NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
566075 | 2m9r | 19309 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 1H ASP 1 24.039 23.085 -3.609 2 H2 ASP 1 2H ASP 1 22.391 23.229 -3.790 3 H3 ASP 1 3H ASP 1 23.029 22.670 -2.369 4 HA ASP 1 HA ASP 1 23.350 25.417 -3.432 5 HB2 ASP 1 1HB ASP 1 21.007 24.681 -2.608 6 HB3 ASP 1 2HB ASP 1 21.702 24.430 -1.004 7 H ALA 2 H ALA 2 25.200 26.332 -2.711 8 HA ALA 2 HA ALA 2 26.896 24.974 -0.594 9 HB1 ALA 2 1HB ALA 2 27.969 25.574 -2.767 10 HB2 ALA 2 2HB ALA 2 27.535 27.293 -2.536 11 HB3 ALA 2 3HB ALA 2 28.685 26.505 -1.436 12 H GLU 3 H GLU 3 27.104 25.747 1.392 13 HA GLU 3 HA GLU 3 25.764 28.338 2.236 14 HB2 GLU 3 1HB GLU 3 25.333 26.087 3.377 15 HB3 GLU 3 2HB GLU 3 26.993 26.107 3.961 16 HG2 GLU 3 1HG GLU 3 26.443 28.317 5.208 17 HG3 GLU 3 2HG GLU 3 24.778 28.176 4.633 18 H PHE 4 H PHE 4 27.010 30.086 2.171 19 HA PHE 4 HA PHE 4 30.045 29.950 2.333 20 HB2 PHE 4 1HB PHE 4 28.165 32.294 1.661 21 HB3 PHE 4 2HB PHE 4 29.885 32.462 1.823 22 HD1 PHE 4 HD2 PHE 4 31.468 31.519 0.133 23 HD2 PHE 4 HD1 PHE 4 27.216 31.059 -0.340 24 HE1 PHE 4 HE2 PHE 4 31.786 30.910 -2.232 25 HE2 PHE 4 HE1 PHE 4 27.551 30.453 -2.698 26 HZ PHE 4 HZ PHE 4 29.833 30.378 -3.651 27 H ARG 5 H ARG 5 31.044 30.199 4.216 28 HA ARG 5 HA ARG 5 29.913 32.043 6.347 29 HB2 ARG 5 1HB ARG 5 30.298 30.553 8.193 30 HB3 ARG 5 2HB ARG 5 29.143 29.871 7.068 31 HG2 ARG 5 2HG ARG 5 30.890 28.291 6.188 32 HG3 ARG 5 1HG ARG 5 32.105 28.970 7.262 33 HD2 ARG 5 2HD ARG 5 29.474 27.698 8.296 34 HD3 ARG 5 1HD ARG 5 30.871 26.726 7.966 35 HE ARG 5 HE ARG 5 30.648 28.842 10.187 36 HH11 ARG 5 2HH1 ARG 5 32.741 26.514 8.691 37 HH12 ARG 5 1HH1 ARG 5 33.807 26.440 10.180 38 HH21 ARG 5 1HH2 ARG 5 31.923 28.811 11.751 39 HH22 ARG 5 2HH2 ARG 5 33.310 27.644 11.855 40 H HIS 6 H HIS 6 31.354 33.109 7.594 41 HA HIS 6 HA HIS 6 34.325 32.918 6.855 42 HB2 HIS 6 2HB HIS 6 33.123 34.851 5.682 43 HB3 HIS 6 1HB HIS 6 32.736 35.535 7.248 44 HD2 HIS 6 HD2 HIS 6 34.782 36.722 8.627 45 HE1 HIS 6 HE1 HIS 6 37.652 36.455 5.609 46 HE2 HIS 6 HE2 HIS 6 37.199 37.586 7.885 47 H ASP 7 H ASP 7 35.290 32.265 8.634 48 HA ASP 7 HA ASP 7 34.597 33.466 11.375 49 HB2 ASP 7 1HB ASP 7 34.893 30.453 10.782 50 HB3 ASP 7 2HB ASP 7 34.997 31.144 12.390 51 H SER 8 H SER 8 37.122 31.412 9.791 52 HA SER 8 HA SER 8 39.230 33.110 11.250 53 HB2 SER 8 2HB SER 8 40.630 31.133 11.569 54 HB3 SER 8 1HB SER 8 39.064 30.877 12.325 55 HG SER 8 HG SER 8 39.695 29.983 9.683 56 H GLY 9 H GLY 9 40.680 34.026 9.973 57 HA2 GLY 9 1HA GLY 9 41.836 32.791 7.531 58 HA3 GLY 9 2HA GLY 9 40.666 34.016 7.060 59 H TYR 10 H TYR 10 41.050 36.194 7.789 60 HA TYR 10 HA TYR 10 43.895 36.871 8.700 61 HB2 TYR 10 2HB TYR 10 42.485 38.122 6.255 62 HB3 TYR 10 1HB TYR 10 43.841 38.860 7.055 63 HD1 TYR 10 HD1 TYR 10 46.142 37.886 6.913 64 HD2 TYR 10 HD2 TYR 10 42.833 36.015 4.899 65 HE1 TYR 10 HE1 TYR 10 47.700 36.536 5.576 66 HE2 TYR 10 HE2 TYR 10 44.406 34.676 3.569 67 HH TYR 10 HH TYR 10 46.539 34.243 3.130 68 H GLU 11 H GLU 11 43.651 37.930 10.529 69 HA GLU 11 HA GLU 11 41.506 40.091 10.788 70 HB2 GLU 11 1HB GLU 11 40.934 39.556 13.016 71 HB3 GLU 11 2HB GLU 11 40.602 38.210 11.954 72 HG2 GLU 11 1HG GLU 11 42.649 36.980 12.876 73 HG3 GLU 11 2HG GLU 11 42.955 38.336 13.964 74 H VAL 12 H VAL 12 42.968 41.575 10.170 75 HA VAL 12 HA VAL 12 44.917 42.475 12.330 76 HB VAL 12 HB VAL 12 46.578 43.298 10.685 77 HG11 VAL 12 1HG1 VAL 12 47.840 41.200 10.475 78 HG12 VAL 12 2HG1 VAL 12 46.365 40.227 10.707 79 HG13 VAL 12 3HG1 VAL 12 46.997 41.221 12.036 80 HG21 VAL 12 1HG2 VAL 12 45.335 43.188 8.501 81 HG22 VAL 12 2HG2 VAL 12 46.869 42.313 8.451 82 HG23 VAL 12 3HG2 VAL 12 45.342 41.407 8.578 83 H HIS 13 H HIS 13 44.005 44.246 13.042 84 HA HIS 13 HA HIS 13 42.386 46.050 11.232 85 HB2 HIS 13 1HB HIS 13 41.564 45.266 13.496 86 HB3 HIS 13 2HB HIS 13 42.807 46.221 14.276 87 HD2 HIS 13 HD2 HIS 13 39.496 46.582 12.239 88 HE1 HIS 13 HE1 HIS 13 40.300 50.320 13.910 89 HE2 HIS 13 HE2 HIS 13 38.486 49.027 12.609 90 H HIS 14 H HIS 14 45.082 46.757 13.537 91 HA HIS 14 HA HIS 14 45.800 49.220 11.868 92 HB2 HIS 14 2HB HIS 14 46.800 48.340 14.646 93 HB3 HIS 14 1HB HIS 14 47.451 49.692 13.755 94 HD2 HIS 14 HD2 HIS 14 44.354 48.708 15.816 95 HE1 HIS 14 HE1 HIS 14 43.893 52.737 14.845 96 HE2 HIS 14 HE2 HIS 14 42.874 50.867 16.305 97 H GLN 15 H GLN 15 47.263 48.973 10.335 98 HA GLN 15 HA GLN 15 49.221 46.636 10.278 99 HB2 GLN 15 1HB GLN 15 48.502 48.792 8.193 100 HB3 GLN 15 2HB GLN 15 49.805 47.668 7.960 101 HG2 GLN 15 2HG GLN 15 46.893 46.740 8.374 102 HG3 GLN 15 1HG GLN 15 47.595 47.072 6.812 103 HE21 GLN 15 2HE2 GLN 15 49.110 45.572 5.948 104 HE22 GLN 15 1HE2 GLN 15 49.298 43.909 6.715 105 H LYS 16 H LYS 16 51.250 46.909 11.040 106 HA LYS 16 HA LYS 16 52.386 49.677 11.606 107 HB2 LYS 16 2HB LYS 16 52.427 47.730 13.273 108 HB3 LYS 16 1HB LYS 16 53.552 46.914 12.210 109 HG2 LYS 16 2HG LYS 16 54.935 47.835 13.840 110 HG3 LYS 16 1HG LYS 16 55.155 48.955 12.510 111 HD2 LYS 16 1HD LYS 16 53.468 50.547 13.640 112 HD3 LYS 16 2HD LYS 16 53.284 49.383 14.953 113 HE2 LYS 16 1HE LYS 16 55.783 49.578 15.483 114 HE3 LYS 16 2HE LYS 16 55.969 50.745 14.173 115 HZ1 LYS 16 2HZ LYS 16 54.324 52.225 15.355 116 HZ2 LYS 16 3HZ LYS 16 54.169 51.143 16.575 117 HZ3 LYS 16 1HZ LYS 16 55.601 51.911 16.338 118 H LEU 17 H LEU 17 52.130 49.862 9.187 119 HA LEU 17 HA LEU 17 54.726 50.276 7.937 120 HB2 LEU 17 2HB LEU 17 54.681 48.894 5.977 121 HB3 LEU 17 1HB LEU 17 54.804 47.883 7.378 122 HG LEU 17 HG LEU 17 52.097 48.291 5.950 123 HD11 LEU 17 2HD1 LEU 17 54.216 46.143 5.252 124 HD12 LEU 17 3HD1 LEU 17 53.755 47.516 4.219 125 HD13 LEU 17 1HD1 LEU 17 52.571 46.252 4.586 126 HD21 LEU 17 1HD2 LEU 17 52.031 47.122 8.205 127 HD22 LEU 17 2HD2 LEU 17 51.570 46.028 6.894 128 HD23 LEU 17 3HD2 LEU 17 53.188 45.911 7.622 129 H VAL 18 H VAL 18 54.494 51.491 5.873 130 HA VAL 18 HA VAL 18 51.949 53.062 5.772 131 HB VAL 18 HB VAL 18 52.799 54.241 3.789 132 HG11 VAL 18 1HG1 VAL 18 54.285 55.744 5.045 133 HG12 VAL 18 2HG1 VAL 18 52.932 55.216 6.056 134 HG13 VAL 18 3HG1 VAL 18 54.545 54.503 6.299 135 HG21 VAL 18 1HG2 VAL 18 55.564 52.978 4.330 136 HG22 VAL 18 2HG2 VAL 18 54.555 52.666 2.896 137 HG23 VAL 18 3HG2 VAL 18 55.189 54.291 3.193 138 H PHE 19 H PHE 19 50.407 51.668 5.404 139 HA PHE 19 HA PHE 19 50.338 49.781 3.123 140 HB2 PHE 19 2HB PHE 19 49.411 49.430 5.488 141 HB3 PHE 19 1HB PHE 19 48.130 50.557 5.127 142 HD1 PHE 19 HD1 PHE 19 49.500 47.174 4.416 143 HD2 PHE 19 HD2 PHE 19 46.297 49.904 3.533 144 HE1 PHE 19 HE1 PHE 19 48.161 45.319 3.476 145 HE2 PHE 19 HE2 PHE 19 44.987 48.051 2.582 146 HZ PHE 19 HZ PHE 19 45.918 45.767 2.542 147 H PHE 20 H PHE 20 50.506 51.062 1.297 148 HA PHE 20 HA PHE 20 48.248 52.979 0.560 149 HB2 PHE 20 1HB PHE 20 50.783 52.216 -1.013 150 HB3 PHE 20 2HB PHE 20 49.541 53.276 -1.599 151 HD1 PHE 20 HD1 PHE 20 49.133 55.548 -0.555 152 HD2 PHE 20 HD2 PHE 20 52.428 53.056 0.649 153 HE1 PHE 20 HE1 PHE 20 50.256 57.499 0.445 154 HE2 PHE 20 HE2 PHE 20 53.557 55.028 1.595 155 HZ PHE 20 HZ PHE 20 52.466 57.241 1.526 156 H ALA 21 H ALA 21 46.440 51.889 0.031 157 HA ALA 21 HA ALA 21 46.480 49.329 -1.584 158 HB1 ALA 21 1HB ALA 21 44.136 51.012 -0.502 159 HB2 ALA 21 2HB ALA 21 44.900 49.613 0.305 160 HB3 ALA 21 3HB ALA 21 44.028 49.391 -1.225 161 H GLU 22 H GLU 22 47.786 50.634 -3.168 162 HA GLU 22 HA GLU 22 46.120 51.078 -5.592 163 HB2 GLU 22 1HB GLU 22 46.953 53.290 -6.232 164 HB3 GLU 22 2HB GLU 22 45.978 53.352 -4.783 165 HG2 GLU 22 2HG GLU 22 48.063 53.664 -3.373 166 HG3 GLU 22 1HG GLU 22 49.072 53.573 -4.820 167 H ASP 23 H ASP 23 47.251 50.800 -7.515 168 HA ASP 23 HA ASP 23 49.769 49.216 -7.320 169 HB2 ASP 23 2HB ASP 23 48.091 50.067 -9.755 170 HB3 ASP 23 1HB ASP 23 49.571 49.136 -9.873 171 H VAL 24 H VAL 24 51.480 50.366 -6.761 172 HA VAL 24 HA VAL 24 52.045 53.088 -7.840 173 HB VAL 24 HB VAL 24 52.344 52.535 -5.466 174 HG11 VAL 24 1HG2 VAL 24 54.354 51.434 -4.555 175 HG12 VAL 24 2HG2 VAL 24 54.969 51.068 -6.187 176 HG13 VAL 24 3HG2 VAL 24 53.496 50.276 -5.588 177 HG21 VAL 24 1HG1 VAL 24 53.425 54.563 -6.462 178 HG22 VAL 24 2HG1 VAL 24 54.922 53.640 -6.744 179 HG23 VAL 24 3HG1 VAL 24 54.338 53.922 -5.087 180 H GLY 25 H GLY 25 53.158 53.557 -9.557 181 HA2 GLY 25 1HA GLY 25 55.583 52.164 -10.594 182 HA3 GLY 25 2HA GLY 25 54.143 51.633 -11.457 183 H SER 26 H SER 26 56.547 53.937 -11.432 184 HA SER 26 HA SER 26 54.998 56.193 -12.655 185 HB2 SER 26 1HB SER 26 57.136 57.385 -12.728 186 HB3 SER 26 2HB SER 26 56.844 56.706 -11.128 187 HG SER 26 HG SER 26 58.977 56.323 -11.808 188 H ASN 27 H ASN 27 54.804 56.661 -14.747 189 HA ASN 27 HA ASN 27 55.795 54.724 -16.839 190 HB2 ASN 27 1HB ASN 27 54.317 55.752 -18.397 191 HB3 ASN 27 2HB ASN 27 53.464 55.295 -16.953 192 HD21 ASN 27 1HD2 ASN 27 52.686 57.077 -15.550 193 HD22 ASN 27 2HD2 ASN 27 52.465 58.726 -16.346 194 H LYS 28 H LYS 28 57.975 55.072 -16.753 195 HA LYS 28 HA LYS 28 59.192 57.747 -17.375 196 HB2 LYS 28 1HB LYS 28 60.486 54.982 -17.044 197 HB3 LYS 28 2HB LYS 28 61.399 56.414 -17.460 198 HG2 LYS 28 2HG LYS 28 60.701 57.567 -15.325 199 HG3 LYS 28 1HG LYS 28 59.680 56.209 -14.913 200 HD2 LYS 28 1HD LYS 28 61.535 55.774 -13.597 201 HD3 LYS 28 2HD LYS 28 61.821 54.702 -14.961 202 HE2 LYS 28 1HE LYS 28 63.466 56.406 -15.941 203 HE3 LYS 28 2HE LYS 28 63.159 57.478 -14.570 204 HZ1 LYS 28 2HZ LYS 28 63.956 55.651 -13.045 205 HZ2 LYS 28 3HZ LYS 28 64.247 54.661 -14.311 206 HZ3 LYS 28 1HZ LYS 28 65.141 56.027 -14.116 207 H GLY 29 H GLY 29 59.061 54.698 -19.324 208 HA2 GLY 29 1HA GLY 29 58.799 54.599 -21.761 209 HA3 GLY 29 2HA GLY 29 58.934 56.334 -21.870 210 H ALA 30 H ALA 30 61.097 57.220 -21.696 211 HA ALA 30 HA ALA 30 63.158 55.555 -23.165 212 HB1 ALA 30 1HB ALA 30 64.331 57.750 -23.448 213 HB2 ALA 30 2HB ALA 30 62.637 57.867 -23.962 214 HB3 ALA 30 3HB ALA 30 63.144 58.551 -22.395 215 H ILE 31 H ILE 31 64.943 54.729 -22.266 216 HA ILE 31 HA ILE 31 65.904 55.690 -19.543 217 HB ILE 31 HB ILE 31 64.580 53.623 -19.276 218 HG12 ILE 31 1HG1 ILE 31 67.468 52.976 -18.482 219 HG13 ILE 31 2HG1 ILE 31 66.659 54.374 -17.807 220 HG21 ILE 31 2HG2 ILE 31 65.419 51.370 -19.925 221 HG22 ILE 31 3HG2 ILE 31 65.141 52.352 -21.370 222 HG23 ILE 31 1HG2 ILE 31 66.800 52.089 -20.789 223 HD11 ILE 31 1HD1 ILE 31 66.412 52.483 -16.257 224 HD12 ILE 31 2HD1 ILE 31 64.805 52.938 -16.870 225 HD13 ILE 31 3HD1 ILE 31 65.624 51.485 -17.496 226 H ILE 32 H ILE 32 68.102 55.708 -19.174 227 HA ILE 32 HA ILE 32 69.729 56.096 -21.648 228 HB ILE 32 HB ILE 32 69.774 57.783 -19.858 229 HG12 ILE 32 2HG1 ILE 32 72.307 58.120 -19.675 230 HG13 ILE 32 1HG1 ILE 32 72.543 56.589 -20.479 231 HG21 ILE 32 3HG2 ILE 32 71.019 57.544 -17.752 232 HG22 ILE 32 1HG2 ILE 32 71.444 55.854 -18.118 233 HG23 ILE 32 2HG2 ILE 32 69.756 56.305 -17.793 234 HD11 ILE 32 1HD1 ILE 32 71.328 57.555 -22.549 235 HD12 ILE 32 2HD1 ILE 32 72.739 58.515 -22.060 236 HD13 ILE 32 3HD1 ILE 32 71.108 59.082 -21.654 237 H GLY 33 H GLY 33 71.460 55.011 -22.309 238 HA2 GLY 33 1HA GLY 33 73.001 52.909 -21.004 239 HA3 GLY 33 2HA GLY 33 71.638 52.103 -21.774 240 H LEU 34 H LEU 34 74.417 54.183 -22.393 241 HA LEU 34 HA LEU 34 74.258 53.755 -25.398 242 HB2 LEU 34 1HB LEU 34 74.767 56.035 -24.330 243 HB3 LEU 34 2HB LEU 34 76.269 55.363 -23.733 244 HG LEU 34 HG LEU 34 76.889 54.881 -26.244 245 HD11 LEU 34 2HD1 LEU 34 74.574 55.211 -27.259 246 HD12 LEU 34 3HD1 LEU 34 75.763 56.328 -27.950 247 HD13 LEU 34 1HD1 LEU 34 74.596 56.915 -26.746 248 HD21 LEU 34 1HD2 LEU 34 76.576 57.812 -25.298 249 HD22 LEU 34 2HD2 LEU 34 77.919 56.720 -24.884 250 HD23 LEU 34 3HD2 LEU 34 77.685 57.233 -26.564 251 H MET 35 H MET 35 75.042 51.867 -26.096 252 HA MET 35 HA MET 35 77.768 50.894 -25.143 253 HB2 MET 35 2HB MET 35 77.172 48.583 -25.012 254 HB3 MET 35 1HB MET 35 76.289 49.540 -23.848 255 HG2 MET 35 2HG MET 35 74.176 49.326 -25.266 256 HG3 MET 35 1HG MET 35 75.086 48.367 -26.441 257 HE1 MET 35 2HE MET 35 73.626 46.933 -22.297 258 HE2 MET 35 1HE MET 35 74.457 48.510 -22.439 259 HE3 MET 35 3HE MET 35 72.914 48.227 -23.304 260 H VAL 36 H VAL 36 78.857 51.497 -26.864 261 HA VAL 36 HA VAL 36 78.205 50.188 -29.538 262 HB VAL 36 HB VAL 36 77.295 52.463 -29.609 263 HG11 VAL 36 1HG1 VAL 36 78.980 53.781 -28.243 264 HG12 VAL 36 2HG1 VAL 36 80.162 53.607 -29.561 265 HG13 VAL 36 3HG1 VAL 36 78.651 54.502 -29.831 266 HG21 VAL 36 1HG2 VAL 36 78.132 53.044 -31.848 267 HG22 VAL 36 2HG2 VAL 36 79.605 52.068 -31.611 268 HG23 VAL 36 3HG2 VAL 36 78.013 51.287 -31.696 269 H GLY 37 H GLY 37 79.692 48.666 -29.281 270 HA2 GLY 37 1HA GLY 37 82.577 49.321 -28.497 271 HA3 GLY 37 2HA GLY 37 81.904 47.716 -28.627 272 H GLY 38 H GLY 38 81.708 46.783 -30.709 273 HA2 GLY 38 1HA GLY 38 83.549 47.972 -32.893 274 HA3 GLY 38 2HA GLY 38 83.260 46.261 -32.694 275 H VAL 39 H VAL 39 81.251 45.404 -33.427 276 HA VAL 39 HA VAL 39 79.739 47.141 -35.437 277 HB VAL 39 HB VAL 39 78.735 45.110 -36.366 278 HG11 VAL 39 1HG1 VAL 39 80.646 44.456 -37.779 279 HG12 VAL 39 2HG1 VAL 39 81.808 45.104 -36.595 280 HG13 VAL 39 3HG1 VAL 39 80.711 46.200 -37.466 281 HG21 VAL 39 1HG2 VAL 39 80.808 43.401 -34.843 282 HG22 VAL 39 2HG2 VAL 39 79.666 42.850 -36.091 283 HG23 VAL 39 3HG2 VAL 39 79.056 43.409 -34.527 284 H VAL 40 H VAL 40 77.946 48.042 -34.712 285 HA VAL 40 HA VAL 40 76.431 46.832 -32.361 286 HB VAL 40 HB VAL 40 77.301 49.145 -32.114 287 HG11 VAL 40 1HG2 VAL 40 76.870 50.124 -34.415 288 HG12 VAL 40 2HG2 VAL 40 76.163 51.120 -33.123 289 HG13 VAL 40 3HG2 VAL 40 75.126 50.063 -34.105 290 HG21 VAL 40 1HG1 VAL 40 74.241 48.958 -31.890 291 HG22 VAL 40 2HG1 VAL 40 75.407 48.312 -30.712 292 HG23 VAL 40 3HG1 VAL 40 75.309 50.061 -30.982 293 HCG9 23Y 101 HCG9 EVG 1 51.464 42.403 8.299 294 HCG3 23Y 101 HCG3 EVG 1 50.277 41.518 4.047 295 HCG7 23Y 101 HCG7 EVG 1 51.995 38.226 8.948 296 HCG4 23Y 101 HCG4 EVG 1 48.415 39.586 5.527 297 HCB1 23Y 101 HCB1 EVG 1 47.342 42.430 6.194 298 HCB2 23Y 101 HCB2 EVG 1 45.257 43.361 5.293 299 HOB3 23Y 101 HOB3 EVG 1 44.070 43.793 3.461 300 HCB4 23Y 101 HCB4 EVG 1 46.581 42.505 1.309 301 HCB5 23Y 101 HCB5 EVG 1 48.683 41.579 2.197 302 HCC1 23Y 101 HCC1 EVG 1 51.899 39.234 3.974 303 HOC2 23Y 101 HOC2 EVG 1 53.215 38.223 2.497 304 HCC3 23Y 101 HCC3 EVG 1 50.498 36.595 0.920 305 HOC4 23Y 101 HOC4 EVG 1 48.302 36.255 0.853 306 HCC5 23Y 101 HCC5 EVG 1 47.696 38.399 3.592 307 HCD1 23Y 101 HCD1 EVG 1 49.901 37.104 5.909 308 HCD2 23Y 101 HCD2 EVG 1 51.522 36.198 8.295 309 HCE1 23Y 101 HCE1 EVG 1 48.984 32.708 4.709 310 HOE2 23Y 101 HOE2 EVG 1 50.260 30.084 6.730 311 HCE3 23Y 101 HCE3 EVG 1 51.248 31.495 8.136 312 HCE4 23Y 101 HCE4 EVG 1 51.694 33.835 8.691 313 HCE6 23Y 101 HCE6 EVG 1 49.434 35.053 5.218 314 HCF5 23Y 101 HCF5 EVG 1 56.423 40.215 8.706 315 HCF1 23Y 101 HCF1 EVG 1 54.248 41.530 9.159 316 HCF2 23Y 101 HCF2 EVG 1 54.047 40.313 11.983 317 HOF2 23Y 101 HOF2 EVG 1 54.397 42.995 11.073 318 HCF3 23Y 101 HCF3 EVG 1 56.441 41.872 10.828 319 HOF3 23Y 101 HOF3 EVG 1 55.898 41.895 13.099 320 HCF4 23Y 101 HCF4 EVG 1 56.323 38.863 11.481 321 HOF4 23Y 101 HOF4 EVG 1 58.244 40.591 10.288 322 HF61 23Y 101 HF61 EVG 1 56.194 38.006 7.744 323 HF62 23Y 101 HF62 EVG 1 57.590 37.967 8.828 324 HCF6 23Y 101 HCF6 EVG 1 54.955 37.204 9.581 325 HCG9 23Y 102 HCG9 EVG 2 59.500 43.947 -21.842 326 HCG3 23Y 102 HCG3 EVG 2 56.966 47.551 -22.714 327 HCG7 23Y 102 HCG7 EVG 2 60.464 45.649 -18.050 328 HCG4 23Y 102 HCG4 EVG 2 59.570 48.940 -21.891 329 HCB1 23Y 102 HCB1 EVG 2 56.392 49.514 -24.047 330 HCB2 23Y 102 HCB2 EVG 2 56.713 50.749 -26.154 331 HOB3 23Y 102 HOB3 EVG 2 59.626 50.316 -28.130 332 HCB4 23Y 102 HCB4 EVG 2 60.499 48.829 -26.723 333 HCB5 23Y 102 HCB5 EVG 2 60.196 47.586 -24.624 334 HCC1 23Y 102 HCC1 EVG 2 58.678 51.136 -21.701 335 HOC2 23Y 102 HOC2 EVG 2 56.470 53.511 -20.287 336 HCC3 23Y 102 HCC3 EVG 2 55.251 51.963 -19.291 337 HOC4 23Y 102 HOC4 EVG 2 54.169 50.204 -18.478 338 HCC5 23Y 102 HCC5 EVG 2 56.390 47.907 -20.000 339 HCD1 23Y 102 HCD1 EVG 2 59.503 49.250 -18.989 340 HCD2 23Y 102 HCD2 EVG 2 60.567 47.417 -16.825 341 HCE1 23Y 102 HCE1 EVG 2 59.782 52.923 -16.173 342 HOE2 23Y 102 HOE2 EVG 2 60.247 53.526 -14.077 343 HCE3 23Y 102 HCE3 EVG 2 61.420 50.312 -13.202 344 HCE4 23Y 102 HCE4 EVG 2 61.197 48.408 -14.734 345 HCE6 23Y 102 HCE6 EVG 2 59.562 51.055 -17.727 346 HCF5 23Y 102 HCF5 EVG 2 57.395 40.679 -19.790 347 HCF1 23Y 102 HCF1 EVG 2 61.093 42.229 -20.768 348 HCF2 23Y 102 HCF2 EVG 2 62.047 41.651 -18.479 349 HOF2 23Y 102 HOF2 EVG 2 60.565 39.610 -19.756 350 HCF3 23Y 102 HCF3 EVG 2 60.625 40.074 -17.068 351 HOF3 23Y 102 HOF3 EVG 2 60.903 42.313 -16.607 352 HCF4 23Y 102 HCF4 EVG 2 58.081 40.375 -17.280 353 HOF4 23Y 102 HOF4 EVG 2 59.189 38.540 -17.922 354 HF61 23Y 102 HF61 EVG 2 57.976 43.197 -18.148 355 HF62 23Y 102 HF62 EVG 2 56.534 42.176 -18.044 356 HCF6 23Y 102 HOF6 EVG 2 57.461 43.422 -20.426 Start of MODEL 2 1 H1 ASP 1 1H ASP 1 30.401 21.704 17.584 2 H2 ASP 1 2H ASP 1 31.467 22.141 16.381 3 H3 ASP 1 3H ASP 1 31.821 22.413 17.980 4 HA ASP 1 HA ASP 1 29.569 23.655 16.474 5 HB2 ASP 1 2HB ASP 1 30.438 23.995 19.422 6 HB3 ASP 1 1HB ASP 1 29.329 25.081 18.601 7 H ALA 2 H ALA 2 32.665 24.645 18.171 8 HA ALA 2 HA ALA 2 32.770 27.126 16.503 9 HB1 ALA 2 1HB ALA 2 34.770 25.957 18.552 10 HB2 ALA 2 2HB ALA 2 33.480 27.148 18.893 11 HB3 ALA 2 3HB ALA 2 34.837 27.575 17.834 12 H GLU 3 H GLU 3 33.816 27.382 14.657 13 HA GLU 3 HA GLU 3 36.033 25.460 13.778 14 HB2 GLU 3 2HB GLU 3 33.736 24.944 12.730 15 HB3 GLU 3 1HB GLU 3 33.791 26.518 11.949 16 HG2 GLU 3 2HG GLU 3 35.960 25.779 10.750 17 HG3 GLU 3 1HG GLU 3 35.818 24.199 11.533 18 H PHE 4 H PHE 4 37.791 26.672 13.697 19 HA PHE 4 HA PHE 4 37.734 29.487 12.467 20 HB2 PHE 4 1HB PHE 4 39.138 28.717 15.104 21 HB3 PHE 4 2HB PHE 4 39.518 30.152 14.200 22 HD1 PHE 4 HD2 PHE 4 37.930 32.084 14.068 23 HD2 PHE 4 HD1 PHE 4 36.937 28.570 16.341 24 HE1 PHE 4 HE2 PHE 4 36.135 33.322 15.214 25 HE2 PHE 4 HE1 PHE 4 35.145 29.832 17.481 26 HZ PHE 4 HZ PHE 4 34.740 32.195 16.915 27 H ARG 5 H ARG 5 38.998 29.439 10.750 28 HA ARG 5 HA ARG 5 41.220 27.365 10.442 29 HB2 ARG 5 2HB ARG 5 39.921 29.271 8.415 30 HB3 ARG 5 1HB ARG 5 41.325 28.317 8.028 31 HG2 ARG 5 1HG ARG 5 38.679 27.023 8.952 32 HG3 ARG 5 2HG ARG 5 39.012 27.452 7.282 33 HD2 ARG 5 1HD ARG 5 41.031 25.916 7.242 34 HD3 ARG 5 2HD ARG 5 40.706 25.456 8.933 35 HE ARG 5 HE ARG 5 38.271 25.118 7.255 36 HH11 ARG 5 2HH2 ARG 5 41.259 23.487 8.014 37 HH12 ARG 5 1HH2 ARG 5 40.542 21.860 7.581 38 HH21 ARG 5 1HH1 ARG 5 37.512 23.265 6.782 39 HH22 ARG 5 2HH1 ARG 5 38.528 21.763 6.909 40 H HIS 6 H HIS 6 43.279 27.919 10.783 41 HA HIS 6 HA HIS 6 44.066 30.608 11.609 42 HB2 HIS 6 2HB HIS 6 46.224 29.702 12.083 43 HB3 HIS 6 1HB HIS 6 45.001 28.591 12.620 44 HD2 HIS 6 HD2 HIS 6 47.931 28.897 10.118 45 HE1 HIS 6 HE1 HIS 6 46.670 24.942 9.908 46 HE2 HIS 6 HE2 HIS 6 48.453 26.574 9.033 47 H ASP 7 H ASP 7 44.804 28.978 8.516 48 HA ASP 7 HA ASP 7 46.434 31.284 7.544 49 HB2 ASP 7 1HB ASP 7 45.429 28.739 6.117 50 HB3 ASP 7 2HB ASP 7 46.393 29.973 5.326 51 H SER 8 H SER 8 43.173 30.118 6.539 52 HA SER 8 HA SER 8 42.745 32.347 4.655 53 HB2 SER 8 1HB SER 8 40.664 30.458 5.930 54 HB3 SER 8 2HB SER 8 40.349 31.542 4.579 55 HG SER 8 HG SER 8 42.052 30.437 3.426 56 H GLY 9 H GLY 9 42.032 32.239 8.100 57 HA2 GLY 9 1HA GLY 9 40.174 34.670 8.013 58 HA3 GLY 9 2HA GLY 9 40.628 33.777 9.447 59 H TYR 10 H TYR 10 41.766 36.110 7.104 60 HA TYR 10 HA TYR 10 44.144 36.890 8.797 61 HB2 TYR 10 2HB TYR 10 44.875 38.301 7.042 62 HB3 TYR 10 1HB TYR 10 44.536 36.709 6.449 63 HD1 TYR 10 HD1 TYR 10 42.504 36.314 4.931 64 HD2 TYR 10 HD2 TYR 10 43.684 40.263 6.144 65 HE1 TYR 10 HE1 TYR 10 41.140 37.287 3.122 66 HE2 TYR 10 HE2 TYR 10 42.329 41.212 4.314 67 HH TYR 10 HH TYR 10 40.935 40.790 2.629 68 H GLU 11 H GLU 11 43.217 37.593 10.649 69 HA GLU 11 HA GLU 11 41.489 40.120 10.622 70 HB2 GLU 11 2HB GLU 11 40.818 38.019 11.914 71 HB3 GLU 11 1HB GLU 11 42.219 38.251 12.945 72 HG2 GLU 11 2HG GLU 11 40.396 39.187 14.169 73 HG3 GLU 11 1HG GLU 11 41.212 40.614 13.549 74 H VAL 12 H VAL 12 43.080 41.554 9.975 75 HA VAL 12 HA VAL 12 45.148 42.322 12.101 76 HB VAL 12 HB VAL 12 46.241 41.063 10.306 77 HG11 VAL 12 1HG1 VAL 12 45.705 43.398 8.363 78 HG12 VAL 12 2HG1 VAL 12 46.713 41.965 8.061 79 HG13 VAL 12 3HG1 VAL 12 44.955 41.793 8.251 80 HG21 VAL 12 1HG2 VAL 12 48.191 42.549 10.045 81 HG22 VAL 12 2HG2 VAL 12 47.522 42.720 11.675 82 HG23 VAL 12 3HG2 VAL 12 47.219 43.983 10.457 83 H HIS 13 H HIS 13 43.927 43.868 12.976 84 HA HIS 13 HA HIS 13 42.494 45.940 11.369 85 HB2 HIS 13 1HB HIS 13 42.878 45.655 14.415 86 HB3 HIS 13 2HB HIS 13 42.009 46.977 13.680 87 HD2 HIS 13 HD2 HIS 13 41.583 43.224 14.458 88 HE1 HIS 13 HE1 HIS 13 37.984 44.506 12.817 89 HE2 HIS 13 HE2 HIS 13 39.115 42.475 13.838 90 H HIS 14 H HIS 14 45.376 46.191 13.504 91 HA HIS 14 HA HIS 14 45.869 49.025 12.505 92 HB2 HIS 14 2HB HIS 14 46.060 48.402 14.997 93 HB3 HIS 14 1HB HIS 14 47.471 47.441 14.605 94 HD2 HIS 14 HD2 HIS 14 46.221 51.119 14.821 95 HE1 HIS 14 HE1 HIS 14 50.369 51.309 14.441 96 HE2 HIS 14 HE2 HIS 14 48.304 52.781 14.913 97 H GLN 15 H GLN 15 47.000 49.237 10.701 98 HA GLN 15 HA GLN 15 48.780 47.022 9.613 99 HB2 GLN 15 1HB GLN 15 46.958 48.120 8.253 100 HB3 GLN 15 2HB GLN 15 47.826 49.650 8.336 101 HG2 GLN 15 1HG GLN 15 49.783 48.565 7.090 102 HG3 GLN 15 2HG GLN 15 48.895 47.051 7.009 103 HE21 GLN 15 1HE2 GLN 15 47.229 46.900 5.409 104 HE22 GLN 15 2HE2 GLN 15 46.911 48.293 4.247 105 H LYS 16 H LYS 16 50.478 47.164 11.080 106 HA LYS 16 HA LYS 16 52.216 49.694 11.114 107 HB2 LYS 16 2HB LYS 16 51.495 48.558 13.260 108 HB3 LYS 16 1HB LYS 16 52.449 47.153 12.817 109 HG2 LYS 16 1HG LYS 16 54.542 48.639 12.807 110 HG3 LYS 16 2HG LYS 16 53.545 50.020 13.274 111 HD2 LYS 16 2HD LYS 16 52.846 48.738 15.413 112 HD3 LYS 16 1HD LYS 16 53.844 47.404 14.892 113 HE2 LYS 16 1HE LYS 16 55.234 48.451 16.467 114 HE3 LYS 16 2HE LYS 16 55.917 48.978 14.939 115 HZ1 LYS 16 2HZ LYS 16 55.618 50.897 16.501 116 HZ2 LYS 16 3HZ LYS 16 54.625 51.128 15.212 117 HZ3 LYS 16 1HZ LYS 16 54.008 50.609 16.639 118 H LEU 17 H LEU 17 52.587 49.361 8.875 119 HA LEU 17 HA LEU 17 55.197 48.326 8.210 120 HB2 LEU 17 2HB LEU 17 54.759 46.578 6.514 121 HB3 LEU 17 1HB LEU 17 54.436 46.107 8.151 122 HG LEU 17 HG LEU 17 51.887 46.492 7.626 123 HD11 LEU 17 1HD2 LEU 17 52.129 47.645 5.373 124 HD12 LEU 17 2HD2 LEU 17 52.923 46.203 4.710 125 HD13 LEU 17 3HD2 LEU 17 51.223 46.136 5.237 126 HD21 LEU 17 2HD1 LEU 17 51.702 44.166 6.719 127 HD22 LEU 17 3HD1 LEU 17 53.418 44.177 6.245 128 HD23 LEU 17 1HD1 LEU 17 52.961 44.234 7.963 129 H VAL 18 H VAL 18 55.924 49.242 6.284 130 HA VAL 18 HA VAL 18 54.198 51.451 5.239 131 HB VAL 18 HB VAL 18 56.531 51.817 5.882 132 HG11 VAL 18 1HG2 VAL 18 57.426 50.532 3.224 133 HG12 VAL 18 2HG2 VAL 18 57.709 49.828 4.831 134 HG13 VAL 18 3HG2 VAL 18 58.442 51.386 4.406 135 HG21 VAL 18 1HG1 VAL 18 55.286 53.457 4.479 136 HG22 VAL 18 2HG1 VAL 18 57.022 53.473 4.135 137 HG23 VAL 18 3HG1 VAL 18 55.901 52.682 2.998 138 H PHE 19 H PHE 19 52.542 50.447 4.251 139 HA PHE 19 HA PHE 19 52.833 48.430 2.131 140 HB2 PHE 19 2HB PHE 19 50.841 48.747 3.763 141 HB3 PHE 19 1HB PHE 19 50.330 50.105 2.812 142 HD1 PHE 19 HD2 PHE 19 50.653 46.399 2.911 143 HD2 PHE 19 HD1 PHE 19 49.349 49.720 0.507 144 HE1 PHE 19 HE2 PHE 19 49.402 44.863 1.450 145 HE2 PHE 19 HE1 PHE 19 48.119 48.167 -0.953 146 HZ PHE 19 HZ PHE 19 48.137 45.741 -0.482 147 H PHE 20 H PHE 20 52.768 48.605 -0.044 148 HA PHE 20 HA PHE 20 53.083 51.349 -1.342 149 HB2 PHE 20 2HB PHE 20 53.517 48.521 -2.496 150 HB3 PHE 20 1HB PHE 20 53.653 49.986 -3.422 151 HD1 PHE 20 HD2 PHE 20 55.566 51.561 -3.112 152 HD2 PHE 20 HD1 PHE 20 55.286 47.956 -0.784 153 HE1 PHE 20 HE2 PHE 20 57.929 51.794 -2.450 154 HE2 PHE 20 HE1 PHE 20 57.646 48.197 -0.134 155 HZ PHE 20 HZ PHE 20 58.974 50.113 -0.964 156 H ALA 21 H ALA 21 51.221 52.283 -1.989 157 HA ALA 21 HA ALA 21 48.749 50.688 -2.679 158 HB1 ALA 21 1HB ALA 21 48.596 52.742 -1.299 159 HB2 ALA 21 2HB ALA 21 47.683 52.926 -2.809 160 HB3 ALA 21 3HB ALA 21 49.258 53.727 -2.635 161 H GLU 22 H GLU 22 50.377 49.745 -4.345 162 HA GLU 22 HA GLU 22 49.485 50.738 -7.109 163 HB2 GLU 22 1HB GLU 22 52.304 49.665 -6.373 164 HB3 GLU 22 2HB GLU 22 51.747 50.023 -7.997 165 HG2 GLU 22 1HG GLU 22 51.491 52.496 -7.346 166 HG3 GLU 22 2HG GLU 22 52.157 52.113 -5.763 167 H ASP 23 H ASP 23 49.005 49.063 -8.579 168 HA ASP 23 HA ASP 23 48.386 46.387 -7.517 169 HB2 ASP 23 2HB ASP 23 48.295 47.489 -10.384 170 HB3 ASP 23 1HB ASP 23 47.857 45.845 -9.969 171 H VAL 24 H VAL 24 50.319 45.714 -6.689 172 HA VAL 24 HA VAL 24 52.620 45.000 -8.484 173 HB VAL 24 HB VAL 24 52.972 46.135 -6.335 174 HG11 VAL 24 1HG2 VAL 24 52.396 43.480 -4.865 175 HG12 VAL 24 2HG2 VAL 24 51.363 44.926 -4.801 176 HG13 VAL 24 3HG2 VAL 24 53.012 44.993 -4.154 177 HG21 VAL 24 1HG1 VAL 24 54.842 44.896 -7.454 178 HG22 VAL 24 2HG1 VAL 24 55.022 44.936 -5.694 179 HG23 VAL 24 3HG1 VAL 24 54.469 43.443 -6.492 180 H GLY 25 H GLY 25 52.504 43.228 -9.626 181 HA2 GLY 25 1HA GLY 25 50.722 40.894 -8.898 182 HA3 