NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
599087 | 2n2x | 25615 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 2H0 GLY 1 1.240 0.460 0.905 2 H2 GLY 1 1H0 GLY 1 2.531 1.447 1.079 3 HA2 GLY 1 1HA GLY 1 3.583 0.540 -0.916 4 HA3 GLY 1 2HA GLY 1 3.194 -0.744 0.247 5 H ILE 2 H ILE 2 2.711 0.543 -2.868 6 HA ILE 2 HA ILE 2 0.274 -0.473 -3.669 7 HB ILE 2 HB ILE 2 1.721 1.088 -4.985 8 HG12 ILE 2 1HG1 ILE 2 1.367 0.012 -7.275 9 HG13 ILE 2 2HG1 ILE 2 0.781 -1.408 -6.430 10 HG21 ILE 2 1HG2 ILE 2 3.926 -0.131 -4.645 11 HG22 ILE 2 2HG2 ILE 2 3.387 -1.350 -5.804 12 HG23 ILE 2 3HG2 ILE 2 3.624 0.335 -6.325 13 HD11 ILE 2 3HD1 ILE 2 -0.431 1.365 -6.274 14 HD12 ILE 2 1HD1 ILE 2 -1.062 0.001 -7.211 15 HD13 ILE 2 2HD1 ILE 2 -1.048 -0.088 -5.436 16 H VAL 3 H VAL 3 3.288 -2.359 -3.496 17 HA VAL 3 HA VAL 3 2.211 -4.652 -4.865 18 HB VAL 3 HB VAL 3 4.490 -4.328 -2.865 19 HG11 VAL 3 1HG1 VAL 3 5.296 -6.567 -3.606 20 HG12 VAL 3 2HG1 VAL 3 3.774 -6.665 -2.717 21 HG13 VAL 3 3HG1 VAL 3 3.771 -6.807 -4.485 22 HG21 VAL 3 3HG2 VAL 3 4.482 -4.755 -5.891 23 HG22 VAL 3 1HG2 VAL 3 4.834 -3.217 -5.055 24 HG23 VAL 3 2HG2 VAL 3 5.934 -4.592 -4.867 25 H GLU 4 H GLU 4 2.451 -3.743 -1.409 26 HA GLU 4 HA GLU 4 1.295 -6.197 -0.429 27 HB2 GLU 4 1HB GLU 4 1.514 -3.470 0.860 28 HB3 GLU 4 2HB GLU 4 1.084 -4.963 1.695 29 HG2 GLU 4 1HG GLU 4 3.278 -5.936 1.119 30 HG3 GLU 4 2HG GLU 4 3.738 -4.443 0.288 31 HE2 GLU 4 HE2 GLU 4 5.153 -4.316 3.527 32 H GLN 5 H GLN 5 0.018 -3.217 -1.671 33 HA GLN 5 HA GLN 5 -2.647 -3.620 -0.555 34 HB2 GLN 5 1HB GLN 5 -1.527 -1.395 -1.050 35 HB3 GLN 5 2HB GLN 5 -1.773 -1.733 -2.761 36 HG2 GLN 5 1HG GLN 5 -3.706 -0.587 -2.461 37 HG3 GLN 5 2HG GLN 5 -4.318 -2.106 -1.812 38 HE21 GLN 5 2HE2 GLN 5 -3.817 -2.393 0.630 39 HE22 GLN 5 1HE2 GLN 5 -4.104 -0.980 1.605 40 H CYS 6 H CYS 6 -1.101 -4.083 -3.772 41 HA CYS 6 HA CYS 6 -3.724 -5.023 -4.828 42 HB2 CYS 6 1HB CYS 6 -1.262 -3.901 -6.142 43 HB3 CYS 6 2HB CYS 6 -2.593 -4.619 -7.032 44 H CYS 7 H CYS 7 -0.291 -6.086 -4.623 45 HA CYS 7 HA CYS 7 -0.865 -8.393 -6.331 46 HB2 CYS 7 1HB CYS 7 1.468 -7.918 -4.435 47 HB3 CYS 7 2HB CYS 7 1.373 -9.183 -5.662 48 H THR 8 H THR 8 -0.207 -7.746 -2.890 49 HA THR 8 HA THR 8 -0.867 -10.400 -2.020 50 HB THR 8 HB THR 8 -0.800 -7.807 -0.432 51 HG1 THR 8 HG1 THR 8 1.422 -8.906 -0.106 52 HG21 THR 8 1HG2 THR 8 -1.694 -9.651 0.890 53 HG22 THR 8 2HG2 THR 8 -0.001 -9.370 1.373 54 HG23 THR 8 3HG2 THR 8 -0.396 -10.738 0.298 55 H SER 9 H SER 9 -2.776 -7.323 -1.815 56 HA SER 9 HA SER 9 -5.123 -9.012 -1.088 57 HB2 SER 9 1HB SER 9 -5.977 -6.941 0.036 58 HB3 SER 9 2HB SER 9 -4.532 -7.638 0.763 59 HG SER 9 HG SER 9 -4.478 -5.492 -1.109 60 H ILE 10 H ILE 10 -7.197 -7.454 -1.470 61 HA ILE 10 HA ILE 10 -7.246 -7.065 -4.389 62 HB ILE 10 HB ILE 10 -9.417 -6.891 -2.259 63 HG12 ILE 10 1HG1 ILE 10 -8.615 -9.181 -2.607 64 HG13 ILE 10 2HG1 ILE 10 -10.321 -8.962 -3.045 65 HG21 ILE 10 1HG2 ILE 10 -10.082 -5.431 -4.101 66 HG22 ILE 10 2HG2 ILE 10 -9.670 -6.666 -5.306 67 HG23 ILE 10 3HG2 ILE 10 -11.062 -6.902 -4.218 68 HD11 ILE 10 3HD1 ILE 10 -9.075 -10.440 -4.604 69 HD12 ILE 10 1HD1 ILE 10 -9.734 -9.006 -5.419 70 HD13 ILE 10 2HD1 ILE 10 -8.014 -9.067 -5.048 71 H CYS 11 H CYS 11 -7.268 -5.085 -5.340 72 HA CYS 11 HA CYS 11 -7.737 -2.722 -3.592 73 HB2 CYS 11 1HB CYS 11 -5.898 -1.536 -4.602 74 HB3 CYS 11 2HB CYS 11 -5.300 -3.040 -3.894 75 H SER 12 H SER 12 -8.172 -0.772 -5.021 76 HA SER 12 HA SER 12 -9.605 -1.547 -7.535 77 HB2 SER 12 1HB SER 12 -11.200 -1.532 -5.555 78 HB3 SER 12 2HB SER 12 -10.804 0.191 -5.318 79 HG SER 12 HG SER 12 -12.724 -0.307 -6.622 80 H LEU 13 H LEU 13 -10.395 0.537 -8.640 81 HA LEU 13 HA LEU 13 -8.195 2.144 -9.283 82 HB2 LEU 13 1HB LEU 13 -9.735 3.533 -10.457 83 HB3 LEU 13 2HB LEU 13 -10.141 1.856 -10.698 84 HG LEU 13 HG LEU 13 -11.711 2.933 -8.517 85 HD11 LEU 13 1HD1 LEU 13 -12.977 4.644 -9.711 86 HD12 LEU 13 2HD1 LEU 13 -11.933 4.442 -11.140 87 HD13 LEU 13 3HD1 LEU 13 -11.270 5.102 -9.641 88 HD21 LEU 13 3HD2 LEU 13 -12.242 0.936 -9.904 89 HD22 LEU 13 1HD2 LEU 13 -12.519 2.030 -11.275 90 HD23 LEU 13 2HD2 LEU 13 -13.549 2.141 -9.857 91 H TYR 14 H TYR 14 -10.622 2.561 -6.763 92 HA TYR 14 HA TYR 14 -10.246 5.289 -6.087 93 HB2 TYR 14 1HB TYR 14 -12.006 3.722 -5.241 94 HB3 TYR 14 2HB TYR 14 -10.781 2.894 -4.257 95 HD1 TYR 14 HD2 TYR 14 -12.826 5.961 -4.639 96 HD2 TYR 14 HD1 TYR 14 -9.856 3.988 -2.242 97 HE1 TYR 14 HE2 TYR 14 -13.210 7.597 -2.797 98 HE2 TYR 14 HE1 TYR 14 -10.237 5.612 -0.415 99 HH TYR 14 HH TYR 14 -11.361 7.476 0.266 100 H GLN 15 H GLN 15 -8.436 2.388 -4.962 101 HA GLN 15 HA GLN 15 -6.684 4.059 -3.317 102 HB2 GLN 15 1HB GLN 15 -6.885 1.113 -3.891 103 HB3 GLN 15 2HB GLN 15 -5.328 1.771 -3.360 104 HG2 GLN 15 1HG GLN 15 -7.957 2.069 -1.854 105 HG3 GLN 15 2HG GLN 15 -6.666 0.915 -1.457 106 HE21 GLN 15 2HE2 GLN 15 -7.612 2.740 0.419 107 HE22 GLN 15 1HE2 GLN 15 -6.369 3.932 0.739 108 H LEU 16 H LEU 16 -6.575 2.438 -6.491 109 HA LEU 16 HA LEU 16 -3.819 2.727 -7.013 110 HB2 LEU 16 1HB LEU 16 -6.274 2.540 -8.634 111 HB3 LEU 16 2HB LEU 16 -4.854 3.133 -9.462 112 HG LEU 16 HG LEU 16 -5.435 0.683 -9.694 113 HD11 LEU 16 1HD1 LEU 16 -2.654 1.361 -8.724 114 HD12 LEU 16 2HD1 LEU 16 -3.301 1.565 -10.365 115 HD13 LEU 16 3HD1 LEU 16 -3.121 -0.065 -9.686 116 HD21 LEU 16 3HD2 LEU 16 -5.887 0.200 -7.322 117 HD22 LEU 16 1HD2 LEU 16 -4.161 0.404 -6.968 118 HD23 LEU 16 2HD2 LEU 16 -4.697 -0.894 -8.076 119 H GLU 17 H GLU 17 -6.467 5.094 -7.340 120 HA GLU 17 HA GLU 17 -4.962 7.106 -8.673 121 HB2 GLU 17 1HB GLU 17 -7.390 7.175 -6.873 122 HB3 GLU 17 2HB GLU 17 -6.660 8.667 -7.514 123 HG2 GLU 17 1HG GLU 17 -6.917 7.821 -9.798 124 HG3 GLU 17 2HG GLU 17 -7.705 6.359 -9.172 125 HE2 GLU 17 HE2 GLU 17 -7.873 9.692 -8.837 126 H ASN 18 H ASN 18 -4.910 6.155 -5.257 127 HA ASN 18 HA ASN 18 -3.802 8.710 -4.381 128 HB2 ASN 18 1HB ASN 18 -3.709 5.940 -3.144 129 HB3 ASN 18 2HB ASN 18 -3.093 7.402 -2.362 130 HD21 ASN 18 2HD2 ASN 18 -5.385 5.427 -1.875 131 HD22 ASN 18 1HD2 ASN 18 -6.756 6.494 -1.617 132 H TYR 19 H TYR 19 -2.535 5.967 -6.127 133 HA TYR 19 HA TYR 19 0.257 6.607 -5.358 134 HB2 TYR 19 1HB TYR 19 -0.931 4.595 -7.286 135 HB3 TYR 19 2HB TYR 19 0.784 4.705 -6.819 136 HD1 TYR 19 HD1 TYR 19 1.406 4.226 -4.332 137 HD2 TYR 19 HD2 TYR 19 -2.475 3.480 -5.946 138 HE1 TYR 19 HE1 TYR 19 0.881 2.714 -2.411 139 HE2 TYR 19 HE2 TYR 19 -3.014 1.965 -4.054 140 HH TYR 19 HH TYR 19 -0.689 1.430 -1.376 141 H CYS 20 H CYS 20 -2.012 7.946 -7.243 142 HA CYS 20 HA CYS 20 -0.140 8.653 -9.484 143 HB2 CYS 20 1HB CYS 20 -2.339 7.763 -10.169 144 HB3 CYS 20 2HB CYS 20 -3.154 8.946 -9.163 145 H ASN 21 H ASN 21 -2.633 9.943 -7.265 146 HA ASN 21 HA ASN 21 -2.989 11.988 -6.326 147 HB2 ASN 21 1HB ASN 21 -1.215 10.942 -4.909 148 HB3 ASN 21 2HB ASN 21 0.001 11.858 -5.789 149 HD21 ASN 21 2HD2 ASN 21 0.675 13.071 -4.002 150 HD22 ASN 21 1HD2 ASN 21 -0.373 14.308 -3.306 151 HXT ASN 21 H02 ASN 21 -2.425 14.120 -8.907 152 H1 PHE 1 2H0 PHE 1 -12.739 -1.612 -16.130 153 H2 PHE 1 1H0 PHE 1 -13.226 -0.251 -15.348 154 HA PHE 1 HA PHE 1 -10.816 -1.822 -14.645 155 HB2 PHE 1 1HB PHE 1 -10.879 0.765 -14.378 156 HB3 PHE 1 2HB PHE 1 -12.084 0.492 -13.137 157 HD1 PHE 1 HD1 PHE 1 -11.354 -1.291 -11.250 158 HD2 PHE 1 HD2 PHE 1 -8.638 0.906 -13.769 159 HE1 PHE 1 HE1 PHE 1 -9.521 -1.670 -9.636 160 HE2 PHE 1 HE2 PHE 1 -6.824 0.559 -12.119 161 HZ PHE 1 HZ PHE 1 -7.267 -0.755 -10.053 162 H VAL 2 H VAL 2 -10.997 -3.380 -13.176 163 HA VAL 2 HA VAL 2 -13.395 -3.432 -11.422 164 HB VAL 2 HB VAL 2 -13.829 -5.039 -13.330 165 HG11 VAL 2 1HG1 VAL 2 -11.419 -5.692 -13.703 166 HG12 VAL 2 2HG1 VAL 2 -11.489 -6.641 -12.214 167 HG13 VAL 2 3HG1 VAL 2 -12.527 -7.073 -13.591 168 HG21 VAL 2 3HG2 VAL 2 -14.764 -5.395 -11.056 169 HG22 VAL 2 1HG2 VAL 2 -14.535 -6.910 -11.975 170 HG23 VAL 2 2HG2 VAL 2 -13.380 -6.462 -10.681 171 H ASN 3 H ASN 3 -12.977 -4.288 -9.405 172 HA ASN 3 HA ASN 3 -10.207 -4.023 -8.560 173 HB2 ASN 3 1HB ASN 3 -11.138 -4.342 -6.309 174 HB3 ASN 3 2HB ASN 3 -11.986 -3.072 -7.209 175 HD21 ASN 3 2HD2 ASN 3 -12.375 -5.662 -5.261 176 HD22 ASN 3 1HD2 ASN 3 -14.024 -6.053 -5.663 177 H GLN 4 H GLN 4 -8.757 -5.597 -8.283 178 HA GLN 4 HA GLN 4 -9.460 -8.362 -7.622 179 HB2 GLN 4 1HB GLN 4 -8.636 -9.340 -9.714 180 HB3 GLN 4 2HB GLN 4 -10.034 -8.330 -10.043 181 HG2 GLN 4 1HG GLN 4 -8.520 -6.483 -10.766 182 HG3 GLN 4 2HG GLN 4 -7.139 -7.571 -10.532 183 HE21 GLN 4 2HE2 GLN 4 -9.066 -6.303 -12.805 184 HE22 GLN 4 1HE2 GLN 4 -8.960 -7.583 -14.009 185 H HIS 5 H HIS 5 -7.233 -9.653 -7.973 186 HA HIS 5 HA HIS 5 -5.156 -8.086 -6.645 187 HB2 HIS 5 1HB HIS 5 -5.194 -10.899 -7.846 188 HB3 HIS 5 2HB HIS 5 -3.789 -10.189 -7.018 189 HD1 HIS 5 HD1 HIS 5 -4.042 -9.656 -4.415 190 HD2 HIS 5 HD2 HIS 5 -7.129 -11.911 -6.125 191 HE1 HIS 5 HE1 HIS 5 -5.382 -10.676 -2.488 192 HE2 HIS 5 HE2 HIS 5 -7.203 -12.067 -3.533 193 H LEU 6 H LEU 6 -3.424 -7.122 -7.633 194 HA LEU 6 HA LEU 6 -3.009 -7.549 -10.560 195 HB2 LEU 6 1HB LEU 6 -3.459 -4.910 -9.101 196 HB3 LEU 6 2HB LEU 6 -2.707 -5.004 -10.699 197 HG LEU 6 HG LEU 6 -5.414 -6.179 -10.202 198 HD11 LEU 6 1HD1 LEU 6 -6.404 -4.011 -10.941 199 HD12 LEU 6 2HD1 LEU 6 -4.786 -3.291 -10.810 200 HD13 LEU 6 3HD1 LEU 6 -5.579 -3.932 -9.367 201 HD21 LEU 6 3HD2 LEU 6 -5.705 -5.774 -12.605 202 HD22 LEU 6 1HD2 LEU 6 -4.239 -6.716 -12.309 203 HD23 LEU 6 2HD2 LEU 6 -4.118 -4.964 -12.666 204 H CYS 7 H CYS 7 -0.867 -7.474 -11.121 205 HA CYS 7 HA CYS 7 1.054 -6.350 -9.206 206 HB2 CYS 7 1HB CYS 7 0.426 -8.900 -8.703 207 HB3 CYS 7 2HB CYS 7 1.590 -9.172 -10.027 208 H GLY 8 H GLY 8 3.298 -6.485 -10.094 209 HA2 GLY 8 1HA GLY 8 4.754 -5.913 -11.803 210 HA3 GLY 8 2HA GLY 8 3.998 -7.268 -12.644 211 H SER 9 H SER 9 3.921 -6.606 -14.680 212 HA SER 9 HA SER 9 3.416 -3.955 -15.552 213 HB2 SER 9 1HB SER 9 2.911 -5.205 -17.739 214 HB3 SER 9 2HB SER 9 4.492 -5.520 -17.007 215 HG SER 9 HG SER 9 3.405 -7.437 -17.630 216 H HIS 10 H HIS 10 1.198 -6.598 -14.697 217 HA HIS 10 HA HIS 10 -1.117 -5.411 -15.933 218 HB2 HIS 10 1HB HIS 10 -0.702 -7.803 -14.890 219 HB3 HIS 10 2HB HIS 10 -1.377 -7.018 -13.443 220 HD1 HIS 10 HD1 HIS 10 -3.309 -9.017 -14.161 221 HD2 HIS 10 HD2 HIS 10 -3.068 -5.481 -16.387 222 HE1 HIS 10 HE1 HIS 10 -5.523 -8.759 -15.402 223 HE2 HIS 10 HE2 HIS 10 -5.350 -6.639 -16.734 224 H LEU 11 H LEU 11 0.461 -5.082 -12.765 225 HA LEU 11 HA LEU 11 -1.517 -3.343 -11.573 226 HB2 LEU 11 1HB LEU 11 0.949 -4.449 -10.786 227 HB3 LEU 11 2HB LEU 11 1.235 -2.726 -10.794 228 HG LEU 11 HG LEU 11 -0.900 -4.188 -9.222 229 HD11 LEU 11 1HD1 LEU 11 0.473 -3.495 -7.296 230 HD12 LEU 11 2HD1 LEU 11 1.634 -2.706 -8.386 231 HD13 LEU 11 3HD1 LEU 11 1.419 -4.480 -8.411 232 HD21 LEU 11 3HD2 LEU 11 -0.256 -1.229 -9.374 233 HD22 LEU 11 1HD2 LEU 11 -1.286 -1.988 -8.128 234 HD23 LEU 11 2HD2 LEU 11 -1.770 -2.028 -9.830 235 H VAL 12 H VAL 12 1.522 -2.711 -13.440 236 HA VAL 12 HA VAL 12 1.309 0.131 -13.325 237 HB VAL 12 HB VAL 12 2.565 -1.587 -15.519 238 HG11 VAL 12 1HG1 VAL 12 2.232 0.737 -16.287 239 HG12 VAL 12 2HG1 VAL 12 3.007 1.347 -14.796 240 HG13 VAL 12 3HG1 VAL 12 3.945 0.437 -15.978 241 HG21 VAL 12 3HG2 VAL 12 3.802 -0.312 -13.027 242 HG22 VAL 12 1HG2 VAL 12 3.519 -2.039 -13.260 243 HG23 VAL 12 2HG2 VAL 12 4.683 -1.206 -14.296 244 H GLU 13 H GLU 13 0.002 -2.221 -15.661 245 HA GLU 13 HA GLU 13 -1.196 -0.403 -17.478 246 HB2 GLU 13 1HB GLU 13 -1.796 -3.208 -16.607 247 HB3 GLU 13 2HB GLU 13 -2.888 -2.388 -17.709 248 HG2 GLU 13 1HG GLU 13 -1.201 -2.151 -19.356 249 HG3 GLU 13 2HG GLU 13 0.080 -2.688 -18.238 250 HE2 GLU 13 HE2 GLU 13 -0.780 -5.433 -20.328 251 H ALA 14 H ALA 14 -2.509 -1.834 -14.454 252 HA ALA 14 HA ALA 14 -5.091 -0.603 -14.761 253 HB1 ALA 14 3HB ALA 14 -4.659 -2.437 -13.196 254 HB2 ALA 14 1HB ALA 14 -3.600 -1.394 -12.231 255 HB3 ALA 14 2HB ALA 14 -5.337 -1.027 -12.358 256 H LEU 15 H LEU 15 -2.112 0.487 -13.113 257 HA LEU 15 HA LEU 15 -3.192 2.941 -12.102 258 HB2 LEU 15 1HB LEU 15 -0.800 1.551 -11.998 259 HB3 LEU 15 2HB LEU 15 -0.361 2.967 -12.920 260 HG LEU 15 HG LEU 15 -1.677 3.000 -10.195 261 HD11 LEU 15 1HD1 LEU 15 1.209 3.490 -10.987 262 HD12 LEU 15 2HD1 LEU 15 0.583 2.061 -10.129 263 HD13 LEU 15 3HD1 LEU 15 0.524 3.648 -9.345 264 HD21 LEU 15 3HD2 LEU 15 -0.398 5.309 -11.689 265 HD22 LEU 15 1HD2 LEU 15 -1.111 5.332 -10.060 266 HD23 LEU 15 2HD2 LEU 15 -2.156 5.054 -11.472 267 H TYR 16 H TYR 16 -1.687 2.077 -15.230 268 HA TYR 16 HA TYR 16 -1.673 4.740 -16.277 269 HB2 TYR 16 1HB TYR 16 -0.346 3.053 -17.371 270 HB3 TYR 16 2HB TYR 16 -1.774 2.033 -17.607 271 HD1 TYR 16 HD2 TYR 16 -0.263 5.287 -18.670 272 HD2 TYR 16 HD1 TYR 16 -3.223 2.248 -19.492 273 HE1 TYR 16 HE2 TYR 16 -0.759 6.348 -20.880 274 HE2 TYR 16 HE1 TYR 16 -3.692 3.326 -21.690 275 HH TYR 16 HH TYR 16 -1.961 6.193 -22.841 276 H LEU 17 H LEU 17 -4.141 2.107 -16.445 277 HA LEU 17 HA LEU 17 -5.824 3.563 -18.252 278 HB2 LEU 17 1HB LEU 17 -6.342 1.341 -16.265 279 HB3 LEU 17 2HB LEU 17 -7.594 1.969 -17.346 280 HG LEU 17 HG LEU 17 -4.960 0.918 -18.395 281 HD11 LEU 17 1HD1 LEU 17 -6.047 -1.228 -18.824 282 HD12 LEU 17 2HD1 LEU 17 -7.505 -0.647 -17.979 283 HD13 LEU 17 3HD1 LEU 17 -5.979 -0.857 -17.082 284 HD21 LEU 17 3HD2 LEU 17 -6.200 2.253 -20.005 285 HD22 LEU 17 1HD2 LEU 17 -7.665 1.280 -19.711 286 HD23 LEU 17 2HD2 LEU 17 -6.249 0.545 -20.479 287 H VAL 18 H VAL 18 -5.726 3.372 -14.689 288 HA VAL 18 HA VAL 18 -8.078 5.060 -14.533 289 HB VAL 18 HB VAL 18 -7.638 3.412 -12.769 290 HG11 VAL 18 1HG1 VAL 18 -5.388 5.128 -11.699 291 HG12 VAL 18 2HG1 VAL 18 -5.856 3.472 -11.276 292 HG13 VAL 18 3HG1 VAL 18 -5.081 3.792 -12.828 293 HG21 VAL 18 3HG2 VAL 18 -9.007 5.371 -12.213 294 HG22 VAL 18 1HG2 VAL 18 -8.055 4.832 -10.806 295 HG23 VAL 18 2HG2 VAL 18 -7.530 6.242 -11.744 296 H CYS 19 H CYS 19 -4.578 5.696 -14.348 297 HA CYS 19 HA CYS 19 -5.318 8.601 -14.152 298 HB2 CYS 19 1HB CYS 19 -4.433 7.211 -12.045 299 HB3 CYS 19 2HB CYS 19 -2.879 