71 HG LEU 71 23.499 -10.628 -3.715 541 1HD1 LEU 71 1HD1 LEU 71 23.737 -8.672 -2.269 542 2HD1 LEU 71 2HD1 LEU 71 24.829 -7.935 -3.445 543 3HD1 LEU 71 3HD1 LEU 71 25.303 -9.416 -2.608 544 1HD2 LEU 71 1HD2 LEU 71 22.957 -8.026 -5.143 545 2HD2 LEU 71 2HD2 LEU 71 21.909 -8.800 -3.954 546 3HD2 LEU 71 3HD2 LEU 71 22.201 -9.575 -5.511 547 H LYS 72 H LYS 72 25.924 -12.962 -6.194 548 HA LYS 72 HA LYS 72 24.051 -14.299 -4.457 549 1HB LYS 72 2HB LYS 72 24.042 -14.297 -7.008 550 2HB LYS 72 1HB LYS 72 25.349 -15.466 -6.911 551 1HG LYS 72 2HG LYS 72 23.903 -16.997 -5.690 552 2HG LYS 72 1HG LYS 72 22.594 -15.817 -5.751 553 1HD LYS 72 2HD LYS 72 22.614 -15.933 -8.202 554 2HD LYS 72 1HD LYS 72 23.911 -17.126 -8.132 555 1HE LYS 72 2HE LYS 72 22.429 -18.625 -6.860 556 2HE LYS 72 1HE LYS 72 21.133 -17.440 -7.001 557 1HZ LYS 72 1HZ LYS 72 20.972 -19.227 -8.646 558 2HZ LYS 72 2HZ LYS 72 22.471 -18.772 -9.296 559 3HZ LYS 72 3HZ LYS 72 21.154 -17.709 -9.382 560 H LYS 73 H LYS 73 27.250 -14.020 -4.096 561 HA LYS 73 HA LYS 73 27.815 -16.821 -3.495 562 1HB LYS 73 2HB LYS 73 30.080 -16.003 -2.895 563 2HB LYS 73 1HB LYS 73 29.615 -15.584 -4.540 564 1HG LYS 73 2HG LYS 73 29.393 -13.353 -4.058 565 2HG LYS 73 1HG LYS 73 29.136 -13.638 -2.336 566 1HD LYS 73 2HD LYS 73 31.452 -14.142 -2.011 567 2HD LYS 73 1HD LYS 73 31.751 -14.127 -3.750 568 1HE LYS 73 2HE LYS 73 32.465 -12.062 -2.474 569 2HE LYS 73 1HE LYS 73 31.449 -11.798 -3.888 570 1HZ LYS 73 1HZ LYS 73 29.557 -11.482 -2.477 571 2HZ LYS 73 2HZ LYS 73 30.795 -10.460 -1.946 572 3HZ LYS 73 3HZ LYS 73 30.445 -11.881 -1.088 573 H GLU 74 H GLU 74 29.291 -16.911 -1.346 574 HA GLU 74 HA GLU 74 29.343 -17.004 0.906 575 1HB GLU 74 2HB GLU 74 27.923 -14.344 0.705 576 2HB GLU 74 1HB GLU 74 28.598 -15.010 2.188 577 1HG GLU 74 2HG GLU 74 30.821 -15.007 1.183 578 2HG GLU 74 1HG GLU 74 30.151 -14.353 -0.307 579 H ASN 75 H ASN 75 27.553 -16.486 2.932 580 HA ASN 75 HA ASN 75 25.209 -18.008 2.040 581 1HB ASN 75 2HB ASN 75 25.249 -19.262 4.159 582 2HB ASN 75 1HB ASN 75 26.656 -19.549 3.160 583 1HD2 ASN 75 1HD2 ASN 75 26.369 -20.037 5.962 584 2HD2 ASN 75 2HD2 ASN 75 27.542 -19.064 6.779 585 H ALA 76 H ALA 76 23.337 -17.350 2.605 586 HA ALA 76 HA ALA 76 23.067 -14.915 4.108 587 1HB ALA 76 1HB ALA 76 20.771 -14.925 3.359 588 2HB ALA 76 2HB ALA 76 20.957 -16.568 2.739 589 3HB ALA 76 3HB ALA 76 21.857 -15.236 2.007 590 H LEU 77 H LEU 77 22.988 -18.186 4.810 591 HA LEU 77 HA LEU 77 20.807 -18.608 6.433 592 1HB LEU 77 2HB LEU 77 23.590 -19.730 6.706 593 2HB LEU 77 1HB LEU 77 22.170 -20.366 7.505 594 HG LEU 77 HG LEU 77 22.604 -20.278 4.522 595 1HD1 LEU 77 1HD1 LEU 77 22.613 -22.597 6.451 596 2HD1 LEU 77 2HD1 LEU 77 24.027 -21.915 5.646 597 3HD1 LEU 77 3HD1 LEU 77 22.768 -22.707 4.695 598 1HD2 LEU 77 1HD2 LEU 77 20.357 -21.482 6.136 599 2HD2 LEU 77 2HD2 LEU 77 20.561 -21.595 4.387 600 3HD2 LEU 77 3HD2 LEU 77 20.248 -20.031 5.139 601 H GLN 78 H GLN 78 23.939 -17.231 7.337 602 HA GLN 78 HA GLN 78 23.586 -17.198 10.111 603 1HB GLN 78 2HB GLN 78 25.138 -15.252 8.394 604 2HB GLN 78 1HB GLN 78 25.333 -15.469 10.128 605 1HG GLN 78 2HG GLN 78 26.114 -17.731 9.793 606 2HG GLN 78 1HG GLN 78 25.840 -17.593 8.056 607 1HE2 GLN 78 1HE2 GLN 78 28.280 -18.168 9.530 608 2HE2 GLN 78 2HE2 GLN 78 29.416 -16.949 9.070 609 H ARG 79 H ARG 79 22.529 -14.973 7.623 610 HA ARG 79 HA ARG 79 21.665 -13.005 9.572 611 1HB ARG 79 2HB ARG 79 21.260 -12.922 6.585 612 2HB ARG 79 1HB ARG 79 21.232 -11.577 7.714 613 1HG ARG 79 2HG ARG 79 23.740 -12.755 8.031 614 2HG ARG 79 1HG ARG 79 23.446 -12.721 6.292 615 1HD ARG 79 2HD ARG 79 24.535 -10.684 6.905 616 2HD ARG 79 1HD ARG 79 22.857 -10.315 6.507 617 HE ARG 79 HE ARG 79 23.222 -10.780 9.306 618 1HH1 ARG 79 1HH1 ARG 79 23.597 -8.396 6.762 619 2HH1 ARG 79 2HH1 ARG 79 23.506 -7.040 7.847 620 1HH2 ARG 79 1HH2 ARG 79 23.076 -8.992 10.727 621 2HH2 ARG 79 2HH2 ARG 79 23.193 -7.378 10.094 622 H ALA 80 H ALA 80 20.403 -15.533 7.657 623 HA ALA 80 HA ALA 80 17.679 -14.785 7.604 624 1HB ALA 80 1HB ALA 80 18.861 -17.554 7.466 625 2HB ALA 80 2HB ALA 80 18.630 -16.469 6.097 626 3HB ALA 80 3HB ALA 80 17.233 -17.087 6.976 627 H ARG 81 H ARG 81 19.688 -16.029 10.062 628 HA ARG 81 HA ARG 81 17.815 -17.404 11.653 629 1HB ARG 81 2HB ARG 81 20.359 -15.982 12.415 630 2HB ARG 81 1HB ARG 81 19.442 -17.021 13.492 631 1HG ARG 81 2HG ARG 81 19.765 -18.860 11.787 632 2HG ARG 81 1HG ARG 81 20.920 -17.788 10.991 633 1HD ARG 81 2HD ARG 81 21.071 -18.927 13.773 634 2HD ARG 81 1HD ARG 81 22.148 -19.251 12.415 635 HE ARG 81 HE ARG 81 22.228 -16.510 12.936 636 1HH1 ARG 81 1HH1 ARG 81 23.178 -19.533 14.410 637 2HH1 ARG 81 2HH1 ARG 81 24.433 -18.821 15.369 638 1HH2 ARG 81 1HH2 ARG 81 23.878 -15.557 14.219 639 2HH2 ARG 81 2HH2 ARG 81 24.830 -16.567 15.272 640 H THR 82 H THR 82 18.333 -14.081 11.132 641 HA THR 82 HA THR 82 17.109 -13.079 13.498 642 HB THR 82 HB THR 82 17.211 -11.711 10.802 643 HG1 THR 82 1HG THR 82 19.181 -12.119 12.795 644 1HG2 THR 82 1HG2 THR 82 17.283 -9.658 12.150 645 2HG2 THR 82 2HG2 THR 82 17.164 -10.619 13.624 646 3HG2 THR 82 3HG2 THR 82 15.822 -10.586 12.480 647 H ARG 83 H ARG 83 15.928 -14.599 10.705 648 HA ARG 83 HA ARG 83 13.150 -13.914 11.394 649 1HB ARG 83 2HB ARG 83 14.318 -15.000 8.814 650 2HB ARG 83 1HB ARG 83 12.616 -14.694 9.102 651 1HG ARG 83 2HG ARG 83 12.946 -12.354 9.183 652 2HG ARG 83 1HG ARG 83 14.698 -12.539 9.282 653 1HD ARG 83 2HD ARG 83 14.182 -11.861 7.062 654 2HD ARG 83 1HD ARG 83 14.634 -13.562 7.002 655 HE ARG 83 HE ARG 83 11.801 -13.167 7.219 656 1HH1 ARG 83 1HH1 ARG 83 14.497 -13.297 5.002 657 2HH1 ARG 83 2HH1 ARG 83 13.522 -13.669 3.616 658 1HH2 ARG 83 1HH2 ARG 83 10.484 -13.636 5.387 659 2HH2 ARG 83 2HH2 ARG 83 11.241 -13.859 3.836 660 H HIS 84 H HIS 84 11.817 -16.074 10.413 661 HA HIS 84 HA HIS 84 13.281 -18.483 11.011 662 1HB HIS 84 2HB HIS 84 11.706 -19.381 12.632 663 2HB HIS 84 1HB HIS 84 12.407 -17.887 13.227 664 HD1 HIS 84 1HD HIS 84 10.762 -16.456 14.359 665 HD2 HIS 84 2HD HIS 84 8.979 -18.793 11.422 666 HE1 HIS 84 1HE HIS 84 8.308 -15.941 14.485 667 HE2 HIS 84 2HE HIS 84 7.239 -17.536 12.853 668 HA PRO 85 HA PRO 85 10.542 -19.826 7.776 669 1HB PRO 85 2HB PRO 85 11.670 -22.431 7.815 670 2HB PRO 85 1HB PRO 85 12.124 -21.090 6.765 671 1HG PRO 85 2HG PRO 85 13.723 -22.224 8.748 672 2HG PRO 85 1HG PRO 85 13.994 -20.660 7.966 673 1HD PRO 85 2HD PRO 85 12.770 -21.273 10.614 674 2HD PRO 85 1HD PRO 85 13.778 -19.896 10.123 675 H ALA 86 H ALA 86 9.824 -22.526 7.516 676 HA ALA 86 HA ALA 86 8.246 -24.026 8.111 677 1HB ALA 86 1HB ALA 86 9.761 -24.521 9.969 678 2HB ALA 86 2HB ALA 86 8.070 -24.724 10.426 679 3HB ALA 86 3HB ALA 86 8.955 -23.289 10.945 680 H GLU 87 H GLU 87 6.487 -23.046 7.252 681 HA GLU 87 HA GLU 87 5.059 -20.884 8.262 682 1HB GLU 87 2HB GLU 87 3.163 -21.748 6.915 683 2HB GLU 87 1HB GLU 87 4.679 -21.691 6.025 684 1HG GLU 87 2HG GLU 87 4.977 -24.087 6.353 685 2HG GLU 87 1HG GLU 87 3.482 -24.150 7.286 686 H SER 88 H SER 88 5.158 -24.138 9.348 687 HA SER 88 HA SER 88 2.734 -24.578 10.554 688 1HB SER 88 2HB SER 88 5.375 -25.332 11.806 689 2HB SER 88 1HB SER 88 3.851 -26.225 11.850 690 HG SER 88 HG SER 88 4.070 -26.462 9.538 691 H CYS 89 H CYS 89 5.186 -22.324 11.493 692 HA CYS 89 HA CYS 89 4.611 -22.115 14.231 693 1HB CYS 89 2HB CYS 89 5.781 -19.929 14.100 694 2HB CYS 89 1HB CYS 89 6.685 -21.255 13.375 695 HG CYS 89 HG CYS 89 6.535 -20.474 10.842 696 H LEU 90 H LEU 90 2.907 -20.914 11.476 697 HA LEU 90 HA LEU 90 1.708 -18.656 12.674 698 1HB LEU 90 2HB LEU 90 0.072 -18.721 10.872 699 2HB LEU 90 1HB LEU 90 1.702 -18.913 10.270 700 HG LEU 90 HG LEU 90 1.150 -21.454 10.257 701 1HD1 LEU 90 1HD1 LEU 90 -1.632 -20.298 10.230 702 2HD1 LEU 90 2HD1 LEU 90 -0.947 -21.326 11.487 703 3HD1 LEU 90 3HD1 LEU 90 -1.200 -21.969 9.865 704 1HD2 LEU 90 1HD2 LEU 90 1.548 -20.116 8.268 705 2HD2 LEU 90 2HD2 LEU 90 -0.122 -19.546 8.299 706 3HD2 LEU 90 3HD2 LEU 90 0.225 -21.252 8.003 707 H GLU 91 H GLU 91 1.130 -22.007 13.067 708 HA GLU 91 HA GLU 91 -1.491 -22.012 14.054 709 1HB GLU 91 2HB GLU 91 -0.264 -24.076 13.647 710 2HB GLU 91 1HB GLU 91 0.910 -23.657 14.886 711 1HG GLU 91 2HG GLU 91 -0.912 -23.766 16.568 712 2HG GLU 91 1HG GLU 91 -1.992 -24.334 15.295 713 H HIS 92 H HIS 92 1.587 -21.243 15.554 714 HA HIS 92 HA HIS 92 0.155 -20.230 17.917 715 1HB HIS 92 2HB HIS 92 3.084 -20.955 17.640 716 2HB HIS 92 1HB HIS 92 2.324 -20.322 19.094 717 HD1 HIS 92 1HD HIS 92 0.814 -21.953 20.457 718 HD2 HIS 92 2HD HIS 92 2.682 -23.664 17.151 719 HE1 HIS 92 1HE HIS 92 0.565 -24.441 20.740 720 HE2 HIS 92 2HE HIS 92 1.636 -25.457 18.697 721 H HIS 93 H HIS 93 -0.272 -18.570 16.093 722 HA HIS 93 HA HIS 93 1.718 -16.795 15.260 723 1HB HIS 93 2HB HIS 93 -0.312 -15.162 15.056 724 2HB HIS 93 1HB HIS 93 -0.217 -16.578 14.020 725 HD1 HIS 93 1HD HIS 93 -1.963 -18.432 14.369 726 HD2 HIS 93 2HD HIS 93 -2.384 -15.205 16.962 727 HE1 HIS 93 1HE HIS 93 -4.211 -18.725 15.463 728 HE2 HIS 93 2HE HIS 93 -4.521 -16.670 16.887 729 H HIS 94 H HIS 94 1.986 -14.535 15.868 730 HA HIS 94 HA HIS 94 2.729 -13.000 17.371 731 1HB HIS 94 2HB HIS 94 0.943 -14.528 19.246 732 2HB HIS 94 1HB HIS 94 2.097 -13.359 19.880 733 HD1 HIS 94 1HD HIS 94 1.286 -11.034 20.023 734 HD2 HIS 94 2HD HIS 94 -0.889 -13.268 17.270 735 HE1 HIS 94 1HE HIS 94 -0.560 -9.523 19.229 736 HE2 HIS 94 2HE HIS 94 -1.955 -10.944 17.693 737 H HIS 95 H HIS 95 4.052 -13.179 19.707 738 HA HIS 95 HA HIS 95 5.645 -15.609 19.639 739 1HB HIS 95 2HB HIS 95 7.774 -14.396 19.347 740 2HB HIS 95 1HB HIS 95 6.739 -14.274 17.932 741 HD1 HIS 95 1HD HIS 95 8.081 -12.207 20.793 742 HD2 HIS 95 2HD HIS 95 5.991 -11.701 17.231 743 HE1 HIS 95 1HE HIS 95 8.026 -9.730 20.382 744 HE2 HIS 95 2HE HIS 95 6.623 -9.437 18.310 745 H HIS 96 H HIS 96 7.170 -15.782 21.366 746 HA HIS 96 HA HIS 96 6.286 -14.947 23.865 747 1HB HIS 96 2HB HIS 96 8.623 -15.586 24.649 748 2HB HIS 96 1HB HIS 96 7.725 -16.830 23.792 749 HD1 HIS 96 1HD HIS 96 9.062 -18.044 22.101 750 HD2 HIS 96 2HD HIS 96 10.504 -14.188 22.721 751 HE1 HIS 96 1HE HIS 96 11.114 -17.844 20.662 752 HE2 HIS 96 2HE HIS 96 11.823 -15.434 20.877 753 H HIS 97 H HIS 97 6.666 -13.257 25.161 754 HA HIS 97 HA HIS 97 7.116 -11.124 25.781 755 1HB HIS 97 2HB HIS 97 9.679 -11.576 24.243 756 2HB HIS 97 1HB HIS 97 9.372 -10.217 25.317 757 HD1 HIS 97 1HD HIS 97 11.338 -12.980 25.368 758 HD2 HIS 97 2HD HIS 97 8.396 -11.655 27.993 759 HE1 HIS 97 1HE HIS 97 11.842 -14.091 27.571 760 HE2 HIS 97 2HE HIS 97 10.207 -13.069 29.188 Start of MODEL 17 1 1H MET 1 1HT MET 1 6.334 12.403 -10.507 2 2H MET 1 2HT MET 1 5.483 11.549 -11.696 3 3H MET 1 3HT MET 1 5.419 11.042 -10.084 4 HA MET 1 HA MET 1 4.337 13.576 -11.157 5 1HB MET 1 2HB MET 1 3.035 11.548 -11.764 6 2HB MET 1 1HB MET 1 2.916 11.133 -10.061 7 1HG MET 1 2HG MET 1 1.631 13.141 -9.632 8 2HG MET 1 1HG MET 1 1.797 13.629 -11.317 9 1HE MET 1 1HE MET 1 0.619 12.410 -13.344 10 2HE MET 1 2HE MET 1 -0.319 10.925 -13.184 11 3HE MET 1 3HE MET 1 1.419 10.903 -12.887 12 HA PRO 2 HA PRO 2 5.030 15.045 -7.050 13 1HB PRO 2 2HB PRO 2 3.302 17.161 -7.113 14 2HB PRO 2 1HB PRO 2 4.909 17.176 -7.846 15 1HG PRO 2 2HG PRO 2 2.246 16.708 -9.124 16 2HG PRO 2 1HG PRO 2 3.619 17.665 -9.710 17 1HD PRO 2 2HD PRO 2 3.109 15.192 -10.648 18 2HD PRO 2 1HD PRO 2 4.767 15.797 -10.453 19 H THR 3 H THR 3 1.798 14.447 -8.216 20 HA THR 3 HA THR 3 0.890 14.027 -5.463 21 HB THR 3 HB THR 3 -0.516 15.557 -6.802 22 HG1 THR 3 1HG THR 3 -1.772 14.588 -5.327 23 1HG2 THR 3 1HG2 THR 3 -1.859 14.693 -8.663 24 2HG2 THR 3 2HG2 THR 3 -1.015 13.147 -8.554 25 3HG2 THR 3 3HG2 THR 3 -0.133 14.603 -9.017 26 H LYS 4 H LYS 4 -0.856 12.175 -5.461 27 HA LYS 4 HA LYS 4 -1.027 9.944 -5.204 28 1HB LYS 4 2HB LYS 4 -1.638 10.266 -7.630 29 2HB LYS 4 1HB LYS 4 0.008 9.819 -8.042 30 1HG LYS 4 2HG LYS 4 -1.617 7.964 -6.370 31 2HG LYS 4 1HG LYS 4 -1.919 8.058 -8.105 32 1HD LYS 4 2HD LYS 4 0.452 7.603 -8.516 33 2HD LYS 4 1HD LYS 4 0.718 7.458 -6.783 34 1HE LYS 4 2HE LYS 4 -0.827 5.567 -6.696 35 2HE LYS 4 1HE LYS 4 -1.106 5.714 -8.433 36 1HZ LYS 4 1HZ LYS 4 0.595 4.012 -7.636 37 2HZ LYS 4 2HZ LYS 4 1.618 5.338 -7.359 38 3HZ LYS 4 3HZ LYS 4 1.040 5.021 -8.921 39 H THR 5 H THR 5 0.634 10.025 -3.633 40 HA THR 5 HA THR 5 3.361 9.506 -4.408 41 HB THR 5 HB THR 5 3.615 9.569 -1.841 42 HG1 THR 5 1HG THR 5 1.555 9.363 -1.118 43 1HG2 THR 5 1HG2 THR 5 4.287 11.414 -3.285 44 2HG2 THR 5 2HG2 THR 5 3.522 12.025 -1.817 45 3HG2 THR 5 3HG2 THR 5 2.621 11.990 -3.332 46 H TYR 6 H TYR 6 4.558 7.893 -2.912 47 HA TYR 6 HA TYR 6 2.949 5.502 -2.398 48 1HB TYR 6 2HB TYR 6 4.749 4.110 -3.372 49 2HB TYR 6 1HB TYR 6 3.956 5.116 -4.571 50 HD1 TYR 6 1HD TYR 6 7.066 4.375 -2.834 51 HD2 TYR 6 2HD TYR 6 5.153 7.065 -5.521 52 HE1 TYR 6 1HE TYR 6 9.260 5.254 -3.509 53 HE2 TYR 6 2HE TYR 6 7.342 7.943 -6.209 54 HH TYR 6 HH TYR 6 9.715 8.085 -5.024 55 H SER 7 H SER 7 4.550 3.818 -1.285 56 HA SER 7 HA SER 7 6.474 5.134 0.454 57 1HB SER 7 2HB SER 7 4.140 3.534 1.543 58 2HB SER 7 1HB SER 7 5.464 4.205 2.494 59 HG SER 7 HG SER 7 4.434 6.166 1.031 60 H GLU 8 H GLU 8 7.940 3.651 1.450 61 HA GLU 8 HA GLU 8 8.559 1.422 -0.181 62 1HB GLU 8 2HB GLU 8 9.651 2.099 2.555 63 2HB GLU 8 1HB GLU 8 10.384 1.012 1.383 64 1HG GLU 8 2HG GLU 8 10.019 3.985 1.122 65 2HG GLU 8 1HG GLU 8 11.534 3.112 1.344 66 H GLU 9 H GLU 9 6.921 1.757 2.919 67 HA GLU 9 HA GLU 9 6.873 -0.935 3.656 68 1HB GLU 9 2HB GLU 9 5.004 1.352 4.259 69 2HB GLU 9 1HB GLU 9 4.890 -0.220 5.016 70 1HG GLU 9 2HG GLU 9 7.160 1.725 5.212 71 2HG GLU 9 1HG GLU 9 6.051 1.234 6.496 72 H PHE 10 H PHE 10 4.906 0.938 1.465 73 HA PHE 10 HA PHE 10 2.785 -0.895 1.123 74 1HB PHE 10 2HB PHE 10 2.747 1.489 0.391 75 2HB PHE 10 1HB PHE 10 3.902 1.093 -0.872 76 HD1 PHE 10 1HD PHE 10 0.460 0.538 0.316 77 HD2 PHE 10 2HD PHE 10 3.206 0.123 -2.907 78 HE1 PHE 10 1HE PHE 10 -1.404 0.003 -1.200 79 HE2 PHE 10 2HE PHE 10 1.351 -0.419 -4.425 80 HZ PHE 10 HZ PHE 10 -0.959 -0.476 -3.574 81 H LYS 11 H LYS 11 5.885 -0.440 -0.484 82 HA LYS 11 HA LYS 11 5.629 -2.496 -2.413 83 1HB LYS 11 2HB LYS 11 8.154 -1.452 -1.113 84 2HB LYS 11 1HB LYS 11 8.040 -2.287 -2.654 85 1HG LYS 11 2HG LYS 11 6.937 -0.436 -3.668 86 2HG LYS 11 1HG LYS 11 6.741 0.372 -2.109 87 1HD LYS 11 2HD LYS 11 9.133 0.634 -1.904 88 2HD LYS 11 1HD LYS 11 9.391 -0.278 -3.390 89 1HE LYS 11 2HE LYS 11 8.324 1.448 -4.687 90 2HE LYS 11 1HE LYS 11 7.887 2.330 -3.223 91 1HZ LYS 11 1HZ LYS 11 10.125 2.845 -2.789 92 2HZ LYS 11 2HZ LYS 11 9.918 3.139 -4.450 93 3HZ LYS 11 3HZ LYS 11 10.700 1.732 -3.933 94 H ARG 12 H ARG 12 6.946 -2.350 0.850 95 HA ARG 12 HA ARG 12 8.040 -4.915 0.999 96 1HB ARG 12 2HB ARG 12 8.669 -3.228 2.570 97 2HB ARG 12 1HB ARG 12 7.007 -2.980 3.076 98 1HG ARG 12 2HG ARG 12 8.229 -5.658 3.491 99 2HG ARG 12 1HG ARG 12 8.715 -4.328 4.545 100 1HD ARG 12 2HD ARG 12 5.858 -5.142 4.043 101 2HD ARG 12 1HD ARG 12 6.818 -5.694 5.406 102 HE ARG 12 HE ARG 12 7.001 -3.010 5.616 103 1HH1 ARG 12 1HH1 ARG 12 4.246 -5.134 5.178 104 2HH1 ARG 12 2HH1 ARG 12 3.171 -4.136 6.101 105 1HH2 ARG 12 1HH2 ARG 12 5.607 -1.722 6.860 106 2HH2 ARG 12 2HH2 ARG 12 3.950 -2.221 7.098 107 H ASP 13 H ASP 13 4.802 -3.711 1.759 108 HA ASP 13 HA ASP 13 3.904 -6.198 2.842 109 1HB ASP 13 2HB ASP 13 2.945 -3.866 3.303 110 2HB ASP 13 1HB ASP 13 2.123 -4.024 1.755 111 H ALA 14 H ALA 14 3.836 -4.678 -0.321 112 HA ALA 14 HA ALA 14 2.036 -6.368 -1.631 113 1HB ALA 14 1HB ALA 14 3.101 -5.623 -3.698 114 2HB ALA 14 2HB ALA 14 4.465 -4.988 -2.777 115 3HB ALA 14 3HB ALA 14 2.865 -4.272 -2.589 116 H VAL 15 H VAL 15 5.556 -6.667 -1.220 117 HA VAL 15 HA VAL 15 5.842 -9.031 -2.734 118 HB VAL 15 HB VAL 15 7.582 -8.110 -0.435 119 1HG1 VAL 15 1HG1 VAL 15 7.991 -10.422 -1.093 120 2HG1 VAL 15 2HG1 VAL 15 9.343 -9.385 -1.553 121 3HG1 VAL 15 3HG1 VAL 15 8.183 -9.918 -2.773 122 1HG2 VAL 15 1HG2 VAL 15 8.959 -7.025 -2.145 123 2HG2 VAL 15 2HG2 VAL 15 7.332 -6.343 -2.087 124 3HG2 VAL 15 3HG2 VAL 15 7.770 -7.467 -3.372 125 H ALA 16 H ALA 16 5.237 -8.464 0.705 126 HA ALA 16 HA ALA 16 5.396 -11.178 1.513 127 1HB ALA 16 1HB ALA 16 5.572 -9.301 3.091 128 2HB ALA 16 2HB ALA 16 4.312 -10.444 3.559 129 3HB ALA 16 3HB ALA 16 3.875 -8.914 2.799 130 H LEU 17 H LEU 17 2.791 -9.150 0.324 131 HA LEU 17 HA LEU 17 0.651 -10.917 0.820 132 1HB LEU 17 2HB LEU 17 0.524 -8.471 0.214 133 2HB LEU 17 1HB LEU 17 0.868 -8.930 -1.440 134 HG LEU 17 HG LEU 17 -1.203 -10.312 -1.441 135 1HD1 LEU 17 1HD1 LEU 17 -1.700 -8.969 1.213 136 2HD1 LEU 17 2HD1 LEU 17 -1.351 -10.681 0.979 137 3HD1 LEU 17 3HD1 LEU 17 -2.839 -9.989 0.330 138 1HD2 LEU 17 1HD2 LEU 17 -2.742 -8.392 -1.553 139 2HD2 LEU 17 2HD2 LEU 17 -1.218 -8.087 -2.385 140 3HD2 LEU 17 3HD2 LEU 17 -1.508 -7.385 -0.793 141 H TYR 18 H TYR 18 2.948 -10.619 -1.806 142 HA TYR 18 HA TYR 18 1.676 -12.343 -3.653 143 1HB TYR 18 2HB TYR 18 3.415 -10.799 -4.352 144 2HB TYR 18 1HB TYR 18 4.595 -11.617 -3.337 145 HD1 TYR 18 1HD TYR 18 6.026 -13.092 -4.355 146 HD2 TYR 18 2HD TYR 18 2.204 -12.423 -6.096 147 HE1 TYR 18 1HE TYR 18 6.626 -14.571 -6.221 148 HE2 TYR 18 2HE TYR 18 2.794 -13.899 -7.971 149 HH TYR 18 HH TYR 18 5.606 -15.895 -7.891 150 H GLU 19 H GLU 19 3.666 -12.936 -0.870 151 HA GLU 19 HA GLU 19 4.266 -15.658 -1.423 152 1HB GLU 19 2HB GLU 19 4.301 -13.970 1.048 153 2HB GLU 19 1HB GLU 19 4.487 -15.715 1.182 154 1HG GLU 19 2HG GLU 19 6.212 -13.926 -0.516 155 2HG GLU 19 1HG GLU 19 6.636 -14.512 1.093 156 H ASN 20 H ASN 20 1.417 -14.078 -0.531 157 HA ASN 20 HA ASN 20 0.157 -16.527 0.480 158 1HB ASN 20 2HB ASN 20 -0.694 -13.625 0.462 159 2HB ASN 20 1HB ASN 20 -1.772 -14.929 0.940 160 1HD2 ASN 20 1HD2 ASN 20 1.095 -13.120 1.785 161 2HD2 ASN 20 2HD2 ASN 20 1.167 -13.637 3.437 162 H SER 21 H SER 21 0.939 -16.234 -2.292 163 HA SER 21 HA SER 21 -1.224 -15.326 -3.893 164 1HB SER 21 2HB SER 21 0.128 -16.541 -5.716 165 2HB SER 21 1HB SER 21 0.870 -15.165 -4.903 166 HG SER 21 HG SER 21 2.382 -16.444 -4.231 167 H ASP 22 H ASP 22 -0.434 -18.414 -2.513 168 HA ASP 22 HA ASP 22 -1.961 -20.024 -4.260 169 1HB ASP 22 2HB ASP 22 -1.028 -20.402 -1.431 170 2HB ASP 22 1HB ASP 22 -2.126 -21.564 -2.169 171 H GLY 23 H GLY 23 -2.889 -17.721 -1.953 172 1HA GLY 23 2HA GLY 23 -5.675 -18.679 -2.129 173 2HA GLY 23 1HA GLY 23 -5.050 -17.700 -0.807 174 H ALA 24 H ALA 24 -3.669 -16.595 -3.633 175 HA ALA 24 HA ALA 24 -5.831 -14.938 -4.552 176 1HB ALA 24 1HB ALA 24 -5.280 -13.728 -2.518 177 2HB ALA 24 2HB ALA 24 -4.809 -12.789 -3.934 178 3HB ALA 24 3HB ALA 24 -3.586 -13.651 -3.001 179 H SER 25 H SER 25 -5.492 -14.783 -6.661 180 HA SER 25 HA SER 25 -3.157 -15.720 -7.894 181 1HB SER 25 2HB SER 25 -5.542 -15.626 -8.822 182 2HB SER 25 1HB SER 25 -5.190 -13.948 -9.238 183 HG SER 25 HG SER 25 -4.106 -16.331 -10.272 184 H LEU 26 H LEU 26 -1.670 -14.608 -9.273 185 HA LEU 26 HA LEU 26 -0.348 -12.506 -8.052 186 1HB LEU 26 2HB LEU 26 0.512 -14.152 -9.791 187 2HB LEU 26 1HB LEU 26 -0.218 -13.123 -11.003 188 HG LEU 26 HG LEU 26 1.851 -12.063 -9.083 189 1HD1 LEU 26 1HD1 LEU 26 3.516 -12.485 -10.842 190 2HD1 LEU 26 2HD1 LEU 26 2.301 -13.375 -11.761 191 3HD1 LEU 26 3HD1 LEU 26 2.838 -13.981 -10.194 192 1HD2 LEU 26 1HD2 LEU 26 0.520 -10.423 -10.339 193 2HD2 LEU 26 2HD2 LEU 26 0.992 -11.203 -11.847 194 3HD2 LEU 26 3HD2 LEU 26 2.210 -10.415 -10.847 195 H GLN 27 H GLN 27 -2.579 -12.416 -10.811 196 HA GLN 27 HA GLN 27 -2.453 -9.682 -11.352 197 1HB GLN 27 2HB GLN 27 -3.637 -11.415 -12.736 198 2HB GLN 27 1HB GLN 27 -4.932 -11.401 -11.547 199 1HG GLN 27 2HG GLN 27 -5.853 -9.867 -12.893 200 2HG GLN 27 1HG GLN 27 -4.731 -8.760 -12.107 201 1HE2 GLN 27 1HE2 GLN 27 -2.433 -10.114 -13.483 202 2HE2 GLN 27 2HE2 GLN 27 -2.471 -9.496 -15.096 203 H GLN 28 H GLN 28 -4.452 -11.461 -9.046 204 HA GLN 28 HA GLN 28 -6.105 -9.313 -8.289 205 1HB GLN 28 2HB GLN 28 -5.475 -11.993 -7.141 206 2HB GLN 28 1HB GLN 28 -6.328 -10.833 -6.137 207 1HG GLN 28 2HG GLN 28 -7.217 -11.773 -8.853 208 2HG GLN 28 1HG GLN 28 -7.848 -12.350 -7.309 209 1HE2 GLN 28 1HE2 GLN 28 -9.158 -10.986 -6.067 210 2HE2 GLN 28 2HE2 GLN 28 -9.898 -9.573 -6.739 211 H ILE 29 H ILE 29 -2.976 -10.401 -7.104 212 HA ILE 29 HA ILE 29 -2.889 -8.937 -4.722 213 HB ILE 29 HB ILE 29 -0.576 -9.547 -6.584 214 1HG1 ILE 29 2HG1 ILE 29 -1.802 -11.577 -5.958 215 2HG1 ILE 29 1HG1 ILE 29 -0.222 -11.543 -5.190 216 1HG2 ILE 29 1HG2 ILE 29 -0.593 -8.889 -3.641 217 2HG2 ILE 29 2HG2 ILE 29 -0.005 -7.853 -4.942 218 3HG2 ILE 29 3HG2 ILE 29 0.825 -9.366 -4.580 219 1HD1 ILE 29 1HD1 ILE 29 -1.246 -10.816 -3.103 220 2HD1 ILE 29 2HD1 ILE 29 -1.926 -12.345 -3.664 221 3HD1 ILE 29 3HD1 ILE 29 -2.831 -10.847 -3.872 222 H ALA 30 H ALA 30 -1.639 -8.050 -7.941 223 HA ALA 30 HA ALA 30 -1.022 -5.373 -7.199 224 1HB ALA 30 1HB ALA 30 0.151 -6.503 -9.010 225 2HB ALA 30 2HB ALA 30 -0.612 -5.020 -9.589 226 3HB ALA 30 3HB ALA 30 -1.342 -6.587 -9.944 227 H ASN 31 H ASN 31 -3.816 -6.960 -8.546 228 HA ASN 31 HA ASN 31 -5.148 -4.665 -9.541 229 1HB ASN 31 2HB ASN 31 -5.670 -6.992 -10.230 230 2HB ASN 31 1HB ASN 31 -6.332 -7.297 -8.629 231 1HD2 ASN 31 1HD2 ASN 31 -8.326 -7.818 -9.484 232 2HD2 ASN 31 2HD2 ASN 31 -9.400 -6.615 -10.111 233 H ASP 32 H ASP 32 -5.294 -6.389 -6.464 234 HA ASP 32 HA ASP 32 -7.398 -4.898 -5.323 235 1HB ASP 32 2HB ASP 32 -6.678 -7.059 -4.413 236 2HB ASP 32 1HB ASP 32 -5.122 -6.364 -3.972 237 H LEU 33 H LEU 33 -3.878 -4.550 -5.146 238 HA LEU 33 HA LEU 33 -3.944 -2.363 -3.350 239 1HB LEU 33 2HB LEU 33 -1.779 -3.337 -5.206 240 2HB LEU 33 1HB LEU 33 -1.554 -2.111 -3.980 241 HG LEU 33 HG LEU 33 -2.301 -4.987 -3.464 242 1HD1 LEU 33 1HD1 LEU 33 0.000 -4.755 -4.192 243 2HD1 LEU 33 2HD1 LEU 33 -0.064 -5.130 -2.470 244 3HD1 LEU 33 3HD1 LEU 33 0.268 -3.480 -3.002 245 1HD2 LEU 33 1HD2 LEU 33 -1.712 -2.731 -1.546 246 2HD2 LEU 33 2HD2 LEU 33 -1.966 -4.419 -1.102 247 3HD2 LEU 33 3HD2 LEU 33 -3.284 -3.487 -1.811 248 H GLY 34 H GLY 34 -3.781 -2.637 -6.849 249 1HA GLY 34 2HA GLY 34 -4.677 -0.955 -8.292 250 2HA GLY 34 1HA GLY 34 -4.382 0.232 -7.029 251 H ILE 35 H ILE 35 -2.114 -2.197 -8.179 252 HA ILE 35 HA ILE 35 -0.465 -0.039 -9.315 253 HB ILE 35 HB ILE 35 1.533 -1.365 -8.612 254 1HG1 ILE 35 2HG1 ILE 35 -0.470 -2.850 -6.893 255 2HG1 ILE 35 1HG1 ILE 35 0.369 -3.532 -8.281 256 1HG2 ILE 35 1HG2 ILE 35 0.896 0.600 -7.378 257 2HG2 ILE 35 2HG2 ILE 35 1.445 -0.638 -6.249 258 3HG2 ILE 35 3HG2 ILE 35 -0.278 -0.327 -6.443 259 1HD1 ILE 35 1HD1 ILE 35 1.382 -4.235 -6.201 260 2HD1 ILE 35 2HD1 ILE 35 1.652 -2.554 -5.746 261 3HD1 ILE 35 3HD1 ILE 35 2.497 -3.240 -7.133 262 H ASN 36 H ASN 36 0.983 -0.709 -11.028 263 HA ASN 36 HA ASN 36 -0.198 -2.410 -12.914 264 1HB ASN 36 2HB ASN 36 1.391 -0.528 -13.413 265 2HB ASN 36 1HB ASN 36 2.696 -1.559 -12.829 266 1HD2 ASN 36 1HD2 ASN 36 0.383 -1.016 -15.341 267 2HD2 ASN 36 2HD2 ASN 36 1.071 -2.107 -16.480 268 H ARG 37 H ARG 37 0.372 -4.464 -13.629 269 HA ARG 37 HA ARG 37 0.951 -6.294 -11.584 270 1HB ARG 37 2HB ARG 37 1.259 -7.025 -14.468 271 2HB ARG 37 1HB ARG 37 0.549 -7.937 -13.161 272 1HG ARG 37 2HG ARG 37 -0.671 -5.581 -14.568 273 2HG ARG 37 1HG ARG 37 -1.160 -7.267 -14.712 274 1HD ARG 37 2HD ARG 37 -1.848 -7.283 -12.373 275 2HD ARG 37 1HD ARG 37 -1.307 -5.613 -12.189 276 HE ARG 37 HE ARG 37 -3.363 -6.223 -14.196 277 1HH1 ARG 37 1HH1 ARG 37 -2.489 -4.666 -11.168 278 2HH1 ARG 37 2HH1 ARG 37 -3.971 -3.767 -11.071 279 1HH2 ARG 37 1HH2 ARG 37 -5.288 -5.011 -14.059 280 2HH2 ARG 37 2HH2 ARG 37 -5.551 -3.963 -12.693 281 H VAL 38 H VAL 38 2.895 -4.817 -14.090 282 HA VAL 38 HA VAL 38 5.187 -6.496 -13.685 283 HB VAL 38 HB VAL 38 5.025 -3.802 -15.058 284 1HG1 VAL 38 1HG1 VAL 38 7.303 -4.440 -14.397 285 2HG1 VAL 38 2HG1 VAL 38 7.103 -4.444 -16.149 286 3HG1 VAL 38 3HG1 VAL 38 7.117 -5.967 -15.260 287 1HG2 VAL 38 1HG2 VAL 38 4.909 -5.099 -17.142 288 2HG2 VAL 38 2HG2 VAL 38 3.530 -5.424 -16.092 289 3HG2 VAL 38 3HG2 VAL 38 4.848 -6.590 -16.201 290 H THR 39 H THR 39 4.126 -3.314 -12.561 291 HA THR 39 HA THR 39 6.478 -2.536 -11.251 292 HB THR 39 HB THR 39 3.657 -1.900 -10.365 293 HG1 THR 39 1HG THR 39 5.297 -0.622 -12.324 294 1HG2 THR 39 1HG2 THR 39 4.650 0.189 -9.567 295 2HG2 THR 39 2HG2 THR 39 6.238 -0.350 -10.110 296 3HG2 THR 39 3HG2 THR 39 5.420 -1.202 -8.801 297 H LEU 40 H LEU 40 3.754 -4.519 -10.186 298 HA LEU 40 HA LEU 40 4.525 -4.943 -7.527 299 1HB LEU 40 2HB LEU 40 2.349 -5.616 -8.363 300 2HB LEU 40 1HB LEU 40 3.091 -6.764 -9.459 301 HG LEU 40 HG LEU 40 3.931 -8.029 -7.468 302 1HD1 LEU 40 1HD1 LEU 40 3.874 -6.229 -5.834 303 2HD1 LEU 40 2HD1 LEU 40 2.887 -7.589 -5.299 304 3HD1 LEU 40 3HD1 LEU 40 2.119 -6.147 -5.962 305 1HD2 LEU 40 1HD2 LEU 40 0.946 -7.668 -7.685 306 2HD2 LEU 40 2HD2 LEU 40 1.768 -9.041 -6.941 307 3HD2 LEU 40 3HD2 LEU 40 1.942 -8.738 -8.671 308 H LYS 41 H LYS 41 5.139 -6.956 -10.382 309 HA LYS 41 HA LYS 41 6.791 -8.883 -9.265 310 1HB LYS 41 2HB LYS 41 5.820 -8.850 -11.574 311 2HB LYS 41 1HB LYS 41 7.041 -7.674 -12.024 312 1HG LYS 41 2HG LYS 41 8.782 -9.351 -11.410 313 2HG LYS 41 1HG LYS 41 7.481 -10.528 -11.196 314 1HD LYS 41 2HD LYS 41 6.769 -10.095 -13.531 315 2HD LYS 41 1HD LYS 41 8.163 -9.033 -13.726 316 1HE LYS 41 2HE LYS 41 9.658 -10.920 -13.264 317 2HE LYS 41 1HE LYS 41 8.258 -11.977 -13.075 318 1HZ LYS 41 1HZ LYS 41 7.675 -11.186 -15.432 319 2HZ LYS 41 2HZ LYS 41 8.901 -12.338 -15.250 320 3HZ LYS 41 3HZ LYS 41 9.302 -10.714 -15.530 321 H ASN 42 H ASN 42 7.582 -5.762 -10.646 322 HA ASN 42 HA ASN 42 10.349 -5.770 -10.595 323 1HB ASN 42 2HB ASN 42 8.637 -4.001 -11.410 324 2HB ASN 42 1HB ASN 42 8.732 -3.370 -9.781 325 1HD2 ASN 42 1HD2 ASN 42 9.557 -1.435 -10.617 326 2HD2 ASN 42 2HD2 ASN 42 11.207 -1.297 -11.123 327 H TRP 43 H TRP 43 8.170 -4.491 -8.123 328 HA TRP 43 HA TRP 43 10.108 -3.967 -6.171 329 1HB TRP 43 2HB TRP 43 7.173 -4.615 -5.866 330 2HB TRP 43 1HB TRP 43 8.196 -4.086 -4.536 331 HD1 TRP 43 HD TRP 43 9.684 -1.931 -6.749 332 HE1 TRP 43 1HE TRP 43 8.462 0.318 -7.064 333 HE3 TRP 43 3HE TRP 43 5.097 -3.257 -4.931 334 HZ2 TRP 43 2HZ TRP 43 5.897 1.378 -6.591 335 HZ3 TRP 43 3HZ TRP 43 3.314 -1.564 -4.883 336 HH2 TRP 43 HH TRP 43 3.706 0.709 -5.699 337 H ILE 44 H ILE 44 8.243 -6.909 -6.795 338 HA ILE 44 HA ILE 44 8.984 -8.351 -4.512 339 HB ILE 44 HB ILE 44 8.388 -9.407 -7.280 340 1HG1 ILE 44 2HG1 ILE 44 6.589 -9.181 -4.859 341 2HG1 ILE 44 1HG1 ILE 44 6.587 -8.054 -6.212 342 1HG2 ILE 44 1HG2 ILE 44 9.556 -11.098 -6.011 343 2HG2 ILE 44 2HG2 ILE 44 7.851 -11.531 -6.144 344 3HG2 ILE 44 3HG2 ILE 44 8.475 -10.858 -4.638 345 1HD1 ILE 44 1HD1 ILE 44 5.913 -9.860 -7.711 346 2HD1 ILE 44 2HD1 ILE 44 4.771 -9.655 -6.385 347 3HD1 ILE 44 3HD1 ILE 44 5.923 -10.990 -6.355 348 H ILE 45 H ILE 45 10.561 -8.172 -7.694 349 HA ILE 45 HA ILE 45 12.632 -10.007 -7.047 350 HB ILE 45 HB ILE 45 12.561 -7.876 -9.184 351 1HG1 ILE 45 2HG1 ILE 45 11.940 -10.838 -9.346 352 2HG1 ILE 45 1HG1 ILE 45 10.736 -9.553 -9.335 353 1HG2 ILE 45 1HG2 ILE 45 14.379 -10.263 -8.859 354 2HG2 ILE 45 2HG2 ILE 45 14.835 -8.563 -8.740 355 3HG2 ILE 45 3HG2 ILE 45 14.303 -9.225 -10.285 356 1HD1 ILE 45 1HD1 ILE 45 11.124 -10.381 -11.581 357 2HD1 ILE 45 2HD1 ILE 45 12.839 -9.984 -11.448 358 3HD1 ILE 45 3HD1 ILE 45 11.631 -8.697 -11.437 359 H LYS 46 H LYS 46 12.454 -6.466 -7.063 360 HA LYS 46 HA LYS 46 15.207 -6.111 -6.405 361 1HB LYS 46 2HB LYS 46 14.035 -4.365 -7.592 362 2HB LYS 46 1HB LYS 46 12.855 -4.215 -6.297 363 1HG LYS 46 2HG LYS 46 14.562 -3.362 -4.803 364 2HG LYS 46 1HG LYS 46 15.788 -3.567 -6.057 365 1HD LYS 46 2HD LYS 46 14.704 -1.926 -7.450 366 2HD LYS 46 1HD LYS 46 13.355 -1.805 -6.317 367 1HE LYS 46 2HE LYS 46 14.946 0.067 -6.118 368 2HE LYS 46 1HE LYS 46 14.794 -0.866 -4.631 369 1HZ LYS 46 1HZ LYS 46 16.886 -1.788 -4.899 370 2HZ LYS 46 2HZ LYS 46 17.116 -0.193 -5.437 371 3HZ LYS 46 3HZ LYS 46 16.947 -1.453 -6.561 372 H TYR 47 H TYR 47 12.215 -5.767 -4.478 373 HA TYR 47 HA TYR 47 13.784 -5.107 -2.150 374 1HB TYR 47 2HB TYR 47 10.813 -5.415 -2.576 375 2HB TYR 47 1HB TYR 47 11.532 -5.030 -1.012 376 HD1 TYR 47 1HD TYR 47 11.017 -3.814 -4.452 377 HD2 TYR 47 2HD TYR 47 12.393 -2.850 -0.543 378 HE1 TYR 47 1HE TYR 47 11.133 -1.442 -5.084 379 HE2 TYR 47 2HE TYR 47 12.508 -0.475 -1.166 380 HH TYR 47 HH TYR 47 12.664 0.919 -3.084 381 H GLY 48 H GLY 48 12.234 -7.944 -3.444 382 1HA GLY 48 2HA GLY 48 12.436 -9.541 -1.091 383 2HA GLY 48 1HA GLY 48 12.293 -10.140 -2.739 384 H SER 49 H SER 49 14.776 -8.265 -3.166 385 HA SER 49 HA SER 49 16.741 -10.331 -2.814 386 1HB SER 49 2HB SER 49 16.752 -8.822 -4.790 387 2HB SER 49 1HB SER 49 17.105 -7.460 -3.728 388 HG SER 49 HG SER 49 18.756 -9.758 -3.774 389 H ASN 50 H ASN 50 15.650 -7.601 -1.017 390 HA ASN 50 HA ASN 50 18.015 -7.036 0.410 391 1HB ASN 50 2HB ASN 50 15.133 -6.619 1.143 392 2HB ASN 50 1HB ASN 50 16.458 -6.091 2.161 393 1HD2 ASN 50 1HD2 ASN 50 14.649 -5.494 -0.703 394 2HD2 ASN 50 2HD2 ASN 50 15.384 -3.975 -1.100 395 H HIS 51 H HIS 51 19.021 -8.119 1.815 396 HA HIS 51 HA HIS 51 18.180 -10.640 2.805 397 1HB HIS 51 2HB HIS 51 20.534 -10.183 2.400 398 2HB HIS 51 1HB HIS 51 20.515 -8.867 3.567 399 HD1 HIS 51 1HD HIS 51 20.643 -12.609 3.327 400 HD2 HIS 51 2HD HIS 51 20.679 -9.643 6.252 401 HE1 HIS 51 1HE HIS 51 21.324 -13.755 5.456 402 HE2 HIS 51 2HE HIS 51 21.285 -11.964 7.225 403 H ASN 52 H ASN 52 18.265 -7.391 4.145 404 HA ASN 52 HA ASN 52 16.311 -7.929 6.093 405 1HB ASN 52 2HB ASN 52 18.310 -9.093 7.116 406 2HB ASN 52 1HB ASN 52 19.086 -7.518 7.228 407 1HD2 ASN 52 1HD2 ASN 52 18.259 -9.447 9.289 408 2HD2 ASN 52 2HD2 ASN 52 17.229 -8.570 10.366 409 H VAL 53 H VAL 53 15.317 -6.079 6.257 410 HA VAL 53 HA VAL 53 16.111 -3.698 5.116 411 HB VAL 53 HB VAL 53 14.322 -2.596 6.465 412 1HG1 VAL 53 1HG1 VAL 53 12.479 -3.849 5.457 413 2HG1 VAL 53 2HG1 VAL 53 13.570 -5.201 5.148 414 3HG1 VAL 53 3HG1 VAL 53 13.825 -3.657 4.331 415 1HG2 VAL 53 1HG2 VAL 53 14.535 -3.918 8.522 416 2HG2 VAL 53 2HG2 VAL 53 13.970 -5.350 7.661 417 3HG2 VAL 53 3HG2 VAL 53 12.887 -3.979 7.893 418 H GLN 54 H GLN 54 16.477 -4.736 8.482 419 HA GLN 54 HA GLN 54 17.610 -3.912 10.246 420 1HB GLN 54 2HB GLN 54 19.401 -3.132 7.963 421 2HB GLN 54 1HB GLN 54 19.847 -2.869 9.639 422 1HG GLN 54 2HG GLN 54 19.140 -5.542 8.468 423 2HG GLN 54 1HG GLN 54 20.784 -4.940 8.691 424 1HE2 GLN 54 1HE2 GLN 54 17.915 -6.115 10.274 425 2HE2 GLN 54 2HE2 GLN 54 18.646 -6.399 11.815 426 H GLY 55 H GLY 55 16.206 -2.434 11.116 427 1HA GLY 55 2HA GLY 55 17.088 0.005 11.796 428 2HA GLY 55 1HA GLY 55 16.266 0.324 10.273 429 H THR 56 H THR 56 14.480 1.333 10.822 430 HA THR 56 HA THR 56 12.524 -0.044 12.457 431 HB THR 56 HB THR 56 12.036 2.292 13.556 432 HG1 THR 56 1HG THR 56 14.420 2.711 12.349 433 1HG2 THR 56 1HG2 THR 56 12.588 0.237 14.774 434 2HG2 THR 56 2HG2 THR 56 13.365 1.645 15.497 435 3HG2 THR 56 3HG2 THR 56 14.304 0.535 14.497 436 H THR 57 H THR 57 11.125 -0.268 10.881 437 HA THR 57 HA THR 57 10.537 1.655 8.898 438 HB THR 57 HB THR 57 8.535 0.160 8.471 439 HG1 THR 57 1HG THR 57 8.466 -1.786 9.636 440 1HG2 THR 57 1HG2 THR 57 10.611 -0.169 7.264 441 2HG2 THR 57 2HG2 THR 57 9.924 -1.737 7.687 442 3HG2 THR 57 3HG2 THR 57 11.283 -1.092 8.609 443 HA PRO 58 HA PRO 58 7.921 4.477 10.968 444 1HB PRO 58 2HB PRO 58 6.290 4.618 8.508 445 2HB PRO 58 1HB PRO 58 7.202 5.886 9.329 446 1HG PRO 58 2HG PRO 58 8.052 4.849 7.022 447 2HG PRO 58 1HG PRO 58 9.191 5.306 8.303 448 1HD PRO 58 2HD PRO 58 8.180 2.587 7.548 449 2HD PRO 58 1HD PRO 58 9.823 3.091 7.999 450 H SER 59 H SER 59 6.663 3.662 12.506 451 HA SER 59 HA SER 59 4.558 1.788 12.021 452 1HB SER 59 2HB SER 59 4.038 2.347 14.487 453 2HB SER 59 1HB SER 59 5.586 1.583 14.127 454 HG SER 59 HG SER 59 5.361 3.667 15.518 455 H ALA 60 H ALA 60 4.839 5.184 11.937 456 HA ALA 60 HA ALA 60 2.281 6.029 12.685 457 1HB ALA 60 1HB ALA 60 4.170 7.554 12.393 458 2HB ALA 60 2HB ALA 60 2.774 8.065 11.445 459 3HB ALA 60 3HB ALA 60 4.131 7.268 10.653 460 H ALA 61 H ALA 61 3.279 4.312 9.894 461 HA ALA 61 HA ALA 61 1.279 5.299 8.113 462 1HB ALA 61 1HB ALA 61 1.994 3.518 6.620 463 2HB ALA 61 2HB ALA 61 2.921 2.780 7.929 464 3HB ALA 61 3HB ALA 61 3.388 4.360 7.299 465 H VAL 62 H VAL 62 1.072 3.342 10.761 466 HA VAL 62 HA VAL 62 -0.987 1.565 9.809 467 HB VAL 62 HB VAL 62 -0.123 2.166 12.651 468 1HG1 VAL 62 1HG1 VAL 62 -1.265 0.086 13.233 469 2HG1 VAL 62 2HG1 VAL 62 -1.798 -0.097 11.562 470 3HG1 VAL 62 3HG1 VAL 62 -2.391 1.251 12.533 471 1HG2 VAL 62 1HG2 VAL 62 1.673 1.209 11.275 472 2HG2 VAL 62 2HG2 VAL 62 0.615 -0.135 10.839 473 3HG2 VAL 62 3HG2 VAL 62 1.125 0.079 12.514 474 H SER 63 H SER 63 -0.774 4.665 11.376 475 HA SER 63 HA SER 63 -3.512 4.823 12.170 476 1HB SER 63 2HB SER 63 -1.625 7.136 11.669 477 2HB SER 63 1HB SER 63 -3.041 7.115 12.717 478 HG SER 63 HG SER 63 -0.596 6.649 13.430 479 H GLU 64 H GLU 64 -1.636 5.920 9.398 480 HA GLU 64 HA GLU 64 -3.674 7.548 8.289 481 1HB GLU 64 2HB GLU 64 -0.963 7.181 7.883 482 2HB GLU 64 1HB GLU 64 -1.680 6.569 6.401 483 1HG GLU 64 2HG GLU 64 -1.130 8.895 6.143 484 2HG GLU 64 1HG GLU 64 -2.883 8.695 6.128 485 H ALA 65 H ALA 65 -3.041 4.192 8.188 486 HA ALA 65 HA ALA 65 -4.031 3.459 5.687 487 1HB ALA 65 1HB ALA 65 -4.365 1.240 6.648 488 2HB ALA 65 2HB ALA 65 -4.166 1.908 8.269 489 3HB ALA 65 3HB ALA 65 -2.815 1.925 7.134 490 H GLU 66 H GLU 66 -5.685 4.425 8.570 491 HA GLU 66 HA GLU 66 -8.242 3.380 8.083 492 1HB GLU 66 2HB GLU 66 -7.385 4.472 10.198 493 2HB GLU 66 1HB GLU 66 -7.593 6.022 9.403 494 1HG GLU 66 2HG GLU 66 -9.960 5.691 9.240 495 2HG GLU 66 1HG GLU 66 -9.816 4.047 9.862 496 H GLN 67 H GLN 67 -6.753 6.445 7.172 497 HA GLN 67 HA GLN 67 -9.064 7.396 5.761 498 1HB GLN 67 2HB GLN 67 -6.206 8.393 5.791 499 2HB GLN 67 1HB GLN 67 -7.573 9.249 5.089 500 1HG GLN 67 2HG GLN 67 -8.580 9.556 7.212 501 2HG GLN 67 1HG GLN 67 -7.429 8.470 7.987 502 1HE2 GLN 67 1HE2 GLN 67 -6.788 10.028 9.449 503 2HE2 GLN 67 2HE2 GLN 67 -5.790 11.361 9.000 504 H ILE 68 H ILE 68 -6.034 5.818 4.967 505 HA ILE 68 HA ILE 68 -6.070 6.107 2.189 506 HB ILE 68 HB ILE 68 -4.950 3.890 3.902 507 1HG1 ILE 68 2HG1 ILE 68 -3.615 6.234 2.529 508 2HG1 ILE 68 1HG1 ILE 68 -3.990 6.133 4.249 509 1HG2 ILE 68 1HG2 ILE 68 -4.428 4.409 0.970 510 2HG2 ILE 68 2HG2 ILE 68 -5.343 3.056 1.636 511 3HG2 ILE 68 3HG2 ILE 68 -3.621 3.205 1.980 512 1HD1 ILE 68 1HD1 ILE 68 -2.460 4.248 4.471 513 2HD1 ILE 68 2HD1 ILE 68 -1.645 5.667 3.819 514 3HD1 ILE 68 3HD1 ILE 68 -2.090 4.336 2.749 515 H ARG 69 H ARG 69 -7.485 3.568 4.238 516 HA ARG 69 HA ARG 69 -8.409 1.949 2.118 517 1HB ARG 69 2HB ARG 69 -8.132 1.261 4.528 518 2HB ARG 69 1HB ARG 69 -9.612 2.141 4.881 519 1HG ARG 69 2HG ARG 69 -10.860 0.680 3.393 520 2HG ARG 69 1HG ARG 69 -9.375 -0.186 2.982 521 1HD ARG 69 2HD ARG 69 -9.128 -0.741 5.408 522 2HD ARG 69 1HD ARG 69 -10.721 -0.037 5.674 523 HE ARG 69 HE ARG 69 -10.460 -2.208 3.718 524 1HH1 ARG 69 1HH1 ARG 69 -11.615 -1.060 6.833 525 2HH1 ARG 69 2HH1 ARG 69 -12.577 -2.481 7.136 526 1HH2 ARG 69 1HH2 ARG 69 -11.754 -4.043 4.095 527 2HH2 ARG 69 2HH2 ARG 69 -12.693 -4.153 5.558 528 H GLN 70 H GLN 70 -9.864 4.616 3.881 529 HA GLN 70 HA GLN 70 -12.453 4.407 2.735 530 1HB GLN 70 2HB GLN 70 -11.351 5.810 4.786 531 2HB GLN 70 1HB GLN 70 -11.467 7.065 3.563 532 1HG GLN 70 2HG GLN 70 -13.741 5.379 4.580 533 2HG GLN 70 1HG GLN 70 -13.393 7.040 5.034 534 1HE2 GLN 70 1HE2 GLN 70 -13.771 8.701 3.530 535 2HE2 GLN 70 2HE2 GLN 70 -14.796 8.462 2.159 536 H LEU 71 H LEU 71 -9.486 6.105 1.894 537 HA LEU 71 HA LEU 71 -10.582 7.781 -0.103 538 1HB LEU 71 2HB LEU 71 -8.442 8.212 1.030 539 2HB LEU 71 1HB LEU 71 -7.743 6.814 0.234 540 HG LEU 71 HG LEU 71 -8.110 7.925 -1.962 541 1HD1 LEU 71 1HD1 LEU 71 -8.882 10.303 -0.270 542 2HD1 LEU 71 2HD1 LEU 71 -9.980 9.362 -1.276 543 3HD1 LEU 71 3HD1 LEU 71 -8.680 10.288 -2.024 544 1HD2 LEU 71 1HD2 LEU 71 -6.509 9.553 0.012 545 2HD2 LEU 71 2HD2 LEU 71 -6.287 9.511 -1.739 546 3HD2 LEU 71 3HD2 LEU 71 -5.961 8.072 -0.771 547 H LYS 72 H LYS 72 -8.895 4.649 -0.286 548 HA LYS 72 HA LYS 72 -9.155 4.551 -3.147 549 1HB LYS 72 2HB LYS 72 -8.200 2.329 -3.014 550 2HB LYS 72 1HB LYS 72 -7.277 3.435 -2.010 551 1HG LYS 72 2HG LYS 72 -8.236 2.539 -0.017 552 2HG LYS 72 1HG LYS 72 -9.390 1.577 -0.943 553 1HD LYS 72 2HD LYS 72 -6.390 1.249 -1.007 554 2HD LYS 72 1HD LYS 72 -7.513 0.224 -0.109 555 1HE LYS 72 2HE LYS 72 -8.564 -0.499 -2.152 556 2HE LYS 72 1HE LYS 72 -7.592 0.630 -3.094 557 1HZ LYS 72 1HZ LYS 72 -5.613 -0.609 -2.389 558 2HZ LYS 72 2HZ LYS 72 -6.685 -1.565 -3.277 559 3HZ LYS 72 3HZ LYS 72 -6.598 -1.734 -1.590 560 H LYS 73 H LYS 73 -11.118 3.737 -0.491 561 HA LYS 73 HA LYS 73 -13.181 2.847 -0.266 562 1HB LYS 73 2HB LYS 73 -13.299 3.301 -3.247 563 2HB LYS 73 1HB LYS 73 -14.680 2.850 -2.256 564 1HG LYS 73 2HG LYS 73 -14.498 4.903 -1.003 565 2HG LYS 73 1HG LYS 73 -13.042 5.347 -1.895 566 1HD LYS 73 2HD LYS 73 -14.311 5.456 -3.959 567 2HD LYS 73 1HD LYS 73 -15.770 4.936 -3.111 568 1HE LYS 73 2HE LYS 73 -15.692 6.946 -1.732 569 2HE LYS 73 1HE LYS 73 -14.219 7.460 -2.554 570 1HZ LYS 73 1HZ LYS 73 -16.796 7.005 -3.960 571 2HZ LYS 73 2HZ LYS 73 -15.398 7.751 -4.572 572 3HZ LYS 73 3HZ LYS 73 -16.308 8.515 -3.362 573 H GLU 74 H GLU 74 -12.402 0.844 0.414 574 HA GLU 74 HA GLU 74 -11.851 -1.284 -1.382 575 1HB GLU 74 2HB GLU 74 -11.124 -1.163 1.027 576 2HB GLU 74 1HB GLU 74 -12.784 -1.521 1.482 577 1HG GLU 74 2HG GLU 74 -12.660 -3.658 0.326 578 2HG GLU 74 1HG GLU 74 -11.013 -3.293 -0.188 579 H ASN 75 H ASN 75 -13.270 -2.203 -2.668 580 HA ASN 75 HA ASN 75 -16.103 -2.195 -1.887 581 1HB ASN 75 2HB ASN 75 -16.607 -2.211 -4.319 582 2HB ASN 75 1HB ASN 75 -15.737 -0.768 -3.805 583 1HD2 ASN 75 1HD2 ASN 75 -13.652 -0.424 -4.504 584 2HD2 ASN 75 2HD2 ASN 75 -12.937 -1.354 -5.776 585 H ALA 76 H ALA 76 -17.404 -3.956 -2.717 586 HA ALA 76 HA ALA 76 -16.168 -6.433 -2.095 587 1HB ALA 76 1HB ALA 76 -18.946 -5.896 -3.119 588 2HB ALA 76 2HB ALA 76 -18.459 -5.903 -1.424 589 3HB ALA 76 3HB ALA 76 -18.383 -7.389 -2.372 590 H LEU 77 H LEU 77 -16.802 -4.749 -5.026 591 HA LEU 77 HA LEU 77 -17.063 -6.892 -6.812 592 1HB LEU 77 2HB LEU 77 -15.887 -4.157 -7.311 593 2HB LEU 77 1HB LEU 77 -16.455 -5.272 -8.534 594 HG LEU 77 HG LEU 77 -18.179 -3.937 -6.449 595 1HD1 LEU 77 1HD1 LEU 77 -17.405 -2.370 -8.132 596 2HD1 LEU 77 2HD1 LEU 77 -19.123 -2.714 -8.348 597 3HD1 LEU 77 3HD1 LEU 77 -17.932 -3.462 -9.413 598 1HD2 LEU 77 1HD2 LEU 77 -18.994 -6.164 -7.057 599 2HD2 LEU 77 2HD2 LEU 77 -18.942 -5.714 -8.764 600 3HD2 LEU 77 3HD2 LEU 77 -20.056 -4.895 -7.668 601 H GLN 78 H GLN 78 -14.205 -4.988 -5.883 602 HA GLN 78 HA GLN 78 -12.360 -6.446 -7.441 603 1HB GLN 78 2HB GLN 78 -12.038 -4.698 -5.007 