GLY 25 2HA GLY 25 51.581 41.082 -10.406 183 H SER 26 H SER 26 53.906 40.651 -10.360 184 HA SER 26 HA SER 26 54.568 38.212 -8.651 185 HB2 SER 26 2HB SER 26 56.032 39.392 -11.103 186 HB3 SER 26 1HB SER 26 56.495 37.924 -10.242 187 HG SER 26 HG SER 26 53.920 38.324 -11.382 188 H ASN 27 H ASN 27 56.072 38.255 -7.053 189 HA ASN 27 HA ASN 27 57.341 40.835 -6.245 190 HB2 ASN 27 2HB ASN 27 58.036 39.787 -4.222 191 HB3 ASN 27 1HB ASN 27 56.362 39.454 -4.541 192 HD21 ASN 27 2HD2 ASN 27 59.525 37.953 -4.364 193 HD22 ASN 27 1HD2 ASN 27 58.827 36.265 -4.198 194 H LYS 28 H LYS 28 58.923 41.516 -7.522 195 HA LYS 28 HA LYS 28 61.422 39.808 -7.794 196 HB2 LYS 28 1HB LYS 28 61.833 40.381 -10.105 197 HB3 LYS 28 2HB LYS 28 60.341 39.488 -9.915 198 HG2 LYS 28 1HG LYS 28 58.995 41.574 -10.228 199 HG3 LYS 28 2HG LYS 28 60.435 42.555 -10.380 200 HD2 LYS 28 2HD LYS 28 59.833 40.168 -12.270 201 HD3 LYS 28 1HD LYS 28 59.146 41.759 -12.535 202 HE2 LYS 28 1HE LYS 28 61.463 42.789 -12.706 203 HE3 LYS 28 2HE LYS 28 62.199 41.205 -12.447 204 HZ1 LYS 28 2HZ LYS 28 61.953 41.689 -14.890 205 HZ2 LYS 28 3HZ LYS 28 60.328 41.858 -14.739 206 HZ3 LYS 28 1HZ LYS 28 61.018 40.394 -14.506 207 H GLY 29 H GLY 29 63.314 40.813 -7.657 208 HA2 GLY 29 1HA GLY 29 63.481 43.860 -7.370 209 HA3 GLY 29 2HA GLY 29 63.910 42.905 -5.966 210 H ALA 30 H ALA 30 64.655 43.310 -9.401 211 HA ALA 30 HA ALA 30 67.361 42.015 -9.157 212 HB1 ALA 30 1HB ALA 30 67.503 42.482 -11.612 213 HB2 ALA 30 2HB ALA 30 65.973 41.679 -11.209 214 HB3 ALA 30 3HB ALA 30 66.005 43.434 -11.548 215 H ILE 31 H ILE 31 69.219 43.025 -8.838 216 HA ILE 31 HA ILE 31 69.540 46.035 -9.332 217 HB ILE 31 HB ILE 31 70.528 44.599 -6.812 218 HG12 ILE 31 2HG1 ILE 31 68.568 46.987 -6.789 219 HG13 ILE 31 1HG1 ILE 31 67.953 45.368 -6.949 220 HG21 ILE 31 2HG2 ILE 31 72.147 46.378 -7.618 221 HG22 ILE 31 3HG2 ILE 31 70.842 47.586 -7.600 222 HG23 ILE 31 1HG2 ILE 31 71.400 46.841 -6.085 223 HD11 ILE 31 1HD1 ILE 31 67.844 45.978 -4.607 224 HD12 ILE 31 2HD1 ILE 31 69.595 46.299 -4.526 225 HD13 ILE 31 3HD1 ILE 31 68.994 44.638 -4.796 226 H ILE 32 H ILE 32 70.669 45.748 -11.150 227 HA ILE 32 HA ILE 32 73.383 44.441 -11.041 228 HB ILE 32 HB ILE 32 73.209 43.261 -13.241 229 HG12 ILE 32 2HG1 ILE 32 70.932 42.181 -13.790 230 HG13 ILE 32 1HG1 ILE 32 70.149 43.475 -12.916 231 HG21 ILE 32 3HG2 ILE 32 71.526 42.013 -11.002 232 HG22 ILE 32 1HG2 ILE 32 73.301 42.064 -11.058 233 HG23 ILE 32 2HG2 ILE 32 72.408 41.154 -12.286 234 HD11 ILE 32 1HD1 ILE 32 72.054 43.954 -15.335 235 HD12 ILE 32 2HD1 ILE 32 70.875 45.108 -14.662 236 HD13 ILE 32 3HD1 ILE 32 70.311 43.668 -15.506 237 H GLY 33 H GLY 33 71.312 46.491 -13.042 238 HA2 GLY 33 1HA GLY 33 72.856 48.767 -13.466 239 HA3 GLY 33 2HA GLY 33 73.781 47.633 -14.435 240 H LEU 34 H LEU 34 70.601 49.097 -14.072 241 HA LEU 34 HA LEU 34 70.097 48.760 -17.084 242 HB2 LEU 34 2HB LEU 34 68.721 47.128 -15.640 243 HB3 LEU 34 1HB LEU 34 67.991 48.512 -14.859 244 HG LEU 34 HG LEU 34 67.153 49.241 -17.245 245 HD11 LEU 34 1HD2 LEU 34 66.901 47.403 -18.926 246 HD12 LEU 34 2HD2 LEU 34 67.821 46.280 -17.901 247 HD13 LEU 34 3HD2 LEU 34 68.623 47.691 -18.632 248 HD21 LEU 34 2HD1 LEU 34 65.179 47.709 -17.086 249 HD22 LEU 34 3HD1 LEU 34 66.070 46.626 -15.990 250 HD23 LEU 34 1HD1 LEU 34 65.655 48.279 -15.478 251 H MET 35 H MET 35 70.231 50.773 -17.893 252 HA MET 35 HA MET 35 69.631 53.232 -16.211 253 HB2 MET 35 1HB MET 35 70.827 52.927 -19.032 254 HB3 MET 35 2HB MET 35 70.400 54.473 -18.341 255 HG2 MET 35 2HG MET 35 72.481 52.583 -17.070 256 HG3 MET 35 1HG MET 35 72.833 53.981 -18.099 257 HE1 MET 35 2HE MET 35 73.899 55.274 -14.555 258 HE2 MET 35 1HE MET 35 74.058 53.611 -15.194 259 HE3 MET 35 3HE MET 35 74.397 55.016 -16.253 260 H VAL 36 H VAL 36 67.684 54.143 -16.249 261 HA VAL 36 HA VAL 36 65.654 53.388 -18.377 262 HB VAL 36 HB VAL 36 65.059 53.071 -16.036 263 HG11 VAL 36 1HG1 VAL 36 66.053 55.126 -14.924 264 HG12 VAL 36 2HG1 VAL 36 64.344 54.874 -14.525 265 HG13 VAL 36 3HG1 VAL 36 64.806 56.130 -15.695 266 HG21 VAL 36 1HG2 VAL 36 62.739 53.864 -16.221 267 HG22 VAL 36 2HG2 VAL 36 63.302 53.307 -17.805 268 HG23 VAL 36 3HG2 VAL 36 63.186 55.053 -17.469 269 H GLY 37 H GLY 37 66.362 54.466 -20.121 270 HA2 GLY 37 1HA GLY 37 65.642 57.383 -20.450 271 HA3 GLY 37 2HA GLY 37 67.377 57.100 -20.389 272 H GLY 38 H GLY 38 64.454 56.361 -22.160 273 HA2 GLY 38 1HA GLY 38 64.271 56.294 -24.644 274 HA3 GLY 38 2HA GLY 38 66.001 56.100 -24.796 275 H VAL 39 H VAL 39 66.874 54.005 -24.322 276 HA VAL 39 HA VAL 39 64.972 51.640 -24.164 277 HB VAL 39 HB VAL 39 66.937 51.936 -26.504 278 HG11 VAL 39 1HG2 VAL 39 67.009 49.551 -25.659 279 HG12 VAL 39 2HG2 VAL 39 66.255 49.658 -27.253 280 HG13 VAL 39 3HG2 VAL 39 65.240 49.438 -25.806 281 HG21 VAL 39 1HG1 VAL 39 64.932 51.634 -27.977 282 HG22 VAL 39 2HG1 VAL 39 64.683 53.028 -26.921 283 HG23 VAL 39 3HG1 VAL 39 63.866 51.499 -26.555 284 H VAL 40 H VAL 40 68.541 51.812 -24.785 285 HA VAL 40 HA VAL 40 69.096 51.281 -21.890 286 HB VAL 40 HB VAL 40 70.096 49.316 -24.044 287 HG11 VAL 40 1HG1 VAL 40 71.283 48.083 -22.226 288 HG12 VAL 40 2HG1 VAL 40 71.870 49.752 -22.307 289 HG13 VAL 40 3HG1 VAL 40 70.746 49.278 -21.014 290 HG21 VAL 40 1HG2 VAL 40 67.752 48.711 -23.292 291 HG22 VAL 40 2HG2 VAL 40 68.291 48.675 -21.603 292 HG23 VAL 40 3HG2 VAL 40 68.924 47.489 -22.779 293 HCG9 23Y 101 HCG9 EVG 1 43.398 46.034 -0.356 294 HCG3 23Y 101 HCG3 EVG 1 44.054 46.026 4.092 295 HCG7 23Y 101 HCG7 EVG 1 39.742 43.894 0.219 296 HCG4 23Y 101 HCG4 EVG 1 43.481 43.061 3.648 297 HCB1 23Y 101 HCB1 EVG 1 46.248 43.601 2.265 298 HCB2 23Y 101 HCB2 EVG 1 48.390 42.794 3.159 299 HOB3 23Y 101 HOB3 EVG 1 49.722 42.680 4.940 300 HCB4 23Y 101 HCB4 EVG 1 47.500 44.572 6.953 301 HCB5 23Y 101 HCB5 EVG 1 45.335 45.366 6.082 302 HCC1 23Y 101 HCC1 EVG 1 41.242 46.030 4.534 303 HOC2 23Y 101 HOC2 EVG 1 39.840 46.979 5.967 304 HCC3 23Y 101 HCC3 EVG 1 40.511 44.584 8.489 305 HOC4 23Y 101 HOC4 EVG 1 41.580 42.771 9.068 306 HCC5 23Y 101 HCC5 EVG 1 43.325 42.564 5.996 307 HCD1 23Y 101 HCD1 EVG 1 40.574 42.725 3.792 308 HCD2 23Y 101 HCD2 EVG 1 38.541 42.649 1.555 309 HCE1 23Y 101 HCE1 EVG 1 37.931 39.984 6.460 310 HOE2 23Y 101 HOE2 EVG 1 34.811 38.870 5.190 311 HCE3 23Y 101 HCE3 EVG 1 35.092 39.929 3.256 312 HCE4 23Y 101 HCE4 EVG 1 36.546 41.368 1.917 313 HCE6 23Y 101 HCE6 EVG 1 39.410 41.427 5.152 314 HCF5 23Y 101 HCF5 EVG 1 39.039 43.810 -4.540 315 HCF1 23Y 101 HCF1 EVG 1 39.689 44.083 -2.061 316 HCF2 23Y 101 HCF2 EVG 1 39.398 47.164 -2.253 317 HOF2 23Y 101 HOF2 EVG 1 39.123 46.248 -0.192 318 HCF3 23Y 101 HCF3 EVG 1 37.272 45.044 -2.907 319 HOF3 23Y 101 HOF3 EVG 1 36.285 46.908 -3.791 320 HCF4 23Y 101 HCF4 EVG 1 38.724 46.865 -4.918 321 HOF4 23Y 101 HOF4 EVG 1 37.478 45.555 -6.324 322 HF61 23Y 101 HF61 EVG 1 40.575 45.777 -6.365 323 HF62 23Y 101 HF62 EVG 1 41.037 44.111 -6.047 324 HCF6 23Y 101 HCF6 EVG 1 38.879 45.071 -7.536 325 HCG9 23Y 102 HCG9 EVG 2 66.438 51.863 -0.225 326 HCG3 23Y 102 HCG3 EVG 2 63.789 54.449 -2.735 327 HCG7 23Y 102 HCG7 EVG 2 66.398 48.911 -3.315 328 HCG4 23Y 102 HCG4 EVG 2 62.196 51.834 -2.831 329 HCB1 23Y 102 HCB1 EVG 2 61.948 52.839 0.111 330 HCB2 23Y 102 HCB2 EVG 2 59.892 53.779 1.078 331 HOB3 23Y 102 HOB3 EVG 2 58.294 55.317 0.881 332 HCB4 23Y 102 HCB4 EVG 2 59.669 56.624 -2.116 333 HCB5 23Y 102 HCB5 EVG 2 61.725 55.694 -3.101 334 HCC1 23Y 102 HCC1 EVG 2 64.860 53.399 -5.093 335 HOC2 23Y 102 HOC2 EVG 2 65.425 54.151 -7.103 336 HCC3 23Y 102 HCC3 EVG 2 62.082 54.007 -8.288 337 HOC4 23Y 102 HOC4 EVG 2 59.370 52.898 -6.285 338 HCC5 23Y 102 HCC5 EVG 2 60.691 52.512 -4.533 339 HCD1 23Y 102 HCD1 EVG 2 63.238 50.270 -5.054 340 HCD2 23Y 102 HCD2 EVG 2 65.424 48.182 -5.141 341 HCE1 23Y 102 HCE1 EVG 2 61.225 48.521 -8.848 342 HOE2 23Y 102 HOE2 EVG 2 61.366 46.891 -10.353 343 HCE3 23Y 102 HCE3 EVG 2 64.321 45.569 -8.915 344 HCE4 23Y 102 HCE4 EVG 2 65.320 46.541 -6.900 345 HCE6 23Y 102 HCE6 EVG 2 62.215 49.545 -6.868 346 HCF5 23Y 102 HCF5 EVG 2 68.313 45.951 -2.212 347 HCF1 23Y 102 HCF1 EVG 2 68.612 48.541 -2.432 348 HCF2 23Y 102 HCF2 EVG 2 69.339 48.743 0.553 349 HOF2 23Y 102 HOF2 EVG 2 71.366 49.335 -0.437 350 HCF3 23Y 102 HCF3 EVG 2 70.728 46.998 -1.572 351 HOF3 23Y 102 HOF3 EVG 2 70.965 47.070 1.253 352 HCF4 23Y 102 HCF4 EVG 2 69.000 46.027 0.798 353 HOF4 23Y 102 HOF4 EVG 2 70.248 44.743 -1.414 354 HF61 23Y 102 HF61 EVG 2 66.629 45.224 0.267 355 HF62 23Y 102 HF62 EVG 2 66.000 45.351 -1.374 356 HCF6 23Y 102 HOF6 EVG 2 67.510 43.690 -1.984 Start of MODEL 3 1 H1 ASP 1 1H ASP 1 40.304 18.661 24.718 2 H2 ASP 1 2H ASP 1 39.942 19.964 25.686 3 H3 ASP 1 3H ASP 1 40.769 18.630 26.293 4 HA ASP 1 HA ASP 1 42.316 20.458 25.970 5 HB2 ASP 1 1HB ASP 1 42.629 17.913 24.233 6 HB3 ASP 1 2HB ASP 1 43.930 19.056 24.519 7 H ALA 2 H ALA 2 42.688 22.258 24.829 8 HA ALA 2 HA ALA 2 41.363 22.700 22.145 9 HB1 ALA 2 1HB ALA 2 41.106 24.425 23.933 10 HB2 ALA 2 2HB ALA 2 42.877 24.636 24.022 11 HB3 ALA 2 3HB ALA 2 41.996 25.087 22.547 12 H GLU 3 H GLU 3 42.419 22.692 20.286 13 HA GLU 3 HA GLU 3 45.481 22.853 20.175 14 HB2 GLU 3 1HB GLU 3 44.530 20.486 19.898 15 HB3 GLU 3 2HB GLU 3 43.706 21.026 18.442 16 HG2 GLU 3 1HG GLU 3 46.030 21.637 17.450 17 HG3 GLU 3 2HG GLU 3 46.774 20.994 18.917 18 H PHE 4 H PHE 4 45.917 24.728 19.238 19 HA PHE 4 HA PHE 4 43.977 26.075 17.317 20 HB2 PHE 4 2HB PHE 4 46.552 27.130 18.636 21 HB3 PHE 4 1HB PHE 4 45.637 28.022 17.460 22 HD1 PHE 4 HD2 PHE 4 43.393 28.993 17.993 23 HD2 PHE 4 HD1 PHE 4 45.607 26.800 20.958 24 HE1 PHE 4 HE2 PHE 4 41.950 29.913 19.765 25 HE2 PHE 4 HE1 PHE 4 44.153 27.724 22.716 26 HZ PHE 4 HZ PHE 4 42.326 29.282 22.125 27 H ARG 5 H ARG 5 44.210 25.866 15.206 28 HA ARG 5 HA ARG 5 46.953 25.286 13.949 29 HB2 ARG 5 1HB ARG 5 45.406 23.218 14.118 30 HB3 ARG 5 2HB ARG 5 44.280 24.048 13.073 31 HG2 ARG 5 1HG ARG 5 45.409 22.664 11.560 32 HG3 ARG 5 2HG ARG 5 46.206 24.191 11.298 33 HD2 ARG 5 1HD ARG 5 48.010 22.627 11.338 34 HD3 ARG 5 2HD ARG 5 48.098 23.366 12.908 35 HE ARG 5 HE ARG 5 47.263 21.317 13.997 36 HH11 ARG 5 1HH1 ARG 5 47.391 20.870 10.539 37 HH12 ARG 5 2HH1 ARG 5 47.304 19.053 10.720 38 HH21 ARG 5 1HH2 ARG 5 47.102 19.271 14.154 39 HH22 ARG 5 2HH2 ARG 5 47.173 18.217 12.674 40 H HIS 6 H HIS 6 47.474 27.008 12.759 41 HA HIS 6 HA HIS 6 45.386 28.932 11.767 42 HB2 HIS 6 1HB HIS 6 47.155 30.479 11.370 43 HB3 HIS 6 2HB HIS 6 47.300 29.813 12.968 44 HD2 HIS 6 HD2 HIS 6 49.125 29.917 9.554 45 HE1 HIS 6 HE1 HIS 6 51.802 28.219 12.263 46 HE2 HIS 6 HE2 HIS 6 51.652 29.119 9.848 47 H ASP 7 H ASP 7 44.417 28.526 9.914 48 HA ASP 7 HA ASP 7 46.038 27.597 7.473 49 HB2 ASP 7 2HB ASP 7 44.671 25.740 8.542 50 HB3 ASP 7 1HB ASP 7 43.196 26.634 8.198 51 H SER 8 H SER 8 42.705 28.875 8.005 52 HA SER 8 HA SER 8 43.403 31.226 6.172 53 HB2 SER 8 2HB SER 8 41.270 31.040 5.000 54 HB3 SER 8 1HB SER 8 42.210 29.555 4.817 55 HG SER 8 HG SER 8 40.048 29.078 5.317 56 H GLY 9 H GLY 9 43.085 33.064 7.168 57 HA2 GLY 9 1HA GLY 9 40.673 34.015 8.491 58 HA3 GLY 9 2HA GLY 9 41.671 33.328 9.766 59 H TYR 10 H TYR 10 41.472 35.842 7.362 60 HA TYR 10 HA TYR 10 43.989 37.235 8.413 61 HB2 TYR 10 1HB TYR 10 42.230 37.848 5.967 62 HB3 TYR 10 2HB TYR 10 43.501 38.896 6.520 63 HD1 TYR 10 HD1 TYR 10 45.915 38.259 6.302 64 HD2 TYR 10 HD2 TYR 10 42.804 35.644 4.892 65 HE1 TYR 10 HE1 TYR 10 47.569 36.975 4.999 66 HE2 TYR 10 HE2 TYR 10 44.467 34.368 3.607 67 HH TYR 10 HH TYR 10 46.615 34.162 3.058 68 H GLU 11 H GLU 11 43.517 38.176 10.264 69 HA GLU 11 HA GLU 11 41.336 40.324 10.393 70 HB2 GLU 11 1HB GLU 11 41.797 38.136 12.506 71 HB3 GLU 11 2HB GLU 11 40.994 39.644 12.874 72 HG2 GLU 11 2HG GLU 11 39.918 37.752 10.678 73 HG3 GLU 11 1HG GLU 11 39.463 37.629 12.371 74 H VAL 12 H VAL 12 42.863 41.849 10.105 75 HA VAL 12 HA VAL 12 44.638 42.491 12.459 76 HB VAL 12 HB VAL 12 46.575 43.254 11.106 77 HG11 VAL 12 1HG2 VAL 12 47.739 41.083 11.028 78 HG12 VAL 12 2HG2 VAL 12 46.192 40.202 11.021 79 HG13 VAL 12 3HG2 VAL 12 46.677 41.136 12.448 80 HG21 VAL 12 1HG1 VAL 12 45.576 41.472 8.791 81 HG22 VAL 12 2HG1 VAL 12 45.664 43.249 8.751 82 HG23 VAL 12 3HG1 VAL 12 47.147 42.302 8.901 83 H HIS 13 H HIS 13 43.618 44.261 13.074 84 HA HIS 13 HA HIS 13 42.442 46.210 11.125 85 HB2 HIS 13 2HB HIS 13 42.478 46.183 14.204 86 HB3 HIS 13 1HB HIS 13 41.777 47.482 13.276 87 HD2 HIS 13 HD2 HIS 13 39.523 46.983 11.783 88 HE1 HIS 13 HE1 HIS 13 38.593 43.355 13.622 89 HE2 HIS 13 HE2 HIS 13 37.597 45.154 12.074 90 H HIS 14 H HIS 14 45.035 46.616 13.606 91 HA HIS 14 HA HIS 14 45.829 49.254 12.311 92 HB2 HIS 14 2HB HIS 14 46.885 47.858 14.848 93 HB3 HIS 14 1HB HIS 14 47.589 49.310 14.182 94 HD2 HIS 14 HD2 HIS 14 46.165 51.649 14.291 95 HE1 HIS 14 HE1 HIS 14 43.299 50.284 16.998 96 HE2 HIS 14 HE2 HIS 14 44.207 52.445 15.921 97 H GLN 15 H GLN 15 47.278 49.308 10.766 98 HA GLN 15 HA GLN 15 48.985 46.918 10.075 99 HB2 GLN 15 2HB GLN 15 47.593 48.255 8.400 100 HB3 GLN 15 1HB GLN 15 48.691 49.613 8.615 101 HG2 GLN 15 2HG GLN 15 50.610 48.091 7.742 102 HG3 GLN 15 1HG GLN 15 49.439 46.800 7.534 103 HE21 GLN 15 2HE2 GLN 15 50.601 49.773 6.186 104 HE22 GLN 15 1HE2 GLN 15 49.499 49.699 4.710 105 H LYS 16 H LYS 16 51.150 46.883 10.135 106 HA LYS 16 HA LYS 16 52.755 49.148 11.463 107 HB2 LYS 16 2HB LYS 16 52.528 47.019 12.868 108 HB3 LYS 16 1HB LYS 16 53.301 46.102 11.587 109 HG2 LYS 16 1HG LYS 16 55.403 47.598 11.886 110 HG3 LYS 16 2HG LYS 16 54.550 48.451 13.157 111 HD2 LYS 16 2HD LYS 16 55.831 46.970 14.437 112 HD3 LYS 16 1HD LYS 16 54.280 46.191 14.408 113 HE2 LYS 16 1HE LYS 16 55.792 44.401 14.079 114 HE3 LYS 16 2HE LYS 16 55.150 44.665 12.465 115 HZ1 LYS 16 2HZ LYS 16 57.214 46.019 11.965 116 HZ2 LYS 16 3HZ LYS 16 57.647 44.506 12.444 117 HZ3 LYS 16 1HZ LYS 16 57.785 45.773 13.479 118 H LEU 17 H LEU 17 53.556 50.154 9.627 119 HA LEU 17 HA LEU 17 53.420 49.046 7.057 120 HB2 LEU 17 1HB LEU 17 53.582 51.531 7.765 121 HB3 LEU 17 2HB LEU 17 55.308 51.371 7.607 122 HG LEU 17 HG LEU 17 54.311 52.450 5.689 123 HD11 LEU 17 2HD1 LEU 17 56.327 51.046 5.167 124 HD12 LEU 17 3HD1 LEU 17 55.245 51.249 3.776 125 HD13 LEU 17 1HD1 LEU 17 55.264 49.709 4.659 126 HD21 LEU 17 1HD2 LEU 17 52.668 49.936 5.008 127 HD22 LEU 17 2HD2 LEU 17 52.719 51.466 4.111 128 HD23 LEU 17 3HD2 LEU 17 52.017 51.436 5.736 129 H VAL 18 H VAL 18 54.304 47.197 6.754 130 HA VAL 18 HA VAL 18 57.138 47.119 5.743 131 HB VAL 18 HB VAL 18 57.520 44.770 6.528 132 HG11 VAL 18 1HG2 VAL 18 58.757 46.703 7.548 133 HG12 VAL 18 2HG2 VAL 18 58.550 45.363 8.692 134 HG13 VAL 18 3HG2 VAL 18 57.530 46.820 8.826 135 HG21 VAL 18 1HG1 VAL 18 55.434 45.239 8.755 136 HG22 VAL 18 2HG1 VAL 18 55.254 44.098 7.413 137 HG23 VAL 18 3HG1 VAL 18 56.541 43.850 8.598 138 H PHE 19 H PHE 19 56.355 47.186 3.707 139 HA PHE 19 HA PHE 19 53.764 46.025 2.953 140 HB2 PHE 19 1HB PHE 19 54.867 48.139 1.977 141 HB3 PHE 19 2HB PHE 19 55.934 47.109 1.058 142 HD1 PHE 19 HD1 PHE 19 54.997 45.736 -0.866 143 HD2 PHE 19 HD2 PHE 19 52.447 48.338 1.425 144 HE1 PHE 19 HE1 PHE 19 53.280 45.621 -2.628 145 HE2 PHE 19 HE2 PHE 19 50.745 48.215 -0.350 146 HZ PHE 19 HZ PHE 19 51.157 46.861 -2.376 147 H PHE 20 H PHE 20 53.299 44.047 2.282 148 HA PHE 20 HA PHE 20 55.513 42.084 1.472 149 HB2 PHE 20 2HB PHE 20 52.658 41.559 2.494 150 HB3 PHE 20 1HB PHE 20 53.669 40.327 1.799 151 HD1 PHE 20 HD1 PHE 20 55.705 39.472 2.976 152 HD2 PHE 20 HD2 PHE 20 53.239 42.506 4.772 153 HE1 PHE 20 HE1 PHE 20 56.761 39.051 5.162 154 HE2 PHE 20 HE2 PHE 20 54.285 42.054 6.951 155 HZ PHE 20 HZ PHE 20 56.058 40.342 7.150 156 H ALA 21 H ALA 21 55.784 41.936 -0.632 157 HA ALA 21 HA ALA 21 53.794 42.746 -2.689 158 HB1 ALA 21 1HB ALA 21 56.282 43.030 -2.963 159 HB2 ALA 21 2HB ALA 21 56.515 41.262 -2.906 160 HB3 ALA 21 3HB ALA 21 55.633 42.004 -4.256 161 H GLU 22 H GLU 22 52.738 41.421 -4.233 162 HA GLU 22 HA GLU 22 51.796 38.762 -3.282 163 HB2 GLU 22 1HB GLU 22 51.193 40.366 -5.828 164 HB3 GLU 22 2HB GLU 22 50.497 38.799 -5.495 165 HG2 GLU 22 2HG GLU 22 49.349 39.623 -3.437 166 HG3 GLU 22 1HG GLU 22 50.063 41.223 -3.635 167 H ASP 23 H ASP 23 54.085 38.084 -3.255 168 HA ASP 23 HA ASP 23 54.344 35.755 -5.030 169 HB2 ASP 23 1HB ASP 23 55.425 37.546 -6.556 170 HB3 ASP 23 2HB ASP 23 56.681 37.761 -5.346 171 H VAL 24 H VAL 24 54.444 34.568 -3.192 172 HA VAL 24 HA VAL 24 56.786 34.846 -1.310 173 HB VAL 24 HB VAL 24 53.945 34.765 -0.126 174 HG11 VAL 24 1HG1 VAL 24 55.061 34.972 2.112 175 HG12 VAL 24 2HG1 VAL 24 55.663 33.529 1.295 176 HG13 VAL 24 3HG1 VAL 24 56.670 34.993 1.350 177 HG21 VAL 24 1HG2 VAL 24 54.455 37.122 -0.877 178 HG22 VAL 24 2HG2 VAL 24 54.368 37.009 0.883 179 HG23 VAL 24 3HG2 VAL 24 55.953 37.117 0.070 180 H GLY 25 H GLY 25 57.498 32.898 -0.745 181 HA2 GLY 25 1HA GLY 25 57.340 30.452 -0.222 182 HA3 GLY 25 2HA GLY 25 55.777 30.372 -0.999 183 H SER 26 H SER 26 59.229 30.692 -1.628 184 HA SER 26 HA SER 26 58.875 29.244 -4.328 185 HB2 SER 26 1HB SER 26 60.614 31.747 -3.874 186 HB3 SER 26 2HB SER 26 60.625 30.739 -5.320 187 HG SER 26 HG SER 26 58.308 32.040 -4.283 188 H ASN 27 H ASN 27 59.288 27.550 -2.763 189 HA ASN 27 HA ASN 27 61.900 26.395 -3.152 190 HB2 ASN 27 1HB ASN 27 62.461 28.052 -1.150 191 HB3 ASN 27 2HB ASN 27 61.541 26.973 -0.138 192 HD21 ASN 27 1HD2 ASN 27 64.503 27.314 -2.002 193 HD22 ASN 27 2HD2 ASN 27 65.269 25.817 -1.243 194 H LYS 28 H LYS 28 59.129 26.251 -0.874 195 HA LYS 28 HA LYS 28 59.160 23.303 -0.686 196 HB2 LYS 28 2HB LYS 28 57.185 23.493 0.701 197 HB3 LYS 28 1HB LYS 28 58.377 24.674 1.168 198 HG2 LYS 28 2HG LYS 28 56.971 26.409 -0.255 199 HG3 LYS 28 1HG LYS 28 55.713 25.206 -0.333 200 HD2 LYS 28 2HD LYS 28 56.929 26.236 2.333 201 HD3 LYS 28 1HD LYS 28 55.628 27.069 1.502 202 HE2 LYS 28 1HE LYS 28 54.127 25.031 1.700 203 HE3 LYS 28 2HE LYS 28 55.408 24.158 2.546 204 HZ1 LYS 28 2HZ LYS 28 54.189 26.759 3.516 205 HZ2 LYS 28 3HZ LYS 28 55.369 25.947 4.306 206 HZ3 LYS 28 1HZ LYS 28 53.872 25.287 4.169 207 H GLY 29 H GLY 29 57.679 21.791 -1.414 208 HA2 GLY 29 1HA GLY 29 55.466 22.095 -3.233 209 HA3 GLY 29 2HA GLY 29 56.880 22.066 -4.278 210 H ALA 30 H ALA 30 58.086 20.144 -4.418 211 HA ALA 30 HA ALA 30 57.013 17.636 -3.025 212 HB1 ALA 30 1HB ALA 30 55.981 17.710 -5.308 213 HB2 ALA 30 2HB ALA 30 57.145 16.374 -5.186 214 HB3 ALA 30 3HB ALA 30 57.593 17.858 -6.059 215 H ILE 31 H ILE 31 58.589 16.436 -2.194 216 HA ILE 31 HA ILE 31 61.521 16.852 -3.065 217 HB ILE 31 HB ILE 31 60.486 15.895 -0.352 218 HG12 ILE 31 1HG1 ILE 31 62.104 18.492 -0.784 219 HG13 ILE 31 2HG1 ILE 31 60.373 18.519 -0.972 220 HG21 ILE 31 2HG2 ILE 31 62.886 15.937 0.382 221 HG22 ILE 31 3HG2 ILE 31 63.412 16.431 -1.243 222 HG23 ILE 31 1HG2 ILE 31 62.696 14.825 -0.978 223 HD11 ILE 31 1HD1 ILE 31 61.781 17.704 1.645 224 HD12 ILE 31 2HD1 ILE 31 60.017 17.685 1.381 225 HD13 ILE 31 3HD1 ILE 31 60.913 19.216 1.312 226 H ILE 32 H ILE 32 61.559 15.419 -4.709 227 HA ILE 32 HA ILE 32 61.345 12.483 -4.096 228 HB ILE 32 HB ILE 32 60.097 11.840 -6.143 229 HG12 ILE 32 2HG1 ILE 32 58.729 14.585 -6.239 230 HG13 ILE 32 1HG1 ILE 32 60.138 14.294 -7.219 231 HG21 ILE 32 3HG2 ILE 32 58.391 13.313 -4.051 232 HG22 ILE 32 1HG2 ILE 32 59.073 11.684 -3.880 233 HG23 ILE 32 2HG2 ILE 32 57.846 12.000 -5.119 234 HD11 ILE 32 1HD1 ILE 32 57.552 12.638 -7.446 235 HD12 ILE 32 2HD1 ILE 32 58.156 13.863 -8.583 236 HD13 ILE 32 3HD1 ILE 32 59.044 12.340 -8.375 237 H GLY 33 H GLY 33 62.014 14.642 -6.899 238 HA2 GLY 33 1HA GLY 33 64.822 13.751 -7.086 239 HA3 GLY 33 2HA GLY 33 63.873 12.822 -8.239 240 H LEU 34 H LEU 34 62.797 13.997 -9.945 241 HA LEU 34 HA LEU 34 64.281 16.482 -10.851 242 HB2 LEU 34 1HB LEU 34 62.185 14.746 -12.299 243 HB3 LEU 34 2HB LEU 34 62.868 16.198 -12.967 244 HG LEU 34 HG LEU 34 63.821 14.334 -14.029 245 HD11 LEU 34 2HD1 LEU 34 65.334 16.319 -13.737 246 HD12 LEU 34 3HD1 LEU 34 66.079 15.539 -12.316 247 HD13 LEU 34 1HD1 LEU 34 66.215 14.794 -13.924 248 HD21 LEU 34 1HD2 LEU 34 65.204 12.581 -13.052 249 HD22 LEU 34 2HD2 LEU 34 65.051 13.269 -11.421 250 HD23 LEU 34 3HD2 LEU 34 63.625 12.582 -12.243 251 H MET 35 H MET 35 63.373 18.475 -11.061 252 HA MET 35 HA MET 35 60.662 19.012 -9.772 253 HB2 MET 35 1HB MET 35 62.820 20.208 -9.058 254 HB3 MET 35 2HB MET 35 62.834 21.030 -10.608 255 HG2 MET 35 2HG MET 35 60.585 21.212 -8.476 256 HG3 MET 35 1HG MET 35 61.866 22.396 -8.704 257 HE1 MET 35 2HE MET 35 61.660 24.454 -10.177 258 HE2 MET 35 1HE MET 35 62.261 23.377 -11.481 259 HE3 MET 35 3HE MET 35 60.861 24.445 -11.772 260 H VAL 36 H VAL 36 58.967 19.078 -11.124 261 HA VAL 36 HA VAL 36 59.331 19.714 -14.076 262 HB VAL 36 HB VAL 36 58.249 17.612 -13.494 263 HG11 VAL 36 1HG1 VAL 36 55.911 17.408 -12.762 264 HG12 VAL 36 2HG1 VAL 36 56.819 18.259 -11.499 265 HG13 VAL 36 3HG1 VAL 36 55.743 19.169 -12.581 266 HG21 VAL 36 1HG2 VAL 36 56.496 17.700 -15.217 267 HG22 VAL 36 2HG2 VAL 36 56.403 19.474 -15.112 268 HG23 VAL 36 3HG2 VAL 36 57.876 18.684 -15.727 269 H GLY 37 H GLY 37 59.584 21.841 -14.168 270 HA2 GLY 37 1HA GLY 37 57.221 23.694 -13.866 271 HA3 GLY 37 2HA GLY 37 58.429 23.922 -12.609 272 H GLY 38 H GLY 38 57.868 24.037 -16.048 273 HA2 GLY 38 1HA GLY 38 59.739 26.372 -16.452 274 HA3 GLY 38 2HA GLY 38 60.376 24.871 -17.115 275 H VAL 39 H VAL 39 57.809 27.211 -17.341 276 HA VAL 39 HA VAL 39 57.289 26.378 -20.211 277 HB VAL 39 HB VAL 39 55.620 25.185 -18.857 278 HG11 VAL 39 1HG1 VAL 39 54.219 27.868 -18.248 279 HG12 VAL 39 2HG1 VAL 39 55.076 26.868 -17.046 280 HG13 VAL 39 3HG1 VAL 39 53.635 26.237 -17.864 281 HG21 VAL 39 1HG2 VAL 39 53.691 25.613 -20.326 282 HG22 VAL 39 2HG2 VAL 39 54.340 27.202 -20.800 283 HG23 VAL 39 3HG2 VAL 39 55.191 25.709 -21.263 284 H VAL 40 H VAL 40 56.226 28.995 -17.948 285 HA VAL 40 HA VAL 40 56.818 30.983 -20.187 286 HB VAL 40 HB VAL 40 54.498 30.979 -19.281 287 HG11 VAL 40 1HG1 VAL 40 55.601 32.250 -16.695 288 HG12 VAL 40 2HG1 VAL 40 53.887 32.028 -17.129 289 HG13 VAL 40 3HG1 VAL 40 54.918 30.617 -16.799 290 HG21 VAL 40 1HG2 VAL 40 54.234 33.429 -19.221 291 HG22 VAL 40 2HG2 VAL 40 55.968 33.649 -18.872 292 HG23 VAL 40 3HG2 VAL 40 55.447 32.985 -20.438 293 HCG9 23Y 101 HCG9 EVG 1 47.208 40.472 -0.082 294 HCG3 23Y 101 HCG3 EVG 1 45.804 43.574 2.857 295 HCG7 23Y 101 HCG7 EVG 1 43.487 38.447 0.371 296 HCG4 23Y 101 HCG4 EVG 1 45.213 41.030 4.460 297 HCB1 23Y 101 HCB1 EVG 1 48.318 41.227 4.354 298 HCB2 23Y 101 HCB2 EVG 1 49.727 41.822 6.278 299 HOB3 23Y 101 HOB3 EVG 1 50.113 43.300 7.895 300 HCB4 23Y 101 HCB4 EVG 1 47.429 45.391 6.876 301 HCB5 23Y 101 HCB5 EVG 1 46.013 44.811 4.953 302 HCC1 23Y 101 HCC1 EVG 1 43.141 43.232 2.089 303 HOC2 23Y 101 HOC2 EVG 1 40.283 45.059 3.098 304 HCC3 23Y 101 HCC3 EVG 1 40.564 44.536 5.243 305 HOC4 23Y 101 HOC4 EVG 1 42.525 42.885 7.677 306 HCC5 23Y 101 HCC5 EVG 1 43.921 42.064 6.158 307 HCD1 23Y 101 HCD1 EVG 1 42.559 40.125 3.724 308 HCD2 23Y 101 HCD2 EVG 1 41.710 38.140 1.606 309 HCE1 23Y 101 HCE1 EVG 1 38.734 39.309 6.215 310 HOE2 23Y 101 HOE2 EVG 1 36.891 38.070 6.303 311 HCE3 23Y 101 HCE3 EVG 1 37.628 36.426 3.248 312 HCE4 23Y 101 HCE4 EVG 1 39.663 36.936 1.973 313 HCE6 23Y 101 HCE6 EVG 1 40.752 39.855 4.964 314 HCF5 23Y 101 HCF5 EVG 1 43.499 40.654 -3.997 315 HCF1 23Y 101 HCF1 EVG 1 45.644 40.090 -2.647 316 HCF2 23Y 101 HCF2 EVG 1 45.202 37.079 -3.150 317 HOF2 23Y 101 HOF2 EVG 1 47.344 37.900 -2.655 318 HCF3 23Y 101 HCF3 EVG 1 45.505 39.314 -5.250 319 HOF3 23Y 101 HOF3 EVG 1 44.882 36.552 -5.393 320 HCF4 23Y 101 HCF4 EVG 1 42.965 37.680 -4.598 321 HOF4 23Y 101 HOF4 EVG 1 43.591 39.856 -6.312 322 HF61 23Y 101 HF61 EVG 1 41.096 40.104 -4.449 323 HF62 23Y 101 HF62 EVG 1 41.386 40.620 -2.780 324 HCF6 23Y 101 HCF6 EVG 1 40.063 38.756 -2.881 325 HCG9 23Y 102 HCG9 EVG 2 70.601 26.143 2.181 326 HCG3 23Y 102 HCG3 EVG 2 69.911 22.421 -0.215 327 HCG7 23Y 102 HCG7 EVG 2 66.679 25.749 3.831 328 HCG4 23Y 102 HCG4 EVG 2 67.381 23.986 -0.942 329 HCB1 23Y 102 HCB1 EVG 2 69.728 25.546 -2.286 330 HCB2 23Y 102 HCB2 EVG 2 70.146 25.568 -4.717 331 HOB3 23Y 102 HOB3 EVG 2 70.480 22.558 -6.564 332 HCB4 23Y 102 HCB4 EVG 2 70.176 21.285 -4.762 333 HCB5 23Y 102 HCB5 EVG 2 69.758 21.243 -2.344 334 HCC1 23Y 102 HCC1 EVG 2 68.206 21.381 1.741 335 HOC2 23Y 102 HOC2 EVG 2 67.783 19.397 2.640 336 HCC3 23Y 102 HCC3 EVG 2 65.662 18.440 -0.042 337 HOC4 23Y 102 HOC4 EVG 2 64.985 20.567 -2.802 338 HCC5 23Y 102 HCC5 EVG 2 66.261 22.190 -2.005 339 HCD1 23Y 102 HCD1 EVG 2 65.373 23.389 1.079 340 HCD2 23Y 102 HCD2 EVG 2 64.695 24.837 3.643 341 HCE1 23Y 102 HCE1 EVG 2 61.099 21.623 0.775 342 HOE2 23Y 102 HOE2 EVG 2 59.124 21.539 1.806 343 HCE3 23Y 102 HCE3 EVG 2 60.131 23.814 4.326 344 HCE4 23Y 102 HCE4 EVG 2 62.431 24.664 4.442 345 HCE6 23Y 102 HCE6 EVG 2 63.394 22.433 0.876 346 HCF5 23Y 102 HCF5 EVG 2 66.021 28.061 6.467 347 HCF1 23Y 102 HCF1 EVG 2 68.053 26.579 5.838 348 HCF2 23Y 102 HCF2 EVG 2 69.787 29.085 5.356 349 HOF2 23Y 102 HOF2 EVG 2 69.983 27.054 7.336 350 HCF3 23Y 102 HCF3 EVG 2 68.241 28.392 7.931 351 HOF3 23Y 102 HOF3 EVG 2 68.836 30.580 8.340 352 HCF4 23Y 102 HCF4 EVG 2 67.623 30.653 5.937 353 HOF4 23Y 102 HOF4 EVG 2 65.812 30.819 7.344 354 HF61 23Y 102 HF61 EVG 2 65.600 30.282 4.364 355 HF62 23Y 102 HF62 EVG 2 64.591 30.056 