7.679 -12.768 300 H GLY 20 H GLY 20 -3.007 6.295 -15.498 301 HA2 GLY 20 1HA GLY 20 -1.125 8.283 -16.339 302 HA3 GLY 20 2HA GLY 20 -1.348 6.690 -17.096 303 H GLU 21 H GLU 21 -4.145 7.078 -17.681 304 HA GLU 21 HA GLU 21 -3.967 8.601 -20.162 305 HB2 GLU 21 1HB GLU 21 -6.291 7.355 -18.664 306 HB3 GLU 21 2HB GLU 21 -6.455 8.189 -20.203 307 HG2 GLU 21 1HG GLU 21 -4.736 6.568 -21.148 308 HG3 GLU 21 2HG GLU 21 -4.927 5.640 -19.645 309 HE2 GLU 21 HE2 GLU 21 -6.446 6.864 -22.326 310 H ARG 22 H ARG 22 -4.291 9.751 -17.005 311 HA ARG 22 HA ARG 22 -5.872 12.150 -17.897 312 HB2 ARG 22 1HB ARG 22 -5.192 10.951 -15.198 313 HB3 ARG 22 2HB ARG 22 -5.429 12.689 -15.342 314 HG2 ARG 22 1HG ARG 22 -7.499 11.901 -14.669 315 HG3 ARG 22 2HG ARG 22 -7.695 12.170 -16.401 316 HD2 ARG 22 1HD ARG 22 -6.768 9.459 -15.669 317 HD3 ARG 22 2HD ARG 22 -8.383 9.889 -15.071 318 HE ARG 22 HE ARG 22 -8.269 10.647 -17.780 319 HH11 ARG 22 1HH1 ARG 22 -8.133 7.658 -15.905 320 HH12 ARG 22 2HH1 ARG 22 -8.806 6.697 -17.194 321 HH21 ARG 22 1HH2 ARG 22 -9.201 9.386 -19.360 322 HH22 ARG 22 2HH2 ARG 22 -9.427 7.682 -19.123 323 H GLY 23 H GLY 23 -2.804 10.978 -17.990 324 HA2 GLY 23 1HA GLY 23 -0.889 12.180 -18.554 325 HA3 GLY 23 2HA GLY 23 -1.654 13.684 -18.003 326 H GLY 24 H GLY 24 -2.138 11.384 -15.622 327 HA2 GLY 24 1HA GLY 24 0.072 12.524 -14.003 328 HA3 GLY 24 2HA GLY 24 -1.383 11.699 -13.405 329 H PHE 25 H PHE 25 1.691 11.214 -15.169 330 HA PHE 25 HA PHE 25 1.838 8.554 -13.869 331 HB2 PHE 25 1HB PHE 25 0.890 8.728 -16.428 332 HB3 PHE 25 2HB PHE 25 2.613 8.579 -16.728 333 HD1 PHE 25 HD2 PHE 25 0.181 7.084 -14.286 334 HD2 PHE 25 HD1 PHE 25 3.243 6.381 -17.222 335 HE1 PHE 25 HE2 PHE 25 -0.001 4.651 -13.877 336 HE2 PHE 25 HE1 PHE 25 3.055 3.915 -16.808 337 HZ PHE 25 HZ PHE 25 1.450 3.060 -15.108 338 H TYR 26 H TYR 26 3.859 7.630 -13.767 339 HA TYR 26 HA TYR 26 6.119 9.577 -14.076 340 HB2 TYR 26 1HB TYR 26 7.200 8.229 -12.290 341 HB3 TYR 26 2HB TYR 26 5.627 8.887 -11.767 342 HD1 TYR 26 HD2 TYR 26 3.662 7.384 -11.431 343 HD2 TYR 26 HD1 TYR 26 7.495 5.830 -12.640 344 HE1 TYR 26 HE2 TYR 26 2.896 5.068 -10.910 345 HE2 TYR 26 HE1 TYR 26 6.714 3.543 -12.101 346 HH TYR 26 HH TYR 26 5.013 2.229 -11.319 347 H NVA 27 H ARX 27 4.730 7.022 -15.496 348 HA NVA 27 HA ARX 27 5.277 5.153 -16.684 349 HB2 NVA 27 1HB ARX 27 5.440 7.411 -18.083 350 HB3 NVA 27 2HB ARX 27 7.054 6.794 -18.426 351 HG2 NVA 27 1HG ARX 27 5.520 4.475 -18.814 352 HG3 NVA 27 2HG ARX 27 4.320 5.698 -19.200 353 HD2 NVA 27 1HD ARX 27 5.333 5.079 -21.235 354 HD3 NVA 27 2HD ARX 27 6.008 6.654 -20.915 355 HA PRO 28 HA PRO 28 9.254 3.587 -15.053 356 HB2 PRO 28 1HB PRO 28 8.437 1.080 -14.373 357 HB3 PRO 28 2HB PRO 28 7.956 2.505 -13.414 358 HG2 PRO 28 1HG PRO 28 6.394 1.081 -15.564 359 HG3 PRO 28 2HG PRO 28 5.869 1.535 -13.914 360 HD2 PRO 28 1HD PRO 28 5.324 3.045 -16.137 361 HD3 PRO 28 2HD PRO 28 5.558 3.758 -14.497 362 H HIX 29 H HIX 29 9.576 3.950 -17.526 363 HA HIX 29 HA HIX 29 9.245 1.872 -19.418 364 HB1 HIX 29 1HB HIX 29 11.058 4.311 -19.394 365 HB2 HIX 29 2HB HIX 29 11.144 3.129 -20.712 366 HD2 HIX 29 HD2 HIX 29 7.963 4.698 -18.833 367 HD1 HIX 29 HD1 HIX 29 9.481 3.970 -22.658 368 H THR 30 H THR 30 10.064 0.087 -19.732 369 HA THR 30 HA THR 30 12.816 -0.677 -18.984 370 HB THR 30 HB THR 30 11.602 -2.848 -17.980 371 HG1 THR 30 HG1 THR 30 9.775 -0.700 -17.375 372 HG21 THR 30 1HG2 THR 30 11.760 -0.263 -16.325 373 HG22 THR 30 2HG2 THR 30 13.162 -1.299 -16.662 374 HG23 THR 30 3HG2 THR 30 11.792 -1.914 -15.708 375 HXT THR 30 H02 THR 30 12.608 -2.610 -21.659 Start of MODEL 2 1 H1 GLY 1 2H0 GLY 1 2.503 -1.324 1.383 2 H2 GLY 1 1H0 GLY 1 2.912 0.191 1.838 3 HA2 GLY 1 1HA GLY 1 2.484 1.092 -0.345 4 HA3 GLY 1 2HA GLY 1 3.626 -0.274 -0.457 5 H ILE 2 H ILE 2 2.330 0.705 -2.633 6 HA ILE 2 HA ILE 2 -0.120 -0.364 -3.402 7 HB ILE 2 HB ILE 2 1.133 1.270 -4.763 8 HG12 ILE 2 1HG1 ILE 2 1.021 0.055 -7.061 9 HG13 ILE 2 2HG1 ILE 2 0.444 -1.331 -6.159 10 HG21 ILE 2 1HG2 ILE 2 3.114 0.711 -6.091 11 HG22 ILE 2 2HG2 ILE 2 3.440 0.362 -4.388 12 HG23 ILE 2 3HG2 ILE 2 3.079 -0.973 -5.502 13 HD11 ILE 2 3HD1 ILE 2 -1.403 0.094 -5.266 14 HD12 ILE 2 1HD1 ILE 2 -0.832 1.377 -6.382 15 HD13 ILE 2 2HD1 ILE 2 -1.428 -0.158 -7.020 16 H VAL 3 H VAL 3 3.016 -2.090 -3.433 17 HA VAL 3 HA VAL 3 2.048 -4.367 -4.871 18 HB VAL 3 HB VAL 3 4.350 -4.112 -2.877 19 HG11 VAL 3 1HG1 VAL 3 3.746 -6.330 -4.889 20 HG12 VAL 3 2HG1 VAL 3 5.260 -6.165 -3.979 21 HG13 VAL 3 3HG1 VAL 3 3.748 -6.481 -3.120 22 HG21 VAL 3 3HG2 VAL 3 5.765 -4.002 -4.939 23 HG22 VAL 3 1HG2 VAL 3 4.273 -3.935 -5.917 24 HG23 VAL 3 2HG2 VAL 3 4.659 -2.624 -4.784 25 H GLU 4 H GLU 4 2.223 -3.645 -1.341 26 HA GLU 4 HA GLU 4 1.222 -6.271 -0.609 27 HB2 GLU 4 1HB GLU 4 1.492 -3.677 0.931 28 HB3 GLU 4 2HB GLU 4 0.970 -5.212 1.645 29 HG2 GLU 4 1HG GLU 4 3.101 -6.238 1.157 30 HG3 GLU 4 2HG GLU 4 3.615 -4.837 0.200 31 HE2 GLU 4 HE2 GLU 4 2.855 -5.963 3.239 32 H GLN 5 H GLN 5 -0.279 -3.364 -1.707 33 HA GLN 5 HA GLN 5 -2.868 -4.088 -0.471 34 HB2 GLN 5 1HB GLN 5 -2.001 -1.751 -2.191 35 HB3 GLN 5 2HB GLN 5 -3.650 -2.001 -1.613 36 HG2 GLN 5 1HG GLN 5 -1.212 -1.653 0.150 37 HG3 GLN 5 2HG GLN 5 -2.413 -0.419 -0.189 38 HE21 GLN 5 2HE2 GLN 5 -1.460 -2.211 2.220 39 HE22 GLN 5 1HE2 GLN 5 -2.978 -2.609 2.976 40 H CYS 6 H CYS 6 -1.269 -4.185 -3.632 41 HA CYS 6 HA CYS 6 -3.852 -5.104 -4.834 42 HB2 CYS 6 1HB CYS 6 -1.295 -4.049 -6.052 43 HB3 CYS 6 2HB CYS 6 -2.667 -4.656 -6.979 44 H CYS 7 H CYS 7 -0.377 -6.057 -4.600 45 HA CYS 7 HA CYS 7 -0.897 -8.398 -6.292 46 HB2 CYS 7 1HB CYS 7 1.296 -7.055 -6.078 47 HB3 CYS 7 2HB CYS 7 1.539 -7.908 -4.561 48 H THR 8 H THR 8 -0.869 -7.557 -2.900 49 HA THR 8 HA THR 8 -1.122 -10.407 -2.104 50 HB THR 8 HB THR 8 -0.906 -7.916 -0.362 51 HG1 THR 8 HG1 THR 8 1.115 -9.731 -1.197 52 HG21 THR 8 1HG2 THR 8 -1.751 -9.839 0.886 53 HG22 THR 8 2HG2 THR 8 -0.053 -9.565 1.326 54 HG23 THR 8 3HG2 THR 8 -0.480 -10.875 0.203 55 H SER 9 H SER 9 -2.889 -7.265 -1.722 56 HA SER 9 HA SER 9 -5.289 -8.859 -0.920 57 HB2 SER 9 1HB SER 9 -4.695 -5.940 -0.451 58 HB3 SER 9 2HB SER 9 -6.068 -6.863 0.189 59 HG SER 9 HG SER 9 -4.112 -6.529 1.572 60 H ILE 10 H ILE 10 -7.341 -7.249 -1.413 61 HA ILE 10 HA ILE 10 -7.328 -6.980 -4.379 62 HB ILE 10 HB ILE 10 -9.554 -6.649 -2.292 63 HG12 ILE 10 1HG1 ILE 10 -8.778 -8.992 -2.572 64 HG13 ILE 10 2HG1 ILE 10 -10.455 -8.757 -3.043 65 HG21 ILE 10 1HG2 ILE 10 -10.140 -5.243 -4.144 66 HG22 ILE 10 2HG2 ILE 10 -9.655 -6.470 -5.335 67 HG23 ILE 10 3HG2 ILE 10 -11.103 -6.718 -4.331 68 HD11 ILE 10 3HD1 ILE 10 -9.868 -8.815 -5.419 69 HD12 ILE 10 1HD1 ILE 10 -8.137 -8.937 -5.010 70 HD13 ILE 10 2HD1 ILE 10 -9.249 -10.255 -4.597 71 H CYS 11 H CYS 11 -7.223 -5.012 -5.369 72 HA CYS 11 HA CYS 11 -7.770 -2.610 -3.688 73 HB2 CYS 11 1HB CYS 11 -5.893 -1.433 -4.598 74 HB3 CYS 11 2HB CYS 11 -5.292 -2.956 -3.919 75 H SER 12 H SER 12 -8.270 -0.719 -5.036 76 HA SER 12 HA SER 12 -9.512 -1.497 -7.641 77 HB2 SER 12 1HB SER 12 -11.138 -1.455 -5.681 78 HB3 SER 12 2HB SER 12 -10.789 0.279 -5.528 79 HG SER 12 HG SER 12 -12.649 -0.161 -6.821 80 H LEU 13 H LEU 13 -10.311 0.632 -8.713 81 HA LEU 13 HA LEU 13 -8.084 2.235 -9.330 82 HB2 LEU 13 1HB LEU 13 -9.624 3.607 -10.541 83 HB3 LEU 13 2HB LEU 13 -10.018 1.933 -10.788 84 HG LEU 13 HG LEU 13 -11.609 3.256 -8.659 85 HD11 LEU 13 1HD1 LEU 13 -11.315 5.148 -10.172 86 HD12 LEU 13 2HD1 LEU 13 -12.973 4.528 -10.245 87 HD13 LEU 13 3HD1 LEU 13 -11.839 4.148 -11.556 88 HD21 LEU 13 3HD2 LEU 13 -12.092 0.999 -9.560 89 HD22 LEU 13 1HD2 LEU 13 -12.367 1.704 -11.165 90 HD23 LEU 13 2HD2 LEU 13 -13.437 2.116 -9.809 91 H TYR 14 H TYR 14 -10.517 2.600 -6.836 92 HA TYR 14 HA TYR 14 -10.161 5.323 -6.177 93 HB2 TYR 14 1HB TYR 14 -11.985 3.823 -5.381 94 HB3 TYR 14 2HB TYR 14 -10.820 2.954 -4.372 95 HD1 TYR 14 HD2 TYR 14 -12.601 6.198 -4.837 96 HD2 TYR 14 HD1 TYR 14 -10.083 3.844 -2.241 97 HE1 TYR 14 HE2 TYR 14 -13.005 7.809 -2.962 98 HE2 TYR 14 HE1 TYR 14 -10.498 5.475 -0.380 99 HH TYR 14 HH TYR 14 -12.576 8.331 -0.778 100 H GLN 15 H GLN 15 -8.555 2.392 -4.768 101 HA GLN 15 HA GLN 15 -6.827 4.002 -3.098 102 HB2 GLN 15 1HB GLN 15 -6.558 1.139 -4.113 103 HB3 GLN 15 2HB GLN 15 -5.468 1.910 -2.954 104 HG2 GLN 15 1HG GLN 15 -6.799 0.986 -1.402 105 HG3 GLN 15 2HG GLN 15 -7.832 2.385 -1.724 106 HE21 GLN 15 2HE2 GLN 15 -8.411 -0.435 -0.832 107 HE22 GLN 15 1HE2 GLN 15 -9.606 -1.011 -1.970 108 H LEU 16 H LEU 16 -6.581 2.525 -6.358 109 HA LEU 16 HA LEU 16 -3.860 3.009 -6.768 110 HB2 LEU 16 1HB LEU 16 -6.168 2.401 -8.379 111 HB3 LEU 16 2HB LEU 16 -4.961 3.359 -9.253 112 HG LEU 16 HG LEU 16 -3.228 1.696 -8.552 113 HD11 LEU 16 1HD1 LEU 16 -5.629 0.093 -7.593 114 HD12 LEU 16 2HD1 LEU 16 -4.285 0.696 -6.597 115 HD13 LEU 16 3HD1 LEU 16 -3.987 -0.548 -7.814 116 HD21 LEU 16 3HD2 LEU 16 -4.332 1.614 -10.741 117 HD22 LEU 16 1HD2 LEU 16 -5.588 0.553 -10.074 118 HD23 LEU 16 2HD2 LEU 16 -3.895 0.001 -10.166 119 H GLU 17 H GLU 17 -6.518 5.322 -7.191 120 HA GLU 17 HA GLU 17 -4.969 7.326 -8.522 121 HB2 GLU 17 1HB GLU 17 -7.356 7.458 -6.670 122 HB3 GLU 17 2HB GLU 17 -6.629 8.907 -7.374 123 HG2 GLU 17 1HG GLU 17 -7.026 8.049 -9.625 124 HG3 GLU 17 2HG GLU 17 -7.698 6.567 -8.957 125 HE2 GLU 17 HE2 GLU 17 -8.336 9.335 -10.147 126 H ASN 18 H ASN 18 -5.118 6.408 -5.078 127 HA ASN 18 HA ASN 18 -3.770 8.830 -4.184 128 HB2 ASN 18 1HB ASN 18 -4.227 6.131 -2.883 129 HB3 ASN 18 2HB ASN 18 -3.405 7.469 -2.089 130 HD21 ASN 18 2HD2 ASN 18 -6.443 6.129 -2.986 131 HD22 ASN 18 1HD2 ASN 18 -7.431 7.405 -2.326 132 H TYR 19 H TYR 19 -2.715 5.973 -5.799 133 HA TYR 19 HA TYR 19 0.076 6.372 -4.830 134 HB2 TYR 19 1HB TYR 19 -1.124 4.279 -6.676 135 HB3 TYR 19 2HB TYR 19 0.540 4.290 -6.075 136 HD1 TYR 19 HD2 TYR 19 0.584 4.624 -3.306 137 HD2 TYR 19 HD1 TYR 19 -2.505 2.755 -5.614 138 HE1 TYR 19 HE2 TYR 19 -0.170 3.365 -1.291 139 HE2 TYR 19 HE1 TYR 19 -3.265 1.505 -3.642 140 HH TYR 19 HH TYR 19 -1.714 1.948 -0.430 141 H CYS 20 H CYS 20 -1.940 7.739 -7.024 142 HA CYS 20 HA CYS 20 0.121 7.914 -9.174 143 HB2 CYS 20 1HB CYS 20 -2.263 7.384 -9.743 144 HB3 CYS 20 2HB CYS 20 -2.730 8.966 -9.093 145 H ASN 21 H ASN 21 -1.836 9.844 -6.926 146 HA ASN 21 HA ASN 21 -1.699 11.954 -6.108 147 HB2 ASN 21 1HB ASN 21 0.530 11.119 -5.290 148 HB3 ASN 21 2HB ASN 21 1.292 11.767 -6.735 149 HD21 ASN 21 2HD2 ASN 21 2.471 12.797 -4.807 150 HD22 ASN 21 1HD2 ASN 21 1.875 14.368 -4.346 151 HXT ASN 21 H02 ASN 21 -0.371 13.939 -9.105 152 H1 PHE 1 2H0 PHE 1 -12.567 -0.382 -16.046 153 H2 PHE 1 1H0 PHE 1 -13.507 -1.708 -15.775 154 HA PHE 1 HA PHE 1 -11.334 -1.922 -14.623 155 HB2 PHE 1 1HB PHE 1 -11.261 0.633 -14.352 156 HB3 PHE 1 2HB PHE 1 -12.353 0.430 -12.989 157 HD1 PHE 1 HD2 PHE 1 -11.498 -1.388 -11.145 158 HD2 PHE 1 HD1 PHE 1 -8.971 0.739 -13.933 159 HE1 PHE 1 HE2 PHE 1 -9.546 -1.815 -9.706 160 HE2 PHE 1 HE1 PHE 1 -7.034 0.345 -12.444 161 HZ PHE 1 HZ PHE 1 -7.321 -0.956 -10.330 162 H VAL 2 H VAL 2 -11.475 -3.667 -13.472 163 HA VAL 2 HA VAL 2 -13.645 -3.830 -11.417 164 HB VAL 2 HB VAL 2 -13.953 -5.491 -13.241 165 HG11 VAL 2 1HG1 VAL 2 -11.581 -5.779 -13.886 166 HG12 VAL 2 2HG1 VAL 2 -11.283 -6.639 -12.359 167 HG13 VAL 2 3HG1 VAL 2 -12.385 -7.328 -13.575 168 HG21 VAL 2 3HG2 VAL 2 -13.084 -6.830 -10.642 169 HG22 VAL 2 1HG2 VAL 2 -14.643 -6.008 -10.898 170 HG23 VAL 2 2HG2 VAL 2 -14.247 -7.456 -11.844 171 H ASN 3 H ASN 3 -13.104 -4.379 -9.387 172 HA ASN 3 HA ASN 3 -10.316 -3.928 -8.634 173 HB2 ASN 3 1HB ASN 3 -11.106 -4.122 -6.344 174 HB3 ASN 3 2HB ASN 3 -12.161 -3.022 -7.255 175 HD21 ASN 3 2HD2 ASN 3 -14.304 -3.659 -7.734 176 HD22 ASN 3 1HD2 ASN 3 -15.048 -5.010 -6.892 177 H GLN 4 H GLN 4 -8.840 -5.438 -8.069 178 HA GLN 4 HA GLN 4 -9.487 -8.272 -7.713 179 HB2 GLN 4 1HB GLN 4 -8.481 -9.030 -9.830 180 HB3 GLN 4 2HB GLN 4 -9.891 -8.007 -10.161 181 HG2 GLN 4 1HG GLN 4 -8.317 -6.066 -10.518 182 HG3 GLN 4 2HG GLN 4 -6.976 -7.205 -10.386 183 HE21 GLN 4 2HE2 GLN 4 -8.971 -5.611 -12.455 184 HE22 GLN 4 1HE2 GLN 4 -8.754 -6.640 -13.870 185 H HIS 5 H HIS 5 -7.218 -9.459 -8.109 186 HA HIS 5 HA HIS 5 -5.193 -7.911 -6.631 187 HB2 HIS 5 1HB HIS 5 -5.235 -10.724 -7.787 188 HB3 HIS 5 2HB HIS 5 -3.837 -10.030 -6.963 189 HD1 HIS 5 HD1 HIS 5 -4.203 -9.351 -4.366 190 HD2 HIS 5 HD2 HIS 5 -7.166 -11.783 -6.079 191 HE1 HIS 5 HE1 HIS 5 -5.529 -10.364 -2.438 192 HE2 HIS 5 HE2 HIS 5 -7.285 -11.862 -3.490 193 H LEU 6 H LEU 6 -3.442 -6.949 -7.564 194 HA LEU 6 HA LEU 6 -3.005 -7.391 -10.499 195 HB2 LEU 6 1HB LEU 6 -3.311 -4.750 -9.038 196 HB3 LEU 6 2HB LEU 6 -2.600 -4.884 -10.643 197 HG LEU 6 HG LEU 6 -5.354 -5.931 -10.128 198 HD11 LEU 6 1HD1 LEU 6 -4.571 -3.054 -10.620 199 HD12 LEU 6 2HD1 LEU 6 -5.482 -3.718 -9.253 200 HD13 LEU 6 3HD1 LEU 6 -6.216 -3.686 -10.871 201 HD21 LEU 6 3HD2 LEU 6 -3.956 -4.787 -12.574 202 HD22 LEU 6 1HD2 LEU 6 -5.641 -5.332 -12.522 203 HD23 LEU 6 2HD2 LEU 6 -4.337 -6.507 -12.269 204 H CYS 7 H CYS 7 -0.869 -7.351 -11.075 205 HA CYS 7 HA CYS 7 1.131 -6.406 -9.129 206 HB2 CYS 7 1HB CYS 7 0.354 -8.941 -8.799 207 HB3 CYS 7 2HB CYS 7 1.481 -9.211 -10.134 208 H GLY 8 H GLY 8 3.343 -6.477 -10.085 209 HA2 GLY 8 1HA GLY 8 4.771 -5.970 -11.815 210 HA3 GLY 8 2HA GLY 8 3.983 -7.311 -12.634 211 H SER 9 H SER 9 3.977 -6.656 -14.672 212 HA SER 9 HA SER 9 3.476 -4.011 -15.583 213 HB2 SER 9 1HB SER 9 2.942 -5.228 -17.762 214 HB3 SER 9 2HB SER 9 4.531 -5.574 -17.032 215 HG SER 9 HG SER 9 3.344 -7.470 -17.702 216 H HIS 10 H HIS 10 1.217 -6.645 -14.735 217 HA HIS 10 HA HIS 10 -1.066 -5.426 -15.948 218 HB2 HIS 10 1HB HIS 10 -0.694 -7.814 -14.896 219 HB3 HIS 10 2HB HIS 10 -1.357 -7.035 -13.451 220 HD1 HIS 10 HD1 HIS 10 -3.229 -9.105 -14.367 221 HD2 HIS 10 HD2 HIS 10 -3.113 -5.356 -16.220 222 HE1 HIS 10 HE1 HIS 10 -5.439 -8.821 -15.582 223 HE2 HIS 10 HE2 HIS 10 -5.364 -6.558 -16.704 224 H LEU 11 H LEU 11 0.526 -5.067 -12.778 225 HA LEU 11 HA LEU 11 -1.504 -3.337 -11.644 226 HB2 LEU 11 1HB LEU 11 0.916 -4.432 -10.781 227 HB3 LEU 11 2HB LEU 11 1.249 -2.719 -10.858 228 HG LEU 11 HG LEU 11 -0.922 -4.048 -9.236 229 HD11 LEU 11 1HD1 LEU 11 1.636 -2.624 -8.409 230 HD12 LEU 11 2HD1 LEU 11 1.376 -4.384 -8.381 231 HD13 LEU 11 3HD1 LEU 11 0.427 -3.333 -7.314 232 HD21 LEU 11 3HD2 LEU 11 -1.332 -1.851 -8.253 233 HD22 LEU 11 1HD2 LEU 11 -1.667 -1.825 -9.981 234 HD23 LEU 11 2HD2 LEU 11 -0.164 -1.116 -9.377 235 H VAL 12 H VAL 12 1.532 -2.752 -13.485 236 HA VAL 12 HA VAL 12 1.355 0.102 -13.412 237 HB VAL 12 HB VAL 12 2.538 -1.684 -15.600 238 HG11 VAL 12 1HG1 VAL 12 2.171 0.602 -16.443 239 HG12 VAL 12 2HG1 VAL 12 2.997 1.282 -15.024 240 HG13 VAL 12 3HG1 VAL 12 3.897 0.301 -16.200 241 HG21 VAL 12 3HG2 VAL 12 4.700 -1.227 -14.458 242 HG22 VAL 12 1HG2 VAL 12 3.827 -0.355 -13.176 243 HG23 VAL 12 2HG2 VAL 12 3.569 -2.097 -13.415 244 H GLU 13 H GLU 13 0.040 -2.265 -15.763 245 HA GLU 13 HA GLU 13 -1.120 -0.383 -17.552 246 HB2 GLU 13 1HB GLU 13 -1.790 -3.213 -16.740 247 HB3 GLU 13 2HB GLU 13 -2.796 -2.347 -17.916 248 HG2 GLU 13 1HG GLU 13 -1.032 -2.147 -19.471 249 HG3 GLU 13 2HG GLU 13 0.184 -2.634 -18.278 250 HE2 GLU 13 HE2 GLU 13 -2.138 -5.684 -19.043 251 H ALA 14 H ALA 14 -2.478 -1.886 -14.562 252 HA ALA 14 HA ALA 14 -5.050 -0.644 -14.879 253 HB1 ALA 14 3HB ALA 14 -4.633 -2.528 -13.368 254 HB2 ALA 14 1HB ALA 14 -3.594 -1.490 -12.354 255 HB3 ALA 14 2HB ALA 14 -5.329 -1.145 -12.498 256 H LEU 15 H LEU 15 -2.095 0.430 -13.172 257 HA LEU 15 HA LEU 15 -3.268 2.825 -12.125 258 HB2 LEU 15 1HB LEU 15 -0.736 1.540 -12.162 259 HB3 LEU 15 2HB LEU 15 -0.489 3.184 -12.726 260 HG LEU 15 HG LEU 15 -1.856 2.420 -10.126 261 HD11 LEU 15 1HD1 LEU 15 0.534 1.847 -10.140 262 HD12 LEU 15 2HD1 LEU 15 0.216 3.215 -9.057 263 HD13 LEU 15 3HD1 LEU 15 0.937 3.502 -10.655 264 HD21 LEU 15 3HD2 LEU 15 -1.580 4.828 -9.539 265 HD22 LEU 15 1HD2 LEU 15 -2.647 4.623 -10.938 266 HD23 LEU 15 2HD2 LEU 15 -0.968 5.149 -11.171 267 H TYR 16 H TYR 16 -1.667 2.091 -15.217 268 HA TYR 16 HA TYR 16 -1.686 4.792 -16.193 269 HB2 TYR 16 1HB TYR 16 -0.301 3.207 -17.295 270 HB3 TYR 16 2HB TYR 16 -1.635 2.067 -17.505 271 HD1 TYR 16 HD1 TYR 16 -0.405 5.438 -18.606 272 HD2 TYR 16 HD2 TYR 16 -3.027 2.123 -19.425 273 HE1 TYR 16 HE1 TYR 16 -0.926 6.395 -20.850 274 HE2 TYR 16 HE2 TYR 16 -3.548 3.088 -21.666 275 HH TYR 16 HH TYR 16 -2.057 6.115 -22.818 276 H LEU 17 H LEU 17 -4.111 2.129 -16.369 277 HA LEU 17 HA LEU 17 -5.780 3.560 -18.202 278 HB2 LEU 17 1HB LEU 17 -6.271 1.258 -16.314 279 HB3 LEU 17 2HB LEU 17 -7.538 1.911 -17.365 280 HG LEU 17 HG LEU 17 -4.867 0.975 -18.467 281 HD11 LEU 17 1HD1 LEU 17 -7.369 -0.718 -18.128 282 HD12 LEU 17 2HD1 LEU 17 -5.847 -0.896 -17.205 283 HD13 LEU 17 3HD1 LEU 17 -5.864 -1.194 -18.959 284 HD21 LEU 17 3HD2 LEU 17 -7.614 1.254 -19.737 285 HD22 LEU 17 1HD2 LEU 17 -6.138 0.681 -20.557 286 HD23 LEU 17 2HD2 LEU 17 -6.239 2.353 -19.971 287 H VAL 18 H VAL 18 -5.711 3.371 -14.624 288 HA VAL 18 HA VAL 18 -8.090 5.039 -14.480 289 HB VAL 18 HB VAL 18 -7.693 3.443 -12.671 290 HG11 VAL 18 1HG1 VAL 18 -5.181 3.602 -12.773 291 HG12 VAL 18 2HG1 VAL 18 -5.302 5.069 -11.798 292 HG13 VAL 18 3HG1 VAL 18 -5.894 3.512 -11.172 293 HG21 VAL 18 3HG2 VAL 18 -8.931 5.482 -12.073 294 HG22 VAL 18 1HG2 VAL 18 -7.955 4.932 -10.698 295 HG23 VAL 18 2HG2 VAL 18 -7.424 6.320 -11.667 296 H CYS 19 H CYS 19 -4.598 5.666 -14.258 297 HA CYS 19 HA CYS 19 -5.313 8.551 -13.829 298 HB2 CYS 19 1HB CYS 19 -4.201 7.127 -11.985 299 HB3 CYS 19 2HB CYS 19 -2.738 7.268 -12.961 300 H GLY 20 H GLY 20 -3.149 6.406 -15.640 301 HA2 GLY 20 1HA GLY 20 -1.472 8.544 -16.606 302 HA3 GLY 20 2HA GLY 20 -1.632 6.933 -17.327 303 H GLU 21 H GLU 21 -4.569 7.222 -17.552 304 HA GLU 21 HA GLU 21 -4.667 8.796 -20.036 305 HB2 GLU 21 1HB GLU 21 -6.726 7.118 -18.563 306 HB3 GLU 21 2HB GLU 21 -6.997 7.862 -20.137 307 HG2 GLU 21 1HG GLU 21 -4.681 5.964 -19.754 308 HG3 GLU 21 2HG GLU 21 -6.323 5.346 -19.970 309 HE2 GLU 21 HE2 GLU 21 -4.637 7.318 -22.967 310 H ARG 22 H ARG 22 -4.400 10.061 -17.262 311 HA ARG 22 HA ARG 22 -6.658 11.974 -17.551 312 HB2 ARG 22 1HB ARG 22 -7.240 10.244 -15.846 313 HB3 ARG 22 2HB ARG 22 -5.819 10.701 -14.920 314 HG2 ARG 22 1HG ARG 22 -7.683 11.783 -13.894 315 HG3 ARG 22 2HG ARG 22 -6.764 13.037 -14.745 316 HD2 ARG 22 1HD ARG 22 -9.052 13.421 -15.179 317 HD3 ARG 22 2HD ARG 22 -8.326 12.800 -16.672 318 HE ARG 22 HE ARG 22 -9.331 10.563 -15.295 319 HH11 ARG 22 1HH1 ARG 22 -10.685 13.481 -16.746 320 HH12 ARG 22 2HH1 ARG 22 -12.209 12.719 -17.094 321 HH21 ARG 22 1HH2 ARG 22 -11.307 9.653 -15.752 322 HH22 ARG 22 2HH2 ARG 22 -12.558 10.584 -16.529 323 H GLY 23 H GLY 23 -3.582 11.230 -15.925 324 HA2 GLY 23 1HA GLY 23 -2.974 14.152 -15.859 325 HA3 GLY 23 2HA GLY 23 -2.361 12.948 -14.704 326 H GLY 24 H GLY 24 -0.234 12.883 -15.042 327 HA2 GLY 24 1HA GLY 24 0.766 12.749 -17.853 328 HA3 GLY 24 2HA GLY 24 1.670 13.384 -16.479 329 H PHE 25 H PHE 25 0.759 11.051 -14.803 330 HA PHE 25 HA PHE 25 1.576 9.048 -14.121 331 HB2 PHE 25 1HB PHE 25 0.586 8.477 -16.478 332 HB3 PHE 25 2HB PHE 25 2.272 8.288 -16.957 333 HD1 PHE 25 HD1 PHE 25 0.499 7.338 -13.746 334 HD2 PHE 25 HD2 PHE 25 2.617 6.002 -17.257 335 HE1 PHE 25 HE1 PHE 25 0.502 5.034 -12.860 336 HE2 PHE 25 HE2 PHE 25 2.609 3.665 -16.380 337 HZ PHE 25 HZ PHE 25 1.547 3.172 -14.177 338 H TYR 26 H TYR 26 3.618 7.467 -14.388 339 HA TYR 26 HA TYR 26 6.016 9.254 -14.513 340 HB2 TYR 26 1HB TYR 26 6.923 8.058 -12.614 341 HB3 TYR 26 2HB TYR 26 5.339 8.707 -12.187 342 HD1 TYR 26 HD1 TYR 26 3.388 7.166 -11.966 343 HD2 TYR 26 HD2 TYR 26 7.337 5.678 -12.745 344 HE1 TYR 26 HE1 TYR 26 2.641 4.867 -11.373 345 HE2 TYR 26 HE2 TYR 26 6.591 3.385 -12.130 346 HH TYR 26 HH TYR 26 4.876 2.078 -11.377 347 H NVA 27 H ARX 27 4.454 6.750 -15.831 348 HA NVA 27 HA ARX 27 4.942 4.723 -16.838 349 HB2 NVA 27 1HB ARX 27 4.930 6.946 -18.374 350 HB3 NVA 27 2HB ARX 27 6.527 6.355 -18.786 351 HG2 NVA 27 1HG ARX 27 5.105 3.989 -19.024 352 HG3 NVA 27 2HG ARX 27 3.809 5.132 -19.308 353 HD2 NVA 27 1HD ARX 27 4.646 4.608 -21.441 354 HD3 NVA 27 2HD ARX 27 5.354 6.204 -21.147 355 HA PRO 28 HA PRO 28 9.123 3.239 -15.730 356 HB2 PRO 28 1HB PRO 28 8.418 0.786 -14.775 357 HB3 PRO 28 2HB PRO 28 8.172 2.275 -13.813 358 HG2 PRO 28 1HG PRO 28 6.206 0.736 -15.496 359 HG3 PRO 28 2HG PRO 28 6.010 1.381 -13.838 360 HD2 PRO 28 1HD PRO 28 5.092 2.641 -16.122 361 HD3 PRO 28 2HD PRO 28 5.532 3.522 -14.614 362 H HIX 29 H HIX 29 9.365 3.407 -18.065 363 HA HIX 29 HA HIX 29 8.518 1.402 -19.926 364 HB1 HIX 29 1HB HIX 29 10.502 3.694 -20.080 365 HB2 HIX 29 2HB HIX 29 10.397 2.533 -21.395 366 HD2 HIX 29 HD2 HIX 29 7.412 4.170 -19.230 367 HD1 HIX 29 HD1 HIX 29 8.706 3.613 -23.195 368 H THR 30 H THR 30 9.495 -0.063 -21.114 369 HA THR 30 HA THR 30 12.083 -1.288 -20.353 370 HB THR 30 HB THR 30 10.851 -3.573 -20.139 371 HG1 THR 30 HG1 THR 30 8.723 -1.875 -19.305 372 HG21 THR 30 1HG2 THR 30 11.869 -2.345 -18.127 373 HG22 THR 30 2HG2 THR 30 10.473 -3.368 -17.731 374 HG23 THR 30 3HG2 THR 30 10.290 -1.606 -17.851 375 HXT THR 30 H02 THR 30 9.280 -2.181 -21.870 Start of MODEL 3 1 H1 GLY 1 2H0 GLY 1 4.498 1.591 0.951 2 H2 GLY 1 1H0 GLY 1 3.004 1.994 0.395 3 HA2 GLY 1 1HA GLY 1 4.713 1.911 -1.377 4 HA3 GLY 1 2HA GLY 1 4.781 0.158 -1.094 5 H ILE 2 H ILE 2 3.454 -1.102 -2.121 6 HA ILE 2 HA ILE 2 0.806 -0.404 -2.994 7 HB ILE 2 HB ILE 2 1.834 0.984 -4.741 8 HG12 ILE 2 1HG1 ILE 2 1.205 -0.303 -6.848 9 HG13 ILE 2 2HG1 ILE 2 0.868 -1.693 -5.829 10 HG21 ILE 2 1HG2 ILE 2 3.520 -1.422 -5.618 11 HG22 ILE 2 2HG2 ILE 2 3.520 0.209 -6.326 12 HG23 ILE 2 3HG2 ILE 2 4.135 -0.027 -4.686 13 HD11 ILE 2 3HD1 ILE 2 -0.489 1.000 -5.693 14 HD12 ILE 2 1HD1 ILE 2 -1.186 -0.474 -6.358 15 HD13 ILE 2 2HD1 ILE 2 -0.840 -0.366 -4.618 16 H VAL 3 H VAL 3 3.649 -2.487 -3.595 17 HA VAL 3 HA VAL 3 2.322 -4.652 -4.775 18 HB VAL 3 HB VAL 3 4.839 -4.519 -3.043 19 HG11 VAL 3 1HG1 VAL 3 5.410 -6.784 -3.945 20 HG12 VAL 3 2HG1 VAL 3 4.037 -6.815 -2.833 21 HG13 VAL 3 3HG1 VAL 3 3.753 -6.919 -4.579 22 HG21 VAL 3 3HG2 VAL 3 4.417 -4.848 -6.048 23 HG22 VAL 3 1HG2 VAL 3 4.949 -3.362 -5.228 24 HG23 VAL 3 2HG2 VAL 3 5.984 -4.795 -5.216 25 H GLU 4 H GLU 4 2.885 -4.164 -1.231 26 HA GLU 4 HA GLU 4 1.568 -6.706 -0.692 27 HB2 GLU 4 1HB GLU 4 2.316 -4.438 1.198 28 HB3 GLU 4 2HB GLU 4 1.707 -6.022 1.676 29 HG2 GLU 4 1HG GLU 4 3.656 -7.060 0.437 30 HG3 GLU 4 2HG GLU 4 4.336 -5.420 0.307 31 HE2 GLU 4 HE2 GLU 4 5.567 -4.977 1.726 32 H GLN 5 H GLN 5 0.178 -3.907 -1.786 33 HA GLN 5 HA GLN 5 -2.313 -4.410 -0.195 34 HB2 GLN 5 1HB GLN 5 -1.311 -1.876 -1.520 35 HB3 GLN 5 2HB GLN 5 -2.909 -2.058 -0.789 36 HG2 GLN 5 1HG GLN 5 -1.834 -2.563 1.386 37 HG3 GLN 5 2HG GLN 5 -0.243 -2.353 0.655 38 HE21 GLN 5 2HE2 GLN 5 -2.650 -0.865 2.386 39 HE22 GLN 5 1HE2 GLN 5 -2.188 0.796 2.090 40 H CYS 6 H CYS 6 -0.914 -4.206 -3.444 41 HA CYS 6 HA CYS 6 -3.646 -4.826 -4.505 42 HB2 CYS 6 1HB CYS 6 -1.235 -3.548 -5.759 43 HB3 CYS 6 2HB CYS 6 -2.525 -4.277 -6.744 44 H CYS 7 H CYS 7 -0.260 -6.058 -4.457 45 HA CYS 7 HA CYS 7 -1.014 -8.239 -6.282 46 HB2 CYS 7 1HB CYS 7 1.390 -8.003 -4.425 47 HB3 CYS 7 2HB CYS 7 1.194 -9.160 -5.741 48 H THR 8 H THR 8 -0.297 -7.806 -2.778 49 HA THR 8 HA THR 8 -1.077 -10.493 -2.075 50 HB THR 8 HB THR 8 -0.808 -8.055 -0.264 51 HG1 THR 8 HG1 THR 8 1.310 -9.845 -0.661 52 HG21 THR 8 1HG2 THR 8 -0.359 -11.054 0.184 53 HG22 THR 8 2HG2 THR 8 -1.689 -10.067 0.849 54 HG23 THR 8 3HG2 THR 8 -0.023 -9.759 1.368 55 H SER 9 H SER 9 -2.746 -7.318 -1.898 56 HA SER 9 HA SER 9 -5.174 -8.785 -0.949 57 HB2 SER 9 1HB SER 9 -4.871 -5.847 -0.632 58 HB3 SER 9 2HB SER 9 -5.732 -7.011 0.381 59 HG SER 9 HG SER 9 -3.775 -7.699 1.192 60 H ILE 10 H ILE 10 -7.175 -7.143 -1.382 61 HA ILE 10 HA ILE 10 -7.276 -6.869 -4.339 62 HB ILE 10 HB ILE 10 -9.468 -6.791 -2.196 63 HG12 ILE 10 1HG1 ILE 10 -8.495 -9.036 -2.543 64 HG13 ILE 10 2HG1 ILE 10 -10.194 -8.925 -2.984 65 HG21 ILE 10 1HG2 ILE 10 -11.048 -6.940 -4.191 66 HG22 ILE 10 2HG2 ILE 10 -10.221 -5.386 -4.037 67 HG23 ILE 10 3HG2 ILE 10 -9.662 -6.570 -5.253 68 HD11 ILE 10 3HD1 ILE 10 -9.609 -8.886 -5.382 69 HD12 ILE 10 1HD1 ILE 10 -7.873 -8.920 -4.973 70 HD13 ILE 10 2HD1 ILE 10 -8.935 -10.299 -4.588 71 H CYS 11 H CYS 11 -7.310 -4.880 -5.257 72 HA CYS 11 HA CYS 11 -8.056 -2.563 -3.566 73 HB2 CYS 11 1HB CYS 11 -6.202 -1.260 -4.566 74 HB3 CYS 11 2HB CYS 11 -5.602 -2.626 -3.610 75 H SER 12 H SER 12 -8.906 -0.792 -4.843 76 HA SER 12 HA SER 12 -9.958 -1.700 -7.510 77 HB2 SER 12 1HB SER 12 -11.623 -1.430 -5.588 78 HB3 SER 12 2HB SER 12 -11.235 0.299 -5.589 79 HG SER 12 HG SER 12 -13.077 -0.331 -6.902 80 H LEU 13 H LEU 13 -10.665 0.395 -8.771 81 HA LEU 13 HA LEU 13 -8.352 1.833 -9.462 82 HB2 LEU 13 1HB LEU 13 -9.830 3.247 -10.743 83 HB3 LEU 13 2HB LEU 13 -10.240 1.550 -10.935 84 HG LEU 13 HG LEU 13 -11.897 2.626 -8.844 85 HD11 LEU 13 1HD1 LEU 13 -11.913 4.265 -11.413 86 HD12 LEU 13 2HD1 LEU 13 -11.387 4.844 -9.811 87 HD13 LEU 13 3HD1 LEU 13 -13.088 4.385 -10.072 88 HD21 LEU 13 3HD2 LEU 13 -12.517 1.827 -11.696 89 HD22 LEU 13 1HD2 LEU 13 -13.670 1.953 -10.354 90 HD23 LEU 13 2HD2 LEU 13 -12.390 0.731 -10.308 91 H TYR 14 H TYR 14 -10.815 2.541 -7.051 92 HA TYR 14 HA TYR 14 -10.191 5.291 -6.652 93 HB2 TYR 14 1HB TYR 14 -12.227 4.030 -5.804 94 HB3 TYR 14 2HB TYR 14 -11.167 3.300 -4.568 95 HD1 TYR 14 HD1 TYR 14 -12.689 6.471 -5.779 96 HD2 TYR 14 HD2 TYR 14 -10.454 4.595 -2.620 97 HE1 TYR 14 HE1 TYR 14 -13.045 8.475 -4.312 98 HE2 TYR 14 HE2 TYR 14 -10.816 6.597 -1.173 99 HH TYR 14 HH TYR 14 -12.631 9.442 -2.264 100 H GLN 15 H GLN 15 -8.903 2.317 -5.090 101 HA GLN 15 HA GLN 15 -7.134 3.816 -3.353 102 HB2 GLN 15 1HB GLN 15 -7.136 0.922 -4.290 103 HB3 GLN 15 2HB GLN 15 -5.916 1.590 -3.214 104 HG2 GLN 15 1HG GLN 15 -7.503 0.500 -1.832 105 HG3 GLN 15 2HG GLN 15 -7.744 2.242 -1.606 106 HE21 GLN 15 2HE2 GLN 15 -9.850 2.193 -0.978 107 HE22 GLN 15 1HE2 GLN 15 -11.149 1.629 -1.994 108 H LEU 16 H LEU 16 -6.830 2.203 -6.547 109 HA LEU 16 HA LEU 16 -4.083 2.515 -6.952 110 HB2 LEU 16 1HB LEU 16 -6.463 2.282 -8.667 111 HB3 LEU 16 2HB LEU 16 -5.071 3.011 -9.442 112 HG LEU 16 HG LEU 16 -5.319 0.582 -9.882 113 HD11 LEU 16 1HD1 LEU 16 -2.990 -0.037 -9.444 114 HD12 LEU 16 2HD1 LEU 16 -2.804 1.376 -8.376 115 HD13 LEU 16 3HD1 LEU 16 -3.153 1.594 -10.109 116 HD21 LEU 16 3HD2 LEU 16 -4.570 0.200 -6.960 117 HD22 LEU 16 1HD2 LEU 16 -4.775 -1.053 -8.201 118 HD23 LEU 16 2HD2 LEU 16 -6.170 -0.104 -7.686 119 H GLU 17 H GLU 17 -6.644 4.952 -7.502 120 HA GLU 17 HA GLU 17 -5.023 6.918 -8.734 121 HB2 GLU 17 1HB GLU 17 -7.419 7.132 -6.891 122 HB3 GLU 17 2HB GLU 17 -6.671 8.546 -7.632 123 HG2 GLU 17 1HG GLU 17 -7.143 7.729 -9.829 124 HG3 GLU 17 2HG GLU 17 -7.759 6.204 -9.175 125 HE2 GLU 17 HE2 GLU 17 -8.424 9.149 -10.112 126 H ASN 18 H ASN 18 -5.298 6.098 -5.273 127 HA ASN 18 HA ASN 18 -3.982 8.541 -4.397 128 HB2 ASN 18 1HB ASN 18 -4.519 5.887 -3.045 129 HB3 ASN 18 2HB ASN 18 -3.679 7.204 -2.247 130 HD21 ASN 18 2HD2 ASN 18 -6.739 6.058 -3.452 131 HD22 ASN 18 1HD2 ASN 18 -7.705 7.320 -2.728 132 H TYR 19 H TYR 19 -2.843 5.568 -5.791 133 HA TYR 19 HA TYR 19 -0.154 5.931 -4.612 134 HB2 TYR 19 1HB TYR 19 -1.218 4.051 -6.742 135 HB3 TYR 19 2HB TYR 19 0.435 4.009 -6.068 136 HD1 TYR 19 HD1 TYR 19 0.793 3.358 -3.621 137 HD2 TYR 19 HD2 TYR 19 -3.020 3.114 -5.563 138 HE1 TYR 19 HE1 TYR 19 -0.071 1.871 -1.812 139 HE2 TYR 19 HE2 TYR 19 -3.874 1.629 -3.757 140 HH TYR 19 HH TYR 19 -1.842 0.705 -0.981 141 H CYS 20 H CYS 20 -2.010 7.271 -7.111 142 HA CYS 20 HA CYS 20 0.269 7.663 -8.967 143 HB2 CYS 20 1HB CYS 20 -2.199 7.294 -9.655 144 HB3 CYS 20 2HB CYS 20 -2.479 8.940 -9.091 145 H ASN 21 H ASN 21 -1.984 9.410 -6.861 146 HA ASN 21 HA ASN 21 -1.961 11.403 -5.766 147 HB2 ASN 21 1HB ASN 21 -0.203 10.182 -4.496 148 HB3 ASN 21 2HB ASN 21 1.041 10.868 -5.563 149 HD21 ASN 21 2HD2 ASN 21 2.138 12.211 -4.277 150 HD22 ASN 21 1HD2 ASN 21 1.395 13.544 -3.405 151 HXT ASN 21 H02 ASN 