604 2HB GLN 78 1HB GLN 78 -10.665 -5.441 -5.817 605 1HG GLN 78 2HG GLN 78 -12.640 -3.629 -7.187 606 2HG GLN 78 1HG GLN 78 -11.127 -3.078 -6.467 607 1HE2 GLN 78 1HE2 GLN 78 -9.186 -3.618 -7.434 608 2HE2 GLN 78 2HE2 GLN 78 -9.089 -4.226 -9.050 609 H ARG 79 H ARG 79 -13.763 -7.077 -4.321 610 HA ARG 79 HA ARG 79 -11.720 -8.956 -3.532 611 1HB ARG 79 2HB ARG 79 -13.031 -7.551 -1.910 612 2HB ARG 79 1HB ARG 79 -14.443 -8.521 -2.295 613 1HG ARG 79 2HG ARG 79 -13.546 -9.357 -0.272 614 2HG ARG 79 1HG ARG 79 -13.155 -10.530 -1.534 615 1HD ARG 79 2HD ARG 79 -11.207 -10.245 -0.188 616 2HD ARG 79 1HD ARG 79 -10.910 -9.446 -1.732 617 HE ARG 79 HE ARG 79 -11.673 -7.985 0.718 618 1HH1 ARG 79 1HH1 ARG 79 -9.782 -8.303 -2.204 619 2HH1 ARG 79 2HH1 ARG 79 -8.915 -6.806 -1.964 620 1HH2 ARG 79 1HH2 ARG 79 -10.523 -6.015 1.043 621 2HH2 ARG 79 2HH2 ARG 79 -9.323 -5.537 -0.117 622 H ALA 80 H ALA 80 -14.764 -9.014 -5.139 623 HA ALA 80 HA ALA 80 -15.199 -11.847 -4.850 624 1HB ALA 80 1HB ALA 80 -17.097 -10.322 -5.006 625 2HB ALA 80 2HB ALA 80 -17.118 -11.500 -6.322 626 3HB ALA 80 3HB ALA 80 -16.586 -9.845 -6.626 627 H ARG 81 H ARG 81 -13.449 -9.829 -6.963 628 HA ARG 81 HA ARG 81 -13.656 -11.319 -9.359 629 1HB ARG 81 2HB ARG 81 -11.708 -9.268 -8.363 630 2HB ARG 81 1HB ARG 81 -11.486 -10.064 -9.909 631 1HG ARG 81 2HG ARG 81 -13.720 -9.255 -10.602 632 2HG ARG 81 1HG ARG 81 -13.841 -8.389 -9.069 633 1HD ARG 81 2HD ARG 81 -13.117 -6.899 -10.852 634 2HD ARG 81 1HD ARG 81 -11.850 -7.094 -9.642 635 HE ARG 81 HE ARG 81 -11.133 -8.936 -11.420 636 1HH1 ARG 81 1HH1 ARG 81 -12.139 -5.619 -11.874 637 2HH1 ARG 81 2HH1 ARG 81 -11.225 -5.397 -13.337 638 1HH2 ARG 81 1HH2 ARG 81 -9.914 -8.654 -13.335 639 2HH2 ARG 81 2HH2 ARG 81 -9.934 -7.125 -14.158 640 H THR 82 H THR 82 -12.022 -11.994 -6.522 641 HA THR 82 HA THR 82 -9.696 -13.264 -7.316 642 HB THR 82 HB THR 82 -11.440 -14.156 -5.022 643 HG1 THR 82 1HG THR 82 -11.092 -12.219 -4.240 644 1HG2 THR 82 1HG2 THR 82 -9.301 -14.739 -3.980 645 2HG2 THR 82 2HG2 THR 82 -8.445 -14.193 -5.422 646 3HG2 THR 82 3HG2 THR 82 -9.509 -15.596 -5.510 647 H ARG 83 H ARG 83 -12.309 -15.268 -6.092 648 HA ARG 83 HA ARG 83 -12.093 -16.937 -8.489 649 1HB ARG 83 2HB ARG 83 -12.154 -17.740 -5.602 650 2HB ARG 83 1HB ARG 83 -12.775 -18.823 -6.835 651 1HG ARG 83 2HG ARG 83 -10.548 -18.639 -7.980 652 2HG ARG 83 1HG ARG 83 -9.974 -17.775 -6.553 653 1HD ARG 83 2HD ARG 83 -11.103 -20.573 -6.592 654 2HD ARG 83 1HD ARG 83 -9.398 -20.147 -6.450 655 HE ARG 83 HE ARG 83 -11.335 -19.231 -4.433 656 1HH1 ARG 83 1HH1 ARG 83 -8.590 -21.222 -5.303 657 2HH1 ARG 83 2HH1 ARG 83 -8.043 -21.407 -3.663 658 1HH2 ARG 83 1HH2 ARG 83 -10.636 -19.505 -2.267 659 2HH2 ARG 83 2HH2 ARG 83 -9.207 -20.451 -1.941 660 H HIS 84 H HIS 84 -13.987 -18.000 -9.139 661 HA HIS 84 HA HIS 84 -16.457 -16.931 -7.945 662 1HB HIS 84 2HB HIS 84 -17.418 -16.545 -10.112 663 2HB HIS 84 1HB HIS 84 -15.848 -15.752 -10.089 664 HD1 HIS 84 1HD HIS 84 -17.863 -18.038 -12.047 665 HD2 HIS 84 2HD HIS 84 -13.799 -17.347 -11.515 666 HE1 HIS 84 1HE HIS 84 -16.732 -19.133 -14.002 667 HE2 HIS 84 2HE HIS 84 -14.270 -18.924 -13.516 668 HA PRO 85 HA PRO 85 -17.840 -21.142 -7.976 669 1HB PRO 85 2HB PRO 85 -20.512 -20.822 -8.415 670 2HB PRO 85 1HB PRO 85 -19.743 -20.509 -6.856 671 1HG PRO 85 2HG PRO 85 -20.546 -18.586 -8.996 672 2HG PRO 85 1HG PRO 85 -20.709 -18.434 -7.237 673 1HD PRO 85 2HD PRO 85 -18.742 -17.206 -8.631 674 2HD PRO 85 1HD PRO 85 -18.511 -17.780 -6.969 675 H ALA 86 H ALA 86 -19.240 -22.656 -9.385 676 HA ALA 86 HA ALA 86 -18.523 -22.086 -12.169 677 1HB ALA 86 1HB ALA 86 -17.522 -24.095 -11.199 678 2HB ALA 86 2HB ALA 86 -18.630 -24.512 -12.509 679 3HB ALA 86 3HB ALA 86 -19.129 -24.722 -10.830 680 H GLU 87 H GLU 87 -20.138 -21.305 -13.353 681 HA GLU 87 HA GLU 87 -22.893 -21.799 -12.818 682 1HB GLU 87 2HB GLU 87 -21.637 -20.870 -15.412 683 2HB GLU 87 1HB GLU 87 -23.327 -20.712 -14.959 684 1HG GLU 87 2HG GLU 87 -22.640 -18.621 -14.473 685 2HG GLU 87 1HG GLU 87 -22.264 -19.381 -12.928 686 H SER 88 H SER 88 -20.425 -23.455 -14.483 687 HA SER 88 HA SER 88 -21.712 -24.913 -16.426 688 1HB SER 88 2HB SER 88 -19.515 -25.985 -14.656 689 2HB SER 88 1HB SER 88 -19.827 -26.370 -16.352 690 HG SER 88 HG SER 88 -18.166 -24.867 -16.274 691 H CYS 89 H CYS 89 -22.003 -25.248 -13.004 692 HA CYS 89 HA CYS 89 -22.582 -27.969 -12.764 693 1HB CYS 89 2HB CYS 89 -23.674 -27.334 -10.622 694 2HB CYS 89 1HB CYS 89 -22.065 -26.645 -10.816 695 HG CYS 89 HG CYS 89 -22.744 -24.116 -10.913 696 H LEU 90 H LEU 90 -24.514 -25.397 -14.007 697 HA LEU 90 HA LEU 90 -27.049 -26.548 -13.383 698 1HB LEU 90 2HB LEU 90 -28.001 -24.845 -14.850 699 2HB LEU 90 1HB LEU 90 -26.871 -24.167 -13.700 700 HG LEU 90 HG LEU 90 -25.173 -24.327 -15.680 701 1HD1 LEU 90 1HD1 LEU 90 -26.611 -25.574 -17.196 702 2HD1 LEU 90 2HD1 LEU 90 -26.218 -23.989 -17.863 703 3HD1 LEU 90 3HD1 LEU 90 -27.805 -24.278 -17.148 704 1HD2 LEU 90 1HD2 LEU 90 -25.816 -22.077 -16.372 705 2HD2 LEU 90 2HD2 LEU 90 -25.918 -22.269 -14.621 706 3HD2 LEU 90 3HD2 LEU 90 -27.387 -22.287 -15.597 707 H GLU 91 H GLU 91 -24.743 -27.181 -15.836 708 HA GLU 91 HA GLU 91 -26.412 -28.242 -17.841 709 1HB GLU 91 2HB GLU 91 -23.585 -28.377 -17.147 710 2HB GLU 91 1HB GLU 91 -24.176 -29.888 -17.817 711 1HG GLU 91 2HG GLU 91 -23.331 -28.621 -19.616 712 2HG GLU 91 1HG GLU 91 -25.088 -28.575 -19.741 713 H HIS 92 H HIS 92 -24.752 -29.825 -15.142 714 HA HIS 92 HA HIS 92 -25.274 -31.576 -13.819 715 1HB HIS 92 2HB HIS 92 -27.544 -30.486 -13.788 716 2HB HIS 92 1HB HIS 92 -28.015 -31.576 -15.086 717 HD1 HIS 92 1HD HIS 92 -27.009 -31.579 -11.457 718 HD2 HIS 92 2HD HIS 92 -28.716 -34.120 -14.275 719 HE1 HIS 92 1HE HIS 92 -27.798 -33.590 -10.168 720 HE2 HIS 92 2HE HIS 92 -28.598 -35.207 -11.928 721 H HIS 93 H HIS 93 -24.632 -33.605 -13.998 722 HA HIS 93 HA HIS 93 -24.225 -34.789 -16.533 723 1HB HIS 93 2HB HIS 93 -23.295 -36.656 -15.389 724 2HB HIS 93 1HB HIS 93 -22.877 -35.247 -14.427 725 HD1 HIS 93 1HD HIS 93 -24.328 -34.932 -12.173 726 HD2 HIS 93 2HD HIS 93 -24.629 -38.624 -14.061 727 HE1 HIS 93 1HE HIS 93 -25.326 -36.488 -10.469 728 HE2 HIS 93 2HE HIS 93 -25.272 -38.762 -11.561 729 H HIS 94 H HIS 94 -25.445 -36.119 -17.737 730 HA HIS 94 HA HIS 94 -27.923 -37.147 -16.526 731 1HB HIS 94 2HB HIS 94 -29.147 -36.730 -18.547 732 2HB HIS 94 1HB HIS 94 -28.347 -35.235 -18.089 733 HD1 HIS 94 1HD HIS 94 -28.986 -37.297 -20.921 734 HD2 HIS 94 2HD HIS 94 -25.795 -34.926 -19.685 735 HE1 HIS 94 1HE HIS 94 -27.627 -36.845 -22.993 736 HE2 HIS 94 2HE HIS 94 -25.637 -35.513 -22.203 737 H HIS 95 H HIS 95 -28.715 -39.139 -17.405 738 HA HIS 95 HA HIS 95 -26.563 -40.736 -18.622 739 1HB HIS 95 2HB HIS 95 -26.990 -41.465 -16.352 740 2HB HIS 95 1HB HIS 95 -28.718 -41.564 -16.667 741 HD1 HIS 95 1HD HIS 95 -25.479 -43.270 -17.681 742 HD2 HIS 95 2HD HIS 95 -29.575 -43.978 -17.606 743 HE1 HIS 95 1HE HIS 95 -25.768 -45.670 -18.358 744 HE2 HIS 95 2HE HIS 95 -28.258 -45.970 -18.591 745 H HIS 96 H HIS 96 -26.995 -41.940 -20.400 746 HA HIS 96 HA HIS 96 -29.764 -41.842 -21.417 747 1HB HIS 96 2HB HIS 96 -27.846 -40.708 -22.729 748 2HB HIS 96 1HB HIS 96 -27.321 -42.343 -23.114 749 HD1 HIS 96 1HD HIS 96 -27.966 -42.744 -25.472 750 HD2 HIS 96 2HD HIS 96 -30.964 -40.788 -23.342 751 HE1 HIS 96 1HE HIS 96 -29.905 -42.517 -27.070 752 HE2 HIS 96 2HE HIS 96 -31.755 -41.460 -25.716 753 H HIS 97 H HIS 97 -30.736 -43.736 -22.051 754 HA HIS 97 HA HIS 97 -31.218 -45.956 -22.081 755 1HB HIS 97 2HB HIS 97 -28.219 -46.189 -22.224 756 2HB HIS 97 1HB HIS 97 -29.226 -47.618 -22.023 757 HD1 HIS 97 1HD HIS 97 -30.292 -48.576 -24.073 758 HD2 HIS 97 2HD HIS 97 -28.662 -44.800 -24.726 759 HE1 HIS 97 1HE HIS 97 -30.433 -48.195 -26.554 760 HE2 HIS 97 2HE HIS 97 -29.374 -45.939 -26.944 Start of MODEL 18 1 1H MET 1 1HT MET 1 1.030 19.896 0.009 2 2H MET 1 2HT MET 1 2.279 20.919 -0.517 3 3H MET 1 3HT MET 1 2.134 20.532 1.126 4 HA MET 1 HA MET 1 3.932 19.326 -0.010 5 1HB MET 1 2HB MET 1 1.640 17.686 1.090 6 2HB MET 1 1HB MET 1 3.267 17.072 0.831 7 1HG MET 1 2HG MET 1 4.132 18.712 2.431 8 2HG MET 1 1HG MET 1 2.491 19.300 2.701 9 1HE MET 1 1HE MET 1 0.824 16.584 2.614 10 2HE MET 1 2HE MET 1 0.563 17.844 3.821 11 3HE MET 1 3HE MET 1 0.777 16.167 4.328 12 HA PRO 2 HA PRO 2 2.340 18.005 -4.046 13 1HB PRO 2 2HB PRO 2 4.480 18.681 -5.486 14 2HB PRO 2 1HB PRO 2 3.358 19.913 -4.893 15 1HG PRO 2 2HG PRO 2 6.036 19.122 -3.829 16 2HG PRO 2 1HG PRO 2 5.326 20.738 -3.984 17 1HD PRO 2 2HD PRO 2 5.386 19.227 -1.653 18 2HD PRO 2 1HD PRO 2 4.281 20.579 -1.963 19 H THR 3 H THR 3 4.890 17.006 -2.070 20 HA THR 3 HA THR 3 5.718 14.851 -3.844 21 HB THR 3 HB THR 3 7.320 14.521 -1.727 22 HG1 THR 3 1HG THR 3 7.844 16.831 -1.112 23 1HG2 THR 3 1HG2 THR 3 8.975 15.921 -2.881 24 2HG2 THR 3 2HG2 THR 3 7.686 16.652 -3.838 25 3HG2 THR 3 3HG2 THR 3 8.057 14.939 -4.021 26 H LYS 4 H LYS 4 5.226 12.813 -3.508 27 HA LYS 4 HA LYS 4 4.122 11.979 -0.939 28 1HB LYS 4 2HB LYS 4 2.189 12.337 -2.377 29 2HB LYS 4 1HB LYS 4 2.922 11.367 -3.649 30 1HG LYS 4 2HG LYS 4 2.834 9.401 -2.165 31 2HG LYS 4 1HG LYS 4 2.033 10.388 -0.940 32 1HD LYS 4 2HD LYS 4 0.194 10.810 -2.482 33 2HD LYS 4 1HD LYS 4 0.993 9.835 -3.714 34 1HE LYS 4 2HE LYS 4 -0.737 8.539 -2.604 35 2HE LYS 4 1HE LYS 4 0.856 7.879 -2.236 36 1HZ LYS 4 1HZ LYS 4 -0.721 9.666 -0.456 37 2HZ LYS 4 2HZ LYS 4 0.800 8.998 -0.100 38 3HZ LYS 4 3HZ LYS 4 -0.550 7.987 -0.268 39 H THR 5 H THR 5 5.268 10.380 -0.240 40 HA THR 5 HA THR 5 6.679 8.653 -2.168 41 HB THR 5 HB THR 5 7.547 8.895 0.684 42 HG1 THR 5 1HG THR 5 8.060 10.741 -1.435 43 1HG2 THR 5 1HG2 THR 5 9.031 8.419 -1.900 44 2HG2 THR 5 2HG2 THR 5 8.565 7.182 -0.737 45 3HG2 THR 5 3HG2 THR 5 9.746 8.410 -0.285 46 H TYR 6 H TYR 6 6.874 6.419 -1.604 47 HA TYR 6 HA TYR 6 4.742 5.507 0.201 48 1HB TYR 6 2HB TYR 6 5.127 4.929 -2.535 49 2HB TYR 6 1HB TYR 6 5.560 3.463 -1.659 50 HD1 TYR 6 1HD TYR 6 3.894 2.327 -0.244 51 HD2 TYR 6 2HD TYR 6 2.849 5.701 -2.615 52 HE1 TYR 6 1HE TYR 6 1.516 1.785 0.047 53 HE2 TYR 6 2HE TYR 6 0.461 5.164 -2.335 54 HH TYR 6 HH TYR 6 -0.633 2.806 -0.054 55 H SER 7 H SER 7 5.385 4.487 1.921 56 HA SER 7 HA SER 7 8.109 4.269 2.552 57 1HB SER 7 2HB SER 7 5.747 2.999 3.956 58 2HB SER 7 1HB SER 7 7.339 3.302 4.654 59 HG SER 7 HG SER 7 5.483 5.253 3.722 60 H GLU 8 H GLU 8 9.309 2.418 3.187 61 HA GLU 8 HA GLU 8 9.517 0.359 1.345 62 1HB GLU 8 2HB GLU 8 10.386 0.534 4.233 63 2HB GLU 8 1HB GLU 8 10.834 -0.800 3.181 64 1HG GLU 8 2HG GLU 8 11.461 2.066 2.554 65 2HG GLU 8 1HG GLU 8 12.543 1.011 3.464 66 H GLU 9 H GLU 9 7.697 0.585 4.303 67 HA GLU 9 HA GLU 9 7.212 -2.048 4.916 68 1HB GLU 9 2HB GLU 9 6.697 0.057 6.216 69 2HB GLU 9 1HB GLU 9 5.243 0.211 5.246 70 1HG GLU 9 2HG GLU 9 4.305 -1.740 6.166 71 2HG GLU 9 1HG GLU 9 5.841 -2.226 6.889 72 H PHE 10 H PHE 10 5.044 0.051 2.945 73 HA PHE 10 HA PHE 10 3.212 -2.031 2.414 74 1HB PHE 10 2HB PHE 10 2.635 0.357 2.159 75 2HB PHE 10 1HB PHE 10 3.709 0.456 0.767 76 HD1 PHE 10 1HD PHE 10 3.048 -0.403 -1.369 77 HD2 PHE 10 2HD PHE 10 0.551 -0.924 2.035 78 HE1 PHE 10 1HE PHE 10 1.196 -1.089 -2.838 79 HE2 PHE 10 2HE PHE 10 -1.305 -1.616 0.574 80 HZ PHE 10 HZ PHE 10 -0.983 -1.699 -1.866 81 H LYS 11 H LYS 11 5.931 -0.762 0.544 82 HA LYS 11 HA LYS 11 5.622 -2.333 -1.739 83 1HB LYS 11 2HB LYS 11 8.209 -1.350 -0.514 84 2HB LYS 11 1HB LYS 11 7.964 -1.830 -2.189 85 1HG LYS 11 2HG LYS 11 6.340 0.011 -2.447 86 2HG LYS 11 1HG LYS 11 6.698 0.522 -0.798 87 1HD LYS 11 2HD LYS 11 8.717 0.343 -3.033 88 2HD LYS 11 1HD LYS 11 7.928 1.829 -2.499 89 1HE LYS 11 2HE LYS 11 8.883 1.533 -0.282 90 2HE LYS 11 1HE LYS 11 9.663 0.049 -0.806 91 1HZ LYS 11 1HZ LYS 11 10.218 2.784 -1.825 92 2HZ LYS 11 2HZ LYS 11 10.929 1.367 -2.422 93 3HZ LYS 11 3HZ LYS 11 11.227 1.854 -0.822 94 H ARG 12 H ARG 12 7.205 -2.990 1.327 95 HA ARG 12 HA ARG 12 8.221 -5.553 0.551 96 1HB ARG 12 2HB ARG 12 7.866 -4.215 3.232 97 2HB ARG 12 1HB ARG 12 8.611 -5.791 3.039 98 1HG ARG 12 2HG ARG 12 10.346 -4.821 1.640 99 2HG ARG 12 1HG ARG 12 9.585 -3.237 1.777 100 1HD ARG 12 2HD ARG 12 9.882 -3.491 4.292 101 2HD ARG 12 1HD ARG 12 10.942 -4.851 3.922 102 HE ARG 12 HE ARG 12 11.680 -2.512 2.466 103 1HH1 ARG 12 1HH1 ARG 12 11.950 -4.090 5.582 104 2HH1 ARG 12 2HH1 ARG 12 13.349 -3.176 6.059 105 1HH2 ARG 12 1HH2 ARG 12 13.508 -1.318 3.073 106 2HH2 ARG 12 2HH2 ARG 12 14.250 -1.602 4.622 107 H ASP 13 H ASP 13 5.368 -4.392 2.264 108 HA ASP 13 HA ASP 13 4.293 -6.884 3.010 109 1HB ASP 13 2HB ASP 13 3.530 -4.706 3.905 110 2HB ASP 13 1HB ASP 13 2.849 -4.307 2.333 111 H ALA 14 H ALA 14 4.039 -4.970 0.065 112 HA ALA 14 HA ALA 14 2.176 -6.556 -1.315 113 1HB ALA 14 1HB ALA 14 4.451 -4.931 -2.463 114 2HB ALA 14 2HB ALA 14 2.859 -4.304 -2.038 115 3HB ALA 14 3HB ALA 14 3.025 -5.487 -3.334 116 H VAL 15 H VAL 15 5.687 -6.817 -0.985 117 HA VAL 15 HA VAL 15 5.995 -8.995 -2.778 118 HB VAL 15 HB VAL 15 7.745 -8.257 -0.418 119 1HG1 VAL 15 1HG1 VAL 15 9.503 -9.494 -1.585 120 2HG1 VAL 15 2HG1 VAL 15 8.351 -9.952 -2.841 121 3HG1 VAL 15 3HG1 VAL 15 8.136 -10.538 -1.192 122 1HG2 VAL 15 1HG2 VAL 15 7.929 -7.451 -3.315 123 2HG2 VAL 15 2HG2 VAL 15 9.134 -7.101 -2.074 124 3HG2 VAL 15 3HG2 VAL 15 7.518 -6.404 -1.956 125 H ALA 16 H ALA 16 5.237 -8.722 0.651 126 HA ALA 16 HA ALA 16 5.324 -11.497 1.249 127 1HB ALA 16 1HB ALA 16 5.341 -9.790 3.017 128 2HB ALA 16 2HB ALA 16 4.017 -10.936 3.230 129 3HB ALA 16 3HB ALA 16 3.693 -9.330 2.582 130 H LEU 17 H LEU 17 2.764 -9.341 0.104 131 HA LEU 17 HA LEU 17 0.619 -11.117 0.061 132 1HB LEU 17 2HB LEU 17 1.356 -8.817 -1.747 133 2HB LEU 17 1HB LEU 17 -0.143 -9.703 -1.928 134 HG LEU 17 HG LEU 17 0.649 -8.265 0.605 135 1HD1 LEU 17 1HD1 LEU 17 0.382 -6.676 -1.232 136 2HD1 LEU 17 2HD1 LEU 17 -0.943 -6.543 -0.076 137 3HD1 LEU 17 3HD1 LEU 17 -1.192 -7.374 -1.611 138 1HD2 LEU 17 1HD2 LEU 17 -1.997 -9.374 -0.334 139 2HD2 LEU 17 2HD2 LEU 17 -1.699 -8.540 1.191 140 3HD2 LEU 17 3HD2 LEU 17 -0.955 -10.110 0.886 141 H TYR 18 H TYR 18 3.277 -10.703 -2.209 142 HA TYR 18 HA TYR 18 2.326 -12.399 -4.245 143 1HB TYR 18 2HB TYR 18 4.144 -10.906 -4.708 144 2HB TYR 18 1HB TYR 18 5.125 -11.615 -3.429 145 HD1 TYR 18 1HD TYR 18 6.700 -13.223 -3.984 146 HD2 TYR 18 2HD TYR 18 3.450 -12.535 -6.642 147 HE1 TYR 18 1HE TYR 18 7.716 -14.762 -5.614 148 HE2 TYR 18 2HE TYR 18 4.452 -14.072 -8.277 149 HH TYR 18 HH TYR 18 7.012 -16.170 -7.520 150 H GLU 19 H GLU 19 4.301 -13.058 -1.380 151 HA GLU 19 HA GLU 19 4.630 -15.833 -1.975 152 1HB GLU 19 2HB GLU 19 5.011 -14.267 0.580 153 2HB GLU 19 1HB GLU 19 5.372 -15.981 0.426 154 1HG GLU 19 2HG GLU 19 6.654 -13.755 -1.145 155 2HG GLU 19 1HG GLU 19 7.382 -14.630 0.202 156 H ASN 20 H ASN 20 2.159 -13.940 -0.539 157 HA ASN 20 HA ASN 20 0.797 -16.299 0.545 158 1HB ASN 20 2HB ASN 20 0.380 -13.334 0.891 159 2HB ASN 20 1HB ASN 20 -0.863 -14.490 1.348 160 1HD2 ASN 20 1HD2 ASN 20 2.306 -13.258 2.048 161 2HD2 ASN 20 2HD2 ASN 20 2.460 -13.989 3.609 162 H SER 21 H SER 21 1.135 -15.696 -2.331 163 HA SER 21 HA SER 21 -1.248 -14.743 -3.472 164 1HB SER 21 2HB SER 21 -0.423 -16.018 -5.515 165 2HB SER 21 1HB SER 21 0.665 -14.801 -4.852 166 HG SER 21 HG SER 21 2.056 -16.295 -4.358 167 H ASP 22 H ASP 22 -0.557 -17.658 -1.909 168 HA ASP 22 HA ASP 22 -2.320 -19.475 -3.028 169 1HB ASP 22 2HB ASP 22 -0.819 -20.096 -1.218 170 2HB ASP 22 1HB ASP 22 -1.657 -19.016 -0.110 171 H GLY 23 H GLY 23 -2.946 -16.661 -1.078 172 1HA GLY 23 2HA GLY 23 -5.769 -17.292 -0.788 173 2HA GLY 23 1HA GLY 23 -4.955 -15.850 -0.193 174 H ALA 24 H ALA 24 -3.735 -15.308 -2.846 175 HA ALA 24 HA ALA 24 -5.980 -14.715 -4.566 176 1HB ALA 24 1HB ALA 24 -4.460 -12.471 -3.232 177 2HB ALA 24 2HB ALA 24 -6.149 -12.894 -2.943 178 3HB ALA 24 3HB ALA 24 -5.650 -12.286 -4.521 179 H SER 25 H SER 25 -5.325 -14.702 -6.608 180 HA SER 25 HA SER 25 -2.705 -15.444 -7.284 181 1HB SER 25 2HB SER 25 -4.836 -14.328 -9.119 182 2HB SER 25 1HB SER 25 -3.465 -15.333 -9.588 183 HG SER 25 HG SER 25 -4.562 -16.778 -7.809 184 H LEU 26 H LEU 26 -1.292 -14.316 -8.840 185 HA LEU 26 HA LEU 26 -0.300 -11.979 -7.725 186 1HB LEU 26 2HB LEU 26 0.869 -13.683 -9.217 187 2HB LEU 26 1HB LEU 26 0.165 -12.838 -10.579 188 HG LEU 26 HG LEU 26 1.942 -11.431 -8.591 189 1HD1 LEU 26 1HD1 LEU 26 3.794 -11.818 -10.134 190 2HD1 LEU 26 2HD1 LEU 26 2.754 -12.833 -11.133 191 3HD1 LEU 26 3HD1 LEU 26 3.169 -13.338 -9.495 192 1HD2 LEU 26 1HD2 LEU 26 0.595 -10.008 -10.058 193 2HD2 LEU 26 2HD2 LEU 26 1.227 -10.858 -11.468 194 3HD2 LEU 26 3HD2 LEU 26 2.309 -9.896 -10.459 195 H GLN 27 H GLN 27 -2.161 -12.345 -10.756 196 HA GLN 27 HA GLN 27 -2.261 -9.608 -11.374 197 1HB GLN 27 2HB GLN 27 -2.831 -11.352 -12.997 198 2HB GLN 27 1HB GLN 27 -4.251 -11.779 -12.057 199 1HG GLN 27 2HG GLN 27 -4.883 -10.447 -13.958 200 2HG GLN 27 1HG GLN 27 -5.188 -9.558 -12.469 201 1HE2 GLN 27 1HE2 GLN 27 -5.136 -7.565 -13.432 202 2HE2 GLN 27 2HE2 GLN 27 -3.690 -6.856 -14.058 203 H GLN 28 H GLN 28 -4.267 -11.600 -9.295 204 HA GLN 28 HA GLN 28 -6.377 -9.735 -8.963 205 1HB GLN 28 2HB GLN 28 -6.441 -12.216 -8.431 206 2HB GLN 28 1HB GLN 28 -5.548 -11.835 -6.964 207 1HG GLN 28 2HG GLN 28 -7.919 -12.026 -6.510 208 2HG GLN 28 1HG GLN 28 -7.362 -10.376 -6.232 209 1HE2 GLN 28 1HE2 GLN 28 -9.417 -9.499 -6.490 210 2HE2 GLN 28 2HE2 GLN 28 -10.197 -9.421 -8.036 211 H ILE 29 H ILE 29 -3.367 -10.355 -7.236 212 HA ILE 29 HA ILE 29 -3.705 -8.545 -5.115 213 HB ILE 29 HB ILE 29 -1.160 -9.318 -6.558 214 1HG1 ILE 29 2HG1 ILE 29 -2.363 -11.222 -5.564 215 2HG1 ILE 29 1HG1 ILE 29 -0.847 -10.915 -4.732 216 1HG2 ILE 29 1HG2 ILE 29 -1.512 -7.999 -3.867 217 2HG2 ILE 29 2HG2 ILE 29 -0.831 -7.256 -5.313 218 3HG2 ILE 29 3HG2 ILE 29 0.016 -8.589 -4.529 219 1HD1 ILE 29 1HD1 ILE 29 -2.058 -9.780 -2.942 220 2HD1 ILE 29 2HD1 ILE 29 -2.606 -11.443 -3.161 221 3HD1 ILE 29 3HD1 ILE 29 -3.577 -10.106 -3.775 222 H ALA 30 H ALA 30 -2.289 -8.115 -8.337 223 HA ALA 30 HA ALA 30 -1.675 -5.381 -8.119 224 1HB ALA 30 1HB ALA 30 -0.776 -6.805 -9.893 225 2HB ALA 30 2HB ALA 30 -1.570 -5.378 -10.560 226 3HB ALA 30 3HB ALA 30 -2.383 -6.944 -10.605 227 H ASN 31 H ASN 31 -4.606 -7.053 -9.164 228 HA ASN 31 HA ASN 31 -6.044 -4.821 -10.053 229 1HB ASN 31 2HB ASN 31 -6.888 -7.510 -8.989 230 2HB ASN 31 1HB ASN 31 -8.052 -6.312 -9.508 231 1HD2 ASN 31 1HD2 ASN 31 -7.571 -8.947 -10.567 232 2HD2 ASN 31 2HD2 ASN 31 -7.168 -8.736 -12.232 233 H ASP 32 H ASP 32 -5.785 -6.316 -6.856 234 HA ASP 32 HA ASP 32 -7.797 -4.675 -5.663 235 1HB ASP 32 2HB ASP 32 -7.128 -6.928 -4.794 236 2HB ASP 32 1HB ASP 32 -5.596 -6.232 -4.284 237 H LEU 33 H LEU 33 -4.257 -4.615 -5.723 238 HA LEU 33 HA LEU 33 -4.035 -2.372 -3.983 239 1HB LEU 33 2HB LEU 33 -2.179 -3.904 -5.730 240 2HB LEU 33 1HB LEU 33 -1.677 -2.312 -5.202 241 HG LEU 33 HG LEU 33 -1.899 -3.005 -2.859 242 1HD1 LEU 33 1HD1 LEU 33 -3.679 -4.654 -3.121 243 2HD1 LEU 33 2HD1 LEU 33 -2.287 -5.335 -2.276 244 3HD1 LEU 33 3HD1 LEU 33 -2.570 -5.724 -3.974 245 1HD2 LEU 33 1HD2 LEU 33 0.247 -3.259 -3.962 246 2HD2 LEU 33 2HD2 LEU 33 -0.213 -4.863 -4.530 247 3HD2 LEU 33 3HD2 LEU 33 -0.012 -4.566 -2.805 248 H GLY 34 H GLY 34 -4.342 -2.761 -7.440 249 1HA GLY 34 2HA GLY 34 -5.200 -1.101 -8.878 250 2HA GLY 34 1HA GLY 34 -4.814 0.114 -7.670 251 H ILE 35 H ILE 35 -2.592 -2.336 -8.801 252 HA