5.801 356 HCF6 23Y 102 HOF6 EVG 2 64.173 27.889 4.995 Start of MODEL 4 1 H1 ASP 1 1H ASP 1 30.346 40.188 23.131 2 H2 ASP 1 2H ASP 1 30.142 38.574 23.378 3 H3 ASP 1 3H ASP 1 31.551 39.304 23.847 4 HA ASP 1 HA ASP 1 30.384 40.673 25.469 5 HB2 ASP 1 1HB ASP 1 28.271 40.694 24.036 6 HB3 ASP 1 2HB ASP 1 27.875 39.079 24.624 7 H ALA 2 H ALA 2 29.247 37.208 25.265 8 HA ALA 2 HA ALA 2 30.912 36.656 27.788 9 HB1 ALA 2 1HB ALA 2 28.462 36.740 28.206 10 HB2 ALA 2 2HB ALA 2 29.107 35.109 28.479 11 HB3 ALA 2 3HB ALA 2 28.178 35.458 27.001 12 H GLU 3 H GLU 3 29.670 34.858 24.891 13 HA GLU 3 HA GLU 3 31.686 32.674 25.382 14 HB2 GLU 3 1HB GLU 3 29.252 32.302 24.591 15 HB3 GLU 3 2HB GLU 3 29.715 32.980 23.041 16 HG2 GLU 3 2HG GLU 3 29.833 30.603 22.748 17 HG3 GLU 3 1HG GLU 3 31.526 31.052 22.896 18 H PHE 4 H PHE 4 33.541 32.420 24.309 19 HA PHE 4 HA PHE 4 34.539 34.607 22.429 20 HB2 PHE 4 2HB PHE 4 36.064 32.331 23.835 21 HB3 PHE 4 1HB PHE 4 36.794 33.421 22.695 22 HD1 PHE 4 HD1 PHE 4 37.223 35.824 23.261 23 HD2 PHE 4 HD2 PHE 4 35.399 33.177 26.120 24 HE1 PHE 4 HE1 PHE 4 37.698 37.431 25.067 25 HE2 PHE 4 HE2 PHE 4 35.875 34.794 27.910 26 HZ PHE 4 HZ PHE 4 37.027 36.921 27.392 27 H ARG 5 H ARG 5 34.554 34.313 20.309 28 HA ARG 5 HA ARG 5 34.618 31.493 19.091 29 HB2 ARG 5 2HB ARG 5 32.274 32.609 19.077 30 HB3 ARG 5 1HB ARG 5 32.945 33.848 18.045 31 HG2 ARG 5 2HG ARG 5 31.911 32.439 16.514 32 HG3 ARG 5 1HG ARG 5 33.586 31.936 16.358 33 HD2 ARG 5 2HD ARG 5 33.076 29.918 17.884 34 HD3 ARG 5 1HD ARG 5 31.402 30.497 18.037 35 HE ARG 5 HE ARG 5 32.297 30.201 15.180 36 HH11 ARG 5 2HH1 ARG 5 30.859 28.424 17.825 37 HH12 ARG 5 1HH1 ARG 5 30.132 27.201 16.678 38 HH21 ARG 5 2HH2 ARG 5 31.455 28.780 13.934 39 HH22 ARG 5 1HH2 ARG 5 30.467 27.405 14.597 40 H HIS 6 H HIS 6 36.516 31.331 18.079 41 HA HIS 6 HA HIS 6 38.021 33.757 17.124 42 HB2 HIS 6 2HB HIS 6 39.935 32.336 16.919 43 HB3 HIS 6 1HB HIS 6 39.196 32.107 18.475 44 HD2 HIS 6 HD2 HIS 6 39.956 30.225 15.179 45 HE1 HIS 6 HE1 HIS 6 38.624 27.350 17.891 46 HE2 HIS 6 HE2 HIS 6 39.682 27.596 15.551 47 H ASP 7 H ASP 7 37.795 34.547 15.088 48 HA ASP 7 HA ASP 7 36.664 32.817 12.906 49 HB2 ASP 7 2HB ASP 7 36.325 34.828 11.646 50 HB3 ASP 7 1HB ASP 7 35.596 34.944 13.234 51 H SER 8 H SER 8 37.943 31.720 11.650 52 HA SER 8 HA SER 8 40.894 32.291 11.429 53 HB2 SER 8 1HB SER 8 41.066 30.118 10.328 54 HB3 SER 8 2HB SER 8 40.148 29.969 11.823 55 HG SER 8 HG SER 8 38.904 30.361 9.281 56 H GLY 9 H GLY 9 41.747 33.432 9.859 57 HA2 GLY 9 1HA GLY 9 41.470 33.221 7.027 58 HA3 GLY 9 2HA GLY 9 40.212 34.380 7.452 59 H TYR 10 H TYR 10 40.816 36.405 8.177 60 HA TYR 10 HA TYR 10 43.758 37.131 8.474 61 HB2 TYR 10 1HB TYR 10 41.862 38.490 6.469 62 HB3 TYR 10 2HB TYR 10 43.322 39.251 7.041 63 HD1 TYR 10 HD1 TYR 10 45.588 38.404 6.358 64 HD2 TYR 10 HD2 TYR 10 42.002 36.554 4.873 65 HE1 TYR 10 HE1 TYR 10 46.891 37.264 4.598 66 HE2 TYR 10 HE2 TYR 10 43.312 35.413 3.139 67 HH TYR 10 HH TYR 10 45.330 35.087 2.269 68 H GLU 11 H GLU 11 43.767 37.955 10.446 69 HA GLU 11 HA GLU 11 41.623 39.986 11.302 70 HB2 GLU 11 1HB GLU 11 41.285 37.664 12.319 71 HB3 GLU 11 2HB GLU 11 42.855 37.817 13.089 72 HG2 GLU 11 1HG GLU 11 41.252 38.388 14.763 73 HG3 GLU 11 2HG GLU 11 41.944 39.938 14.313 74 H VAL 12 H VAL 12 42.980 41.592 10.599 75 HA VAL 12 HA VAL 12 45.124 42.418 12.533 76 HB VAL 12 HB VAL 12 46.410 41.097 10.914 77 HG11 VAL 12 1HG1 VAL 12 45.863 43.223 8.744 78 HG12 VAL 12 2HG1 VAL 12 45.214 41.567 8.737 79 HG13 VAL 12 3HG1 VAL 12 46.968 41.838 8.640 80 HG21 VAL 12 1HG2 VAL 12 48.285 42.669 10.613 81 HG22 VAL 12 2HG2 VAL 12 47.216 44.074 10.836 82 HG23 VAL 12 3HG2 VAL 12 47.522 42.951 12.185 83 H HIS 13 H HIS 13 43.980 44.123 13.195 84 HA HIS 13 HA HIS 13 42.430 45.865 11.351 85 HB2 HIS 13 2HB HIS 13 42.952 46.068 14.381 86 HB3 HIS 13 1HB HIS 13 42.021 47.254 13.506 87 HD2 HIS 13 HD2 HIS 13 39.595 46.519 12.445 88 HE1 HIS 13 HE1 HIS 13 39.256 42.941 14.569 89 HE2 HIS 13 HE2 HIS 13 37.885 44.584 13.142 90 H HIS 14 H HIS 14 45.320 46.639 13.348 91 HA HIS 14 HA HIS 14 45.771 49.129 11.610 92 HB2 HIS 14 1HB HIS 14 46.971 48.376 14.345 93 HB3 HIS 14 2HB HIS 14 47.549 49.703 13.371 94 HD2 HIS 14 HD2 HIS 14 45.908 51.901 13.027 95 HE1 HIS 14 HE1 HIS 14 43.216 50.892 16.047 96 HE2 HIS 14 HE2 HIS 14 43.917 52.852 14.531 97 H GLN 15 H GLN 15 47.128 48.898 9.998 98 HA GLN 15 HA GLN 15 49.181 46.653 9.889 99 HB2 GLN 15 2HB GLN 15 47.503 47.124 8.048 100 HB3 GLN 15 1HB GLN 15 48.273 48.681 7.759 101 HG2 GLN 15 2HG GLN 15 50.453 47.399 7.177 102 HG3 GLN 15 1HG GLN 15 49.577 45.893 7.434 103 HE21 GLN 15 2HE2 GLN 15 50.049 48.510 5.221 104 HE22 GLN 15 1HE2 GLN 15 48.956 47.793 3.922 105 H LYS 16 H LYS 16 50.663 47.391 11.424 106 HA LYS 16 HA LYS 16 52.116 50.064 10.974 107 HB2 LYS 16 2HB LYS 16 52.168 48.102 13.323 108 HB3 LYS 16 1HB LYS 16 53.268 49.441 13.195 109 HG2 LYS 16 1HG LYS 16 50.205 49.858 13.213 110 HG3 LYS 16 2HG LYS 16 51.159 49.719 14.678 111 HD2 LYS 16 1HD LYS 16 52.576 51.677 14.027 112 HD3 LYS 16 2HD LYS 16 51.676 51.912 12.549 113 HE2 LYS 16 1HE LYS 16 50.386 52.029 15.388 114 HE3 LYS 16 2HE LYS 16 51.119 53.427 14.622 115 HZ1 LYS 16 2HZ LYS 16 48.823 51.886 13.423 116 HZ2 LYS 16 3HZ LYS 16 48.694 53.364 14.138 117 HZ3 LYS 16 1HZ LYS 16 49.522 53.194 12.728 118 H LEU 17 H LEU 17 52.900 49.263 8.982 119 HA LEU 17 HA LEU 17 55.689 48.444 9.089 120 HB2 LEU 17 1HB LEU 17 55.784 46.436 7.774 121 HB3 LEU 17 2HB LEU 17 55.024 46.117 9.300 122 HG LEU 17 HG LEU 17 53.356 46.476 6.727 123 HD11 LEU 17 2HD1 LEU 17 55.046 44.661 6.300 124 HD12 LEU 17 3HD1 LEU 17 53.410 43.995 6.432 125 HD13 LEU 17 1HD1 LEU 17 54.546 43.823 7.789 126 HD21 LEU 17 1HD2 LEU 17 52.772 44.930 9.356 127 HD22 LEU 17 2HD2 LEU 17 52.046 46.481 8.885 128 HD23 LEU 17 3HD2 LEU 17 51.696 45.024 7.942 129 H VAL 18 H VAL 18 56.750 49.127 7.221 130 HA VAL 18 HA VAL 18 55.135 50.714 5.242 131 HB VAL 18 HB VAL 18 57.225 51.299 4.098 132 HG11 VAL 18 1HG2 VAL 18 56.185 52.808 5.807 133 HG12 VAL 18 2HG2 VAL 18 57.201 52.085 7.076 134 HG13 VAL 18 3HG2 VAL 18 57.945 52.988 5.734 135 HG21 VAL 18 1HG1 VAL 18 58.793 50.060 6.451 136 HG22 VAL 18 2HG1 VAL 18 58.793 49.443 4.782 137 HG23 VAL 18 3HG1 VAL 18 59.446 51.051 5.126 138 H PHE 19 H PHE 19 53.881 49.176 4.385 139 HA PHE 19 HA PHE 19 54.572 46.728 3.235 140 HB2 PHE 19 2HB PHE 19 52.381 46.647 2.229 141 HB3 PHE 19 1HB PHE 19 52.289 47.355 3.802 142 HD1 PHE 19 HD2 PHE 19 51.717 49.831 4.057 143 HD2 PHE 19 HD1 PHE 19 51.817 47.966 0.183 144 HE1 PHE 19 HE2 PHE 19 50.442 51.711 3.111 145 HE2 PHE 19 HE1 PHE 19 50.540 49.854 -0.749 146 HZ PHE 19 HZ PHE 19 49.853 51.729 0.711 147 H PHE 20 H PHE 20 55.354 45.901 1.418 148 HA PHE 20 HA PHE 20 55.541 47.551 -1.122 149 HB2 PHE 20 2HB PHE 20 57.861 46.988 -1.573 150 HB3 PHE 20 1HB PHE 20 57.681 48.007 -0.184 151 HD1 PHE 20 HD2 PHE 20 58.635 44.573 -1.296 152 HD2 PHE 20 HD1 PHE 20 58.388 47.234 2.065 153 HE1 PHE 20 HE2 PHE 20 60.068 43.058 0.008 154 HE2 PHE 20 HE1 PHE 20 59.813 45.707 3.370 155 HZ PHE 20 HZ PHE 20 60.656 43.616 2.346 156 H ALA 21 H ALA 21 54.489 46.427 -2.590 157 HA ALA 21 HA ALA 21 54.412 43.374 -2.524 158 HB1 ALA 21 1HB ALA 21 52.862 45.398 -4.247 159 HB2 ALA 21 2HB ALA 21 52.287 44.597 -2.757 160 HB3 ALA 21 3HB ALA 21 52.623 43.635 -4.211 161 H GLU 22 H GLU 22 56.739 43.420 -2.871 162 HA GLU 22 HA GLU 22 57.684 43.865 -5.735 163 HB2 GLU 22 2HB GLU 22 59.201 43.170 -3.146 164 HB3 GLU 22 1HB GLU 22 59.975 43.241 -4.707 165 HG2 GLU 22 1HG GLU 22 58.503 45.702 -3.562 166 HG3 GLU 22 2HG GLU 22 60.192 45.346 -3.219 167 H ASP 23 H ASP 23 58.261 42.246 -7.067 168 HA ASP 23 HA ASP 23 57.575 39.373 -6.366 169 HB2 ASP 23 1HB ASP 23 56.788 40.527 -8.502 170 HB3 ASP 23 2HB ASP 23 58.450 40.535 -9.077 171 H VAL 24 H VAL 24 59.143 38.786 -4.980 172 HA VAL 24 HA VAL 24 62.104 39.004 -5.716 173 HB VAL 24 HB VAL 24 60.949 37.882 -3.107 174 HG11 VAL 24 1HG2 VAL 24 63.330 37.135 -3.659 175 HG12 VAL 24 2HG2 VAL 24 63.252 38.132 -2.201 176 HG13 VAL 24 3HG2 VAL 24 63.839 38.832 -3.728 177 HG21 VAL 24 1HG1 VAL 24 60.396 40.349 -3.249 178 HG22 VAL 24 2HG1 VAL 24 61.571 39.999 -1.973 179 HG23 VAL 24 3HG1 VAL 24 62.113 40.724 -3.508 180 H GLY 25 H GLY 25 62.738 37.430 -7.046 181 HA2 GLY 25 1HA GLY 25 61.422 34.729 -7.254 182 HA3 GLY 25 2HA GLY 25 62.784 35.280 -8.198 183 H SER 26 H SER 26 62.121 34.586 -4.793 184 HA SER 26 HA SER 26 64.829 33.402 -4.319 185 HB2 SER 26 2HB SER 26 62.341 33.530 -2.489 186 HB3 SER 26 1HB SER 26 63.932 32.969 -1.977 187 HG SER 26 HG SER 26 64.751 35.072 -2.629 188 H ASN 27 H ASN 27 65.378 31.295 -4.125 189 HA ASN 27 HA ASN 27 63.618 29.199 -5.286 190 HB2 ASN 27 2HB ASN 27 65.473 27.707 -5.192 191 HB3 ASN 27 1HB ASN 27 65.947 29.223 -5.897 192 HD21 ASN 27 2HD2 ASN 27 67.445 30.589 -4.614 193 HD22 ASN 27 1HD2 ASN 27 68.428 29.747 -3.302 194 H LYS 28 H LYS 28 61.908 29.390 -3.824 195 HA LYS 28 HA LYS 28 62.133 28.278 -1.044 196 HB2 LYS 28 2HB LYS 28 59.721 29.236 -2.700 197 HB3 LYS 28 1HB LYS 28 59.550 28.547 -1.099 198 HG2 LYS 28 2HG LYS 28 60.952 30.325 -0.071 199 HG3 LYS 28 1HG LYS 28 61.300 31.029 -1.650 200 HD2 LYS 28 1HD LYS 28 58.849 31.519 -2.000 201 HD3 LYS 28 2HD LYS 28 58.455 30.781 -0.447 202 HE2 LYS 28 1HE LYS 28 59.880 32.541 0.745 203 HE3 LYS 28 2HE LYS 28 60.293 33.265 -0.813 204 HZ1 LYS 28 2HZ LYS 28 57.867 33.694 -1.199 205 HZ2 LYS 28 3HZ LYS 28 58.328 34.414 0.205 206 HZ3 LYS 28 1HZ LYS 28 57.467 33.015 0.240 207 H GLY 29 H GLY 29 60.472 27.014 -3.988 208 HA2 GLY 29 1HA GLY 29 60.353 24.646 -4.628 209 HA3 GLY 29 2HA GLY 29 61.045 24.170 -3.096 210 H ALA 30 H ALA 30 59.621 24.201 -1.242 211 HA ALA 30 HA ALA 30 56.817 23.246 -1.895 212 HB1 ALA 30 1HB ALA 30 56.789 22.487 0.487 213 HB2 ALA 30 2HB ALA 30 58.370 23.246 0.777 214 HB3 ALA 30 3HB ALA 30 58.226 21.874 -0.357 215 H ILE 31 H ILE 31 55.067 24.428 -1.598 216 HA ILE 31 HA ILE 31 55.000 26.794 0.343 217 HB ILE 31 HB ILE 31 53.899 26.938 -2.516 218 HG12 ILE 31 1HG1 ILE 31 56.075 28.834 -1.417 219 HG13 ILE 31 2HG1 ILE 31 56.531 27.318 -2.140 220 HG21 ILE 31 2HG2 ILE 31 53.863 29.114 -0.300 221 HG22 ILE 31 3HG2 ILE 31 52.453 28.176 -0.839 222 HG23 ILE 31 1HG2 ILE 31 53.239 29.298 -1.956 223 HD11 ILE 31 1HD1 ILE 31 54.980 29.487 -3.663 224 HD12 ILE 31 2HD1 ILE 31 56.690 29.027 -3.852 225 HD13 ILE 31 3HD1 ILE 31 55.417 27.880 -4.305 226 H ILE 32 H ILE 32 53.810 25.703 1.816 227 HA ILE 32 HA ILE 32 51.005 24.874 1.109 228 HB ILE 32 HB ILE 32 51.030 22.785 2.451 229 HG12 ILE 32 2HG1 ILE 32 54.031 22.394 1.991 230 HG13 ILE 32 1HG1 ILE 32 53.507 23.232 3.427 231 HG21 ILE 32 3HG2 ILE 32 50.894 22.725 -0.029 232 HG22 ILE 32 1HG2 ILE 32 51.735 21.293 0.595 233 HG23 ILE 32 2HG2 ILE 32 52.661 22.616 -0.151 234 HD11 ILE 32 1HD1 ILE 32 52.628 20.358 2.719 235 HD12 ILE 32 2HD1 ILE 32 52.085 21.275 4.149 236 HD13 ILE 32 3HD1 ILE 32 53.797 20.850 3.964 237 H GLY 33 H GLY 33 49.682 25.761 2.527 238 HA2 GLY 33 1HA GLY 33 50.725 26.996 5.111 239 HA3 GLY 33 2HA GLY 33 49.140 27.243 4.423 240 H LEU 34 H LEU 34 51.118 24.815 6.027 241 HA LEU 34 HA LEU 34 48.629 23.753 7.503 242 HB2 LEU 34 1HB LEU 34 49.543 22.198 5.664 243 HB3 LEU 34 2HB LEU 34 51.044 22.112 6.556 244 HG LEU 34 HG LEU 34 49.629 21.168 8.568 245 HD11 LEU 34 1HD2 LEU 34 47.480 20.035 7.957 246 HD12 LEU 34 2HD2 LEU 34 47.314 21.779 7.697 247 HD13 LEU 34 3HD2 LEU 34 47.553 20.693 6.309 248 HD21 LEU 34 2HD1 LEU 34 49.702 18.855 7.613 249 HD22 LEU 34 3HD1 LEU 34 51.155 19.764 7.162 250 HD23 LEU 34 1HD1 LEU 34 49.861 19.510 5.966 251 H MET 35 H MET 35 48.816 24.498 9.509 252 HA MET 35 HA MET 35 51.503 24.354 11.000 253 HB2 MET 35 1HB MET 35 50.852 26.721 10.237 254 HB3 MET 35 2HB MET 35 49.438 26.626 11.274 255 HG2 MET 35 2HG MET 35 50.986 26.336 13.296 256 HG3 MET 35 1HG MET 35 52.393 26.457 12.227 257 HE1 MET 35 2HE MET 35 52.592 30.193 11.289 258 HE2 MET 35 1HE MET 35 53.528 28.727 11.697 259 HE3 MET 35 3HE MET 35 52.390 28.710 10.313 260 H VAL 36 H VAL 36 51.236 22.785 12.469 261 HA VAL 36 HA VAL 36 48.484 22.143 13.586 262 HB VAL 36 HB VAL 36 49.742 20.342 12.539 263 HG11 VAL 36 1HG2 VAL 36 51.681 20.306 14.941 264 HG12 VAL 36 2HG2 VAL 36 51.602 19.138 13.605 265 HG13 VAL 36 3HG2 VAL 36 52.121 20.805 13.294 266 HG21 VAL 36 1HG1 VAL 36 47.945 19.860 14.215 267 HG22 VAL 36 2HG1 VAL 36 49.163 19.792 15.514 268 HG23 VAL 36 3HG1 VAL 36 49.192 18.602 14.191 269 H GLY 37 H GLY 37 48.130 23.787 14.949 270 HA2 GLY 37 1HA GLY 37 48.059 24.548 17.357 271 HA3 GLY 37 2HA GLY 37 49.633 23.847 17.629 272 H GLY 38 H GLY 38 47.942 26.558 16.206 273 HA2 GLY 38 1HA GLY 38 50.507 28.149 15.710 274 HA3 GLY 38 2HA GLY 38 48.900 28.656 15.258 275 H VAL 39 H VAL 39 47.528 29.531 16.901 276 HA VAL 39 HA VAL 39 48.968 30.640 19.393 277 HB VAL 39 HB VAL 39 46.599 31.888 17.897 278 HG11 VAL 39 1HG2 VAL 39 46.479 32.330 20.390 279 HG12 VAL 39 2HG2 VAL 39 46.801 33.808 19.474 280 HG13 VAL 39 3HG2 VAL 39 48.123 33.005 20.356 281 HG21 VAL 39 1HG1 VAL 39 48.798 32.291 16.684 282 HG22 VAL 39 2HG1 VAL 39 48.125 33.788 17.344 283 HG23 VAL 39 3HG1 VAL 39 49.490 32.985 18.163 284 H VAL 40 H VAL 40 48.522 29.085 20.868 285 HA VAL 40 HA VAL 40 45.664 28.447 21.582 286 HB VAL 40 HB VAL 40 47.757 26.229 21.131 287 HG11 VAL 40 1HG1 VAL 40 46.006 24.589 21.833 288 HG12 VAL 40 2HG1 VAL 40 44.846 25.909 22.144 289 HG13 VAL 40 3HG1 VAL 40 46.310 25.748 23.137 290 HG21 VAL 40 1HG2 VAL 40 46.198 25.239 19.429 291 HG22 VAL 40 2HG2 VAL 40 46.666 26.876 18.941 292 HG23 VAL 40 3HG2 VAL 40 45.060 26.597 19.645 293 HCG9 23Y 101 HCG9 EVG 1 47.482 46.626 1.186 294 HCG3 23Y 101 HCG3 EVG 1 46.047 44.304 4.737 295 HCG7 23Y 101 HCG7 EVG 1 43.555 46.450 -0.463 296 HCG4 23Y 101 HCG4 EVG 1 44.990 42.488 2.507 297 HCB1 23Y 101 HCB1 EVG 1 46.081 42.334 6.192 298 HCB2 23Y 101 HCB2 EVG 1 47.292 40.308 6.891 299 HOB3 23Y 101 HOB3 EVG 1 48.808 38.780 6.338 300 HCB4 23Y 101 HCB4 EVG 1 49.331 40.204 3.130 301 HCB5 23Y 101 HCB5 EVG 1 48.126 42.233 2.411 302 HCC1 23Y 101 HCC1 EVG 1 43.571 41.165 3.856 303 HOC2 23Y 101 HOC2 EVG 1 42.010 40.017 4.893 304 HCC3 23Y 101 HCC3 EVG 1 40.609 42.909 6.393 305 HOC4 23Y 101 HOC4 EVG 1 41.899 46.167 5.829 306 HCC5 23Y 101 HCC5 EVG 1 43.502 45.417 4.486 307 HCD1 23Y 101 HCD1 EVG 1 42.383 43.474 1.705 308 HCD2 23Y 101 HCD2 EVG 1 41.603 45.455 -0.444 309 HCE1 23Y 101 HCE1 EVG 1 38.179 41.489 1.572 310 HOE2 23Y 101 HOE2 EVG 1 35.800 42.685 -0.770 311 HCE3 23Y 101 HCE3 EVG 1 37.184 44.241 -1.552 312 HCE4 23Y 101 HCE4 EVG 1 39.405 45.252 -1.395 313 HCE6 23Y 101 HCE6 EVG 1 40.410 42.481 1.761 314 HCF5 23Y 101 HCF5 EVG 1 47.765 46.003 -3.701 315 HCF1 23Y 101 HCF1 EVG 1 45.683 46.888 -2.455 316 HCF2 23Y 101 HCF2 EVG 1 47.118 49.550 -1.858 317 HOF2 23Y 101 HOF2 EVG 1 45.459 50.281 -3.291 318 HCF3 23Y 101 HCF3 EVG 1 46.652 48.243 -4.611 319 HOF3 23Y 101 HOF3 EVG 1 48.136 49.932 -5.152 320 HCF4 23Y 101 HCF4 EVG 1 49.334 48.606 -3.137 321 HOF4 23Y 101 HOF4 EVG 1 50.000 47.331 -4.933 322 HF61 23Y 101 HF61 EVG 1 50.267 45.681 -3.652 323 HF62 23Y 101 HF62 EVG 1 49.425 44.854 -2.344 324 HCF6 23Y 101 HCF6 EVG 1 49.882 46.724 -1.031 325 HCG9 23Y 102 HCG9 EVG 2 49.270 31.469 -10.409 326 HCG3 23Y 102 HCG3 EVG 2 49.768 35.826 -9.533 327 HCG7 23Y 102 HCG7 EVG 2 52.532 30.621 -7.780 328 HCG4 23Y 102 HCG4 EVG 2 52.654 35.108 -10.270 329 HCB1 23Y 102 HCB1 EVG 2 51.046 34.856 -12.928 330 HCB2 23Y 102 HCB2 EVG 2 51.222 36.457 -14.798 331 HOB3 23Y 102 HOB3 EVG 2 50.756 39.938 -14.298 332 HCB4 23Y 102 HCB4 EVG 2 50.361 39.691 -12.123 333 HCB5 23Y 102 HCB5 EVG 2 50.184 38.114 -10.252 334 HCC1 23Y 102 HCC1 EVG 2 50.727 35.289 -6.954 335 HOC2 23Y 102 HOC2 EVG 2 51.471 37.583 -4.370 336 HCC3 23Y 102 HCC3 EVG 2 52.986 38.664 -5.611 337 HOC4 23Y 102 HOC4 EVG 2 55.071 38.632 -8.427 338 HCC5 23Y 102 HCC5 EVG 2 53.627 37.143 -9.543 339 HCD1 23Y 102 HCD1 EVG 2 53.970 34.197 -7.841 340 HCD2 23Y 102 HCD2 EVG 2 54.309 31.400 -6.750 341 HCE1 23Y 102 HCE1 EVG 2 57.760 35.677 -5.590 342 HOE2 23Y 102 HOE2 EVG 2 59.586 34.930 -4.451 343 HCE3 23Y 102 HCE3 EVG 2 58.260 31.662 -4.184 344 HCE4 23Y 102 HCE4 EVG 2 56.236 30.975 -5.382 345 HCE6 23Y 102 HCE6 EVG 2 55.744 35.021 -6.801 346 HCF5 23Y 102 HCF5 EVG 2 53.663 27.128 -9.845 347 HCF1 23Y 102 HCF1 EVG 2 50.836 28.695 -7.318 348 HCF2 23Y 102 HCF2 EVG 2 48.934 27.530 -8.598 349 HOF2 23Y 102 HOF2 EVG 2 49.938 26.502 -6.894 350 HCF3 23Y 102 HCF3 EVG 2 49.654 25.754 -10.261 351 HOF3 23Y 102 HOF3 EVG 2 49.995 28.503 -10.662 352 HCF4 23Y 102 HCF4 EVG 2 51.856 26.163 -11.485 353 HOF4 23Y 102 HOF4 EVG 2 51.802 25.474 -8.755 354 HF61 23Y 102 HF61 EVG 2 53.630 29.408 -10.726 355 HF62 23Y 102 HF62 EVG 2 53.456 28.168 -11.968 356 HCF6 23Y 102 HOF6 EVG 2 51.234 28.591 -12.038 Start of MODEL 5 1 H1 ASP 1 1H ASP 1 26.230 21.067 8.464 2 H2 ASP 1 2H ASP 1 24.894 21.940 8.864 3 H3 ASP 1 3H ASP 1 24.786 20.712 7.730 4 HA ASP 1 HA ASP 1 24.767 22.906 6.643 5 HB2 ASP 1 2HB ASP 1 27.417 23.244 8.212 6 HB3 ASP 1 1HB ASP 1 26.932 24.289 6.888 7 H ALA 2 H ALA 2 25.136 22.502 4.538 8 HA ALA 2 HA ALA 2 26.992 20.326 3.683 9 HB1 ALA 2 1HB ALA 2 24.709 20.544 2.727 10 HB2 ALA 2 2HB ALA 2 25.111 22.143 2.039 11 HB3 ALA 2 3HB ALA 2 25.934 20.681 1.453 12 H GLU 3 H GLU 3 27.016 23.884 3.046 13 HA GLU 3 HA GLU 3 29.619 23.625 1.529 14 HB2 GLU 3 2HB GLU 3 27.761 26.004 2.104 15 HB3 GLU 3 1HB GLU 3 29.394 26.265 1.532 16 HG2 GLU 3 2HG GLU 3 28.998 24.928 -0.541 17 HG3 GLU 3 1HG GLU 3 27.353 24.555 -0.023 18 H PHE 4 H PHE 4 31.530 24.334 2.165 19 HA PHE 4 HA PHE 4 32.106 24.459 5.110 20 HB2 PHE 4 1HB PHE 4 34.033 24.523 2.701 21 HB3 PHE 4 2HB PHE 4 34.534 24.468 4.364 22 HD1 PHE 4 HD2 PHE 4 34.263 22.377 5.741 23 HD2 PHE 4 HD1 PHE 4 33.041 22.480 1.617 24 HE1 PHE 4 HE2 PHE 4 34.164 19.915 5.696 25 HE2 PHE 4 HE1 PHE 4 32.932 20.025 1.594 26 HZ PHE 4 HZ PHE 4 33.499 18.736 3.626 27 H ARG 5 H ARG 5 32.409 26.263 6.233 28 HA ARG 5 HA ARG 5 33.220 28.886 4.859 29 HB2 ARG 5 1HB ARG 5 30.693 28.721 5.412 30 HB3 ARG 5 2HB ARG 5 31.135 28.627 7.098 31 HG2 ARG 5 2HG ARG 5 30.590 30.870 6.864 32 HG3 ARG 5 1HG ARG 5 32.342 30.945 6.789 33 HD2 ARG 5 2HD ARG 5 32.179 31.104 4.217 34 HD3 ARG 5 1HD ARG 5 30.411 30.981 4.353 35 HE ARG 5 HE ARG 5 31.597 33.170 6.048 36 HH11 ARG 5 1HH1 ARG 5 30.336 32.515 2.855 37 HH12 ARG 5 2HH1 ARG 5 29.995 34.288 2.570 38 HH21 ARG 5 2HH2 ARG 5 31.195 35.162 5.663 39 HH22 ARG 5 1HH2 ARG 5 30.467 35.691 4.083 40 H HIS 6 H HIS 6 35.179 29.328 5.605 41 HA HIS 6 HA HIS 6 36.151 28.384 8.320 42 HB2 HIS 6 2HB HIS 6 37.575 29.721 5.929 43 HB3 HIS 6 1HB HIS 6 38.366 29.446 7.457 44 HD2 HIS 6 HD2 HIS 6 38.949 26.892 8.208 45 HE1 HIS 6 HE1 HIS 6 38.181 25.138 4.501 46 HE2 HIS 6 HE2 HIS 6 39.275 24.656 6.787 47 H ASP 7 H ASP 7 35.951 29.655 10.072 48 HA ASP 7 HA ASP 7 35.200 32.515 9.843 49 HB2 ASP 7 2HB ASP 7 34.795 32.474 12.207 50 HB3 ASP 7 1HB ASP 7 34.065 31.082 11.441 51 H SER 8 H SER 8 38.024 31.027 11.482 52 HA SER 8 HA SER 8 39.405 33.672 11.650 53 HB2 SER 8 2HB SER 8 39.597 31.951 13.444 54 HB3 SER 8 1HB SER 8 40.449 30.857 12.348 55 HG SER 8 HG SER 8 42.058 32.533 12.109 56 H GLY 9 H GLY 9 40.816 34.510 10.283 57 HA2 GLY 9 1HA GLY 9 42.746 32.989 8.604 58 HA3 GLY 9 2HA GLY 9 41.404 33.542 7.608 59 H TYR 10 H TYR 10 41.098 35.815 7.387 60 HA TYR 10 HA TYR 10 43.623 37.480 7.777 61 HB2 TYR 10 1HB TYR 10 42.904 38.962 6.091 62 HB3 TYR 10 2HB TYR 10 42.902 37.338 5.491 63 HD1 TYR 10 HD2 TYR 10 40.670 36.153 5.010 64 HD2 TYR 10 HD1 TYR 10 40.826 40.303 6.135 65 HE1 TYR 10 HE2 TYR 10 38.375 36.470 4.191 66 HE2 TYR 10 HE1 TYR 10 38.520 40.590 5.341 67 HH TYR 10 HH TYR 10 36.708 37.915 3.885 68 H GLU 11 H GLU 11 43.494 37.903 9.914 69 HA GLU 11 HA GLU 11 41.329 39.901 10.831 70 HB2 GLU 11 2HB GLU 11 41.102 37.540 11.803 71 HB3 GLU 11 1HB GLU 11 42.675 37.740 12.551 72 HG2 GLU 11 2HG GLU 11 41.094 38.235 14.276 73 HG3 GLU 11 1HG GLU 11 41.677 39.826 13.811 74 H VAL 12 H VAL 12 42.544 41.656 10.326 75 HA VAL 12 HA VAL 12 44.893 42.283 12.102 76 HB VAL 12 HB VAL 12 46.264 43.372 10.347 77 HG11 VAL 12 1HG2 VAL 12 46.119 40.319 9.987 78 HG12 VAL 12 2HG2 VAL 12 47.519 41.368 9.662 79 HG13 VAL 12 3HG2 VAL 12 46.936 41.158 11.321 80 HG21 VAL 12 1HG1 VAL 12 44.640 43.474 8.403 81 HG22 VAL 12 2HG1 VAL 12 44.787 41.710 8.213 82 HG23 VAL 12 3HG1 VAL 12 46.197 42.774 7.988 83 H HIS 13 H HIS 13 44.167 43.977 13.139 84 HA HIS 13 HA HIS 13 42.137 45.848 11.973 85 HB2 HIS 13 2HB HIS 13 43.495 45.814 14.738 86 HB3 HIS 13 1HB HIS 13 42.338 47.024 14.247 87 HD2 HIS 13 HD2 HIS 13 42.480 43.311 15.316 88 HE1 HIS 13 HE1 HIS 13 38.448 44.267 14.879 89 HE2 HIS 13 HE2 HIS 13 40.003 42.386 15.664 90 H HIS 14 H HIS 14 45.532 46.388 13.042 91 HA HIS 14 HA HIS 14 45.666 48.761 11.116 92 HB2 HIS 14 2HB HIS 14 46.573 48.845 14.071 93 HB3 HIS 14 1HB HIS 14 47.106 49.999 12.873 94 HD2 HIS 14 HD2 HIS 14 45.296 51.804 11.882 95 HE1 HIS 14 HE1 HIS 14 42.331 51.077 14.725 96 HE2 HIS 14 HE2 HIS 14 43.004 52.745 12.877 97 H GLN 15 H GLN 15 47.380 48.589 9.827 98 HA GLN 15 HA GLN 15 49.510 46.491 10.274 99 HB2 GLN 15 2HB GLN 15 49.062 48.503 7.978 100 HB3 GLN 15 1HB GLN 15 50.427 47.414 8.046 101 HG2 GLN 15 2HG GLN 15 48.884 45.394 8.001 102 HG3 GLN 15 1HG GLN 15 47.494 46.468 7.923 103 HE21 GLN 15 2HE2 GLN 15 50.093 45.113 6.065 104 HE22 GLN 15 1HE2 GLN 15 49.587 45.928 4.498 105 H LYS 16 H LYS 16 51.483 46.900 11.113 106 HA LYS 16 HA LYS 16 52.447 49.777 11.511 107 HB2 LYS 16 2HB LYS 16 54.010 49.076 13.079 108 HB3 LYS 16 1HB LYS 16 52.450 48.409 13.490 109 HG2 LYS 16 1HG LYS 16 53.210 46.126 12.620 110 HG3 LYS 16 2HG LYS 16 54.787 46.816 12.238 111 HD2 LYS 16 1HD LYS 16 55.056 47.468 14.732 112 HD3 LYS 16 2HD LYS 16 53.498 46.743 15.047 113 HE2 LYS 16 1HE LYS 16 54.982 45.050 15.736 114 HE3 LYS 16 2HE LYS 16 54.420 44.470 14.176 115 HZ1 LYS 16 2HZ LYS 16 57.035 45.935 14.635 116 HZ2 LYS 16 3HZ LYS 16 56.534 45.404 13.170 117 HZ3 LYS 16 1HZ LYS 16 56.906 44.322 14.353 118 H LEU 17 H LEU 17 52.283 49.589 9.117 119 HA LEU 17 HA LEU 17 54.789 50.166 7.882 120 HB2 LEU 17 2HB LEU 17 55.146 48.413 6.183 121 HB3 LEU 17 1HB LEU 17 55.467 47.902 7.809 122 HG LEU 17 HG LEU 17 53.165 46.675 7.781 123 HD11 LEU 17 1HD2 LEU 17 53.484 47.076 4.713 124 HD12 LEU 17 2HD2 LEU 17 52.136 47.682 5.697 125 HD13 LEU 17 3HD2 LEU 17 52.361 45.945 5.498 126 HD21 LEU 17 2HD1 LEU 17 55.402 45.727 5.855 127 HD22 LEU 17 3HD1 LEU 17 54.182 44.690 6.627 128 HD23 LEU 17 1HD1 LEU 17 55.400 45.508 7.620 129 H VAL 18 H VAL 18 54.432 51.104 5.783 130 HA VAL 18 HA VAL 18 51.608 51.926 5.283 131 HB VAL 18 HB VAL 18 52.395 53.132 3.264 132 HG11 VAL 18 1HG2 VAL 18 52.163 54.295 5.465 133 HG12 VAL 18 2HG2 VAL 18 53.429 55.013 4.456 134 HG13 VAL 18 3HG2 VAL 18 53.874 53.971 5.828 135 HG21 VAL 18 1HG1 VAL 18 54.497 51.863 2.671 136 HG22 VAL 18 2HG1 VAL 18 54.762 53.610 2.814 137 HG23 VAL 18 3HG1 VAL 18 55.298 52.524 4.117 138 H PHE 19 H PHE 19 50.138 50.975 4.044 139 HA PHE 19 HA PHE 19 50.595 48.376 2.775 140 HB2 PHE 19 1HB PHE 19 48.421 49.098 3.789 141 HB3 PHE 19 2HB PHE 19 48.195 50.287 2.539 142 HD1 PHE 19 HD1 PHE 19 48.296 46.582 3.195 143 HD2 PHE 19 HD2 PHE 19 47.314 49.627 0.332 144 HE1 PHE 19 HE1 PHE 19 47.061 44.931 1.867 145 HE2 PHE 19 HE2 PHE 19 46.084 47.956 -0.999 146 HZ PHE 19 HZ PHE 19 45.948 45.607 -0.226 147 H PHE 20 H PHE 20 51.529 47.988 0.887 148 HA PHE 20 HA PHE 20 51.700 50.124 -1.282 149 HB2 PHE 20 2HB PHE 20 53.792 48.887 -0.412 150 HB3 PHE 20 1HB PHE 20 53.191 47.436 -1.172 151 HD1 PHE 20 HD2 PHE 20 54.602 50.824 -1.748 152 HD2 PHE 20 HD1 PHE 20 53.144 47.279 -3.710 153 HE1 PHE 20 HE2 PHE 20 55.643 51.550 -3.859 154 HE2 PHE 20 HE1 PHE 20 54.185 48.015 -5.802 155 HZ PHE 20 HZ PHE 20 55.436 50.153 -5.890 156 H ALA 21 H ALA 21 50.048 50.082 -2.639 157 HA ALA 21 HA ALA 21 48.475 47.610 -3.360 158 HB1 ALA 21 1HB ALA 21 47.165 49.203 -4.768 159 HB2 ALA 21 2HB ALA 21 48.321 50.507 -4.432 160 HB3 ALA 21 3HB ALA 21 47.332 49.825 -3.112 161 H GLU 22 H GLU 22 49.354 46.199 -4.767 162 HA GLU 22 HA GLU 22 51.700 46.771 -6.427 163 HB2 GLU 22 1HB GLU 22 49.881 44.325 -6.193 164 HB3 GLU 22 2HB GLU 22 51.134 44.385 -7.400 165 HG2 GLU 22 2HG GLU 22 51.824 44.832 -4.428 166 HG3 GLU 22 1HG GLU 22 51.774 43.240 -5.179 167 H ASP 23 H ASP 23 51.141 48.442 -7.661 168 HA ASP 23 HA ASP 23 50.127 47.797 -10.441 169 HB2 ASP 23 1HB ASP 23 48.856 50.072 -8.765 170 HB3 ASP 23 2HB ASP 23 48.767 49.976 -10.516 171 H VAL 24 H VAL 24 52.220 48.028 -11.050 172 HA VAL 24 HA VAL 24 53.337 50.817 -11.229 173 HB VAL 24 HB VAL 24 54.211 50.105 -9.075 174 HG11 VAL 24 1HG1 VAL 24 55.941 47.950 -10.447 175 HG12 VAL 24 2HG1 VAL 24 54.550 47.624 -9.387 176 HG13 VAL 24 3HG1 VAL 24 55.983 48.437 -8.736 177 HG21 VAL 24 1HG2 VAL 24 55.481 51.760 -10.469 178 HG22 VAL 24 2HG2 VAL 24 56.477 50.442 -11.138 179 HG23 VAL 24 3HG2 VAL 24 56.545 50.828 -9.402 180 H GLY 25 H GLY 25 53.062 50.791 -13.346 181 HA2 GLY 25 1HA GLY 25 53.963 50.460 -15.636 182 HA3 GLY 25 2HA GLY 25 54.835 49.037 -15.119 183 H SER 26 H SER 26 53.602 47.076 -14.824 184 HA SER 26 HA SER 26 51.281 46.829 -16.770 185 HB2 SER 26 2HB SER 26 51.704 44.415 -16.730 186 