21 0.465 13.442 -8.015 152 H1 PHE 1 2H0 PHE 1 -11.074 -1.195 -16.638 153 H2 PHE 1 1H0 PHE 1 -12.041 -2.508 -16.441 154 HA PHE 1 HA PHE 1 -10.200 -2.408 -14.782 155 HB2 PHE 1 1HB PHE 1 -10.516 0.181 -14.799 156 HB3 PHE 1 2HB PHE 1 -11.798 -0.094 -13.638 157 HD1 PHE 1 HD2 PHE 1 -11.032 -1.742 -11.579 158 HD2 PHE 1 HD1 PHE 1 -8.426 0.720 -14.000 159 HE1 PHE 1 HE2 PHE 1 -9.301 -1.830 -9.814 160 HE2 PHE 1 HE1 PHE 1 -6.733 0.670 -12.203 161 HZ PHE 1 HZ PHE 1 -7.161 -0.622 -10.114 162 H VAL 2 H VAL 2 -10.516 -4.040 -13.528 163 HA VAL 2 HA VAL 2 -13.019 -4.139 -11.877 164 HB VAL 2 HB VAL 2 -11.494 -6.529 -13.024 165 HG11 VAL 2 1HG1 VAL 2 -13.984 -6.375 -11.246 166 HG12 VAL 2 2HG1 VAL 2 -13.379 -7.857 -12.035 167 HG13 VAL 2 3HG1 VAL 2 -12.391 -7.054 -10.820 168 HG21 VAL 2 3HG2 VAL 2 -14.258 -5.413 -13.706 169 HG22 VAL 2 1HG2 VAL 2 -12.824 -5.469 -14.763 170 HG23 VAL 2 2HG2 VAL 2 -13.596 -6.971 -14.269 171 H ASN 3 H ASN 3 -12.641 -4.413 -9.710 172 HA ASN 3 HA ASN 3 -9.949 -4.113 -8.699 173 HB2 ASN 3 1HB ASN 3 -11.010 -4.370 -6.484 174 HB3 ASN 3 2HB ASN 3 -11.811 -3.158 -7.487 175 HD21 ASN 3 2HD2 ASN 3 -12.305 -5.772 -5.500 176 HD22 ASN 3 1HD2 ASN 3 -13.912 -6.156 -6.005 177 H GLN 4 H GLN 4 -8.478 -5.649 -8.379 178 HA GLN 4 HA GLN 4 -9.185 -8.414 -7.733 179 HB2 GLN 4 1HB GLN 4 -8.326 -9.384 -9.784 180 HB3 GLN 4 2HB GLN 4 -9.612 -8.264 -10.210 181 HG2 GLN 4 1HG GLN 4 -7.755 -6.545 -10.648 182 HG3 GLN 4 2HG GLN 4 -6.605 -7.889 -10.543 183 HE21 GLN 4 2HE2 GLN 4 -9.420 -6.614 -12.264 184 HE22 GLN 4 1HE2 GLN 4 -9.111 -7.476 -13.751 185 H HIS 5 H HIS 5 -6.947 -9.702 -7.961 186 HA HIS 5 HA HIS 5 -4.925 -8.125 -6.573 187 HB2 HIS 5 1HB HIS 5 -4.934 -10.962 -7.662 188 HB3 HIS 5 2HB HIS 5 -3.567 -10.238 -6.813 189 HD1 HIS 5 HD1 HIS 5 -3.930 -9.577 -4.275 190 HD2 HIS 5 HD2 HIS 5 -6.975 -11.896 -5.963 191 HE1 HIS 5 HE1 HIS 5 -5.347 -10.450 -2.332 192 HE2 HIS 5 HE2 HIS 5 -7.163 -11.883 -3.373 193 H LEU 6 H LEU 6 -3.790 -6.685 -7.677 194 HA LEU 6 HA LEU 6 -3.106 -7.263 -10.552 195 HB2 LEU 6 1HB LEU 6 -3.476 -4.657 -9.007 196 HB3 LEU 6 2HB LEU 6 -2.784 -4.736 -10.623 197 HG LEU 6 HG LEU 6 -5.476 -5.942 -10.092 198 HD11 LEU 6 1HD1 LEU 6 -4.840 -3.008 -10.592 199 HD12 LEU 6 2HD1 LEU 6 -5.645 -3.707 -9.157 200 HD13 LEU 6 3HD1 LEU 6 -6.458 -3.723 -10.730 201 HD21 LEU 6 3HD2 LEU 6 -4.446 -6.371 -12.262 202 HD22 LEU 6 1HD2 LEU 6 -4.174 -4.629 -12.516 203 HD23 LEU 6 2HD2 LEU 6 -5.833 -5.286 -12.471 204 H CYS 7 H CYS 7 -0.976 -7.283 -11.075 205 HA CYS 7 HA CYS 7 1.011 -6.207 -9.202 206 HB2 CYS 7 1HB CYS 7 0.283 -8.717 -8.666 207 HB3 CYS 7 2HB CYS 7 1.423 -9.072 -9.992 208 H GLY 8 H GLY 8 3.249 -6.378 -10.115 209 HA2 GLY 8 1HA GLY 8 4.682 -5.942 -11.849 210 HA3 GLY 8 2HA GLY 8 3.879 -7.311 -12.630 211 H SER 9 H SER 9 3.774 -6.781 -14.665 212 HA SER 9 HA SER 9 3.417 -4.190 -15.743 213 HB2 SER 9 1HB SER 9 2.568 -5.691 -17.746 214 HB3 SER 9 2HB SER 9 4.260 -5.804 -17.203 215 HG SER 9 HG SER 9 3.335 -7.877 -17.390 216 H HIS 10 H HIS 10 1.053 -6.646 -14.642 217 HA HIS 10 HA HIS 10 -1.205 -5.312 -15.823 218 HB2 HIS 10 1HB HIS 10 -0.951 -7.726 -14.814 219 HB3 HIS 10 2HB HIS 10 -1.518 -6.929 -13.342 220 HD1 HIS 10 HD1 HIS 10 -3.641 -8.735 -13.976 221 HD2 HIS 10 HD2 HIS 10 -3.181 -5.246 -16.240 222 HE1 HIS 10 HE1 HIS 10 -5.823 -8.342 -15.183 223 HE2 HIS 10 HE2 HIS 10 -5.546 -6.243 -16.551 224 H LEU 11 H LEU 11 0.511 -5.009 -12.713 225 HA LEU 11 HA LEU 11 -1.395 -3.181 -11.509 226 HB2 LEU 11 1HB LEU 11 1.141 -4.267 -10.848 227 HB3 LEU 11 2HB LEU 11 1.366 -2.526 -10.853 228 HG LEU 11 HG LEU 11 -0.715 -4.020 -9.220 229 HD11 LEU 11 1HD1 LEU 11 1.836 -2.589 -8.336 230 HD12 LEU 11 2HD1 LEU 11 1.675 -4.349 -8.502 231 HD13 LEU 11 3HD1 LEU 11 0.698 -3.496 -7.305 232 HD21 LEU 11 3HD2 LEU 11 -1.465 -1.749 -9.830 233 HD22 LEU 11 1HD2 LEU 11 0.056 -1.074 -9.226 234 HD23 LEU 11 2HD2 LEU 11 -1.081 -1.864 -8.101 235 H VAL 12 H VAL 12 1.530 -2.722 -13.568 236 HA VAL 12 HA VAL 12 1.424 0.139 -13.560 237 HB VAL 12 HB VAL 12 2.468 -1.714 -15.761 238 HG11 VAL 12 1HG1 VAL 12 2.948 1.250 -15.220 239 HG12 VAL 12 2HG1 VAL 12 3.859 0.271 -16.400 240 HG13 VAL 12 3HG1 VAL 12 2.122 0.547 -16.629 241 HG21 VAL 12 3HG2 VAL 12 3.585 -2.080 -13.556 242 HG22 VAL 12 1HG2 VAL 12 4.677 -1.329 -14.738 243 HG23 VAL 12 2HG2 VAL 12 3.935 -0.328 -13.457 244 H GLU 13 H GLU 13 -0.066 -2.300 -15.759 245 HA GLU 13 HA GLU 13 -1.279 -0.458 -17.538 246 HB2 GLU 13 1HB GLU 13 -1.969 -3.262 -16.628 247 HB3 GLU 13 2HB GLU 13 -3.039 -2.381 -17.729 248 HG2 GLU 13 1HG GLU 13 -1.377 -2.281 -19.399 249 HG3 GLU 13 2HG GLU 13 -0.105 -2.796 -18.296 250 HE2 GLU 13 HE2 GLU 13 -0.428 -3.950 -20.495 251 H ALA 14 H ALA 14 -2.500 -1.787 -14.421 252 HA ALA 14 HA ALA 14 -5.101 -0.570 -14.685 253 HB1 ALA 14 3HB ALA 14 -5.226 -0.933 -12.241 254 HB2 ALA 14 1HB ALA 14 -4.663 -2.362 -13.129 255 HB3 ALA 14 2HB ALA 14 -3.494 -1.360 -12.232 256 H LEU 15 H LEU 15 -2.066 0.489 -13.087 257 HA LEU 15 HA LEU 15 -3.138 2.951 -12.064 258 HB2 LEU 15 1HB LEU 15 -0.645 1.572 -12.153 259 HB3 LEU 15 2HB LEU 15 -0.350 3.132 -12.889 260 HG LEU 15 HG LEU 15 -1.316 2.617 -10.065 261 HD11 LEU 15 1HD1 LEU 15 0.845 3.609 -9.473 262 HD12 LEU 15 2HD1 LEU 15 1.252 3.777 -11.198 263 HD13 LEU 15 3HD1 LEU 15 1.041 2.156 -10.477 264 HD21 LEU 15 3HD2 LEU 15 -0.807 5.303 -11.421 265 HD22 LEU 15 1HD2 LEU 15 -1.124 5.025 -9.689 266 HD23 LEU 15 2HD2 LEU 15 -2.384 4.667 -10.873 267 H TYR 16 H TYR 16 -1.733 2.013 -15.213 268 HA TYR 16 HA TYR 16 -1.609 4.670 -16.280 269 HB2 TYR 16 1HB TYR 16 -0.348 2.869 -17.273 270 HB3 TYR 16 2HB TYR 16 -1.817 1.939 -17.616 271 HD1 TYR 16 HD2 TYR 16 -0.129 5.200 -18.409 272 HD2 TYR 16 HD1 TYR 16 -2.992 2.237 -19.652 273 HE1 TYR 16 HE2 TYR 16 -0.356 6.320 -20.633 274 HE2 TYR 16 HE1 TYR 16 -3.236 3.370 -21.844 275 HH TYR 16 HH TYR 16 -2.516 5.039 -23.188 276 H LEU 17 H LEU 17 -4.153 2.112 -16.422 277 HA LEU 17 HA LEU 17 -5.782 3.662 -18.236 278 HB2 LEU 17 1HB LEU 17 -6.412 1.369 -16.342 279 HB3 LEU 17 2HB LEU 17 -7.604 2.071 -17.434 280 HG LEU 17 HG LEU 17 -4.975 0.914 -18.406 281 HD11 LEU 17 1HD1 LEU 17 -7.704 -0.432 -18.307 282 HD12 LEU 17 2HD1 LEU 17 -6.313 -0.803 -17.238 283 HD13 LEU 17 3HD1 LEU 17 -6.203 -1.107 -18.986 284 HD21 LEU 17 3HD2 LEU 17 -6.119 0.799 -20.583 285 HD22 LEU 17 1HD2 LEU 17 -6.021 2.475 -19.988 286 HD23 LEU 17 2HD2 LEU 17 -7.552 1.574 -19.877 287 H VAL 18 H VAL 18 -5.670 3.424 -14.681 288 HA VAL 18 HA VAL 18 -8.017 5.146 -14.497 289 HB VAL 18 HB VAL 18 -7.508 3.315 -12.874 290 HG11 VAL 18 1HG1 VAL 18 -5.026 3.867 -12.752 291 HG12 VAL 18 2HG1 VAL 18 -5.486 5.143 -11.589 292 HG13 VAL 18 3HG1 VAL 18 -5.862 3.436 -11.262 293 HG21 VAL 18 3HG2 VAL 18 -7.734 6.083 -11.677 294 HG22 VAL 18 1HG2 VAL 18 -9.084 5.081 -12.277 295 HG23 VAL 18 2HG2 VAL 18 -8.127 4.567 -10.859 296 H CYS 19 H CYS 19 -4.516 5.652 -14.281 297 HA CYS 19 HA CYS 19 -5.100 8.549 -13.743 298 HB2 CYS 19 1HB CYS 19 -4.078 7.188 -11.855 299 HB3 CYS 19 2HB CYS 19 -2.627 7.057 -12.849 300 H GLY 20 H GLY 20 -2.952 6.276 -15.445 301 HA2 GLY 20 1HA GLY 20 -1.241 8.279 -16.486 302 HA3 GLY 20 2HA GLY 20 -1.510 6.701 -17.223 303 H GLU 21 H GLU 21 -4.299 6.996 -17.717 304 HA GLU 21 HA GLU 21 -4.230 8.755 -20.076 305 HB2 GLU 21 1HB GLU 21 -6.422 7.045 -18.877 306 HB3 GLU 21 2HB GLU 21 -6.518 7.890 -20.425 307 HG2 GLU 21 1HG GLU 21 -4.570 6.573 -21.231 308 HG3 GLU 21 2HG GLU 21 -4.569 5.661 -19.717 309 HE2 GLU 21 HE2 GLU 21 -6.406 3.885 -22.242 310 H ARG 22 H ARG 22 -4.461 9.565 -16.972 311 HA ARG 22 HA ARG 22 -6.638 11.586 -17.412 312 HB2 ARG 22 1HB ARG 22 -6.840 9.980 -15.470 313 HB3 ARG 22 2HB ARG 22 -5.380 10.656 -14.804 314 HG2 ARG 22 1HG ARG 22 -7.236 11.629 -13.670 315 HG3 ARG 22 2HG ARG 22 -6.481 12.884 -14.692 316 HD2 ARG 22 1HD ARG 22 -8.885 13.014 -14.919 317 HD3 ARG 22 2HD ARG 22 -8.186 12.413 -16.442 318 HE ARG 22 HE ARG 22 -8.846 10.180 -14.824 319 HH11 ARG 22 1HH1 ARG 22 -10.544 12.699 -16.623 320 HH12 ARG 22 2HH1 ARG 22 -11.914 11.692 -16.921 321 HH21 ARG 22 1HH2 ARG 22 -10.636 8.956 -15.226 322 HH22 ARG 22 2HH2 ARG 22 -11.990 9.611 -16.095 323 H GLY 23 H GLY 23 -3.332 11.085 -16.160 324 HA2 GLY 23 1HA GLY 23 -1.862 12.936 -17.190 325 HA3 GLY 23 2HA GLY 23 -2.877 14.012 -16.211 326 H GLY 24 H GLY 24 0.034 13.039 -16.181 327 HA2 GLY 24 1HA GLY 24 1.409 13.436 -14.270 328 HA3 GLY 24 2HA GLY 24 0.128 12.838 -13.234 329 H PHE 25 H PHE 25 0.978 10.886 -16.013 330 HA PHE 25 HA PHE 25 1.864 8.773 -14.221 331 HB2 PHE 25 1HB PHE 25 0.622 8.743 -16.627 332 HB3 PHE 25 2HB PHE 25 2.279 8.497 -17.145 333 HD1 PHE 25 HD1 PHE 25 0.314 7.289 -14.175 334 HD2 PHE 25 HD2 PHE 25 2.647 6.236 -17.638 335 HE1 PHE 25 HE1 PHE 25 0.195 4.913 -13.531 336 HE2 PHE 25 HE2 PHE 25 2.528 3.843 -16.998 337 HZ PHE 25 HZ PHE 25 1.279 3.161 -14.943 338 H TYR 26 H TYR 26 3.845 7.591 -14.441 339 HA TYR 26 HA TYR 26 6.142 9.359 -15.164 340 HB2 TYR 26 1HB TYR 26 7.379 8.323 -13.384 341 HB3 TYR 26 2HB TYR 26 5.840 8.905 -12.729 342 HD1 TYR 26 HD2 TYR 26 3.961 7.191 -12.315 343 HD2 TYR 26 HD1 TYR 26 7.976 6.007 -13.268 344 HE1 TYR 26 HE2 TYR 26 3.476 4.889 -11.514 345 HE2 TYR 26 HE1 TYR 26 7.498 3.725 -12.417 346 HH TYR 26 HH TYR 26 5.985 2.338 -11.445 347 H NVA 27 H ARX 27 4.504 6.699 -16.089 348 HA NVA 27 HA ARX 27 4.927 4.601 -16.962 349 HB2 NVA 27 1HB ARX 27 4.747 6.587 -18.756 350 HB3 NVA 27 2HB ARX 27 6.343 6.015 -19.194 351 HG2 NVA 27 1HG ARX 27 5.057 3.579 -19.085 352 HG3 NVA 27 2HG ARX 27 3.672 4.612 -19.385 353 HD2 NVA 27 1HD ARX 27 4.366 3.944 -21.508 354 HD3 NVA 27 2HD ARX 27 5.043 5.584 -21.419 355 HA PRO 28 HA PRO 28 9.232 3.259 -16.060 356 HB2 PRO 28 1HB PRO 28 8.660 0.880 -14.879 357 HB3 PRO 28 2HB PRO 28 8.460 2.435 -14.005 358 HG2 PRO 28 1HG PRO 28 6.397 0.744 -15.384 359 HG3 PRO 28 2HG PRO 28 6.318 1.535 -13.789 360 HD2 PRO 28 1HD PRO 28 5.195 2.577 -16.085 361 HD3 PRO 28 2HD PRO 28 5.725 3.578 -14.691 362 H HIX 29 H HIX 29 9.435 3.190 -18.363 363 HA HIX 29 HA HIX 29 8.447 1.002 -19.996 364 HB1 HIX 29 1HB HIX 29 10.320 3.328 -20.517 365 HB2 HIX 29 2HB HIX 29 10.170 2.046 -21.719 366 HD2 HIX 29 HD2 HIX 29 7.325 3.831 -19.477 367 HD1 HIX 29 HD1 HIX 29 8.277 2.802 -23.461 368 H THR 30 H THR 30 9.311 -0.669 -20.917 369 HA THR 30 HA THR 30 12.093 -1.578 -20.472 370 HB THR 30 HB THR 30 11.072 -3.905 -19.823 371 HG1 THR 30 HG1 THR 30 8.893 -3.169 -20.091 372 HG21 THR 30 1HG2 THR 30 11.015 -1.713 -17.687 373 HG22 THR 30 2HG2 THR 30 12.510 -2.481 -18.280 374 HG23 THR 30 3HG2 THR 30 11.290 -3.453 -17.450 375 HXT THR 30 H02 THR 30 11.875 -0.998 -22.420 Start of MODEL 4 1 H1 GLY 1 2H0 GLY 1 0.958 -0.271 1.766 2 H2 GLY 1 1H0 GLY 1 1.938 -1.552 1.473 3 HA2 GLY 1 1HA GLY 1 1.864 1.012 -0.021 4 HA3 GLY 1 2HA GLY 1 3.129 -0.218 -0.258 5 H ILE 2 H ILE 2 1.986 0.481 -2.444 6 HA ILE 2 HA ILE 2 -0.482 -0.637 -3.199 7 HB ILE 2 HB ILE 2 0.821 0.985 -4.563 8 HG12 ILE 2 1HG1 ILE 2 0.178 -1.567 -6.108 9 HG13 ILE 2 2HG1 ILE 2 -1.021 -0.429 -5.512 10 HG21 ILE 2 1HG2 ILE 2 2.597 -1.386 -5.385 11 HG22 ILE 2 2HG2 ILE 2 2.727 0.306 -5.935 12 HG23 ILE 2 3HG2 ILE 2 3.093 -0.104 -4.255 13 HD11 ILE 2 3HD1 ILE 2 1.000 -0.118 -7.680 14 HD12 ILE 2 1HD1 ILE 2 -0.748 0.172 -7.702 15 HD13 ILE 2 2HD1 ILE 2 0.318 1.318 -6.871 16 H VAL 3 H VAL 3 2.675 -2.274 -2.909 17 HA VAL 3 HA VAL 3 1.866 -4.584 -4.405 18 HB VAL 3 HB VAL 3 3.966 -4.213 -2.234 19 HG11 VAL 3 1HG1 VAL 3 3.510 -6.615 -4.075 20 HG12 VAL 3 2HG1 VAL 3 4.926 -6.378 -3.032 21 HG13 VAL 3 3HG1 VAL 3 3.328 -6.599 -2.301 22 HG21 VAL 3 3HG2 VAL 3 5.531 -4.296 -4.164 23 HG22 VAL 3 1HG2 VAL 3 4.149 -4.409 -5.270 24 HG23 VAL 3 2HG2 VAL 3 4.399 -2.945 -4.290 25 H GLU 4 H GLU 4 1.815 -3.870 -0.866 26 HA GLU 4 HA GLU 4 0.591 -6.369 -0.173 27 HB2 GLU 4 1HB GLU 4 0.969 -3.712 1.168 28 HB3 GLU 4 2HB GLU 4 -0.165 -4.871 1.875 29 HG2 GLU 4 1HG GLU 4 2.752 -5.464 1.268 30 HG3 GLU 4 2HG GLU 4 2.120 -5.011 2.856 31 HE2 GLU 4 HE2 GLU 4 3.249 -7.340 1.495 32 H GLN 5 H GLN 5 -0.738 -3.265 -1.214 33 HA GLN 5 HA GLN 5 -3.450 -4.015 -0.459 34 HB2 GLN 5 1HB GLN 5 -2.170 -1.724 -1.915 35 HB3 GLN 5 2HB GLN 5 -3.923 -1.934 -1.955 36 HG2 GLN 5 1HG GLN 5 -2.339 -1.838 0.620 37 HG3 GLN 5 2HG GLN 5 -3.023 -0.401 -0.139 38 HE21 GLN 5 2HE2 GLN 5 -3.576 -2.569 2.236 39 HE22 GLN 5 1HE2 GLN 5 -5.327 -2.534 2.264 40 H CYS 6 H CYS 6 -1.615 -3.998 -3.532 41 HA CYS 6 HA CYS 6 -4.080 -4.971 -4.899 42 HB2 CYS 6 1HB CYS 6 -1.511 -3.780 -5.971 43 HB3 CYS 6 2HB CYS 6 -2.845 -4.370 -6.962 44 H CYS 7 H CYS 7 -0.556 -5.818 -4.574 45 HA CYS 7 HA CYS 7 -0.999 -8.146 -6.304 46 HB2 CYS 7 1HB CYS 7 1.262 -7.616 -4.343 47 HB3 CYS 7 2HB CYS 7 1.234 -8.879 -5.562 48 H THR 8 H THR 8 -0.361 -7.683 -2.816 49 HA THR 8 HA THR 8 -0.975 -10.409 -2.151 50 HB THR 8 HB THR 8 -0.844 -7.966 -0.325 51 HG1 THR 8 HG1 THR 8 1.375 -9.418 -0.321 52 HG21 THR 8 1HG2 THR 8 -1.707 -9.959 0.808 53 HG22 THR 8 2HG2 THR 8 -0.056 -9.622 1.346 54 HG23 THR 8 3HG2 THR 8 -0.356 -10.935 0.177 55 H SER 9 H SER 9 -2.815 -7.337 -1.734 56 HA SER 9 HA SER 9 -5.177 -8.991 -0.963 57 HB2 SER 9 1HB SER 9 -4.744 -6.051 -0.432 58 HB3 SER 9 2HB SER 9 -5.972 -7.124 0.275 59 HG SER 9 HG SER 9 -3.187 -7.017 0.739 60 H ILE 10 H ILE 10 -7.229 -7.284 -1.308 61 HA ILE 10 HA ILE 10 -7.330 -6.908 -4.262 62 HB ILE 10 HB ILE 10 -9.511 -6.834 -2.100 63 HG12 ILE 10 1HG1 ILE 10 -8.640 -9.117 -2.563 64 HG13 ILE 10 2HG1 ILE 10 -10.339 -8.911 -2.994 65 HG21 ILE 10 1HG2 ILE 10 -11.110 -6.832 -4.095 66 HG22 ILE 10 2HG2 ILE 10 -10.218 -5.326 -3.838 67 HG23 ILE 10 3HG2 ILE 10 -9.714 -6.438 -5.125 68 HD11 ILE 10 3HD1 ILE 10 -9.157 -10.237 -4.670 69 HD12 ILE 10 1HD1 ILE 10 -9.735 -8.725 -5.383 70 HD13 ILE 10 2HD1 ILE 10 -8.009 -8.907 -4.956 71 H CYS 11 H CYS 11 -7.287 -4.883 -5.100 72 HA CYS 11 HA CYS 11 -7.868 -2.598 -3.277 73 HB2 CYS 11 1HB CYS 11 -6.088 -1.310 -4.292 74 HB3 CYS 11 2HB CYS 11 -5.407 -2.807 -3.658 75 H SER 12 H SER 12 -8.494 -0.676 -4.535 76 HA SER 12 HA SER 12 -9.991 -1.440 -7.025 77 HB2 SER 12 1HB SER 12 -11.404 -1.102 -4.973 78 HB3 SER 12 2HB SER 12 -10.784 0.553 -4.844 79 HG SER 12 HG SER 12 -12.846 0.252 -5.990 80 H LEU 13 H LEU 13 -10.533 0.546 -8.317 81 HA LEU 13 HA LEU 13 -8.209 1.899 -9.129 82 HB2 LEU 13 1HB LEU 13 -9.663 3.251 -10.472 83 HB3 LEU 13 2HB LEU 13 -10.169 1.598 -10.534 84 HG LEU 13 HG LEU 13 -11.633 3.482 -8.705 85 HD11 LEU 13 1HD1 LEU 13 -11.934 3.348 -11.724 86 HD12 LEU 13 2HD1 LEU 13 -11.369 4.748 -10.767 87 HD13 LEU 13 3HD1 LEU 13 -13.043 4.175 -10.611 88 HD21 LEU 13 3HD2 LEU 13 -12.302 1.107 -8.732 89 HD22 LEU 13 1HD2 LEU 13 -12.522 1.174 -10.501 90 HD23 LEU 13 2HD2 LEU 13 -13.574 2.127 -9.431 91 H TYR 14 H TYR 14 -10.589 2.774 -6.667 92 HA TYR 14 HA TYR 14 -9.933 5.529 -6.379 93 HB2 TYR 14 1HB TYR 14 -11.892 4.256 -5.369 94 HB3 TYR 14 2HB TYR 14 -10.762 3.598 -4.180 95 HD1 TYR 14 HD1 TYR 14 -9.730 5.102 -2.453 96 HD2 TYR 14 HD2 TYR 14 -12.643 6.586 -5.262 97 HE1 TYR 14 HE1 TYR 14 -10.081 7.123 -1.037 98 HE2 TYR 14 HE2 TYR 14 -12.982 8.599 -3.833 99 HH TYR 14 HH TYR 14 -11.240 9.082 -0.770 100 H GLN 15 H GLN 15 -8.552 2.575 -4.891 101 HA GLN 15 HA GLN 15 -6.662 4.083 -3.275 102 HB2 GLN 15 1HB GLN 15 -6.795 1.163 -4.075 103 HB3 GLN 15 2HB GLN 15 -5.550 1.830 -3.021 104 HG2 GLN 15 1HG GLN 15 -8.542 1.825 -2.464 105 HG3 GLN 15 2HG GLN 15 -7.343 0.740 -1.740 106 HE21 GLN 15 2HE2 GLN 15 -9.218 2.928 -0.672 107 HE22 GLN 15 1HE2 GLN 15 -8.158 3.919 0.306 108 H LEU 16 H LEU 16 -6.590 2.421 -6.463 109 HA LEU 16 HA LEU 16 -3.807 2.727 -6.891 110 HB2 LEU 16 1HB LEU 16 -6.163 2.443 -8.682 111 HB3 LEU 16 2HB LEU 16 -4.677 3.082 -9.383 112 HG LEU 16 HG LEU 16 -3.482 1.045 -8.424 113 HD11 LEU 16 1HD1 LEU 16 -5.183 0.276 -6.860 114 HD12 LEU 16 2HD1 LEU 16 -4.888 -0.946 -8.112 115 HD13 LEU 16 3HD1 LEU 16 -6.344 0.071 -8.197 116 HD21 LEU 16 3HD2 LEU 16 -5.612 0.691 -10.552 117 HD22 LEU 16 1HD2 LEU 16 -4.190 -0.352 -10.308 118 HD23 LEU 16 2HD2 LEU 16 -3.974 1.341 -10.778 119 H GLU 17 H GLU 17 -6.417 5.115 -7.369 120 HA GLU 17 HA GLU 17 -4.756 7.040 -8.686 121 HB2 GLU 17 1HB GLU 17 -7.214 7.344 -6.944 122 HB3 GLU 17 2HB GLU 17 -6.400 8.725 -7.698 123 HG2 GLU 17 1HG GLU 17 -6.683 7.633 -9.926 124 HG3 GLU 17 2HG GLU 17 -7.605 6.353 -9.136 125 HE2 GLU 17 HE2 GLU 17 -8.287 8.109 -11.080 126 H ASN 18 H ASN 18 -5.008 6.166 -5.244 127 HA ASN 18 HA ASN 18 -3.615 8.564 -4.316 128 HB2 ASN 18 1HB ASN 18 -4.239 5.873 -3.059 129 HB3 ASN 18 2HB ASN 18 -3.224 7.061 -2.253 130 HD21 ASN 18 2HD2 ASN 18 -6.484 6.384 -3.407 131 HD22 ASN 18 1HD2 ASN 18 -7.242 7.647 -2.474 132 H TYR 19 H TYR 19 -2.672 5.732 -5.996 133 HA TYR 19 HA TYR 19 0.153 5.999 -5.075 134 HB2 TYR 19 1HB TYR 19 -1.050 3.907 -6.913 135 HB3 TYR 19 2HB TYR 19 0.516 3.859 -6.085 136 HD1 TYR 19 HD2 TYR 19 -0.402 4.733 -3.285 137 HD2 TYR 19 HD1 TYR 19 -2.092 1.959 -6.111 138 HE1 TYR 19 HE2 TYR 19 -1.549 3.539 -1.433 139 HE2 TYR 19 HE1 TYR 19 -3.220 0.759 -4.246 140 HH TYR 19 HH TYR 19 -3.109 1.905 -0.894 141 H CYS 20 H CYS 20 -1.771 7.521 -7.236 142 HA CYS 20 HA CYS 20 -0.306 7.125 -9.701 143 HB2 CYS 20 1HB CYS 20 -2.631 8.001 -9.537 144 HB3 CYS 20 2HB CYS 20 -2.005 9.483 -8.807 145 H ASN 21 H ASN 21 -0.149 9.508 -7.069 146 HA ASN 21 HA ASN 21 2.276 10.729 -8.307 147 HB2 ASN 21 1HB ASN 21 0.467 12.333 -7.641 148 HB3 ASN 21 2HB ASN 21 0.552 11.721 -5.983 149 HD21 ASN 21 2HD2 ASN 21 1.628 13.007 -4.672 150 HD22 ASN 21 1HD2 ASN 21 3.058 13.922 -5.111 151 HXT ASN 21 H02 ASN 21 4.280 9.256 -6.111 152 H1 PHE 1 2H0 PHE 1 -12.714 -0.174 -15.709 153 H2 PHE 1 1H0 PHE 1 -13.699 -1.463 -15.415 154 HA PHE 1 HA PHE 1 -11.481 -1.781 -14.406 155 HB2 PHE 1 1HB PHE 1 -11.271 0.743 -14.056 156 HB3 PHE 1 2HB PHE 1 -12.330 0.586 -12.680 157 HD1 PHE 1 HD2 PHE 1 -11.517 -1.232 -10.813 158 HD2 PHE 1 HD1 PHE 1 -8.979 0.627 -13.764 159 HE1 PHE 1 HE2 PHE 1 -9.528 -1.760 -9.454 160 HE2 PHE 1 HE1 PHE 1 -7.002 0.133 -12.367 161 HZ PHE 1 HZ PHE 1 -7.283 -1.088 -10.207 162 H VAL 2 H VAL 2 -11.563 -3.526 -13.278 163 HA VAL 2 HA VAL 2 -13.687 -3.788 -11.190 164 HB VAL 2 HB VAL 2 -12.223 -5.994 -12.699 165 HG11 VAL 2 1HG1 VAL 2 -12.840 -6.706 -10.433 166 HG12 VAL 2 2HG1 VAL 2 -14.499 -6.100 -10.656 167 HG13 VAL 2 3HG1 VAL 2 -13.909 -7.487 -11.609 168 HG21 VAL 2 3HG2 VAL 2 -15.075 -4.954 -12.970 169 HG22 VAL 2 1HG2 VAL 2 -13.788 -4.866 -14.185 170 HG23 VAL 2 2HG2 VAL 2 -14.457 -6.439 -13.724 171 H ASN 3 H ASN 3 -13.082 -4.131 -9.150 172 HA ASN 3 HA ASN 3 -10.292 -3.868 -8.414 173 HB2 ASN 3 1HB ASN 3 -11.087 -4.096 -6.113 174 HB3 ASN 3 2HB ASN 3 -12.104 -2.940 -6.989 175 HD21 ASN 3 2HD2 ASN 3 -14.252 -3.589 -7.599 176 HD22 ASN 3 1HD2 ASN 3 -15.030 -4.906 -6.744 177 H GLN 4 H GLN 4 -8.825 -5.434 -8.140 178 HA GLN 4 HA GLN 4 -9.518 -8.226 -7.606 179 HB2 GLN 4 1HB GLN 4 -8.765 -9.118 -9.756 180 HB3 GLN 4 2HB GLN 4 -10.118 -8.019 -10.025 181 HG2 GLN 4 1HG GLN 4 -8.395 -6.206 -10.572 182 HG3 GLN 4 2HG GLN 4 -7.195 -7.504 -10.586 183 HE21 GLN 4 2HE2 GLN 4 -10.042 -6.175 -12.123 184 HE22 GLN 4 1HE2 GLN 4 -9.878 -7.069 -13.627 185 H HIS 5 H HIS 5 -7.353 -9.537 -7.943 186 HA HIS 5 HA HIS 5 -5.204 -8.014 -6.688 187 HB2 HIS 5 1HB HIS 5 -5.339 -10.830 -7.834 188 HB3 HIS 5 2HB HIS 5 -3.897 -10.149 -7.067 189 HD1 HIS 5 HD1 HIS 5 -4.074 -9.535 -4.456 190 HD2 HIS 5 HD2 HIS 5 -7.248 -11.784 -6.047 191 HE1 HIS 5 HE1 HIS 5 -5.390 -10.469 -2.486 192 HE2 HIS 5 HE2 HIS 5 -7.250 -11.882 -3.455 193 H LEU 6 H LEU 6 -3.540 -7.022 -7.680 194 HA LEU 6 HA LEU 6 -3.069 -7.530 -10.594 195 HB2 LEU 6 1HB LEU 6 -3.538 -4.862 -9.211 196 HB3 LEU 6 2HB LEU 6 -2.770 -4.994 -10.791 197 HG LEU 6 HG LEU 6 -5.483 -6.197 -10.354 198 HD11 LEU 6 1HD1 LEU 6 -4.896 -3.274 -10.907 199 HD12 LEU 6 2HD1 LEU 6 -5.717 -3.953 -9.478 200 HD13 LEU 6 3HD1 LEU 6 -6.494 -4.046 -11.075 201 HD21 LEU 6 3HD2 LEU 6 -4.094 -4.950 -12.750 202 HD22 LEU 6 1HD2 LEU 6 -5.722 -5.663 -12.754 203 HD23 LEU 6 2HD2 LEU 6 -4.316 -6.690 -12.439 204 H CYS 7 H CYS 7 -0.890 -7.388 -11.111 205 HA CYS 7 HA CYS 7 0.963 -6.157 -9.210 206 HB2 CYS 7 1HB CYS 7 0.394 -8.699 -8.609 207 HB3 CYS 7 2HB CYS 7 1.612 -9.010 -9.854 208 H GLY 8 H GLY 8 3.271 -6.344 -10.033 209 HA2 GLY 8 1HA GLY 8 4.762 -5.914 -11.737 210 HA3 GLY 8 2HA GLY 8 3.982 -7.266 -12.556 211 H SER 9 H SER 9 4.049 -6.570 -14.625 212 HA SER 9 HA SER 9 3.509 -3.937 -15.500 213 HB2 SER 9 1HB SER 9 2.943 -6.454 -17.086 214 HB3 SER 9 2HB SER 9 3.472 -4.865 -17.689 215 HG SER 9 HG SER 9 5.258 -6.225 -17.585 216 H HIS 10 H HIS 10 1.263 -6.577 -14.669 217 HA HIS 10 HA HIS 10 -1.007 -5.400 -15.959 218 HB2 HIS 10 1HB HIS 10 -0.629 -7.799 -14.911 219 HB3 HIS 10 2HB HIS 10 -1.314 -7.026 -13.477 220 HD1 HIS 10 HD1 HIS 10 -3.178 -9.097 -14.383 221 HD2 HIS 10 HD2 HIS 10 -3.034 -5.380 -16.300 222 HE1 HIS 10 HE1 HIS 10 -5.379 -8.813 -15.627 223 HE2 HIS 10 HE2 HIS 10 -5.283 -6.579 -16.781 224 H LEU 11 H LEU 11 0.497 -5.047 -12.722 225 HA LEU 11 HA LEU 11 -1.506 -3.247 -11.650 226 HB2 LEU 11 1HB LEU 11 1.029 -4.249 -10.830 227 HB3 LEU 11 2HB LEU 11 1.119 -2.499 -10.778 228 HG LEU 11 HG LEU 11 -0.893 -4.235 -9.342 229 HD11 LEU 11 1HD1 LEU 11 1.414 -4.196 -8.414 230 HD12 LEU 11 2HD1 LEU 11 0.225 -3.459 -7.329 231 HD13 LEU 11 3HD1 LEU 11 1.314 -2.427 -8.301 232 HD21 LEU 11 3HD2 LEU 11 -1.563 -2.047 -8.240 233 HD22 LEU 11 1HD2 LEU 11 -2.082 -2.235 -9.921 234 HD23 LEU 11 2HD2 LEU 11 -0.675 -1.214 -9.537 235 H VAL 12 H VAL 12 1.541 -2.737 -13.498 236 HA VAL 12 HA VAL 12 1.401 0.117 -13.494 237 HB VAL 12 HB VAL 12 2.595 -1.756 -15.611 238 HG11 VAL 12 1HG1 VAL 12 3.132 1.208 -15.118 239 HG12 VAL 12 2HG1 VAL 12 3.976 0.166 -16.286 240 HG13 VAL 12 3HG1 VAL 12 2.265 0.526 -16.510 241 HG21 VAL 12 3HG2 VAL 12 3.879 -0.326 -13.222 242 HG22 VAL 12 1HG2 VAL 12 3.587 -2.075 -13.363 243 HG23 VAL 12 2HG2 VAL 12 4.746 -1.284 -14.442 244 H GLU 13 H GLU 13 0.016 -2.271 -15.798 245 HA GLU 13 HA GLU 13 -1.094 -0.352 -17.608 246 HB2 GLU 13 1HB GLU 13 -1.742 -3.202 -16.864 247 HB3 GLU 13 2HB GLU 13 -2.833 -2.297 -17.923 248 HG2 GLU 13 1HG GLU 13 -1.042 -1.891 -19.485 249 HG3 GLU 13 2HG GLU 13 0.116 -2.743 -18.447 250 HE2 GLU 13 HE2 GLU 13 -1.293 -5.831 -19.122 251 H ALA 14 H ALA 14 -2.451 -1.889 -14.650 252 HA ALA 14 HA ALA 14 -5.022 -0.646 -14.921 253 HB1 ALA 14 3HB ALA 14 -5.281 -1.191 -12.556 254 HB2 ALA 14 1HB ALA 14 -4.574 -2.555 -13.442 255 HB3 ALA 14 2HB ALA 14 -3.542 -1.523 -12.424 256 H LEU 15 H LEU 15 -2.018 0.410 -13.270 257 HA LEU 15 HA LEU 15 -3.164 2.798 -12.180 258 HB2 LEU 15 1HB LEU 15 -0.610 1.535 -12.306 259 HB3 LEU 15 2HB LEU 15 -0.417 3.208 -12.805 260 HG LEU 15 HG LEU 15 -1.723 2.344 -10.209 261 HD11 LEU 15 1HD1 LEU 15 1.062 3.391 -10.833 262 HD12 LEU 15 2HD1 LEU 15 0.646 1.766 -10.246 263 HD13 LEU 15 3HD1 LEU 15 0.396 3.183 -9.197 264 HD21 LEU 15 3HD2 LEU 15 -2.514 4.557 -10.975 265 HD22 LEU 15 1HD2 LEU 15 -0.843 5.082 -11.231 266 HD23 LEU 15 2HD2 LEU 15 -1.422 4.740 -9.589 267 H TYR 16 H TYR 16 -1.694 2.056 -15.337 268 HA TYR 16 HA TYR 16 -1.701 4.773 -16.290 269 HB2 TYR 16 1HB TYR 16 -0.397 3.084 -17.419 270 HB3 TYR 16 2HB TYR 16 -1.828 2.115 -17.738 271 HD1 TYR 16 HD2 TYR 16 -0.353 5.497 -18.445 272 HD2 TYR 16 HD1 TYR 16 -3.047 2.396 -19.740 273 HE1 TYR 16 HE2 TYR 16 -0.743 6.718 -20.595 274 HE2 TYR 16 HE1 TYR 16 -3.409 3.611 -21.886 275 HH TYR 16 HH TYR 16 -2.843 5.426 -23.172 276 H LEU 17 H LEU 17 -4.141 2.124 -16.442 277 HA LEU 17 HA LEU 17 -5.895 3.598 -18.175 278 HB2 LEU 17 1HB LEU 17 -6.385 1.326 -16.220 279 HB3 LEU 17 2HB LEU 17 -7.621 1.935 -17.327 280 HG LEU 17 HG LEU 17 -4.949 0.931 -18.346 281 HD11 LEU 17 1HD1 LEU 17 -5.935 -0.871 -16.988 282 HD12 LEU 17 2HD1 LEU 17 -5.946 -1.263 -18.718 283 HD13 LEU 17 3HD1 LEU 17 -7.449 -0.743 -17.914 284 HD21 LEU 17 3HD2 LEU 17 -6.304 2.218 -19.923 285 HD22 LEU 17 1HD2 LEU 17 -7.698 1.147 -19.617 286 HD23 LEU 17 2HD2 LEU 17 -6.226 0.504 -20.402 287 H VAL 18 H VAL 18 -5.668 3.313 -14.607 288 HA VAL 18 HA VAL 18 -8.036 4.948 -14.294 289 HB VAL 18 HB VAL 18 -7.452 3.167 -12.689 290 HG11 VAL 18 1HG1 VAL 18 -5.304 4.994 -11.612 291 HG12 VAL 18 2HG1 VAL 18 -5.714 3.322 -11.154 292 HG13 VAL 18 3HG1 VAL 18 -4.992 3.644 -12.718 293 HG21 VAL 18 3HG2 VAL 18 -7.904 4.436 -10.620 294 HG22 VAL 18 1HG2 VAL 18 -7.569 5.939 -11.478 295 HG23 VAL 18 2HG2 VAL 18 -8.955 4.944 -11.963 296 H CYS 19 H CYS 19 -4.558 5.659 -14.264 297 HA CYS 19 HA CYS 19 -5.297 8.507 -13.655 298 HB2 CYS 19 1HB CYS 19 -3.865 7.045 -11.986 299 HB3 CYS 19 2HB CYS 19 -2.560 7.464 -13.100 300 H GLY 20 H GLY 20 -2.930 6.503 -15.501 301 HA2 GLY 20 1HA GLY 20 -1.594 8.685 -16.672 302 HA3 GLY 20 2HA GLY 20 -1.709 7.071 -17.375 303 H GLU 21 H GLU 21 -4.493 6.945 -17.809 304 HA GLU 21 HA GLU 21 -4.719 8.482 -20.251 305 HB2 GLU 21 1HB GLU 21 -6.721 6.828 -18.677 306 HB3 GLU 21 2HB GLU 21 -7.045 7.529 -20.269 307 HG2 GLU 21 1HG GLU 21 -5.104 6.254 -21.183 308 HG3 GLU 21 2HG GLU 21 -4.893 5.477 -19.611 309 HE2 GLU 21 HE2 GLU 21 -5.503 4.531 -22.124 310 H ARG 22 H ARG 22 -5.597 9.117 -16.947 311 HA ARG 22 HA ARG 22 -7.626 11.146 -17.616 312 HB2 ARG 22 1HB ARG 22 -6.304 10.151 -15.082 313 HB3 ARG 22 2HB ARG 22 -7.292 11.610 -15.071 314 HG2 ARG 22 1HG ARG 22 -8.398 9.099 -16.287 315 HG3 ARG 22 2HG ARG 22 -8.352 9.281 -14.511 316 HD2 ARG 22 1HD ARG 22 -9.300 11.587 -16.119 317 HD3 ARG 22 2HD ARG 22 -10.394 10.194 -15.976 318 HE ARG 22 HE ARG 22 -9.515 11.999 -13.810 319 HH11 ARG 22 1HH1 ARG 22 -11.178 8.978 -14.578 320 HH12 ARG 22 2HH1 ARG 22 -11.968 8.911 -13.023 321 HH21 ARG 22 1HH2 ARG 22 -10.552 11.841 -11.856 322 HH22 ARG 22 2HH2 ARG 22 -11.606 10.500 -11.516 323 H GLY 23 H GLY 23 -4.321 10.943 -16.520 324 HA2 GLY 23 1HA GLY 23 -2.957 12.849 -17.672 325 HA3 GLY 23 2HA GLY 23 -4.018 13.901 -16.709 326 H GLY 24 H GLY 24 -1.309 11.694 -16.673 327 HA2 GLY 24 1HA GLY 24 0.270 12.535 -14.789 328 HA3 GLY 24 2HA GLY 24 -1.046 12.036 -13.718 329 H PHE 25 H PHE 25 1.828 11.100 -15.190 330 HA PHE 25 HA PHE 25 1.535 8.402 -14.121 331 HB2 PHE 25 1HB PHE 25 0.659 8.527 -16.628 332 HB3 PHE 25 2HB PHE 25 2.384 8.574 -17.017 333 HD1 PHE 25 HD1 PHE 25 0.280 6.673 -14.508 334 HD2 PHE 25 HD2 PHE 25 3.122 6.468 -17.739 335 HE1 PHE 25 HE1 PHE 25 0.347 4.219 -14.301 336 HE2 PHE 25 HE2 PHE 25 3.188 3.983 -17.528 337 HZ PHE 25 HZ PHE 25 1.784 2.863 -15.801 338 H TYR 26 H TYR 26 3.656 7.353 -14.004 339 HA TYR 26 HA TYR 26 5.870 9.358 -14.123 340 HB2 TYR 26 1HB TYR 26 6.911 7.959 -12.363 341 HB3 TYR 26 2HB TYR 26 5.329 8.581 -11.874 342 HD1 TYR 26 HD2 TYR 26 7.141 5.521 -13.008 343 HD2 TYR 26 HD1 TYR 26 3.451 7.104 -11.440 344 HE1 TYR 26 HE2 TYR 26 6.317 3.217 -12.593 345 HE2 TYR 26 HE1 TYR 26 2.649 4.787 -11.023 346 HH TYR 26 HH TYR 26 4.651 1.918 -11.775 347 H NVA 27 H ARX 27 4.650 6.805 -15.743 348 HA NVA 27 HA ARX 27 5.347 5.027 -16.976 349 HB2 NVA 27 1HB ARX 27 5.502 7.323 -18.313 350 HB3 NVA 27 2HB ARX 27 7.197 6.870 -18.456 351 HG2 NVA 27 1HG ARX 27 6.009 4.441 -19.130 352 HG3 NVA 27 2HG ARX 27 4.717 5.535 -19.587 353 HD2 NVA 27 1HD ARX 27 5.964 5.211 -21.539 354 HD3 NVA 27 2HD ARX 27 6.491 6.815 -21.007 355 HA PRO 28 HA PRO 28 9.273 3.478 -15.228 356 HB2 PRO 28 1HB PRO 28 8.542 0.887 -14.818 357 HB3 PRO 28 2HB PRO 28 7.967 2.224 -13.757 358 HG2 PRO 28 1HG PRO 28 6.548 0.894 -16.065 359 HG3 PRO 28 2HG PRO 28 5.938 1.254 -14.421 360 HD2 PRO 28 1HD PRO 28 5.482 2.833 -16.631 361 HD3 PRO 28 2HD PRO 28 5.521 3.475 -14.954 362 H HIX 29 H HIX 29 10.016 4.008 -17.418 363 HA HIX 29 HA HIX 29 9.898 2.096 -19.581 364 HB1 HIX 29 1HB HIX 29 11.521 4.647 -19.160 365 HB2 HIX 29 2HB HIX 29 11.801 3.601 -20.546 366 HD2 HIX 29 HD2 HIX 29 8.308 4.714 -18.903 367 HD1 HIX 29 HD1 HIX 29 10.368 4.691 -22.573 368 H THR 30 H THR 30 10.847 0.357 -19.898 369 HA THR 30 HA THR 30 13.657 -0.153 -19.109 370 HB THR 30 HB THR 30 13.074 -2.414 -18.207 371 HG1 THR 30 HG1 THR 30 10.859 -2.140 -19.309 372 HG21 THR 30 1HG2 THR 30 13.363 -0.465 -16.587 373 HG22 THR 