ILE 35 HA ILE 35 -1.036 -0.259 -10.183 253 HB ILE 35 HB ILE 35 1.032 -1.358 -9.360 254 1HG1 ILE 35 2HG1 ILE 35 -0.827 -2.807 -7.459 255 2HG1 ILE 35 1HG1 ILE 35 0.009 -3.556 -8.817 256 1HG2 ILE 35 1HG2 ILE 35 -0.788 -0.276 -7.216 257 2HG2 ILE 35 2HG2 ILE 35 0.226 0.672 -8.303 258 3HG2 ILE 35 3HG2 ILE 35 0.970 -0.390 -7.108 259 1HD1 ILE 35 1HD1 ILE 35 1.305 -2.284 -6.417 260 2HD1 ILE 35 2HD1 ILE 35 2.152 -3.026 -7.775 261 3HD1 ILE 35 3HD1 ILE 35 1.137 -4.013 -6.724 262 H ASN 36 H ASN 36 0.755 -1.359 -11.537 263 HA ASN 36 HA ASN 36 -0.455 -3.383 -13.176 264 1HB ASN 36 2HB ASN 36 0.882 -1.448 -14.058 265 2HB ASN 36 1HB ASN 36 2.315 -2.193 -13.358 266 1HD2 ASN 36 1HD2 ASN 36 -0.133 -2.412 -15.784 267 2HD2 ASN 36 2HD2 ASN 36 0.673 -3.577 -16.770 268 H ARG 37 H ARG 37 0.358 -5.472 -13.514 269 HA ARG 37 HA ARG 37 1.339 -6.766 -11.224 270 1HB ARG 37 2HB ARG 37 1.447 -8.754 -12.673 271 2HB ARG 37 1HB ARG 37 -0.085 -7.921 -12.779 272 1HG ARG 37 2HG ARG 37 0.541 -6.958 -14.902 273 2HG ARG 37 1HG ARG 37 2.142 -7.693 -14.788 274 1HD ARG 37 2HD ARG 37 1.216 -9.892 -14.926 275 2HD ARG 37 1HD ARG 37 -0.428 -9.265 -14.791 276 HE ARG 37 HE ARG 37 0.382 -8.037 -17.004 277 1HH1 ARG 37 1HH1 ARG 37 0.754 -11.378 -16.025 278 2HH1 ARG 37 2HH1 ARG 37 0.708 -12.006 -17.643 279 1HH2 ARG 37 1HH2 ARG 37 0.292 -8.852 -19.144 280 2HH2 ARG 37 2HH2 ARG 37 0.442 -10.563 -19.422 281 H VAL 38 H VAL 38 2.899 -5.480 -14.065 282 HA VAL 38 HA VAL 38 5.432 -6.721 -13.561 283 HB VAL 38 HB VAL 38 4.833 -4.258 -15.215 284 1HG1 VAL 38 1HG1 VAL 38 7.188 -4.421 -14.638 285 2HG1 VAL 38 2HG1 VAL 38 6.940 -4.760 -16.351 286 3HG1 VAL 38 3HG1 VAL 38 7.232 -6.084 -15.223 287 1HG2 VAL 38 1HG2 VAL 38 5.050 -7.147 -16.054 288 2HG2 VAL 38 2HG2 VAL 38 4.836 -5.769 -17.135 289 3HG2 VAL 38 3HG2 VAL 38 3.568 -6.195 -15.983 290 H THR 39 H THR 39 3.914 -3.654 -12.700 291 HA THR 39 HA THR 39 6.151 -2.436 -11.504 292 HB THR 39 HB THR 39 3.258 -2.139 -10.655 293 HG1 THR 39 1HG THR 39 4.743 -1.010 -12.807 294 1HG2 THR 39 1HG2 THR 39 3.954 0.126 -9.993 295 2HG2 THR 39 2HG2 THR 39 5.613 -0.254 -10.451 296 3HG2 THR 39 3HG2 THR 39 4.851 -1.110 -9.111 297 H LEU 40 H LEU 40 3.668 -4.619 -10.233 298 HA LEU 40 HA LEU 40 4.609 -4.771 -7.582 299 1HB LEU 40 2HB LEU 40 2.406 -5.598 -8.291 300 2HB LEU 40 1HB LEU 40 3.174 -6.855 -9.240 301 HG LEU 40 HG LEU 40 4.103 -7.818 -7.146 302 1HD1 LEU 40 1HD1 LEU 40 2.327 -5.789 -5.801 303 2HD1 LEU 40 2HD1 LEU 40 4.091 -5.782 -5.793 304 3HD1 LEU 40 3HD1 LEU 40 3.208 -7.089 -5.003 305 1HD2 LEU 40 1HD2 LEU 40 2.062 -8.717 -8.107 306 2HD2 LEU 40 2HD2 LEU 40 1.105 -7.512 -7.244 307 3HD2 LEU 40 3HD2 LEU 40 1.980 -8.752 -6.345 308 H LYS 41 H LYS 41 5.319 -6.662 -10.473 309 HA LYS 41 HA LYS 41 7.051 -8.569 -9.442 310 1HB LYS 41 2HB LYS 41 6.131 -8.365 -11.803 311 2HB LYS 41 1HB LYS 41 7.390 -7.182 -12.103 312 1HG LYS 41 2HG LYS 41 9.067 -8.934 -11.500 313 2HG LYS 41 1HG LYS 41 7.737 -10.094 -11.455 314 1HD LYS 41 2HD LYS 41 7.196 -9.503 -13.800 315 2HD LYS 41 1HD LYS 41 8.604 -8.440 -13.826 316 1HE LYS 41 2HE LYS 41 9.292 -10.461 -14.831 317 2HE LYS 41 1HE LYS 41 9.987 -10.455 -13.212 318 1HZ LYS 41 1HZ LYS 41 9.087 -12.607 -13.671 319 2HZ LYS 41 2HZ LYS 41 7.588 -11.955 -14.112 320 3HZ LYS 41 3HZ LYS 41 8.105 -11.873 -12.498 321 H ASN 42 H ASN 42 7.729 -5.300 -10.594 322 HA ASN 42 HA ASN 42 10.485 -5.240 -10.326 323 1HB ASN 42 2HB ASN 42 8.351 -3.156 -10.211 324 2HB ASN 42 1HB ASN 42 9.979 -2.705 -9.722 325 1HD2 ASN 42 1HD2 ASN 42 10.243 -1.319 -11.423 326 2HD2 ASN 42 2HD2 ASN 42 10.463 -1.857 -13.051 327 H TRP 43 H TRP 43 8.052 -4.365 -7.866 328 HA TRP 43 HA TRP 43 9.889 -3.768 -5.818 329 1HB TRP 43 2HB TRP 43 6.980 -4.503 -5.849 330 2HB TRP 43 1HB TRP 43 7.838 -4.429 -4.315 331 HD1 TRP 43 HD TRP 43 9.533 -1.823 -5.957 332 HE1 TRP 43 1HE TRP 43 8.450 0.486 -5.584 333 HE3 TRP 43 3HE TRP 43 4.915 -3.333 -4.342 334 HZ2 TRP 43 2HZ TRP 43 5.977 1.512 -4.759 335 HZ3 TRP 43 3HZ TRP 43 3.244 -1.615 -3.799 336 HH2 TRP 43 HH TRP 43 3.765 0.760 -4.002 337 H ILE 44 H ILE 44 8.299 -6.774 -6.742 338 HA ILE 44 HA ILE 44 9.097 -8.356 -4.567 339 HB ILE 44 HB ILE 44 8.602 -9.219 -7.426 340 1HG1 ILE 44 2HG1 ILE 44 6.722 -9.259 -5.055 341 2HG1 ILE 44 1HG1 ILE 44 6.729 -7.997 -6.283 342 1HG2 ILE 44 1HG2 ILE 44 9.813 -10.929 -6.203 343 2HG2 ILE 44 2HG2 ILE 44 8.143 -11.437 -6.448 344 3HG2 ILE 44 3HG2 ILE 44 8.656 -10.832 -4.874 345 1HD1 ILE 44 1HD1 ILE 44 6.176 -9.642 -7.986 346 2HD1 ILE 44 2HD1 ILE 44 4.981 -9.631 -6.688 347 3HD1 ILE 44 3HD1 ILE 44 6.187 -10.915 -6.765 348 H ILE 45 H ILE 45 10.639 -7.912 -7.741 349 HA ILE 45 HA ILE 45 12.801 -9.673 -7.169 350 HB ILE 45 HB ILE 45 12.620 -7.507 -9.271 351 1HG1 ILE 45 2HG1 ILE 45 12.021 -10.468 -9.477 352 2HG1 ILE 45 1HG1 ILE 45 10.802 -9.197 -9.394 353 1HG2 ILE 45 1HG2 ILE 45 14.440 -9.910 -9.087 354 2HG2 ILE 45 2HG2 ILE 45 14.918 -8.226 -8.873 355 3HG2 ILE 45 3HG2 ILE 45 14.346 -8.788 -10.443 356 1HD1 ILE 45 1HD1 ILE 45 11.641 -8.279 -11.500 357 2HD1 ILE 45 2HD1 ILE 45 11.119 -9.953 -11.668 358 3HD1 ILE 45 3HD1 ILE 45 12.839 -9.572 -11.582 359 H LYS 46 H LYS 46 12.335 -6.201 -6.862 360 HA LYS 46 HA LYS 46 15.132 -5.659 -6.504 361 1HB LYS 46 2HB LYS 46 13.568 -4.067 -7.572 362 2HB LYS 46 1HB LYS 46 12.750 -3.864 -6.030 363 1HG LYS 46 2HG LYS 46 14.656 -2.820 -5.068 364 2HG LYS 46 1HG LYS 46 15.660 -3.243 -6.459 365 1HD LYS 46 2HD LYS 46 14.216 -1.834 -7.884 366 2HD LYS 46 1HD LYS 46 13.307 -1.357 -6.450 367 1HE LYS 46 2HE LYS 46 15.182 -0.240 -5.525 368 2HE LYS 46 1HE LYS 46 16.274 -0.940 -6.721 369 1HZ LYS 46 1HZ LYS 46 15.186 0.325 -8.440 370 2HZ LYS 46 2HZ LYS 46 15.721 1.375 -7.219 371 3HZ LYS 46 3HZ LYS 46 14.073 0.964 -7.331 372 H TYR 47 H TYR 47 12.282 -5.627 -4.361 373 HA TYR 47 HA TYR 47 14.015 -5.025 -2.104 374 1HB TYR 47 2HB TYR 47 11.013 -5.270 -2.317 375 2HB TYR 47 1HB TYR 47 11.876 -4.870 -0.832 376 HD1 TYR 47 1HD TYR 47 13.237 -2.771 -0.737 377 HD2 TYR 47 2HD TYR 47 10.608 -3.621 -3.972 378 HE1 TYR 47 1HE TYR 47 13.304 -0.407 -1.407 379 HE2 TYR 47 2HE TYR 47 10.666 -1.257 -4.646 380 HH TYR 47 HH TYR 47 12.951 0.929 -3.487 381 H GLY 48 H GLY 48 12.362 -7.740 -3.494 382 1HA GLY 48 2HA GLY 48 12.806 -9.460 -1.222 383 2HA GLY 48 1HA GLY 48 12.346 -9.968 -2.844 384 H SER 49 H SER 49 15.107 -8.358 -1.304 385 HA SER 49 HA SER 49 17.016 -9.303 -3.158 386 1HB SER 49 2HB SER 49 17.493 -8.288 -0.348 387 2HB SER 49 1HB SER 49 18.656 -8.313 -1.674 388 HG SER 49 HG SER 49 16.761 -6.992 -2.710 389 H ASN 50 H ASN 50 15.658 -10.671 -0.295 390 HA ASN 50 HA ASN 50 17.718 -12.519 0.296 391 1HB ASN 50 2HB ASN 50 14.760 -12.713 0.837 392 2HB ASN 50 1HB ASN 50 15.975 -13.770 1.526 393 1HD2 ASN 50 1HD2 ASN 50 17.271 -13.047 3.160 394 2HD2 ASN 50 2HD2 ASN 50 16.985 -11.563 4.003 395 H HIS 51 H HIS 51 18.345 -14.165 -0.824 396 HA HIS 51 HA HIS 51 16.876 -15.111 -3.116 397 1HB HIS 51 2HB HIS 51 19.451 -16.090 -1.859 398 2HB HIS 51 1HB HIS 51 18.765 -16.733 -3.348 399 HD1 HIS 51 1HD HIS 51 19.144 -15.417 -5.485 400 HD2 HIS 51 2HD HIS 51 20.456 -13.431 -2.072 401 HE1 HIS 51 1HE HIS 51 20.460 -13.435 -6.309 402 HE2 HIS 51 2HE HIS 51 21.028 -12.127 -4.227 403 H ASN 52 H ASN 52 17.554 -16.121 0.139 404 HA ASN 52 HA ASN 52 15.669 -18.338 -0.164 405 1HB ASN 52 2HB ASN 52 18.062 -17.933 1.563 406 2HB ASN 52 1HB ASN 52 16.711 -18.829 2.237 407 1HD2 ASN 52 1HD2 ASN 52 17.799 -20.740 2.326 408 2HD2 ASN 52 2HD2 ASN 52 18.225 -21.657 0.914 409 H VAL 53 H VAL 53 13.883 -16.968 -0.031 410 HA VAL 53 HA VAL 53 13.413 -15.126 2.041 411 HB VAL 53 HB VAL 53 11.366 -16.670 0.430 412 1HG1 VAL 53 1HG1 VAL 53 11.115 -14.087 1.962 413 2HG1 VAL 53 2HG1 VAL 53 10.410 -15.638 2.415 414 3HG1 VAL 53 3HG1 VAL 53 9.863 -14.815 0.955 415 1HG2 VAL 53 1HG2 VAL 53 12.589 -13.961 -0.092 416 2HG2 VAL 53 2HG2 VAL 53 11.336 -14.744 -1.057 417 3HG2 VAL 53 3HG2 VAL 53 12.954 -15.440 -0.977 418 H GLN 54 H GLN 54 12.261 -18.462 1.622 419 HA GLN 54 HA GLN 54 11.575 -20.053 3.072 420 1HB GLN 54 2HB GLN 54 13.070 -18.564 5.230 421 2HB GLN 54 1HB GLN 54 12.742 -20.287 5.126 422 1HG GLN 54 2HG GLN 54 14.643 -18.692 3.432 423 2HG GLN 54 1HG GLN 54 15.048 -19.915 4.633 424 1HE2 GLN 54 1HE2 GLN 54 14.862 -22.071 4.112 425 2HE2 GLN 54 2HE2 GLN 54 14.605 -22.619 2.488 426 H GLY 55 H GLY 55 11.239 -19.350 6.039 427 1HA GLY 55 2HA GLY 55 8.470 -18.733 5.836 428 2HA GLY 55 1HA GLY 55 9.371 -18.944 7.325 429 H THR 56 H THR 56 11.285 -16.878 6.690 430 HA THR 56 HA THR 56 11.632 -14.788 7.486 431 HB THR 56 HB THR 56 10.121 -13.058 6.190 432 HG1 THR 56 1HG THR 56 8.908 -15.100 5.399 433 1HG2 THR 56 1HG2 THR 56 12.244 -14.744 4.869 434 2HG2 THR 56 2HG2 THR 56 12.522 -13.337 5.896 435 3HG2 THR 56 3HG2 THR 56 11.719 -13.145 4.339 436 H THR 57 H THR 57 11.018 -14.768 9.612 437 HA THR 57 HA THR 57 8.270 -14.119 10.274 438 HB THR 57 HB THR 57 9.193 -14.183 12.663 439 HG1 THR 57 1HG THR 57 11.228 -14.768 12.954 440 1HG2 THR 57 1HG2 THR 57 9.162 -16.625 12.725 441 2HG2 THR 57 2HG2 THR 57 9.368 -16.681 10.974 442 3HG2 THR 57 3HG2 THR 57 7.892 -16.008 11.668 443 HA PRO 58 HA PRO 58 9.519 -9.795 10.361 444 1HB PRO 58 2HB PRO 58 6.735 -9.112 10.286 445 2HB PRO 58 1HB PRO 58 7.913 -9.002 8.979 446 1HG PRO 58 2HG PRO 58 5.776 -10.743 9.015 447 2HG PRO 58 1HG PRO 58 7.250 -10.982 8.060 448 1HD PRO 58 2HD PRO 58 6.476 -12.186 10.694 449 2HD PRO 58 1HD PRO 58 7.305 -12.935 9.309 450 H SER 59 H SER 59 9.967 -8.764 12.187 451 HA SER 59 HA SER 59 9.002 -9.503 14.698 452 1HB SER 59 2HB SER 59 10.292 -6.875 13.936 453 2HB SER 59 1HB SER 59 10.248 -7.605 15.546 454 HG SER 59 HG SER 59 12.235 -7.953 14.317 455 H ALA 60 H ALA 60 7.684 -7.295 12.395 456 HA ALA 60 HA ALA 60 6.092 -5.843 14.334 457 1HB ALA 60 1HB ALA 60 6.030 -5.727 11.321 458 2HB ALA 60 2HB ALA 60 7.023 -4.707 12.360 459 3HB ALA 60 3HB ALA 60 5.265 -4.586 12.430 460 H ALA 61 H ALA 61 5.805 -8.717 12.518 461 HA ALA 61 HA ALA 61 2.928 -8.499 12.160 462 1HB ALA 61 1HB ALA 61 4.781 -10.737 11.362 463 2HB ALA 61 2HB ALA 61 4.286 -9.397 10.329 464 3HB ALA 61 3HB ALA 61 3.089 -10.562 10.896 465 H VAL 62 H VAL 62 4.555 -9.092 14.804 466 HA VAL 62 HA VAL 62 3.794 -11.626 15.715 467 HB VAL 62 HB VAL 62 4.207 -9.114 17.347 468 1HG1 VAL 62 1HG1 VAL 62 3.026 -10.814 18.625 469 2HG1 VAL 62 2HG1 VAL 62 4.681 -10.637 19.206 470 3HG1 VAL 62 3HG1 VAL 62 4.248 -12.008 18.188 471 1HG2 VAL 62 1HG2 VAL 62 6.477 -9.972 17.693 472 2HG2 VAL 62 2HG2 VAL 62 6.153 -9.660 15.988 473 3HG2 VAL 62 3HG2 VAL 62 6.133 -11.313 16.602 474 H SER 63 H SER 63 2.204 -8.507 16.126 475 HA SER 63 HA SER 63 -0.137 -9.727 17.303 476 1HB SER 63 2HB SER 63 0.414 -6.866 16.476 477 2HB SER 63 1HB SER 63 -0.997 -7.412 17.380 478 HG SER 63 HG SER 63 0.438 -8.128 19.028 479 H GLU 64 H GLU 64 0.905 -8.618 14.187 480 HA GLU 64 HA GLU 64 -1.656 -8.340 12.989 481 1HB GLU 64 2HB GLU 64 0.763 -7.525 12.256 482 2HB GLU 64 1HB GLU 64 0.744 -9.040 11.366 483 1HG GLU 64 2HG GLU 64 -0.010 -7.402 9.872 484 2HG GLU 64 1HG GLU 64 -1.444 -8.296 10.377 485 H ALA 65 H ALA 65 0.377 -10.982 13.700 486 HA ALA 65 HA ALA 65 -0.294 -12.861 11.779 487 1HB ALA 65 1HB ALA 65 0.476 -14.534 13.353 488 2HB ALA 65 2HB ALA 65 0.352 -13.377 14.677 489 3HB ALA 65 3HB ALA 65 1.535 -13.124 13.394 490 H GLU 66 H GLU 66 -2.241 -11.642 14.373 491 HA GLU 66 HA GLU 66 -3.803 -13.924 14.868 492 1HB GLU 66 2HB GLU 66 -3.683 -11.676 16.169 493 2HB GLU 66 1HB GLU 66 -4.944 -11.164 15.061 494 1HG GLU 66 2HG GLU 66 -6.382 -12.946 15.762 495 2HG GLU 66 1HG GLU 66 -5.111 -13.625 16.774 496 H GLN 67 H GLN 67 -4.458 -11.145 12.714 497 HA GLN 67 HA GLN 67 -6.814 -12.340 11.635 498 1HB GLN 67 2HB GLN 67 -6.783 -10.547 10.003 499 2HB GLN 67 1HB GLN 67 -6.449 -9.904 11.604 500 1HG GLN 67 2HG GLN 67 -3.993 -10.052 10.982 501 2HG GLN 67 1HG GLN 67 -4.546 -10.319 9.329 502 1HE2 GLN 67 1HE2 GLN 67 -4.387 -8.084 11.966 503 2HE2 GLN 67 2HE2 GLN 67 -4.745 -6.664 11.053 504 H ILE 68 H ILE 68 -3.431 -12.523 10.945 505 HA ILE 68 HA ILE 68 -3.568 -13.688 8.366 506 HB ILE 68 HB ILE 68 -1.473 -13.965 10.533 507 1HG1 ILE 68 2HG1 ILE 68 -1.748 -11.681 9.733 508 2HG1 ILE 68 1HG1 ILE 68 -0.218 -12.341 9.169 509 1HG2 ILE 68 1HG2 ILE 68 -1.284 -14.738 7.625 510 2HG2 ILE 68 2HG2 ILE 68 -1.348 -15.853 8.990 511 3HG2 ILE 68 3HG2 ILE 68 0.034 -14.774 8.796 512 1HD1 ILE 68 1HD1 ILE 68 -1.278 -11.060 7.427 513 2HD1 ILE 68 2HD1 ILE 68 -2.735 -12.045 7.553 514 3HD1 ILE 68 3HD1 ILE 68 -1.231 -12.765 6.975 515 H ARG 69 H ARG 69 -3.571 -15.023 11.634 516 HA ARG 69 HA ARG 69 -3.689 -17.746 11.050 517 1HB ARG 69 2HB ARG 69 -3.373 -16.992 13.311 518 2HB ARG 69 1HB ARG 69 -4.903 -16.133 13.298 519 1HG ARG 69 2HG ARG 69 -6.070 -18.311 13.126 520 2HG ARG 69 1HG ARG 69 -4.507 -19.118 13.284 521 1HD ARG 69 2HD ARG 69 -4.172 -18.128 15.458 522 2HD ARG 69 1HD ARG 69 -5.651 -17.185 15.293 523 HE ARG 69 HE ARG 69 -6.119 -20.002 15.079 524 1HH1 ARG 69 1HH1 ARG 69 -5.659 -17.381 17.368 525 2HH1 ARG 69 2HH1 ARG 69 -6.521 -18.185 18.645 526 1HH2 ARG 69 1HH2 ARG 69 -7.247 -21.049 16.752 527 2HH2 ARG 69 2HH2 ARG 69 -7.426 -20.253 18.295 528 H GLN 70 H GLN 70 -6.245 -15.323 11.178 529 HA GLN 70 HA GLN 70 -8.392 -17.128 10.731 530 1HB GLN 70 2HB GLN 70 -8.021 -14.390 11.331 531 2HB GLN 70 1HB GLN 70 -8.936 -14.453 9.843 532 1HG GLN 70 2HG GLN 70 -9.703 -15.912 12.359 533 2HG GLN 70 1HG GLN 70 -10.303 -14.318 11.921 534 1HE2 GLN 70 1HE2 GLN 70 -12.423 -14.979 11.847 535 2HE2 GLN 70 2HE2 GLN 70 -13.048 -16.001 10.593 536 H LEU 71 H LEU 71 -6.427 -15.014 8.686 537 HA LEU 71 HA LEU 71 -7.787 -15.389 6.262 538 1HB LEU 71 2HB LEU 71 -6.124 -13.627 6.623 539 2HB LEU 71 1HB LEU 71 -4.857 -14.830 6.747 540 HG LEU 71 HG LEU 71 -5.301 -15.472 4.380 541 1HD1 LEU 71 1HD1 LEU 71 -7.085 -13.042 4.412 542 2HD1 LEU 71 2HD1 LEU 71 -7.614 -14.716 4.234 543 3HD1 LEU 71 3HD1 LEU 71 -6.619 -13.967 2.986 544 1HD2 LEU 71 1HD2 LEU 71 -3.491 -13.956 4.933 545 2HD2 LEU 71 2HD2 LEU 71 -4.600 -12.585 4.889 546 3HD2 LEU 71 3HD2 LEU 71 -4.244 -13.480 3.411 547 H LYS 72 H LYS 72 -5.018 -17.122 7.647 548 HA LYS 72 HA LYS 72 -4.700 -18.938 5.500 549 1HB LYS 72 2HB LYS 72 -2.858 -18.653 6.970 550 2HB LYS 72 1HB LYS 72 -3.838 -19.004 8.388 551 1HG LYS 72 2HG LYS 72 -4.103 -21.333 7.541 552 2HG LYS 72 1HG LYS 72 -2.961 -20.938 6.256 553 1HD LYS 72 2HD LYS 72 -1.197 -20.611 7.795 554 2HD LYS 72 1HD LYS 72 -2.305 -20.597 9.170 555 1HE LYS 72 2HE LYS 72 -1.832 -22.979 7.383 556 2HE LYS 72 1HE LYS 72 -1.030 -22.717 8.932 557 1HZ LYS 72 1HZ LYS 72 -3.035 -24.193 9.000 558 2HZ LYS 72 2HZ LYS 72 -3.983 -22.830 8.647 559 3HZ LYS 72 3HZ LYS 72 -3.071 -22.882 10.076 560 H LYS 73 H LYS 73 -6.711 -18.910 8.325 561 HA LYS 73 HA LYS 73 -8.424 -20.195 9.040 562 1HB LYS 73 2HB LYS 73 -8.027 -21.742 6.472 563 2HB LYS 73 1HB LYS 73 -9.331 -22.023 7.619 564 1HG LYS 73 2HG LYS 73 -8.846 -19.462 6.112 565 2HG LYS 73 1HG LYS 73 -10.057 -20.681 5.711 566 1HD LYS 73 2HD LYS 73 -11.173 -20.298 7.840 567 2HD LYS 73 1HD LYS 73 -9.931 -19.131 8.299 568 1HE LYS 73 2HE LYS 73 -10.573 -17.728 6.386 569 2HE LYS 73 1HE LYS 73 -11.839 -18.884 5.977 570 1HZ LYS 73 1HZ LYS 73 -11.656 -17.329 8.500 571 2HZ LYS 73 2HZ LYS 73 -12.866 -18.458 8.128 572 3HZ LYS 73 3HZ LYS 73 -12.729 -17.029 7.220 573 H GLU 74 H GLU 74 -8.266 -21.509 10.683 574 HA GLU 74 HA GLU 74 -6.048 -23.413 10.792 575 1HB GLU 74 2HB GLU 74 -6.444 -23.438 13.195 576 2HB GLU 74 1HB GLU 74 -6.300 -21.781 12.623 577 1HG GLU 74 2HG GLU 74 -8.803 -21.692 12.558 578 2HG GLU 74 1HG GLU 74 -8.806 -23.249 13.385 579 H ASN 75 H ASN 75 -9.367 -23.328 10.216 580 HA ASN 75 HA ASN 75 -9.935 -25.946 11.341 581 1HB ASN 75 2HB ASN 75 -11.507 -23.854 11.288 582 2HB ASN 75 1HB ASN 75 -11.852 -24.368 9.643 583 1HD2 ASN 75 1HD2 ASN 75 -13.612 -24.206 11.951 584 2HD2 ASN 75 2HD2 ASN 75 -14.262 -25.792 12.173 585 H ALA 76 H ALA 76 -11.322 -27.383 9.771 586 HA ALA 76 HA ALA 76 -9.425 -28.285 7.873 587 1HB ALA 76 1HB ALA 76 -12.209 -29.308 8.348 588 2HB ALA 76 2HB ALA 76 -10.787 -29.775 9.278 589 3HB ALA 76 3HB ALA 76 -10.882 -30.165 7.560 590 H LEU 77 H LEU 77 -11.926 -26.040 7.551 591 HA LEU 77 HA LEU 77 -13.142 -26.734 5.152 592 1HB LEU 77 2HB LEU 77 -14.027 -24.565 5.089 593 2HB LEU 77 1HB LEU 77 -13.870 -24.960 6.782 594 HG LEU 77 HG LEU 77 -11.814 -23.308 5.331 595 1HD1 LEU 77 1HD1 LEU 77 -12.935 -21.328 6.243 596 2HD1 LEU 77 2HD1 LEU 77 -14.249 -22.345 6.836 597 3HD1 LEU 77 3HD1 LEU 77 -13.966 -22.189 5.101 598 1HD2 LEU 77 1HD2 LEU 77 -11.241 -22.547 7.562 599 2HD2 LEU 77 2HD2 LEU 77 -11.147 -24.306 7.472 600 3HD2 LEU 77 3HD2 LEU 77 -12.529 -23.535 8.251 601 H GLN 78 H GLN 78 -10.016 -25.348 5.703 602 HA GLN 78 HA GLN 78 -9.549 -24.013 3.302 603 1HB GLN 78 2HB GLN 78 -8.060 -23.935 5.269 604 2HB GLN 78 1HB GLN 78 -7.582 -25.599 4.965 605 1HG GLN 78 2HG GLN 78 -6.796 -24.786 2.688 606 2HG GLN 78 1HG GLN 78 -6.977 -23.157 3.338 607 1HE2 GLN 78 1HE2 GLN 78 -5.614 -22.476 5.014 608 2HE2 GLN 78 2HE2 GLN 78 -4.128 -23.295 5.342 609 H ARG 79 H ARG 79 -9.691 -27.405 3.981 610 HA ARG 79 HA ARG 79 -8.068 -28.299 1.815 611 1HB ARG 79 2HB ARG 79 -10.135 -29.777 3.441 612 2HB ARG 79 1HB ARG 79 -8.968 -30.517 2.356 613 1HG ARG 79 2HG ARG 79 -7.138 -29.756 3.735 614 2HG ARG 79 1HG ARG 79 -8.260 -28.896 4.793 615 1HD ARG 79 2HD ARG 79 -8.071 -31.870 4.359 616 2HD ARG 79 1HD ARG 79 -7.656 -30.978 5.823 617 HE ARG 79 HE ARG 79 -10.255 -30.346 5.459 618 1HH1 ARG 79 1HH1 ARG 79 -8.529 -33.389 5.558 619 2HH1 ARG 79 2HH1 ARG 79 -9.889 -34.298 6.152 620 1HH2 ARG 79 1HH2 ARG 79 -12.054 -31.529 6.254 621 2HH2 ARG 79 2HH2 ARG 79 -11.889 -33.236 6.562 622 H ALA 80 H ALA 80 -11.244 -27.154 1.967 623 HA ALA 80 HA ALA 80 -12.493 -28.679 -0.043 624 1HB ALA 80 1HB ALA 80 -13.731 -27.230 1.493 625 2HB ALA 80 2HB ALA 80 -14.120 -26.883 -0.191 626 3HB ALA 80 3HB ALA 80 -13.043 -25.810 0.705 627 H ARG 81 H ARG 81 -10.071 -26.286 -0.223 628 HA ARG 81 HA ARG 81 -10.620 -25.314 -2.849 629 1HB ARG 81 2HB ARG 81 -8.055 -25.268 -1.268 630 2HB ARG 81 1HB ARG 81 -8.381 -24.333 -2.714 631 1HG ARG 81 2HG ARG 81 -10.157 -23.133 -1.532 632 2HG ARG 81 1HG ARG 81 -9.813 -24.075 -0.078 633 1HD ARG 81 2HD ARG 81 -8.028 -22.093 -1.469 634 2HD ARG 81 1HD ARG 81 -8.691 -21.996 0.161 635 HE ARG 81 HE ARG 81 -7.178 -24.303 0.102 636 1HH1 ARG 81 1HH1 ARG 81 -6.617 -20.879 -0.377 637 2HH1 ARG 81 2HH1 ARG 81 -4.949 -20.962 0.133 638 1HH2 ARG 81 1HH2 ARG 81 -4.981 -24.399 0.756 639 2HH2 ARG 81 2HH2 ARG 81 -4.038 -22.939 0.778 640 H THR 82 H THR 82 -8.952 -27.998 -1.546 641 HA THR 82 HA THR 82 -7.277 -28.722 -3.652 642 HB THR 82 HB THR 82 -8.714 -30.566 -1.732 643 HG1 THR 82 1HG THR 82 -6.120 -30.139 -1.160 644 1HG2 THR 82 1HG2 THR 82 -6.179 -30.972 -3.330 645 2HG2 THR 82 2HG2 THR 82 -7.733 -31.735 -3.663 646 3HG2 THR 82 3HG2 THR 82 -6.868 -32.110 -2.174 647 H ARG 83 H ARG 83 -10.125 -30.611 -2.904 648 HA ARG 83 HA ARG 83 -10.646 -31.630 -5.410 649 1HB ARG 83 2HB ARG 83 -11.763 -32.522 -3.495 650 2HB ARG 83 1HB ARG 83 -12.488 -30.969 -3.125 651 1HG ARG 83 2HG ARG 83 -13.907 -31.123 -5.076 652 2HG ARG 83 1HG ARG 83 -13.144 -32.649 -5.533 653 1HD ARG 83 2HD ARG 83 -14.092 -33.800 -3.748 654 2HD ARG 83 1HD ARG 83 -14.398 -32.323 -2.834 655 HE ARG 83 HE ARG 83 -16.007 -31.969 -4.932 656 1HH1 ARG 83 1HH1 ARG 83 -15.494 -34.793 -2.914 657 2HH1 ARG 83 2HH1 ARG 83 -17.137 -35.342 -3.044 658 1HH2 ARG 83 1HH2 ARG 83 -18.184 -32.674 -5.065 659 2HH2 ARG 83 2HH2 ARG 83 -18.662 -34.138 -4.260 660 H HIS 84 H HIS 84 -11.423 -30.844 -7.241 661 HA HIS 84 HA HIS 84 -12.563 -28.127 -7.253 662 1HB HIS 84 2HB HIS 84 -10.527 -29.422 -9.007 663 2HB HIS 84 1HB HIS 84 -11.633 -28.271 -9.743 664 HD1 HIS 84 1HD HIS 84 -8.953 -28.461 -7.077 665 HD2 HIS 84 2HD HIS 84 -11.059 -25.632 -9.278 666 HE1 HIS 84 1HE HIS 84 -7.796 -26.270 -6.651 667 HE2 HIS 84 2HE HIS 84 -8.994 -24.597 -8.109 668 HA PRO 85 HA PRO 85 -16.024 -29.790 -9.525 669 1HB PRO 85 2HB PRO 85 -16.234 -27.327 -11.074 670 2HB PRO 85 1HB PRO 85 -17.304 -27.940 -9.812 671 1HG PRO 85 2HG PRO 85 -15.748 -25.757 -9.461 672 2HG PRO 85 1HG PRO 85 -16.165 -26.857 -8.135 673 1HD PRO 85 2HD PRO 85 -13.640 -26.710 -9.748 674 2HD PRO 85 1HD PRO 85 -13.847 -26.912 -7.993 675 H ALA 86 H ALA 86 -16.847 -29.128 -12.087 676 HA ALA 86 HA ALA 86 -15.161 -30.805 -13.653 677 1HB ALA 86 1HB ALA 86 -17.505 -29.102 -14.485 678 2HB ALA 86 2HB ALA 86 -17.579 -30.776 -13.939 679 3HB ALA 86 3HB ALA 86 -16.765 -30.379 -15.453 680 H GLU 87 H GLU 87 -14.684 -30.056 -16.015 681 HA GLU 87 HA GLU 87 -12.596 -28.133 -15.715 682 1HB GLU 87 2HB GLU 87 -12.073 -28.608 -18.068 683 2HB GLU 87 1HB GLU 87 -12.259 -30.082 -17.133 684 1HG GLU 87 2HG GLU 87 -14.481 -28.946 -18.803 685 2HG GLU 87 1HG GLU 87 -13.266 -30.041 -19.459 686 H SER 88 H SER 88 -15.850 -28.002 -16.878 687 HA SER 88 HA SER 88 -15.657 -25.693 -18.478 688 1HB SER 88 2HB SER 88 -18.034 -26.632 -16.855 689 2HB SER 88 1HB SER 88 -18.075 -25.535 -18.235 690 HG SER 88 HG SER 88 -17.789 -27.161 -19.581 691 H CYS 89 H CYS 89 -15.721 -26.143 -15.027 692 HA CYS 89 HA CYS 89 -16.548 -23.533 -14.307 693 1HB CYS 89 2HB CYS 89 -16.616 -25.414 -12.733 694 2HB CYS 89 1HB CYS 89 -14.863 -25.523 -12.776 695 HG CYS 89 HG CYS 89 -16.301 -22.611 -11.764 696 H LEU 90 H LEU 90 -13.500 -24.951 -15.154 697 HA LEU 90 HA LEU 90 -11.888 -22.754 -14.237 698 1HB LEU 90 2HB LEU 90 -11.023 -24.835 -16.224 699 2HB LEU 90 1HB LEU 90 -10.041 -23.960 -15.062 700 HG LEU 90 HG LEU 90 -12.087 -26.062 -14.368 701 1HD1 LEU 90 1HD1 LEU 90 -10.172 -27.017 -15.525 702 2HD1 LEU 90 2HD1 LEU 90 -10.150 -27.458 -13.819 703 3HD1 LEU 90 3HD1 LEU 90 -9.074 -26.196 -14.417 704 1HD2 LEU 90 1HD2 LEU 90 -11.132 -25.942 -12.122 705 2HD2 LEU 90 2HD2 LEU 90 -11.791 -24.380 -12.611 706 3HD2 LEU 90 3HD2 LEU 90 -10.048 -24.652 -12.642 707 H GLU 91 H GLU 91 -13.622 -23.575 -17.060 708 HA GLU 91 HA GLU 91 -12.189 -22.116 -19.007 709 1HB GLU 91 2HB GLU 91 -13.824 -23.802 -19.624 710 2HB GLU 91 1HB GLU 91 -15.113 -22.867 -18.878 711 1HG GLU 91 2HG GLU 91 -14.577 -21.039 -20.527 712 2HG GLU 91 1HG GLU 91 -13.539 -22.204 -21.346 713 H HIS 92 H HIS 92 -14.559 -21.158 -16.632 714 HA HIS 92 HA HIS 92 -15.469 -18.832 -17.956 715 1HB HIS 92 2HB HIS 92 -15.610 -19.640 -15.051 716 2HB HIS 92 1HB HIS 92 -16.359 -18.178 -15.686 717 HD1 HIS 92 1HD HIS 92 -18.367 -18.517 -17.365 718 HD2 HIS 92 2HD HIS 92 -16.962 -21.983 -15.556 719 HE1 HIS 92 1HE HIS 92 -20.118 -20.261 -17.795 720 HE2 HIS 92 2HE HIS 92 -19.067 -22.400 -16.992 721 H HIS 93 H HIS 93 -14.201 -17.280 -18.518 722 HA HIS 93 HA HIS 93 -12.288 -16.206 -16.562 723 1HB HIS 93 2HB HIS 93 -10.922 -15.421 -18.470 724 2HB HIS 93 1HB HIS 93 -11.073 -17.168 -18.436 725 HD1 HIS 93 1HD HIS 93 -10.602 -14.977 -20.909 726 HD2 HIS 93 2HD HIS 93 -13.830 -17.494 -20.174 727 HE1 HIS 93 1HE HIS 93 -11.737 -15.295 -23.130 728 HE2 HIS 93 2HE HIS 93 -13.538 -17.008 -22.697 729 H HIS 94 H HIS 94 -12.392 -14.088 -16.082 730 HA HIS 94 HA HIS 94 -14.818 -12.751 -16.657 731 1HB HIS 94 2HB HIS 94 -12.305 -11.947 -15.227 732 2HB HIS 94 1HB HIS 94 -13.579 -10.771 -15.535 733 HD1 HIS 94 1HD HIS 94 -12.483 -12.900 -12.949 734 HD2 HIS 94 2HD HIS 94 -16.214 -11.996 -14.555 735 HE1 HIS 94 1HE HIS 94 -14.154 -13.517 -11.176 736 HE2 HIS 94 2HE HIS 94 -16.413 -13.087 -12.217 737 H HIS 95 H HIS 95 -15.372 -11.292 -18.109 738 HA HIS 95 HA HIS 95 -13.442 -10.544 -20.165 739 1HB HIS 95 2HB HIS 95 -15.646 -11.392 -20.863 740 2HB HIS 95 1HB HIS 95 -16.438 -10.114 -19.952 741 HD1 HIS 95 1HD HIS 95 -16.971 -8.032 -21.197 742 HD2 HIS 95 2HD HIS 95 -14.102 -10.338 -23.143 743 HE1 HIS 95 1HE HIS 95 -16.617 -6.935 -23.429 744 HE2 HIS 95 2HE HIS 95 -14.729 -8.219 -24.493 745 H HIS 96 H HIS 96 -14.279 -9.449 -17.233 746 HA HIS 96 HA HIS 96 -14.392 -7.487 -16.109 747 1HB HIS 96 2HB HIS 96 -12.125 -7.223 -17.266 748 2HB HIS 96 1HB HIS 96 -12.954 -6.219 -18.450 749 HD1 HIS 96 1HD HIS 96 -12.815 -3.805 -17.956 750 HD2 HIS 96 2HD HIS 96 -12.615 -6.110 -14.497 751 HE1 HIS 96 1HE HIS 96 -12.450 -2.177 -16.070 752 HE2 HIS 96 2HE HIS 96 -12.156 -3.609 -14.014 753 H HIS 97 H HIS 97 -16.644 -7.658 -16.490 754 HA HIS 97 HA HIS 97 -18.702 -7.143 -17.243 755 1HB HIS 97 2HB HIS 97 -18.217 -4.786 -16.960 756 2HB HIS 97 1HB HIS 97 -17.324 -4.737 -18.476 757 HD1 HIS 97 1HD HIS 97 -20.873 -5.143 -17.179 758 HD2 HIS 97 2HD HIS 97 -18.849 -4.197 -20.693 759 HE1 HIS 97 1HE HIS 97 -22.647 -4.444 -18.826 760 HE2 HIS 97 2HE HIS 97 -21.407 -3.926 -20.962 Start of MODEL 19 1 1H MET 1 1HT MET 1 -7.884 12.841 -6.624 2 2H MET 1 2HT MET 1 -7.211 13.800 -5.404 3 3H MET 1 3HT MET 1 -8.024 12.362 -5.005 4 HA MET 1 HA MET 1 -5.674 12.009 -4.839 5 1HB MET 1 2HB MET 1 -6.851 10.735 -7.321 6 2HB MET 1 1HB MET 1 -5.428 10.155 -6.468 7 1HG MET 1 2HG MET 1 -6.770 9.662 -4.515 8 2HG MET 1 1HG MET 1 -8.200 10.324 -5.306 9 1HE MET 1 1HE MET 1 -9.042 6.518 -5.244 10 2HE MET 1 2HE MET 1 -9.565 8.145 -4.807 11 3HE MET 1 3HE MET 1 -8.176 7.416 -3.997 12 HA PRO 2 HA PRO 2 -3.582 14.809 -7.756 13 1HB PRO 2 2HB PRO 2 -1.381 14.516 -5.848 14 2HB PRO 2 1HB PRO 2 -2.203 15.985 -6.383 15 1HG PRO 2 2HG PRO 2 -2.503 14.994 -3.896 16 2HG PRO 2 1HG PRO 2 -3.809 15.842 -4.743 17 1HD PRO 2 2HD PRO 2 -3.407 12.902 -4.336 18 2HD PRO 2 1HD PRO 2 -4.904 13.857 -4.268 19 H THR 3 H THR 3 -1.840 12.351 -5.952 20 HA THR 3 HA THR 3 -1.075 11.011 -8.430 21 HB THR 3 HB THR 3 1.228 10.683 -7.197 22 HG1 THR 3 1HG THR 3 0.944 13.326 -6.374 23 1HG2 THR 3 1HG2 THR 3 2.155 12.583 -8.441 24 2HG2 THR 3 2HG2 THR 3 0.530 13.237 -8.650 25 3HG2 THR 3 3HG2 THR 3 0.967 11.704 -9.403 26 H LYS 4 H LYS 4 -0.579 8.764 -8.126 27 HA LYS 4 HA LYS 4 -1.829 7.581 -5.857 28 1HB LYS 4 2HB LYS 4 -2.044 6.638 -8.130 29 2HB LYS 4 1HB LYS 4 -0.310 6.341 -8.152 30 1HG LYS 4 2HG LYS 4 -0.766 5.005 -5.994 31 2HG LYS 4 1HG LYS 4 -2.436 4.995 -6.567 32 1HD LYS 4 2HD LYS 4 -0.034 4.036 -8.099 33 2HD LYS 4 1HD LYS 4 -1.222 3.041 -7.285 34 1HE LYS 4 2HE LYS 4 -2.971 3.874 -8.756 35 2HE LYS 4 1HE LYS 4 -1.799 4.918 -9.561 36 1HZ LYS 4 1HZ LYS 4 -2.112 2.970 -10.872 37 2HZ LYS 4 2HZ LYS 4 -1.846 1.955 -9.546 38 3HZ LYS 4 3HZ LYS 4 -0.569 2.874 -10.179 39 H THR 5 H THR 5 -0.735 7.665 -4.084 40 HA THR 5 HA THR 5 2.188 7.618 -4.123 41 HB THR 5 HB THR 5 0.649 8.073 -1.615 42 HG1 THR 5 1HG THR 5 0.419 9.573 -3.923 43 1HG2 THR 5 1HG2 THR 5 3.095 8.090 -1.574 44 2HG2 THR 5 2HG2 THR 5 2.454 9.694 -1.213 45 3HG2 THR 5 3HG2 THR 5 3.117 9.346 -2.812 46 H TYR 6 H TYR 6 3.362 6.290 -2.746 47 HA TYR 6 HA TYR 6 2.106 4.192 -1.251 48 1HB TYR 6 2HB TYR 6 3.292 2.411 -2.476 49 2HB TYR 6 1HB TYR 6 2.084 3.198 -3.474 50 HD1 TYR 6 1HD TYR 6 5.711 2.886 -2.837 51 HD2 TYR 6 2HD TYR 6 2.709 4.307 -5.496 52 HE1 TYR 6 1HE TYR 6 7.422 3.275 -4.552 53 HE2 TYR 6 2HE TYR 6 4.420 4.696 -7.221 54 HH TYR 6 HH TYR 6 6.789 5.031 -7.434 55 H SER 7 H SER 7 3.801 2.906 -0.099 56 HA SER 7 HA SER 7 6.223 4.532 0.306 57 1HB SER 7 2HB SER 7 4.986 2.698 2.361 58 2HB SER 7 1HB SER 7 6.169 3.980 2.616 59 HG SER 7 HG SER 7 3.402 4.146 2.210 60 H GLU 8 H GLU 8 8.172 3.293 0.953 61 HA GLU 8 HA GLU 8 8.573 0.903 -0.493 62 1HB GLU 8 2HB GLU 8 10.153 1.813 1.919 63 2HB GLU 8 1HB GLU 8 10.697 0.734 0.640 64 1HG GLU 8 2HG GLU 8 10.348 2.662 -0.953 65 2HG GLU 8 1HG GLU 8 10.159 3.680 0.472 66 H GLU 9 H GLU 9 7.444 1.593 2.703 67 HA GLU 9 HA GLU 9 7.373 -0.963 3.827 68 1HB GLU 9 2HB GLU 9 6.856 1.041 5.098 69 2HB GLU 9 1HB GLU 9 5.469 1.370 4.071 70 1HG GLU 9 2HG GLU 9 4.354 -0.613 4.902 71 2HG GLU 9 1HG GLU 9 5.757 -0.996 5.904 72 H PHE 10 H PHE 10 5.050 0.741 1.761 73 HA PHE 10 HA PHE 10 3.135 -1.308 1.574 74 1HB PHE 10 2HB PHE 10 2.746 1.074 0.960 75 2HB PHE 10 1HB PHE 10 3.773 0.848 -0.450 76 HD1 PHE 10 1HD PHE 10 0.634 -0.294 1.141 77 HD2 PHE 10 2HD PHE 10 2.898 0.028 -2.443 78 HE1 PHE 10 1HE PHE 10 -1.332 -0.999 -0.158 79 HE2 PHE 10 2HE PHE 10 0.941 -0.681 -3.753 80 HZ PHE 10 HZ PHE 10 -1.181 -1.194 -2.609 81 H LYS 11 H LYS 11 6.020 -0.552 -0.305 82 HA LYS 11 HA LYS 11 5.768 -2.504 -2.302 83 1HB LYS 11 2HB LYS 11 8.226 -1.332 -0.996 84 2HB LYS 11 1HB LYS 11 8.280 -2.381 -2.403 85 1HG LYS 11 2HG LYS 11 7.046 -0.751 -3.704 86 2HG LYS 11 1HG LYS 11 6.885 0.290 -2.285 87 1HD LYS 11 2HD LYS 11 9.237 0.670 -2.209 88 2HD LYS 11 1HD LYS 11 9.538 -0.575 -3.416 89 1HE LYS 11 2HE LYS 11 8.397 0.760 -5.096 90 2HE LYS 11 1HE LYS 11 8.037 1.993 -3.889 91 1HZ LYS 11 1HZ LYS 11 10.275 2.593 -3.725 92 2HZ LYS 11 2HZ LYS 11 10.042 2.371 -5.387 93 3HZ LYS 11 3HZ LYS 11 10.819 1.177 -4.475 94 H ARG 12 H ARG 12 7.328 -2.635 0.890 95 HA ARG 12 HA ARG 12 8.176 -5.309 0.732 96 1HB ARG 12 2HB ARG 12 9.126 -3.835 2.376 97 2HB ARG 12 1HB ARG 12 7.557 -3.553 3.113 98 1HG ARG 12 2HG ARG 12 8.520 -6.350 3.031 99 2HG ARG 12 1HG ARG 12 9.350 -5.233 4.118 100 1HD ARG 12 2HD ARG 12 7.348 -4.741 5.286 101 2HD ARG 12 1HD ARG 12 6.357 -5.539 4.066 102 HE ARG 12 HE ARG 12 8.060 -7.480 5.070 103 1HH1 ARG 12 1HH1 ARG 12 5.634 -5.326 6.387 104 2HH1 ARG 12 2HH1 ARG 12 5.057 -6.478 7.553 105 1HH2 ARG 12 1HH2 ARG 12 7.332 -8.983 6.625 106 2HH2 ARG 12 2HH2 ARG 12 6.037 -8.558 7.705 107 H ASP 13 H ASP 13 5.165 -3.873 1.917 108 HA ASP 13 HA ASP 13 4.002 -6.223 2.932 109 1HB ASP 13 2HB ASP 13 3.160 -3.852 3.256 110 2HB ASP 13 1HB ASP 13 2.501 -3.940 1.629 111 H ALA 14 H ALA 14 3.978 -4.785 -0.283 112 HA ALA 14 HA ALA 14 2.245 -6.588 -1.542 113 1HB ALA 14 1HB ALA 14 2.920 -4.455 -2.527 114 2HB ALA 14 2HB ALA 14 3.218 -5.798 -3.630 115 3HB ALA 14 3HB ALA 14 4.558 -5.070 -2.745 116 H VAL 15 H VAL 15 5.721 -6.751 -0.928 117 HA VAL 15 HA VAL 15 6.242 -9.062 -2.476 118 HB VAL 15 HB VAL 15 7.668 -8.216 0.059 119 1HG1 VAL 15 1HG1 VAL 15 8.571 -9.943 -2.246 120 2HG1 VAL 15 2HG1 VAL 15 8.203 -10.489 -0.609 121 3HG1 VAL 15 3HG1 VAL 15 9.582 -9.427 -0.896 122 1HG2 VAL 15 1HG2 VAL 15 7.666 -6.364 -1.482 123 2HG2 VAL 15 2HG2 VAL 15 8.174 -7.415 -2.800 124 3HG2 VAL 15 3HG2 VAL 15 9.270 -7.097 -1.458 125 H ALA 16 H ALA 16 5.283 -8.587 0.898 126 HA ALA 16 HA ALA 16 5.314 -11.325 1.626 127 1HB ALA 16 1HB ALA 16 3.998 -10.622 3.568 128 2HB ALA 16 2HB ALA 16 3.744 -9.044 2.823 129 3HB ALA 16 3HB ALA 16 5.369 -9.550 3.288 130 H LEU 17 H LEU 17 2.964 -9.295 0.043 131 HA LEU 17 HA LEU 17 0.722 -10.984 0.304 132 1HB LEU 17 2HB LEU 17 1.475 -8.907 -1.741 133 2HB LEU 17 1HB LEU 17 -0.032 -9.794 -1.828 134 HG LEU 17 HG LEU 17 0.784 -8.070 0.512 135 1HD1 LEU 17 1HD1 LEU 17 -0.844 -6.465 -0.335 136 2HD1 LEU 17 2HD1 LEU 17 -1.124 -7.481 -1.745 137 3HD1 LEU 17 3HD1 LEU 17 0.450 -6.726 -1.505 138 1HD2 LEU 17 1HD2 LEU 17 -1.828 -9.382 -0.228 139 2HD2 LEU 17 2HD2 LEU 17 -1.575 -8.296 1.140 140 3HD2 LEU 17 3HD2 LEU 17 -0.761 -9.860 1.092 141 H TYR 18 H TYR 18 3.433 -10.959 -1.951 142 HA TYR 18 HA TYR 18 2.291 -12.902 -3.708 143 1HB TYR 18 2HB TYR 18 4.094 -11.324 -4.410 144 2HB TYR 18 1HB TYR 18 5.218 -12.207 -3.379 145 HD1 TYR 18 1HD TYR 18 2.822 -12.759 -6.186 146 HD2 TYR 18 2HD TYR 18 6.437 -13.971 -4.296 147 HE1 TYR 18 1HE TYR 18 3.249 -14.331 -8.026 148 HE2 TYR 18 2HE TYR 18 6.876 -15.541 -6.138 149 HH TYR 18 HH TYR 18 5.095 -15.502 -9.070 150 H GLU 19 H GLU 19 4.207 -13.042 -0.779 151 HA GLU 19 HA GLU 19 4.806 -15.821 -0.951 152 1HB GLU 19 2HB GLU 19 4.578 -14.039 1.486 153 2HB GLU 19 1HB GLU 19 5.234 -15.670 1.491 154 1HG GLU 19 2HG GLU 19 6.984 -14.910 -0.095 155 2HG GLU 19 1HG GLU 19 6.364 -13.268 0.077 156 H ASN 20 H ASN 20 2.002 -14.013 -0.215 157 HA ASN 20 HA ASN 20 0.614 -16.413 0.773 158 1HB ASN 20 2HB ASN 20 0.030 -13.472 1.181 159 2HB ASN 20 1HB ASN 20 -1.099 -14.747 1.609 160 1HD2 ASN 20 1HD2 ASN 20 1.880 -13.171 2.404 161 2HD2 ASN 20 2HD2 ASN 20 2.083 -13.908 3.957 162 H SER 21 H SER 21 1.191 -15.963 -1.968 163 HA SER 21 HA SER 21 -1.122 -14.866 -3.273 164 1HB SER 21 2HB SER 21 0.041 -15.703 -5.341 165 2HB SER 21 1HB SER 21 0.991 -14.600 -4.347 166 HG SER 21 HG SER 21 2.389 -16.119 -3.991 167 H ASP 22 H ASP 22 -0.441 -17.774 -1.833 168 HA ASP 22 HA ASP 22 -1.289 -19.779 -3.479 169 1HB ASP 22 2HB ASP 22 -0.402 -20.035 -1.143 170 2HB ASP 22 1HB ASP 22 -2.013 -19.634 -0.555 171 H GLY 23 H GLY 23 -3.357 -17.575 -1.659 172 1HA GLY 23 2HA GLY 23 -5.705 -18.867 -2.888 173 2HA GLY 23 1HA GLY 23 -5.742 -17.894 -1.427 174 H ALA 24 H ALA 24 -3.718 -16.391 -3.579 175 HA ALA 24 HA ALA 24 -5.849 -14.861 -4.863 176 1HB ALA 24 1HB ALA 24 -5.441 -13.755 -2.701 177 2HB ALA 24 2HB ALA 24 -5.001 -12.739 -4.071 178 3HB ALA 24 3HB ALA 24 -3.744 -13.556 -3.146 179 H SER 25 H SER 25 -5.336 -14.820 -6.939 180 HA SER 25 HA SER 25 -2.787 -15.470 -7.944 181 1HB SER 25 2HB SER 25 -5.074 -14.090 -9.366 182 2HB SER 25 1HB SER 25 -3.732 -14.940 -10.136 183 HG SER 25 HG SER 25 -4.679 -16.678 -8.489 184 H LEU 26 H LEU 26 -1.442 -14.116 -9.364 185 HA LEU 26 HA LEU 26 -0.480 -11.870 -8.009 186 1HB LEU 26 2HB LEU 26 0.819 -13.325 -9.554 187 2HB LEU 26 1HB LEU 26 -0.026 -12.595 -10.902 188 HG LEU 26 HG LEU 26 0.936 -10.395 -10.276 189 1HD1 LEU 26 1HD1 LEU 26 2.503 -12.015 -8.272 190 2HD1 LEU 26 2HD1 LEU 26 1.271 -10.808 -7.902 191 3HD1 LEU 26 3HD1 LEU 26 2.778 -10.318 -8.675 192 1HD2 LEU 26 1HD2 LEU 26 2.949 -12.598 -10.716 193 2HD2 LEU 26 2HD2 LEU 26 3.201 -10.882 -11.039 194 3HD2 LEU 26 3HD2 LEU 26 2.006 -11.787 -11.965 195 H GLN 27 H GLN 27 -2.550 -12.137 -10.867 196 HA GLN 27 HA GLN 27 -2.697 -9.386 -11.453 197 1HB GLN 27 2HB GLN 27 -3.467 -11.240 -12.966 198 2HB GLN 27 1HB GLN 27 -4.876 -11.430 -11.931 199 1HG GLN 27 2HG GLN 27 -5.527 -10.116 -13.805 200 2HG GLN 27 1HG GLN 27 -5.454 -9.052 -12.405 201 1HE2 GLN 27 1HE2 GLN 27 -5.206 -7.231 -13.683 202 2HE2 GLN 27 2HE2 GLN 27 -3.731 -6.871 -14.504 203 H GLN 28 H GLN 28 -4.391 -11.383 -9.132 204 HA GLN 28 HA GLN 28 -6.441 -9.498 -8.517 205 1HB GLN 28 2HB GLN 28 -6.535 -11.980 -8.072 206 2HB GLN 28 1HB GLN 28 -5.389 -11.739 -6.766 207 1HG GLN 28 2HG GLN 28 -8.017 -10.299 -6.850 208 2HG GLN 28 1HG GLN 28 -7.864 -11.921 -6.187 209 1HE2 GLN 28 1HE2 GLN 28 -8.629 -9.437 -4.873 210 2HE2 GLN 28 2HE2 GLN 28 -7.508 -9.217 -3.575 211 H ILE 29 H ILE 29 -3.301 -10.306 -7.099 212 HA ILE 29 HA ILE 29 -3.318 -8.556 -4.932 213 HB ILE 29 HB ILE 29 -0.925 -9.259 -6.648 214 1HG1 ILE 29 2HG1 ILE 29 -2.098 -11.274 -5.863 215 2HG1 ILE 29 1HG1 ILE 29 -0.535 -11.095 -5.066 216 1HG2 ILE 29 1HG2 ILE 29 0.374 -8.834 -4.612 217 2HG2 ILE 29 2HG2 ILE 29 -1.100 -8.315 -3.795 218 3HG2 ILE 29 3HG2 ILE 29 -0.483 -7.395 -5.167 219 1HD1 ILE 29 1HD1 ILE 29 -1.668 -10.213 -3.082 220 2HD1 ILE 29 2HD1 ILE 29 -2.251 -11.822 -3.506 221 3HD1 ILE 29 3HD1 ILE 29 -3.225 -10.402 -3.889 222 H ALA 30 H ALA 30 -2.162 -8.003 -8.246 223 HA ALA 30 HA ALA 30 -1.513 -5.280 -7.863 224 1HB ALA 30 1HB ALA 30 -0.586 -6.620 -9.683 225 2HB ALA 30 2HB ALA 30 -1.388 -5.169 -10.294 226 3HB ALA 30 3HB ALA 30 -2.189 -6.735 -10.411 227 H ASN 31 H ASN 31 -4.461 -6.930 -8.710 228 HA ASN 31 HA ASN 31 -5.884 -4.677 -9.709 229 1HB ASN 31 2HB ASN 31 -6.354 -7.268 -9.923 230 2HB ASN 31 1HB ASN 31 -7.273 -7.013 -8.442 231 1HD2 ASN 31 1HD2 ASN 31 -7.144 -6.589 -11.823 232 2HD2 ASN 31 2HD2 ASN 31 -8.701 -5.885 -12.031 233 H ASP 32 H ASP 32 -5.820 -6.357 -6.598 234 HA ASP 32 HA ASP 32 -7.811 -4.782 -5.346 235 1HB ASP 32 2HB ASP 32 -7.099 -7.058 -4.602 236 2HB ASP 32 1HB ASP 32 -5.586 -6.363 -4.037 237 H LEU 33 H LEU 33 -4.286 -4.616 -5.376 238 HA LEU 33 HA LEU 33 -4.140 -2.385 -3.599 239 1HB LEU 33 2HB LEU 33 -2.210 -3.836 -5.356 240 2HB LEU 33 1HB LEU 33 -1.758 -2.266 -4.727 241 HG LEU 33 HG LEU 33 -1.996 -3.086 -2.437 242 1HD1 LEU 33 1HD1 LEU 33 -3.768 -4.711 -2.747 243 2HD1 LEU 33 2HD1 LEU 33 -2.363 -5.463 -1.990 244 3HD1 LEU 33 3HD1 LEU 33 -2.690 -5.729 -3.703 245 1HD2 LEU 33 1HD2 LEU 33 -0.109 -4.638 -2.430 246 2HD2 LEU 33 2HD2 LEU 33 0.156 -3.300 -3.546 247 3HD2 LEU 33 3HD2 LEU 33 -0.304 -4.885 -4.167 248 H GLY 34 H GLY 34 -4.275 -2.792 -7.075 249 1HA GLY 34 2HA GLY 34 -5.101 -1.180 -8.575 250 2HA GLY 34 1HA GLY 34 -4.865 0.049 -7.342 251 H ILE 35 H ILE 35 -2.536 -2.323 -8.536 252 HA ILE 35 HA ILE 35 -0.929 -0.105 -9.616 253 HB ILE 35 HB ILE 35 1.103 -1.320 -8.833 254 1HG1 ILE 35 2HG1 ILE 35 -0.882 -2.897 -7.183 255 2HG1 ILE 35 1HG1 ILE 35 0.060 -3.531 -8.528 256 1HG2 ILE 35 1HG2 ILE 35 0.934 -0.564 -6.495 257 2HG2 ILE 35 2HG2 ILE 35 -0.807 -0.367 -6.708 258 3HG2 ILE 35 3HG2 ILE 35 0.315 0.623 -7.643 259 1HD1 ILE 35 1HD1 ILE 35 1.202 -2.445 -5.966 260 2HD1 ILE 35 2HD1 ILE 35 2.109 -3.159 -7.298 261 3HD1 ILE 35 3HD1 ILE 35 0.995 -4.151 -6.357 262 H ASN 36 H ASN 36 0.887 -0.999 -11.045 263 HA ASN 36 HA ASN 36 -0.252 -2.774 -12.979 264 1HB ASN 36 2HB ASN 36 1.194 -0.824 -13.556 265 2HB ASN 36 1HB ASN 36 2.552 -1.658 -12.820 266 1HD2 ASN 36 1HD2 ASN 36 0.272 -1.671 -15.449 267 2HD2 ASN 36 2HD2 ASN 36 1.166 -2.747 -16.455 268 H ARG 37 H ARG 37 0.399 -4.821 -13.526 269 HA ARG 37 HA ARG 37 1.215 -6.530 -11.450 270 1HB ARG 37 2HB ARG 37 -0.176 -7.301 -13.278 271 2HB ARG 37 1HB ARG 37 1.098 -6.962 -14.437 272 1HG ARG 37 2HG ARG 37 2.484 -8.710 -13.413 273 2HG ARG 37 1HG ARG 37 1.178 -9.063 -12.278 274 1HD ARG 37 2HD ARG 37 -0.284 -9.687 -14.093 275 2HD ARG 37 1HD ARG 37 0.931 -9.214 -15.278 276 HE ARG 37 HE ARG 37 1.614 -11.335 -13.386 277 1HH1 ARG 37 1HH1 ARG 37 0.754 -10.350 -16.626 278 2HH1 ARG 37 2HH1 ARG 37 1.211 -11.859 -17.356 279 1HH2 ARG 37 1HH2 ARG 37 2.215 -13.355 -14.342 280 2HH2 ARG 37 2HH2 ARG 37 2.044 -13.559 -16.061 281 H VAL 38 H VAL 38 2.986 -5.031 -14.101 282 HA VAL 38 HA VAL 38 5.386 -6.547 -13.670 283 HB VAL 38 HB VAL 38 5.018 -3.960 -15.190 284 1HG1 VAL 38 1HG1 VAL 38 7.234 -6.004 -15.301 285 2HG1 VAL 38 2HG1 VAL 38 7.345 -4.390 -14.600 286 3HG1 VAL 38 3HG1 VAL 38 7.085 -4.580 -16.333 287 1HG2 VAL 38 1HG2 VAL 38 4.969 -6.814 -16.168 288 2HG2 VAL 38 2HG2 VAL 38 4.900 -5.374 -17.184 289 3HG2 VAL 38 3HG2 VAL 38 3.586 -5.724 -16.063 290 H THR 39 H THR 39 4.238 -3.303 -12.797 291 HA THR 39 HA THR 39 6.553 -2.405 -11.493 292 HB THR 39 HB THR 39 3.689 -1.783 -10.749 293 HG1 THR 39 1HG THR 39 5.329 -1.019 -12.890 294 1HG2 THR 39 1HG2 THR 39 6.238 -0.211 -10.362 295 2HG2 THR 39 2HG2 THR 39 5.298 -0.996 -9.092 296 3HG2 THR 39 3HG2 THR 39 4.614 0.362 -9.987 297 H LEU 40 H LEU 40 3.777 -4.238 -10.295 298 HA LEU 40 HA LEU 40 4.556 -4.524 -7.626 299 1HB LEU 40 2HB LEU 40 2.344 -5.123 -8.384 300 2HB LEU 40 1HB LEU 40 2.991 -6.354 -9.449 301 HG LEU 40 HG LEU 40 3.731 -7.643 -7.470 302 1HD1 LEU 40 1HD1 LEU 40 4.001 -5.814 -5.898 303 2HD1 LEU 40 2HD1 LEU 40 2.886 -7.023 -5.260 304 3HD1 LEU 40 3HD1 LEU 40 2.263 -5.514 -5.924 305 1HD2 LEU 40 1HD2 LEU 40 1.477 -8.335 -6.758 306 2HD2 LEU 40 2HD2 LEU 40 1.613 -8.164 -8.508 307 3HD2 LEU 40 3HD2 LEU 40 0.807 -6.914 -7.561 308 H LYS 41 H LYS 41 5.210 -6.576 -10.437 309 HA LYS 41 HA LYS 41 6.665 -8.590 -9.169 310 1HB LYS 41 2HB LYS 41 5.786 -8.565 -11.534 311 2HB LYS 41 1HB LYS 41 7.150 -7.546 -11.962 312 1HG LYS 41 2HG LYS 41 8.689 -9.319 -11.269 313 2HG LYS 41 1HG LYS 41 7.309 -10.348 -10.870 314 1HD LYS 41 2HD LYS 41 6.554 -10.177 -13.219 315 2HD LYS 41 1HD LYS 41 8.006 -9.246 -13.591 316 1HE LYS 41 2HE LYS 41 9.397 -11.144 -12.929 317 2HE LYS 41 1HE LYS 41 7.953 -12.075 -12.534 318 1HZ LYS 41 1HZ LYS 41 8.755 -12.690 -14.699 319 2HZ LYS 41 2HZ LYS 41 8.735 -11.079 -15.222 320 3HZ LYS 41 3HZ LYS 41 7.280 -11.874 -14.876 321 H ASN 42 H ASN 42 7.742 -5.573 -10.647 322 HA ASN 42 HA ASN 42 10.494 -5.882 -10.335 323 1HB ASN 42 2HB ASN 42 8.723 -3.464 -10.492 324 2HB ASN 42 1HB ASN 42 10.451 -3.285 -10.205 325 1HD2 ASN 42 1HD2 ASN 42 8.875 -2.416 -12.473 326 2HD2 ASN 42 2HD2 ASN 42 9.552 -3.190 -13.864 327 H TRP 43 H TRP 43 8.085 -4.735 -8.023 328 HA TRP 43 HA TRP 43 9.985 -3.919 -6.055 329 1HB TRP 43 2HB TRP 43 7.069 -4.677 -5.775 330 2HB TRP 43 1HB TRP 43 8.041 -3.967 -4.493 331 HD1 TRP 43 HD TRP 43 9.344 -1.983 -7.050 332 HE1 TRP 43 1HE TRP 43 7.986 0.154 -7.513 333 HE3 TRP 43 3HE TRP 43 4.967 -3.287 -4.750 334 HZ2 TRP 43 2HZ TRP 43 5.412 1.164 -6.952 335 HZ3 TRP 43 3HZ TRP 43 3.112 -1.674 -4.751 336 HH2 TRP 43 HH TRP 43 3.330 0.506 -5.832 337 H ILE 44 H ILE 44 8.091 -6.857 -6.615 338 HA ILE 44 HA ILE 44 8.793 -8.232 -4.276 339 HB ILE 44 HB ILE 44 8.140 -9.389 -6.987 340 1HG1 ILE 44 2HG1 ILE 44 6.343 -8.849 -4.608 341 2HG1 ILE 44 1HG1 ILE 44 6.424 -7.847 -6.055 342 1HG2 ILE 44 1HG2 ILE 44 8.060 -10.660 -4.252 343 2HG2 ILE 44 2HG2 ILE 44 9.185 -11.052 -5.553 344 3HG2 ILE 44 3HG2 ILE 44 7.464 -11.401 -5.735 345 1HD1 ILE 44 1HD1 ILE 44 4.497 -9.348 -6.090 346 2HD1 ILE 44 2HD1 ILE 44 5.575 -10.741 -5.976 347 3HD1 ILE 44 3HD1 ILE 44 5.620 -9.706 -7.405 348 H ILE 45 H ILE 45 10.328 -8.219 -7.472 349 HA ILE 45 HA ILE 45 12.313 -10.143 -6.813 350 HB ILE 45 HB ILE 45 12.336 -8.058 -9.009 351 1HG1 ILE 45 2HG1 ILE 45 11.523 -10.976 -9.074 352 2HG1 ILE 45 1HG1 ILE 45 10.411 -9.611 -9.111 353 1HG2 ILE 45 1HG2 ILE 45 14.571 -8.873 -8.598 354 2HG2 ILE 45 2HG2 ILE 45 13.961 -9.573 -10.098 355 3HG2 ILE 45 3HG2 ILE 45 14.004 -10.541 -8.625 356 1HD1 ILE 45 1HD1 ILE 45 11.328 -8.898 -11.233 357 2HD1 ILE 45 2HD1 ILE 45 10.777 -10.571 -11.325 358 3HD1 ILE 45 3HD1 ILE 45 12.498 -10.213 -11.188 359 H LYS 46 H LYS 46 12.256 -6.611 -6.761 360 HA LYS 46 HA LYS 46 15.062 -6.353 -6.301 361 1HB LYS 46 2HB LYS 46 13.562 -4.626 -7.364 362 2HB LYS 46 1HB LYS 46 12.930 -4.285 -5.760 363 1HG LYS 46 2HG LYS 46 15.246 -3.714 -5.042 364 2HG LYS 46 1HG LYS 46 15.760 -3.906 -6.720 365 1HD LYS 46 2HD LYS 46 14.027 -2.191 -7.337 366 2HD LYS 46 1HD LYS 46 13.798 -1.905 -5.611 367 1HE LYS 46 2HE LYS 46 15.308 -0.248 -6.397 368 2HE LYS 46 1HE LYS 46 16.253 -1.408 -5.466 369 1HZ LYS 46 1HZ LYS 46 17.354 -0.775 -7.534 370 2HZ LYS 46 2HZ LYS 46 16.037 -1.361 -8.428 371 3HZ LYS 46 3HZ LYS 46 16.985 -2.429 -7.522 372 H TYR 47 H TYR 47 12.213 -5.934 -4.192 373 HA TYR 47 HA TYR 47 13.942 -5.412 -1.929 374 1HB TYR 47 2HB TYR 47 10.934 -5.542 -2.186 375 2HB TYR 47 1HB TYR 47 11.779 -5.156 -0.690 376 HD1 TYR 47 1HD TYR 47 12.741 -3.002 -0.333 377 HD2 TYR 47 2HD TYR 47 11.055 -3.987 -4.107 378 HE1 TYR 47 1HE TYR 47 12.849 -0.636 -0.993 379 HE2 TYR 47 2HE TYR 47 11.163 -1.629 -4.780 380 HH TYR 47 HH TYR 47 12.907 0.726 -3.014 381 H GLY 48 H GLY 48 12.125 -8.079 -3.228 382 1HA GLY 48 2HA GLY 48 12.058 -9.663 -0.860 383 2HA GLY 48 1HA GLY 48 11.832 -10.241 -2.504 384 H SER 49 H SER 49 14.595 -8.795 -2.920 385 HA SER 49 HA SER 49 16.159 -11.185 -2.572 386 1HB SER 49 2HB SER 49 16.418 -9.729 -4.568 387 2HB SER 49 1HB SER 49 17.023 -8.439 -3.529 388 HG SER 49 HG SER 49 18.243 -10.984 -3.505 389 H ASN 50 H ASN 50 15.624 -8.251 -0.854 390 HA ASN 50 HA ASN 50 16.389 -7.388 1.085 391 1HB ASN 50 2HB ASN 50 15.934 -9.553 2.068 392 2HB ASN 50 1HB ASN 50 17.467 -10.185 1.483 393 1HD2 ASN 50 1HD2 ASN 50 18.040 -10.769 3.584 394 2HD2 ASN 50 2HD2 ASN 50 18.594 -9.589 4.729 395 H HIS 51 H HIS 51 19.177 -9.532 0.814 396 HA HIS 51 HA HIS 51 20.806 -7.471 -0.398 397 1HB HIS 51 2HB HIS 51 21.112 -8.278 2.456 398 2HB HIS 51 1HB HIS 51 22.556 -7.922 1.528 399 HD1 HIS 51 1HD HIS 51 20.964 -6.272 3.963 400 HD2 HIS 51 2HD HIS 51 21.540 -5.248 -0.028 401 HE1 HIS 51 1HE HIS 51 20.749 -3.767 3.863 402 HE2 HIS 51 2HE HIS 51 21.313 -3.164 1.483 403 H ASN 52 H ASN 52 21.051 -8.910 -2.034 404 HA ASN 52 HA ASN 52 22.516 -11.398 -1.428 405 1HB ASN 52 2HB ASN 52 20.221 -11.367 -2.675 406 2HB ASN 52 1HB ASN 52 21.166 -10.812 -4.051 407 1HD2 ASN 52 1HD2 ASN 52 19.638 -13.286 -3.535 408 2HD2 ASN 52 2HD2 ASN 52 20.752 -14.574 -3.834 409 H VAL 53 H VAL 53 23.722 -8.849 -1.461 410 HA VAL 53 HA VAL 53 25.111 -8.501 -3.971 411 HB VAL 53 HB VAL 53 25.602 -7.196 -1.285 412 1HG1 VAL 53 1HG1 VAL 53 27.554 -7.028 -2.699 413 2HG1 VAL 53 2HG1 VAL 53 26.763 -5.457 -2.580 414 3HG1 VAL 53 3HG1 VAL 53 26.567 -6.434 -4.035 415 1HG2 VAL 53 1HG2 VAL 53 24.345 -5.306 -2.158 416 2HG2 VAL 53 2HG2 VAL 53 23.354 -6.767 -2.129 417 3HG2 VAL 53 3HG2 VAL 53 24.035 -6.192 -3.652 418 H GLN 54 H GLN 54 25.580 -10.076 -0.944 419 HA GLN 54 HA GLN 54 28.337 -10.793 -1.681 420 1HB GLN 54 2HB GLN 54 28.936 -10.809 0.638 421 2HB GLN 54 1HB GLN 54 28.117 -9.285 0.327 422 1HG GLN 54 2HG GLN 54 26.866 -11.715 1.605 423 2HG GLN 54 1HG GLN 54 27.468 -10.302 2.464 424 1HE2 GLN 54 1HE2 GLN 54 24.767 -11.541 2.227 425 2HE2 GLN 54 2HE2 GLN 54 23.721 -10.256 1.725 426 H GLY 55 H GLY 55 28.945 -12.944 -1.460 427 1HA GLY 55 2HA GLY 55 28.252 -14.942 0.042 428 2HA GLY 55 1HA GLY 55 26.758 -14.812 -0.858 429 H THR 56 H THR 56 30.181 -15.360 -1.133 430 HA THR 56 HA THR 56 31.463 -16.640 -2.504 431 HB THR 56 HB THR 56 29.215 -18.536 -2.698 432 HG1 THR 56 1HG THR 56 29.986 -17.351 -0.424 433 1HG2 THR 56 1HG2 THR 56 31.377 -19.153 -3.644 434 2HG2 THR 56 2HG2 THR 56 30.980 -20.173 -2.261 435 3HG2 THR 56 3HG2 THR 56 32.141 -18.860 -2.080 436 H THR 57 H THR 57 31.745 -15.606 -4.385 437 HA THR 57 HA THR 57 29.864 -16.164 -6.579 438 HB THR 57 HB THR 57 31.997 -14.016 -6.441 439 HG1 THR 57 1HG THR 57 29.675 -14.062 -5.252 440 1HG2 THR 57 1HG2 THR 57 29.797 -14.501 -8.455 441 2HG2 THR 57 2HG2 THR 57 31.521 -14.734 -8.730 442 3HG2 THR 57 3HG2 THR 57 30.886 -13.115 -8.441 443 HA PRO 58 HA PRO 58 33.098 -19.057 -7.774 444 1HB PRO 58 2HB PRO 58 31.278 -19.662 -10.000 445 2HB PRO 58 1HB PRO 58 31.881 -20.725 -8.725 446 1HG PRO 58 2HG PRO 58 29.320 -19.900 -8.802 447 2HG PRO 58 1HG PRO 58 30.180 -20.168 -7.274 448 1HD PRO 58 2HD PRO 58 29.583 -17.592 -8.688 449 2HD PRO 58 1HD PRO 58 29.507 -17.968 -6.953 450 H SER 59 H SER 59 31.639 -16.583 -9.681 451 HA SER 59 HA SER 59 33.118 -16.839 -12.051 452 1HB SER 59 2HB SER 59 32.065 -14.249 -10.905 453 2HB SER 59 1HB SER 59 32.281 -14.669 -12.604 454 HG SER 59 HG SER 59 30.101 -14.880 -12.024 455 H ALA 60 H ALA 60 33.936 -15.557 -8.943 456 HA ALA 60 HA ALA 60 36.130 -13.940 -9.860 457 1HB ALA 60 1HB ALA 60 34.870 -13.374 -7.830 458 2HB ALA 60 2HB ALA 60 36.591 -13.576 -7.505 459 3HB ALA 60 3HB ALA 60 35.455 -14.851 -7.067 460 H ALA 61 H ALA 61 35.651 -17.236 -9.093 461 HA ALA 61 HA ALA 61 38.310 -17.802 -8.196 462 1HB ALA 61 1HB ALA 61 36.411 -19.161 -7.467 463 2HB ALA 61 2HB ALA 61 37.637 -20.138 -8.274 464 3HB ALA 61 3HB ALA 61 36.163 -19.693 -9.131 465 H VAL 62 H VAL 62 37.088 -17.079 -11.161 466 HA VAL 62 HA VAL 62 38.668 -18.862 -12.766 467 HB VAL 62 HB VAL 62 37.333 -16.271 -13.569 468 1HG1 VAL 62 1HG1 VAL 62 38.332 -18.560 -15.268 469 2HG1 VAL 62 2HG1 VAL 62 39.081 -16.967 -15.135 470 3HG1 VAL 62 3HG1 VAL 62 37.475 -17.131 -15.846 471 1HG2 VAL 62 1HG2 VAL 62 36.327 -19.106 -13.836 472 2HG2 VAL 62 2HG2 VAL 62 35.503 -17.643 -14.379 473 3HG2 VAL 62 3HG2 VAL 62 35.752 -17.926 -12.657 474 H SER 63 H SER 63 38.892 -15.504 -11.752 475 HA SER 63 HA SER 63 41.480 -15.119 -12.941 476 1HB SER 63 2HB SER 63 40.093 -13.430 -10.845 477 2HB SER 63 1HB SER 63 41.424 -12.934 -11.894 478 HG SER 63 HG SER 63 39.903 -13.432 -13.681 479 H GLU 64 H GLU 64 40.169 -15.828 -9.756 480 HA GLU 64 HA GLU 64 42.483 -15.551 -8.210 481 1HB GLU 64 2HB GLU 64 40.043 -15.881 -7.487 482 2HB GLU 64 1HB GLU 64 40.325 -17.598 -7.718 483 1HG GLU 64 2HG GLU 64 40.620 -17.228 -5.435 484 2HG GLU 64 1HG GLU 64 42.250 -17.356 -6.091 485 H ALA 65 H ALA 65 41.495 -18.033 -10.381 486 HA ALA 65 HA ALA 65 42.934 -20.229 -9.415 487 1HB ALA 65 1HB ALA 65 41.191 -20.424 -11.100 488 2HB ALA 65 2HB ALA 65 42.694 -21.159 -11.656 489 3HB ALA 65 3HB ALA 65 42.209 -19.575 -12.262 490 H GLU 66 H GLU 66 43.997 -17.397 -11.094 491 HA GLU 66 HA GLU 66 46.405 -18.472 -12.168 492 1HB GLU 66 2HB GLU 66 45.312 -16.399 -12.998 493 2HB GLU 66 1HB GLU 66 45.743 -15.601 -11.493 494 1HG GLU 66 2HG GLU 66 48.109 -15.909 -12.002 495 2HG GLU 66 1HG GLU 66 47.678 -16.721 -13.506 496 H GLN 67 H GLN 67 45.626 -16.606 -9.259 497 HA GLN 67 HA GLN 67 48.280 -16.568 -8.259 498 1HB GLN 67 2HB GLN 67 45.608 -16.157 -6.908 499 2HB GLN 67 1HB GLN 67 47.146 -15.960 -6.081 500 1HG GLN 67 2HG GLN 67 46.386 -13.812 -6.710 501 2HG GLN 67 1HG GLN 67 47.742 -14.219 -7.759 502 1HE2 GLN 67 1HE2 GLN 67 47.126 -12.801 -9.372 503 2HE2 GLN 67 2HE2 GLN 67 45.744 -13.068 -10.372 504 H ILE 68 H ILE 68 45.518 -18.701 -7.813 505 HA ILE 68 HA ILE 68 46.665 -20.362 -5.834 506 HB ILE 68 HB ILE 68 44.359 -20.583 -7.701 507 1HG1 ILE 68 2HG1 ILE 68 43.173 -21.146 -5.616 508 2HG1 ILE 68 1HG1 ILE 68 44.701 -21.131 -4.746 509 1HG2 ILE 68 1HG2 ILE 68 45.375 -22.742 -8.063 510 2HG2 ILE 68 2HG2 ILE 68 43.929 -22.920 -7.068 511 3HG2 ILE 68 3HG2 ILE 68 45.525 -22.995 -6.323 512 1HD1 ILE 68 1HD1 ILE 68 43.424 -18.784 -6.114 513 2HD1 ILE 68 2HD1 ILE 68 44.965 -18.762 -5.255 514 3HD1 ILE 68 3HD1 ILE 68 43.469 -19.087 -4.377 515 H ARG 69 H ARG 69 46.832 -20.366 -9.353 516 HA ARG 69 HA ARG 69 48.109 -22.817 -9.746 517 1HB ARG 69 2HB ARG 69 47.270 -21.514 -11.623 518 2HB ARG 69 1HB ARG 69 48.426 -20.232 -11.284 519 1HG ARG 69 2HG ARG 69 50.266 -21.722 -11.835 520 2HG ARG 69 1HG ARG 69 49.128 -23.035 -12.135 521 1HD ARG 69 2HD ARG 69 49.204 -20.419 -13.634 522 2HD ARG 69 1HD ARG 69 49.884 -21.941 -14.210 523 HE ARG 69 HE ARG 69 47.069 -22.015 -13.516 524 1HH1 ARG 69 1HH1 ARG 69 49.442 -21.511 -16.044 525 2HH1 ARG 69 2HH1 ARG 69 48.361 -21.957 -17.330 526 1HH2 ARG 69 1HH2 ARG 69 45.622 -22.532 -15.206 527 2HH2 ARG 69 2HH2 ARG 69 46.174 -22.488 -16.852 528 H GLN 70 H GLN 70 49.460 -19.630 -9.043 529 HA GLN 70 HA GLN 70 52.177 -20.369 -9.166 530 1HB GLN 70 2HB GLN 70 50.976 -18.030 -9.050 531 2HB GLN 70 1HB GLN 70 51.208 -18.227 -7.323 532 1HG GLN 70 2HG GLN 70 53.563 -18.681 -9.047 533 2HG GLN 70 1HG GLN 70 52.978 -17.027 -8.901 534 1HE2 GLN 70 1HE2 GLN 70 54.346 -19.749 -7.203 535 2HE2 GLN 70 2HE2 GLN 70 54.842 -18.867 -5.800 536 H LEU 71 H LEU 71 49.832 -20.259 -6.550 537 HA LEU 71 HA LEU 71 51.539 -20.947 -4.429 538 1HB LEU 71 2HB LEU 71 49.142 -20.084 -4.347 539 2HB LEU 71 1HB LEU 71 48.636 -21.729 -4.665 540 HG LEU 71 HG LEU 71 50.350 -21.057 -2.285 541 1HD1 LEU 71 1HD1 LEU 71 48.287 -20.901 -0.966 542 2HD1 LEU 71 2HD1 LEU 71 47.338 -21.007 -2.450 543 3HD1 LEU 71 3HD1 LEU 71 48.388 -19.618 -2.174 544 1HD2 LEU 71 1HD2 LEU 71 50.154 -23.418 -2.872 545 2HD2 LEU 71 2HD2 LEU 71 48.397 -23.286 -2.865 546 3HD2 LEU 71 3HD2 LEU 71 49.303 -23.078 -1.368 547 H LYS 72 H LYS 72 49.687 -22.941 -6.694 548 HA LYS 72 HA LYS 72 50.402 -25.428 -5.496 549 1HB LYS 72 2HB LYS 72 49.465 -24.839 -8.307 550 2HB LYS 72 1HB LYS 72 49.563 -26.438 -7.584 551 1HG LYS 72 2HG LYS 72 47.808 -24.197 -6.602 552 2HG LYS 72 1HG LYS 72 47.279 -25.543 -7.613 553 1HD LYS 72 2HD LYS 72 47.903 -27.115 -5.842 554 2HD LYS 72 1HD LYS 72 48.439 -25.766 -4.835 555 1HE LYS 72 2HE LYS 72 46.231 -26.428 -4.150 556 2HE LYS 72 1HE LYS 72 46.151 -24.844 -4.915 557 1HZ LYS 72 1HZ LYS 72 44.363 -26.036 -5.786 558 2HZ LYS 72 2HZ LYS 72 45.272 -27.454 -5.995 559 3HZ LYS 72 3HZ LYS 72 45.534 -26.126 -7.010 560 H LYS 73 H LYS 73 51.588 -23.671 -8.335 561 HA LYS 73 HA LYS 73 53.609 -25.687 -8.842 562 1HB LYS 73 2HB LYS 73 52.420 -24.643 -10.721 563 2HB LYS 73 1HB LYS 73 53.046 -23.069 -10.249 564 1HG LYS 73 2HG LYS 73 55.369 -24.148 -10.553 565 2HG LYS 73 1HG LYS 73 54.497 -25.384 -11.462 566 1HD LYS 73 2HD LYS 73 53.628 -23.711 -12.973 567 2HD LYS 73 1HD LYS 73 54.379 -22.425 -12.024 568 1HE LYS 73 2HE LYS 73 56.592 -23.582 -12.495 569 2HE LYS 73 1HE LYS 73 55.717 -24.537 -13.692 570 1HZ LYS 73 1HZ LYS 73 56.719 -22.664 -14.762 571 2HZ LYS 73 2HZ LYS 73 56.022 -21.584 -13.653 572 3HZ LYS 73 3HZ LYS 73 55.038 -22.427 -14.750 573 H GLU 74 H GLU 74 54.927 -25.500 -7.001 574 HA GLU 74 HA GLU 74 56.394 -23.022 -6.628 575 1HB GLU 74 2HB GLU 74 56.548 -25.696 -5.248 576 2HB GLU 74 1HB GLU 74 57.646 -24.373 -4.900 577 1HG GLU 74 2HG GLU 74 55.660 -22.989 -4.298 578 2HG GLU 74 1HG GLU 74 54.679 -24.450 -4.453 579 H ASN 75 H ASN 75 57.465 -26.385 -6.933 580 HA ASN 75 HA ASN 75 59.618 -25.533 -8.733 581 1HB ASN 75 2HB ASN 75 61.186 -26.988 -7.372 582 2HB ASN 75 1HB ASN 75 60.689 -25.487 -6.601 583 1HD2 ASN 75 1HD2 ASN 75 59.535 -25.551 -4.719 584 2HD2 ASN 75 2HD2 ASN 75 59.128 -27.022 -3.900 585 H ALA 76 H ALA 76 60.805 -27.464 -9.630 586 HA ALA 76 HA ALA 76 58.922 -29.202 -10.822 587 1HB ALA 76 1HB ALA 76 61.931 -29.326 -10.878 588 2HB ALA 76 2HB ALA 76 60.913 -28.414 -11.995 589 3HB ALA 76 3HB ALA 76 60.834 -30.176 -11.969 590 H LEU 77 H LEU 77 60.926 -29.453 -8.021 591 HA LEU 77 HA LEU 77 61.141 -32.234 -7.802 592 1HB LEU 77 2HB LEU 77 60.961 -30.165 -5.617 593 2HB LEU 77 1HB LEU 77 61.511 -31.812 -5.408 594 HG LEU 77 HG LEU 77 62.872 -29.734 -7.117 595 1HD1 LEU 77 1HD1 LEU 77 63.043 -29.225 -4.738 596 2HD1 LEU 77 2HD1 LEU 77 64.597 -29.742 -5.393 597 3HD1 LEU 77 3HD1 LEU 77 63.635 -30.857 -4.423 598 1HD2 LEU 77 1HD2 LEU 77 64.683 -31.357 -7.275 599 2HD2 LEU 77 2HD2 LEU 77 63.191 -32.009 -7.950 600 3HD2 LEU 77 3HD2 LEU 77 63.734 -32.522 -6.353 601 H GLN 78 H GLN 78 58.543 -30.031 -6.954 602 HA GLN 78 HA GLN 78 56.948 -31.802 -5.464 603 1HB GLN 78 2HB GLN 78 56.547 -29.365 -5.608 604 2HB GLN 78 1HB GLN 78 56.053 -29.557 -7.285 605 1HG GLN 78 2HG GLN 78 54.276 -31.156 -6.399 606 2HG GLN 78 1HG GLN 78 54.659 -30.502 -4.807 607 1HE2 GLN 78 1HE2 GLN 78 54.135 -28.369 -4.333 608 2HE2 GLN 78 2HE2 GLN 78 53.054 -27.442 -5.325 609 H ARG 79 H ARG 79 57.339 -31.303 -8.912 610 HA ARG 79 HA ARG 79 55.169 -33.108 -9.559 611 1HB ARG 79 2HB ARG 79 57.112 -31.553 -11.261 612 2HB ARG 79 1HB ARG 79 55.896 -32.637 -11.927 613 1HG ARG 79 2HG ARG 79 55.292 -30.263 -10.174 614 2HG ARG 79 1HG ARG 79 55.219 -30.258 -11.938 615 1HD ARG 79 2HD ARG 79 53.705 -32.367 -10.496 616 2HD ARG 79 1HD ARG 79 53.081 -30.721 -10.430 617 HE ARG 79 HE ARG 79 52.665 -30.783 -12.722 618 1HH1 ARG 79 1HH1 ARG 79 54.096 -33.791 -11.617 619 2HH1 ARG 79 2HH1 ARG 79 53.723 -34.654 -13.077 620 1HH2 ARG 79 1HH2 ARG 79 52.136 -31.934 -14.624 621 2HH2 ARG 79 2HH2 ARG 79 52.592 -33.607 -14.774 622 H ALA 80 H ALA 80 58.496 -33.285 -8.955 623 HA ALA 80 HA ALA 80 59.050 -35.679 -10.406 624 1HB ALA 80 1HB ALA 80 60.832 -34.165 -9.638 625 2HB ALA 80 2HB ALA 80 61.066 -35.813 -9.055 626 3HB ALA 80 3HB ALA 80 60.441 -34.573 -7.967 627 H ARG 81 H ARG 81 57.451 -34.924 -7.474 628 HA ARG 81 HA ARG 81 57.563 -37.522 -6.286 629 1HB ARG 81 2HB ARG 81 55.700 -35.191 -5.848 630 2HB ARG 81 1HB ARG 81 55.660 -36.664 -4.897 631 1HG ARG 81 2HG ARG 81 57.897 -36.241 -4.083 632 2HG ARG 81 1HG ARG 81 58.022 -34.809 -5.109 633 1HD ARG 81 2HD ARG 81 56.168 -33.779 -3.902 634 2HD ARG 81 1HD ARG 81 56.020 -35.215 -2.890 635 HE ARG 81 HE ARG 81 58.439 -34.642 -2.244 636 1HH1 ARG 81 1HH1 ARG 81 55.949 -32.295 -2.998 637 2HH1 ARG 81 2HH1 ARG 81 56.638 -31.058 -1.993 638 1HH2 ARG 81 1HH2 ARG 81 59.318 -33.011 -0.888 639 2HH2 ARG 81 2HH2 ARG 81 58.544 -31.454 -0.822 640 H THR 82 H THR 82 55.651 -35.972 -8.660 641 HA THR 82 HA THR 82 53.411 -37.716 -8.652 642 HB THR 82 HB THR 82 54.420 -36.178 -11.045 643 HG1 THR 82 1HG THR 82 52.955 -35.231 -8.784 644 1HG2 THR 82 1HG2 THR 82 52.010 -35.956 -11.526 645 2HG2 THR 82 2HG2 THR 82 51.645 -36.917 -10.093 646 3HG2 THR 82 3HG2 THR 82 52.510 -37.645 -11.447 647 H ARG 83 H ARG 83 56.588 -37.854 -9.910 648 HA ARG 83 HA ARG 83 56.091 -40.100 -11.666 649 1HB ARG 83 2HB ARG 83 58.620 -38.693 -10.799 650 2HB ARG 83 1HB ARG 83 58.603 -40.070 -11.884 651 1HG ARG 83 2HG ARG 83 57.383 -38.821 -13.535 652 2HG ARG 83 1HG ARG 83 57.210 -37.458 -12.426 653 1HD ARG 83 2HD ARG 83 59.558 -37.042 -12.453 654 2HD ARG 83 1HD ARG 83 59.872 -38.541 -13.326 655 HE ARG 83 HE ARG 83 58.633 -37.490 -15.222 656 1HH1 ARG 83 1HH1 ARG 83 60.185 -35.495 -12.794 657 2HH1 ARG 83 2HH1 ARG 83 60.411 -34.151 -13.864 658 1HH2 ARG 83 1HH2 ARG 83 58.944 -35.716 -16.630 659 2HH2 ARG 83 2HH2 ARG 83 59.708 -34.269 -16.031 660 H HIS 84 H HIS 84 56.727 -42.219 -11.250 661 HA HIS 84 HA HIS 84 57.792 -42.733 -8.544 662 1HB HIS 84 2HB HIS 84 55.826 -44.377 -10.143 663 2HB HIS 84 1HB HIS 84 56.712 -45.030 -8.769 664 HD1 HIS 84 1HD HIS 84 53.780 -45.113 -8.452 665 HD2 HIS 84 2HD HIS 84 55.986 -41.732 -7.453 666 HE1 HIS 84 1HE HIS 84 52.357 -43.829 -6.828 667 HE2 HIS 84 2HE HIS 84 53.615 -41.681 -6.422 668 HA PRO 85 HA PRO 85 60.821 -44.464 -11.476 669 1HB PRO 85 2HB PRO 85 62.937 -42.970 -10.756 670 2HB PRO 85 1HB PRO 85 61.696 -42.357 -11.853 671 1HG PRO 85 2HG PRO 85 62.237 -41.642 -9.049 672 2HG PRO 85 1HG PRO 85 61.394 -40.720 -10.302 673 1HD PRO 85 2HD PRO 85 60.263 -42.324 -8.193 674 2HD PRO 85 1HD PRO 85 59.417 -41.360 -9.416 675 H ALA 86 H ALA 86 63.235 -45.127 -10.844 676 HA ALA 86 HA ALA 86 63.359 -46.074 -8.087 677 1HB ALA 86 1HB ALA 86 63.579 -47.914 -10.472 678 2HB ALA 86 2HB ALA 86 62.270 -47.897 -9.287 679 3HB ALA 86 3HB ALA 86 63.900 -48.363 -8.795 680 H GLU 87 H GLU 87 65.412 -46.253 -7.309 681 HA GLU 87 HA GLU 87 67.536 -45.073 -8.851 682 1HB GLU 87 2HB GLU 87 67.242 -44.766 -6.378 683 2HB GLU 87 1HB GLU 87 67.686 -46.452 -6.161 684 1HG GLU 87 2HG GLU 87 69.883 -46.020 -7.083 685 2HG GLU 87 1HG GLU 87 69.439 -44.342 -7.396 686 H SER 88 H SER 88 66.359 -48.213 -8.138 687 HA SER 88 HA SER 88 68.587 -49.807 -8.683 688 1HB SER 88 2HB SER 88 66.469 -50.653 -7.734 689 2HB SER 88 1HB SER 88 65.670 -50.380 -9.279 690 HG SER 88 HG SER 88 67.528 -51.846 -10.053 691 H CYS 89 H CYS 89 66.547 -47.963 -10.812 692 HA CYS 89 HA CYS 89 67.123 -49.400 -13.192 693 1HB CYS 89 2HB CYS 89 66.171 -46.556 -12.841 694 2HB CYS 89 1HB CYS 89 66.136 -47.469 -14.346 695 HG CYS 89 HG CYS 89 63.846 -48.569 -13.975 696 H LEU 90 H LEU 90 68.809 -46.974 -11.414 697 HA LEU 90 HA LEU 90 70.435 -45.967 -13.522 698 1HB LEU 90 2HB LEU 90 71.166 -46.113 -10.595 699 2HB LEU 90 1HB LEU 90 71.808 -45.009 -11.797 700 HG LEU 90 HG LEU 90 68.977 -45.028 -10.772 701 1HD1 LEU 90 1HD1 LEU 90 70.566 -44.248 -9.096 702 2HD1 LEU 90 2HD1 LEU 90 69.579 -42.916 -9.697 703 3HD1 LEU 90 3HD1 LEU 90 71.241 -43.103 -10.255 704 1HD2 LEU 90 1HD2 LEU 90 68.747 -42.920 -12.015 705 2HD2 LEU 90 2HD2 LEU 90 69.094 -44.279 -13.085 706 3HD2 LEU 90 3HD2 LEU 90 70.371 -43.138 -12.668 707 H GLU 91 H GLU 91 70.836 -48.493 -11.100 708 HA GLU 91 HA GLU 91 73.385 -49.343 -12.144 709 1HB GLU 91 2HB GLU 91 72.849 -49.610 -9.755 710 2HB GLU 91 1HB GLU 91 71.517 -50.682 -10.171 711 1HG GLU 91 2HG GLU 91 73.110 -52.277 -11.123 712 2HG GLU 91 1HG GLU 91 74.438 -51.207 -10.685 713 H HIS 92 H HIS 92 70.072 -50.560 -12.161 714 HA HIS 92 HA HIS 92 68.957 -52.055 -13.436 715 1HB HIS 92 2HB HIS 92 69.896 -50.538 -15.268 716 2HB HIS 92 1HB HIS 92 71.129 -51.770 -15.518 717 HD1 HIS 92 1HD HIS 92 70.533 -53.114 -17.519 718 HD2 HIS 92 2HD HIS 92 67.185 -52.082 -15.275 719 HE1 HIS 92 1HE HIS 92 68.581 -54.199 -18.671 720 HE2 HIS 92 2HE HIS 92 66.621 -53.770 -17.144 721 H HIS 93 H HIS 93 70.992 -52.919 -11.574 722 HA HIS 93 HA HIS 93 71.506 -55.601 -12.687 723 1HB HIS 93 2HB HIS 93 73.099 -54.022 -10.658 724 2HB HIS 93 1HB HIS 93 73.297 -55.753 -10.883 725 HD1 HIS 93 1HD HIS 93 73.110 -53.004 -13.524 726 HD2 HIS 93 2HD HIS 93 75.695 -55.932 -12.110 727 HE1 HIS 93 1HE HIS 93 75.087 -52.956 -15.064 728 HE2 HIS 93 2HE HIS 93 76.731 -54.562 -14.045 729 H HIS 94 H HIS 94 71.994 -56.971 -10.406 730 HA HIS 94 HA HIS 94 69.738 -56.398 -8.607 731 1HB HIS 94 2HB HIS 94 69.393 -58.330 -10.298 732 2HB HIS 94 1HB HIS 94 70.571 -59.205 -9.330 733 HD1 HIS 94 1HD HIS 94 67.019 -58.218 -9.447 734 HD2 HIS 94 2HD HIS 94 69.670 -59.839 -6.680 735 HE1 HIS 94 1HE HIS 94 65.590 -59.141 -7.599 736 HE2 HIS 94 2HE HIS 94 67.205 -60.301 -6.044 737 H HIS 95 H HIS 95 72.154 -55.425 -8.054 738 HA HIS 95 HA HIS 95 74.065 -57.085 -6.882 739 1HB HIS 95 2HB HIS 95 74.324 -54.655 -7.532 740 2HB HIS 95 1HB HIS 95 73.472 -54.241 -6.051 741 HD1 HIS 95 1HD HIS 95 76.769 -55.375 -7.341 742 HD2 HIS 95 2HD HIS 95 74.952 -54.654 -3.669 743 HE1 HIS 95 1HE HIS 95 78.638 -55.310 -5.653 744 HE2 HIS 95 2HE HIS 95 77.529 -54.677 -3.478 745 H HIS 96 H HIS 96 72.180 -54.804 -4.911 746 HA HIS 96 HA HIS 96 71.228 -54.950 -2.849 747 1HB HIS 96 2HB HIS 96 69.878 -56.701 -4.117 748 2HB HIS 96 1HB HIS 96 70.921 -57.912 -3.386 749 HD1 HIS 96 1HD HIS 96 70.091 -58.864 -1.253 750 HD2 HIS 96 2HD HIS 96 68.458 -55.113 -2.031 751 HE1 HIS 96 1HE HIS 96 68.419 -58.452 0.577 752 HE2 HIS 96 2HE HIS 96 67.304 -56.275 -0.025 753 H HIS 97 H HIS 97 71.413 -56.220 -0.646 754 HA HIS 97 HA HIS 97 74.030 -57.494 -0.406 755 1HB HIS 97 2HB HIS 97 74.388 -56.358 1.788 756 2HB HIS 97 1HB HIS 97 74.409 -55.257 0.419 757 HD1 HIS 97 1HD HIS 97 72.407 -53.572 0.216 758 HD2 HIS 97 2HD HIS 97 72.402 -55.889 3.675 759 HE1 HIS 97 1HE HIS 97 70.760 -52.474 1.773 760 HE2 HIS 97 2HE HIS 97 70.644 -53.994 3.782 Start of MODEL 20 1 1H MET 1 1HT MET 1 -1.488 18.334 -6.092 2 2H MET 1 2HT MET 1 -1.104 18.372 -4.439 3 3H MET 1 3HT MET 1 -2.661 17.921 -4.940 4 HA MET 1 HA MET 1 -1.786 15.965 -6.019 5 1HB MET 1 2HB MET 1 0.431 16.827 -6.557 6 2HB MET 1 1HB MET 1 0.835 16.927 -4.849 7 1HG MET 1 2HG MET 1 0.833 14.551 -4.640 8 2HG MET 1 1HG MET 1 0.177 14.355 -6.264 9 1HE MET 1 1HE MET 1 4.400 16.035 -5.469 10 2HE MET 1 2HE MET 1 3.273 15.619 -4.179 11 3HE MET 1 3HE MET 1 2.921 16.972 -5.255 12 HA PRO 2 HA PRO 2 -3.150 14.640 -1.983 13 1HB PRO 2 2HB PRO 2 -4.048 12.212 -2.741 14 2HB PRO 2 1HB PRO 2 -4.904 13.704 -3.152 15 1HG PRO 2 2HG PRO 2 -3.024 12.078 -4.831 16 2HG PRO 2 1HG PRO 2 -4.595 12.778 -5.272 17 1HD PRO 2 2HD PRO 2 -2.245 13.948 -5.927 18 2HD PRO 2 1HD PRO 2 -3.712 14.884 -5.579 19 H THR 3 H THR 3 -0.308 14.094 -3.065 20 HA THR 3 HA THR 3 1.493 12.834 -2.793 21 HB THR 3 HB THR 3 1.862 11.922 -0.545 22 HG1 THR 3 1HG THR 3 -0.815 12.054 -0.378 23 1HG2 THR 3 1HG2 THR 3 1.760 14.096 0.631 24 2HG2 THR 3 2HG2 THR 3 0.783 14.719 -0.697 25 3HG2 THR 3 3HG2 THR 3 2.443 14.204 -0.991 26 H LYS 4 H LYS 4 1.705 11.237 -4.133 27 HA LYS 4 HA LYS 4 0.072 8.822 -3.818 28 1HB LYS 4 2HB LYS 4 0.861 8.322 -6.137 29 2HB LYS 4 1HB LYS 4 -0.060 9.816 -6.008 30 1HG LYS 4 2HG LYS 4 2.083 11.065 -5.919 31 2HG LYS 4 1HG LYS 4 2.933 9.546 -6.210 32 1HD LYS 4 2HD LYS 4 1.883 9.299 -8.342 33 2HD LYS 4 1HD LYS 4 0.829 10.680 -8.034 34 1HE LYS 4 2HE LYS 4 2.820 12.134 -7.934 35 2HE LYS 4 1HE LYS 4 3.829 10.747 -8.343 36 1HZ LYS 4 1HZ LYS 4 2.757 10.576 -10.457 37 2HZ LYS 4 2HZ LYS 4 3.261 12.179 -10.263 38 3HZ LYS 4 3HZ LYS 4 1.628 11.771 -10.055 39 H THR 5 H THR 5 2.966 9.994 -2.948 40 HA THR 5 HA THR 5 4.818 7.988 -3.473 41 HB THR 5 HB THR 5 5.901 8.873 -1.350 42 HG1 THR 5 1HG THR 5 3.809 9.634 -0.502 43 1HG2 THR 5 1HG2 THR 5 5.159 10.832 -3.518 44 2HG2 THR 5 2HG2 THR 5 6.510 9.700 -3.562 45 3HG2 THR 5 3HG2 THR 5 6.502 11.017 -2.390 46 H TYR 6 H TYR 6 4.974 5.990 -2.771 47 HA TYR 6 HA TYR 6 3.324 5.128 -0.511 48 1HB TYR 6 2HB TYR 6 4.111 2.798 -1.527 49 2HB TYR 6 1HB TYR 6 2.742 3.680 -2.193 50 HD1 TYR 6 1HD TYR 6 6.417 3.201 -2.650 51 HD2 TYR 6 2HD TYR 6 2.702 4.220 -4.463 52 HE1 TYR 6 1HE TYR 6 7.503 3.216 -4.856 53 HE2 TYR 6 2HE TYR 6 3.781 4.235 -6.673 54 HH TYR 6 HH TYR 6 6.035 4.533 -7.619 55 H SER 7 H SER 7 4.185 4.151 1.254 56 HA SER 7 HA SER 7 6.888 4.754 1.884 57 1HB SER 7 2HB SER 7 4.992 2.905 3.354 58 2HB SER 7 1HB SER 7 6.410 3.714 4.022 59 HG SER 7 HG SER 7 3.961 4.853 3.169 60 H GLU 8 H GLU 8 8.569 3.243 2.470 61 HA GLU 8 HA GLU 8 9.014 1.203 0.598 62 1HB GLU 8 2HB GLU 8 10.903 0.540 2.122 63 2HB GLU 8 1HB GLU 8 10.898 2.233 1.644 64 1HG GLU 8 2HG GLU 8 9.986 2.874 3.784 65 2HG GLU 8 1HG GLU 8 9.848 1.184 4.263 66 H GLU 9 H GLU 9 7.711 1.164 3.845 67 HA GLU 9 HA GLU 9 7.693 -1.633 4.225 68 1HB GLU 9 2HB GLU 9 7.445 0.162 5.980 69 2HB GLU 9 1HB GLU 9 5.792 0.376 5.431 70 1HG GLU 9 2HG GLU 9 5.178 -1.792 6.135 71 2HG GLU 9 1HG GLU 9 6.859 -2.254 6.408 72 H PHE 10 H PHE 10 5.529 0.573 2.635 73 HA PHE 10 HA PHE 10 3.279 -1.121 2.415 74 1HB PHE 10 2HB PHE 10 3.208 1.322 2.041 75 2HB PHE 10 1HB PHE 10 4.159 1.116 0.577 76 HD1 PHE 10 1HD PHE 10 0.910 0.340 2.152 77 HD2 PHE 10 2HD PHE 10 3.141 0.552 -1.465 78 HE1 PHE 10 1HE PHE 10 -1.162 0.034 0.859 79 HE2 PHE 10 2HE PHE 10 1.075 0.254 -2.763 80 HZ PHE 10 HZ PHE 10 -1.081 -0.009 -1.603 81 H LYS 11 H LYS 11 5.965 -0.470 0.157 82 HA LYS 11 HA LYS 11 5.162 -2.367 -1.776 83 1HB LYS 11 2HB LYS 11 7.964 -1.364 -1.234 84 2HB LYS 11 1HB LYS 11 7.358 -2.044 -2.740 85 1HG LYS 11 2HG LYS 11 5.730 -0.118 -2.808 86 2HG LYS 11 1HG LYS 11 6.654 0.591 -1.483 87 1HD LYS 11 2HD LYS 11 7.765 -0.169 -4.181 88 2HD LYS 11 1HD LYS 11 7.333 1.465 -3.686 89 1HE LYS 11 2HE LYS 11 8.996 1.275 -1.856 90 2HE LYS 11 1HE LYS 11 9.488 -0.281 -2.520 91 1HZ LYS 11 1HZ LYS 11 10.073 0.860 -4.592 92 2HZ LYS 11 2HZ LYS 11 10.954 1.465 -3.275 93 3HZ LYS 11 3HZ LYS 11 9.645 2.343 -3.898 94 H ARG 12 H ARG 12 7.105 -2.520 1.115 95 HA ARG 12 HA ARG 12 8.127 -5.128 0.845 96 1HB ARG 12 2HB ARG 12 9.133 -3.835 2.507 97 2HB ARG 12 1HB ARG 12 7.601 -3.260 3.133 98 1HG ARG 12 2HG ARG 12 8.271 -6.146 3.429 99 2HG ARG 12 1HG ARG 12 9.071 -4.970 4.469 100 1HD ARG 12 2HD ARG 12 6.786 -4.092 5.059 101 2HD ARG 12 1HD ARG 12 6.111 -5.476 4.199 102 HE ARG 12 HE ARG 12 8.041 -6.095 6.274 103 1HH1 ARG 12 1HH1 ARG 12 4.645 -5.713 5.456 104 2HH1 ARG 12 2HH1 ARG 12 4.085 -6.632 6.814 105 1HH2 ARG 12 1HH2 ARG 12 7.313 -7.289 8.048 106 2HH2 ARG 12 2HH2 ARG 12 5.612 -7.535 8.302 107 H ASP 13 H ASP 13 5.058 -3.886 2.009 108 HA ASP 13 HA ASP 13 4.122 -6.323 3.142 109 1HB ASP 13 2HB ASP 13 3.313 -3.804 3.416 110 2HB ASP 13 1HB ASP 13 2.216 -4.261 2.118 111 H ALA 14 H ALA 14 3.885 -4.809 -0.008 112 HA ALA 14 HA ALA 14 1.972 -6.492 -1.173 113 1HB ALA 14 1HB ALA 14 4.294 -5.097 -2.502 114 2HB ALA 14 2HB ALA 14 2.707 -4.393 -2.188 115 3HB ALA 14 3HB ALA 14 2.866 -5.741 -3.316 116 H VAL 15 H VAL 15 5.480 -6.812 -0.875 117 HA VAL 15 HA VAL 15 5.724 -9.178 -2.402 118 HB VAL 15 HB VAL 15 7.499 -8.258 -0.125 119 1HG1 VAL 15 1HG1 VAL 15 9.227 -9.605 -1.160 120 2HG1 VAL 15 2HG1 VAL 15 8.111 -10.103 -2.430 121 3HG1 VAL 15 3HG1 VAL 15 7.833 -10.613 -0.765 122 1HG2 VAL 15 1HG2 VAL 15 7.675 -7.699 -3.079 123 2HG2 VAL 15 2HG2 VAL 15 8.879 -7.241 -1.872 124 3HG2 VAL 15 3HG2 VAL 15 7.261 -6.535 -1.819 125 H ALA 16 H ALA 16 5.102 -8.581 1.013 126 HA ALA 16 HA ALA 16 5.244 -11.256 1.895 127 1HB ALA 16 1HB ALA 16 5.316 -9.321 3.414 128 2HB ALA 16 2HB ALA 16 4.076 -10.486 3.879 129 3HB ALA 16 3HB ALA 16 3.621 -8.993 3.060 130 H LEU 17 H LEU 17 2.639 -9.338 0.517 131 HA LEU 17 HA LEU 17 0.530 -11.172 0.922 132 1HB LEU 17 2HB LEU 17 0.805 -8.666 -0.232 133 2HB LEU 17 1HB LEU 17 0.422 -9.685 -1.603 134 HG LEU 17 HG LEU 17 -1.661 -8.927 -0.946 135 1HD1 LEU 17 1HD1 LEU 17 -1.708 -11.348 -1.115 136 2HD1 LEU 17 2HD1 LEU 17 -2.853 -10.779 0.100 137 3HD1 LEU 17 3HD1 LEU 17 -1.319 -11.490 0.600 138 1HD2 LEU 17 1HD2 LEU 17 -0.937 -7.792 1.081 139 2HD2 LEU 17 2HD2 LEU 17 -0.882 -9.335 1.935 140 3HD2 LEU 17 3HD2 LEU 17 -2.422 -8.702 1.347 141 H TYR 18 H TYR 18 2.998 -10.862 -1.581 142 HA TYR 18 HA TYR 18 1.870 -12.746 -3.382 143 1HB TYR 18 2HB TYR 18 3.542 -11.003 -4.017 144 2HB TYR 18 1HB TYR 18 4.770 -11.911 -3.143 145 HD1 TYR 18 1HD TYR 18 6.060 -13.438 -4.312 146 HD2 TYR 18 2HD TYR 18 2.243 -12.367 -5.857 147 HE1 TYR 18 1HE TYR 18 6.508 -14.770 -6.328 148 HE2 TYR 18 2HE TYR 18 2.676 -13.703 -7.873 149 HH TYR 18 HH TYR 18 5.217 -15.918 -8.102 150 H GLU 19 H GLU 19 3.759 -13.048 -0.511 151 HA GLU 19 HA GLU 19 4.695 -15.696 -0.925 152 1HB GLU 19 2HB GLU 19 4.160 -14.121 1.596 153 2HB GLU 19 1HB GLU 19 4.877 -15.727 1.593 154 1HG GLU 19 2HG GLU 19 6.027 -13.311 0.213 155 2HG GLU 19 1HG GLU 19 6.546 -13.935 1.781 156 H ASN 20 H ASN 20 1.648 -14.369 -0.276 157 HA ASN 20 HA ASN 20 0.518 -16.909 0.669 158 1HB ASN 20 2HB ASN 20 -0.518 -14.065 0.649 159 2HB ASN 20 1HB ASN 20 -1.518 -15.438 1.089 160 1HD2 ASN 20 1HD2 ASN 20 1.130 -13.387 2.047 161 2HD2 ASN 20 2HD2 ASN 20 1.194 -13.914 3.693 162 H SER 21 H SER 21 1.396 -16.578 -2.035 163 HA SER 21 HA SER 21 -0.494 -15.494 -3.767 164 1HB SER 21 2HB SER 21 0.685 -16.731 -5.540 165 2HB SER 21 1HB SER 21 1.767 -15.812 -4.493 166 HG SER 21 HG SER 21 2.558 -17.638 -3.661 167 H ASP 22 H ASP 22 -0.390 -18.668 -2.348 168 HA ASP 22 HA ASP 22 -1.981 -20.018 -4.227 169 1HB ASP 22 2HB ASP 22 -0.761 -21.218 -2.480 170 2HB ASP 22 1HB ASP 22 -1.778 -20.479 -1.243 171 H GLY 23 H GLY 23 -2.745 -17.808 -1.676 172 1HA GLY 23 2HA GLY 23 -5.615 -18.118 -2.266 173 2HA GLY 23 1HA GLY 23 -4.958 -17.402 -0.801 174 H ALA 24 H ALA 24 -3.061 -16.288 -3.268 175 HA ALA 24 HA ALA 24 -4.805 -14.100 -4.060 176 1HB ALA 24 1HB ALA 24 -3.394 -12.353 -3.163 177 2HB ALA 24 2HB ALA 24 -2.284 -13.550 -2.498 178 3HB ALA 24 3HB ALA 24 -3.920 -13.413 -1.854 179 H SER 25 H SER 25 -4.509 -14.299 -6.184 180 HA SER 25 HA SER 25 -2.101 -15.190 -7.400 181 1HB SER 25 2HB SER 25 -4.298 -15.551 -8.433 182 2HB SER 25 1HB SER 25 -4.521 -13.810 -8.598 183 HG SER 25 HG SER 25 -3.564 -15.306 -10.407 184 H LEU 26 H LEU 26 -0.725 -13.996 -8.836 185 HA LEU 26 HA LEU 26 0.247 -11.559 -7.881 186 1HB LEU 26 2HB LEU 26 1.535 -13.111 -9.300 187 2HB LEU 26 1HB LEU 26 0.501 -12.729 -10.659 188 HG LEU 26 HG LEU 26 1.298 -10.374 -10.555 189 1HD1 LEU 26 1HD1 LEU 26 3.233 -11.467 -8.520 190 2HD1 LEU 26 2HD1 LEU 26 1.952 -10.292 -8.218 191 3HD1 LEU 26 3HD1 LEU 26 3.310 -9.869 -9.261 192 1HD2 LEU 26 1HD2 LEU 26 3.470 -12.441 -10.862 193 2HD2 LEU 26 2HD2 LEU 26 3.478 -10.809 -11.531 194 3HD2 LEU 26 3HD2 LEU 26 2.295 -11.988 -12.097 195 H GLN 27 H GLN 27 -1.997 -12.289 -10.495 196 HA GLN 27 HA GLN 27 -2.442 -9.696 -11.462 197 1HB GLN 27 2HB GLN 27 -3.332 -11.717 -12.560 198 2HB GLN 27 1HB GLN 27 -4.411 -11.990 -11.202 199 1HG GLN 27 2HG GLN 27 -5.730 -11.019 -12.881 200 2HG GLN 27 1HG GLN 27 -5.429 -9.742 -11.709 201 1HE2 GLN 27 1HE2 GLN 27 -3.105 -10.901 -14.086 202 2HE2 GLN 27 2HE2 GLN 27 -3.068 -9.445 -15.016 203 H GLN 28 H GLN 28 -3.907 -11.453 -8.759 204 HA GLN 28 HA GLN 28 -5.976 -9.597 -8.248 205 1HB GLN 28 2HB GLN 28 -5.907 -12.020 -7.541 206 2HB GLN 28 1HB GLN 28 -4.769 -11.558 -6.287 207 1HG GLN 28 2HG GLN 28 -7.478 -10.293 -6.502 208 2HG GLN 28 1HG GLN 28 -7.231 -11.822 -5.665 209 1HE2 GLN 28 1HE2 GLN 28 -8.116 -9.236 -4.639 210 2HE2 GLN 28 2HE2 GLN 28 -7.004 -8.814 -3.388 211 H ILE 29 H ILE 29 -2.737 -10.019 -6.863 212 HA ILE 29 HA ILE 29 -2.934 -8.149 -4.793 213 HB ILE 29 HB ILE 29 -0.444 -8.684 -6.420 214 1HG1 ILE 29 2HG1 ILE 29 -1.413 -10.807 -5.696 215 2HG1 ILE 29 1HG1 ILE 29 0.048 -10.457 -4.774 216 1HG2 ILE 29 1HG2 ILE 29 -0.251 -6.781 -4.909 217 2HG2 ILE 29 2HG2 ILE 29 0.735 -8.127 -4.341 218 3HG2 ILE 29 3HG2 ILE 29 -0.808 -7.778 -3.565 219 1HD1 ILE 29 1HD1 ILE 29 -2.772 -10.016 -3.819 220 2HD1 ILE 29 2HD1 ILE 29 -1.298 -9.726 -2.895 221 3HD1 ILE 29 3HD1 ILE 29 -1.727 -11.367 -3.377 222 H ALA 30 H ALA 30 -1.805 -7.702 -8.133 223 HA ALA 30 HA ALA 30 -1.432 -4.891 -7.884 224 1HB ALA 30 1HB ALA 30 -0.266 -6.204 -9.588 225 2HB ALA 30 2HB ALA 30 -1.201 -4.896 -10.313 226 3HB ALA 30 3HB ALA 30 -1.805 -6.553 -10.377 227 H ASN 31 H ASN 31 -4.098 -6.945 -8.755 228 HA ASN 31 HA ASN 31 -5.749 -4.992 -9.976 229 1HB ASN 31 2HB ASN 31 -5.958 -7.529 -10.117 230 2HB ASN 31 1HB ASN 31 -6.708 -7.465 -8.530 231 1HD2 ASN 31 1HD2 ASN 31 -7.093 -6.917 -11.893 232 2HD2 ASN 31 2HD2 ASN 31 -8.772 -6.507 -11.854 233 H ASP 32 H ASP 32 -5.547 -6.230 -6.649 234 HA ASP 32 HA ASP 32 -7.775 -4.844 -5.622 235 1HB ASP 32 2HB ASP 32 -6.579 -6.732 -4.464 236 2HB ASP 32 1HB ASP 32 -5.274 -5.613 -4.097 237 H LEU 33 H LEU 33 -4.348 -3.997 -5.744 238 HA LEU 33 HA LEU 33 -4.725 -1.505 -4.384 239 1HB LEU 33 2HB LEU 33 -2.414 -2.854 -5.728 240 2HB LEU 33 1HB LEU 33 -2.304 -1.157 -5.314 241 HG LEU 33 HG LEU 33 -2.723 -1.732 -2.939 242 1HD1 LEU 33 1HD1 LEU 33 -2.537 -4.072 -2.228 243 2HD1 LEU 33 2HD1 LEU 33 -2.553 -4.579 -3.918 244 3HD1 LEU 33 3HD1 LEU 33 -3.968 -3.791 -3.220 245 1HD2 LEU 33 1HD2 LEU 33 -0.526 -2.722 -2.521 246 2HD2 LEU 33 2HD2 LEU 33 -0.452 -1.468 -3.758 247 3HD2 LEU 33 3HD2 LEU 33 -0.402 -3.168 -4.223 248 H GLY 34 H GLY 34 -4.884 -2.561 -7.659 249 1HA GLY 34 2HA GLY 34 -5.626 -1.384 -9.514 250 2HA GLY 34 1HA GLY 34 -5.665 0.076 -8.532 251 H ILE 35 H ILE 35 -2.875 -2.006 -8.856 252 HA ILE 35 HA ILE 35 -1.487 0.197 -10.231 253 HB ILE 35 HB ILE 35 0.604 -0.664 -9.235 254 1HG1 ILE 35 2HG1 ILE 35 -1.225 -2.449 -7.615 255 2HG1 ILE 35 1HG1 ILE 35 -0.167 -3.000 -8.906 256 1HG2 ILE 35 1HG2 ILE 35 0.209 0.162 -6.971 257 2HG2 ILE 35 2HG2 ILE 35 -1.532 0.014 -7.217 258 3HG2 ILE 35 3HG2 ILE 35 -0.602 1.171 -8.169 259 1HD1 ILE 35 1HD1 ILE 35 0.717 -1.735 -6.325 260 2HD1 ILE 35 2HD1 ILE 35 1.780 -2.284 -7.621 261 3HD1 ILE 35 3HD1 ILE 35 0.801 -3.448 -6.730 262 H ASN 36 H ASN 36 0.485 -0.600 -11.479 263 HA ASN 36 HA ASN 36 -0.361 -2.401 -13.471 264 1HB ASN 36 2HB ASN 36 1.281 -0.457 -13.646 265 2HB ASN 36 1HB ASN 36 2.480 -1.538 -12.956 266 1HD2 ASN 36 1HD2 ASN 36 2.200 -0.195 -15.561 267 2HD2 ASN 36 2HD2 ASN 36 2.372 -1.439 -16.740 268 H ARG 37 H ARG 37 0.276 -4.440 -13.950 269 HA ARG 37 HA ARG 37 0.850 -6.211 -11.805 270 1HB ARG 37 2HB ARG 37 -0.497 -6.745 -13.864 271 2HB ARG 37 1HB ARG 37 0.994 -6.756 -14.778 272 1HG ARG 37 2HG ARG 37 1.768 -8.550 -13.107 273 2HG ARG 37 1HG ARG 37 0.055 -8.690 -12.707 274 1HD ARG 37 2HD ARG 37 1.385 -9.165 -15.369 275 2HD ARG 37 1HD ARG 37 0.507 -10.323 -14.372 276 HE ARG 37 HE ARG 37 -1.215 -8.215 -15.072 277 1HH1 ARG 37 1HH1 ARG 37 0.438 -10.935 -16.523 278 2HH1 ARG 37 2HH1 ARG 37 -0.746 -11.162 -17.769 279 1HH2 ARG 37 1HH2 ARG 37 -2.765 -8.461 -16.737 280 2HH2 ARG 37 2HH2 ARG 37 -2.570 -9.745 -17.905 281 H VAL 38 H VAL 38 2.716 -4.775 -14.412 282 HA VAL 38 HA VAL 38 5.047 -6.363 -14.081 283 HB VAL 38 HB VAL 38 4.841 -3.587 -15.274 284 1HG1 VAL 38 1HG1 VAL 38 6.909 -5.757 -15.620 285 2HG1 VAL 38 2HG1 VAL 38 7.132 -4.220 -14.785 286 3HG1 VAL 38 3HG1 VAL 38 6.854 -4.243 -16.526 287 1HG2 VAL 38 1HG2 VAL 38 4.626 -4.739 -17.433 288 2HG2 VAL 38 2HG2 VAL 38 3.278 -5.097 -16.353 289 3HG2 VAL 38 3HG2 VAL 38 4.558 -6.286 -16.587 290 H THR 39 H THR 39 4.113 -3.146 -12.910 291 HA THR 39 HA THR 39 6.542 -2.495 -11.665 292 HB THR 39 HB THR 39 3.791 -1.581 -10.800 293 HG1 THR 39 1HG THR 39 5.335 -1.010 -13.078 294 1HG2 THR 39 1HG2 THR 39 4.990 0.485 -10.180 295 2HG2 THR 39 2HG2 THR 39 6.514 -0.275 -10.641 296 3HG2 THR 39 3HG2 THR 39 5.585 -0.916 -9.287 297 H LEU 40 H LEU 40 3.692 -4.223 -10.505 298 HA LEU 40 HA LEU 40 4.432 -4.464 -7.804 299 1HB LEU 40 2HB LEU 40 2.182 -4.958 -8.593 300 2HB LEU 40 1HB LEU 40 2.786 -6.305 -9.538 301 HG LEU 40 HG LEU 40 3.509 -7.386 -7.392 302 1HD1 LEU 40 1HD1 LEU 40 2.471 -6.580 -5.323 303 2HD1 LEU 40 2HD1 LEU 40 1.880 -5.160 -6.183 304 3HD1 LEU 40 3HD1 LEU 40 3.613 -5.416 -5.990 305 1HD2 LEU 40 1HD2 LEU 40 1.276 -8.144 -6.811 306 2HD2 LEU 40 2HD2 LEU 40 1.470 -8.027 -8.562 307 3HD2 LEU 40 3HD2 LEU 40 0.573 -6.783 -7.688 308 H LYS 41 H LYS 41 4.979 -6.613 -10.569 309 HA LYS 41 HA LYS 41 6.288 -8.680 -9.215 310 1HB LYS 41 2HB LYS 41 5.451 -8.716 -11.590 311 2HB LYS 41 1HB LYS 41 6.853 -7.761 -12.037 312 1HG LYS 41 2HG LYS 41 8.310 -9.568 -11.188 313 2HG LYS 41 1HG LYS 41 6.870 -10.537 -10.878 314 1HD LYS 41 2HD LYS 41 6.308 -10.483 -13.255 315 2HD LYS 41 1HD LYS 41 7.719 -9.474 -13.575 316 1HE LYS 41 2HE LYS 41 9.151 -11.304 -12.685 317 2HE LYS 41 1HE LYS 41 7.710 -12.307 -12.546 318 1HZ LYS 41 1HZ LYS 41 8.999 -12.710 -14.591 319 2HZ LYS 41 2HZ LYS 41 8.686 -11.122 -15.092 320 3HZ LYS 41 3HZ LYS 41 7.406 -12.220 -14.910 321 H ASN 42 H ASN 42 7.499 -5.744 -10.706 322 HA ASN 42 HA ASN 42 10.235 -6.177 -10.446 323 1HB ASN 42 2HB ASN 42 8.644 -3.616 -10.443 324 2HB ASN 42 1HB ASN 42 10.402 -3.647 -10.434 325 1HD2 ASN 42 1HD2 ASN 42 8.573 -2.603 -12.438 326 2HD2 ASN 42 2HD2 ASN 42 8.954 -3.425 -13.905 327 H TRP 43 H TRP 43 7.943 -4.863 -8.079 328 HA TRP 43 HA TRP 43 9.840 -4.128 -6.127 329 1HB TRP 43 2HB TRP 43 6.948 -4.958 -5.883 330 2HB TRP 43 1HB TRP 43 7.905 -4.455 -4.496 331 HD1 TRP 43 HD TRP 43 9.201 -2.230 -6.925 332 HE1 TRP 43 1HE TRP 43 7.936 0.009 -7.000 333 HE3 TRP 43 3HE TRP 43 4.959 -3.591 -4.406 334 HZ2 TRP 43 2HZ TRP 43 5.477 1.050 -6.140 335 HZ3 TRP 43 3HZ TRP 43 3.189 -1.912 -4.097 336 HH2 TRP 43 HH TRP 43 3.442 0.366 -4.945 337 H ILE 44 H ILE 44 8.050 -7.119 -6.662 338 HA ILE 44 HA ILE 44 8.938 -8.523 -4.403 339 HB ILE 44 HB ILE 44 8.210 -9.688 -7.102 340 1HG1 ILE 44 2HG1 ILE 44 6.401 -9.145 -4.740 341 2HG1 ILE 44 1HG1 ILE 44 6.512 -8.100 -6.148 342 1HG2 ILE 44 1HG2 ILE 44 8.156 -10.867 -4.327 343 2HG2 ILE 44 2HG2 ILE 44 9.258 -11.305 -5.632 344 3HG2 ILE 44 3HG2 ILE 44 7.536 -11.656 -5.780 345 1HD1 ILE 44 1HD1 ILE 44 5.734 -9.933 -7.564 346 2HD1 ILE 44 2HD1 ILE 44 4.577 -9.546 -6.289 347 3HD1 ILE 44 3HD1 ILE 44 5.613 -10.966 -6.140 348 H ILE 45 H ILE 45 10.232 -8.353 -7.691 349 HA ILE 45 HA ILE 45 12.293 -10.278 -7.280 350 HB ILE 45 HB ILE 45 12.060 -8.163 -9.434 351 1HG1 ILE 45 2HG1 ILE 45 11.260 -11.088 -9.447 352 2HG1 ILE 45 1HG1 ILE 45 10.144 -9.727 -9.352 353 1HG2 ILE 45 1HG2 ILE 45 14.339 -9.004 -9.202 354 2HG2 ILE 45 2HG2 ILE 45 13.613 -9.574 -10.705 355 3HG2 ILE 45 3HG2 ILE 45 13.751 -10.663 -9.324 356 1HD1 ILE 45 1HD1 ILE 45 11.988 -10.326 -11.652 357 2HD1 ILE 45 2HD1 ILE 45 10.828 -9.000 -11.565 358 3HD1 ILE 45 3HD1 ILE 45 10.259 -10.671 -11.593 359 H LYS 46 H LYS 46 12.072 -6.807 -6.882 360 HA LYS 46 HA LYS 46 14.929 -6.432 -6.796 361 1HB LYS 46 2HB LYS 46 13.371 -4.680 -7.618 362 2HB LYS 46 1HB LYS 46 12.721 -4.528 -5.993 363 1HG LYS 46 2HG LYS 46 14.913 -3.806 -5.184 364 2HG LYS 46 1HG LYS 46 15.558 -3.944 -6.822 365 1HD LYS 46 2HD LYS 46 13.818 -2.309 -7.552 366 2HD LYS 46 1HD LYS 46 13.400 -2.079 -5.854 367 1HE LYS 46 2HE LYS 46 14.912 -0.333 -6.553 368 2HE LYS 46 1HE LYS 46 15.723 -1.393 -5.402 369 1HZ LYS 46 1HZ LYS 46 16.740 -2.541 -7.337 370 2HZ LYS 46 2HZ LYS 46 17.215 -0.921 -7.180 371 3HZ LYS 46 3HZ LYS 46 16.070 -1.356 -8.352 372 H TYR 47 H TYR 47 12.310 -6.645 -4.421 373 HA TYR 47 HA TYR 47 14.223 -6.013 -2.310 374 1HB TYR 47 2HB TYR 47 11.206 -6.096 -2.286 375 2HB TYR 47 1HB TYR 47 12.203 -5.721 -0.885 376 HD1 TYR 47 1HD TYR 47 13.664 -3.678 -0.941 377 HD2 TYR 47 2HD TYR 47 10.717 -4.443 -3.907 378 HE1 TYR 47 1HE TYR 47 13.747 -1.318 -1.626 379 HE2 TYR 47 2HE TYR 47 10.791 -2.088 -4.601 380 HH TYR 47 HH TYR 47 13.224 0.081 -3.497 381 H GLY 48 H GLY 48 12.052 -8.696 -3.256 382 1HA GLY 48 2HA GLY 48 13.347 -10.244 -1.101 383 2HA GLY 48 1HA GLY 48 11.596 -10.180 -1.158 384 H SER 49 H SER 49 14.033 -10.599 -3.723 385 HA SER 49 HA SER 49 12.481 -12.839 -4.725 386 1HB SER 49 2HB SER 49 14.138 -12.743 -6.623 387 2HB SER 49 1HB SER 49 13.191 -11.274 -6.387 388 HG SER 49 HG SER 49 14.986 -10.241 -6.090 389 H ASN 50 H ASN 50 15.876 -12.239 -3.845 390 HA ASN 50 HA ASN 50 16.398 -15.111 -4.034 391 1HB ASN 50 2HB ASN 50 17.817 -13.355 -5.211 392 2HB ASN 50 1HB ASN 50 18.413 -12.897 -3.621 393 1HD2 ASN 50 1HD2 ASN 50 19.851 -14.249 -2.561 394 2HD2 ASN 50 2HD2 ASN 50 20.604 -15.601 -3.332 395 H HIS 51 H HIS 51 16.085 -12.579 -1.710 396 HA HIS 51 HA HIS 51 16.693 -14.533 0.402 397 1HB HIS 51 2HB HIS 51 17.584 -11.651 0.298 398 2HB HIS 51 1HB HIS 51 17.516 -12.567 1.799 399 HD1 HIS 51 1HD HIS 51 19.053 -14.819 1.794 400 HD2 HIS 51 2HD HIS 51 19.905 -11.937 -1.086 401 HE1 HIS 51 1HE HIS 51 21.389 -15.324 0.994 402 HE2 HIS 51 2HE HIS 51 21.907 -13.543 -0.716 403 H ASN 52 H ASN 52 14.887 -14.924 1.464 404 HA ASN 52 HA ASN 52 12.712 -13.042 1.450 405 1HB ASN 52 2HB ASN 52 13.030 -15.831 2.552 406 2HB ASN 52 1HB ASN 52 11.583 -14.869 2.804 407 1HD2 ASN 52 1HD2 ASN 52 10.196 -14.486 1.097 408 2HD2 ASN 52 2HD2 ASN 52 10.304 -15.341 -0.403 409 H VAL 53 H VAL 53 14.065 -11.462 2.615 410 HA VAL 53 HA VAL 53 14.497 -11.895 5.437 411 HB VAL 53 HB VAL 53 14.631 -9.313 3.856 412 1HG1 VAL 53 1HG1 VAL 53 16.044 -8.515 5.708 413 2HG1 VAL 53 2HG1 VAL 53 15.748 -10.025 6.572 414 3HG1 VAL 53 3HG1 VAL 53 14.413 -8.919 6.250 415 1HG2 VAL 53 1HG2 VAL 53 16.842 -11.233 4.594 416 2HG2 VAL 53 2HG2 VAL 53 17.048 -9.683 3.779 417 3HG2 VAL 53 3HG2 VAL 53 16.180 -10.991 2.976 418 H GLN 54 H GLN 54 12.087 -10.568 3.356 419 HA GLN 54 HA GLN 54 10.554 -9.282 5.398 420 1HB GLN 54 2HB GLN 54 9.841 -10.147 2.588 421 2HB GLN 54 1HB GLN 54 8.766 -9.235 3.636 422 1HG GLN 54 2HG GLN 54 9.775 -7.706 2.135 423 2HG GLN 54 1HG GLN 54 10.492 -7.437 3.719 424 1HE2 GLN 54 1HE2 GLN 54 12.333 -6.482 2.885 425 2HE2 GLN 54 2HE2 GLN 54 13.554 -7.366 2.032 426 H GLY 55 H GLY 55 9.422 -10.322 6.901 427 1HA GLY 55 2HA GLY 55 8.808 -13.128 6.645 428 2HA GLY 55 1HA GLY 55 8.426 -12.093 8.016 429 H THR 56 H THR 56 6.281 -12.458 8.319 430 HA THR 56 HA THR 56 4.534 -11.603 6.136 431 HB THR 56 HB THR 56 2.948 -13.510 6.741 432 HG1 THR 56 1HG THR 56 5.291 -14.905 7.516 433 1HG2 THR 56 1HG2 THR 56 5.530 -14.139 5.312 434 2HG2 THR 56 2HG2 THR 56 4.085 -13.425 4.598 435 3HG2 THR 56 3HG2 THR 56 4.051 -15.085 5.195 436 H THR 57 H THR 57 4.126 -9.773 7.282 437 HA THR 57 HA THR 57 1.942 -10.134 9.182 438 HB THR 57 HB THR 57 2.705 -7.963 10.321 439 HG1 THR 57 1HG THR 57 4.668 -7.225 9.936 440 1HG2 THR 57 1HG2 THR 57 2.763 -10.126 11.455 441 2HG2 THR 57 2HG2 THR 57 4.157 -9.143 11.905 442 3HG2 THR 57 3HG2 THR 57 4.346 -10.463 10.751 443 HA PRO 58 HA PRO 58 1.001 -7.721 5.415 444 1HB PRO 58 2HB PRO 58 -1.571 -8.554 5.171 445 2HB PRO 58 1HB PRO 58 -0.188 -9.488 4.591 446 1HG PRO 58 2HG PRO 58 -1.780 -9.816 7.100 447 2HG PRO 58 1HG PRO 58 -1.136 -11.055 6.008 448 1HD PRO 58 2HD PRO 58 0.049 -10.389 8.365 449 2HD PRO 58 1HD PRO 58 0.950 -10.990 6.958 450 H SER 59 H SER 59 0.821 -5.652 5.828 451 HA SER 59 HA SER 59 -0.943 -4.563 7.817 452 1HB SER 59 2HB SER 59 0.433 -3.017 5.620 453 2HB SER 59 1HB SER 59 0.012 -2.469 7.244 454 HG SER 59 HG SER 59 2.065 -4.252 6.445 455 H ALA 60 H ALA 60 -0.937 -5.046 4.350 456 HA ALA 60 HA ALA 60 -3.207 -3.414 3.801 457 1HB ALA 60 1HB ALA 60 -2.059 -5.685 2.189 458 2HB ALA 60 2HB ALA 60 -1.565 -3.994 2.089 459 3HB ALA 60 3HB ALA 60 -3.196 -4.466 1.612 460 H ALA 61 H ALA 61 -2.842 -6.548 5.127 461 HA ALA 61 HA ALA 61 -5.495 -7.408 4.293 462 1HB ALA 61 1HB ALA 61 -4.947 -9.543 5.310 463 2HB ALA 61 2HB ALA 61 -3.462 -8.859 5.975 464 3HB ALA 61 3HB ALA 61 -3.652 -9.024 4.230 465 H VAL 62 H VAL 62 -4.297 -5.512 6.677 466 HA VAL 62 HA VAL 62 -5.701 -6.409 8.964 467 HB VAL 62 HB VAL 62 -4.827 -3.601 8.253 468 1HG1 VAL 62 1HG1 VAL 62 -6.551 -3.577 9.985 469 2HG1 VAL 62 2HG1 VAL 62 -4.982 -3.134 10.657 470 3HG1 VAL 62 3HG1 VAL 62 -5.632 -4.751 10.927 471 1HG2 VAL 62 1HG2 VAL 62 -3.486 -5.686 9.973 472 2HG2 VAL 62 2HG2 VAL 62 -2.897 -4.052 9.667 473 3HG2 VAL 62 3HG2 VAL 62 -2.986 -5.221 8.349 474 H SER 63 H SER 63 -6.593 -4.555 6.175 475 HA SER 63 HA SER 63 -8.981 -3.399 7.037 476 1HB SER 63 2HB SER 63 -8.444 -4.477 4.264 477 2HB SER 63 1HB SER 63 -9.507 -3.146 4.712 478 HG SER 63 HG SER 63 -7.599 -2.033 5.459 479 H GLU 64 H GLU 64 -8.256 -6.650 5.919 480 HA GLU 64 HA GLU 64 -11.006 -7.440 5.712 481 1HB GLU 64 2HB GLU 64 -9.246 -8.470 4.323 482 2HB GLU 64 1HB GLU 64 -8.506 -9.135 5.773 483 1HG GLU 64 2HG GLU 64 -10.432 -10.524 6.175 484 2HG GLU 64 1HG GLU 64 -11.287 -9.783 4.822 485 H ALA 65 H ALA 65 -8.581 -7.432 8.162 486 HA ALA 65 HA ALA 65 -9.597 -9.410 9.883 487 1HB ALA 65 1HB ALA 65 -8.251 -8.382 11.617 488 2HB ALA 65 2HB ALA 65 -8.083 -6.918 10.649 489 3HB ALA 65 3HB ALA 65 -7.358 -8.425 10.096 490 H GLU 66 H GLU 66 -10.636 -6.209 9.188 491 HA GLU 66 HA GLU 66 -12.050 -5.499 11.478 492 1HB GLU 66 2HB GLU 66 -11.634 -3.987 9.601 493 2HB GLU 66 1HB GLU 66 -12.684 -4.952 8.578 494 1HG GLU 66 2HG GLU 66 -14.557 -4.406 10.145 495 2HG GLU 66 1HG GLU 66 -13.465 -3.268 10.934 496 H GLN 67 H GLN 67 -13.227 -7.218 8.594 497 HA GLN 67 HA GLN 67 -15.767 -7.775 9.820 498 1HB GLN 67 2HB GLN 67 -16.198 -9.072 7.732 499 2HB GLN 67 1HB GLN 67 -15.729 -7.405 7.443 500 1HG GLN 67 2HG GLN 67 -13.380 -8.268 7.099 501 2HG GLN 67 1HG GLN 67 -14.082 -9.883 7.069 502 1HE2 GLN 67 1HE2 GLN 67 -13.840 -6.825 5.464 503 2HE2 GLN 67 2HE2 GLN 67 -14.429 -7.354 3.923 504 H ILE 68 H ILE 68 -12.739 -9.461 9.324 505 HA ILE 68 HA ILE 68 -13.639 -12.086 9.762 506 HB ILE 68 HB ILE 68 -10.925 -10.853 10.223 507 1HG1 ILE 68 2HG1 ILE 68 -11.646 -10.850 7.895 508 2HG1 ILE 68 1HG1 ILE 68 -10.353 -12.020 8.126 509 1HG2 ILE 68 1HG2 ILE 68 -10.031 -13.124 10.304 510 2HG2 ILE 68 2HG2 ILE 68 -11.669 -13.773 10.242 511 3HG2 ILE 68 3HG2 ILE 68 -11.150 -12.822 11.632 512 1HD1 ILE 68 1HD1 ILE 68 -11.969 -13.831 8.142 513 2HD1 ILE 68 2HD1 ILE 68 -12.114 -12.872 6.667 514 3HD1 ILE 68 3HD1 ILE 68 -13.286 -12.670 7.970 515 H ARG 69 H ARG 69 -12.591 -9.578 12.035 516 HA ARG 69 HA ARG 69 -12.343 -11.238 14.280 517 1HB ARG 69 2HB ARG 69 -12.442 -9.222 15.633 518 2HB ARG 69 1HB ARG 69 -11.455 -8.943 14.208 519 1HG ARG 69 2HG ARG 69 -12.658 -7.009 14.245 520 2HG ARG 69 1HG ARG 69 -13.715 -7.999 13.238 521 1HD ARG 69 2HD ARG 69 -14.956 -8.615 15.336 522 2HD ARG 69 1HD ARG 69 -14.005 -7.389 16.173 523 HE ARG 69 HE ARG 69 -15.078 -6.037 14.078 524 1HH1 ARG 69 1HH1 ARG 69 -16.427 -8.056 16.596 525 2HH1 ARG 69 2HH1 ARG 69 -17.955 -7.228 16.639 526 1HH2 ARG 69 1HH2 ARG 69 -17.074 -4.939 14.110 527 2HH2 ARG 69 2HH2 ARG 69 -18.336 -5.462 15.199 528 H GLN 70 H GLN 70 -15.171 -9.796 12.810 529 HA GLN 70 HA GLN 70 -16.926 -10.457 14.988 530 1HB GLN 70 2HB GLN 70 -17.122 -8.599 13.163 531 2HB GLN 70 1HB GLN 70 -17.806 -9.880 12.181 532 1HG GLN 70 2HG GLN 70 -18.944 -9.473 14.882 533 2HG GLN 70 1HG GLN 70 -19.270 -8.254 13.659 534 1HE2 GLN 70 1HE2 GLN 70 -21.463 -8.729 13.606 535 2HE2 GLN 70 2HE2 GLN 70 -22.081 -10.191 12.904 536 H LEU 71 H LEU 71 -16.341 -11.679 11.713 537 HA LEU 71 HA LEU 71 -18.354 -13.636 11.748 538 1HB LEU 71 2HB LEU 71 -16.042 -12.957 10.024 539 2HB LEU 71 1HB LEU 71 -16.724 -14.554 9.851 540 HG LEU 71 HG LEU 71 -18.924 -13.560 9.343 541 1HD1 LEU 71 1HD1 LEU 71 -18.699 -11.469 10.572 542 2HD1 LEU 71 2HD1 LEU 71 -19.104 -11.168 8.882 543 3HD1 LEU 71 3HD1 LEU 71 -17.451 -10.930 9.444 544 1HD2 LEU 71 1HD2 LEU 71 -17.424 -14.150 7.528 545 2HD2 LEU 71 2HD2 LEU 71 -16.657 -12.564 7.625 546 3HD2 LEU 71 3HD2 LEU 71 -18.342 -12.701 7.123 547 H LYS 72 H LYS 72 -14.959 -13.759 12.672 548 HA LYS 72 HA LYS 72 -14.863 -16.620 12.698 549 1HB LYS 72 2HB LYS 72 -12.882 -15.125 12.326 550 2HB LYS 72 1HB LYS 72 -12.947 -14.709 14.032 551 1HG LYS 72 2HG LYS 72 -12.370 -16.894 14.695 552 2HG LYS 72 1HG LYS 72 -12.675 -17.547 13.084 553 1HD LYS 72 2HD LYS 72 -10.786 -16.228 12.218 554 2HD LYS 72 1HD LYS 72 -10.465 -15.642 13.852 555 1HE LYS 72 2HE LYS 72 -9.900 -17.812 14.619 556 2HE LYS 72 1HE LYS 72 -10.525 -18.568 13.154 557 1HZ LYS 72 1HZ LYS 72 -8.741 -17.505 11.902 558 2HZ LYS 72 2HZ LYS 72 -8.128 -18.505 13.122 559 3HZ LYS 72 3HZ LYS 72 -8.127 -16.820 13.326 560 H LYS 73 H LYS 73 -15.943 -14.241 14.892 561 HA LYS 73 HA LYS 73 -17.035 -14.395 16.869 562 1HB LYS 73 2HB LYS 73 -18.016 -16.456 15.944 563 2HB LYS 73 1HB LYS 73 -16.668 -17.380 16.580 564 1HG LYS 73 2HG LYS 73 -17.332 -16.912 18.833 565 2HG LYS 73 1HG LYS 73 -18.583 -15.799 18.274 566 1HD LYS 73 2HD LYS 73 -19.843 -17.564 17.309 567 2HD LYS 73 1HD LYS 73 -18.520 -18.711 17.516 568 1HE LYS 73 2HE LYS 73 -19.996 -17.365 19.775 569 2HE LYS 73 1HE LYS 73 -20.348 -18.985 19.172 570 1HZ LYS 73 1HZ LYS 73 -17.768 -18.089 20.355 571 2HZ LYS 73 2HZ LYS 73 -18.082 -19.640 19.744 572 3HZ LYS 73 3HZ LYS 73 -18.921 -19.083 21.107 573 H GLU 74 H GLU 74 -16.381 -13.966 18.855 574 HA GLU 74 HA GLU 74 -14.990 -13.560 20.591 575 1HB GLU 74 2HB GLU 74 -14.045 -16.312 19.870 576 2HB GLU 74 1HB GLU 74 -13.179 -15.373 21.073 577 1HG GLU 74 2HG GLU 74 -14.597 -16.617 22.373 578 2HG GLU 74 1HG GLU 74 -15.510 -15.122 22.181 579 H ASN 75 H ASN 75 -12.648 -15.307 18.621 580 HA ASN 75 HA ASN 75 -10.645 -14.742 17.731 581 1HB ASN 75 2HB ASN 75 -12.407 -13.192 16.505 582 2HB ASN 75 1HB ASN 75 -11.553 -11.909 17.355 583 1HD2 ASN 75 1HD2 ASN 75 -11.765 -12.637 14.478 584 2HD2 ASN 75 2HD2 ASN 75 -10.132 -12.760 13.926 585 H ALA 76 H ALA 76 -9.297 -12.185 17.819 586 HA ALA 76 HA ALA 76 -7.928 -12.480 20.244 587 1HB ALA 76 1HB ALA 76 -6.883 -11.610 18.224 588 2HB ALA 76 2HB ALA 76 -6.682 -10.498 19.579 589 3HB ALA 76 3HB ALA 76 -7.878 -10.157 18.328 590 H LEU 77 H LEU 77 -10.821 -10.806 19.574 591 HA LEU 77 HA LEU 77 -10.672 -8.571 21.227 592 1HB LEU 77 2HB LEU 77 -13.064 -10.311 20.611 593 2HB LEU 77 1HB LEU 77 -13.127 -8.693 21.268 594 HG LEU 77 HG LEU 77 -12.051 -9.408 18.542 595 1HD1 LEU 77 1HD1 LEU 77 -14.077 -8.344 17.694 596 2HD1 LEU 77 2HD1 LEU 77 -14.648 -8.100 19.345 597 3HD1 LEU 77 3HD1 LEU 77 -14.465 -9.734 18.706 598 1HD2 LEU 77 1HD2 LEU 77 -10.967 -7.433 19.460 599 2HD2 LEU 77 2HD2 LEU 77 -12.536 -6.732 19.852 600 3HD2 LEU 77 3HD2 LEU 77 -12.077 -6.976 18.167 601 H GLN 78 H GLN 78 -11.466 -11.919 21.948 602 HA GLN 78 HA GLN 78 -12.444 -11.518 24.568 603 1HB GLN 78 2HB GLN 78 -12.730 -13.576 23.118 604 2HB GLN 78 1HB GLN 78 -11.069 -13.994 23.512 605 1HG GLN 78 2HG GLN 78 -12.479 -15.252 24.934 606 2HG GLN 78 1HG GLN 78 -11.725 -14.001 25.920 607 1HE2 GLN 78 1HE2 GLN 78 -12.981 -12.377 26.792 608 2HE2 GLN 78 2HE2 GLN 78 -14.713 -12.411 26.768 609 H ARG 79 H ARG 79 -9.215 -11.923 23.263 610 HA ARG 79 HA ARG 79 -8.061 -12.347 25.893 611 1HB ARG 79 2HB ARG 79 -7.268 -13.626 23.912 612 2HB ARG 79 1HB ARG 79 -6.699 -12.123 23.207 613 1HG ARG 79 2HG ARG 79 -5.106 -11.842 25.007 614 2HG ARG 79 1HG ARG 79 -5.703 -13.308 25.791 615 1HD ARG 79 2HD ARG 79 -5.016 -14.623 23.842 616 2HD ARG 79 1HD ARG 79 -4.423 -13.158 23.062 617 HE ARG 79 HE ARG 79 -3.222 -13.564 25.620 618 1HH1 ARG 79 1HH1 ARG 79 -3.106 -14.643 22.278 619 2HH1 ARG 79 2HH1 ARG 79 -1.416 -15.041 22.341 620 1HH2 ARG 79 1HH2 ARG 79 -1.016 -14.117 25.709 621 2HH2 ARG 79 2HH2 ARG 79 -0.234 -14.756 24.297 622 H ALA 80 H ALA 80 -8.510 -9.819 23.604 623 HA ALA 80 HA ALA 80 -6.479 -8.073 24.619 624 1HB ALA 80 1HB ALA 80 -8.879 -7.452 22.901 625 2HB ALA 80 2HB ALA 80 -7.270 -7.880 22.318 626 3HB ALA 80 3HB ALA 80 -7.517 -6.371 23.197 627 H ARG 81 H ARG 81 -9.768 -8.754 25.400 628 HA ARG 81 HA ARG 81 -10.454 -6.459 26.821 629 1HB ARG 81 2HB ARG 81 -11.857 -8.366 25.845 630 2HB ARG 81 1HB ARG 81 -11.425 -9.261 27.293 631 1HG ARG 81 2HG ARG 81 -12.342 -7.406 28.611 632 2HG ARG 81 1HG ARG 81 -12.942 -6.705 27.115 633 1HD ARG 81 2HD ARG 81 -14.229 -8.751 26.685 634 2HD ARG 81 1HD ARG 81 -13.645 -9.430 28.202 635 HE ARG 81 HE ARG 81 -15.203 -6.936 28.219 636 1HH1 ARG 81 1HH1 ARG 81 -14.824 -10.293 29.113 637 2HH1 ARG 81 2HH1 ARG 81 -16.202 -10.304 30.164 638 1HH2 ARG 81 1HH2 ARG 81 -17.038 -6.951 29.576 639 2HH2 ARG 81 2HH2 ARG 81 -17.468 -8.409 30.423 640 H THR 82 H THR 82 -8.509 -9.180 27.545 641 HA THR 82 HA THR 82 -8.910 -9.108 30.397 642 HB THR 82 HB THR 82 -6.848 -10.718 28.897 643 HG1 THR 82 1HG THR 82 -8.528 -12.321 28.786 644 1HG2 THR 82 1HG2 THR 82 -7.149 -12.298 30.752 645 2HG2 THR 82 2HG2 THR 82 -8.325 -11.210 31.491 646 3HG2 THR 82 3HG2 THR 82 -6.638 -10.717 31.343 647 H ARG 83 H ARG 83 -6.791 -7.565 28.201 648 HA ARG 83 HA ARG 83 -4.995 -6.868 30.417 649 1HB ARG 83 2HB ARG 83 -4.340 -7.368 27.523 650 2HB ARG 83 1HB ARG 83 -3.270 -6.475 28.585 651 1HG ARG 83 2HG ARG 83 -3.376 -8.521 30.116 652 2HG ARG 83 1HG ARG 83 -4.062 -9.355 28.720 653 1HD ARG 83 2HD ARG 83 -1.657 -9.710 28.824 654 2HD ARG 83 1HD ARG 83 -2.076 -8.758 27.401 655 HE ARG 83 HE ARG 83 -1.467 -7.010 29.508 656 1HH1 ARG 83 1HH1 ARG 83 0.153 -9.338 27.449 657 2HH1 ARG 83 2HH1 ARG 83 1.676 -8.496 27.483 658 1HH2 ARG 83 1HH2 ARG 83 0.541 -5.911 29.565 659 2HH2 ARG 83 2HH2 ARG 83 1.892 -6.541 28.670 660 H HIS 84 H HIS 84 -3.891 -4.791 30.165 661 HA HIS 84 HA HIS 84 -5.535 -2.804 28.737 662 1HB HIS 84 2HB HIS 84 -5.600 -2.528 31.180 663 2HB HIS 84 1HB HIS 84 -3.842 -2.478 31.231 664 HD1 HIS 84 1HD HIS 84 -2.734 -0.237 30.875 665 HD2 HIS 84 2HD HIS 84 -6.793 -0.200 29.952 666 HE1 HIS 84 1HE HIS 84 -3.325 2.179 30.499 667 HE2 HIS 84 2HE HIS 84 -5.759 2.172 29.836 668 HA PRO 85 HA PRO 85 -1.765 -2.382 26.339 669 1HB PRO 85 2HB PRO 85 -2.681 -0.501 24.625 670 2HB PRO 85 1HB PRO 85 -3.157 -2.200 24.508 671 1HG PRO 85 2HG PRO 85 -4.638 0.107 25.716 672 2HG PRO 85 1HG PRO 85 -5.248 -1.197 24.681 673 1HD PRO 85 2HD PRO 85 -5.545 -1.197 27.382 674 2HD PRO 85 1HD PRO 85 -5.401 -2.684 26.426 675 H ALA 86 H ALA 86 -0.423 -0.461 25.564 676 HA ALA 86 HA ALA 86 -0.471 1.659 27.610 677 1HB ALA 86 1HB ALA 86 1.384 0.116 27.970 678 2HB ALA 86 2HB ALA 86 1.959 1.720 27.520 679 3HB ALA 86 3HB ALA 86 1.965 0.419 26.328 680 H GLU 87 H GLU 87 -1.165 3.455 26.667 681 HA GLU 87 HA GLU 87 -0.936 3.936 23.866 682 1HB GLU 87 2HB GLU 87 -1.890 6.163 24.403 683 2HB GLU 87 1HB GLU 87 -2.819 4.834 25.077 684 1HG GLU 87 2HG GLU 87 -1.631 5.226 27.247 685 2HG GLU 87 1HG GLU 87 -0.949 6.685 26.530 686 H SER 88 H SER 88 1.020 4.666 26.606 687 HA SER 88 HA SER 88 2.505 6.823 25.576 688 1HB SER 88 2HB SER 88 4.234 5.986 27.273 689 2HB SER 88 1HB SER 88 2.638 6.405 27.905 690 HG SER 88 HG SER 88 3.478 4.363 28.672 691 H CYS 89 H CYS 89 2.829 3.344 25.260 692 HA CYS 89 HA CYS 89 5.309 3.562 23.779 693 1HB CYS 89 2HB CYS 89 4.878 1.679 25.360 694 2HB CYS 89 1HB CYS 89 3.586 1.131 24.299 695 HG CYS 89 HG CYS 89 5.168 0.319 22.249 696 H LEU 90 H LEU 90 1.934 3.346 23.192 697 HA LEU 90 HA LEU 90 2.028 2.379 20.521 698 1HB LEU 90 2HB LEU 90 -0.003 2.269 21.893 699 2HB LEU 90 1HB LEU 90 -0.087 4.020 21.920 700 HG LEU 90 HG LEU 90 -0.421 4.000 19.450 701 1HD1 LEU 90 1HD1 LEU 90 -1.008 1.886 18.366 702 2HD1 LEU 90 2HD1 LEU 90 -0.605 1.014 19.845 703 3HD1 LEU 90 3HD1 LEU 90 0.652 1.872 18.955 704 1HD2 LEU 90 1HD2 LEU 90 -2.324 4.144 20.969 705 2HD2 LEU 90 2HD2 LEU 90 -2.400 2.384 21.059 706 3HD2 LEU 90 3HD2 LEU 90 -2.737 3.203 19.534 707 H GLU 91 H GLU 91 1.855 5.610 21.946 708 HA GLU 91 HA GLU 91 1.781 7.029 19.497 709 1HB GLU 91 2HB GLU 91 1.049 8.027 21.606 710 2HB GLU 91 1HB GLU 91 2.684 7.922 22.244 711 1HG GLU 91 2HG GLU 91 3.468 9.526 20.631 712 2HG GLU 91 1HG GLU 91 1.895 9.552 19.838 713 H HIS 92 H HIS 92 4.354 5.712 21.426 714 HA HIS 92 HA HIS 92 6.549 5.345 21.004 715 1HB HIS 92 2HB HIS 92 5.981 4.764 18.726 716 2HB HIS 92 1HB HIS 92 5.885 6.460 18.271 717 HD1 HIS 92 1HD HIS 92 7.858 7.220 17.011 718 HD2 HIS 92 2HD HIS 92 8.815 4.188 19.701 719 HE1 HIS 92 1HE HIS 92 10.309 6.755 16.677 720 HE2 HIS 92 2HE HIS 92 10.811 4.777 18.154 721 H HIS 93 H HIS 93 7.386 6.678 22.504 722 HA HIS 93 HA HIS 93 7.994 9.432 21.686 723 1HB HIS 93 2HB HIS 93 7.797 8.128 24.396 724 2HB HIS 93 1HB HIS 93 8.618 9.670 24.174 725 HD1 HIS 93 1HD HIS 93 7.095 11.660 23.242 726 HD2 HIS 93 2HD HIS 93 5.063 8.277 24.550 727 HE1 HIS 93 1HE HIS 93 4.723 12.393 23.603 728 HE2 HIS 93 2HE HIS 93 3.473 10.264 24.080 729 H HIS 94 H HIS 94 10.152 10.194 22.768 730 HA HIS 94 HA HIS 94 12.169 8.540 21.546 731 1HB HIS 94 2HB HIS 94 12.201 11.297 22.740 732 2HB HIS 94 1HB HIS 94 13.696 10.471 22.309 733 HD1 HIS 94 1HD HIS 94 14.450 10.711 19.967 734 HD2 HIS 94 2HD HIS 94 10.410 11.604 20.397 735 HE1 HIS 94 1HE HIS 94 13.697 11.555 17.717 736 HE2 HIS 94 2HE HIS 94 11.288 12.227 18.040 737 H HIS 95 H HIS 95 12.280 6.758 22.852 738 HA HIS 95 HA HIS 95 14.323 6.947 24.809 739 1HB HIS 95 2HB HIS 95 13.184 6.027 26.736 740 2HB HIS 95 1HB HIS 95 12.370 7.506 26.257 741 HD1 HIS 95 1HD HIS 95 9.903 7.367 25.988 742 HD2 HIS 95 2HD HIS 95 11.709 3.620 25.976 743 HE1 HIS 95 1HE HIS 95 8.017 5.703 26.015 744 HE2 HIS 95 2HE HIS 95 9.151 3.469 26.293 745 H HIS 96 H HIS 96 15.180 4.855 25.335 746 HA HIS 96 HA HIS 96 14.904 3.070 23.126 747 1HB HIS 96 2HB HIS 96 16.711 1.842 24.035 748 2HB HIS 96 1HB HIS 96 17.048 3.519 24.422 749 HD1 HIS 96 1HD HIS 96 17.829 0.625 25.884 750 HD2 HIS 96 2HD HIS 96 15.458 3.747 27.272 751 HE1 HIS 96 1HE HIS 96 17.795 0.392 28.388 752 HE2 HIS 96 2HE HIS 96 16.146 2.133 29.169 753 H HIS 97 H HIS 97 13.851 1.173 22.963 754 HA HIS 97 HA HIS 97 12.318 0.289 25.319 755 1HB HIS 97 2HB HIS 97 10.853 1.317 23.629 756 2HB HIS 97 1HB HIS 97 11.467 0.203 22.414 757 HD1 HIS 97 1HD HIS 97 9.566 0.104 25.698 758 HD2 HIS 97 2HD HIS 97 10.043 -2.102 22.203 759 HE1 HIS 97 1HE HIS 97 7.884 -1.763 25.837 760 HE2 HIS 97 2HE HIS 97 8.039 -2.940 23.612
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