HB3 SER 26 1HB SER 26 53.171 45.306 -17.128 187 HG SER 26 HG SER 26 53.597 43.689 -15.595 188 H ASN 27 H ASN 27 49.252 46.428 -16.146 189 HA ASN 27 HA ASN 27 48.525 46.213 -13.201 190 HB2 ASN 27 1HB ASN 27 47.405 47.837 -14.761 191 HB3 ASN 27 2HB ASN 27 46.743 46.515 -15.706 192 HD21 ASN 27 1HD2 ASN 27 45.015 45.251 -14.664 193 HD22 ASN 27 2HD2 ASN 27 44.165 46.008 -13.205 194 H LYS 28 H LYS 28 49.208 44.176 -12.674 195 HA LYS 28 HA LYS 28 48.295 41.720 -14.216 196 HB2 LYS 28 2HB LYS 28 50.111 41.995 -11.752 197 HB3 LYS 28 1HB LYS 28 49.603 40.448 -12.400 198 HG2 LYS 28 2HG LYS 28 50.714 40.934 -14.612 199 HG3 LYS 28 1HG LYS 28 51.108 42.550 -14.072 200 HD2 LYS 28 2HD LYS 28 53.140 41.481 -13.790 201 HD3 LYS 28 1HD LYS 28 52.520 41.507 -12.149 202 HE2 LYS 28 1HE LYS 28 51.765 39.057 -12.442 203 HE3 LYS 28 2HE LYS 28 52.389 39.086 -14.092 204 HZ1 LYS 28 2HZ LYS 28 54.103 38.171 -12.566 205 HZ2 LYS 28 3HZ LYS 28 54.660 39.588 -13.167 206 HZ3 LYS 28 1HZ LYS 28 54.093 39.525 -11.630 207 H GLY 29 H GLY 29 47.895 42.678 -10.740 208 HA2 GLY 29 1HA GLY 29 45.905 42.478 -9.378 209 HA3 GLY 29 2HA GLY 29 44.993 41.980 -10.782 210 H ALA 30 H ALA 30 45.093 39.736 -11.364 211 HA ALA 30 HA ALA 30 45.295 37.851 -8.978 212 HB1 ALA 30 1HB ALA 30 43.992 36.284 -10.441 213 HB2 ALA 30 2HB ALA 30 44.071 37.438 -11.791 214 HB3 ALA 30 3HB ALA 30 43.175 37.854 -10.306 215 H ILE 31 H ILE 31 46.838 36.316 -8.821 216 HA ILE 31 HA ILE 31 48.987 36.104 -10.942 217 HB ILE 31 HB ILE 31 49.652 36.510 -8.651 218 HG12 ILE 31 2HG1 ILE 31 50.853 33.814 -9.473 219 HG13 ILE 31 1HG1 ILE 31 51.042 35.212 -10.496 220 HG21 ILE 31 2HG2 ILE 31 48.044 35.086 -7.325 221 HG22 ILE 31 3HG2 ILE 31 48.860 33.618 -7.904 222 HG23 ILE 31 1HG2 ILE 31 49.729 34.777 -6.879 223 HD11 ILE 31 1HD1 ILE 31 52.160 36.513 -8.634 224 HD12 ILE 31 2HD1 ILE 31 53.023 35.016 -9.046 225 HD13 ILE 31 3HD1 ILE 31 52.027 35.084 -7.576 226 H ILE 32 H ILE 32 47.804 35.164 -12.581 227 HA ILE 32 HA ILE 32 46.708 32.371 -12.226 228 HB ILE 32 HB ILE 32 46.106 32.374 -14.609 229 HG12 ILE 32 2HG1 ILE 32 46.492 35.400 -14.840 230 HG13 ILE 32 1HG1 ILE 32 47.826 34.347 -15.244 231 HG21 ILE 32 3HG2 ILE 32 44.102 33.816 -14.370 232 HG22 ILE 32 1HG2 ILE 32 44.444 32.956 -12.860 233 HG23 ILE 32 2HG2 ILE 32 44.851 34.681 -13.006 234 HD11 ILE 32 1HD1 ILE 32 46.438 33.132 -16.970 235 HD12 ILE 32 2HD1 ILE 32 46.576 34.870 -17.297 236 HD13 ILE 32 3HD1 ILE 32 45.066 34.215 -16.625 237 H GLY 33 H GLY 33 47.734 30.555 -12.668 238 HA2 GLY 33 1HA GLY 33 50.621 30.568 -13.629 239 HA3 GLY 33 2HA GLY 33 49.755 29.190 -12.993 240 H LEU 34 H LEU 34 49.973 31.278 -15.818 241 HA LEU 34 HA LEU 34 48.722 29.199 -17.637 242 HB2 LEU 34 1HB LEU 34 48.238 31.719 -17.781 243 HB3 LEU 34 2HB LEU 34 49.888 31.953 -18.310 244 HG LEU 34 HG LEU 34 49.320 30.337 -20.313 245 HD11 LEU 34 2HD1 LEU 34 47.137 29.390 -19.404 246 HD12 LEU 34 3HD1 LEU 34 46.413 31.015 -19.458 247 HD13 LEU 34 1HD1 LEU 34 46.905 30.204 -20.960 248 HD21 LEU 34 1HD2 LEU 34 48.306 32.215 -21.619 249 HD22 LEU 34 2HD2 LEU 34 47.887 33.073 -20.116 250 HD23 LEU 34 3HD2 LEU 34 49.592 32.816 -20.558 251 H MET 35 H MET 35 49.957 27.608 -18.390 252 HA MET 35 HA MET 35 52.830 28.118 -19.326 253 HB2 MET 35 1HB MET 35 51.921 25.764 -17.553 254 HB3 MET 35 2HB MET 35 53.387 25.722 -18.508 255 HG2 MET 35 2HG MET 35 52.856 27.783 -16.281 256 HG3 MET 35 1HG MET 35 53.845 26.331 -16.118 257 HE1 MET 35 2HE MET 35 55.899 25.903 -18.219 258 HE2 MET 35 1HE MET 35 56.372 26.299 -16.537 259 HE3 MET 35 3HE MET 35 57.147 27.143 -17.907 260 H VAL 36 H VAL 36 52.942 27.606 -21.408 261 HA VAL 36 HA VAL 36 50.824 25.849 -22.685 262 HB VAL 36 HB VAL 36 51.204 28.072 -23.601 263 HG11 VAL 36 1HG1 VAL 36 53.730 28.302 -23.467 264 HG12 VAL 36 2HG1 VAL 36 53.893 27.116 -24.779 265 HG13 VAL 36 3HG1 VAL 36 53.079 28.667 -25.075 266 HG21 VAL 36 1HG2 VAL 36 51.038 27.439 -25.971 267 HG22 VAL 36 2HG2 VAL 36 51.759 25.843 -25.652 268 HG23 VAL 36 3HG2 VAL 36 50.164 26.261 -24.980 269 H GLY 37 H GLY 37 51.368 23.874 -21.969 270 HA2 GLY 37 1HA GLY 37 53.437 22.279 -23.448 271 HA3 GLY 37 2HA GLY 37 53.950 22.635 -21.805 272 H GLY 38 H GLY 38 51.473 21.090 -23.715 273 HA2 GLY 38 1HA GLY 38 51.153 18.717 -21.982 274 HA3 GLY 38 2HA GLY 38 49.905 19.884 -21.556 275 H VAL 39 H VAL 39 51.150 17.873 -24.140 276 HA VAL 39 HA VAL 39 48.704 18.405 -25.875 277 HB VAL 39 HB VAL 39 50.914 18.575 -26.908 278 HG11 VAL 39 1HG2 VAL 39 51.200 15.504 -26.764 279 HG12 VAL 39 2HG2 VAL 39 52.178 16.653 -25.827 280 HG13 VAL 39 3HG2 VAL 39 52.275 16.646 -27.599 281 HG21 VAL 39 1HG1 VAL 39 50.332 17.453 -29.019 282 HG22 VAL 39 2HG1 VAL 39 49.171 16.386 -28.191 283 HG23 VAL 39 3HG1 VAL 39 48.873 18.138 -28.285 284 H VAL 40 H VAL 40 47.081 17.482 -24.734 285 HA VAL 40 HA VAL 40 46.877 14.469 -24.744 286 HB VAL 40 HB VAL 40 46.256 16.139 -22.227 287 HG11 VAL 40 1HG1 VAL 40 45.899 13.085 -22.620 288 HG12 VAL 40 2HG1 VAL 40 45.584 14.000 -21.120 289 HG13 VAL 40 3HG1 VAL 40 44.585 14.281 -22.556 290 HG21 VAL 40 1HG2 VAL 40 48.730 15.617 -22.344 291 HG22 VAL 40 2HG2 VAL 40 47.959 14.757 -21.004 292 HG23 VAL 40 3HG2 VAL 40 48.371 13.887 -22.507 293 HCG9 23Y 101 HCG9 EVG 1 46.735 42.106 -0.912 294 HCG3 23Y 101 HCG3 EVG 1 46.492 43.283 3.400 295 HCG7 23Y 101 HCG7 EVG 1 42.493 42.536 -1.195 296 HCG4 23Y 101 HCG4 EVG 1 44.400 41.049 3.336 297 HCB1 23Y 101 HCB1 EVG 1 47.111 39.600 2.936 298 HCB2 23Y 101 HCB2 EVG 1 48.225 38.215 4.638 299 HOB3 23Y 101 HOB3 EVG 1 49.008 38.126 6.729 300 HCB4 23Y 101 HCB4 EVG 1 48.069 41.469 7.412 301 HCB5 23Y 101 HCB5 EVG 1 46.937 42.868 5.726 302 HCC1 23Y 101 HCC1 EVG 1 44.240 44.870 2.979 303 HOC2 23Y 101 HOC2 EVG 1 42.550 46.986 5.254 304 HCC3 23Y 101 HCC3 EVG 1 42.104 45.313 6.659 305 HOC4 23Y 101 HOC4 EVG 1 42.419 41.865 7.388 306 HCC5 23Y 101 HCC5 EVG 1 43.502 41.453 5.490 307 HCD1 23Y 101 HCD1 EVG 1 41.859 42.322 2.601 308 HCD2 23Y 101 HCD2 EVG 1 40.593 42.672 -0.121 309 HCE1 23Y 101 HCE1 EVG 1 37.711 42.662 4.698 310 HOE2 23Y 101 HOE2 EVG 1 34.807 42.945 2.695 311 HCE3 23Y 101 HCE3 EVG 1 35.978 42.953 0.800 312 HCE4 23Y 101 HCE4 EVG 1 38.198 42.827 -0.220 313 HCE6 23Y 101 HCE6 EVG 1 39.952 42.508 3.713 314 HCF5 23Y 101 HCF5 EVG 1 41.388 41.925 -4.772 315 HCF1 23Y 101 HCF1 EVG 1 43.285 43.407 -3.451 316 HCF2 23Y 101 HCF2 EVG 1 45.694 42.606 -4.805 317 HOF2 23Y 101 HOF2 EVG 1 43.294 43.726 -5.800 318 HCF3 23Y 101 HCF3 EVG 1 44.781 41.453 -6.887 319 HOF3 23Y 101 HOF3 EVG 1 44.694 40.112 -4.402 320 HCF4 23Y 101 HCF4 EVG 1 42.881 39.767 -6.239 321 HOF4 23Y 101 HOF4 EVG 1 42.227 42.449 -6.860 322 HF61 23Y 101 HF61 EVG 1 41.860 38.958 -4.093 323 HF62 23Y 101 HF62 EVG 1 40.718 40.026 -3.282 324 HCF6 23Y 101 HCF6 EVG 1 39.662 40.304 -5.339 325 HCG9 23Y 102 HCG9 EVG 2 61.281 31.142 -10.223 326 HCG3 23Y 102 HCG3 EVG 2 59.614 34.226 -7.413 327 HCG7 23Y 102 HCG7 EVG 2 58.552 32.490 -13.217 328 HCG4 23Y 102 HCG4 EVG 2 57.004 32.922 -8.339 329 HCB1 23Y 102 HCB1 EVG 2 58.489 34.878 -5.342 330 HCB2 23Y 102 HCB2 EVG 2 57.724 34.202 -3.110 331 HOB3 23Y 102 HOB3 EVG 2 57.137 32.505 -1.791 332 HCB4 23Y 102 HCB4 EVG 2 57.662 30.102 -4.347 333 HCB5 23Y 102 HCB5 EVG 2 58.433 30.761 -6.596 334 HCC1 23Y 102 HCC1 EVG 2 55.555 34.568 -7.438 335 HOC2 23Y 102 HOC2 EVG 2 54.112 36.143 -6.836 336 HCC3 23Y 102 HCC3 EVG 2 56.018 38.716 -8.354 337 HOC4 23Y 102 HOC4 EVG 2 59.139 38.123 -9.933 338 HCC5 23Y 102 HCC5 EVG 2 59.037 35.933 -9.556 339 HCD1 23Y 102 HCD1 EVG 2 56.160 34.254 -10.770 340 HCD2 23Y 102 HCD2 EVG 2 56.723 33.569 -13.663 341 HCE1 23Y 102 HCE1 EVG 2 52.250 36.469 -11.931 342 HOE2 23Y 102 HOE2 EVG 2 50.835 36.847 -13.665 343 HCE3 23Y 102 HCE3 EVG 2 53.063 35.421 -15.999 344 HCE4 23Y 102 HCE4 EVG 2 55.119 34.273 -15.308 345 HCE6 23Y 102 HCE6 EVG 2 54.299 35.351 -11.209 346 HCF5 23Y 102 HCF5 EVG 2 64.297 29.767 -11.678 347 HCF1 23Y 102 HCF1 EVG 2 61.754 29.570 -12.191 348 HCF2 23Y 102 HCF2 EVG 2 62.165 30.817 -14.980 349 HOF2 23Y 102 HOF2 EVG 2 61.358 28.198 -14.213 350 HCF3 23Y 102 HCF3 EVG 2 63.601 28.327 -13.886 351 HOF3 23Y 102 HOF3 EVG 2 64.703 28.550 -15.820 352 HCF4 23Y 102 HCF4 EVG 2 64.869 31.083 -14.411 353 HOF4 23Y 102 HOF4 EVG 2 66.276 29.391 -14.624 354 HF61 23Y 102 HF61 EVG 2 65.349 32.578 -12.382 355 HF62 23Y 102 HF62 EVG 2 64.858 32.044 -10.770 356 HCF6 23Y 102 HOF6 EVG 2 67.128 31.829 -11.145 Start of MODEL 6 1 H1 ASP 1 1H ASP 1 31.932 30.026 27.844 2 H2 ASP 1 2H ASP 1 31.320 31.233 26.894 3 H3 ASP 1 3H ASP 1 31.154 31.298 28.543 4 HA ASP 1 HA ASP 1 32.836 32.857 27.854 5 HB2 ASP 1 1HB ASP 1 32.863 31.625 30.096 6 HB3 ASP 1 2HB ASP 1 33.999 30.456 29.420 7 H ALA 2 H ALA 2 34.275 29.542 27.207 8 HA ALA 2 HA ALA 2 36.033 30.734 25.099 9 HB1 ALA 2 1HB ALA 2 36.889 28.980 26.645 10 HB2 ALA 2 2HB ALA 2 35.689 27.808 26.028 11 HB3 ALA 2 3HB ALA 2 36.965 28.430 24.959 12 H GLU 3 H GLU 3 35.485 30.941 23.055 13 HA GLU 3 HA GLU 3 33.476 29.035 21.714 14 HB2 GLU 3 2HB GLU 3 32.530 31.327 22.298 15 HB3 GLU 3 1HB GLU 3 33.721 32.064 21.232 16 HG2 GLU 3 1HG GLU 3 32.701 30.769 19.263 17 HG3 GLU 3 2HG GLU 3 31.519 30.047 20.365 18 H PHE 4 H PHE 4 35.060 27.755 20.905 19 HA PHE 4 HA PHE 4 37.284 28.950 19.189 20 HB2 PHE 4 1HB PHE 4 38.488 26.914 19.371 21 HB3 PHE 4 2HB PHE 4 38.093 27.536 20.937 22 HD1 PHE 4 HD1 PHE 4 36.404 26.324 22.415 23 HD2 PHE 4 HD2 PHE 4 37.645 24.699 18.632 24 HE1 PHE 4 HE1 PHE 4 35.486 24.128 23.048 25 HE2 PHE 4 HE2 PHE 4 36.727 22.509 19.278 26 HZ PHE 4 HZ PHE 4 35.642 22.219 21.482 27 H ARG 5 H ARG 5 36.312 29.477 17.339 28 HA ARG 5 HA ARG 5 35.175 27.224 15.589 29 HB2 ARG 5 2HB ARG 5 33.369 28.797 16.608 30 HB3 ARG 5 1HB ARG 5 34.097 30.100 15.702 31 HG2 ARG 5 2HG ARG 5 32.324 29.512 14.342 32 HG3 ARG 5 1HG ARG 5 33.647 28.709 13.528 33 HD2 ARG 5 1HD ARG 5 32.928 26.488 14.656 34 HD3 ARG 5 2HD ARG 5 31.623 27.371 15.480 35 HE ARG 5 HE ARG 5 31.582 27.802 12.520 36 HH11 ARG 5 2HH2 ARG 5 30.486 25.573 14.977 37 HH12 ARG 5 1HH2 ARG 5 29.157 24.940 13.891 38 HH21 ARG 5 2HH1 ARG 5 30.070 27.037 11.333 39 HH22 ARG 5 1HH1 ARG 5 28.951 25.735 11.935 40 H HIS 6 H HIS 6 36.566 26.976 13.966 41 HA HIS 6 HA HIS 6 38.452 29.205 13.124 42 HB2 HIS 6 1HB HIS 6 39.265 26.872 13.661 43 HB3 HIS 6 2HB HIS 6 38.376 26.245 12.285 44 HD2 HIS 6 HD2 HIS 6 39.412 26.739 9.814 45 HE1 HIS 6 HE1 HIS 6 42.969 28.517 11.083 46 HE2 HIS 6 HE2 HIS 6 41.819 27.552 8.983 47 H ASP 7 H ASP 7 37.245 30.608 11.968 48 HA ASP 7 HA ASP 7 36.149 29.698 9.269 49 HB2 ASP 7 1HB ASP 7 34.154 31.022 9.433 50 HB3 ASP 7 2HB ASP 7 34.221 29.870 10.748 51 H SER 8 H SER 8 36.878 32.810 10.938 52 HA SER 8 HA SER 8 37.726 34.040 8.377 53 HB2 SER 8 1HB SER 8 37.986 35.073 11.268 54 HB3 SER 8 2HB SER 8 38.319 36.026 9.831 55 HG SER 8 HG SER 8 36.085 35.528 9.175 56 H GLY 9 H GLY 9 39.682 34.200 7.521 57 HA2 GLY 9 1HA GLY 9 42.070 32.796 8.744 58 HA3 GLY 9 2HA GLY 9 42.001 33.452 7.126 59 H TYR 10 H TYR 10 42.137 35.838 6.947 60 HA TYR 10 HA TYR 10 44.273 36.927 8.832 61 HB2 TYR 10 2HB TYR 10 43.303 37.932 6.096 62 HB3 TYR 10 1HB TYR 10 44.432 38.804 7.082 63 HD1 TYR 10 HD2 TYR 10 46.768 37.989 7.452 64 HD2 TYR 10 HD1 TYR 10 44.036 35.795 4.958 65 HE1 TYR 10 HE2 TYR 10 48.645 36.695 6.513 66 HE2 TYR 10 HE1 TYR 10 45.916 34.509 4.037 67 HH TYR 10 HH TYR 10 48.114 34.168 4.079 68 H GLU 11 H GLU 11 43.603 38.045 10.484 69 HA GLU 11 HA GLU 11 41.466 40.221 10.197 70 HB2 GLU 11 1HB GLU 11 41.590 38.139 12.463 71 HB3 GLU 11 2HB GLU 11 40.771 39.681 12.625 72 HG2 GLU 11 1HG GLU 11 39.202 39.098 10.718 73 HG3 GLU 11 2HG GLU 11 40.010 37.540 10.538 74 H VAL 12 H VAL 12 43.070 41.712 10.035 75 HA VAL 12 HA VAL 12 44.511 42.416 12.617 76 HB VAL 12 HB VAL 12 46.565 43.179 11.453 77 HG11 VAL 12 1HG1 VAL 12 46.187 40.127 11.326 78 HG12 VAL 12 2HG1 VAL 12 47.728 41.007 11.476 79 HG13 VAL 12 3HG1 VAL 12 46.542 41.058 12.795 80 HG21 VAL 12 1HG2 VAL 12 45.851 43.170 9.028 81 HG22 VAL 12 2HG2 VAL 12 45.783 41.394 9.058 82 HG23 VAL 12 3HG2 VAL 12 47.333 42.229 9.313 83 H HIS 13 H HIS 13 43.621 44.254 13.166 84 HA HIS 13 HA HIS 13 42.432 46.120 11.148 85 HB2 HIS 13 2HB HIS 13 41.346 45.458 13.361 86 HB3 HIS 13 1HB HIS 13 42.538 46.418 14.211 87 HD2 HIS 13 HD2 HIS 13 39.463 46.745 11.838 88 HE1 HIS 13 HE1 HIS 13 40.205 50.556 13.365 89 HE2 HIS 13 HE2 HIS 13 38.492 49.228 11.965 90 H HIS 14 H HIS 14 45.008 46.633 13.625 91 HA HIS 14 HA HIS 14 45.864 49.179 12.200 92 HB2 HIS 14 2HB HIS 14 45.620 49.030 14.754 93 HB3 HIS 14 1HB HIS 14 47.001 47.953 14.790 94 HD2 HIS 14 HD2 HIS 14 45.990 51.642 14.094 95 HE1 HIS 14 HE1 HIS 14 50.143 51.639 14.434 96 HE2 HIS 14 HE2 HIS 14 48.127 53.226 14.246 97 H GLN 15 H GLN 15 47.250 48.984 10.572 98 HA GLN 15 HA GLN 15 49.114 46.595 10.262 99 HB2 GLN 15 1HB GLN 15 48.584 48.960 8.345 100 HB3 GLN 15 2HB GLN 15 49.712 47.651 8.061 101 HG2 GLN 15 2HG GLN 15 47.783 45.975 8.187 102 HG3 GLN 15 1HG GLN 15 46.657 47.314 8.263 103 HE21 GLN 15 2HE2 GLN 15 45.937 47.951 6.229 104 HE22 GLN 15 1HE2 GLN 15 46.852 47.608 4.671 105 H LYS 16 H LYS 16 51.292 46.727 10.618 106 HA LYS 16 HA LYS 16 52.552 49.318 11.620 107 HB2 LYS 16 2HB LYS 16 53.662 46.479 11.423 108 HB3 LYS 16 1HB LYS 16 54.630 47.839 11.906 109 HG2 LYS 16 1HG LYS 16 52.061 47.059 13.443 110 HG3 LYS 16 2HG LYS 16 53.622 46.324 13.759 111 HD2 LYS 16 1HD LYS 16 54.638 48.548 14.296 112 HD3 LYS 16 2HD LYS 16 53.123 49.373 14.015 113 HE2 LYS 16 2HE LYS 16 53.492 47.136 16.156 114 HE3 LYS 16 1HE LYS 16 53.815 48.827 16.487 115 HZ1 LYS 16 2HZ LYS 16 51.119 47.795 15.586 116 HZ2 LYS 16 3HZ LYS 16 51.484 48.264 17.119 117 HZ3 LYS 16 1HZ LYS 16 51.443 49.360 15.897 118 H LEU 17 H LEU 17 51.942 50.191 9.576 119 HA LEU 17 HA LEU 17 54.171 50.962 7.907 120 HB2 LEU 17 2HB LEU 17 53.511 50.183 5.651 121 HB3 LEU 17 1HB LEU 17 54.095 48.927 6.698 122 HG LEU 17 HG LEU 17 51.648 48.180 7.057 123 HD11 LEU 17 2HD1 LEU 17 50.400 50.201 6.162 124 HD12 LEU 17 3HD1 LEU 17 50.014 48.762 5.221 125 HD13 LEU 17 1HD1 LEU 17 51.139 49.964 4.561 126 HD21 LEU 17 1HD2 LEU 17 53.272 46.959 5.578 127 HD22 LEU 17 2HD2 LEU 17 52.824 47.993 4.201 128 HD23 LEU 17 3HD2 LEU 17 51.629 46.887 4.919 129 H VAL 18 H VAL 18 53.506 52.780 6.514 130 HA VAL 18 HA VAL 18 51.348 54.348 7.648 131 HB VAL 18 HB VAL 18 51.541 55.943 5.741 132 HG11 VAL 18 1HG2 VAL 18 52.816 56.256 7.867 133 HG12 VAL 18 2HG2 VAL 18 53.675 56.906 6.463 134 HG13 VAL 18 3HG2 VAL 18 54.197 55.365 7.183 135 HG21 VAL 18 1HG1 VAL 18 53.425 55.874 4.162 136 HG22 VAL 18 2HG1 VAL 18 53.954 54.285 4.764 137 HG23 VAL 18 3HG1 VAL 18 52.407 54.448 3.901 138 H PHE 19 H PHE 19 49.378 53.623 7.675 139 HA PHE 19 HA PHE 19 48.062 52.112 5.571 140 HB2 PHE 19 1HB PHE 19 47.630 51.984 8.081 141 HB3 PHE 19 2HB PHE 19 46.815 53.524 8.016 142 HD1 PHE 19 HD1 PHE 19 44.546 53.707 6.864 143 HD2 PHE 19 HD2 PHE 19 46.544 49.926 7.273 144 HE1 PHE 19 HE1 PHE 19 42.435 52.532 6.378 145 HE2 PHE 19 HE2 PHE 19 44.396 48.764 6.816 146 HZ PHE 19 HZ PHE 19 42.369 50.062 6.342 147 H PHE 20 H PHE 20 46.946 52.757 3.845 148 HA PHE 20 HA PHE 20 46.270 55.709 3.415 149 HB2 PHE 20 2HB PHE 20 46.419 53.376 1.418 150 HB3 PHE 20 1HB PHE 20 45.765 54.937 1.022 151 HD1 PHE 20 HD2 PHE 20 47.213 56.964 0.832 152 HD2 PHE 20 HD1 PHE 20 48.917 53.140 1.821 153 HE1 PHE 20 HE2 PHE 20 49.461 57.814 0.290 154 HE2 PHE 20 HE1 PHE 20 51.154 54.003 1.276 155 HZ PHE 20 HZ PHE 20 51.432 56.338 0.507 156 H ALA 21 H ALA 21 44.327 56.273 4.064 157 HA ALA 21 HA ALA 21 42.019 54.396 4.408 158 HB1 ALA 21 1HB ALA 21 40.891 56.500 5.243 159 HB2 ALA 21 2HB ALA 21 42.256 57.481 4.688 160 HB3 ALA 21 3HB ALA 21 42.483 56.292 6.000 161 H GLU 22 H GLU 22 39.977 54.549 3.315 162 HA GLU 22 HA GLU 22 40.196 55.130 0.407 163 HB2 GLU 22 1HB GLU 22 38.160 54.042 0.064 164 HB3 GLU 22 2HB GLU 22 39.178 53.091 1.117 165 HG2 GLU 22 1HG GLU 22 37.709 53.778 3.116 166 HG3 GLU 22 2HG GLU 22 36.694 54.712 2.018 167 H ASP 23 H ASP 23 40.716 57.320 1.031 168 HA ASP 23 HA ASP 23 38.792 59.116 -0.270 169 HB2 ASP 23 1HB ASP 23 38.546 60.890 1.426 170 HB3 ASP 23 2HB ASP 23 37.646 59.441 1.797 171 H VAL 24 H VAL 24 40.328 59.622 -1.688 172 HA VAL 24 HA VAL 24 42.878 61.019 -0.741 173 HB VAL 24 HB VAL 24 42.958 58.760 -2.817 174 HG11 VAL 24 1HG1 VAL 24 45.428 59.146 -2.887 175 HG12 VAL 24 2HG1 VAL 24 44.594 60.640 -3.340 176 HG13 VAL 24 3HG1 VAL 24 45.298 60.479 -1.714 177 HG21 VAL 24 1HG2 VAL 24 44.467 57.532 -1.232 178 HG22 VAL 24 2HG2 VAL 24 42.903 57.818 -0.460 179 HG23 VAL 24 3HG2 VAL 24 44.289 58.823 -0.013 180 H GLY 25 H GLY 25 42.215 62.947 -1.381 181 HA2 GLY 25 1HA GLY 25 40.690 63.429 -3.955 182 HA3 GLY 25 2HA GLY 25 41.060 64.633 -2.742 183 H SER 26 H SER 26 41.753 63.800 -5.794 184 HA SER 26 HA SER 26 44.658 64.531 -5.915 185 HB2 SER 26 1HB SER 26 44.384 64.224 -8.359 186 HB3 SER 26 2HB SER 26 43.699 62.859 -7.483 187 HG SER 26 HG SER 26 42.102 65.086 -8.219 188 H ASN 27 H ASN 27 45.549 66.435 -6.705 189 HA ASN 27 HA ASN 27 43.983 68.937 -6.387 190 HB2 ASN 27 2HB ASN 27 46.432 68.555 -5.720 191 HB3 ASN 27 1HB ASN 27 46.859 68.604 -7.417 192 HD21 ASN 27 2HD2 ASN 27 45.782 70.529 -4.677 193 HD22 ASN 27 1HD2 ASN 27 46.141 72.123 -5.529 194 H LYS 28 H LYS 28 42.356 68.701 -7.886 195 HA LYS 28 HA LYS 28 42.967 69.780 -10.636 196 HB2 LYS 28 1HB LYS 28 41.493 68.199 -11.842 197 HB3 LYS 28 2HB LYS 28 42.973 67.483 -11.242 198 HG2 LYS 28 1HG LYS 28 41.715 66.347 -9.394 199 HG3 LYS 28 2HG LYS 28 40.241 67.157 -9.844 200 HD2 LYS 28 2HD LYS 28 39.958 65.003 -10.722 201 HD3 LYS 28 1HD LYS 28 40.285 66.005 -12.124 202 HE2 LYS 28 2HE LYS 28 42.723 65.142 -12.127 203 HE3 LYS 28 1HE LYS 28 42.358 64.144 -10.725 204 HZ1 LYS 28 2HZ LYS 28 42.045 62.829 -12.800 205 HZ2 LYS 28 3HZ LYS 28 40.590 62.991 -12.060 206 HZ3 LYS 28 1HZ LYS 28 40.938 63.897 -13.379 207 H GLY 29 H GLY 29 41.575 71.243 -11.269 208 HA2 GLY 29 1HA GLY 29 38.736 71.525 -10.725 209 HA3 GLY 29 2HA GLY 29 39.555 72.323 -9.384 210 H ALA 30 H ALA 30 39.231 72.235 -12.880 211 HA ALA 30 HA ALA 30 40.068 75.190 -13.071 212 HB1 ALA 30 1HB ALA 30 41.574 73.633 -14.312 213 HB2 ALA 30 2HB ALA 30 40.677 74.682 -15.430 214 HB3 ALA 30 3HB ALA 30 40.188 72.984 -15.231 215 H ILE 31 H ILE 31 38.334 76.438 -13.173 216 HA ILE 31 HA ILE 31 36.179 75.932 -15.194 217 HB ILE 31 HB ILE 31 34.286 76.556 -13.716 218 HG12 ILE 31 1HG1 ILE 31 35.764 75.541 -11.230 219 HG13 ILE 31 2HG1 ILE 31 35.883 77.230 -11.647 220 HG21 ILE 31 2HG2 ILE 31 35.513 73.809 -13.056 221 HG22 ILE 31 3HG2 ILE 31 34.596 74.211 -14.520 222 HG23 ILE 31 1HG2 ILE 31 33.796 74.245 -12.936 223 HD11 ILE 31 1HD1 ILE 31 34.031 76.935 -10.046 224 HD12 ILE 31 2HD1 ILE 31 33.202 75.787 -11.123 225 HD13 ILE 31 3HD1 ILE 31 33.373 77.498 -11.597 226 H ILE 32 H ILE 32 36.111 77.732 -16.359 227 HA ILE 32 HA ILE 32 37.283 80.274 -15.272 228 HB ILE 32 HB ILE 32 37.995 79.483 -17.478 229 HG12 ILE 32 2HG1 ILE 32 37.749 81.666 -18.794 230 HG13 ILE 32 1HG1 ILE 32 36.682 82.268 -17.550 231 HG21 ILE 32 3HG2 ILE 32 35.232 80.255 -18.620 232 HG22 ILE 32 1HG2 ILE 32 36.650 79.677 -19.529 233 HG23 ILE 32 2HG2 ILE 32 35.814 78.588 -18.412 234 HD11 ILE 32 1HD1 ILE 32 38.635 82.084 -15.864 235 HD12 ILE 32 2HD1 ILE 32 39.659 81.454 -17.182 236 HD13 ILE 32 3HD1 ILE 32 39.019 83.106 -17.262 237 H GLY 33 H GLY 33 36.289 82.163 -14.956 238 HA2 GLY 33 1HA GLY 33 33.440 82.794 -15.563 239 HA3 GLY 33 2HA GLY 33 33.601 82.274 -13.890 240 H LEU 34 H LEU 34 34.741 84.646 -16.240 241 HA LEU 34 HA LEU 34 35.883 86.451 -14.085 242 HB2 LEU 34 1HB LEU 34 37.014 85.992 -16.315 243 HB3 LEU 34 2HB LEU 34 35.781 86.927 -17.129 244 HG LEU 34 HG LEU 34 37.546 88.090 -14.867 245 HD11 LEU 34 1HD2 LEU 34 39.076 88.971 -16.638 246 HD12 LEU 34 2HD2 LEU 34 38.143 88.138 -17.903 247 HD13 LEU 34 3HD2 LEU 34 39.037 87.202 -16.682 248 HD21 LEU 34 2HD1 LEU 34 36.055 89.534 -17.175 249 HD22 LEU 34 3HD1 LEU 34 37.072 90.310 -15.940 250 HD23 LEU 34 1HD1 LEU 34 35.553 89.547 -15.471 251 H MET 35 H MET 35 34.541 87.750 -13.033 252 HA MET 35 HA MET 35 32.307 89.204 -14.508 253 HB2 MET 35 1HB MET 35 30.686 88.958 -12.761 254 HB3 MET 35 2HB MET 35 31.131 87.415 -13.450 255 HG2 MET 35 2HG MET 35 32.505 86.875 -11.366 256 HG3 MET 35 1HG MET 35 32.058 88.446 -10.687 257 HE1 MET 35 2HE MET 35 31.105 84.758 -10.948 258 HE2 MET 35 1HE MET 35 29.320 84.739 -11.047 259 HE3 MET 35 3HE MET 35 30.285 85.263 -12.459 260 H VAL 36 H VAL 36 33.017 91.178 -14.558 261 HA VAL 36 HA VAL 36 33.767 92.634 -11.990 262 HB VAL 36 HB VAL 36 35.503 92.827 -14.520 263 HG11 VAL 36 1HG1 VAL 36 36.928 94.432 -13.239 264 HG12 VAL 36 2HG1 VAL 36 35.283 95.070 -13.347 265 HG13 VAL 36 3HG1 VAL 36 35.847 94.335 -11.829 266 HG21 VAL 36 1HG2 VAL 36 36.105 90.782 -13.150 267 HG22 VAL 36 2HG2 VAL 36 36.327 91.797 -11.713 268 HG23 VAL 36 3HG2 VAL 36 37.401 91.984 -13.125 269 H GLY 37 H GLY 37 31.993 93.849 -11.951 270 HA2 GLY 37 1HA GLY 37 31.432 95.970 -13.958 271 HA3 GLY 37 2HA GLY 37 30.299 94.644 -14.176 272 H GLY 38 H GLY 38 28.840 94.178 -12.483 273 HA2 GLY 38 1HA GLY 38 28.716 95.629 -9.898 274 HA3 GLY 38 2HA GLY 38 27.657 96.427 -11.054 275 H VAL 39 H VAL 39 28.246 93.464 -9.305 276 HA VAL 39 HA VAL 39 25.305 92.727 -9.556 277 HB VAL 39 HB VAL 39 26.491 91.437 -11.279 278 HG11 VAL 39 1HG2 VAL 39 27.904 89.804 -9.074 279 HG12 VAL 39 2HG2 VAL 39 28.716 90.946 -10.169 280 HG13 VAL 39 3HG2 VAL 39 27.931 89.496 -10.825 281 HG21 VAL 39 1HG1 VAL 39 24.356 90.592 -10.290 282 HG22 VAL 39 2HG1 VAL 39 25.403 89.275 -10.841 283 HG23 VAL 39 3HG1 VAL 39 25.272 89.633 -9.102 284 H VAL 40 H VAL 40 24.797 93.390 -7.552 285 HA VAL 40 HA VAL 40 25.973 91.920 -5.206 286 HB VAL 40 HB VAL 40 27.300 94.027 -5.404 287 HG11 VAL 40 1HG2 VAL 40 26.424 96.250 -4.767 288 HG12 VAL 40 2HG2 VAL 40 25.537 95.670 -6.196 289 HG13 VAL 40 3HG2 VAL 40 24.773 95.602 -4.597 290 HG21 VAL 40 1HG1 VAL 40 25.634 93.882 -2.820 291 HG22 VAL 40 2HG1 VAL 40 27.040 92.862 -3.202 292 HG23 VAL 40 3HG1 VAL 40 27.250 94.613 -3.002 293 HCG9 23Y 101 HCG9 EVG 1 50.346 43.198 -1.246 294 HCG3 23Y 101 HCG3 EVG 1 46.762 43.144 1.467 295 HCG7 23Y 101 HCG7 EVG 1 49.252 39.315 -2.646 296 HCG4 23Y 101 HCG4 EVG 1 47.998 40.442 2.208 297 HCB1 23Y 101 HCB1 EVG 1 49.972 42.594 3.324 298 HCB2 23Y 101 HCB2 EVG 1 50.230 43.070 5.731 299 HOB3 23Y 101 HOB3 EVG 1 47.437 43.840 7.762 300 HCB4 23Y 101 HCB4 EVG 1 46.007 43.682 6.078 301 HCB5 23Y 101 HCB5 EVG 1 45.728 43.213 3.684 302 HCC1 23Y 101 HCC1 EVG 1 45.345 41.555 -0.337 303 HOC2 23Y 101 HOC2 EVG 1 41.963 40.518 -0.236 304 HCC3 23Y 101 HCC3 EVG 1 42.223 39.470 1.701 305 HOC4 23Y 101 HOC4 EVG 1 42.761 38.531 3.615 306 HCC5 23Y 101 HCC5 EVG 1 46.131 39.586 3.416 307 HCD1 23Y 101 HCD1 EVG 1 46.990 38.466 0.349 308 HCD2 23Y 101 HCD2 EVG 1 48.120 37.500 -2.287 309 HCE1 23Y 101 HCE1 EVG 1 44.673 34.493 0.954 310 HOE2 23Y 101 HOE2 EVG 1 44.299 32.482 0.062 311 HCE3 23Y 101 HCE3 EVG 1 46.390 33.133 -2.725 312 HCE4 23Y 101 HCE4 EVG 1 47.558 35.274 -2.988 313 HCE6 23Y 101 HCE6 EVG 1 45.817 36.635 0.722 314 HCF5 23Y 101 HCF5 EVG 1 52.147 45.064 -3.738 315 HCF1 23Y 101 HCF1 EVG 1 52.241 42.615 -2.933 316 HCF2 23Y 101 HCF2 EVG 1 51.352 41.606 -5.711 317 HOF2 23Y 101 HOF2 EVG 1 52.573 40.183 -4.426 318 HCF3 23Y 101 HCF3 EVG 1 53.782 43.386 -5.130 319 HOF3 23Y 101 HOF3 EVG 1 53.879 43.395 -7.349 320 HCF4 23Y 101 HCF4 EVG 1 51.190 44.258 -6.553 321 HOF4 23Y 101 HOF4 EVG 1 53.026 45.368 -7.159 322 HF61 23Y 101 HF61 EVG 1 50.800 46.828 -4.956 323 HF62 23Y 101 HF62 EVG 1 50.027 46.218 -3.489 324 HCF6 23Y 101 HCF6 EVG 1 48.890 44.718 -4.892 325 HCG9 23Y 102 HCG9 EVG 2 27.941 74.980 -5.249 326 HCG3 23Y 102 HCG3 EVG 2 31.850 75.561 -3.136 327 HCG7 23Y 102 HCG7 EVG 2 29.801 72.070 -7.773 328 HCG4 23Y 102 HCG4 EVG 2 32.783 75.887 -6.034 329 HCB1 23Y 102 HCB1 EVG 2 31.007 78.391 -5.451 330 HCB2 23Y 102 HCB2 EVG 2 31.897 80.664 -5.168 331 HOB3 23Y 102 HOB3 EVG 2 33.346 81.958 -4.080 332 HCB4 23Y 102 HCB4 EVG 2 34.587 79.255 -2.147 333 HCB5 23Y 102 HCB5 EVG 2 33.709 76.970 -2.417 334 HCC1 23Y 102 HCC1 EVG 2 32.579 72.911 -3.614 335 HOC2 23Y 102 HOC2 EVG 2 35.401 71.130 -2.439 336 HCC3 23Y 102 HCC3 EVG 2 36.829 72.535 -3.400 337 HOC4 23Y 102 HOC4 EVG 2 38.009 74.095 -4.453 338 HCC5 23Y 102 HCC5 EVG 2 35.117 75.779 -5.584 339 HCD1 23Y 102 HCD1 EVG 2 33.399 73.260 -7.069 340 HCD2 23Y 102 HCD2 EVG 2 31.684 71.295 -8.596 341 HCE1 23Y 102 HCE1 EVG 2 37.285 71.442 -8.827 342 HOE2 23Y 102 HOE2 EVG 2 38.071 69.764 -10.121 343 HCE3 23Y 102 HCE3 EVG 2 34.810 68.774 -11.083 344 HCE4 23Y 102 HCE4 EVG 2 32.804 69.767 -10.078 345 HCE6 23Y 102 HCE6 EVG 2 35.314 72.468 -7.833 346 HCF5 23Y 102 HCF5 EVG 2 25.395 71.156 -9.841 347 HCF1 23Y 102 HCF1 EVG 2 27.685 71.883 -8.530 348 HCF2 23Y 102 HCF2 EVG 2 27.243 70.825 -5.889 349 HOF2 23Y 102 HOF2 EVG 2 26.998 69.465 -8.355 350 HCF3 23Y 102 HCF3 EVG 2 25.289 69.224 -6.317 351 HOF3 23Y 102 HOF3 EVG 2 25.216 71.094 -4.982 352 HCF4 23Y 102 HCF4 EVG 2 23.424 70.331 -7.769 353 HOF4 23Y 102 HOF4 EVG 2 24.393 68.387 -8.221 354 HF61 23Y 102 HF61 EVG 2 23.925 73.053 -10.214 355 HF62 23Y 102 HF62 EVG 2 22.951 71.591 -10.065 356 HCF6 23Y 102 HOF6 EVG 2 22.706 72.245 -7.769 Start of MODEL 7 1 H1 ASP 1 1H ASP 1 24.852 41.151 0.707 2 H2 ASP 1 2H ASP 1 25.138 42.470 -0.272 3 H3 ASP 1 3H ASP 1 24.418 41.168 -0.918 4 HA ASP 1 HA ASP 1 23.255 42.966 1.111 5 HB2 ASP 1 1HB ASP 1 21.776 43.770 -0.623 6 HB3 ASP 1 2HB ASP 1 23.440 43.995 -1.112 7 H ALA 2 H ALA 2 22.175 40.191 -1.002 8 HA ALA 2 HA ALA 2 19.914 39.622 0.738 9 HB1 ALA 2 1HB ALA 2 21.218 37.857 -1.436 10 HB2 ALA 2 2HB ALA 2 19.963 39.100 -1.688 11 HB3 ALA 2 3HB ALA 2 19.594 37.643 -0.746 12 H GLU 3 H GLU 3 23.025 37.828 0.586 13 HA GLU 3 HA GLU 3 22.343 36.579 3.305 14 HB2 GLU 3 2HB GLU 3 22.031 34.977 1.318 15 HB3 GLU 3 1HB GLU 3 23.756 35.106 1.000 16 HG2 GLU 3 1HG GLU 3 24.199 34.154 3.366 17 HG3 GLU 3 2HG GLU 3 22.452 34.009 3.598 18 H PHE 4 H PHE 4 23.735 37.408 4.697 19 HA PHE 4 HA PHE 4 26.479 38.434 3.833 20 HB2 PHE 4 2HB PHE 4 24.925 38.841 6.457 21 HB3 PHE 4 1HB PHE 4 26.561 39.369 6.216 22 HD1 PHE 4 HD2 PHE 4 27.120 41.289 4.713 23 HD2 PHE 4 HD1 PHE 4 23.043 40.020 5.240 24 HE1 PHE 4 HE2 PHE 4 26.324 43.410 3.743 25 HE2 PHE 4 HE1 PHE 4 22.265 42.141 4.269 26 HZ PHE 4 HZ PHE 4 23.897 43.840 3.523 27 H ARG 5 H ARG 5 28.100 37.057 3.952 28 HA ARG 5 HA ARG 5 28.322 35.073 6.273 29 HB2 ARG 5 2HB ARG 5 27.464 33.994 4.088 30 HB3 ARG 5 1HB ARG 5 29.007 34.389 3.344 31 HG2 ARG 5 1HG ARG 5 30.185 32.974 5.135 32 HG3 ARG 5 2HG ARG 5 28.610 32.604 5.849 33 HD2 ARG 5 1HD ARG 5 27.864 31.530 3.671 34 HD3 ARG 5 2HD ARG 5 29.460 31.859 2.963 35 HE ARG 5 HE ARG 5 30.209 30.503 5.289 36 HH11 ARG 5 1HH2 ARG 5 27.917 29.622 2.802 37 HH12 ARG 5 2HH2 ARG 5 28.194 27.839 3.098 38 HH21 ARG 5 2HH1 ARG 5 30.478 28.478 5.583 39 HH22 ARG 5 1HH1 ARG 5 29.577 27.242 4.596 40 H HIS 6 H HIS 6 30.125 35.544 7.363 41 HA HIS 6 HA HIS 6 32.219 37.323 6.204 42 HB2 HIS 6 2HB HIS 6 33.112 37.511 8.427 43 HB3 HIS 6 1HB HIS 6 31.390 37.748 8.451 44 HD2 HIS 6 HD2 HIS 6 34.130 35.292 9.690 45 HE1 HIS 6 HE1 HIS 6 30.618 34.280 11.703 46 HE2 HIS 6 HE2 HIS 6 33.148 33.770 11.652 47 H ASP 7 H ASP 7 34.185 36.816 5.479 48 HA ASP 7 HA ASP 7 35.045 33.925 5.306 49 HB2 ASP 7 1HB ASP 7 36.178 36.475 4.002 50 HB3 ASP 7 2HB ASP 7 36.908 34.887 3.847 51 H SER 8 H SER 8 36.371 33.075 6.713 52 HA SER 8 HA SER 8 37.866 34.762 8.765 53 HB2 SER 8 1HB SER 8 37.439 31.711 8.650 54 HB3 SER 8 2HB SER 8 38.262 32.588 9.941 55 HG SER 8 HG SER 8 35.595 33.128 9.106 56 H GLY 9 H GLY 9 39.992 35.073 8.678 57 HA2 GLY 9 1HA GLY 9 42.002 33.163 7.680 58 HA3 GLY 9 2HA GLY 9 41.707 34.342 6.409 59 H TYR 10 H TYR 10 42.191 36.549 6.860 60 HA TYR 10 HA TYR 10 44.426 36.953 8.918 61 HB2 TYR 10 2HB TYR 10 43.639 38.605 6.449 62 HB3 TYR 10 1HB TYR 10 44.820 39.132 7.619 63 HD1 TYR 10 HD1 TYR 10 47.054 38.013 7.823 64 HD2 TYR 10 HD2 TYR 10 44.196 36.712 4.883 65 HE1 TYR 10 HE1 TYR 10 48.820 36.761 6.642 66 HE2 TYR 10 HE2 TYR 10 45.964 35.464 3.722 67 HH TYR 10 HH TYR 10 48.115 34.893 3.708 68 H GLU 11 H GLU 11 43.850 37.839 10.755 69 HA GLU 11 HA GLU 11 41.604 39.945 10.896 70 HB2 GLU 11 1HB GLU 11 41.022 37.648 11.812 71 HB3 GLU 11 2HB GLU 11 42.313 37.813 12.996 72 HG2 GLU 11 2HG GLU 11 41.102 39.867 13.960 73 HG3 GLU 11 1HG GLU 11 39.817 39.647 12.763 74 H VAL 12 H VAL 12 43.149 41.531 10.512 75 HA VAL 12 HA VAL 12 44.679 42.415 12.967 76 HB VAL 12 HB VAL 12 46.660 43.222 11.702 77 HG11 VAL 12 1HG2 VAL 12 46.789 41.182 13.159 78 HG12 VAL 12 2HG2 VAL 12 46.456 40.154 11.753 79 HG13 VAL 12 3HG2 VAL 12 47.948 41.123 11.814 80 HG21 VAL 12 1HG1 VAL 12 45.898 43.044 9.299 81 HG22 VAL 12 2HG1 VAL 12 45.929 41.271 9.427 82 HG23 VAL 12 3HG1 VAL 12 47.432 42.212 9.590 83 H HIS 13 H HIS 13 43.737 44.261 13.431 84 HA HIS 13 HA HIS 13 42.356 45.916 11.377 85 HB2 HIS 13 2HB HIS 13 41.495 45.423 13.723 86 HB3 HIS 13 1HB HIS 13 42.719 46.488 14.382 87 HD2 HIS 13 HD2 HIS 13 39.445 46.523 12.260 88 HE1 HIS 13 HE1 HIS 13 40.148 50.458 13.454 89 HE2 HIS 13 HE2 HIS 13 38.385 48.972 12.296 90 H HIS 14 H HIS 14 45.124 46.733 13.530 91 HA HIS 14 HA HIS 14 45.682 49.234 11.900 92 HB2 HIS 14 2HB HIS 14 47.096 48.115 14.394 93 HB3 HIS 14 1HB HIS 14 47.619 49.548 13.531 94 HD2 HIS 14 HD2 HIS 14 44.858 48.375 15.942 95 HE1 HIS 14 HE1 HIS 14 44.400 52.494 15.474 96 HE2 HIS 14 HE2 HIS 14 43.540 50.500 16.868 97 H GLN 15 H GLN 15 47.054 49.302 10.292 98 HA GLN 15 HA GLN 15 48.776 46.930 9.520 99 HB2 GLN 15 1HB GLN 15 47.184 48.040 7.932 100 HB3 GLN 15 2HB GLN 15 48.102 49.536 8.025 101 HG2 GLN 15 1HG GLN 15 50.092 48.410 6.984 102 HG3 GLN 15 2HG GLN 15 49.263 46.851 7.019 103 HE21 GLN 15 1HE2 GLN 15 50.062 47.259 4.691 104 HE22 GLN 15 2HE2 GLN 15 48.748 47.954 3.594 105 H LYS 16 H LYS 16 50.508 46.935 10.857 106 HA LYS 16 HA LYS 16 52.282 49.440 11.155 107 HB2 LYS 16 2HB LYS 16 52.321 46.824 12.772 108 HB3 LYS 16 1HB LYS 16 53.564 48.030 12.820 109 HG2 LYS 16 2HG LYS 16 52.374 48.621 14.716 110 HG3 LYS 16 1HG LYS 16 51.866 49.797 13.541 111 HD2 LYS 16 2HD LYS 16 49.899 49.301 14.635 112 HD3 LYS 16 1HD LYS 16 49.698 48.382 13.178 113 HE2 LYS 16 2HE LYS 16 50.695 47.178 15.882 114 HE3 LYS 16 1HE LYS 16 48.997 47.316 15.471 115 HZ1 LYS 16 2HZ LYS 16 49.816 45.088 14.808 116 HZ2 LYS 16 3HZ LYS 16 49.397 45.923 13.443 117 HZ3 LYS 16 1HZ LYS 16 50.980 45.741 13.852 118 H LEU 17 H LEU 17 52.480 49.085 8.827 119 HA LEU 17 HA LEU 17 55.115 47.909 8.097 120 HB2 LEU 17 2HB LEU 17 53.516 45.908 7.987 121 HB3 LEU 17 1HB LEU 17 52.616 46.689 6.712 122 HG LEU 17 HG LEU 17 55.641 46.077 6.470 123 HD11 LEU 17 2HD1 LEU 17 54.443 43.929 6.984 124 HD12 LEU 17 3HD1 LEU 17 55.050 43.942 5.320 125 HD13 LEU 17 1HD1 LEU 17 53.322 44.218 5.628 126 HD21 LEU 17 1HD2 LEU 17 53.493 46.418 4.250 127 HD22 LEU 17 2HD2 LEU 17 54.749 47.601 4.655 128 HD23 LEU 17 3HD2 LEU 17 55.215 46.044 3.994 129 H VAL 18 H VAL 18 55.908 49.391 6.663 130 HA VAL 18 HA VAL 18 54.201 51.591 5.650 131 HB VAL 18 HB VAL 18 56.490 51.945 6.476 132 HG11 VAL 18 1HG1 VAL 18 57.587 50.859 3.800 133 HG12 VAL 18 2HG1 VAL 18 58.513 51.626 5.110 134 HG13 VAL 18 3HG1 VAL 18 57.760 50.040 5.365 135 HG21 VAL 18 1HG2 VAL 18 56.090 53.013 3.615 136 HG22 VAL 18 2HG2 VAL 18 55.337 53.677 5.086 137 HG23 VAL 18 3HG2 VAL 18 57.097 53.727 4.898 138 H PHE 19 H PHE 19 52.801 51.268 4.056 139 HA PHE 19 HA PHE 19 53.043 49.120 2.055 140 HB2 PHE 19 1HB PHE 19 50.858 50.059 3.022 141 HB3 PHE 19 2HB PHE 19 51.064 51.480 2.035 142 HD1 PHE 19 HD1 PHE 19 50.330 47.823 1.988 143 HD2 PHE 19 HD2 PHE 19 50.721 51.334 -0.465 144 HE1 PHE 19 HE1 PHE 19 49.147 46.681 0.158 145 HE2 PHE 19 HE2 PHE 19 49.570 50.162 -2.302 146 HZ PHE 19 HZ PHE 19 48.775 47.843 -1.991 147 H PHE 20 H PHE 20 54.303 49.173 0.314 148 HA PHE 20 HA PHE 20 55.324 51.795 -0.823 149 HB2 PHE 20 1HB PHE 20 56.847 49.766 -0.260 150 HB3 PHE 20 2HB PHE 20 56.171 48.956 -1.648 151 HD1 PHE 20 HD2 PHE 20 56.700 49.838 -3.985 152 HD2 PHE 20 HD1 PHE 20 58.344 51.732 -0.489 153 HE1 PHE 20 HE2 PHE 20 58.357 51.005 -5.384 154 HE2 PHE 20 HE1 PHE 20 59.996 52.888 -1.901 155 HZ PHE 20 HZ PHE 20 60.009 52.526 -4.348 156 H ALA 21 H ALA 21 54.134 52.705 -2.352 157 HA ALA 21 HA ALA 21 52.227 51.283 -4.163 158 HB1 ALA 21 1HB ALA 21 53.336 54.176 -4.240 159 HB2 ALA 21 2HB ALA 21 51.957 53.561 -5.175 160 HB3 ALA 21 3HB ALA 21 51.848 53.650 -3.406 161 H GLU 22 H GLU 22 52.757 50.282 -6.044 162 HA GLU 22 HA GLU 22 55.534 50.090 -6.991 163 HB2 GLU 22 1HB GLU 22 52.913 49.013 -8.160 164 HB3 GLU 22 2HB GLU 22 54.472 48.737 -8.903 165 HG2 GLU 22 1HG GLU 22 55.327 47.534 -6.868 166 HG3 GLU 22 2HG GLU 22 53.796 47.803 -6.036 167 H ASP 23 H ASP 23 55.863 52.333 -7.245 168 HA ASP 23 HA ASP 23 55.962 53.069 -10.176 169 HB2 ASP 23 1HB ASP 23 53.853 54.206 -9.208 170 HB3 ASP 23 2HB ASP 23 54.887 55.114 -8.112 171 H VAL 24 H VAL 24 58.127 52.907 -10.218 172 HA VAL 24 HA VAL 24 59.819 54.600 -8.360 173 HB VAL 24 HB VAL 24 59.646 52.387 -7.282 174 HG11 VAL 24 1HG2 VAL 24 59.663 50.821 -9.268 175 HG12 VAL 24 2HG2 VAL 24 60.873 50.390 -8.043 176 HG13 VAL 24 3HG2 VAL 24 61.378 51.200 -9.548 177 HG21 VAL 24 1HG1 VAL 24 62.015 52.192 -6.651 178 HG22 VAL 24 2HG1 VAL 24 62.536 53.080 -8.104 179 HG23 VAL 24 3HG1 VAL 24 61.591 53.901 -6.835 180 H GLY 25 H GLY 25 60.935 55.859 -9.585 181 HA2 GLY 25 1HA GLY 25 61.285 55.394 -12.526 182 HA3 GLY 25 2HA GLY 25 61.758 56.838 -11.667 183 H SER 26 H SER 26 63.734 56.582 -10.290 184 HA SER 26 HA SER 26 65.962 55.321 -11.947 185 HB2 SER 26 2HB SER 26 66.128 57.214 -9.521 186 HB3 SER 26 1HB SER 26 67.501 56.647 -10.462 187 HG SER 26 HG SER 26 65.304 58.000 -11.659 188 H ASN 27 H ASN 27 67.270 53.695 -11.215 189 HA ASN 27 HA ASN 27 66.383 52.011 -8.899 190 HB2 ASN 27 1HB ASN 27 67.176 51.123 -11.169 191 HB3 ASN 27 2HB ASN 27 68.802 51.625 -10.758 192 HD21 ASN 27 2HD2 ASN 27 66.259 49.303 -10.048 193 HD22 ASN 27 1HD2 ASN 27 67.391 48.202 -9.098 194 H LYS 28 H LYS 28 66.663 53.320 -7.156 195 HA LYS 28 HA LYS 28 69.381 54.403 -6.365 196 HB2 LYS 28 2HB LYS 28 66.599 54.604 -5.044 197 HB3 LYS 28 1HB LYS 28 68.054 55.255 -4.325 198 HG2 LYS 28 2HG LYS 28 68.425 56.840 -6.179 199 HG3 LYS 28 1HG LYS 28 67.082 56.162 -7.102 200 HD2 LYS 28 2HD LYS 28 65.464 56.849 -5.228 201 HD3 LYS 28 1HD LYS 28 66.816 57.466 -4.311 202 HE2 LYS 28 2HE LYS 28 65.889 59.431 -5.224 203 HE3 LYS 28 1HE LYS 28 67.312 59.155 -6.219 204 HZ1 LYS 28 2HZ LYS 28 65.809 58.090 -7.916 205 HZ2 LYS 28 3HZ LYS 28 64.492 58.346 -6.979 206 HZ3 LYS 28 1HZ LYS 28 65.302 59.627 -7.622 207 H GLY 29 H GLY 29 70.574 53.718 -4.655 208 HA2 GLY 29 1HA GLY 29 69.839 51.795 -2.581 209 HA3 GLY 29 2HA GLY 29 70.507 50.858 -3.911 210 H ALA 30 H ALA 30 72.690 51.383 -4.597 211 HA ALA 30 HA ALA 30 74.526 51.990 -2.291 212 HB1 ALA 30 1HB ALA 30 76.311 51.217 -3.875 213 HB2 ALA 30 2HB ALA 30 75.135 51.138 -5.204 214 HB3 ALA 30 3HB ALA 30 74.980 50.046 -3.800 215 H ILE 31 H ILE 31 75.698 53.782 -2.012 216 HA ILE 31 HA ILE 31 75.496 56.110 -4.002 217 HB ILE 31 HB ILE 31 76.436 56.156 -1.093 218 HG12 ILE 31 1HG1 ILE 31 73.833 57.484 -2.091 219 HG13 ILE 31 2HG1 ILE 31 73.811 55.806 -1.628 220 HG21 ILE 31 2HG2 ILE 31 75.887 58.534 -3.012 221 HG22 ILE 31 3HG2 ILE 31 76.381 58.657 -1.308 222 HG23 ILE 31 1HG2 ILE 31 77.496 57.980 -2.500 223 HD11 ILE 31 1HD1 ILE 31 74.615 58.082 0.288 224 HD12 ILE 31 2HD1 ILE 31 73.107 57.138 0.292 225 HD13 ILE 31 3HD1 ILE 31 74.643 56.343 0.688 226 H ILE 32 H ILE 32 76.972 55.597 -5.527 227 HA ILE 32 HA ILE 32 79.897 55.562 -4.777 228 HB ILE 32 HB ILE 32 80.504 53.793 -6.415 229 HG12 ILE 32 2HG1 ILE 32 77.739 52.495 -6.203 230 HG13 ILE 32 1HG1 ILE 32 78.017 53.670 -7.460 231 HG21 ILE 32 3HG2 ILE 32 80.239 51.886 -4.849 232 HG22 ILE 32 1HG2 ILE 32 78.951 52.748 -3.974 233 HG23 ILE 32 2HG2 ILE 32 80.610 53.379 -3.965 234 HD11 ILE 32 1HD1 ILE 32 79.958 52.347 -8.384 235 HD12 ILE 32 2HD1 ILE 32 79.686 51.090 -7.147 236 HD13 ILE 32 3HD1 ILE 32 78.441 51.426 -8.372 237 H GLY 33 H GLY 33 80.970 56.946 -6.004 238 HA2 GLY 33 1HA GLY 33 79.635 58.294 -8.381 239 HA3 GLY 33 2HA GLY 33 81.131 58.788 -7.629 240 H LEU 34 H LEU 34 79.744 56.265 -9.654 241 HA LEU 34 HA LEU 34 82.361 56.126 -11.274 242 HB2 LEU 34 2HB LEU 34 81.975 54.161 -9.730 243 HB3 LEU 34 1HB LEU 34 80.537 53.723 -10.624 244 HG LEU 34 HG LEU 34 83.327 53.952 -11.949 245 HD11 LEU 34 2HD1 LEU 34 82.071 51.424 -10.681 246 HD12 LEU 34 3HD1 LEU 34 83.473 52.320 -10.050 247 HD13 LEU 34 1HD1 LEU 34 83.589 51.486 -11.608 248 HD21 LEU 34 1HD2 LEU 34 81.406 53.803 -13.603 249 HD22 LEU 34 2HD2 LEU 34 80.831 52.321 -12.810 250 HD23 LEU 34 3HD2 LEU 34 82.401 52.346 -13.647 251 H MET 35 H MET 35 81.896 57.170 -13.082 252 HA MET 35 HA MET 35 79.318 56.553 -14.625 253 HB2 MET 35 2HB MET 35 79.241 58.808 -13.367 254 HB3 MET 35 1HB MET 35 80.566 59.358 -14.378 255 HG2 MET 35 1HG MET 35 78.452 60.190 -15.319 256 HG3 MET 35 2HG MET 35 79.087 58.993 -16.445 257 HE1 MET 35 2HE MET 35 76.760 59.102 -13.099 258 HE2 MET 35 1HE MET 35 76.078 60.145 -14.386 259 HE3 MET 35 3HE MET 35 75.229 58.649 -13.900 260 H VAL 36 H VAL 36 79.977 55.520 -16.378 261 HA VAL 36 HA VAL 36 82.285 56.566 -18.069 262 HB VAL 36 HB VAL 36 82.076 53.598 -17.291 263 HG11 VAL 36 1HG1 VAL 36 82.815 53.892 -19.700 264 HG12 VAL 36 2HG1 VAL 36 84.113 53.239 -18.695 265 HG13 VAL 36 3HG1 VAL 36 84.140 54.954 -19.171 266 HG21 VAL 36 1HG2 VAL 36 84.357 53.834 -16.287 267 HG22 VAL 36 2HG2 VAL 36 84.380 55.577 -16.664 268 HG23 VAL 36 3HG2 VAL 36 83.231 54.930 -15.476 269 H GLY 37 H GLY 37 80.985 57.242 -19.659 270 HA2 GLY 37 1HA GLY 37 79.684 56.825 -21.761 271 HA3 GLY 37 2HA GLY 37 79.166 55.275 -21.150 272 H GLY 38 H GLY 38 78.649 58.727 -20.936 273 HA2 GLY 38 1HA GLY 38 75.744 58.572 -20.747 274 HA3 GLY 38 2HA GLY 38 76.324 58.702 -19.091 275 H VAL 39 H VAL 39 77.403 60.601 -18.472 276 HA VAL 39 HA VAL 39 77.610 62.944 -20.384 277 HB VAL 39 HB VAL 39 76.022 63.196 -17.762 278 HG11 VAL 39 1HG1 VAL 39 75.678 65.595 -18.360 279 HG12 VAL 39 2HG1 VAL 39 76.663 65.417 -19.832 280 HG13 VAL 39 3HG1 VAL 39 77.411 65.268 -18.226 281 HG21 VAL 39 1HG2 VAL 39 74.994 63.620 -20.659 282 HG22 VAL 39 2HG2 VAL 39 74.057 63.873 -19.161 283 HG23 VAL 39 3HG2 VAL 39 74.577 62.247 -19.617 284 H VAL 40 H VAL 40 79.789 63.092 -20.219 285 HA VAL 40 HA VAL 40 81.103 63.550 -17.554 286 HB VAL 40 HB VAL 40 82.178 61.429 -19.514 287 HG11 VAL 40 1HG2 VAL 40 84.056 61.067 -17.905 288 HG12 VAL 40 2HG2 VAL 40 84.038 62.753 -18.449 289 HG13 VAL 40 3HG2 VAL 40 83.426 62.345 -16.830 290 HG21 VAL 40 1HG1 VAL 40 81.955 59.740 -17.665 291 HG22 VAL 40 2HG1 VAL 40 80.371 60.429 -18.050 292 HG23 VAL 40 3HG1 VAL 40 81.233 60.968 -16.595 293 HCG9 23Y 101 HCG9 EVG 1 49.724 42.583 -2.034 294 HCG3 23Y 101 HCG3 EVG 1 47.153 43.798 1.451 295 HCG7 23Y 101 HCG7 EVG 1 47.280 39.110 -2.521 296 HCG4 23Y 101 HCG4 EVG 1 47.789 40.916 2.261 297 HCB1 23Y 101 HCB1 EVG 1 50.483 42.470 2.541 298 HCB2 23Y 101 HCB2 EVG 1 51.507 43.018 4.703 299 HOB3 23Y 101 HOB3 EVG 1 51.210 43.947 6.712 300 HCB4 23Y 101 HCB4 EVG 1 47.861 44.864 5.987 301 HCB5 23Y 101 HCB5 EVG 1 46.816 44.321 3.826 302 HCC1 23Y 101 HCC1 EVG 1 46.199 40.769 4.011 303 HOC2 23Y 101 HOC2 EVG 1 44.623 40.422 5.500 304 HCC3 23Y 101 HCC3 EVG 1 42.073 41.664 3.387 305 HOC4 23Y 101 HOC4 EVG 1 41.550 42.576 1.424 306 HCC5 23Y 101 HCC5 EVG 1 44.910 42.549 0.310 307 HCD1 23Y 101 HCD1 EVG 1 45.807 39.195 1.030 308 HCD2 23Y 101 HCD2 EVG 1 45.872 37.743 -1.624 309 HCE1 23Y 101 HCE1 EVG 1 42.774 36.139 2.762 310 HOE2 23Y 101 HOE2 EVG 1 41.624 34.280 2.283 311 HCE3 23Y 101 HCE3 EVG 1 42.989 34.069 -0.980 312 HCE4 23Y 101 HCE4 EVG 1 44.567 35.743 -1.832 313 HCE6 23Y 101 HCE6 EVG 1 44.343 37.823 1.945 314 HCF5 23Y 101 HCF5 EVG 1 49.466 40.369 -7.854 315 HCF1 23Y 101 HCF1 EVG 1 49.930 42.287 -4.244 316 HCF2 23Y 101 HCF2 EVG 1 51.474 40.418 -3.345 317 HOF2 23Y 101 HOF2 EVG 1 51.947 41.840 -5.729 318 HCF3 23Y 101 HCF3 EVG 1 52.426 38.895 -5.176 319 HOF3 23Y 101 HOF3 EVG 1 50.929 38.269 -3.539 320 HCF4 23Y 101 HCF4 EVG 1 50.733 38.223 -6.981 321 HOF4 23Y 101 HOF4 EVG 1 51.783 40.807 -7.331 322 HF61 23Y 101 HF61 EVG 1 48.208 38.718 -5.606 323 HF62 23Y 101 HF62 EVG 1 48.302 38.280 -7.316 324 HCF6 23Y 101 HCF6 EVG 1 47.123 40.673 -6.336 325 HCG9 23Y 102 HCG9 EVG 2 71.707 54.586 9.341 326 HCG3 23Y 102 HCG3 EVG 2 70.319 58.741 8.422 327 HCG7 23Y 102 HCG7 EVG 2 71.479 53.647 5.176 328 HCG4 23Y 102 HCG4 EVG 2 68.153 57.144 6.959 329 HCB1 23Y 102 HCB1 EVG 2 68.737 60.581 8.679 330 HCB2 23Y 102 HCB2 EVG 2 66.842 61.515 9.944 331 HOB3 23Y 102 HOB3 EVG 2 64.664 59.437 11.821 332 HCB4 23Y 102 HCB4 EVG 2 65.761 57.584 11.259 333 HCB5 23Y 102 HCB5 EVG 2 67.648 56.633 10.002 334 HCC1 23Y 102 HCC1 EVG 2 71.513 58.668 5.920 335 HOC2 23Y 102 HOC2 EVG 2 72.626 60.059 4.597 336 HCC3 23Y 102 HCC3 EVG 2 69.659 61.514 3.329 337 HOC4 23Y 102 HOC4 EVG 2 67.432 61.554 3.352 338 HCC5 23Y 102 HCC5 EVG 2 67.224 58.963 5.745 339 HCD1 23Y 102 HCD1 EVG 2 69.134 56.573 4.293 340 HCD2 23Y 102 HCD2 EVG 2 70.669 54.206 3.206 341 HCE1 23Y 102 HCE1 EVG 2 67.445 57.599 0.111 342 HOE2 23Y 102 HOE2 EVG 2 67.376 56.937 -1.968 343 HCE3 23Y 102 HCE3 EVG 2 69.530 54.171 -1.386 344 HCE4 23Y 102 HCE4 EVG 2 70.411 53.710 0.855 345 HCE6 23Y 102 HCE6 EVG 2 68.308 57.176 2.349 346 HCF5 23Y 102 HCF5 EVG 2 72.656 49.978 4.746 347 HCF1 23Y 102 HCF1 EVG 2 73.493 52.341 5.874 348 HCF2 23Y 102 HCF2 EVG 2 74.221 51.467 8.475 349 HOF2 23Y 102 HOF2 EVG 2 75.768 50.328 7.375 350 HCF3 23Y 102 HCF3 EVG 2 74.131 48.922 8.305 351 HOF3 23Y 102 HOF3 EVG 2 71.688 50.334 8.416 352 HCF4 23Y 102 HCF4 EVG 2 71.991 48.120 7.025 353 HOF4 23Y 102 HOF4 EVG 2 74.373 48.810 5.664 354 HF61 23Y 102 HF61 EVG 2 70.756 48.314 4.688 355 HF62 23Y 102 HF62 EVG 2 69.954 49.200 5.997 356 HCF6 23Y 102 HOF6 EVG 2 70.108 51.086 4.624 Start of MODEL 8 1 H1 ASP 1 1H ASP 1 51.232 15.026 2.157 2 H2 ASP 1 2H ASP 1 50.809 14.933 0.562 3 H3 ASP 1 3H ASP 1 49.709 14.536 1.747 4 HA ASP 1 HA ASP 1 49.171 16.734 0.878 5 HB2 ASP 1 2HB ASP 1 48.796 15.970 3.312 6 HB3 ASP 1 1HB ASP 1 50.310 16.762 3.764 7 H ALA 2 H ALA 2 50.248 18.051 -0.520 8 HA ALA 2 HA ALA 2 53.180 18.753 -0.070 9 HB1 ALA 2 1HB ALA 2 53.172 19.380 -2.467 10 HB2 ALA 2 2HB ALA 2 51.433 19.035 -2.594 11 HB3 ALA 2 3HB ALA 2 52.587 17.722 -2.238 12 H GLU 3 H GLU 3 50.249 20.644 -1.072 13 HA GLU 3 HA GLU 3 51.161 22.842 0.785 14 HB2 GLU 3 2HB GLU 3 51.028 24.667 -0.729 15 HB3 GLU 3 1HB GLU 3 52.265 23.532 -1.217 16 HG2 GLU 3 1HG GLU 3 50.747 22.696 -3.099 17 HG3 GLU 3 2HG GLU 3 49.519 23.867 -2.616 18 H PHE 4 H PHE 4 49.533 22.374 2.108 19 HA PHE 4 HA PHE 4 46.709 23.198 1.235 20 HB2 PHE 4 2HB PHE 4 47.451 20.680 2.850 21 HB3 PHE 4 1HB PHE 4 45.848 21.333 2.809 22 HD1 PHE 4 HD1 PHE 4 48.410 19.591 0.777 23 HD2 PHE 4 HD2 PHE 4 44.409 21.143 0.785 24 HE1 PHE 4 HE1 PHE 4 47.894 18.287 -1.259 25 HE2 PHE 4 HE2 PHE 4 43.906 19.848 -1.251 26 HZ PHE 4 HZ PHE 4 45.645 18.419 -2.273 27 H ARG 5 H ARG 5 46.051 24.802 2.468 28 HA ARG 5 HA ARG 5 47.376 25.417 5.157 29 HB2 ARG 5 1HB ARG 5 45.532 27.123 3.380 30 HB3 ARG 5 2HB ARG 5 46.011 27.585 5.001 31 HG2 ARG 5 1HG ARG 5 48.440 27.590 4.361 32 HG3 ARG 5 2HG ARG 5 48.029 27.087 2.720 33 HD2 ARG 5 2HD ARG 5 46.655 29.196 2.403 34 HD3 ARG 5 1HD ARG 5 47.079 29.728 4.045 35 HE ARG 5 HE ARG 5 49.620 29.222 2.905 36 HH11 ARG 5 2HH1 ARG 5 46.969 31.259 1.889 37 HH12 ARG 5 1HH1 ARG 5 48.103 32.400 1.022 38 HH21 ARG 5 2HH2 ARG 5 50.855 30.553 1.927 39 HH22 ARG 5 1HH2 ARG 5 50.192 32.009 1.061 40 H HIS 6 H HIS 6 46.406 24.675 6.920 41 HA HIS 6 HA HIS 6 43.587 23.642 6.887 42 HB2 HIS 6 1HB HIS 6 45.582 22.451 7.959 43 HB3 HIS 6 2HB HIS 6 45.612 23.678 9.209 44 HD2 HIS 6 HD2 HIS 6 43.443 20.723 7.873 45 HE1 HIS 6 HE1 HIS 6 42.025 21.623 11.693 46 HE2 HIS 6 HE2 HIS 6 41.772 19.900 9.787 47 H ASP 7 H ASP 7 45.216 26.162 8.896 48 HA ASP 7 HA ASP 7 42.510 27.234 9.762 49 HB2 ASP 7 1HB ASP 7 44.433 26.813 11.414 50 HB3 ASP 7 2HB ASP 7 45.319 28.134 10.659 51 H SER 8 H SER 8 41.625 28.836 8.675 52 HA SER 8 HA SER 8 43.294 30.801 7.006 53 HB2 SER 8 1HB SER 8 40.686 29.445 6.086 54 HB3 SER 8 2HB SER 8 41.457 30.812 5.270 55 HG SER 8 HG SER 8 42.028 28.663 4.477 56 H GLY 9 H GLY 9 42.939 32.783 7.657 57 HA2 GLY 9 1HA GLY 9 40.341 34.105 8.095 58 HA3 GLY 9 2HA GLY 9 40.956 33.566 9.655 59 H TYR 10 H TYR 10 41.154 35.985 7.316 60 HA TYR 10 HA TYR 10 43.805 37.115 8.321 61 HB2 TYR 10 1HB TYR 10 41.979 37.997 6.010 62 HB3 TYR 10 2HB TYR 10 43.361 38.902 6.533 63 HD1 TYR 10 HD1 TYR 10 42.325 35.755 4.844 64 HD2 TYR 10 HD2 TYR 10 45.672 38.100 6.142 65 HE1 TYR 10 HE1 TYR 10 43.820 34.440 3.390 66 HE2 TYR 10 HE2 TYR 10 47.153 36.821 4.659 67 HH TYR 10 HH TYR 10 47.298 35.162 3.212 68 H GLU 11 H GLU 11 43.631 38.136 10.175 69 HA GLU 11 HA GLU 11 41.590 40.370 10.496 70 HB2 GLU 11 2HB GLU 11 41.003 39.871 12.742 71 HB3 GLU 11 1HB GLU 11 40.534 38.580 11.660 72 HG2 GLU 11 1HG GLU 11 42.438 37.135 12.537 73 HG3 GLU 11 2HG GLU 11 42.925 38.436 13.626 74 H VAL 12 H VAL 12 43.105 41.790 9.963 75 HA VAL 12 HA VAL 12 45.251 42.417 12.068 76 HB VAL 12 HB VAL 12 45.703 42.648 9.035 77 HG11 VAL 12 1HG2 VAL 12 46.842 44.524 10.317 78 HG12 VAL 12 2HG2 VAL 12 48.015 43.414 9.592 79 HG13 VAL 12 3HG2 VAL 12 47.671 43.328 11.337 80 HG21 VAL 12 1HG1 VAL 12 47.544 40.974 9.318 81 HG22 VAL 12 2HG1 VAL 12 46.004 40.261 9.820 82 HG23 VAL 12 3HG1 VAL 12 47.162 40.797 11.052 83 H HIS 13 H HIS 13 44.164 44.034 13.015 84 HA HIS 13 HA HIS 13 42.490 46.004 11.459 85 HB2 HIS 13 1HB HIS 13 43.011 45.743 14.485 86 HB3 HIS 13 2HB HIS 13 42.063 47.028 13.779 87 HD2 HIS 13 HD2 HIS 13 41.848 43.230 14.513 88 HE1 HIS 13 HE1 HIS 13 38.086 44.427 13.166 89 HE2 HIS 13 HE2 HIS 13 39.328 42.420 14.216 90 H HIS 14 H HIS 14 45.358 46.439 13.589 91 HA HIS 14 HA HIS 14 45.905 49.131 12.210 92 HB2 HIS 14 1HB HIS 14 47.080 48.000 14.822 93 HB3 HIS 14 2HB HIS 14 47.666 49.437 14.019 94 HD2 HIS 14 HD2 HIS 14 44.649 48.204 16.093 95 HE1 HIS 14 HE1 HIS 14 44.178 52.323 15.631 96 HE2 HIS 14 HE2 HIS 14 43.198 50.298 16.895 97 H GLN 15 H GLN 15 47.050 48.821 10.439 98 HA GLN 15 HA GLN 15 49.084 46.564 10.175 99 HB2 GLN 15 2HB GLN 15 47.255 46.934 8.484 100 HB3 GLN 15 1HB GLN 15 47.939 48.506 8.086 101 HG2 GLN 15 1HG GLN 15 50.077 47.353 7.300 102 HG3 GLN 15 2HG GLN 15 49.398 45.788 7.725 103 HE21 GLN 15 1HE2 GLN 15 47.821 44.904 6.307 104 HE22 GLN 15 2HE2 GLN 15 47.381 45.737 4.734 105 H LYS 16 H LYS 16 50.786 47.260 11.402 106 HA LYS 16 HA LYS 16 52.123 49.960 10.822 107 HB2 LYS 16 2HB LYS 16 51.609 49.243 13.194 108 HB3 LYS 16 1HB LYS 16 52.755 47.919 13.022 109 HG2 LYS 16 2HG LYS 16 54.604 49.645 12.585 110 HG3 LYS 16 1HG LYS 16 53.422 50.941 12.788 111 HD2 LYS 16 1HD LYS 16 52.956 50.085 15.187 112 HD3 LYS 16 2HD LYS 16 54.134 48.823 14.922 113 HE2 LYS 16 1HE LYS 16 55.373 50.386 16.162 114 HE3 LYS 16 2HE LYS 16 55.948 50.646 14.524 115 HZ1 LYS 16 2HZ LYS 16 55.385 52.806 15.639 116 HZ2 LYS 16 3HZ LYS 16 53.837 52.330 15.905 117 HZ3 LYS 16 1HZ LYS 16 54.356 52.597 14.375 118 H LEU 17 H LEU 17 52.486 49.204 8.705 119 HA LEU 17 HA LEU 17 55.190 48.166 8.109 120 HB2 LEU 17 1HB LEU 17 53.901 45.943 8.495 121 HB3 LEU 17 2HB LEU 17 52.801 46.414 7.225 122 HG LEU 17 HG LEU 17 54.917 46.493 5.630 123 HD11 LEU 17 2HD1 LEU 17 56.703 46.376 7.441 124 HD12 LEU 17 3HD1 LEU 17 56.122 44.757 7.898 125 HD13 LEU 17 1HD1 LEU 17 56.829 45.034 6.291 126 HD21 LEU 17 1HD2 LEU 17 54.775 44.052 5.184 127 HD22 LEU 17 2HD2 LEU 17 53.164 44.725 5.479 128 HD23 LEU 17 3HD2 LEU 17 53.976 43.775 6.749 129 H VAL 18 H VAL 18 55.722 49.114 6.140 130 HA VAL 18 HA VAL 18 53.627 50.792 4.736 131 HB VAL 18 HB VAL 18 56.584 50.607 3.991 132 HG11 VAL 18 1HG1 VAL 18 56.158 52.798 2.833 133 HG12 VAL 18 2HG1 VAL 18 54.449 52.762 3.324 134 HG13 VAL 18 3HG1 VAL 18 55.079 51.556 2.179 135 HG21 VAL 18 1HG2 VAL 18 55.256 52.762 5.787 136 HG22 VAL 18 2HG2 VAL 18 56.938 52.768 5.199 137 HG23 VAL 18 3HG2 VAL 18 56.408 51.533 6.345 138 H PHE 19 H PHE 19 52.292 49.332 3.815 139 HA PHE 19 HA PHE 19 53.120 46.902 2.440 140 HB2 PHE 19 2HB PHE 19 50.882 47.401 3.650 141 HB3 PHE 19 1HB PHE 19 50.386 48.327 2.263 142 HD1 PHE 19 HD1 PHE 19 51.047 44.911 3.571 143 HD2 PHE 19 HD2 PHE 19 49.810 47.135 0.101 144 HE1 PHE 19 HE1 PHE 19 50.210 42.840 2.521 145 HE2 PHE 19 HE2 PHE 19 48.975 45.059 -0.922 146 HZ PHE 19 HZ PHE 19 49.164 42.914 0.289 147 H PHE 20 H PHE 20 53.300 46.366 0.312 148 HA PHE 20 HA PHE 20 53.618 48.601 -1.730 149 HB2 PHE 20 1HB PHE 20 54.375 45.621 -1.868 150 HB3 PHE 20 2HB PHE 20 54.482 46.699 -3.226 151 HD1 PHE 20 HD1 PHE 20 56.185 48.526 -3.331 152 HD2 PHE 20 HD2 PHE 20 56.000 45.885 0.059 153 HE1 PHE 20 HE1 PHE 20 58.433 49.251 -2.632 154 HE2 PHE 20 HE2 PHE 20 58.245 46.623 0.747 155 HZ PHE 20 HZ PHE 20 59.466 48.303 -0.596 156 H ALA 21 H ALA 21 51.890 49.149 -2.849 157 HA ALA 21 HA ALA 21 49.449 47.497 -3.170 158 HB1 ALA 21 1HB ALA 21 50.335 50.160 -4.501 159 HB2 ALA 21 2HB ALA 21 48.685 49.507 -4.500 160 HB3 ALA 21 3HB ALA 21 49.430 50.005 -2.970 161 H GLU 22 H GLU 22 48.534 46.656 -5.095 162 HA GLU 22 HA GLU 22 50.407 45.386 -7.003 163 HB2 GLU 22 2HB GLU 22 47.342 45.444 -6.903 164 HB3 GLU 22 1HB GLU 22 48.244 44.615 -8.152 165 HG2 GLU 22 2HG GLU 22 49.352 43.107 -6.472 166 HG3 GLU 22 1HG GLU 22 48.496 43.910 -5.155 167 H ASP 23 H ASP 23 51.420 47.172 -7.829 168 HA ASP 23 HA ASP 23 50.163 48.339 -10.372 169 HB2 ASP 23 2HB ASP 23 50.179 49.966 -8.328 170 HB3 ASP 23 1HB ASP 23 51.932 49.995 -8.450 171 H VAL 24 H VAL 24 53.233 47.493 -8.756 172 HA VAL 24 HA VAL 24 54.489 47.110 -11.491 173 HB VAL 24 HB VAL 24 55.185 49.326 -10.611 174 HG11 VAL 24 1HG1 VAL 24 56.881 49.615 -8.849 175 HG12 VAL 24 2HG1 VAL 24 56.896 47.870 -8.488 176 HG13 VAL 24 3HG1 VAL 24 55.450 48.843 -8.139 177 HG21 VAL 24 1HG2 VAL 24 57.547 47.385 -11.001 178 HG22 VAL 24 2HG2 VAL 24 56.560 48.099 -12.303 179 HG23 VAL 24 3HG2 VAL 24 57.544 49.147 -11.269 180 H GLY 25 H GLY 25 55.183 45.136 -11.719 181 HA2 GLY 25 1HA GLY 25 56.416 43.496 -9.467 182 HA3 GLY 25 2HA GLY 25 54.853 42.922 -10.029 183 H SER 26 H SER 26 58.134 43.661 -11.054 184 HA SER 26 HA SER 26 57.899 41.646 -13.356 185 HB2 SER 26 2HB SER 26 59.477 43.012 -14.644 186 HB3 SER 26 1HB SER 26 58.047 43.949 -14.217 187 HG SER 26 HG SER 26 59.957 45.133 -13.857 188 H ASN 27 H ASN 27 59.313 40.026 -13.385 189 HA ASN 27 HA ASN 27 61.466 39.804 -11.259 190 HB2 ASN 27 2HB ASN 27 60.443 37.787 -13.339 191 HB3 ASN 27 1HB ASN 27 61.802 37.472 -12.293 192 HD21 ASN 27 1HD2 ASN 27 61.405 37.171 -10.006 193 HD22 ASN 27 2HD2 ASN 27 59.678 36.844 -9.454 194 H LYS 28 H LYS 28 63.005 41.226 -11.776 195 HA LYS 28 HA LYS 28 64.246 41.365 -14.536 196 HB2 LYS 28 1HB LYS 28 64.806 42.956 -11.955 197 HB3 LYS 28 2HB LYS 28 65.750 43.152 -13.418 198 HG2 LYS 28 2HG LYS 28 63.710 43.887 -14.716 199 HG3 LYS 28 1HG LYS 28 62.711 43.606 -13.306 200 HD2 LYS 28 2HD LYS 28 62.988 45.902 -13.203 201 HD3 LYS 28 1HD LYS 28 64.152 45.348 -12.015 202 HE2 LYS 28 2HE LYS 28 66.030 45.649 -13.768 203 HE3 LYS 28 1HE LYS 28 64.826 46.188 -14.941 204 HZ1 LYS 28 2HZ LYS 28 65.822 48.145 -13.763 205 HZ2 LYS 28 3HZ LYS 28 64.230 48.054 -13.373 206 HZ3 LYS 28 1HZ LYS 28 65.360 47.563 -12.298 207 H GLY 29 H GLY 29 66.259 40.731 -15.060 208 HA2 GLY 29 1HA GLY 29 68.571 40.014 -13.666 209 HA3 GLY 29 2HA GLY 29 67.588 38.591 -13.345 210 H ALA 30 H ALA 30 66.995 37.261 -15.095 211 HA ALA 30 HA ALA 30 68.391 37.728 -17.790 212 HB1 ALA 30 1HB ALA 30 68.335 35.068 -16.205 213 HB2 ALA 30 2HB ALA 30 69.757 36.115 -16.446 214 HB3 ALA 30 3HB ALA 30 69.008 35.299 -17.835 215 H ILE 31 H ILE 31 66.969 37.626 -19.422 216 HA ILE 31 HA ILE 31 64.236 36.331 -19.017 217 HB ILE 31 HB ILE 31 63.505 37.323 -21.115 218 HG12 ILE 31 1HG1 ILE 31 65.764 39.388 -21.126 219 HG13 ILE 31 2HG1 ILE 31 66.018 37.882 -21.972 220 HG21 ILE 31 2HG2 ILE 31 62.940 38.352 -18.917 221 HG22 ILE 31 3HG2 ILE 31 64.376 39.391 -19.002 222 HG23 ILE 31 1HG2 ILE 31 63.061 39.582 -20.183 223 HD11 ILE 31 1HD1 ILE 31 63.675 39.806 -22.571 224 HD12 ILE 31 2HD1 ILE 31 65.134 39.554 -23.557 225 HD13 ILE 31 3HD1 ILE 31 63.952 38.242 -23.380 226 H ILE 32 H ILE 32 64.075 34.269 -19.527 227 HA ILE 32 HA ILE 32 65.911 33.021 -21.602 228 HB ILE 32 HB ILE 32 64.976 30.831 -21.030 229 HG12 ILE 32 2HG1 ILE 32 63.805 31.870 -18.399 230 HG13 ILE 32 1HG1 ILE 32 62.792 31.867 -19.821 231 HG21 ILE 32 3HG2 ILE 32 66.311 32.285 -18.666 232 HG22 ILE 32 1HG2 ILE 32 67.140 31.613 -20.086 233 HG23 ILE 32 2HG2 ILE 32 66.312 30.529 -18.956 234 HD11 ILE 32 1HD1 ILE 32 63.110 29.400 -20.152 235 HD12 ILE 32 2HD1 ILE 32 64.138 29.327 -18.694 236 HD13 ILE 32 3HD1 ILE 32 62.422 29.782 -18.566 237 H GLY 33 H GLY 33 65.331 32.829 -23.629 238 HA2 GLY 33 1HA GLY 33 62.481 33.354 -24.562 239 HA3 GLY 33 2HA GLY 33 63.885 33.196 -25.588 240 H LEU 34 H LEU 34 61.747 31.311 -23.518 241 HA LEU 34 HA LEU 34 61.786 29.005 -25.549 242 HB2 LEU 34 1HB LEU 34 62.063 28.723 -22.498 243 HB3 LEU 34 2HB LEU 34 61.635 27.385 -23.534 244 HG LEU 34 HG LEU 34 64.269 28.926 -23.930 245 HD11 LEU 34 2HD1 LEU 34 64.218 28.007 -21.600 246 HD12 LEU 34 3HD1 LEU 34 63.813 26.389 -22.219 247 HD13 LEU 34 1HD1 LEU 34 65.387 27.132 -22.597 248 HD21 LEU 34 1HD2 LEU 34 63.558 27.464 -25.883 249 HD22 LEU 34 2HD2 LEU 34 65.020 26.849 -25.096 250 HD23 LEU 34 3HD2 LEU 34 63.456 26.059 -24.795 251 H MET 35 H MET 35 59.772 28.693 -26.218 252 HA MET 35 HA MET 35 57.374 29.651 -24.592 253 HB2 MET 35 1HB MET 35 57.600 28.711 -27.513 254 HB3 MET 35 2HB MET 35 56.072 28.999 -26.709 255 HG2 MET 35 1HG MET 35 56.647 31.415 -26.313 256 HG3 MET 35 2HG MET 35 58.217 31.177 -27.110 257 HE1 MET 35 2HE MET 35 56.161 33.145 -29.831 258 HE2 MET 35 1HE MET 35 57.658 33.093 -28.853 259 HE3 MET 35 3HE MET 35 56.073 33.356 -28.057 260 H VAL 36 H VAL 36 56.431 28.243 -23.300 261 HA VAL 36 HA VAL 36 56.532 25.216 -23.869 262 HB VAL 36 HB VAL 36 56.074 26.610 -21.183 263 HG11 VAL 36 1HG1 VAL 36 56.309 23.571 -21.769 264 HG12 VAL 36 2HG1 VAL 36 54.805 24.417 -21.341 265 HG13 VAL 36 3HG1 VAL 36 56.126 24.329 -20.169 266 HG21 VAL 36 1HG2 VAL 36 58.521 26.660 -21.881 267 HG22 VAL 36 2HG2 VAL 36 58.259 25.621 -20.472 268 HG23 VAL 36 3HG2 VAL 36 58.503 24.896 -22.082 269 H GLY 37 H GLY 37 54.823 24.929 -25.160 270 HA2 GLY 37 1HA GLY 37 52.029 25.204 -24.178 271 HA3 GLY 37 2HA GLY 37 52.386 26.506 -25.304 272 H GLY 38 H GLY 38 52.899 25.928 -27.483 273 HA2 GLY 38 1HA GLY 38 51.544 23.359 -28.461 274 HA3 GLY 38 2HA GLY 38 51.939 24.731 -29.465 275 H VAL 39 H VAL 39 54.187 25.014 -30.089 276 HA VAL 39 HA VAL 39 55.654 22.369 -30.390 277 HB VAL 39 HB VAL 39 55.040 23.597 -32.427 278 HG11 VAL 39 1HG2 VAL 39 57.206 25.702 -31.787 279 HG12 VAL 39 2HG2 VAL 39 56.250 25.558 -33.282 280 HG13 VAL 39 3HG2 VAL 39 55.456 26.014 -31.764 281 HG21 VAL 39 1HG1 VAL 39 56.916 21.941 -32.434 282 HG22 VAL 39 2HG1 VAL 39 58.085 23.253 -32.147 283 HG23 VAL 39 3HG1 VAL 39 57.130 23.211 -33.650 284 H VAL 40 H VAL 40 57.252 21.905 -29.024 285 HA VAL 40 HA VAL 40 58.619 24.103 -27.405 286 HB VAL 40 HB VAL 40 59.524 22.372 -25.931 287 HG11 VAL 40 1HG2 VAL 40 56.445 22.368 -25.912 288 HG12 VAL 40 2HG2 VAL 40 57.492 23.657 -25.267 289 HG13 VAL 40 3HG2 VAL 40 57.523 22.042 -24.529 290 HG21 VAL 40 1HG1 VAL 40 59.340 20.282 -27.319 291 HG22 VAL 40 2HG1 VAL 40 58.629 20.090 -25.709 292 HG23 VAL 40 3HG1 VAL 40 57.572 20.303 -27.128 293 HCG9 23Y 101 HCG9 EVG 1 44.850 46.802 3.980 294 HCG3 23Y 101 HCG3 EVG 1 44.491 42.527 5.396 295 HCG7 23Y 101 HCG7 EVG 1 42.740 45.748 0.421 296 HCG4 23Y 101 HCG4 EVG 1 45.558 42.043 2.573 297 HCB1 23Y 101 HCB1 EVG 1 45.509 40.451 6.131 298 HCB2 23Y 101 HCB2 EVG 1 47.558 39.267 6.824 299 HOB3 23Y 101 HOB3 EVG 1 49.780 39.207 6.727 300 HCB4 23Y 101 HCB4 EVG 1 49.949 42.171 4.794 301 HCB5 23Y 101 HCB5 EVG 1 47.909 43.343 4.047 302 HCC1 23Y 101 HCC1 EVG 1 42.070 42.287 4.174 303 HOC2 23Y 101 HOC2 EVG 1 40.087 41.339 4.534 304 HCC3 23Y 101 HCC3 EVG 1 41.139 38.231 3.185 305 HOC4 23Y 101 HOC4 EVG 1 44.423 37.647 2.018 306 HCC5 23Y 101 HCC5 EVG 1 45.045 39.757 2.374 307 HCD1 23Y 101 HCD1 EVG 1 43.335 41.959 0.739 308 HCD2 23Y 101 HCD2 EVG 1 42.079 44.165 -0.906 309 HCE1 23Y 101 HCE1 EVG 1 41.844 38.724 -2.236 310 HOE2 23Y 101 HOE2 EVG 1 40.776 38.427 -4.169 311 HCE3 23Y 101 HCE3 EVG 1 40.187 41.897 -4.585 312 HCE4 23Y 101 HCE4 EVG 1 40.984 43.543 -2.950 313 HCE6 23Y 101 HCE6 EVG 1 42.644 40.333 -0.586 314 HCF5 23Y 101 HCF5 EVG 1 44.481 50.273 4.789 315 HCF1 23Y 101 HCF1 EVG 1 44.879 48.985 2.578 316 HCF2 23Y 101 HCF2 EVG 1 42.185 49.954 1.446 317 HOF2 23Y 101 HOF2 EVG 1 43.506 50.831 -0.126 318 HCF3 23Y 101 HCF3 EVG 1 44.452 51.753 2.495 319 HOF3 23Y 101 HOF3 EVG 1 43.142 52.670 0.935 320 HCF4 23Y 101 HCF4 EVG 1 41.717 51.282 3.827 321 HOF4 23Y 101 HOF4 EVG 1 44.085 52.697 4.515 322 HF61 23Y 101 HF61 EVG 1 41.648 49.746 5.893 323 HF62 23Y 101 HF62 EVG 1 43.134 48.976 6.458 324 HCF6 23Y 101 HCF6 EVG 1 42.707 51.793 6.394 325 HCG9 23Y 102 HCG9 EVG 2 54.752 44.127 -26.241 326 HCG3 23Y 102 HCG3 EVG 2 53.707 40.057 -24.690 327 HCG7 23Y 102 HCG7 EVG 2 58.306 44.059 -23.870 328 HCG4 23Y 102 HCG4 EVG 2 54.241 41.505 -22.045 329 HCB1 23Y 102 HCB1 EVG 2 52.211 38.530 -23.513 330 HCB2 23Y 102 HCB2 EVG 2 49.970 38.153 -22.563 331 HOB3 23Y 102 HOB3 EVG 2 47.884 40.859 -21.610 332 HCB4 23Y 102 HCB4 EVG 2 49.387 42.383 -22.222 333 HCB5 23Y 102 HCB5 EVG 2 51.620 42.778 -23.169 334 HCC1 23Y 102 HCC1 EVG 2 54.238 39.564 -20.673 335 HOC2 23Y 102 HOC2 EVG 2 55.547 36.441 -19.667 336 HCC3 23Y 102 HCC3 EVG 2 56.741 36.213 -21.529 337 HOC4 23Y 102 HOC4 EVG 2 57.803 36.247 -23.479 338 HCC5 23Y 102 HCC5 EVG 2 56.406 39.369 -24.389 339 HCD1 23Y 102 HCD1 EVG 2 57.086 41.278 -21.494 340 HCD2 23Y 102 HCD2 EVG 2 59.359 43.151 -22.174 341 HCE1 23Y 102 HCE1 EVG 2 59.438 39.522 -17.889 342 HOE2 23Y 102 HOE2 EVG 2 61.370 39.718 -16.705 343 HCE3 23Y 102 HCE3 EVG 2 62.570 42.287 -18.821 344 HCE4 23Y 102 HCE4 EVG 2 61.282 43.127 -20.733 345 HCE6 23Y 102 HCE6 EVG 2 58.129 40.335 -19.786 346 HCF5 23Y 102 HCF5 EVG 2 60.478 46.817 -24.528 347 HCF1 23Y 102 HCF1 EVG 2 59.096 45.214 -26.048 348 HCF2 23Y 102 HCF2 EVG 2 57.353 47.572 -26.990 349 HOF2 23Y 102 HOF2 EVG 2 58.453 47.033 -28.973 350 HCF3 23Y 102 HCF3 EVG 2 60.421 47.363 -27.179 351 HOF3 23Y 102 HOF3 EVG 2 58.636 49.524 -27.621 352 HCF4 23Y 102 HCF4 EVG 2 58.787 49.256 -25.377 353 HOF4 23Y 102 HOF4 EVG 2 61.557 48.671 -25.659 354 HF61 23Y 102 HF61 EVG 2 60.442 48.634 -22.804 355 HF62 23Y 102 HF62 EVG 2 59.614 47.167 -22.277 356 HCF6 23Y 102 HOF6 EVG 2 58.319 49.451 -23.386 Start of MODEL 9 1 H1 ASP 1 1H ASP 1 35.929 10.921 6.499 2 H2 ASP 1 2H ASP 1 36.768 12.051 7.377 3 H3 ASP 1 3H ASP 1 35.134 11.943 7.556 4 HA ASP 1 HA ASP 1 34.757 12.690 5.282 5 HB2 ASP 1 1HB ASP 1 36.461 14.515 7.117 6 HB3 ASP 1 2HB ASP 1 35.625 15.084 5.683 7 H ALA 2 H ALA 2 35.570 12.570 3.274 8 HA ALA 2 HA ALA 2 38.454 11.968 2.786 9 HB1 ALA 2 1HB ALA 2 36.638 10.763 1.583 10 HB2 ALA 2 2HB ALA 2 36.087 12.282 0.824 11 HB3 ALA 2 3HB ALA 2 37.688 11.616 0.437 12 H GLU 3 H GLU 3 36.408 14.808 1.953 13 HA GLU 3 HA GLU 3 38.778 16.201 0.675 14 HB2 GLU 3 1HB GLU 3 36.409 16.196 -0.327 15 HB3 GLU 3 2HB GLU 3 35.893 17.211 1.013 16 HG2 GLU 3 2HG GLU 3 37.611 18.988 0.245 17 HG3 GLU 3 1HG GLU 3 38.048 17.934 -1.104 18 H PHE 4 H PHE 4 40.074 17.411 1.880 19 HA PHE 4 HA PHE 4 39.378 18.222 4.713 20 HB2 PHE 4 1HB PHE 4 42.007 18.475 3.124 21 HB3 PHE 4 2HB PHE 4 41.802 19.077 4.740 22 HD1 PHE 4 HD1 PHE 4 41.620 17.544 6.703 23 HD2 PHE 4 HD2 PHE 4 42.084 15.970 2.726 24 HE1 PHE 4 HE1 PHE 4 42.225 15.344 7.632 25 HE2 PHE 4 HE2 PHE 4 42.681 13.780 3.670 26 HZ PHE 4 HZ PHE 4 42.755 13.461 6.121 27 H ARG 5 H ARG 5 38.579 20.156 5.207 28 HA ARG 5 HA ARG 5 38.473 22.412 3.170 29 HB2 ARG 5 2HB ARG 5 37.163 22.128 5.930 30 HB3 ARG 5 1HB ARG 5 37.052 23.580 4.974 31 HG2 ARG 5 2HG ARG 5 36.061 20.853 3.929 32 HG3 ARG 5 1HG ARG 5 35.055 21.891 4.899 33 HD2 ARG 5 1HD ARG 5 36.278 22.781 2.196 34 HD3 ARG 5 2HD ARG 5 34.707 21.987 2.353 35 HE ARG 5 HE ARG 5 34.540 24.195 4.175 36 HH11 ARG 5 2HH2 ARG 5 35.000 23.865 0.732 37 HH12 ARG 5 1HH2 ARG 5 34.210 25.483 0.408 38 HH21 ARG 5 1HH1 ARG 5 33.635 26.012 3.755 39 HH22 ARG 5 2HH1 ARG 5 33.471 26.616 2.047 40 H HIS 6 H HIS 6 39.958 23.943 3.161 41 HA HIS 6 HA HIS 6 41.409 24.770 5.732 42 HB2 HIS 6 2HB HIS 6 42.838 23.276 4.202 43 HB3 HIS 6 1HB HIS 6 42.737 24.505 2.959 44 HD2 HIS 6 HD2 HIS 6 44.335 23.783 6.430 45 HE1 HIS 6 HE1 HIS 6 46.208 27.207 4.952 46 HE2 HIS 6 HE2 HIS 6 46.348 25.484 6.868 47 H ASP 7 H ASP 7 40.655 26.727 6.151 48 HA ASP 7 HA ASP 7 40.627 28.861 3.988 49 HB2 ASP 7 1HB ASP 7 38.513 29.795 4.708 50 HB3 ASP 7 2HB ASP 7 38.325 28.175 4.082 51 H SER 8 H SER 8 41.994 30.346 4.560 52 HA SER 8 HA SER 8 42.852 30.712 7.441 53 HB2 SER 8 1HB SER 8 44.572 30.502 5.635 54 HB3 SER 8 2HB SER 8 43.971 31.978 4.871 55 HG SER 8 HG SER 8 44.992 31.770 7.539 56 H GLY 9 H GLY 9 42.070 32.245 8.692 57 HA2 GLY 9 1HA GLY 9 40.257 34.465 7.667 58 HA3 GLY 9 2HA GLY 9 40.506 34.034 9.345 59 H TYR 10 H TYR 10 41.213 36.342 7.115 60 HA TYR 10 HA TYR 10 43.876 37.198 8.252 61 HB2 TYR 10 2HB TYR 10 43.999 38.877 6.603 62 HB3 TYR 10 1HB TYR 10 43.602 37.363 5.863 63 HD1 TYR 10 HD2 TYR 10 41.226 36.990 4.920 64 HD2 TYR 10 HD1 TYR 10 42.527 40.830 6.361 65 HE1 TYR 10 HE2 TYR 10 39.314 38.071 3.806 66 HE2 TYR 10 HE1 TYR 10 40.623 41.892 5.231 67 HH TYR 10 HH TYR 10 38.845 41.596 3.965 68 H GLU 11 H GLU 11 43.393 37.528 10.397 69 HA GLU 11 HA GLU 11 41.605 39.918 11.090 70 HB2 GLU 11 1HB GLU 11 41.351 39.138 13.281 71 HB3 GLU 11 2HB GLU 11 40.876 37.911 12.132 72 HG2 GLU 11 2HG GLU 11 43.008 36.601 12.640 73 HG3 GLU 11 1HG GLU 11 43.487 37.845 13.798 74 H VAL 12 H VAL 12 42.968 41.477 10.432 75 HA VAL 12 HA VAL 12 45.030 42.305 12.458 76 HB VAL 12 HB VAL 12 46.717 43.101 10.817 77 HG11 VAL 12 1HG2 VAL 12 46.511 40.033 10.903 78 HG12 VAL 12 2HG2 VAL 12 47.124 41.056 12.217 79 HG13 VAL 12 3HG2 VAL 12 47.988 40.998 10.667 80 HG21 VAL 12 1HG1 VAL 12 45.460 42.907 8.621 81 HG22 VAL 12 2HG1 VAL 12 47.031 42.092 8.592 82 HG23 VAL 12 3HG1 VAL 12 45.531 41.141 8.746 83 H HIS 13 H HIS 13 43.967 44.031 13.134 84 HA HIS 13 HA HIS 13 42.478 45.848 11.263 85 HB2 HIS 13 2HB HIS 13 42.826 45.923 14.321 86 HB3 HIS 13 1HB HIS 13 41.961 47.150 13.432 87 HD2 HIS 13 HD2 HIS 13 39.602 46.474 12.190 88 HE1 HIS 13 HE1 HIS 13 39.074 42.879 14.240 89 HE2 HIS 13 HE2 HIS 13 37.822 44.561 12.740 90 H HIS 14 H HIS 14 45.292 46.435 13.423 91 HA HIS 14 HA HIS 14 45.782 49.110 12.037 92 HB2 HIS 14 1HB HIS 14 47.212 47.820 14.443 93 HB3 HIS 14 2HB HIS 14 47.718 49.318 13.682 94 HD2 HIS 14 HD2 HIS 14 45.015 47.965 16.065 95 HE1 HIS 14 HE1 HIS 14 44.365 52.074 15.744 96 HE2 HIS 14 HE2 HIS 14 43.627 50.003 17.091 97 H GLN 15 H GLN 15 47.141 49.276 10.408 98 HA GLN 15 HA GLN 15 49.010 46.997 9.619 99 HB2 GLN 15 1HB GLN 15 47.335 47.960 8.018 100 HB3 GLN 15 2HB GLN 15 48.127 49.525 8.096 101 HG2 GLN 15 2HG GLN 15 50.193 48.563 7.058 102 HG3 GLN 15 1HG GLN 15 49.516 46.932 7.142 103 HE21 GLN 15 1HE2 GLN 15 50.260 47.360 4.808 104 HE22 GLN 15 2HE2 GLN 15 48.900 47.913 3.690 105 H LYS 16 H LYS 16 50.676 47.177 11.067 106 HA LYS 16 HA LYS 16 52.249 49.818 11.310 107 HB2 LYS 16 2HB LYS 16 52.345 47.275 13.025 108 HB3 LYS 16 1HB LYS 16 53.540 48.549 13.117 109 HG2 LYS 16 2HG LYS 16 51.789 50.242 13.758 110 HG3 LYS 16 1HG LYS 16 50.535 49.009 13.657 111 HD2 LYS 16 1HD LYS 16 51.760 47.669 15.500 112 HD3 LYS 16 2HD LYS 16 52.981 48.916 15.548 113 HE2 LYS 16 1HE LYS 16 51.655 49.451 17.415 114 HE3 LYS 16 2HE LYS 16 51.156 50.640 16.224 115 HZ1 LYS 16 2HZ LYS 16 49.665 48.072 16.826 116 HZ2 LYS 16 3HZ LYS 16 49.172 49.181 15.723 117 HZ3 LYS 16 1HZ LYS 16 49.188 49.564 17.320 118 H LEU 17 H LEU 17 52.604 49.427 9.025 119 HA LEU 17 HA LEU 17 55.358 48.443 8.486 120 HB2 LEU 17 1HB LEU 17 53.907 46.327 8.299 121 HB3 LEU 17 2HB LEU 17 53.069 47.023 6.938 122 HG LEU 17 HG LEU 17 56.140 46.642 6.960 123 HD11 LEU 17 2HD1 LEU 17 55.817 44.438 5.834 124 HD12 LEU 17 3HD1 LEU 17 54.051 44.575 5.995 125 HD13 LEU 17 1HD1 LEU 17 55.077 44.420 7.442 126 HD21 LEU 17 1HD2 LEU 17 55.929 46.522 4.462 127 HD22 LEU 17 2HD2 LEU 17 55.282 48.054 5.029 128 HD23 LEU 17 3HD2 LEU 17 54.169 46.754 4.562 129 H VAL 18 H VAL 18 56.137 49.935 7.056 130 HA VAL 18 HA VAL 18 54.394 52.037 5.946 131 HB VAL 18 HB VAL 18 56.626 52.477 6.829 132 HG11 VAL 18 1HG1 VAL 18 57.874 51.381 4.225 133 HG12 VAL 18 2HG1 VAL 18 58.712 52.196 5.563 134 HG13 VAL 18 3HG1 VAL 18 57.999 50.592 5.811 135 HG21 VAL 18 1HG2 VAL 18 56.320 53.485 3.937 136 HG22 VAL 18 2HG2 VAL 18 55.483 54.149 5.362 137 HG23 VAL 18 3HG2 VAL 18 57.247 54.249 5.250 138 H PHE 19 H PHE 19 52.917 51.219 4.591 139 HA PHE 19 HA PHE 19 53.500 49.376 2.373 140 HB2 PHE 19 1HB PHE 19 51.300 49.556 3.657 141 HB3 PHE 19 2HB PHE 19 50.951 51.044 2.825 142 HD1 PHE 19 HD1 PHE 19 51.268 47.347 2.437 143 HD2 PHE 19 HD2 PHE 19 50.319 51.007 0.385 144 HE1 PHE 19 HE1 PHE 19 50.222 46.064 0.615 145 HE2 PHE 19 HE2 PHE 19 49.307 49.705 -1.445 146 HZ PHE 19 HZ PHE 19 49.251 47.237 -1.330 147 H PHE 20 H PHE 20 54.571 49.958 0.611 148 HA PHE 20 HA PHE 20 54.515 52.798 -0.443 149 HB2 PHE 20 1HB PHE 20 56.373 52.220 -1.882 150 HB3 PHE 20 2HB PHE 20 56.712 51.986 -0.204 151 HD1 PHE 20 HD2 PHE 20 56.236 50.251 -3.455 152 HD2 PHE 20 HD1 PHE 20 57.217 49.717 0.692 153 HE1 PHE 20 HE2 PHE 20 57.075 47.989 -3.945 154 HE2 PHE 20 HE1 PHE 20 58.066 47.458 0.193 155 HZ PHE 20 HZ PHE 20 57.992 46.586 -2.123 156 H ALA 21 H ALA 21 52.860 53.263 -1.708 157 HA ALA 21 HA ALA 21 51.746 51.270 -3.734 158 HB1 ALA 21 1HB ALA 21 50.847 54.126 -3.009 159 HB2 ALA 21 2HB ALA 21 50.005 52.990 -4.086 160 HB3 ALA 21 3HB ALA 21 50.170 52.606 -2.361 161 H GLU 22 H GLU 22 54.057 51.295 -4.508 162 HA GLU 22 HA GLU 22 54.542 53.394 -6.697 163 HB2 GLU 22 1HB GLU 22 56.504 51.394 -5.397 164 HB3 GLU 22 2HB GLU 22 56.901 52.469 -6.716 165 HG2 GLU 22 1HG GLU 22 56.465 54.497 -5.252 166 HG3 GLU 22 2HG GLU 22 56.078 53.434 -3.901 167 H ASP 23 H ASP 23 54.716 52.766 -8.804 168 HA ASP 23 HA ASP 23 53.778 50.032 -9.629 169 HB2 ASP 23 2HB ASP 23 53.007 52.186 -10.711 170 HB3 ASP 23 1HB ASP 23 54.621 52.417 -11.380 171 H VAL 24 H VAL 24 55.422 48.805 -8.753 172 HA VAL 24 HA VAL 24 58.239 49.037 -9.737 173 HB VAL 24 HB VAL 24 57.683 48.575 -7.365 174 HG11 VAL 24 1HG1 VAL 24 55.858 46.834 -7.578 175 HG12 VAL 24 2HG1 VAL 24 57.056 45.653 -8.156 176 HG13 VAL 24 3HG1 VAL 24 57.173 46.318 -6.508 177 HG21 VAL 24 1HG2 VAL 24 59.540 46.427 -8.562 178 HG22 VAL 24 2HG2 VAL 24 59.559 47.061 -6.903 179 HG23 VAL 24 3HG2 VAL 24 59.984 48.126 -8.252 180 H GLY 25 H GLY 25 59.433 47.443 -10.792 181 HA2 GLY 25 1HA GLY 25 57.994 46.150 -13.106 182 HA3 GLY 25 2HA GLY 25 59.728 46.220 -12.893 183 H SER 26 H SER 26 57.192 44.160 -12.892 184 HA SER 26 HA SER 26 57.961 42.183 -10.882 185 HB2 SER 26 1HB SER 26 56.279 41.887 -13.462 186 HB3 SER 26 2HB SER 26 56.383 40.663 -12.194 187 HG SER 26 HG SER 26 54.587 42.080 -11.910 188 H ASN 27 H ASN 27 58.843 40.057 -11.147 189 HA ASN 27 HA ASN 27 61.302 39.944 -12.739 190 HB2 ASN 27 1HB ASN 27 60.869 38.855 -10.451 191 HB3 ASN 27 2HB ASN 27 59.937 37.617 -11.265 192 HD21 ASN 27 1HD2 ASN 27 63.181 38.872 -10.734 193 HD22 ASN 27 2HD2 ASN 27 63.986 37.372 -11.439 194 H LYS 28 H LYS 28 61.000 40.061 -14.870 195 HA LYS 28 HA LYS 28 59.048 38.366 -16.399 196 HB2 LYS 28 1HB LYS 28 61.224 40.298 -17.414 197 HB3 LYS 28 2HB LYS 28 60.035 39.534 -18.429 198 HG2 LYS 28 2HG LYS 28 59.380 41.584 -16.215 199 HG3 LYS 28 1HG LYS 28 59.623 41.958 -17.908 200 HD2 LYS 28 1HD LYS 28 57.627 40.505 -18.533 201 HD3 LYS 28 2HD LYS 28 57.358 40.161 -16.823 202 HE2 LYS 28 1HE LYS 28 57.030 42.655 -16.365 203 HE3 LYS 28 2HE LYS 28 57.329 43.017 -18.058 204 HZ1 LYS 28 2HZ LYS 28 54.896 42.814 -17.658 205 HZ2 LYS 28 3HZ LYS 28 55.060 41.280 -17.087 206 HZ3 LYS 28 1HZ LYS 28 55.361 41.607 -18.665 207 H GLY 29 H GLY 29 59.530 36.710 -17.798 208 HA2 GLY 29 1HA GLY 29 61.810 34.964 -17.198 209 HA3 GLY 29 2HA GLY 29 60.663 34.683 -18.484 210 H ALA 30 H ALA 30 61.053 36.106 -20.490 211 HA ALA 30 HA ALA 30 64.076 36.368 -21.068 212 HB1 ALA 30 1HB ALA 30 63.229 34.227 -21.995 213 HB2 ALA 30 2HB ALA 30 63.675 35.351 -23.297 214 HB3 ALA 30 3HB ALA 30 61.960 35.088 -22.910 215 H ILE 31 H ILE 31 63.489 38.548 -20.370 216 HA ILE 31 HA ILE 31 63.209 40.304 -22.804 217 HB ILE 31 HB ILE 31 61.493 40.952 -20.333 218 HG12 ILE 31 2HG1 ILE 31 60.330 40.418 -23.144 219 HG13 ILE 31 1HG1 ILE 31 60.494 39.137 -21.974 220 HG21 ILE 31 2HG2 ILE 31 62.460 43.008 -21.477 221 HG22 ILE 31 3HG2 ILE 31 61.738 42.497 -23.018 222 HG23 ILE 31 1HG2 ILE 31 60.703 42.951 -21.650 223 HD11 ILE 31 1HD1 ILE 31 58.741 41.598 -21.504 224 HD12 ILE 31 2HD1 ILE 31 58.219 39.942 -21.869 225 HD13 ILE 31 3HD1 ILE 31 59.027 40.286 -20.330 226 H ILE 32 H ILE 32 65.323 40.965 -22.629 227 HA ILE 32 HA ILE 32 66.238 42.238 -20.046 228 HB ILE 32 HB ILE 32 67.017 39.929 -19.877 229 HG12 ILE 32 1HG1 ILE 32 69.484 41.736 -20.173 230 HG13 ILE 32 2HG1 ILE 32 68.279 42.030 -18.936 231 HG21 ILE 32 3HG2 ILE 32 67.472 39.333 -22.280 232 HG22 ILE 32 1HG2 ILE 32 68.872 38.984 -21.254 233 HG23 ILE 32 2HG2 ILE 32 68.877 40.422 -22.303 234 HD11 ILE 32 1HD1 ILE 32 68.671 39.769 -17.911 235 HD12 ILE 32 2HD1 ILE 32 70.137 40.769 -17.966 236 HD13 ILE 32 3HD1 ILE 32 69.937 39.439 -19.125 237 H GLY 33 H GLY 33 67.600 43.876 -20.193 238 HA2 GLY 33 1HA GLY 33 69.047 44.719 -22.667 239 HA3 GLY 33 2HA GLY 33 67.591 45.679 -22.440 240 H LEU 34 H LEU 34 70.406 44.532 -20.583 241 HA LEU 34 HA LEU 34 70.721 47.310 -19.301 242 HB2 LEU 34 1HB LEU 34 69.607 45.578 -17.795 243 HB3 LEU 34 2HB LEU 34 71.038 44.586 -17.891 244 HG LEU 34 HG LEU 34 70.809 45.709 -15.773 245 HD11 LEU 34 2HD1 LEU 34 73.036 46.600 -15.386 246 HD12 LEU 34 3HD1 LEU 34 73.146 45.270 -16.554 247 HD13 LEU 34 1HD1 LEU 34 73.280 46.959 -17.103 248 HD21 LEU 34 1HD2 LEU 34 70.942 48.106 -15.353 249 HD22 LEU 34 2HD2 LEU 34 71.118 48.480 -17.080 250 HD23 LEU 34 3HD2 LEU 34 69.592 47.797 -16.458 251 H MET 35 H MET 35 72.656 48.115 -19.801 252 HA MET 35 HA MET 35 74.873 46.379 -20.931 253 HB2 MET 35 1HB MET 35 74.057 48.561 -22.014 254 HB3 MET 35 2HB MET 35 74.744 49.443 -20.657 255 HG2 MET 35 2HG MET 35 77.060 48.527 -21.296 256 HG3 MET 35 1HG MET 35 76.309 47.658 -22.655 257 HE1 MET 35 2HE MET 35 78.081 50.669 -24.465 258 HE2 MET 35 1HE MET 35 77.847 48.896 -24.435 259 HE3 MET 35 3HE MET 35 78.671 49.709 -23.073 260 H VAL 36 H VAL 36 76.357 45.572 -19.582 261 HA VAL 36 HA VAL 36 76.910 46.861 -16.845 262 HB VAL 36 HB VAL 36 77.592 44.027 -17.793 263 HG11 VAL 36 1HG2 VAL 36 79.266 44.869 -16.084 264 HG12 VAL 36 2HG2 VAL 36 78.268 43.565 -15.434 265 HG13 VAL 36 3HG2 VAL 36 77.940 45.249 -14.961 266 HG21 VAL 36 1HG1 VAL 36 75.896 43.227 -16.141 267 HG22 VAL 36 2HG1 VAL 36 75.487 44.901 -15.689 268 HG23 VAL 36 3HG1 VAL 36 75.118 44.292 -17.320 269 H GLY 37 H GLY 37 78.364 48.402 -17.256 270 HA2 GLY 37 1HA GLY 37 80.784 49.092 -17.528 271 HA3 GLY 37 2HA GLY 37 81.066 47.717 -18.565 272 H GLY 38 H GLY 38 79.638 50.895 -18.389 273 HA2 GLY 38 1HA GLY 38 80.436 51.769 -21.038 274 HA3 GLY 38 2HA GLY 38 78.810 51.127 -21.236 275 H VAL 39 H VAL 39 77.097 52.160 -20.189 276 HA VAL 39 HA VAL 39 77.556 54.740 -18.666 277 HB VAL 39 HB VAL 39 75.778 54.683 -21.178 278 HG11 VAL 39 1HG1 VAL 39 76.254 57.050 -19.232 279 HG12 VAL 39 2HG1 VAL 39 74.753 56.103 -19.345 280 HG13 VAL 39 3HG1 VAL 39 75.279 57.084 -20.720 281 HG21 VAL 39 1HG2 VAL 39 77.259 56.478 -22.109 282 HG22 VAL 39 2HG2 VAL 39 78.216 55.030 -21.784 283 HG23 VAL 39 3HG2 VAL 39 78.309 56.405 -20.669 284 H VAL 40 H VAL 40 76.633 54.036 -16.817 285 HA VAL 40 HA VAL 40 74.160 52.257 -16.892 286 HB VAL 40 HB VAL 40 76.166 51.364 -15.733 287 HG11 VAL 40 1HG2 VAL 40 76.855 52.083 -13.466 288 HG12 VAL 40 2HG2 VAL 40 75.683 53.425 -13.487 289 HG13 VAL 40 3HG2 VAL 40 77.072 53.446 -14.588 290 HG21 VAL 40 1HG1 VAL 40 73.876 50.520 -15.188 291 HG22 VAL 40 2HG1 VAL 40 73.742 51.710 -13.871 292 HG23 VAL 40 3HG1 VAL 40 74.968 50.418 -13.793 293 HCG9 23Y 101 HCG9 EVG 1 48.412 41.582 1.741 294 HCG3 23Y 101 HCG3 EVG 1 45.292 44.755 2.132 295 HCG7 23Y 101 HCG7 EVG 1 45.379 38.917 0.358 296 HCG4 23Y 101 HCG4 EVG 1 43.961 42.521 3.755 297 HCB1 23Y 101 HCB1 EVG 1 46.388 43.482 5.485 298 HCB2 23Y 101 HCB2 EVG 1 46.200 44.818 7.547 299 HOB3 23Y 101 HOB3 EVG 1 45.239 46.590 8.528 300 HCB4 23Y 101 HCB4 EVG 1 43.835 47.719 5.477 301 HCB5 23Y 101 HCB5 EVG 1 44.021 46.409 3.400 302 HCC1 23Y 101 HCC1 EVG 1 41.836 43.546 3.969 303 HOC2 23Y 101 HOC2 EVG 1 38.845 44.874 2.644 304 HCC3 23Y 101 HCC3 EVG 1 39.659 44.948 0.575 305 HOC4 23Y 101 HOC4 EVG 1 40.754 44.969 -1.359 306 HCC5 23Y 101 HCC5 EVG 1 43.710 43.677 0.096 307 HCD1 23Y 101 HCD1 EVG 1 42.426 40.913 1.807 308 HCD2 23Y 101 HCD2 EVG 1 43.270 38.482 0.210 309 HCE1 23Y 101 HCE1 EVG 1 37.952 39.804 1.355 310 HOE2 23Y 101 HOE2 EVG 1 36.564 38.230 0.629 311 HCE3 23Y 101 HCE3 EVG 1 39.200 36.255 -0.685 312 HCE4 23Y 101 HCE4 EVG 1 41.549 36.945 -0.474 313 HCE6 23Y 101 HCE6 EVG 1 40.269 40.534 1.547 314 HCF5 23Y 101 HCF5 EVG 1 51.778 40.553 0.359 315 HCF1 23Y 101 HCF1 EVG 1 49.622 39.228 1.450 316 HCF2 23Y 101 HCF2 EVG 1 48.942 37.374 -0.641 317 HOF2 23Y 101 HOF2 EVG 1 51.349 37.772 0.789 318 HCF3 23Y 101 HCF3 EVG 1 51.070 37.425 -2.052 319 HOF3 23Y 101 HOF3 EVG 1 50.067 38.960 -3.448 320 HCF4 23Y 101 HCF4 EVG 1 51.730 39.929 -2.571 321 HOF4 23Y 101 HOF4 EVG 1 52.796 38.647 -0.291 322 HF61 23Y 101 HF61 EVG 1 50.761 42.176 -2.047 323 HF62 23Y 101 HF62 EVG 1 50.977 42.789 -0.404 324 HCF6 23Y 101 HCF6 EVG 1 52.797 43.213 -1.738 325 HCG9 23Y 102 HCG9 EVG 2 58.174 50.796 -30.153 326 HCG3 23Y 102 HCG3 EVG 2 55.549 47.201 -30.746 327 HCG7 23Y 102 HCG7 EVG 2 59.537 49.100 -26.479 328 HCG4 23Y 102 HCG4 EVG 2 54.731 47.961 -27.895 329 HCB1 23Y 102 HCB1 EVG 2 53.600 50.232 -29.710 330 HCB2 23Y 102 HCB2 EVG 2 51.207 50.520 -30.198 331 HOB3 23Y 102 HOB3 EVG 2 49.347 49.557 -30.951 332 HCB4 23Y 102 HCB4 EVG 2 50.966 46.453 -31.520 333 HCB5 23Y 102 HCB5 EVG 2 53.362 46.144 -31.036 334 HCC1 23Y 102 HCC1 EVG 2 57.349 45.576 -29.361 335 HOC2 23Y 102 HOC2 EVG 2 58.141 43.507 -29.517 336 HCC3 23Y 102 HCC3 EVG 2 55.325 42.114 -27.889 337 HOC4 23Y 102 HOC4 EVG 2 53.353 42.470 -26.918 338 HCC5 23Y 102 HCC5 EVG 2 53.536 45.965 -27.405 339 HCD1 23Y 102 HCD1 EVG 2 56.586 46.661 -26.076 340 HCD2 23Y 102 HCD2 EVG 2 59.171 47.686 -24.883 341 HCE1 23Y 102 HCE1 EVG 2 55.990 43.711 -22.530 342 HOE2 23Y 102 HOE2 EVG 2 58.434 43.720 -19.952 343 HCE3 23Y 102 HCE3 EVG 2 59.592 45.309 -20.848 344 HCE4 23Y 102 HCE4 EVG 2 59.853 46.793 -22.768 345 HCE6 23Y 102 HCE6 EVG 2 56.224 45.186 -24.471 346 HCF5 23Y 102 HCF5 EVG 2 60.440 53.168 -31.497 347 HCF1 23Y 102 HCF1 EVG 2 59.764 52.669 -29.061 348 HCF2 23Y 102 HCF2 EVG 2 62.578 51.584 -28.437 349 HOF2 23Y 102 HOF2 EVG 2 62.560 53.487 -27.100 350 HCF3 23Y 102 HCF3 EVG 2 61.891 54.375 -29.544 351 HOF3 23Y 102 HOF3 EVG 2 64.357 53.000 -29.268 352 HCF4 23Y 102 HCF4 EVG 2 63.297 52.075 -31.051 353 HOF4 23Y 102 HOF4 EVG 2 62.350 54.656 -31.787 354 HF61 23Y 102 HF61 EVG 2 61.885 50.764 -32.766 355 HF62 23Y 102 HF62 EVG 2 61.607 52.317 -33.575 356 HCF6 23Y 102 HOF6 EVG 2 59.967 50.719 -33.991 Start of MODEL 10 1 H1 ASP 1 1H ASP 1 22.632 38.081 12.860 2 H2 ASP 1 2H ASP 1 22.593 38.969 11.490 3 H3 ASP 1 3H ASP 1 23.662 37.696 11.599 4 HA ASP 1 HA ASP 1 21.838 36.102 11.785 5 HB2 ASP 1 1HB ASP 1 20.078 38.632 11.560 6 HB3 ASP 1 2HB ASP 1 19.469 36.998 11.345 7 H ALA 2 H ALA 2 21.483 38.809 9.331 8 HA ALA 2 HA ALA 2 21.037 36.857 7.183 9 HB1 ALA 2 1HB ALA 2 21.000 38.864 5.716 10 HB2 ALA 2 2HB ALA 2 21.656 39.878 7.019 11 HB3 ALA 2 3HB ALA 2 20.040 39.133 7.180 12 H GLU 3 H GLU 3 24.011 38.797 7.862 13 HA GLU 3 HA GLU 3 25.476 37.398 5.624 14 HB2 GLU 3 1HB GLU 3 26.288 39.605 7.604 15 HB3 GLU 3 2HB GLU 3 27.494 38.768 6.650 16 HG2 GLU 3 2HG GLU 3 26.453 39.454 4.500 17 HG3 GLU 3 1HG GLU 3 25.127 40.254 5.347 18 H PHE 4 H PHE 4 27.054 35.972 5.807 19 HA PHE 4 HA PHE 4 27.110 34.187 8.211 20 HB2 PHE 4 1HB PHE 4 28.592 33.955 5.513 21 HB3 PHE 4 2HB PHE 4 28.625 32.747 6.760 22 HD1 PHE 4 HD2 PHE 4 26.610 31.322 7.255 23 HD2 PHE 4 HD1 PHE 4 26.508 34.282 4.135 24 HE1 PHE 4 HE2 PHE 4 24.573 30.290 6.326 25 HE2 PHE 4 HE1 PHE 4 24.469 33.249 3.230 26 HZ PHE 4 HZ PHE 4 23.501 31.251 4.316 27 H ARG 5 H ARG 5 28.644 34.131 9.737 28 HA ARG 5 HA ARG 5 31.070 35.976 9.588 29 HB2 ARG 5 1HB ARG 5 29.849 34.415 11.929 30 HB3 ARG 5 2HB ARG 5 31.363 35.265 12.055 31 HG2 ARG 5 1HG ARG 5 28.747 36.712 11.263 32 HG3 ARG 5 2HG ARG 5 29.223 36.434 12.929 33 HD2 ARG 5 2HD ARG 5 31.349 37.738 12.604 34 HD3 ARG 5 1HD ARG 5 30.970 38.041 10.926 35 HE ARG 5 HE ARG 5 29.471 39.139 13.379 36 HH11 ARG 5 2HH2 ARG 5 29.814 39.277 9.901 37 HH12 ARG 5 1HH2 ARG 5 28.811 40.797 9.803 38 HH21 ARG 5 1HH1 ARG 5 28.331 40.853 13.211 39 HH22 ARG 5 2HH1 ARG 5 28.020 41.623 11.591 40 H HIS 6 H HIS 6 32.927 35.174 8.932 41 HA HIS 6 HA HIS 6 33.472 32.194 8.805 42 HB2 HIS 6 1HB HIS 6 34.987 34.656 7.711 43 HB3 HIS 6 2HB HIS 6 35.629 33.039 7.613 44 HD2 HIS 6 HD2 HIS 6 34.432 31.235 5.945 45 HE1 HIS 6 HE1 HIS 6 32.095 34.016 3.891 46 HE2 HIS 6 HE2 HIS 6 32.920 31.573 3.770 47 H ASP 7 H ASP 7 34.557 31.180 10.374 48 HA ASP 7 HA ASP 7 35.903 32.622 12.583 49 HB2 ASP 7 1HB ASP 7 35.584 29.613 12.003 50 HB3 ASP 7 2HB ASP 7 36.400 30.243 13.422 51 H SER 8 H SER 8 37.286 30.426 10.094 52 HA SER 8 HA SER 8 40.100 31.190 10.965 53 HB2 SER 8 1HB SER 8 39.587 28.786 10.453 54 HB3 SER 8 2HB SER 8 39.201 29.215 8.783 55 HG SER 8 HG SER 8 41.710 29.650 10.093 56 H GLY 9 H GLY 9 41.123 32.850 10.068 57 HA2 GLY 9 1HA GLY 9 41.324 33.435 7.216 58 HA3 GLY 9 2HA GLY 9 40.064 34.480 7.886 59 H TYR 10 H TYR 10 41.546 36.042 7.019 60 HA TYR 10 HA TYR 10 44.003 36.722 8.710 61 HB2 TYR 10 2HB TYR 10 42.991 37.935 6.066 62 HB3 TYR 10 1HB TYR 10 44.311 38.580 6.997 63 HD1 TYR 10 HD2 TYR 10 46.515 37.432 7.139 64 HD2 TYR 10 HD1 TYR 10 43.293 35.721 4.862 65 HE1 TYR 10 HE2 TYR 10 48.097 35.916 6.027 66 HE2 TYR 10 HE1 TYR 10 44.893 34.210 3.751 67 HH TYR 10 HH TYR 10 48.350 34.276 4.538 68 H GLU 11 H GLU 11 43.580 37.856 10.454 69 HA GLU 11 HA GLU 11 41.530 40.157 10.413 70 HB2 GLU 11 1HB GLU 11 40.762 38.043 11.649 71 HB3 GLU 11 2HB GLU 11 42.104 38.253 12.757 72 HG2 GLU 11 1HG GLU 11 40.210 39.187 13.880 73 HG3 GLU 11 2HG GLU 11 41.086 40.612 13.345 74 H VAL 12 H VAL 12 43.146 41.589 9.889 75 HA VAL 12 HA VAL 12 45.109 42.299 12.123 76 HB VAL 12 HB VAL 12 46.340 41.005 10.448 77 HG11 VAL 12 1HG1 VAL 12 45.241 41.710 8.279 78 HG12 VAL 12 2HG1 VAL 12 46.007 43.306 8.420 79 HG13 VAL 12 3HG1 VAL 12 47.010 41.848 8.238 80 HG21 VAL 12 1HG2 VAL 12 47.517 42.675 11.890 81 HG22 VAL 12 2HG2 VAL 12 48.321 42.456 10.330 82 HG23 VAL 12 3HG2 VAL 12 47.337 43.916 10.627 83 H HIS 13 H HIS 13 43.797 43.878 12.876 84 HA HIS 13 HA HIS 13 42.544 45.886 11.109 85 HB2 HIS 13 2HB HIS 13 41.498 46.824 13.033 86 HB3 HIS 13 1HB HIS 13 41.378 45.092 13.085 87 HD2 HIS 13 HD2 HIS 13 42.992 48.077 14.966 88 HE1 HIS 13 HE1 HIS 13 43.526 44.731 17.397 89 HE2 HIS 13 HE2 HIS 13 43.826 47.292 17.379 90 H HIS 14 H HIS 14 45.208 46.294 13.462 91 HA HIS 14 HA HIS 14 45.742 49.088 12.397 92 HB2 HIS 14 2HB HIS 14 45.723 48.508 14.913 93 HB3 HIS 14 1HB HIS 14 47.192 47.588 14.668 94 HD2 HIS 14 HD2 HIS 14 45.819 51.229 14.714 95 HE1 HIS 14 HE1 HIS 14 49.979 51.534 14.705 96 HE2 HIS 14 HE2 HIS 14 47.841 52.952 14.966 97 H GLN 15 H GLN 15 47.173 49.415 10.830 98 HA GLN 15 HA GLN 15 48.978 47.211 9.786 99 HB2 GLN 15 1HB GLN 15 48.390 50.054 8.753 100 HB3 GLN 15 2HB GLN 15 49.600 49.010 8.039 101 HG2 GLN 15 1HG GLN 15 47.910 47.294 7.414 102 HG3 GLN 15 2HG GLN 15 46.625 48.190 8.205 103 HE21 GLN 15 1HE2 GLN 15 45.713 49.932 7.052 104 HE22 GLN 15 2HE2 GLN 15 46.276 50.349 5.347 105 H LYS 16 H LYS 16 51.007 47.009 10.497 106 HA LYS 16 HA LYS 16 52.460 49.295 11.908 107 HB2 LYS 16 2HB LYS 16 52.308 46.968 12.884 108 HB3 LYS 16 1HB LYS 16 53.300 46.367 11.559 109 HG2 LYS 16 2HG LYS 16 55.174 47.950 12.323 110 HG3 LYS 16 1HG LYS 16 54.141 48.504 13.643 111 HD2 LYS 16 1HD LYS 16 53.994 46.157 14.551 112 HD3 LYS 16 2HD LYS 16 54.997 45.541 13.260 113 HE2 LYS 16 1HE LYS 16 55.950 47.701 15.293 114 HE3 LYS 16 2HE LYS 16 56.101 45.977 15.591 115 HZ1 LYS 16 2HZ LYS 16 57.479 45.770 13.525 116 HZ2 LYS 16 3HZ LYS 16 58.176 46.848 14.550 117 HZ3 LYS 16 1HZ LYS 16 57.354 47.373 13.225 118 H LEU 17 H LEU 17 52.166 50.303 9.769 119 HA LEU 17 HA LEU 17 54.656 50.909 8.472 120 HB2 LEU 17 1HB LEU 17 54.358 50.175 6.127 121 HB3 LEU 17 2HB LEU 17 54.692 48.899 7.252 122 HG LEU 17 HG LEU 17 52.144 48.307 7.178 123 HD11 LEU 17 2HD1 LEU 17 52.275 49.991 4.568 124 HD12 LEU 17 3HD1 LEU 17 51.271 50.378 5.983 125 HD13 LEU 17 1HD1 LEU 17 50.945 48.915 5.055 126 HD21 LEU 17 1HD2 LEU 17 52.486 46.926 5.117 127 HD22 LEU 17 2HD2 LEU 17 53.865 47.936 4.627 128 HD23 LEU 17 3HD2 LEU 17 53.963 46.936 6.094 129 H VAL 18 H VAL 18 54.418 52.805 7.168 130 HA VAL 18 HA VAL 18 52.091 54.435 7.838 131 HB VAL 18 HB VAL 18 52.922 56.174 6.261 132 HG11 VAL 18 1HG2 VAL 18 53.501 56.189 8.696 133 HG12 VAL 18 2HG2 VAL 18 54.987 55.270 8.356 134 HG13 VAL 18 3HG2 VAL 18 54.771 56.908 7.694 135 HG21 VAL 18 1HG1 VAL 18 55.458 54.450 5.892 136 HG22 VAL 18 2HG1 VAL 18 55.189 56.113 5.316 137 HG23 VAL 18 3HG1 VAL 18 54.259 54.772 4.624 138 H PHE 19 H PHE 19 50.252 53.606 7.218 139 HA PHE 19 HA PHE 19 49.536 52.540 4.705 140 HB2 PHE 19 1HB PHE 19 47.266 52.451 5.496 141 HB3 PHE 19 2HB PHE 19 48.363 52.008 6.760 142 HD1 PHE 19 HD1 PHE 19 48.692 53.575 8.765 143 HD2 PHE 19 HD2 PHE 19 45.762 54.406 5.726 144 HE1 PHE 19 HE1 PHE 19 47.579 55.178 10.264 145 HE2 PHE 19 HE2 PHE 19 44.648 55.990 7.247 146 HZ PHE 19 HZ PHE 19 45.555 56.383 9.512 147 H PHE 20 H PHE 20 48.721 53.213 2.836 148 HA PHE 20 HA PHE 20 47.603 56.034 2.500 149 HB2 PHE 20 2HB PHE 20 49.784 54.859 0.655 150 HB3 PHE 20 1HB PHE 20 48.823 56.261 0.282 151 HD1 PHE 20 HD1 PHE 20 49.141 58.437 1.477 152 HD2 PHE 20 HD2 PHE 20 51.613 55.032 2.350 153 HE1 PHE 20 HE1 PHE 20 50.767 59.899 2.617 154 HE2 PHE 20 HE2 PHE 20 53.230 56.503 3.476 155 HZ PHE 20 HZ PHE 20 52.812 58.933 3.623 156 H ALA 21 H ALA 21 45.632 55.742 1.699 157 HA ALA 21 HA ALA 21 44.872 53.263 0.116 158 HB1 ALA 21 1HB ALA 21 42.562 54.115 0.400 159 HB2 ALA 21 2HB ALA 21 43.405 54.036 1.960 160 HB3 ALA 21 3HB ALA 21 43.164 55.610 1.150 161 H GLU 22 H GLU 22 46.360 53.797 -1.588 162 HA GLU 22 HA GLU 22 44.978 55.267 -3.822 163 HB2 GLU 22 1HB GLU 22 46.893 56.567 -4.560 164 HB3 GLU 22 2HB GLU 22 46.342 57.064 -2.977 165 HG2 GLU 22 1HG GLU 22 48.343 55.889 -1.917 166 HG3 GLU 22 2HG GLU 22 48.894 55.395 -3.512 167 H ASP 23 H ASP 23 45.340 54.441 -5.819 168 HA ASP 23 HA ASP 23 46.565 51.685 -5.957 169 HB2 ASP 23 2HB ASP 23 44.278 52.220 -6.895 170 HB3 ASP 23 1HB ASP 23 45.027 53.229 -8.125 171 H VAL 24 H VAL 24 48.699 52.113 -5.743 172 HA VAL 24 HA VAL 24 50.147 53.172 -8.215 173 HB VAL 24 HB VAL 24 50.078 54.992 -6.574 174 HG11 VAL 24 1HG1 VAL 24 51.987 53.420 -4.727 175 HG12 VAL 24 2HG1 VAL 24 51.409 55.095 -4.531 176 HG13 VAL 24 3HG1 VAL 24 50.273 53.740 -4.380 177 HG21 VAL 24 1HG2 VAL 24 52.429 55.684 -6.792 178 HG22 VAL 24 2HG2 VAL 24 51.918 54.861 -8.274 179 HG23 VAL 24 3HG2 VAL 24 52.954 54.011 -7.099 180 H GLY 25 H GLY 25 50.499 51.181 -8.934 181 HA2 GLY 25 1HA GLY 25 52.054 49.131 -7.214 182 HA3 GLY 25 2HA GLY 25 51.035 48.742 -8.577 183 H SER 26 H SER 26 54.078 50.187 -7.655 184 HA SER 26 HA SER 26 55.264 49.561 -10.441 185 HB2 SER 26 1HB SER 26 55.778 52.094 -8.753 186 HB3 SER 26 2HB SER 26 56.608 51.679 -10.251 187 HG SER 26 HG SER 26 53.784 51.919 -10.027 188 H ASN 27 H ASN 27 55.409 48.056 -7.894 189 HA ASN 27 HA ASN 27 58.232 47.195 -8.219 190 HB2 ASN 27 1HB ASN 27 58.464 49.044 -6.459 191 HB3 ASN 27 2HB ASN 27 57.422 48.145 -5.378 192 HD21 ASN 27 2HD2 ASN 27 58.336 46.192 -4.427 193 HD22 ASN 27 1HD2 ASN 27 60.162 45.934 -4.512 194 H LYS 28 H LYS 28 57.248 45.326 -8.942 195 HA LYS 28 HA LYS 28 56.083 43.477 -6.917 196 HB2 LYS 28 2HB LYS 28 53.983 42.929 -8.058 197 HB3 LYS 28 1HB LYS 28 54.025 44.559 -7.435 198 HG2 LYS 28 2HG LYS 28 54.476 45.401 -9.846 199 HG3 LYS 28 1HG LYS 28 54.258 43.744 -10.409 200 HD2 LYS 28 1HD LYS 28 51.912 43.725 -9.386 201 HD3 LYS 28 2HD LYS 28 52.150 45.381 -8.825 202 HE2 LYS 28 2HE LYS 28 52.431 46.166 -11.247 203 HE3 LYS 28 1HE LYS 28 52.183 44.508 -11.802 204 HZ1 LYS 28 2HZ LYS 28 50.041 45.768 -11.831 205 HZ2 LYS 28 3HZ LYS 28 49.920 44.552 -10.731 206 HZ3 LYS 28 1HZ LYS 28 50.146 46.095 -10.226 207 H GLY 29 H GLY 29 56.392 41.380 -7.361 208 HA2 GLY 29 1HA GLY 29 58.357 40.651 -9.521 209 HA3 GLY 29 2HA GLY 29 57.724 39.573 -8.300 210 H ALA 30 H ALA 30 56.908 41.153 -11.310 211 HA ALA 30 HA ALA 30 54.536 39.562 -11.910 212 HB1 ALA 30 1HB ALA 30 54.938 41.845 -12.833 213 HB2 ALA 30 2HB ALA 30 56.323 41.246 -13.786 214 HB3 ALA 30 3HB ALA 30 54.677 40.688 -14.154 215 H ILE 31 H ILE 31 54.216 37.686 -12.940 216 HA ILE 31 HA ILE 31 56.591 36.078 -13.937 217 HB ILE 31 HB ILE 31 55.092 34.172 -14.211 218 HG12 ILE 31 1HG1 ILE 31 52.929 35.405 -12.428 219 HG13 ILE 31 2HG1 ILE 31 52.840 35.696 -14.146 220 HG21 ILE 31 2HG2 ILE 31 55.034 33.554 -11.800 221 HG22 ILE 31 3HG2 ILE 31 56.527 34.426 -12.190 222 HG23 ILE 31 1HG2 ILE 31 55.216 35.261 -11.331 223 HD11 ILE 31 1HD1 ILE 31 52.843 33.220 -14.642 224 HD12 ILE 31 2HD1 ILE 31 52.886 32.873 -12.893 225 HD13 ILE 31 3HD1 ILE 31 51.486 33.710 -13.606 226 H ILE 32 H ILE 32 57.202 36.320 -15.957 227 HA ILE 32 HA ILE 32 55.321 37.392 -18.041 228 HB ILE 32 HB ILE 32 57.556 38.388 -17.805 229 HG12 ILE 32 2HG1 ILE 32 58.222 38.430 -20.269 230 HG13 ILE 32 1HG1 ILE 32 57.027 37.201 -20.592 231 HG21 ILE 32 3HG2 ILE 32 58.976 36.338 -17.367 232 HG22 ILE 32 1HG2 ILE 32 58.773 35.843 -19.062 233 HG23 ILE 32 2HG2 ILE 32 59.622 37.356 -18.662 234 HD11 ILE 32 1HD1 ILE 32 56.210 39.529 -21.124 235 HD12 ILE 32 2HD1 ILE 32 55.190 38.844 -19.847 236 HD13 ILE 32 3HD1 ILE 32 56.454 40.038 -19.447 237 H GLY 33 H GLY 33 54.639 36.399 -19.835 238 HA2 GLY 33 1HA GLY 33 55.414 33.688 -20.782 239 HA3 GLY 33 2HA GLY 33 53.973 33.575 -19.780 240 H LEU 34 H LEU 34 55.293 35.107 -22.678 241 HA LEU 34 HA LEU 34 52.693 36.148 -23.665 242 HB2 LEU 34 2HB LEU 34 55.320 35.675 -25.211 243 HB3 LEU 34 1HB LEU 34 53.909 36.439 -25.878 244 HG LEU 34 HG LEU 34 55.523 38.076 -25.487 245 HD11 LEU 34 1HD2 LEU 34 53.377 38.581 -23.335 246 HD12 LEU 34 2HD2 LEU 34 53.156 38.817 -25.089 247 HD13 LEU 34 3HD2 LEU 34 54.345 39.789 -24.209 248 HD21 LEU 34 2HD1 LEU 34 55.628 37.496 -22.478 249 HD22 LEU 34 3HD1 LEU 34 56.870 37.005 -23.661 250 HD23 LEU 34 1HD1 LEU 34 56.546 38.724 -23.378 251 H MET 35 H MET 35 51.261 35.251 -25.075 252 HA MET 35 HA MET 35 51.540 32.298 -25.822 253 HB2 MET 35 2HB MET 35 49.087 34.158 -25.807 254 HB3 MET 35 1HB MET 35 49.091 32.583 -26.571 255 HG2 MET 35 2HG MET 35 48.095 32.342 -24.374 256 HG3 MET 35 1HG MET 35 49.616 31.437 -24.398 257 HE1 MET 35 2HE MET 35 49.709 31.334 -21.756 258 HE2 MET 35 1HE MET 35 48.110 32.133 -21.771 259 HE3 MET 35 3HE MET 35 49.417 32.757 -20.713 260 H VAL 36 H VAL 36 52.368 31.906 -27.738 261 HA VAL 36 HA VAL 36 51.536 33.497 -30.201 262 HB VAL 36 HB VAL 36 54.482 32.870 -29.581 263 HG11 VAL 36 1HG1 VAL 36 53.971 32.589 -32.050 264 HG12 VAL 36 2HG1 VAL 36 55.033 33.971 -31.752 265 HG13 VAL 36 3HG1 VAL 36 53.310 34.241 -32.106 266 HG21 VAL 36 1HG2 VAL 36 53.151 35.649 -29.936 267 HG22 VAL 36 2HG2 VAL 36 53.717 34.973 -28.396 268 HG23 VAL 36 3HG2 VAL 36 54.887 35.339 -29.670 269 H GLY 37 H GLY 37 50.347 31.888 -31.024 270 HA2 GLY 37 1HA GLY 37 51.157 28.958 -30.798 271 HA3 GLY 37 2HA GLY 37 49.625 29.542 -31.397 272 H GLY 38 H GLY 38 49.507 30.285 -33.588 273 HA2 GLY 38 1HA GLY 38 51.699 30.448 -35.469 274 HA3 GLY 38 2HA GLY 38 51.147 28.770 -35.522 275 H VAL 39 H VAL 39 51.058 29.907 -37.761 276 HA VAL 39 HA VAL 39 48.227 30.912 -38.337 277 HB VAL 39 HB VAL 39 48.914 31.365 -40.643 278 HG11 VAL 39 1HG1 VAL 39 50.538 32.995 -38.592 279 HG12 VAL 39 2HG1 VAL 39 50.000 33.536 -40.201 280 HG13 VAL 39 3HG1 VAL 39 48.805 33.202 -38.934 281 HG21 VAL 39 1HG2 VAL 39 51.006 29.976 -40.912 282 HG22 VAL 39 2HG2 VAL 39 51.872 31.066 -39.803 283 HG23 VAL 39 3HG2 VAL 39 51.251 31.670 -41.357 284 H VAL 40 H VAL 40 46.810 29.348 -38.650 285 HA VAL 40 HA VAL 40 47.680 26.663 -39.808 286 HB VAL 40 HB VAL 40 46.673 26.629 -37.536 287 HG11 VAL 40 1HG1 VAL 40 44.847 28.379 -37.749 288 HG12 VAL 40 2HG1 VAL 40 43.953 27.295 -38.830 289 HG13 VAL 40 3HG1 VAL 40 44.240 26.825 -37.135 290 HG21 VAL 40 1HG2 VAL 40 45.053 25.053 -39.623 291 HG22 VAL 40 2HG2 VAL 40 45.265 24.633 -37.903 292 HG23 VAL 40 3HG2 VAL 40 46.658 24.602 -39.003 293 HCG9 23Y 101 HCG9 EVG 1 51.301 42.310 -0.135 294 HCG3 23Y 101 HCG3 EVG 1 48.139 43.578 2.781 295 HCG7 23Y 101 HCG7 EVG 1 48.747 39.140 -1.440 296 HCG4 23Y 101 HCG4 EVG 1 48.327 40.599 3.467 297 HCB1 23Y 101 HCB1 EVG 1 47.390 44.037 5.057 298 HCB2 23Y 101 HCB2 EVG 1 48.020 44.382 7.404 299 HOB3 23Y 101 HOB3 EVG 1 49.511 43.962 8.993 300 HCB4 23Y 101 HCB4 EVG 1 51.635 42.172 6.784 301 HCB5 23Y 101 HCB5 EVG 1 51.027 41.828 4.418 302 HCC1 23Y 101 HCC1 EVG 1 46.093 42.646 1.108 303 HOC2 23Y 101 HOC2 EVG 1 42.589 42.956 1.499 304 HCC3 23Y 101 HCC3 EVG 1 42.595 41.883 3.449 305 HOC4 23Y 101 HOC4 EVG 1 44.512 40.257 5.934 306 HCC5 23Y 101 HCC5 EVG 1 46.395 40.519 4.836 307 HCD1 23Y 101 HCD1 EVG 1 46.505 39.190 1.696 308 HCD2 23Y 101 HCD2 EVG 1 47.010 37.880 -0.981 309 HCE1 23Y 101 HCE1 EVG 1 42.850 36.450 2.503 310 HOE2 23Y 101 HOE2 EVG 1 41.668 34.748 1.675 311 HCE3 23Y 101 HCE3 EVG 1 43.683 34.536 -1.232 312 HCE4 23Y 101 HCE4 EVG 1 45.580 36.049 -1.601 313 HCE6 23Y 101 HCE6 EVG 1 44.735 37.963 2.177 314 HCF5 23Y 101 HCF5 EVG 1 49.846 37.570 -4.438 315 HCF1 23Y 101 HCF1 EVG 1 49.833 40.037 -3.687 316 HCF2 23Y 101 HCF2 EVG 1 52.918 40.068 -3.595 317 HOF2 23Y 101 HOF2 EVG 1 51.868 42.055 -3.923 318 HCF3 23Y 101 HCF3 EVG 1 51.175 39.332 -6.013 319 HOF3 23Y 101 HOF3 EVG 1 53.261 38.724 -6.781 320 HCF4 23Y 101 HCF4 EVG 1 52.923 37.411 -4.359 321 HOF4 23Y 101 HOF4 EVG 1 52.637 36.783 -6.482 322 HF61 23Y 101 HF61 EVG 1 50.706 35.250 -4.039 323 HF62 23Y 101 HF62 EVG 1 49.830 35.914 -2.658 324 HCF6 23Y 101 HCF6 EVG 1 52.667 35.949 -2.922 325 HCG9 23Y 102 HCG9 EVG 2 43.137 34.844 -14.797 326 HCG3 23Y 102 HCG3 EVG 2 45.128 37.858 -17.452 327 HCG7 23Y 102 HCG7 EVG 2 45.783 35.990 -11.649 328 HCG4 23Y 102 HCG4 EVG 2 47.600 36.354 -16.443 329 HCB1 23Y 102 HCB1 EVG 2 46.115 34.348 -18.311 330 HCB2 23Y 102 HCB2 EVG 2 46.907 33.689 -20.534 331 HOB3 23Y 102 HOB3 EVG 2 47.636 34.392 -22.526 332 HCB4 23Y 102 HCB4 EVG 2 47.205 37.806 -21.679 333 HCB5 23Y 102 HCB5 EVG 2 46.391 38.488 -19.455 334 HCC1 23Y 102 HCC1 EVG 2 45.741 39.509 -15.281 335 HOC2 23Y 102 HOC2 EVG 2 47.163 42.749 -15.311 336 HCC3 23Y 102 HCC3 EVG 2 49.031 42.047 -16.298 337 HOC4 23Y 102 HOC4 EVG 2 50.813 39.338 -17.716 338 HCC5 23Y 102 HCC5 EVG 2 49.211 37.889 -17.244 339 HCD1 23Y 102 HCD1 EVG 2 48.403 37.632 -13.937 340 HCD2 23Y 102 HCD2 EVG 2 47.636 36.942 -11.091 341 HCE1 23Y 102 HCE1 EVG 2 52.287 39.725 -12.502 342 HOE2 23Y 102 HOE2 EVG 2 53.084 39.712 -9.047 343 HCE3 23Y 102 HCE3 EVG 2 51.200 38.609 -8.508 344 HCE4 23Y 102 HCE4 EVG 2 49.171 37.538 -9.346 345 HCE6 23Y 102 HCE6 EVG 2 50.274 38.652 -13.368 346 HCF5 23Y 102 HCF5 EVG 2 39.791 33.819 -13.254 347 HCF1 23Y 102 HCF1 EVG 2 42.468 33.290 -12.824 348 HCF2 23Y 102 HCF2 EVG 2 42.725 33.918 -10.046 349 HOF2 23Y 102 HOF2 EVG 2 40.986 32.156 -11.405 350 HCF3 23Y 102 HCF3 EVG 2 40.271 34.035 -9.305 351 HOF3 23Y 102 HOF3 EVG 2 41.814 35.742 -9.262 352 HCF4 23Y 102 HCF4 EVG 2 38.929 35.573 -10.964 353 HOF4 23Y 102 HOF4 EVG 2 39.064 32.769 -11.330 354 HF61 23Y 102 HF61 EVG 2 39.392 36.864 -13.045 355 HF62 23Y 102 HF62 EVG 2 38.109 35.714 -13.445 356 HCF6 23Y 102 HOF6 EVG 2 39.489 35.040 -15.241 Start of MODEL 11 1 H1 ASP 1 1H ASP 1 28.860 36.642 -14.473 2 H2 ASP 1 2H ASP 1 28.286 38.102 -13.930 3 H3 ASP 1 3H ASP 1 27.235 36.883 -14.401 4 HA ASP 1 HA ASP 1 27.276 37.016 -11.983 5 HB2 ASP 1 1HB ASP 1 28.446 34.473 -13.313 6 HB3 ASP 1 2HB ASP 1 27.898 34.533 -11.645 7 H ALA 2 H ALA 2 28.468 37.632 -10.282 8 HA ALA 2 HA ALA 2 31.475 37.878 -10.499 9 HB1 ALA 2 1HB ALA 2 30.144 39.831 -9.695 10 HB2 ALA 2 2HB ALA 2 29.495 38.865 -8.339 11 HB3 ALA 2 3HB ALA 2 31.228 39.243 -8.418 12 H GLU 3 H GLU 3 32.856 36.573 -9.509 13 HA GLU 3 HA GLU 3 31.897 34.302 -7.733 14 HB2 GLU 3 1HB GLU 3 33.348 33.948 -9.814 15 HB3 GLU 3 2HB GLU 3 34.662 34.779 -8.990 16 HG2 GLU 3 1HG GLU 3 34.573 32.952 -7.154 17 HG3 GLU 3 2HG GLU 3 33.292 32.147 -8.071 18 H PHE 4 H PHE 4 31.874 34.735 -5.632 19 HA PHE 4 HA PHE 4 33.640 36.875 -4.382 20 HB2 PHE 4 2HB PHE 4 31.279 35.283 -3.213 21 HB3 PHE 4 1HB PHE 4 32.257 36.372 -2.278 22 HD1 PHE 4 HD2 PHE 4 32.151 38.849 -2.599 23 HD2 PHE 4 HD1 PHE 4 29.705 36.219 -4.969 24 HE1 PHE 4 HE2 PHE 4 30.740 40.752 -3.273 25 HE2 PHE 4 HE1 PHE 4 28.306 38.129 -5.631 26 HZ PHE 4 HZ PHE 4 28.817 40.398 -4.786 27 H ARG 5 H ARG 5 35.503 36.355 -3.502 28 HA ARG 5 HA ARG 5 36.213 33.472 -2.853 29 HB2 ARG 5 2HB ARG 5 37.692 34.983 -4.303 30 HB3 ARG 5 1HB ARG 5 38.052 35.936 -2.868 31 HG2 ARG 5 1HG ARG 5 38.989 33.763 -1.770 32 HG3 ARG 5 2HG ARG 5 38.628 32.920 -3.266 33 HD2 ARG 5 1HD ARG 5 40.932 33.388 -3.533 34 HD3 ARG 5 2HD ARG 5 40.176 34.613 -4.503 35 HE ARG 5 HE ARG 5 40.742 36.358 -2.871 36 HH11 ARG 5 2HH1 ARG 5 41.841 33.244 -1.736 37 HH12 ARG 5 1HH1 ARG 5 42.972 34.021 -0.527 38 HH21 ARG 5 2HH2 ARG 5 41.989 37.172 -1.448 39 HH22 ARG 5 1HH2 ARG 5 43.030 36.132 -0.379 40 H HIS 6 H HIS 6 35.866 32.794 -0.853 41 HA HIS 6 HA HIS 6 35.538 34.690 1.496 42 HB2 HIS 6 1HB HIS 6 35.068 31.652 1.197 43 HB3 HIS 6 2HB HIS 6 34.934 32.493 2.719 44 HD2 HIS 6 HD2 HIS 6 33.034 32.069 -0.621 45 HE1 HIS 6 HE1 HIS 6 30.574 34.315 1.892 46 HE2 HIS 6 HE2 HIS 6 30.571 33.064 -0.366 47 H ASP 7 H ASP 7 37.156 35.118 2.894 48 HA ASP 7 HA ASP 7 39.754 33.654 2.708 49 HB2 ASP 7 1HB ASP 7 40.702 35.375 4.112 50 HB3 ASP 7 2HB ASP 7 39.846 36.063 2.751 51 H SER 8 H SER 8 40.543 32.213 4.063 52 HA SER 8 HA SER 8 38.874 30.892 6.065 53 HB2 SER 8 2HB SER 8 41.875 30.520 5.456 54 HB3 SER 8 1HB SER 8 40.897 29.434 6.447 55 HG SER 8 HG SER 8 40.995 28.732 4.281 56 H GLY 9 H GLY 9 41.324 33.328 6.590 57 HA2 GLY 9 1HA GLY 9 40.577 33.789 9.367 58 HA3 GLY 9 2HA GLY 9 42.027 32.791 9.421 59 H TYR 10 H TYR 10 40.721 35.860 8.314 60 HA TYR 10 HA TYR 10 43.545 37.080 8.387 61 HB2 TYR 10 1HB TYR 10 42.556 36.780 6.042 62 HB3 TYR 10 2HB TYR 10 41.256 37.851 6.474 63 HD1 TYR 10 HD1 TYR 10 44.900 37.624 5.725 64 HD2 TYR 10 HD2 TYR 10 41.703 40.312 6.758 65 HE1 TYR 10 HE1 TYR 10 46.293 39.550 5.072 66 HE2 TYR 10 HE2 TYR 10 43.102 42.222 6.089 67 HH TYR 10 HH TYR 10 45.068 42.872 5.275 68 H GLU 11 H GLU 11 43.561 38.063 10.283 69 HA GLU 11 HA GLU 11 41.440 40.168 10.951 70 HB2 GLU 11 1HB GLU 11 42.456 38.022 12.912 71 HB3 GLU 11 2HB GLU 11 41.732 39.532 13.430 72 HG2 GLU 11 1HG GLU 11 39.563 38.967 12.274 73 HG3 GLU 11 2HG GLU 11 40.248 37.448 11.704 74 H VAL 12 H VAL 12 42.845 41.691 10.212 75 HA VAL 12 HA VAL 12 45.056 42.462 12.125 76 HB VAL 12 HB VAL 12 46.630 43.212 10.360 77 HG11 VAL 12 1HG2 VAL 12 46.304 40.151 10.448 78 HG12 VAL 12 2HG2 VAL 12 47.074 41.135 11.708 79 HG13 VAL 12 3HG2 VAL 12 47.796 41.051 10.088 80 HG21 VAL 12 1HG1 VAL 12 46.720 42.177 8.110 81 HG22 VAL 12 2HG1 VAL 12 45.188 41.322 8.399 82 HG23 VAL 12 3HG1 VAL 12 45.216 43.095 8.267 83 H HIS 13 H HIS 13 44.023 44.149 12.914 84 HA HIS 13 HA HIS 13 42.473 46.047 11.156 85 HB2 HIS 13 1HB HIS 13 41.622 45.163 13.381 86 HB3 HIS 13 2HB HIS 13 42.848 46.099 14.211 87 HD2 HIS 13 HD2 HIS 13 39.558 46.502 12.157 88 HE1 HIS 13 HE1 HIS 13 40.315 50.196 13.945 89 HE2 HIS 13 HE2 HIS 13 38.523 48.925 12.591 90 H HIS 14 H HIS 14 45.194 46.576 13.467 91 HA HIS 14 HA HIS 14 45.827 49.221 12.084 92 HB2 HIS 14 2HB HIS 14 47.017 47.967 14.638 93 HB3 HIS 14 1HB HIS 14 47.609 49.438 13.905 94 HD2 HIS 14 HD2 HIS 14 44.636 48.144 15.988 95 HE1 HIS 14 HE1 HIS 14 44.150 52.272 15.652 96 HE2 HIS 14 HE2 HIS 14 43.201 50.207 16.875 97 H GLN 15 H GLN 15 47.279 49.307 10.530 98 HA GLN 15 HA GLN 15 49.185 47.009 9.947 99 HB2 GLN 15 1HB GLN 15 48.490 49.549 8.334 100 HB3 GLN 15 2HB GLN 15 49.769 48.447 7.899 101 HG2 GLN 15 2HG GLN 15 48.003 47.788 6.502 102 HG3 GLN 15 1HG GLN 15 48.105 46.529 7.705 103 HE21 GLN 15 1HE2 GLN 15 46.128 49.204 6.546 104 HE22 GLN 15 2HE2 GLN 15 44.658 48.682 7.529 105 H LYS 16 H LYS 16 51.131 47.059 10.921 106 HA LYS 16 HA LYS 16 52.497 49.720 11.648 107 HB2 LYS 16 2HB LYS 16 53.120 46.848 12.515 108 HB3 LYS 16 1HB LYS 16 54.195 48.197 12.802 109 HG2 LYS 16 1HG LYS 16 52.437 49.406 14.144 110 HG3 LYS 16 2HG LYS 16 51.297 48.093 13.862 111 HD2 LYS 16 1HD LYS 16 52.844 46.466 15.003 112 HD3 LYS 16 2HD LYS 16 54.027 47.716 15.303 113 HE2 LYS 16 2HE LYS 16 51.119 47.808 16.420 114 HE3 LYS 16 1HE LYS 16 52.433 46.995 17.254 115 HZ1 LYS 16 2HZ LYS 16 53.681 49.151 17.331 116 HZ2 LYS 16 3HZ LYS 16 52.463 49.935 16.567 117 HZ3 LYS 16 1HZ LYS 16 52.227 49.319 18.073 118 H LEU 17 H LEU 17 52.457 49.999 9.321 119 HA LEU 17 HA LEU 17 55.072 50.032 8.167 120 HB2 LEU 17 1HB LEU 17 54.947 48.589 6.156 121 HB3 LEU 17 2HB LEU 17 55.095 47.743 7.660 122 HG LEU 17 HG LEU 17 52.523 47.254 7.511 123 HD11 LEU 17 1HD2 LEU 17 51.924 48.829 5.605 124 HD12 LEU 17 2HD2 LEU 17 51.582 47.148 5.184 125 HD13 LEU 17 3HD2 LEU 17 53.025 47.949 4.523 126 HD21 LEU 17 2HD1 LEU 17 54.332 45.534 7.163 127 HD22 LEU 17 3HD1 LEU 17 52.962 45.245 6.078 128 HD23 LEU 17 1HD1 LEU 17 54.453 45.981 5.446 129 H VAL 18 H VAL 18 55.116 51.400 6.342 130 HA VAL 18 HA VAL 18 52.762 53.169 6.093 131 HB VAL 18 HB VAL 18 55.015 54.034 6.175 132 HG11 VAL 18 1HG1 VAL 18 56.566 54.136 4.271 133 HG12 VAL 18 2HG1 VAL 18 56.282 52.431 4.665 134 HG13 VAL 18 3HG1 VAL 18 55.485 53.158 3.252 135 HG21 VAL 18 1HG2 VAL 18 54.740 55.875 4.577 136 HG22 VAL 18 2HG2 VAL 18 53.162 55.448 5.257 137 HG23 VAL 18 3HG2 VAL 18 53.583 54.937 3.603 138 H PHE 19 H PHE 19 51.107 51.978 5.373 139 HA PHE 19 HA PHE 19 51.128 50.376 2.907 140 HB2 PHE 19 2HB PHE 19 49.690 49.990 5.009 141 HB3 PHE 19 1HB PHE 19 48.686 51.333 4.532 142 HD1 PHE 19 HD1 PHE 19 49.662 47.832 3.754 143 HD2 PHE 19 HD2 PHE 19 47.147 51.102 2.526 144 HE1 PHE 19 HE1 PHE 19 48.357 46.310 2.330 145 HE2 PHE 19 HE2 PHE 19 45.829 49.550 1.136 146 HZ PHE 19 HZ PHE 19 46.432 47.156 1.040 147 H PHE 20 H PHE 20 50.833 51.030 0.889 148 HA PHE 20 HA PHE 20 49.828 53.849 0.248 149 HB2 PHE 20 2HB PHE 20 51.275 51.812 -1.556 150 HB3 PHE 20 1HB PHE 20 50.661 53.348 -2.087 151 HD1 PHE 20 HD1 PHE 20 51.747 55.501 -1.435 152 HD2 PHE 20 HD2 PHE 20 53.326 51.734 -0.086 153 HE1 PHE 20 HE1 PHE 20 53.859 56.600 -0.805 154 HE2 PHE 20 HE2 PHE 20 55.430 52.844 0.534 155 HZ PHE 20 HZ PHE 20 55.704 55.277 0.178 156 H ALA 21 H ALA 21 47.691 53.954 -0.109 157 HA ALA 21 HA ALA 21 46.061 51.596 -1.042 158 HB1 ALA 21 1HB ALA 21 45.220 53.117 0.725 159 HB2 ALA 21 2HB ALA 21 45.247 54.499 -0.407 160 HB3 ALA 21 3HB ALA 21 44.146 53.133 -0.687 161 H GLU 22 H GLU 22 47.546 51.522 -2.939 162 HA GLU 22 HA GLU 22 46.001 52.338 -5.352 163 HB2 GLU 22 2HB GLU 22 47.820 53.387 -6.617 164 HB3 GLU 22 1HB GLU 22 47.340 54.340 -5.234 165 HG2 GLU 22 1HG GLU 22 49.440 53.636 -4.001 166 HG3 GLU 22 2HG GLU 22 49.934 52.648 -5.377 167 H ASP 23 H ASP 23 46.418 51.031 -7.154 168 HA ASP 23 HA ASP 23 47.449 48.310 -6.511 169 HB2 ASP 23 1HB ASP 23 45.363 48.795 -7.854 170 HB3 ASP 23 2HB ASP 23 46.362 49.383 -9.180 171 H VAL 24 H VAL 24 49.573 48.791 -6.039 172 HA VAL 24 HA VAL 24 51.479 49.583 -8.254 173 HB VAL 24 HB VAL 24 51.586 50.731 -6.104 174 HG11 VAL 24 1HG2 VAL 24 52.842 48.214 -4.829 175 HG12 VAL 24 2HG2 VAL 24 51.229 48.856 -4.442 176 HG13 VAL 24 3HG2 VAL 24 52.673 49.824 -4.090 177 HG21 VAL 24 1HG1 VAL 24 53.553 50.713 -7.649 178 HG22 VAL 24 2HG1 VAL 24 54.225 49.298 -6.797 179 HG23 VAL 24 3HG1 VAL 24 54.041 50.855 -5.953 180 H GLY 25 H GLY 25 51.600 47.922 -9.593 181 HA2 GLY 25 1HA GLY 25 53.194 45.446 -8.881 182 HA3 GLY 25 2HA GLY 25 51.480 45.141 -9.129 183 H SER 26 H SER 26 54.362 46.403 -10.634 184 HA SER 26 HA SER 26 53.311 45.653 -13.432 185 HB2 SER 26 2HB SER 26 53.355 48.138 -13.055 186 HB3 SER 26 1HB SER 26 55.074 48.074 -12.636 187 HG SER 26 HG SER 26 54.714 48.607 -14.837 188 H ASN 27 H ASN 27 55.155 45.307 -14.987 189 HA ASN 27 HA ASN 27 57.082 43.273 -13.908 190 HB2 ASN 27 1HB ASN 27 56.713 44.385 -16.746 191 HB3 ASN 27 2HB ASN 27 57.958 43.237 -16.335 192 HD21 ASN 27 1HD2 ASN 27 57.335 41.051 -15.791 193 HD22 ASN 27 2HD2 ASN 27 55.637 40.493 -16.236 194 H LYS 28 H LYS 28 58.164 44.468 -12.460 195 HA LYS 28 HA LYS 28 60.083 46.672 -13.327 196 HB2 LYS 28 1HB LYS 28 58.202 47.007 -11.606 197 HB3 LYS 28 2HB LYS 28 59.012 45.885 -10.551 198 HG2 LYS 28 2HG LYS 28 59.631 47.940 -9.666 199 HG3 LYS 28 1HG LYS 28 61.071 47.508 -10.571 200 HD2 LYS 28 1HD LYS 28 60.267 48.993 -12.489 201 HD3 LYS 28 2HD LYS 28 58.838 49.433 -11.585 202 HE2 LYS 28 1HE LYS 28 61.733 49.981 -10.575 203 HE3 LYS 28 2HE LYS 28 60.861 51.100 -11.609 204 HZ1 LYS 28 2HZ LYS 28 59.081 51.274 -9.870 205 HZ2 LYS 28 3HZ LYS 28 60.530 51.705 -9.233 206 HZ3 LYS 28 1HZ LYS 28 59.880 50.238 -8.884 207 H GLY 29 H GLY 29 60.264 43.893 -11.007 208 HA2 GLY 29 1HA GLY 29 63.318 43.804 -11.276 209 HA3 GLY 29 2HA GLY 29 62.373 42.901 -10.121 210 H ALA 30 H ALA 30 63.317 43.046 -13.468 211 HA ALA 30 HA ALA 30 62.202 40.321 -14.123 212 HB1 ALA 30 1HB ALA 30 63.131 40.780 -16.397 213 HB2 ALA 30 2HB ALA 30 62.146 42.143 -15.824 214 HB3 ALA 30 3HB ALA 30 63.928 42.253 -15.804 215 H ILE 31 H ILE 31 63.255 38.492 -13.828 216 HA ILE 31 HA ILE 31 66.310 38.332 -13.948 217 HB ILE 31 HB ILE 31 64.650 36.982 -11.746 218 HG12 ILE 31 1HG1 ILE 31 66.872 39.052 -11.185 219 HG13 ILE 31 2HG1 ILE 31 65.238 39.583 -11.455 220 HG21 ILE 31 2HG2 ILE 31 67.722 36.934 -12.193 221 HG22 ILE 31 3HG2 ILE 31 66.850 36.147 -10.859 222 HG23 ILE 31 1HG2 ILE 31 66.619 35.579 -12.517 223 HD11 ILE 31 1HD1 ILE 31 64.358 38.223 -9.548 224 HD12 ILE 31 2HD1 ILE 31 65.576 39.418 -9.060 225 HD13 ILE 31 3HD1 ILE 31 66.020 37.698 -9.160 226 H ILE 32 H ILE 32 66.362 37.304 -15.897 227 HA ILE 32 HA ILE 32 64.259 35.294 -16.655 228 HB ILE 32 HB ILE 32 64.920 37.008 -18.285 229 HG12 ILE 32 2HG1 ILE 32 65.268 35.494 -20.333 230 HG13 ILE 32 1HG1 ILE 32 65.386 34.123 -19.261 231 HG21 ILE 32 3HG2 ILE 32 67.617 35.560 -18.676 232 HG22 ILE 32 1HG2 ILE 32 67.419 37.140 -17.886 233 HG23 ILE 32 2HG2 ILE 32 66.999 36.954 -19.595 234 HD11 ILE 32 1HD1 ILE 32 62.963 34.605 -18.480 235 HD12 ILE 32 2HD1 ILE 32 62.929 36.000 -19.591 236 HD13 ILE 32 3HD1 ILE 32 63.096 34.354 -20.232 237 H GLY 33 H GLY 33 64.527 33.159 -16.973 238 HA2 GLY 33 1HA GLY 33 66.804 31.784 -15.479 239 HA3 GLY 33 2HA GLY 33 65.322 31.019 -15.996 240 H LEU 34 H LEU 34 65.087 30.580 -18.320 241 HA LEU 34 HA LEU 34 67.730 29.682 -19.564 242 HB2 LEU 34 2HB LEU 34 64.835 28.844 -20.218 243 HB3 LEU 34 1HB LEU 34 66.222 28.454 -21.197 244 HG LEU 34 HG LEU 34 67.291 27.308 -19.120 245 HD11 LEU 34 2HD1 LEU 34 65.683 26.387 -17.426 246 HD12 LEU 34 3HD1 LEU 34 65.723 28.147 -17.319 247 HD13 LEU 34 1HD1 LEU 34 64.353 27.343 -18.122 248 HD21 LEU 34 1HD2 LEU 34 64.745 26.088 -20.389 249 HD22 LEU 34 2HD2 LEU 34 66.058 25.183 -19.598 250 HD23 LEU 34 3HD2 LEU 34 66.376 26.064 -21.101 251 H MET 35 H MET 35 68.600 30.974 -21.028 252 HA MET 35 HA MET 35 66.989 33.130 -22.445 253 HB2 MET 35 2HB MET 35 69.194 33.568 -21.202 254 HB3 MET 35 1HB MET 35 70.035 32.679 -22.461 255 HG2 MET 35 1HG MET 35 68.336 35.244 -22.895 256 HG3 MET 35 2HG MET 35 70.095 35.186 -22.734 257 HE1 MET 35 2HE MET 35 69.657 36.042 -26.517 258 HE2 MET 35 1HE MET 35 70.420 36.500 -24.968 259 HE3 MET 35 3HE MET 35 68.641 36.586 -25.152 260 H VAL 36 H VAL 36 66.072 32.544 -24.302 261 HA VAL 36 HA VAL 36 67.378 30.460 -26.158 262 HB VAL 36 HB VAL 36 64.451 31.357 -26.088 263 HG11 VAL 36 1HG2 VAL 36 64.022 29.570 -27.775 264 HG12 VAL 36 2HG2 VAL 36 65.749 29.146 -27.837 265 HG13 VAL 36 3HG2 VAL 36 65.187 30.725 -28.433 266 HG21 VAL 36 1HG1 VAL 36 65.643 28.596 -25.315 267 HG22 VAL 36 2HG1 VAL 36 65.015 29.793 -24.163 268 HG23 VAL 36 3HG1 VAL 36 63.916 29.037 -25.326 269 H GLY 37 H GLY 37 68.735 31.619 -27.353 270 HA2 GLY 37 1HA GLY 37 67.776 33.687 -29.304 271 HA3 GLY 37 2HA GLY 37 68.706 34.420 -28.007 272 H GLY 38 H GLY 38 70.922 33.839 -27.803 273 HA2 GLY 38 1HA GLY 38 72.346 31.952 -29.581 274 HA3 GLY 38 2HA GLY 38 72.451 33.562 -30.279 275 H VAL 39 H VAL 39 73.288 31.601 -27.507 276 HA VAL 39 HA VAL 39 75.738 33.282 -27.024 277 HB VAL 39 HB VAL 39 75.567 33.251 -24.548 278 HG11 VAL 39 1HG1 VAL 39 74.280 35.339 -24.312 279 HG12 VAL 39 2HG1 VAL 39 75.179 35.364 -25.842 280 HG13 VAL 39 3HG1 VAL 39 73.432 35.046 -25.849 281 HG21 VAL 39 1HG2 VAL 39 72.524 32.793 -24.815 282 HG22 VAL 39 2HG2 VAL 39 73.678 31.628 -24.130 283 HG23 VAL 39 3HG2 VAL 39 73.423 33.182 -23.327 284 H VAL 40 H VAL 40 77.300 31.831 -27.352 285 HA VAL 40 HA VAL 40 77.357 29.285 -25.824 286 HB VAL 40 HB VAL 40 78.075 27.851 -27.713 287 HG11 VAL 40 1HG1 VAL 40 75.123 28.686 -27.967 288 HG12 VAL 40 2HG1 VAL 40 75.828 27.121 -28.442 289 HG13 VAL 40 3HG1 VAL 40 75.783 27.596 -26.731 290 HG21 VAL 40 1HG2 VAL 40 78.516 29.531 -29.533 291 HG22 VAL 40 2HG2 VAL 40 76.773 29.850 -29.672 292 HG23 VAL 40 3HG2 VAL 40 77.427 28.237 -30.068 293 HCG9 23Y 101 HCG9 EVG 1 51.665 42.184 2.333 294 HCG3 23Y 101 HCG3 EVG 1 47.527 42.667 0.681 295 HCG7 23Y 101 HCG7 EVG 1 50.949 37.991 2.744 296 HCG4 23Y 101 HCG4 EVG 1 46.897 41.105 3.236 297 HCB1 23Y 101 HCB1 EVG 1 47.840 43.922 4.203 298 HCB2 23Y 101 HCB2 EVG 1 46.330 45.608 5.170 299 HOB3 23Y 101 HOB3 EVG 1 44.486 46.817 4.877 300 HCB4 23Y 101 HCB4 EVG 1 43.788 45.320 1.734 301 HCB5 23Y 101 HCB5 EVG 1 45.284 43.627 0.756 302 HCC1 23Y 101 HCC1 EVG 1 44.628 40.644 2.703 303 HOC2 23Y 101 HOC2 EVG 1 42.584 39.902 2.251 304 HCC3 23Y 101 HCC3 EVG 1 43.523 38.796 -0.976 305 HOC4 23Y 101 HOC4 EVG 1 45.148 38.552 -2.493 306 HCC5 23Y 101 HCC5 EVG 1 47.558 40.069 -0.395 307 HCD1 23Y 101 HCD1 EVG 1 47.106 38.278 2.600 308 HCD2 23Y 101 HCD2 EVG 1 49.454 36.392 2.861 309 HCE1 23Y 101 HCE1 EVG 1 44.081 34.764 2.913 310 HOE2 23Y 101 HOE2 EVG 1 43.926 32.558 3.235 311 HCE3 23Y 101 HCE3 EVG 1 47.441 32.152 3.374 312 HCE4 23Y 101 HCE4 EVG 1 48.971 34.060 3.180 313 HCE6 23Y 101 HCE6 EVG 1 45.577 36.686 2.706 314 HCF5 23Y 101 HCF5 EVG 1 53.875 36.133 3.622 315 HCF1 23Y 101 HCF1 EVG 1 53.412 38.073 1.949 316 HCF2 23Y 101 HCF2 EVG 1 55.265 39.928 3.576 317 HOF2 23Y 101 HOF2 EVG 1 55.417 38.917 0.912 318 HCF3 23Y 101 HCF3 EVG 1 56.003 37.172 2.403 319 HOF3 23Y 101 HOF3 EVG 1 57.563 38.913 2.661 320 HCF4 23Y 101 HCF4 EVG 1 55.680 37.935 5.363 321 HOF4 23Y 101 HOF4 EVG 1 57.205 36.342 4.663 322 HF61 23Y 101 HF61 EVG 1 53.951 35.398 6.008 323 HF62 23Y 101 HF62 EVG 1 52.364 36.009 5.534 324 HCF6 23Y 101 HCF6 EVG 1 54.349 37.552 6.875 325 HCG9 23Y 102 HCG9 EVG 2 69.001 42.599 -4.314 326 HCG3 23Y 102 HCG3 EVG 2 66.416 39.620 -2.183 327 HCG7 23Y 102 HCG7 EVG 2 65.529 44.118 -6.290 328 HCG4 23Y 102 HCG4 EVG 2 65.509 39.126 -5.066 329 HCB1 23Y 102 HCB1 EVG 2 68.454 38.082 -4.930 330 HCB2 23Y 102 HCB2 EVG 2 69.068 35.703 -4.971 331 HOB3 23Y 102 HOB3 EVG 2 68.759 33.699 -4.050 332 HCB4 23Y 102 HCB4 EVG 2 66.421 34.943 -1.691 333 HCB5 23Y 102 HCB5 EVG 2 65.792 37.324 -1.634 334 HCC1 23Y 102 HCC1 EVG 2 63.626 37.778 -4.526 335 HOC2 23Y 102 HOC2 EVG 2 60.457 37.287 -3.043 336 HCC3 23Y 102 HCC3 EVG 2 60.624 39.126 -1.798 337 HOC4 23Y 102 HOC4 EVG 2 62.576 41.928 -0.868 338 HCC5 23Y 102 HCC5 EVG 2 64.238 41.363 -2.227 339 HCD1 23Y 102 HCD1 EVG 2 63.364 40.996 -5.640 340 HCD2 23Y 102 HCD2 EVG 2 63.454 43.749 -6.887 341 HCE1 23Y 102 HCE1 EVG 2 58.970 40.370 -7.029 342 HOE2 23Y 102 HOE2 EVG 2 57.387 42.926 -8.911 343 HCE3 23Y 102 HCE3 EVG 2 59.182 44.246 -8.824 344 HCE4 23Y 102 HCE4 EVG 2 61.486 44.507 -8.037 345 HCE6 23Y 102 HCE6 EVG 2 61.269 40.600 -6.215 346 HCF5 23Y 102 HCF5 EVG 2 66.105 47.142 -8.088 347 HCF1 23Y 102 HCF1 EVG 2 66.904 46.286 -5.774 348 HCF2 23Y 102 HCF2 EVG 2 69.829 46.180 -6.749 349 HOF2 23Y 102 HOF2 EVG 2 69.448 46.450 -4.507 350 HCF3 23Y 102 HCF3 EVG 2 67.964 48.630 -6.808 351 HOF3 23Y 102 HOF3 EVG 2 70.571 48.077 -7.788 352 HCF4 23Y 102 HCF4 EVG 2 68.968 47.020 -9.240 353 HOF4 23Y 102 HOF4 EVG 2 68.575 49.308 -9.332 354 HF61 23Y 102 HF61 EVG 2 67.303 45.466 -10.381 355 HF62 23Y 102 HF62 EVG 2 65.705 45.211 -9.671 356 HCF6 23Y 102 HOF6 EVG 2 65.717 46.571 -11.572 Start of MODEL 12 1 H1 ASP 1 1H ASP 1 21.894 43.052 25.219 2 H2 ASP 1 2H ASP 1 23.220 43.233 24.240 3 H3 ASP 1 3H ASP 1 22.350 41.828 24.216 4 HA ASP 1 HA ASP 1 23.885 42.870 26.537 5 HB2 ASP 1 1HB ASP 1 21.717 41.627 27.061 6 HB3 ASP 1 2HB ASP 1 22.368 40.188 26.276 7 H ALA 2 H ALA 2 23.871 39.888 24.398 8 HA ALA 2 HA ALA 2 26.837 39.688 24.649 9 HB1 ALA 2 1HB ALA 2 24.807 38.060 22.972 10 HB2 ALA 2 2HB ALA 2 26.504 37.634 23.245 11 HB3 ALA 2 3HB ALA 2 25.381 37.663 24.618 12 H GLU 3 H GLU 3 28.313 40.475 23.305 13 HA GLU 3 HA GLU 3 27.699 41.091 20.382 14 HB2 GLU 3 2HB GLU 3 29.005 43.104 22.318 15 HB3 GLU 3 1HB GLU 3 29.138 43.206 20.570 16 HG2 GLU 3 1HG GLU 3 26.619 43.426 20.348 17 HG3 GLU 3 2HG GLU 3 26.468 43.353 22.105 18 H PHE 4 H PHE 4 28.996 39.646 19.482 19 HA PHE 4 HA PHE 4 31.960 39.507 20.235 20 HB2 PHE 4 2HB PHE 4 30.142 37.021 20.008 21 HB3 PHE 4 1HB PHE 4 31.876 36.987 20.162 22 HD1 PHE 4 HD2 PHE 4 32.998 37.630 22.354 23 HD2 PHE 4 HD1 PHE 4 28.716 37.558 21.987 24 HE1 PHE 4 HE2 PHE 4 32.776 37.672 24.809 25 HE2 PHE 4 HE1 PHE 4 28.515 37.612 24.447 26 HZ PHE 4 HZ PHE 4 30.534 37.666 25.853 27 H ARG 5 H ARG 5 33.141 39.668 18.444 28 HA ARG 5 HA ARG 5 32.161 38.483 15.836 29 HB2 ARG 5 1HB ARG 5 32.708 40.369 14.449 30 HB3 ARG 5 2HB ARG 5 31.420 40.734 15.576 31 HG2 ARG 5 2HG ARG 5 33.034 42.076 17.002 32 HG3 ARG 5 1HG ARG 5 34.344 41.699 15.878 33 HD2 ARG 5 1HD ARG 5 33.093 42.856 14.000 34 HD3 ARG 5 2HD ARG 5 31.751 43.225 15.110 35 HE ARG 5 HE ARG 5 34.180 44.235 16.354 36 HH11 ARG 5 1HH2 ARG 5 32.294 44.978 13.511 37 HH12 ARG 5 2HH2 ARG 5 32.873 46.713 13.507 38 HH21 ARG 5 2HH1 ARG 5 34.799 46.207 16.304 39 HH22 ARG 5 1HH1 ARG 5 34.219 47.355 15.017 40 H HIS 6 H HIS 6 33.633 37.414 14.761 41 HA HIS 6 HA HIS 6 36.615 37.758 15.355 42 HB2 HIS 6 2HB HIS 6 35.067 35.078 15.442 43 HB3 HIS 6 1HB HIS 6 36.802 35.183 15.266 44 HD2 HIS 6 HD2 HIS 6 34.054 35.594 17.938 45 HE1 HIS 6 HE1 HIS 6 37.711 36.040 19.902 46 HE2 HIS 6 HE2 HIS 6 35.184 35.777 20.358 47 H ASP 7 H ASP 7 37.659 38.003 13.490 48 HA ASP 7 HA ASP 7 36.325 37.378 10.845 49 HB2 ASP 7 2HB ASP 7 38.896 38.925 11.548 50 HB3 ASP 7 1HB ASP 7 38.409 38.567 9.906 51 H SER 8 H SER 8 36.747 35.589 9.749 52 HA SER 8 HA SER 8 38.847 33.638 10.651 53 HB2 SER 8 2HB SER 8 36.739 33.420 8.417 54 HB3 SER 8 1HB SER 8 37.832 32.119 8.910 55 HG SER 8 HG SER 8 35.774 32.056 9.970 56 H GLY 9 H GLY 9 40.780 33.348 9.765 57 HA2 GLY 9 1HA GLY 9 42.414 33.055 7.907 58 HA3 GLY 9 2HA GLY 9 41.393 33.973 6.826 59 H TYR 10 H TYR 10 41.372 36.281 7.089 60 HA TYR 10 HA TYR 10 44.002 37.414 8.146 61 HB2 TYR 10 2HB TYR 10 43.756 39.304 6.718 62 HB3 TYR 10 1HB TYR 10 43.709 37.835 5.806 63 HD1 TYR 10 HD2 TYR 10 41.714 40.762 6.894 64 HD2 TYR 10 HD1 TYR 10 41.614 37.157 4.572 65 HE1 TYR 10 HE2 TYR 10 39.679 41.559 5.742 66 HE2 TYR 10 HE1 TYR 10 39.563 37.932 3.462 67 HH TYR 10 HH TYR 10 38.045 39.554 3.312 68 H GLU 11 H GLU 11 43.857 38.049 10.185 69 HA GLU 11 HA GLU 11 41.623 39.971 10.990 70 HB2 GLU 11 1HB GLU 11 41.247 39.020 13.122 71 HB3 GLU 11 2HB GLU 11 40.907 37.862 11.860 72 HG2 GLU 11 1HG GLU 11 43.030 36.595 12.399 73 HG3 GLU 11 2HG GLU 11 43.411 37.763 13.670 74 H VAL 12 H VAL 12 42.988 41.612 10.529 75 HA VAL 12 HA VAL 12 44.808 42.405 12.769 76 HB VAL 12 HB VAL 12 46.659 43.284 11.353 77 HG11 VAL 12 1HG2 VAL 12 47.994 41.218 11.299 78 HG12 VAL 12 2HG2 VAL 12 46.527 40.212 11.345 79 HG13 VAL 12 3HG2 VAL 12 46.959 41.217 12.741 80 HG21 VAL 12 1HG1 VAL 12 45.687 43.144 9.024 81 HG22 VAL 12 2HG1 VAL 12 45.756 41.368 9.108 82 HG23 VAL 12 3HG1 VAL 12 47.254 42.331 9.168 83 H HIS 13 H HIS 13 43.963 44.266 13.357 84 HA HIS 13 HA HIS 13 42.410 45.974 11.435 85 HB2 HIS 13 1HB HIS 13 41.631 45.382 13.781 86 HB3 HIS 13 2HB HIS 13 42.890 46.402 14.445 87 HD2 HIS 13 HD2 HIS 13 39.532 46.571 12.473 88 HE1 HIS 13 HE1 HIS 13 40.361 50.453 13.759 89 HE2 HIS 13 HE2 HIS 13 38.523 49.040 12.631 90 H HIS 14 H HIS 14 45.193 46.813 13.619 91 HA HIS 14 HA HIS 14 45.790 49.200 11.871 92 HB2 HIS 14 2HB HIS 14 47.390 49.924 13.497 93 HB3 HIS 14 1HB HIS 14 45.845 49.616 14.234 94 HD2 HIS 14 HD2 HIS 14 49.494 48.282 14.190 95 HE1 HIS 14 HE1 HIS 14 47.625 46.553 17.492 96 HE2 HIS 14 HE2 HIS 14 49.935 46.811 16.378 97 H GLN 15 H GLN 15 47.072 49.069 10.185 98 HA GLN 15 HA GLN 15 48.974 46.726 9.779 99 HB2 GLN 15 2HB GLN 15 47.260 47.395 8.066 100 HB3 GLN 15 1HB GLN 15 48.063 48.949 7.862 101 HG2 GLN 15 1HG GLN 15 50.152 47.739 7.039 102 HG3 GLN 15 2HG GLN 15 49.358 46.188 7.269 103 HE21 GLN 15 2HE2 GLN 15 47.836 45.552 5.675 104 HE22 GLN 15 1HE2 GLN 15 47.532 46.590 4.179 105 H LYS 16 H LYS 16 50.605 47.205 11.216 106 HA LYS 16 HA LYS 16 52.249 49.787 10.841 107 HB2 LYS 16 1HB LYS 16 51.360 49.168 13.148 108 HB3 LYS 16 2HB LYS 16 52.344 47.721 13.101 109 HG2 LYS 16 2HG LYS 16 53.611 49.159 14.410 110 HG3 LYS 16 1HG LYS 16 54.428 49.293 12.866 111 HD2 LYS 16 2HD LYS 16 53.146 51.490 12.438 112 HD3 LYS 16 1HD LYS 16 52.342 51.301 13.997 113 HE2 LYS 16 1HE LYS 16 54.607 51.364 15.186 114 HE3 LYS 16 2HE LYS 16 55.419 51.553 13.632 115 HZ1 LYS 16 2HZ LYS 16 54.138 53.681 13.297 116 HZ2 LYS 16 3HZ LYS 16 55.005 53.770 14.689 117 HZ3 LYS 16 1HZ LYS 16 53.386 53.504 14.741 118 H LEU 17 H LEU 17 52.702 48.810 8.745 119 HA LEU 17 HA LEU 17 55.401 47.539 8.625 120 HB2 LEU 17 1HB LEU 17 53.777 45.566 8.867 121 HB3 LEU 17 2HB LEU 17 53.037 45.981 7.344 122 HG LEU 17 HG LEU 17 56.060 45.365 7.579 123 HD11 LEU 17 1HD2 LEU 17 54.806 43.415 8.545 124 HD12 LEU 17 2HD2 LEU 17 55.569 42.986 7.006 125 HD13 LEU 17 3HD2 LEU 17 53.819 43.295 7.068 126 HD21 LEU 17 2HD1 LEU 17 54.139 45.038 5.159 127 HD22 LEU 17 3HD1 LEU 17 55.877 44.652 5.179 128 HD23 LEU 17 1HD1 LEU 17 55.350 46.319 5.340 129 H VAL 18 H VAL 18 56.389 48.542 6.886 130 HA VAL 18 HA VAL 18 54.884 50.440 5.187 131 HB VAL 18 HB VAL 18 56.958 50.834 3.901 132 HG11 VAL 18 1HG2 VAL 18 58.086 52.159 5.629 133 HG12 VAL 18 2HG2 VAL 18 56.333 52.254 5.868 134 HG13 VAL 18 3HG2 VAL 18 57.317 51.223 6.933 135 HG21 VAL 18 1HG1 VAL 18 58.223 48.668 4.211 136 HG22 VAL 18 2HG1 VAL 18 59.175 50.091 4.653 137 HG23 VAL 18 3HG1 VAL 18 58.475 49.065 5.927 138 H PHE 19 H PHE 19 53.451 49.685 3.822 139 HA PHE 19 HA PHE 19 53.621 47.130 2.437 140 HB2 PHE 19 1HB PHE 19 51.503 48.435 3.161 141 HB3 PHE 19 2HB PHE 19 51.729 49.477 1.784 142 HD1 PHE 19 HD1 PHE 19 51.314 48.571 -0.553 143 HD2 PHE 19 HD2 PHE 19 50.761 46.072 2.907 144 HE1 PHE 19 HE1 PHE 19 50.055 46.953 -1.913 145 HE2 PHE 19 HE2 PHE 19 49.490 44.468 1.531 146 HZ PHE 19 HZ PHE 19 49.140 44.903 -0.876 147 H PHE 20 H PHE 20 54.218 46.571 0.417 148 HA PHE 20 HA PHE 20 55.716 48.582 -1.313 149 HB2 PHE 20 1HB PHE 20 55.589 45.510 -1.437 150 HB3 PHE 20 2HB PHE 20 56.355 46.485 -2.654 151 HD1 PHE 20 HD2 PHE 20 58.479 47.724 -2.209 152 HD2 PHE 20 HD1 PHE 20 56.654 45.323 0.859 153 HE1 PHE 20 HE2 PHE 20 60.575 47.767 -0.916 154 HE2 PHE 20 HE1 PHE 20 58.754 45.378 2.140 155 HZ PHE 20 HZ PHE 20 60.717 46.595 1.257 156 H ALA 21 H ALA 21 54.588 49.600 -2.802 157 HA ALA 21 HA ALA 21 51.961 48.710 -3.892 158 HB1 ALA 21 1HB ALA 21 52.555 51.122 -3.474 159 HB2 ALA 21 2HB ALA 21 52.173 50.873 -5.187 160 HB3 ALA 21 3HB ALA 21 53.867 51.034 -4.681 161 H GLU 22 H GLU 22 51.466 48.290 -6.143 162 HA GLU 22 HA GLU 22 53.457 46.540 -7.476 163 HB2 GLU 22 2HB GLU 22 51.781 45.808 -8.934 164 HB3 GLU 22 1HB GLU 22 51.176 45.832 -7.297 165 HG2 GLU 22 2HG GLU 22 49.808 47.938 -7.859 166 HG3 GLU 22 1HG GLU 22 50.424 47.865 -9.510 167 H ASP 23 H ASP 23 54.885 48.430 -7.525 168 HA ASP 23 HA ASP 23 55.537 48.912 -10.388 169 HB2 ASP 23 1HB ASP 23 54.033 50.940 -9.843 170 HB3 ASP 23 2HB ASP 23 55.217 51.453 -8.648 171 H VAL 24 H VAL 24 57.400 47.846 -10.057 172 HA VAL 24 HA VAL 24 59.489 48.930 -8.135 173 HB VAL 24 HB VAL 24 58.820 45.932 -8.125 174 HG11 VAL 24 1HG1 VAL 24 60.921 47.471 -6.433 175 HG12 VAL 24 2HG1 VAL 24 61.302 46.413 -7.811 176 HG13 VAL 24 3HG1 VAL 24 60.573 45.728 -6.352 177 HG21 VAL 24 1HG2 VAL 24 58.200 46.172 -5.714 178 HG22 VAL 24 2HG2 VAL 24 57.145 47.190 -6.702 179 HG23 VAL 24 3HG2 VAL 24 58.465 47.935 -5.785 180 H GLY 25 H GLY 25 60.754 49.605 -9.722 181 HA2 GLY 25 1HA GLY 25 61.917 47.624 -11.770 182 HA3 GLY 25 2HA GLY 25 61.089 49.051 -12.377 183 H SER 26 H SER 26 63.779 47.938 -10.427 184 HA SER 26 HA SER 26 65.101 50.650 -10.358 185 HB2 SER 26 2HB SER 26 66.756 49.583 -8.887 186 HB3 SER 26 1HB SER 26 65.133 49.210 -8.329 187 HG SER 26 HG SER 26 66.688 47.501 -10.012 188 H ASN 27 H ASN 27 66.923 51.218 -11.458 189 HA ASN 27 HA ASN 27 67.685 49.674 -13.933 190 HB2 ASN 27 1HB ASN 27 68.692 52.377 -12.839 191 HB3 ASN 27 2HB ASN 27 69.290 51.621 -14.292 192 HD21 ASN 27 1HD2 ASN 27 66.457 53.214 -12.949 193 HD22 ASN 27 2HD2 ASN 27 65.679 53.418 -14.605 194 H LYS 28 H LYS 28 68.502 47.813 -13.112 195 HA LYS 28 HA LYS 28 71.079 47.882 -11.484 196 HB2 LYS 28 1HB LYS 28 70.677 45.602 -10.841 197 HB3 LYS 28 2HB LYS 28 69.332 46.632 -10.427 198 HG2 LYS 28 2HG LYS 28 68.029 45.662 -12.433 199 HG3 LYS 28 1HG LYS 28 69.392 44.591 -12.752 200 HD2 LYS 28 2HD LYS 28 69.189 43.622 -10.431 201 HD3 LYS 28 1HD LYS 28 67.835 44.653 -10.055 202 HE2 LYS 28 2HE LYS 28 67.838 42.559 -12.362 203 HE3 LYS 28 1HE LYS 28 67.372 42.171 -10.714 204 HZ1 LYS 28 2HZ LYS 28 65.575 43.890 -10.845 205 HZ2 LYS 28 3HZ LYS 28 65.986 44.269 -12.385 206 HZ3 LYS 28 1HZ LYS 28 65.372 42.782 -12.040 207 H GLY 29 H GLY 29 72.930 46.944 -12.103 208 HA2 GLY 29 1HA GLY 29 73.247 45.446 -14.715 209 HA3 GLY 29 2HA GLY 29 73.894 47.079 -14.761 210 H ALA 30 H ALA 30 75.628 47.591 -13.290 211 HA ALA 30 HA ALA 30 77.476 45.273 -12.692 212 HB1 ALA 30 1HB ALA 30 79.167 47.074 -12.302 213 HB2 ALA 30 2HB ALA 30 77.922 48.328 -12.482 214 HB3 ALA 30 3HB ALA 30 78.365 47.294 -13.869 215 H ILE 31 H ILE 31 77.785 44.453 -10.719 216 HA ILE 31 HA ILE 31 77.145 46.084 -8.229 217 HB ILE 31 HB ILE 31 75.220 44.658 -8.714 218 HG12 ILE 31 2HG1 ILE 31 76.450 43.628 -6.102 219 HG13 ILE 31 1HG1 ILE 31 76.116 45.334 -6.308 220 HG21 ILE 31 2HG2 ILE 31 75.184 42.193 -8.393 221 HG22 ILE 31 3HG2 ILE 31 76.945 42.160 -8.135 222 HG23 ILE 31 1HG2 ILE 31 76.280 42.608 -9.720 223 HD11 ILE 31 1HD1 ILE 31 73.697 44.912 -6.735 224 HD12 ILE 31 2HD1 ILE 31 74.206 44.264 -5.169 225 HD13 ILE 31 3HD1 ILE 31 73.939 43.157 -6.536 226 H ILE 32 H ILE 32 78.877 46.282 -6.992 227 HA ILE 32 HA ILE 32 81.281 44.498 -7.428 228 HB ILE 32 HB ILE 32 82.543 45.929 -5.878 229 HG12 ILE 32 2HG1 ILE 32 80.469 48.172 -6.050 230 HG13 ILE 32 1HG1 ILE 32 80.332 47.001 -4.762 231 HG21 ILE 32 3HG2 ILE 32 82.947 47.765 -7.498 232 HG22 ILE 32 1HG2 ILE 32 82.715 46.223 -8.336 233 HG23 ILE 32 2HG2 ILE 32 81.404 47.423 -8.315 234 HD11 ILE 32 1HD1 ILE 32 82.664 47.516 -3.944 235 HD12 ILE 32 2HD1 ILE 32 82.832 48.756 -5.215 236 HD13 ILE 32 3HD1 ILE 32 81.603 48.938 -3.943 237 H GLY 33 H GLY 33 81.731 42.810 -6.214 238 HA2 GLY 33 1HA GLY 33 80.114 42.139 -3.728 239 HA3 GLY 33 2HA GLY 33 81.245 41.081 -4.534 240 H LEU 34 H LEU 34 81.097 43.972 -2.525 241 HA LEU 34 HA LEU 34 83.914 43.525 -1.457 242 HB2 LEU 34 2HB LEU 34 83.012 45.832 -2.136 243 HB3 LEU 34 1HB LEU 34 81.889 45.730 -0.799 244 HG LEU 34 HG LEU 34 83.995 45.493 0.764 245 HD11 LEU 34 2HD1 LEU 34 85.437 46.608 -1.751 246 HD12 LEU 34 3HD1 LEU 34 86.129 46.460 -0.121 247 HD13 LEU 34 1HD1 LEU 34 85.726 45.001 -1.041 248 HD21 LEU 34 1HD2 LEU 34 83.548 48.134 -0.787 249 HD22 LEU 34 2HD2 LEU 34 84.318 47.975 0.810 250 HD23 LEU 34 3HD2 LEU 34 82.604 47.573 0.613 251 H MET 35 H MET 35 84.103 42.055 0.120 252 HA MET 35 HA MET 35 81.830 41.411 2.034 253 HB2 MET 35 2HB MET 35 84.574 40.085 1.620 254 HB3 MET 35 1HB MET 35 83.482 39.644 2.915 255 HG2 MET 35 2HG MET 35 82.740 39.398 -0.070 256 HG3 MET 35 1HG MET 35 83.316 38.085 0.971 257 HE1 MET 35 2HE MET 35 80.617 37.919 -0.659 258 HE2 MET 35 1HE MET 35 81.208 36.616 0.420 259 HE3 MET 35 3HE MET 35 79.524 37.202 0.562 260 H VAL 36 H VAL 36 81.678 42.448 3.890 261 HA VAL 36 HA VAL 36 84.139 43.740 5.222 262 HB VAL 36 HB VAL 36 81.187 44.468 5.594 263 HG11 VAL 36 1HG2 VAL 36 83.681 45.834 6.833 264 HG12 VAL 36 2HG2 VAL 36 81.989 46.355 7.015 265 HG13 VAL 36 3HG2 VAL 36 82.518 44.825 7.723 266 HG21 VAL 36 1HG1 VAL 36 82.119 45.353 3.399 267 HG22 VAL 36 2HG1 VAL 36 83.440 46.151 4.277 268 HG23 VAL 36 3HG1 VAL 36 81.751 46.660 4.534 269 H GLY 37 H GLY 37 84.926 42.112 6.406 270 HA2 GLY 37 1HA GLY 37 83.532 41.058 8.807 271 HA3 GLY 37 2HA GLY 37 83.486 39.845 7.535 272 H GLY 38 H GLY 38 85.498 38.986 6.789 273 HA2 GLY 38 1HA GLY 38 87.719 38.882 8.886 274 HA3 GLY 38 2HA GLY 38 87.570 37.831 7.498 275 H VAL 39 H VAL 39 88.488 41.062 8.495 276 HA VAL 39 HA VAL 39 89.976 41.547 5.882 277 HB VAL 39 HB VAL 39 88.493 43.292 6.738 278 HG11 VAL 39 1HG1 VAL 39 89.075 44.847 8.549 279 HG12 VAL 39 2HG1 VAL 39 88.923 43.219 9.236 280 HG13 VAL 39 3HG1 VAL 39 90.533 43.921 8.965 281 HG21 VAL 39 1HG2 VAL 39 89.944 45.201 6.196 282 HG22 VAL 39 2HG2 VAL 39 91.411 44.239 6.500 283 HG23 VAL 39 3HG2 VAL 39 90.336 43.836 5.139 284 H VAL 40 H VAL 40 91.611 40.085 5.925 285 HA VAL 40 HA VAL 40 93.902 40.622 7.811 286 HB VAL 40 HB VAL 40 92.586 38.764 8.836 287 HG11 VAL 40 1HG1 VAL 40 92.603 36.447 7.971 288 HG12 VAL 40 2HG1 VAL 40 91.794 37.500 6.787 289 HG13 VAL 40 3HG1 VAL 40 93.457 36.957 6.493 290 HG21 VAL 40 1HG2 VAL 40 94.520 37.327 9.393 291 HG22 VAL 40 2HG2 VAL 40 95.410 37.909 7.962 292 HG23 VAL 40 3HG2 VAL 40 95.033 39.023 9.296 293 HCG9 23Y 101 HCG9 EVG 1 46.609 44.679 -1.078 294 HCG3 23Y 101 HCG3 EVG 1 46.272 44.877 3.381 295 HCG7 23Y 101 HCG7 EVG 1 42.344 44.756 -1.345 296 HCG4 23Y 101 HCG4 EVG 1 44.359 42.557 2.829 297 HCB1 23Y 101 HCB1 EVG 1 46.632 43.927 5.616 298 HCB2 23Y 101 HCB2 EVG 1 47.899 42.316 6.961 299 HOB3 23Y 101 HOB3 EVG 1 48.965 40.363 6.987 300 HCB4 23Y 101 HCB4 EVG 1 48.442 39.831 3.517 301 HCB5 23Y 101 HCB5 EVG 1 47.228 41.474 2.133 302 HCC1 23Y 101 HCC1 EVG 1 43.898 46.350 3.217 303 HOC2 23Y 101 HOC2 EVG 1 42.054 47.844 5.843 304 HCC3 23Y 101 HCC3 EVG 1 41.750 45.909 6.889 305 HOC4 23Y 101 HOC4 EVG 1 42.341 42.433 6.934 306 HCC5 23Y 101 HCC5 EVG 1 43.437 42.466 5.013 307 HCD1 23Y 101 HCD1 EVG 1 41.747 43.686 2.310 308 HCD2 23Y 101 HCD2 EVG 1 40.436 44.454 -0.302 309 HCE1 23Y 101 HCE1 EVG 1 37.617 43.045 4.348 310 HOE2 23Y 101 HOE2 EVG 1 34.676 43.495 2.416 311 HCE3 23Y 101 HCE3 EVG 1 35.824 44.038 0.590 312 HCE4 23Y 101 HCE4 EVG 1 38.035 44.380 -0.397 313 HCE6 23Y 101 HCE6 EVG 1 39.846 43.381 3.395 314 HCF5 23Y 101 HCF5 EVG 1 41.304 44.855 -4.998 315 HCF1 23Y 101 HCF1 EVG 1 43.057 46.179 -3.332 316 HCF2 23Y 101 HCF2 EVG 1 45.508 45.961 -4.793 317 HOF2 23Y 101 HOF2 EVG 1 43.015 46.802 -5.826 318 HCF3 23Y 101 HCF3 EVG 1 44.756 45.145 -7.067 319 HOF3 23Y 101 HOF3 EVG 1 44.771 43.341 -4.894 320 HCF4 23Y 101 HCF4 EVG 1 42.953 43.260 -6.910 321 HOF4 23Y 101 HOF4 EVG 1 42.711 45.159 -8.049 322 HF61 23Y 101 HF61 EVG 1 40.611 42.587 -5.821 323 HF62 23Y 101 HF62 EVG 1 40.655 42.713 -4.062 324 HCF6 23Y 101 HCF6 EVG 1 42.752 41.619 -5.658 325 HCG9 23Y 102 HCG9 EVG 2 74.096 37.797 -13.787 326 HCG3 23Y 102 HCG3 EVG 2 71.745 35.713 -10.575 327 HCG7 23Y 102 HCG7 EVG 2 73.712 41.449 -11.607 328 HCG4 23Y 102 HCG4 EVG 2 69.870 38.068 -11.129 329 HCB1 23Y 102 HCB1 EVG 2 69.724 36.275 -13.685 330 HCB2 23Y 102 HCB2 EVG 2 67.756 34.908 -14.272 331 HOB3 23Y 102 HOB3 EVG 2 66.357 32.594 -11.977 332 HCB4 23Y 102 HCB4 EVG 2 67.854 33.080 -10.401 333 HCB5 23Y 102 HCB5 EVG 2 69.812 34.431 -9.797 334 HCC1 23Y 102 HCC1 EVG 2 68.468 37.753 -9.232 335 HOC2 23Y 102 HOC2 EVG 2 67.899 37.639 -5.748 336 HCC3 23Y 102 HCC3 EVG 2 70.068 37.520 -5.281 337 HOC4 23Y 102 HOC4 EVG 2 72.280 37.380 -5.118 338 HCC5 23Y 102 HCC5 EVG 2 72.724 37.476 -8.627 339 HCD1 23Y 102 HCD1 EVG 2 70.730 40.288 -9.468 340 HCD2 23Y 102 HCD2 EVG 2 72.648 42.550 -10.076 341 HCE1 23Y 102 HCE1 EVG 2 68.560 42.837 -6.244 342 HOE2 23Y 102 HOE2 EVG 2 69.619 46.177 -5.705 343 HCE3 23Y 102 HCE3 EVG 2 71.195 46.048 -7.278 344 HCE4 23Y 102 HCE4 EVG 2 72.315 44.624 -8.923 345 HCE6 23Y 102 HCE6 EVG 2 69.666 41.380 -7.873 346 HCF5 23Y 102 HCF5 EVG 2 77.122 37.716 -15.721 347 HCF1 23Y 102 HCF1 EVG 2 75.318 39.517 -15.294 348 HCF2 23Y 102 HCF2 EVG 2 77.389 41.346 -13.926 349 HOF2 23Y 102 HOF2 EVG 2 75.593 42.368 -14.855 350 HCF3 23Y 102 HCF3 EVG 2 77.569 40.176 -16.766 351 HOF3 23Y 102 HOF3 EVG 2 79.411 41.572 -15.121 352 HCF4 23Y 102 HCF4 EVG 2 79.304 39.395 -14.331 353 HOF4 23Y 102 HOF4 EVG 2 79.059 38.453 -17.004 354 HF61 23Y 102 HF61 EVG 2 79.031 36.371 -14.738 355 HF62 23Y 102 HF62 EVG 2 77.466 36.063 -13.980 356 HCF6 23Y 102 HOF6 EVG 2 78.089 37.670 -12.386
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