30 2HG2 THR 30 12.286 -1.743 -15.983 374 HG23 THR 30 3HG2 THR 30 11.602 -0.239 -16.627 375 HXT THR 30 H02 THR 30 13.804 -1.840 -21.951 Start of MODEL 5 1 H1 GLY 1 2H0 GLY 1 1.142 -0.582 1.544 2 H2 GLY 1 1H0 GLY 1 2.412 -1.582 1.266 3 HA2 GLY 1 1HA GLY 1 1.932 1.016 -0.131 4 HA3 GLY 1 2HA GLY 1 3.291 -0.085 -0.465 5 H ILE 2 H ILE 2 2.197 0.573 -2.586 6 HA ILE 2 HA ILE 2 -0.240 -0.480 -3.458 7 HB ILE 2 HB ILE 2 1.150 1.159 -4.730 8 HG12 ILE 2 1HG1 ILE 2 0.931 0.054 -7.048 9 HG13 ILE 2 2HG1 ILE 2 0.311 -1.353 -6.202 10 HG21 ILE 2 1HG2 ILE 2 2.928 -1.198 -5.559 11 HG22 ILE 2 2HG2 ILE 2 3.085 0.500 -6.086 12 HG23 ILE 2 3HG2 ILE 2 3.392 0.059 -4.389 13 HD11 ILE 2 3HD1 ILE 2 -1.484 0.134 -5.231 14 HD12 ILE 2 1HD1 ILE 2 -0.876 1.414 -6.311 15 HD13 ILE 2 2HD1 ILE 2 -1.537 -0.074 -6.982 16 H VAL 3 H VAL 3 2.878 -2.166 -3.205 17 HA VAL 3 HA VAL 3 2.097 -4.445 -4.746 18 HB VAL 3 HB VAL 3 4.153 -4.146 -2.514 19 HG11 VAL 3 1HG1 VAL 3 5.200 -6.205 -3.516 20 HG12 VAL 3 2HG1 VAL 3 3.620 -6.540 -2.802 21 HG13 VAL 3 3HG1 VAL 3 3.782 -6.390 -4.571 22 HG21 VAL 3 3HG2 VAL 3 4.621 -2.689 -4.421 23 HG22 VAL 3 1HG2 VAL 3 5.787 -4.021 -4.404 24 HG23 VAL 3 2HG2 VAL 3 4.423 -4.043 -5.551 25 H GLU 4 H GLU 4 1.944 -3.778 -1.205 26 HA GLU 4 HA GLU 4 0.834 -6.415 -0.679 27 HB2 GLU 4 1HB GLU 4 1.039 -3.895 0.985 28 HB3 GLU 4 2HB GLU 4 0.368 -5.420 1.581 29 HG2 GLU 4 1HG GLU 4 2.511 -6.553 1.097 30 HG3 GLU 4 2HG GLU 4 3.195 -5.018 0.541 31 HE2 GLU 4 HE2 GLU 4 3.393 -5.924 4.234 32 H GLN 5 H GLN 5 -0.441 -3.227 -1.394 33 HA GLN 5 HA GLN 5 -3.136 -3.835 -0.579 34 HB2 GLN 5 1HB GLN 5 -2.172 -1.542 -0.768 35 HB3 GLN 5 2HB GLN 5 -2.191 -1.715 -2.525 36 HG2 GLN 5 1HG GLN 5 -4.137 -0.443 -1.821 37 HG3 GLN 5 2HG GLN 5 -4.664 -1.998 -2.448 38 HE21 GLN 5 2HE2 GLN 5 -5.969 -3.269 -1.232 39 HE22 GLN 5 1HE2 GLN 5 -6.297 -2.965 0.457 40 H CYS 6 H CYS 6 -1.432 -3.990 -3.742 41 HA CYS 6 HA CYS 6 -3.974 -4.960 -4.944 42 HB2 CYS 6 1HB CYS 6 -1.407 -3.898 -6.145 43 HB3 CYS 6 2HB CYS 6 -2.738 -4.572 -7.095 44 H CYS 7 H CYS 7 -0.529 -6.002 -4.614 45 HA CYS 7 HA CYS 7 -1.096 -8.271 -6.391 46 HB2 CYS 7 1HB CYS 7 1.149 -7.059 -6.158 47 HB3 CYS 7 2HB CYS 7 1.334 -7.903 -4.621 48 H THR 8 H THR 8 -0.212 -7.786 -2.954 49 HA THR 8 HA THR 8 -0.874 -10.470 -2.179 50 HB THR 8 HB THR 8 -0.672 -7.948 -0.481 51 HG1 THR 8 HG1 THR 8 1.356 -9.831 -1.107 52 HG21 THR 8 1HG2 THR 8 0.079 -9.533 1.275 53 HG22 THR 8 2HG2 THR 8 -0.312 -10.892 0.205 54 HG23 THR 8 3HG2 THR 8 -1.599 -9.817 0.803 55 H SER 9 H SER 9 -2.674 -7.366 -1.903 56 HA SER 9 HA SER 9 -5.066 -8.977 -1.089 57 HB2 SER 9 1HB SER 9 -4.666 -6.026 -0.602 58 HB3 SER 9 2HB SER 9 -5.803 -7.139 0.191 59 HG SER 9 HG SER 9 -3.008 -6.868 0.511 60 H ILE 10 H ILE 10 -7.097 -7.330 -1.465 61 HA ILE 10 HA ILE 10 -7.249 -7.037 -4.409 62 HB ILE 10 HB ILE 10 -9.337 -6.758 -2.182 63 HG12 ILE 10 1HG1 ILE 10 -8.561 -9.090 -2.543 64 HG13 ILE 10 2HG1 ILE 10 -10.258 -8.845 -2.935 65 HG21 ILE 10 1HG2 ILE 10 -11.011 -6.823 -4.107 66 HG22 ILE 10 2HG2 ILE 10 -10.059 -5.329 -3.979 67 HG23 ILE 10 3HG2 ILE 10 -9.643 -6.536 -5.206 68 HD11 ILE 10 3HD1 ILE 10 -8.016 -9.007 -4.989 69 HD12 ILE 10 1HD1 ILE 10 -9.127 -10.329 -4.564 70 HD13 ILE 10 2HD1 ILE 10 -9.755 -8.860 -5.337 71 H CYS 11 H CYS 11 -7.381 -5.031 -5.417 72 HA CYS 11 HA CYS 11 -7.756 -2.662 -3.663 73 HB2 CYS 11 1HB CYS 11 -5.980 -1.457 -4.684 74 HB3 CYS 11 2HB CYS 11 -5.336 -2.986 -4.079 75 H SER 12 H SER 12 -8.361 -0.752 -4.773 76 HA SER 12 HA SER 12 -9.878 -1.338 -7.309 77 HB2 SER 12 1HB SER 12 -11.322 -1.140 -5.277 78 HB3 SER 12 2HB SER 12 -10.696 0.494 -5.013 79 HG SER 12 HG SER 12 -12.735 0.309 -6.188 80 H LEU 13 H LEU 13 -10.370 0.662 -8.541 81 HA LEU 13 HA LEU 13 -8.038 2.116 -9.185 82 HB2 LEU 13 1HB LEU 13 -9.399 3.399 -10.647 83 HB3 LEU 13 2HB LEU 13 -9.913 1.736 -10.733 84 HG LEU 13 HG LEU 13 -11.460 3.660 -9.012 85 HD11 LEU 13 1HD1 LEU 13 -11.132 4.872 -11.103 86 HD12 LEU 13 2HD1 LEU 13 -12.802 4.281 -10.981 87 HD13 LEU 13 3HD1 LEU 13 -11.642 3.432 -12.039 88 HD21 LEU 13 3HD2 LEU 13 -12.164 1.324 -8.937 89 HD22 LEU 13 1HD2 LEU 13 -12.235 1.262 -10.719 90 HD23 LEU 13 2HD2 LEU 13 -13.379 2.275 -9.804 91 H TYR 14 H TYR 14 -10.621 2.779 -6.917 92 HA TYR 14 HA TYR 14 -10.213 5.540 -6.452 93 HB2 TYR 14 1HB TYR 14 -12.135 4.153 -5.652 94 HB3 TYR 14 2HB TYR 14 -11.047 3.345 -4.507 95 HD1 TYR 14 HD1 TYR 14 -12.532 6.672 -5.395 96 HD2 TYR 14 HD2 TYR 14 -10.538 4.310 -2.382 97 HE1 TYR 14 HE1 TYR 14 -13.001 8.441 -3.683 98 HE2 TYR 14 HE2 TYR 14 -11.010 6.089 -0.691 99 HH TYR 14 HH TYR 14 -11.966 8.129 -0.291 100 H GLN 15 H GLN 15 -8.669 2.639 -4.974 101 HA GLN 15 HA GLN 15 -7.025 4.284 -3.204 102 HB2 GLN 15 1HB GLN 15 -6.829 1.381 -4.071 103 HB3 GLN 15 2HB GLN 15 -5.827 2.132 -2.827 104 HG2 GLN 15 1HG GLN 15 -7.738 2.490 -1.404 105 HG3 GLN 15 2HG GLN 15 -8.860 2.022 -2.680 106 HE21 GLN 15 2HE2 GLN 15 -7.572 0.974 0.106 107 HE22 GLN 15 1HE2 GLN 15 -7.580 -0.750 -0.202 108 H LEU 16 H LEU 16 -6.693 2.655 -6.366 109 HA LEU 16 HA LEU 16 -3.933 2.937 -6.724 110 HB2 LEU 16 1HB LEU 16 -6.224 2.442 -8.361 111 HB3 LEU 16 2HB LEU 16 -5.000 3.391 -9.235 112 HG LEU 16 HG LEU 16 -3.310 1.669 -8.438 113 HD11 LEU 16 1HD1 LEU 16 -4.242 -0.573 -7.901 114 HD12 LEU 16 2HD1 LEU 16 -5.840 0.175 -7.703 115 HD13 LEU 16 3HD1 LEU 16 -4.495 0.634 -6.631 116 HD21 LEU 16 3HD2 LEU 16 -5.558 0.661 -10.192 117 HD22 LEU 16 1HD2 LEU 16 -3.868 0.083 -10.162 118 HD23 LEU 16 2HD2 LEU 16 -4.238 1.730 -10.707 119 H GLU 17 H GLU 17 -6.462 5.373 -7.346 120 HA GLU 17 HA GLU 17 -4.727 7.263 -8.600 121 HB2 GLU 17 1HB GLU 17 -7.182 7.702 -6.872 122 HB3 GLU 17 2HB GLU 17 -6.294 8.997 -7.676 123 HG2 GLU 17 1HG GLU 17 -6.602 7.602 -9.818 124 HG3 GLU 17 2HG GLU 17 -7.868 6.753 -8.921 125 HE2 GLU 17 HE2 GLU 17 -8.867 9.845 -10.745 126 H ASN 18 H ASN 18 -5.055 6.438 -5.134 127 HA ASN 18 HA ASN 18 -3.668 8.840 -4.258 128 HB2 ASN 18 1HB ASN 18 -4.105 6.167 -2.893 129 HB3 ASN 18 2HB ASN 18 -3.400 7.593 -2.114 130 HD21 ASN 18 2HD2 ASN 18 -6.020 5.949 -1.905 131 HD22 ASN 18 1HD2 ASN 18 -7.240 7.199 -1.844 132 H TYR 19 H TYR 19 -2.643 5.839 -5.683 133 HA TYR 19 HA TYR 19 0.134 6.191 -4.690 134 HB2 TYR 19 1HB TYR 19 -1.108 4.198 -6.617 135 HB3 TYR 19 2HB TYR 19 0.575 4.167 -6.057 136 HD1 TYR 19 HD1 TYR 19 0.924 4.017 -3.444 137 HD2 TYR 19 HD2 TYR 19 -2.736 3.019 -5.451 138 HE1 TYR 19 HE1 TYR 19 0.225 2.630 -1.496 139 HE2 TYR 19 HE2 TYR 19 -3.444 1.633 -3.534 140 HH TYR 19 HH TYR 19 -2.888 0.939 -1.359 141 H CYS 20 H CYS 20 -1.832 7.544 -7.030 142 HA CYS 20 HA CYS 20 0.373 7.827 -9.013 143 HB2 CYS 20 1HB CYS 20 -2.019 7.212 -9.683 144 HB3 CYS 20 2HB CYS 20 -2.467 8.862 -9.212 145 H ASN 21 H ASN 21 -1.095 9.323 -6.339 146 HA ASN 21 HA ASN 21 -0.519 12.085 -7.165 147 HB2 ASN 21 1HB ASN 21 -1.624 10.915 -4.564 148 HB3 ASN 21 2HB ASN 21 -1.364 12.638 -4.839 149 HD21 ASN 21 2HD2 ASN 21 -3.828 11.087 -4.317 150 HD22 ASN 21 1HD2 ASN 21 -4.884 11.469 -5.646 151 HXT ASN 21 H02 ASN 21 2.338 12.566 -5.545 152 H1 PHE 1 2H0 PHE 1 -12.252 -0.567 -15.948 153 H2 PHE 1 1H0 PHE 1 -13.309 -1.801 -15.670 154 HA PHE 1 HA PHE 1 -11.237 -2.064 -14.339 155 HB2 PHE 1 1HB PHE 1 -11.064 0.501 -14.213 156 HB3 PHE 1 2HB PHE 1 -12.229 0.428 -12.909 157 HD1 PHE 1 HD2 PHE 1 -11.538 -1.355 -10.935 158 HD2 PHE 1 HD1 PHE 1 -8.803 0.534 -13.672 159 HE1 PHE 1 HE2 PHE 1 -9.677 -1.796 -9.385 160 HE2 PHE 1 HE1 PHE 1 -6.957 0.164 -12.076 161 HZ PHE 1 HZ PHE 1 -7.387 -1.032 -9.925 162 H VAL 2 H VAL 2 -11.554 -3.717 -13.123 163 HA VAL 2 HA VAL 2 -13.748 -3.569 -11.095 164 HB VAL 2 HB VAL 2 -14.234 -5.277 -12.878 165 HG11 VAL 2 1HG1 VAL 2 -12.943 -7.354 -12.964 166 HG12 VAL 2 2HG1 VAL 2 -11.918 -5.965 -13.396 167 HG13 VAL 2 3HG1 VAL 2 -11.780 -6.716 -11.779 168 HG21 VAL 2 3HG2 VAL 2 -14.873 -7.055 -11.356 169 HG22 VAL 2 1HG2 VAL 2 -13.711 -6.503 -10.137 170 HG23 VAL 2 2HG2 VAL 2 -15.109 -5.491 -10.551 171 H ASN 3 H ASN 3 -13.212 -4.319 -9.041 172 HA ASN 3 HA ASN 3 -10.404 -3.939 -8.340 173 HB2 ASN 3 1HB ASN 3 -11.140 -4.244 -6.048 174 HB3 ASN 3 2HB ASN 3 -12.269 -3.162 -6.877 175 HD21 ASN 3 2HD2 ASN 3 -14.383 -3.895 -7.376 176 HD22 ASN 3 1HD2 ASN 3 -15.049 -5.305 -6.588 177 H GLN 4 H GLN 4 -8.902 -5.481 -7.975 178 HA GLN 4 HA GLN 4 -9.510 -8.315 -7.696 179 HB2 GLN 4 1HB GLN 4 -8.547 -9.007 -9.839 180 HB3 GLN 4 2HB GLN 4 -9.976 -8.003 -10.110 181 HG2 GLN 4 1HG GLN 4 -8.384 -6.019 -10.403 182 HG3 GLN 4 2HG GLN 4 -7.075 -7.209 -10.445 183 HE21 GLN 4 2HE2 GLN 4 -9.442 -5.562 -12.199 184 HE22 GLN 4 1HE2 GLN 4 -9.261 -6.436 -13.711 185 H HIS 5 H HIS 5 -7.249 -9.493 -8.182 186 HA HIS 5 HA HIS 5 -5.166 -7.981 -6.742 187 HB2 HIS 5 1HB HIS 5 -5.240 -10.783 -7.927 188 HB3 HIS 5 2HB HIS 5 -3.816 -10.084 -7.142 189 HD1 HIS 5 HD1 HIS 5 -4.018 -9.511 -4.550 190 HD2 HIS 5 HD2 HIS 5 -7.137 -11.806 -6.155 191 HE1 HIS 5 HE1 HIS 5 -5.302 -10.489 -2.572 192 HE2 HIS 5 HE2 HIS 5 -7.141 -11.936 -3.558 193 H LEU 6 H LEU 6 -3.478 -6.991 -7.703 194 HA LEU 6 HA LEU 6 -3.016 -7.424 -10.635 195 HB2 LEU 6 1HB LEU 6 -3.384 -4.786 -9.165 196 HB3 LEU 6 2HB LEU 6 -2.671 -4.921 -10.767 197 HG LEU 6 HG LEU 6 -5.397 -6.031 -10.251 198 HD11 LEU 6 1HD1 LEU 6 -4.694 -3.142 -10.773 199 HD12 LEU 6 2HD1 LEU 6 -5.567 -3.810 -9.379 200 HD13 LEU 6 3HD1 LEU 6 -6.323 -3.827 -10.984 201 HD21 LEU 6 3HD2 LEU 6 -4.067 -4.843 -12.710 202 HD22 LEU 6 1HD2 LEU 6 -5.717 -5.484 -12.635 203 HD23 LEU 6 2HD2 LEU 6 -4.345 -6.568 -12.380 204 H CYS 7 H CYS 7 -0.888 -7.425 -11.147 205 HA CYS 7 HA CYS 7 1.084 -6.471 -9.155 206 HB2 CYS 7 1HB CYS 7 0.290 -9.034 -8.946 207 HB3 CYS 7 2HB CYS 7 1.508 -9.245 -10.207 208 H GLY 8 H GLY 8 3.316 -6.512 -10.071 209 HA2 GLY 8 1HA GLY 8 4.760 -5.889 -11.761 210 HA3 GLY 8 2HA GLY 8 4.041 -7.261 -12.606 211 H SER 9 H SER 9 3.998 -6.593 -14.650 212 HA SER 9 HA SER 9 3.480 -3.947 -15.549 213 HB2 SER 9 1HB SER 9 3.006 -5.131 -17.732 214 HB3 SER 9 2HB SER 9 4.573 -5.509 -16.989 215 HG SER 9 HG SER 9 3.441 -7.402 -17.683 216 H HIS 10 H HIS 10 1.237 -6.603 -14.732 217 HA HIS 10 HA HIS 10 -1.035 -5.402 -15.968 218 HB2 HIS 10 1HB HIS 10 -0.600 -7.802 -14.887 219 HB3 HIS 10 2HB HIS 10 -1.384 -7.029 -13.495 220 HD1 HIS 10 HD1 HIS 10 -3.085 -9.222 -14.572 221 HD2 HIS 10 HD2 HIS 10 -3.050 -5.436 -16.364 222 HE1 HIS 10 HE1 HIS 10 -5.235 -9.015 -15.914 223 HE2 HIS 10 HE2 HIS 10 -5.194 -6.733 -16.992 224 H LEU 11 H LEU 11 0.511 -5.065 -12.775 225 HA LEU 11 HA LEU 11 -1.539 -3.349 -11.670 226 HB2 LEU 11 1HB LEU 11 0.823 -4.475 -10.751 227 HB3 LEU 11 2HB LEU 11 1.248 -2.787 -10.848 228 HG LEU 11 HG LEU 11 -1.026 -3.953 -9.241 229 HD11 LEU 11 1HD1 LEU 11 1.216 -4.423 -8.348 230 HD12 LEU 11 2HD1 LEU 11 0.366 -3.268 -7.313 231 HD13 LEU 11 3HD1 LEU 11 1.632 -2.695 -8.431 232 HD21 LEU 11 3HD2 LEU 11 -1.292 -1.728 -8.284 233 HD22 LEU 11 1HD2 LEU 11 -1.639 -1.707 -10.017 234 HD23 LEU 11 2HD2 LEU 11 -0.087 -1.071 -9.420 235 H VAL 12 H VAL 12 1.517 -2.737 -13.472 236 HA VAL 12 HA VAL 12 1.298 0.118 -13.373 237 HB VAL 12 HB VAL 12 2.578 -1.610 -15.546 238 HG11 VAL 12 1HG1 VAL 12 3.008 1.341 -14.886 239 HG12 VAL 12 2HG1 VAL 12 3.911 0.400 -16.090 240 HG13 VAL 12 3HG1 VAL 12 2.183 0.713 -16.337 241 HG21 VAL 12 3HG2 VAL 12 4.707 -1.108 -14.334 242 HG22 VAL 12 1HG2 VAL 12 3.755 -0.315 -13.049 243 HG23 VAL 12 2HG2 VAL 12 3.569 -2.057 -13.359 244 H GLU 13 H GLU 13 -0.007 -2.282 -15.686 245 HA GLU 13 HA GLU 13 -1.156 -0.412 -17.510 246 HB2 GLU 13 1HB GLU 13 -1.847 -3.218 -16.676 247 HB3 GLU 13 2HB GLU 13 -2.860 -2.362 -17.836 248 HG2 GLU 13 1HG GLU 13 -1.212 -2.337 -19.474 249 HG3 GLU 13 2HG GLU 13 0.092 -2.563 -18.297 250 HE2 GLU 13 HE2 GLU 13 0.540 -4.005 -19.936 251 H ALA 14 H ALA 14 -2.509 -1.902 -14.508 252 HA ALA 14 HA ALA 14 -5.074 -0.654 -14.804 253 HB1 ALA 14 3HB ALA 14 -4.602 -2.526 -13.268 254 HB2 ALA 14 1HB ALA 14 -3.586 -1.445 -12.281 255 HB3 ALA 14 2HB ALA 14 -5.332 -1.148 -12.429 256 H LEU 15 H LEU 15 -2.098 0.426 -13.148 257 HA LEU 15 HA LEU 15 -3.204 2.875 -12.156 258 HB2 LEU 15 1HB LEU 15 -0.550 1.652 -12.519 259 HB3 LEU 15 2HB LEU 15 -0.546 3.402 -12.624 260 HG LEU 15 HG LEU 15 -1.753 1.912 -10.282 261 HD11 LEU 15 1HD1 LEU 15 0.317 2.437 -9.071 262 HD12 LEU 15 2HD1 LEU 15 1.035 3.091 -10.556 263 HD13 LEU 15 3HD1 LEU 15 0.627 1.366 -10.453 264 HD21 LEU 15 3HD2 LEU 15 -0.877 4.823 -10.673 265 HD22 LEU 15 1HD2 LEU 15 -1.473 4.126 -9.150 266 HD23 LEU 15 2HD2 LEU 15 -2.551 4.236 -10.553 267 H TYR 16 H TYR 16 -1.669 2.032 -15.270 268 HA TYR 16 HA TYR 16 -1.658 4.717 -16.309 269 HB2 TYR 16 1HB TYR 16 -0.349 3.134 -17.487 270 HB3 TYR 16 2HB TYR 16 -1.669 1.955 -17.534 271 HD1 TYR 16 HD1 TYR 16 -0.583 5.273 -18.912 272 HD2 TYR 16 HD2 TYR 16 -3.231 1.912 -19.341 273 HE1 TYR 16 HE1 TYR 16 -1.314 6.128 -21.142 274 HE2 TYR 16 HE2 TYR 16 -3.955 2.773 -21.570 275 HH TYR 16 HH TYR 16 -2.629 5.771 -22.975 276 H LEU 17 H LEU 17 -4.118 2.090 -16.343 277 HA LEU 17 HA LEU 17 -5.814 3.477 -18.165 278 HB2 LEU 17 1HB LEU 17 -6.352 1.290 -16.139 279 HB3 LEU 17 2HB LEU 17 -7.591 1.887 -17.251 280 HG LEU 17 HG LEU 17 -4.956 0.799 -18.255 281 HD11 LEU 17 1HD1 LEU 17 -5.977 -0.942 -16.868 282 HD12 LEU 17 2HD1 LEU 17 -6.066 -1.371 -18.581 283 HD13 LEU 17 3HD1 LEU 17 -7.521 -0.758 -17.756 284 HD21 LEU 17 3HD2 LEU 17 -7.683 1.107 -19.545 285 HD22 LEU 17 1HD2 LEU 17 -6.254 0.351 -20.302 286 HD23 LEU 17 2HD2 LEU 17 -6.232 2.070 -19.880 287 H VAL 18 H VAL 18 -5.688 3.377 -14.596 288 HA VAL 18 HA VAL 18 -8.004 5.136 -14.463 289 HB VAL 18 HB VAL 18 -7.642 3.505 -12.665 290 HG11 VAL 18 1HG1 VAL 18 -5.144 3.595 -12.695 291 HG12 VAL 18 2HG1 VAL 18 -5.235 5.126 -11.795 292 HG13 VAL 18 3HG1 VAL 18 -5.874 3.616 -11.098 293 HG21 VAL 18 3HG2 VAL 18 -7.914 4.975 -10.704 294 HG22 VAL 18 1HG2 VAL 18 -7.367 6.352 -11.668 295 HG23 VAL 18 2HG2 VAL 18 -8.887 5.517 -12.089 296 H CYS 19 H CYS 19 -4.486 5.634 -14.286 297 HA CYS 19 HA CYS 19 -5.045 8.526 -13.753 298 HB2 CYS 19 1HB CYS 19 -3.729 7.005 -12.125 299 HB3 CYS 19 2HB CYS 19 -2.411 7.166 -13.279 300 H GLY 20 H GLY 20 -2.990 6.431 -15.829 301 HA2 GLY 20 1HA GLY 20 -1.545 8.649 -16.955 302 HA3 GLY 20 2HA GLY 20 -1.691 7.022 -17.661 303 H GLU 21 H GLU 21 -4.483 6.871 -17.936 304 HA GLU 21 HA GLU 21 -4.944 8.416 -20.334 305 HB2 GLU 21 1HB GLU 21 -6.899 6.869 -18.580 306 HB3 GLU 21 2HB GLU 21 -7.217 7.439 -20.226 307 HG2 GLU 21 1HG GLU 21 -5.320 6.014 -21.043 308 HG3 GLU 21 2HG GLU 21 -5.205 5.326 -19.415 309 HE2 GLU 21 HE2 GLU 21 -7.572 5.019 -18.698 310 H ARG 22 H ARG 22 -5.101 9.318 -17.073 311 HA ARG 22 HA ARG 22 -7.336 11.253 -17.494 312 HB2 ARG 22 1HB ARG 22 -6.680 9.527 -15.434 313 HB3 ARG 22 2HB ARG 22 -6.025 11.051 -14.844 314 HG2 ARG 22 1HG ARG 22 -8.899 10.639 -15.776 315 HG3 ARG 22 2HG ARG 22 -8.372 10.531 -14.089 316 HD2 ARG 22 1HD ARG 22 -8.108 12.976 -15.857 317 HD3 ARG 22 2HD ARG 22 -9.352 12.735 -14.607 318 HE ARG 22 HE ARG 22 -6.896 12.350 -13.330 319 HH11 ARG 22 1HH1 ARG 22 -8.397 15.033 -15.041 320 HH12 ARG 22 2HH1 ARG 22 -7.512 16.233 -14.142 321 HH21 ARG 22 1HH2 ARG 22 -5.795 13.924 -12.214 322 HH22 ARG 22 2HH2 ARG 22 -6.048 15.607 -12.579 323 H GLY 23 H GLY 23 -4.004 11.112 -17.797 324 HA2 GLY 23 1HA GLY 23 -2.571 12.908 -18.263 325 HA3 GLY 23 2HA GLY 23 -3.812 14.047 -17.699 326 H GLY 24 H GLY 24 -1.276 11.767 -16.685 327 HA2 GLY 24 1HA GLY 24 -0.202 13.397 -14.697 328 HA3 GLY 24 2HA GLY 24 -1.360 12.290 -13.895 329 H PHE 25 H PHE 25 -0.262 10.691 -13.103 330 HA PHE 25 HA PHE 25 0.936 8.793 -12.892 331 HB2 PHE 25 1HB PHE 25 -0.362 8.308 -15.025 332 HB3 PHE 25 2HB PHE 25 1.121 8.656 -15.908 333 HD1 PHE 25 HD2 PHE 25 0.515 6.782 -12.683 334 HD2 PHE 25 HD1 PHE 25 1.901 6.638 -16.763 335 HE1 PHE 25 HE2 PHE 25 1.275 4.469 -12.340 336 HE2 PHE 25 HE1 PHE 25 2.648 4.286 -16.418 337 HZ PHE 25 HZ PHE 25 2.350 3.205 -14.190 338 H TYR 26 H TYR 26 3.084 7.654 -13.324 339 HA TYR 26 HA TYR 26 5.153 9.820 -13.448 340 HB2 TYR 26 1HB TYR 26 6.400 8.424 -11.844 341 HB3 TYR 26 2HB TYR 26 4.826 8.910 -11.208 342 HD1 TYR 26 HD1 TYR 26 6.698 6.047 -12.740 343 HD2 TYR 26 HD2 TYR 26 3.187 7.268 -10.572 344 HE1 TYR 26 HE1 TYR 26 6.098 3.672 -12.359 345 HE2 TYR 26 HE2 TYR 26 2.607 4.872 -10.175 346 HH TYR 26 HH TYR 26 4.653 2.205 -11.420 347 H NVA 27 H ARX 27 3.971 7.285 -15.100 348 HA NVA 27 HA ARX 27 4.685 5.632 -16.487 349 HB2 NVA 27 1HB ARX 27 4.579 8.019 -17.668 350 HB3 NVA 27 2HB ARX 27 6.282 7.687 -17.962 351 HG2 NVA 27 1HG ARX 27 5.225 5.248 -18.744 352 HG3 NVA 27 2HG ARX 27 3.810 6.256 -19.009 353 HD2 NVA 27 1HD ARX 27 4.944 6.203 -21.082 354 HD3 NVA 27 2HD ARX 27 5.364 7.793 -20.436 355 HA PRO 28 HA PRO 28 8.822 4.205 -15.183 356 HB2 PRO 28 1HB PRO 28 8.280 1.544 -14.989 357 HB3 PRO 28 2HB PRO 28 7.727 2.717 -13.748 358 HG2 PRO 28 1HG PRO 28 6.201 1.541 -16.059 359 HG3 PRO 28 2HG PRO 28 5.712 1.690 -14.343 360 HD2 PRO 28 1HD PRO 28 4.944 3.464 -16.305 361 HD3 PRO 28 2HD PRO 28 5.147 3.933 -14.583 362 H HIX 29 H HIX 29 9.411 4.977 -17.309 363 HA HIX 29 HA HIX 29 9.198 3.316 -19.673 364 HB1 HIX 29 1HB HIX 29 10.660 5.919 -19.053 365 HB2 HIX 29 2HB HIX 29 10.956 5.058 -20.557 366 HD2 HIX 29 HD2 HIX 29 7.493 5.704 -18.644 367 HD1 HIX 29 HD1 HIX 29 9.307 6.194 -22.410 368 H THR 30 H THR 30 10.668 2.338 -20.886 369 HA THR 30 HA THR 30 12.422 0.484 -19.733 370 HB THR 30 HB THR 30 12.753 1.524 -22.563 371 HG1 THR 30 HG1 THR 30 10.671 -0.133 -21.497 372 HG21 THR 30 1HG2 THR 30 14.192 -0.428 -21.862 373 HG22 THR 30 2HG2 THR 30 12.991 -0.931 -23.068 374 HG23 THR 30 3HG2 THR 30 12.752 -1.321 -21.355 375 HXT THR 30 H02 THR 30 14.867 3.425 -20.343 Start of MODEL 6 1 H1 GLY 1 2H0 GLY 1 2.611 -1.169 1.544 2 H2 GLY 1 1H0 GLY 1 3.831 -1.967 0.802 3 HA2 GLY 1 1HA GLY 1 2.707 0.648 -0.037 4 HA3 GLY 1 2HA GLY 1 4.062 -0.161 -0.845 5 H ILE 2 H ILE 2 2.559 0.396 -2.593 6 HA ILE 2 HA ILE 2 0.080 -0.711 -3.104 7 HB ILE 2 HB ILE 2 1.192 0.916 -4.593 8 HG12 ILE 2 1HG1 ILE 2 0.464 -1.632 -6.107 9 HG13 ILE 2 2HG1 ILE 2 -0.706 -0.510 -5.398 10 HG21 ILE 2 1HG2 ILE 2 2.945 -1.379 -5.671 11 HG22 ILE 2 2HG2 ILE 2 2.997 0.339 -6.142 12 HG23 ILE 2 3HG2 ILE 2 3.521 -0.153 -4.517 13 HD11 ILE 2 3HD1 ILE 2 -0.661 0.104 -7.565 14 HD12 ILE 2 1HD1 ILE 2 0.491 1.253 -6.851 15 HD13 ILE 2 2HD1 ILE 2 1.089 -0.180 -7.741 16 H VAL 3 H VAL 3 3.186 -2.446 -3.378 17 HA VAL 3 HA VAL 3 2.139 -4.624 -4.877 18 HB VAL 3 HB VAL 3 4.469 -4.467 -2.926 19 HG11 VAL 3 1HG1 VAL 3 5.309 -6.530 -4.073 20 HG12 VAL 3 2HG1 VAL 3 3.805 -6.822 -3.191 21 HG13 VAL 3 3HG1 VAL 3 3.774 -6.644 -4.958 22 HG21 VAL 3 3HG2 VAL 3 5.840 -4.338 -5.016 23 HG22 VAL 3 1HG2 VAL 3 4.351 -4.297 -5.972 24 HG23 VAL 3 2HG2 VAL 3 4.728 -2.964 -4.857 25 H GLU 4 H GLU 4 2.386 -4.098 -1.309 26 HA GLU 4 HA GLU 4 1.168 -6.709 -0.837 27 HB2 GLU 4 1HB GLU 4 1.859 -4.429 1.035 28 HB3 GLU 4 2HB GLU 4 1.212 -5.995 1.552 29 HG2 GLU 4 1HG GLU 4 3.169 -7.090 0.388 30 HG3 GLU 4 2HG GLU 4 3.866 -5.489 0.148 31 HE2 GLU 4 HE2 GLU 4 4.489 -7.835 1.627 32 H GLN 5 H GLN 5 -0.048 -3.616 -1.595 33 HA GLN 5 HA GLN 5 -2.653 -4.155 -0.328 34 HB2 GLN 5 1HB GLN 5 -1.258 -1.830 -1.409 35 HB3 GLN 5 2HB GLN 5 -2.946 -1.918 -1.930 36 HG2 GLN 5 1HG GLN 5 -2.775 -0.624 0.128 37 HG3 GLN 5 2HG GLN 5 -3.674 -2.120 0.419 38 HE21 GLN 5 2HE2 GLN 5 -3.229 -2.871 2.388 39 HE22 GLN 5 1HE2 GLN 5 -1.645 -2.905 3.116 40 H CYS 6 H CYS 6 -1.183 -4.307 -3.526 41 HA CYS 6 HA CYS 6 -3.866 -4.964 -4.691 42 HB2 CYS 6 1HB CYS 6 -1.346 -3.829 -5.923 43 HB3 CYS 6 2HB CYS 6 -2.696 -4.448 -6.876 44 H CYS 7 H CYS 7 -0.401 -6.013 -4.666 45 HA CYS 7 HA CYS 7 -1.072 -8.291 -6.378 46 HB2 CYS 7 1HB CYS 7 1.232 -7.172 -6.011 47 HB3 CYS 7 2HB CYS 7 1.320 -8.129 -4.530 48 H THR 8 H THR 8 -0.301 -7.884 -2.888 49 HA THR 8 HA THR 8 -1.035 -10.587 -2.234 50 HB THR 8 HB THR 8 -0.816 -8.171 -0.392 51 HG1 THR 8 HG1 THR 8 1.222 -10.016 -1.081 52 HG21 THR 8 1HG2 THR 8 -1.746 -10.140 0.731 53 HG22 THR 8 2HG2 THR 8 -0.069 -9.869 1.266 54 HG23 THR 8 3HG2 THR 8 -0.441 -11.152 0.072 55 H SER 9 H SER 9 -2.810 -7.463 -1.853 56 HA SER 9 HA SER 9 -5.207 -9.067 -1.082 57 HB2 SER 9 1HB SER 9 -5.894 -6.873 0.071 58 HB3 SER 9 2HB SER 9 -4.628 -7.861 0.817 59 HG SER 9 HG SER 9 -3.116 -6.431 0.217 60 H ILE 10 H ILE 10 -7.237 -7.376 -1.404 61 HA ILE 10 HA ILE 10 -7.272 -6.988 -4.353 62 HB ILE 10 HB ILE 10 -9.478 -6.880 -2.218 63 HG12 ILE 10 1HG1 ILE 10 -8.563 -9.162 -2.645 64 HG13 ILE 10 2HG1 ILE 10 -10.267 -8.978 -3.038 65 HG21 ILE 10 1HG2 ILE 10 -9.655 -6.558 -5.256 66 HG22 ILE 10 2HG2 ILE 10 -11.069 -6.914 -4.223 67 HG23 ILE 10 3HG2 ILE 10 -10.168 -5.402 -4.005 68 HD11 ILE 10 3HD1 ILE 10 -9.750 -8.870 -5.452 69 HD12 ILE 10 1HD1 ILE 10 -8.004 -8.973 -5.079 70 HD13 ILE 10 2HD1 ILE 10 -9.080 -10.337 -4.718 71 H CYS 11 H CYS 11 -7.252 -4.974 -5.252 72 HA CYS 11 HA CYS 11 -7.888 -2.663 -3.479 73 HB2 CYS 11 1HB CYS 11 -6.042 -1.389 -4.372 74 HB3 CYS 11 2HB CYS 11 -5.408 -2.906 -3.709 75 H SER 12 H SER 12 -8.545 -0.759 -4.701 76 HA SER 12 HA SER 12 -9.790 -1.503 -7.320 77 HB2 SER 12 1HB SER 12 -10.847 0.378 -5.189 78 HB3 SER 12 2HB SER 12 -11.677 -0.112 -6.672 79 HG SER 12 HG SER 12 -12.311 -1.265 -4.736 80 H LEU 13 H LEU 13 -10.456 0.564 -8.532 81 HA LEU 13 HA LEU 13 -8.212 2.141 -9.167 82 HB2 LEU 13 1HB LEU 13 -9.754 3.567 -10.376 83 HB3 LEU 13 2HB LEU 13 -10.095 1.880 -10.673 84 HG LEU 13 HG LEU 13 -11.754 3.440 -8.681 85 HD11 LEU 13 1HD1 LEU 13 -12.141 3.361 -11.691 86 HD12 LEU 13 2HD1 LEU 13 -11.660 4.782 -10.735 87 HD13 LEU 13 3HD1 LEU 13 -13.267 4.067 -10.505 88 HD21 LEU 13 3HD2 LEU 13 -12.359 1.070 -10.505 89 HD22 LEU 13 1HD2 LEU 13 -13.558 1.906 -9.505 90 HD23 LEU 13 2HD2 LEU 13 -12.229 1.039 -8.735 91 H TYR 14 H TYR 14 -10.598 2.558 -6.644 92 HA TYR 14 HA TYR 14 -10.225 5.294 -6.031 93 HB2 TYR 14 1HB TYR 14 -11.964 3.646 -5.134 94 HB3 TYR 14 2HB TYR 14 -10.712 3.066 -4.026 95 HD1 TYR 14 HD2 TYR 14 -9.739 4.688 -2.294 96 HD2 TYR 14 HD1 TYR 14 -13.151 5.679 -4.731 97 HE1 TYR 14 HE2 TYR 14 -10.355 6.508 -0.707 98 HE2 TYR 14 HE1 TYR 14 -13.747 7.507 -3.130 99 HH TYR 14 HH TYR 14 -13.224 8.572 -1.167 100 H GLN 15 H GLN 15 -8.521 2.363 -4.796 101 HA GLN 15 HA GLN 15 -6.686 3.942 -3.194 102 HB2 GLN 15 1HB GLN 15 -6.627 1.066 -4.194 103 HB3 GLN 15 2HB GLN 15 -5.353 1.769 -3.203 104 HG2 GLN 15 1HG GLN 15 -6.767 0.542 -1.728 105 HG3 GLN 15 2HG GLN 15 -7.058 2.252 -1.416 106 HE21 GLN 15 2HE2 GLN 15 -9.112 2.100 -0.607 107 HE22 GLN 15 1HE2 GLN 15 -10.471 1.566 -1.551 108 H LEU 16 H LEU 16 -6.660 2.485 -6.470 109 HA LEU 16 HA LEU 16 -3.899 2.917 -6.932 110 HB2 LEU 16 1HB LEU 16 -6.239 2.405 -8.644 111 HB3 LEU 16 2HB LEU 16 -4.869 3.217 -9.411 112 HG LEU 16 HG LEU 16 -3.372 1.388 -8.578 113 HD11 LEU 16 1HD1 LEU 16 -4.738 0.495 -6.764 114 HD12 LEU 16 2HD1 LEU 16 -4.417 -0.764 -7.970 115 HD13 LEU 16 3HD1 LEU 16 -6.008 0.025 -7.913 116 HD21 LEU 16 3HD2 LEU 16 -4.183 1.449 -10.858 117 HD22 LEU 16 1HD2 LEU 16 -5.666 0.600 -10.384 118 HD23 LEU 16 2HD2 LEU 16 -4.094 -0.223 -10.274 119 H GLU 17 H GLU 17 -6.584 5.244 -7.301 120 HA GLU 17 HA GLU 17 -5.007 7.197 -8.679 121 HB2 GLU 17 1HB GLU 17 -7.308 7.482 -6.709 122 HB3 GLU 17 2HB GLU 17 -6.501 8.866 -7.461 123 HG2 GLU 17 1HG GLU 17 -6.990 7.698 -9.707 124 HG3 GLU 17 2HG GLU 17 -8.141 6.718 -8.793 125 HE2 GLU 17 HE2 GLU 17 -9.906 7.471 -8.491 126 H ASN 18 H ASN 18 -5.051 6.250 -5.232 127 HA ASN 18 HA ASN 18 -3.535 8.614 -4.417 128 HB2 ASN 18 1HB ASN 18 -4.054 5.971 -2.998 129 HB3 ASN 18 2HB ASN 18 -3.270 7.389 -2.285 130 HD21 ASN 18 2HD2 ASN 18 -6.033 5.818 -2.173 131 HD22 ASN 18 1HD2 ASN 18 -7.164 7.131 -2.010 132 H TYR 19 H TYR 19 -2.753 5.648 -6.012 133 HA TYR 19 HA TYR 19 0.075 5.771 -5.136 134 HB2 TYR 19 1HB TYR 19 -1.255 3.956 -7.184 135 HB3 TYR 19 2HB TYR 19 0.388 3.806 -6.554 136 HD1 TYR 19 HD1 TYR 19 -0.074 4.275 -3.602 137 HD2 TYR 19 HD2 TYR 19 -2.297 1.964 -6.454 138 HE1 TYR 19 HE1 TYR 19 -0.931 2.830 -1.778 139 HE2 TYR 19 HE2 TYR 19 -3.177 0.544 -4.624 140 HH TYR 19 HH TYR 19 -3.180 0.130 -2.387 141 H CYS 20 H CYS 20 -1.799 7.610 -7.018 142 HA CYS 20 HA CYS 20 0.367 8.037 -9.053 143 HB2 CYS 20 1HB CYS 20 -1.855 7.235 -9.947 144 HB3 CYS 20 2HB CYS 20 -2.579 8.698 -9.283 145 H ASN 21 H ASN 21 -2.121 9.472 -6.959 146 HA ASN 21 HA ASN 21 -0.544 12.020 -6.805 147 HB2 ASN 21 1HB ASN 21 -2.765 12.409 -7.850 148 HB3 ASN 21 2HB ASN 21 -3.563 11.566 -6.510 149 HD21 ASN 21 2HD2 ASN 21 -4.577 12.965 -5.246 150 HD22 ASN 21 1HD2 ASN 21 -3.911 14.476 -4.704 151 HXT ASN 21 H02 ASN 21 -0.066 11.099 -3.625 152 H1 PHE 1 2H0 PHE 1 -12.255 0.074 -16.085 153 H2 PHE 1 1H0 PHE 1 -13.258 -1.230 -15.929 154 HA PHE 1 HA PHE 1 -11.129 -1.513 -14.701 155 HB2 PHE 1 1HB PHE 1 -11.163 1.035 -14.217 156 HB3 PHE 1 2HB PHE 1 -12.267 0.669 -12.905 157 HD1 PHE 1 HD2 PHE 1 -11.429 -1.132 -11.138 158 HD2 PHE 1 HD1 PHE 1 -8.842 0.993 -13.856 159 HE1 PHE 1 HE2 PHE 1 -9.498 -1.663 -9.716 160 HE2 PHE 1 HE1 PHE 1 -6.913 0.492 -12.396 161 HZ PHE 1 HZ PHE 1 -7.239 -0.862 -10.319 162 H VAL 2 H VAL 2 -11.128 -3.189 -13.376 163 HA VAL 2 HA VAL 2 -13.395 -3.469 -11.460 164 HB VAL 2 HB VAL 2 -13.844 -4.988 -13.370 165 HG11 VAL 2 1HG1 VAL 2 -12.418 -6.911 -13.850 166 HG12 VAL 2 2HG1 VAL 2 -11.494 -5.410 -14.084 167 HG13 VAL 2 3HG1 VAL 2 -11.241 -6.390 -12.608 168 HG21 VAL 2 3HG2 VAL 2 -13.048 -6.524 -10.863 169 HG22 VAL 2 1HG2 VAL 2 -14.543 -5.584 -11.066 170 HG23 VAL 2 2HG2 VAL 2 -14.253 -7.006 -12.082 171 H ASN 3 H ASN 3 -12.887 -4.186 -9.484 172 HA ASN 3 HA ASN 3 -10.082 -3.957 -8.690 173 HB2 ASN 3 1HB ASN 3 -11.032 -4.319 -6.412 174 HB3 ASN 3 2HB ASN 3 -11.766 -2.980 -7.299 175 HD21 ASN 3 2HD2 ASN 3 -12.321 -5.893 -5.655 176 HD22 ASN 3 1HD2 ASN 3 -14.027 -6.011 -6.016 177 H GLN 4 H GLN 4 -8.671 -5.537 -8.375 178 HA GLN 4 HA GLN 4 -9.407 -8.299 -7.781 179 HB2 GLN 4 1HB GLN 4 -8.495 -9.249 -9.870 180 HB3 GLN 4 2HB GLN 4 -9.900 -8.242 -10.223 181 HG2 GLN 4 1HG GLN 4 -8.397 -6.379 -10.871 182 HG3 GLN 4 2HG GLN 4 -7.008 -7.418 -10.564 183 HE21 GLN 4 2HE2 GLN 4 -9.052 -6.264 -12.890 184 HE22 GLN 4 1HE2 GLN 4 -8.770 -7.482 -14.111 185 H HIS 5 H HIS 5 -7.204 -9.611 -8.044 186 HA HIS 5 HA HIS 5 -5.128 -8.062 -6.676 187 HB2 HIS 5 1HB HIS 5 -5.163 -10.875 -7.860 188 HB3 HIS 5 2HB HIS 5 -3.783 -10.170 -7.004 189 HD1 HIS 5 HD1 HIS 5 -4.093 -9.658 -4.394 190 HD2 HIS 5 HD2 HIS 5 -7.164 -11.877 -6.190 191 HE1 HIS 5 HE1 HIS 5 -5.471 -10.683 -2.512 192 HE2 HIS 5 HE2 HIS 5 -7.283 -12.057 -3.603 193 H LEU 6 H LEU 6 -3.428 -7.066 -7.611 194 HA LEU 6 HA LEU 6 -2.938 -7.519 -10.531 195 HB2 LEU 6 1HB LEU 6 -3.376 -4.891 -9.077 196 HB3 LEU 6 2HB LEU 6 -2.603 -4.991 -10.657 197 HG LEU 6 HG LEU 6 -5.340 -6.133 -10.233 198 HD11 LEU 6 1HD1 LEU 6 -5.535 -3.868 -9.440 199 HD12 LEU 6 2HD1 LEU 6 -6.227 -3.950 -11.072 200 HD13 LEU 6 3HD1 LEU 6 -4.602 -3.257 -10.830 201 HD21 LEU 6 3HD2 LEU 6 -5.549 -5.644 -12.655 202 HD22 LEU 6 1HD2 LEU 6 -4.219 -6.751 -12.300 203 HD23 LEU 6 2HD2 LEU 6 -3.877 -5.040 -12.661 204 H CYS 7 H CYS 7 -0.805 -7.443 -11.083 205 HA CYS 7 HA CYS 7 1.156 -6.487 -9.089 206 HB2 CYS 7 1HB CYS 7 0.405 -9.110 -9.025 207 HB3 CYS 7 2HB CYS 7 1.701 -9.188 -10.223 208 H GLY 8 H GLY 8 3.375 -6.436 -10.039 209 HA2 GLY 8 1HA GLY 8 4.791 -5.800 -11.744 210 HA3 GLY 8 2HA GLY 8 4.102 -7.182 -12.590 211 H SER 9 H SER 9 4.066 -6.487 -14.638 212 HA SER 9 HA SER 9 3.425 -3.892 -15.509 213 HB2 SER 9 1HB SER 9 2.693 -6.228 -17.211 214 HB3 SER 9 2HB SER 9 3.685 -4.808 -17.593 215 HG SER 9 HG SER 9 5.097 -6.494 -17.413 216 H HIS 10 H HIS 10 1.247 -6.559 -14.602 217 HA HIS 10 HA HIS 10 -1.066 -5.437 -15.878 218 HB2 HIS 10 1HB HIS 10 -0.496 -7.793 -14.562 219 HB3 HIS 10 2HB HIS 10 -1.530 -6.957 -13.390 220 HD1 HIS 10 HD1 HIS 10 -2.717 -9.469 -14.630 221 HD2 HIS 10 HD2 HIS 10 -3.047 -5.698 -16.419 222 HE1 HIS 10 HE1 HIS 10 -4.712 -9.575 -16.207 223 HE2 HIS 10 HE2 HIS 10 -4.909 -7.291 -17.275 224 H LEU 11 H LEU 11 0.480 -5.057 -12.680 225 HA LEU 11 HA LEU 11 -1.529 -3.300 -11.550 226 HB2 LEU 11 1HB LEU 11 1.017 -4.316 -10.798 227 HB3 LEU 11 2HB LEU 11 1.128 -2.561 -10.761 228 HG LEU 11 HG LEU 11 -0.867 -4.279 -9.271 229 HD11 LEU 11 1HD1 LEU 11 0.356 -3.524 -7.297 230 HD12 LEU 11 2HD1 LEU 11 1.456 -2.569 -8.319 231 HD13 LEU 11 3HD1 LEU 11 1.443 -4.346 -8.419 232 HD21 LEU 11 3HD2 LEU 11 -1.429 -2.071 -8.108 233 HD22 LEU 11 1HD2 LEU 11 -2.053 -2.282 -9.747 234 HD23 LEU 11 2HD2 LEU 11 -0.626 -1.270 -9.473 235 H VAL 12 H VAL 12 1.474 -2.719 -13.431 236 HA VAL 12 HA VAL 12 1.255 0.138 -13.414 237 HB VAL 12 HB VAL 12 2.487 -1.693 -15.532 238 HG11 VAL 12 1HG1 VAL 12 2.894 1.294 -15.045 239 HG12 VAL 12 2HG1 VAL 12 3.841 0.292 -16.167 240 HG13 VAL 12 3HG1 VAL 12 2.120 0.562 -16.473 241 HG21 VAL 12 3HG2 VAL 12 4.634 -1.165 -14.378 242 HG22 VAL 12 1HG2 VAL 12 3.730 -0.240 -13.155 243 HG23 VAL 12 2HG2 VAL 12 3.499 -1.988 -13.300 244 H GLU 13 H GLU 13 -0.071 -2.309 -15.692 245 HA GLU 13 HA GLU 13 -1.180 -0.453 -17.552 246 HB2 GLU 13 1HB GLU 13 -1.871 -3.275 -16.708 247 HB3 GLU 13 2HB GLU 13 -2.942 -2.396 -17.801 248 HG2 GLU 13 1HG GLU 13 -1.229 -2.144 -19.430 249 HG3 GLU 13 2HG GLU 13 -0.002 -2.809 -18.338 250 HE2 GLU 13 HE2 GLU 13 -0.722 -5.994 -19.078 251 H ALA 14 H ALA 14 -2.604 -1.926 -14.582 252 HA ALA 14 HA ALA 14 -5.136 -0.616 -14.884 253 HB1 ALA 14 3HB ALA 14 -3.696 -1.457 -12.360 254 HB2 ALA 14 1HB ALA 14 -5.428 -1.116 -12.528 255 HB3 ALA 14 2HB ALA 14 -4.717 -2.513 -13.371 256 H LEU 15 H LEU 15 -2.121 0.406 -13.251 257 HA LEU 15 HA LEU 15 -3.200 2.842 -12.207 258 HB2 LEU 15 1HB LEU 15 -0.668 1.499 -12.375 259 HB3 LEU 15 2HB LEU 15 -0.464 3.191 -12.779 260 HG LEU 15 HG LEU 15 -1.857 2.239 -10.264 261 HD11 LEU 15 1HD1 LEU 15 0.246 2.747 -9.083 262 HD12 LEU 15 2HD1 LEU 15 1.040 3.073 -10.633 263 HD13 LEU 15 3HD1 LEU 15 0.454 1.438 -10.273 264 HD21 LEU 15 3HD2 LEU 15 -1.386 4.548 -9.467 265 HD22 LEU 15 1HD2 LEU 15 -2.435 4.540 -10.898 266 HD23 LEU 15 2HD2 LEU 15 -0.719 4.956 -11.058 267 H TYR 16 H TYR 16 -1.699 2.031 -15.332 268 HA TYR 16 HA TYR 16 -1.633 4.728 -16.322 269 HB2 TYR 16 1HB TYR 16 -0.306 3.182 -17.515 270 HB3 TYR 16 2HB TYR 16 -1.602 1.984 -17.571 271 HD1 TYR 16 HD1 TYR 16 -0.644 5.346 -18.921 272 HD2 TYR 16 HD2 TYR 16 -3.085 1.836 -19.398 273 HE1 TYR 16 HE1 TYR 16 -1.395 6.161 -21.174 274 HE2 TYR 16 HE2 TYR 16 -3.808 2.642 -21.648 275 HH TYR 16 HH TYR 16 -3.548 4.206 -23.260 276 H LEU 17 H LEU 17 -4.148 2.137 -16.424 277 HA LEU 17 HA LEU 17 -5.843 3.609 -18.219 278 HB2 LEU 17 1HB LEU 17 -6.444 1.419 -16.203 279 HB3 LEU 17 2HB LEU 17 -7.629 2.052 -17.341 280 HG LEU 17 HG LEU 17 -5.002 0.835 -18.245 281 HD11 LEU 17 1HD1 LEU 17 -6.208 -0.828 -16.896 282 HD12 LEU 17 2HD1 LEU 17 -6.159 -1.270 -18.611 283 HD13 LEU 17 3HD1 LEU 17 -7.654 -0.593 -17.906 284 HD21 LEU 17 3HD2 LEU 17 -7.654 1.277 -19.664 285 HD22 LEU 17 1HD2 LEU 17 -6.228 0.455 -20.359 286 HD23 LEU 17 2HD2 LEU 17 -6.147 2.174 -19.931 287 H VAL 18 H VAL 18 -5.661 3.408 -14.652 288 HA VAL 18 HA VAL 18 -7.944 5.197 -14.414 289 HB VAL 18 HB VAL 18 -7.507 3.426 -12.751 290 HG11 VAL 18 1HG1 VAL 18 -5.009 3.751 -12.777 291 HG12 VAL 18 2HG1 VAL 18 -5.265 5.125 -11.665 292 HG13 VAL 18 3HG1 VAL 18 -5.774 3.476 -11.221 293 HG21 VAL 18 3HG2 VAL 18 -8.910 5.284 -12.102 294 HG22 VAL 18 1HG2 VAL 18 -7.931 4.743 -10.711 295 HG23 VAL 18 2HG2 VAL 18 -7.483 6.224 -11.595 296 H CYS 19 H CYS 19 -4.434 5.687 -14.336 297 HA CYS 19 HA CYS 19 -4.995 8.582 -13.796 298 HB2 CYS 19 1HB CYS 19 -3.690 7.088 -12.096 299 HB3 CYS 19 2HB CYS 19 -2.346 7.324 -13.209 300 H GLY 20 H GLY 20 -3.006 6.432 -15.838 301 HA2 GLY 20 1HA GLY 20 -1.402 8.586 -16.895 302 HA3 GLY 20 2HA GLY 20 -1.636 6.980 -17.628 303 H GLU 21 H GLU 21 -4.375 6.937 -17.979 304 HA GLU 21 HA GLU 21 -4.674 8.605 -20.330 305 HB2 GLU 21 1HB GLU 21 -6.689 6.908 -18.822 306 HB3 GLU 21 2HB GLU 21 -6.954 7.638 -20.420 307 HG2 GLU 21 1HG GLU 21 -4.930 6.373 -21.218 308 HG3 GLU 21 2HG GLU 21 -4.896 5.520 -19.671 309 HE2 GLU 21 HE2 GLU 21 -5.720 5.354 -22.584 310 H ARG 22 H ARG 22 -5.234 9.114 -17.028 311 HA ARG 22 HA ARG 22 -7.335 11.124 -17.267 312 HB2 ARG 22 1HB ARG 22 -6.776 9.579 -15.305 313 HB3 ARG 22 2HB ARG 22 -5.418 10.663 -14.996 314 HG2 ARG 22 1HG ARG 22 -7.051 12.526 -14.748 315 HG3 ARG 22 2HG ARG 22 -8.347 11.306 -14.856 316 HD2 ARG 22 1HD ARG 22 -7.907 10.546 -12.798 317 HD3 ARG 22 2HD ARG 22 -6.181 10.448 -13.165 318 HE ARG 22 HE ARG 22 -5.884 12.710 -12.447 319 HH11 ARG 22 1HH1 ARG 22 -9.097 11.469 -11.683 320 HH12 ARG 22 2HH1 ARG 22 -9.370 12.687 -10.467 321 HH21 ARG 22 1HH2 ARG 22 -6.322 14.236 -10.931 322 HH22 ARG 22 2HH2 ARG 22 -7.817 14.221 -10.048 323 H GLY 23 H GLY 23 -3.895 10.980 -17.576 324 HA2 GLY 23 1HA GLY 23 -2.761 12.805 -18.680 325 HA3 GLY 23 2HA GLY 23 -3.810 13.946 -17.848 326 H GLY 24 H GLY 24 -2.509 11.336 -15.940 327 HA2 GLY 24 1HA GLY 24 -0.420 13.195 -14.883 328 HA3 GLY 24 2HA GLY 24 -1.394 12.159 -13.830 329 H PHE 25 H PHE 25 -0.076 10.661 -13.076 330 HA PHE 25 HA PHE 25 1.137 8.761 -12.967 331 HB2 PHE 25 1HB PHE 25 -0.470 8.178 -14.864 332 HB3 PHE 25 2HB PHE 25 0.886 8.428 -15.962 333 HD1 PHE 25 HD1 PHE 25 0.606 6.793 -12.581 334 HD2 PHE 25 HD2 PHE 25 1.596 6.364 -16.754 335 HE1 PHE 25 HE1 PHE 25 1.331 4.489 -12.169 336 HE2 PHE 25 HE2 PHE 25 2.315 4.023 -16.344 337 HZ PHE 25 HZ PHE 25 2.204 3.071 -14.025 338 H TYR 26 H TYR 26 3.154 7.576 -13.743 339 HA TYR 26 HA TYR 26 5.215 9.674 -14.309 340 HB2 TYR 26 1HB TYR 26 6.676 8.388 -12.817 341 HB3 TYR 26 2HB TYR 26 5.215 8.930 -11.978 342 HD1 TYR 26 HD2 TYR 26 6.995 5.959 -13.363 343 HD2 TYR 26 HD1 TYR 26 3.553 7.329 -11.154 344 HE1 TYR 26 HE2 TYR 26 6.494 3.626 -12.652 345 HE2 TYR 26 HE1 TYR 26 3.064 4.983 -10.463 346 HH TYR 26 HH TYR 26 5.138 2.248 -11.470 347 H NVA 27 H ARX 27 3.858 6.800 -15.378 348 HA NVA 27 HA ARX 27 4.391 5.064 -16.725 349 HB2 NVA 27 1HB ARX 27 4.116 7.321 -18.120 350 HB3 NVA 27 2HB ARX 27 5.767 6.962 -18.589 351 HG2 NVA 27 1HG ARX 27 4.652 4.450 -18.994 352 HG3 NVA 27 2HG ARX 27 3.202 5.427 -19.155 353 HD2 NVA 27 1HD ARX 27 4.021 5.172 -21.326 354 HD3 NVA 27 2HD ARX 27 4.519 6.828 -20.934 355 HA PRO 28 HA PRO 28 8.741 3.857 -15.838 356 HB2 PRO 28 1HB PRO 28 8.323 1.267 -15.173 357 HB3 PRO 28 2HB PRO 28 7.904 2.602 -14.054 358 HG2 PRO 28 1HG PRO 28 6.115 1.042 -15.905 359 HG3 PRO 28 2HG PRO 28 5.853 1.482 -14.194 360 HD2 PRO 28 1HD PRO 28 4.798 2.871 -16.350 361 HD3 PRO 28 2HD PRO 28 5.123 3.609 -14.746 362 H HIX 29 H HIX 29 8.959 4.315 -18.136 363 HA HIX 29 HA HIX 29 8.349 2.419 -20.190 364 HB1 HIX 29 1HB HIX 29 9.968 4.976 -20.149 365 HB2 HIX 29 2HB HIX 29 10.008 3.923 -21.566 366 HD2 HIX 29 HD2 HIX 29 6.917 5.007 -19.230 367 HD1 HIX 29 HD1 HIX 29 8.092 4.784 -23.264 368 H THR 30 H THR 30 9.289 0.958 -21.189 369 HA THR 30 HA THR 30 10.616 -1.086 -20.600 370 HB THR 30 HB THR 30 11.912 0.356 -22.937 371 HG1 THR 30 HG1 THR 30 9.894 0.877 -23.409 372 HG21 THR 30 1HG2 THR 30 12.505 -2.050 -22.540 373 HG22 THR 30 2HG2 THR 30 11.586 -1.848 -24.034 374 HG23 THR 30 3HG2 THR 30 10.784 -2.482 -22.587 375 HXT THR 30 H02 THR 30 13.423 -0.442 -18.912 Start of MODEL 7 1 H1 GLY 1 2H0 GLY 1 4.573 3.523 -1.643 2 H2 GLY 1 1H0 GLY 1 3.744 2.997 -0.344 3 HA2 GLY 1 1HA GLY 1 5.361 1.259 -2.169 4 HA3 GLY 1 2HA GLY 1 4.434 0.686 -0.747 5 H ILE 2 H ILE 2 3.823 -0.659 -2.674 6 HA ILE 2 HA ILE 2 1.064 -0.033 -3.337 7 HB ILE 2 HB ILE 2 2.049 1.320 -5.156 8 HG12 ILE 2 1HG1 ILE 2 1.298 0.035 -7.208 9 HG13 ILE 2 2HG1 ILE 2 1.020 -1.368 -6.171 10 HG21 ILE 2 1HG2 ILE 2 3.623 0.413 -6.821 11 HG22 ILE 2 2HG2 ILE 2 4.321 0.297 -5.210 12 HG23 ILE 2 3HG2 ILE 2 3.685 -1.167 -5.984 13 HD11 ILE 2 3HD1 ILE 2 -0.631 -0.031 -4.872 14 HD12 ILE 2 1HD1 ILE 2 -0.336 1.321 -5.981 15 HD13 ILE 2 2HD1 ILE 2 -1.072 -0.154 -6.586 16 H VAL 3 H VAL 3 3.902 -2.082 -3.889 17 HA VAL 3 HA VAL 3 2.614 -4.262 -5.099 18 HB VAL 3 HB VAL 3 5.074 -4.204 -3.292 19 HG11 VAL 3 1HG1 VAL 3 5.742 -6.323 -4.444 20 HG12 VAL 3 2HG1 VAL 3 4.246 -6.525 -3.502 21 HG13 VAL 3 3HG1 VAL 3 4.158 -6.347 -5.268 22 HG21 VAL 3 3HG2 VAL 3 5.363 -2.731 -5.202 23 HG22 VAL 3 1HG2 VAL 3 6.301 -4.206 -5.492 24 HG23 VAL 3 2HG2 VAL 3 4.740 -3.978 -6.310 25 H GLU 4 H GLU 4 3.277 -3.774 -1.566 26 HA GLU 4 HA GLU 4 1.954 -6.291 -0.984 27 HB2 GLU 4 1HB GLU 4 3.048 -4.086 0.771 28 HB3 GLU 4 2HB GLU 4 2.288 -5.560 1.406 29 HG2 GLU 4 1HG GLU 4 3.950 -6.947 0.250 30 HG3 GLU 4 2HG GLU 4 4.736 -5.507 -0.396 31 HE2 GLU 4 HE2 GLU 4 5.154 -6.476 3.416 32 H GLN 5 H GLN 5 0.521 -3.755 -2.145 33 HA GLN 5 HA GLN 5 -1.847 -4.042 -0.342 34 HB2 GLN 5 1HB GLN 5 -0.973 -1.729 -2.094 35 HB3 GLN 5 2HB GLN 5 -2.609 -1.875 -1.420 36 HG2 GLN 5 1HG GLN 5 -0.080 -1.863 0.279 37 HG3 GLN 5 2HG GLN 5 -1.007 -0.424 -0.117 38 HE21 GLN 5 2HE2 GLN 5 -0.605 -2.740 2.204 39 HE22 GLN 5 1HE2 GLN 5 -2.170 -2.627 2.971 40 H CYS 6 H CYS 6 -0.783 -3.694 -3.771 41 HA CYS 6 HA CYS 6 -3.405 -4.774 -4.585 42 HB2 CYS 6 1HB CYS 6 -1.055 -3.560 -6.017 43 HB3 CYS 6 2HB CYS 6 -2.316 -4.423 -6.879 44 H CYS 7 H CYS 7 -0.001 -5.865 -4.605 45 HA CYS 7 HA CYS 7 -0.697 -8.186 -6.266 46 HB2 CYS 7 1HB CYS 7 1.584 -6.965 -6.104 47 HB3 CYS 7 2HB CYS 7 1.805 -7.824 -4.568 48 H THR 8 H THR 8 -0.509 -7.323 -2.886 49 HA THR 8 HA THR 8 -0.728 -10.138 -2.009 50 HB THR 8 HB THR 8 -0.503 -7.592 -0.375 51 HG1 THR 8 HG1 THR 8 1.497 -9.438 -1.164 52 HG21 THR 8 1HG2 THR 8 -1.326 -9.455 0.973 53 HG22 THR 8 2HG2 THR 8 0.392 -9.162 1.358 54 HG23 THR 8 3HG2 THR 8 -0.061 -10.518 0.294 55 H SER 9 H SER 9 -2.648 -7.101 -1.797 56 HA SER 9 HA SER 9 -4.917 -8.778 -0.806 57 HB2 SER 9 1HB SER 9 -4.614 -5.792 -0.495 58 HB3 SER 9 2HB SER 9 -5.714 -6.880 0.366 59 HG SER 9 HG SER 9 -3.755 -6.181 1.509 60 H ILE 10 H ILE 10 -7.052 -7.284 -1.294 61 HA ILE 10 HA ILE 10 -7.126 -7.124 -4.243 62 HB ILE 10 HB ILE 10 -9.337 -6.869 -2.133 63 HG12 ILE 10 1HG1 ILE 10 -8.397 -9.151 -2.306 64 HG13 ILE 10 2HG1 ILE 10 -10.092 -9.048 -2.797 65 HG21 ILE 10 1HG2 ILE 10 -9.485 -6.855 -5.179 66 HG22 ILE 10 2HG2 ILE 10 -10.891 -7.144 -4.118 67 HG23 ILE 10 3HG2 ILE 10 -10.029 -5.597 -4.053 68 HD11 ILE 10 3HD1 ILE 10 -7.720 -9.200 -4.710 69 HD12 ILE 10 1HD1 ILE 10 -8.793 -10.539 -4.263 70 HD13 ILE 10 2HD1 ILE 10 -9.442 -9.164 -5.184 71 H CYS 11 H CYS 11 -7.069 -5.193 -5.294 72 HA CYS 11 HA CYS 11 -7.715 -2.764 -3.686 73 HB2 CYS 11 1HB CYS 11 -5.910 -1.541 -4.725 74 HB3 CYS 11 2HB CYS 11 -5.276 -2.968 -3.913 75 H SER 12 H SER 12 -8.556 -0.989 -4.923 76 HA SER 12 HA SER 12 -9.884 -1.857 -7.487 77 HB2 SER 12 1HB SER 12 -11.382 -1.731 -5.481 78 HB3 SER 12 2HB SER 12 -10.966 -0.005 -5.319 79 HG SER 12 HG SER 12 -12.931 -0.449 -6.506 80 H LEU 13 H LEU 13 -10.562 0.136 -8.808 81 HA LEU 13 HA LEU 13 -8.364 1.804 -9.375 82 HB2 LEU 13 1HB LEU 13 -9.838 3.111 -10.723 83 HB3 LEU 13 2HB LEU 13 -10.172 1.410 -10.929 84 HG LEU 13 HG LEU 13 -11.939 2.962 -9.086 85 HD11 LEU 13 1HD1 LEU 13 -11.696 4.432 -11.013 86 HD12 LEU 13 2HD1 LEU 13 -13.308 3.696 -10.984 87 HD13 LEU 13 3HD1 LEU 13 -12.084 3.080 -12.108 88 HD21 LEU 13 3HD2 LEU 13 -12.432 0.733 -11.091 89 HD22 LEU 13 1HD2 LEU 13 -13.679 1.476 -10.051 90 HD23 LEU 13 2HD2 LEU 13 -12.335 0.564 -9.340 91 H TYR 14 H TYR 14 -11.017 2.244 -7.125 92 HA TYR 14 HA TYR 14 -10.729 5.000 -6.528 93 HB2 TYR 14 1HB TYR 14 -12.593 3.577 -5.766 94 HB3 TYR 14 2HB TYR 14 -11.479 2.610 -4.784 95 HD1 TYR 14 HD1 TYR 14 -13.047 5.980 -5.160 96 HD2 TYR 14 HD2 TYR 14 -10.797 3.344 -2.580 97 HE1 TYR 14 HE1 TYR 14 -13.426 7.520 -3.244 98 HE2 TYR 14 HE2 TYR 14 -11.200 4.921 -0.667 99 HH TYR 14 HH TYR 14 -13.029 7.943 -1.042 100 H GLN 15 H GLN 15 -9.104 2.123 -5.172 101 HA GLN 15 HA GLN 15 -7.539 3.694 -3.305 102 HB2 GLN 15 1HB GLN 15 -8.200 1.167 -3.210 103 HB3 GLN 15 2HB GLN 15 -6.825 0.922 -4.296 104 HG2 GLN 15 1HG GLN 15 -5.431 2.173 -2.569 105 HG3 GLN 15 2HG GLN 15 -6.824 2.056 -1.475 106 HE21 GLN 15 2HE2 GLN 15 -7.365 0.067 -0.606 107 HE22 GLN 15 1HE2 GLN 15 -6.327 -1.320 -0.741 108 H LEU 16 H LEU 16 -7.067 2.213 -6.511 109 HA LEU 16 HA LEU 16 -4.315 2.555 -6.850 110 HB2 LEU 16 1HB LEU 16 -6.636 2.345 -8.645 111 HB3 LEU 16 2HB LEU 16 -5.261 3.176 -9.345 112 HG LEU 16 HG LEU 16 -5.369 0.795 -9.950 113 HD11 LEU 16 1HD1 LEU 16 -3.048 0.293 -9.542 114 HD12 LEU 16 2HD1 LEU 16 -2.978 1.468 -8.192 115 HD13 LEU 16 3HD1 LEU 16 -3.267 2.007 -9.856 116 HD21 LEU 16 3HD2 LEU 16 -4.784 -0.945 -8.355 117 HD22 LEU 16 1HD2 LEU 16 -6.307 -0.163 -7.927 118 HD23 LEU 16 2HD2 LEU 16 -4.830 0.221 -7.020 119 H GLU 17 H GLU 17 -6.917 4.959 -7.329 120 HA GLU 17 HA GLU 17 -5.338 6.963 -8.544 121 HB2 GLU 17 1HB GLU 17 -7.783 7.105 -6.767 122 HB3 GLU 17 2HB GLU 17 -6.996 8.562 -7.419 123 HG2 GLU 17 1HG GLU 17 -7.245 7.669 -9.707 124 HG3 GLU 17 2HG GLU 17 -8.082 6.266 -9.058 125 HE2 GLU 17 HE2 GLU 17 -8.158 9.587 -8.682 126 H ASN 18 H ASN 18 -5.448 6.092 -5.093 127 HA ASN 18 HA ASN 18 -4.227 8.579 -4.224 128 HB2 ASN 18 1HB ASN 18 -4.362 5.821 -2.955 129 HB3 ASN 18 2HB ASN 18 -3.653 7.222 -2.167 130 HD21 ASN 18 2HD2 ASN 18 -6.525 5.550 -2.854 131 HD22 ASN 18 1HD2 ASN 18 -7.626 6.713 -2.157 132 H TYR 19 H TYR 19 -2.987 5.764 -5.841 133 HA TYR 19 HA TYR 19 -0.248 6.196 -4.833 134 HB2 TYR 19 1HB TYR 19 -1.397 4.300 -6.908 135 HB3 TYR 19 2HB TYR 19 0.290 4.313 -6.334 136 HD1 TYR 19 HD2 TYR 19 0.776 3.594 -3.921 137 HD2 TYR 19 HD1 TYR 19 -3.136 3.331 -5.641 138 HE1 TYR 19 HE2 TYR 19 0.060 2.013 -2.105 139 HE2 TYR 19 HE1 TYR 19 -3.837 1.756 -3.883 140 HH TYR 19 HH TYR 19 -3.216 0.542 -2.074 141 H CYS 20 H CYS 20 -2.282 7.645 -7.088 142 HA CYS 20 HA CYS 20 -0.210 8.098 -9.128 143 HB2 CYS 20 1HB CYS 20 -2.891 9.439 -8.693 144 HB3 CYS 20 2HB CYS 20 -1.946 9.407 -10.189 145 H ASN 21 H ASN 21 -0.854 9.206 -6.043 146 HA ASN 21 HA ASN 21 -0.154 12.008 -6.437 147 HB2 ASN 21 1HB ASN 21 -1.672 11.040 -4.581 148 HB3 ASN 21 2HB ASN 21 -0.192 10.507 -3.798 149 HD21 ASN 21 2HD2 ASN 21 -1.800 12.245 -2.511 150 HD22 ASN 21 1HD2 ASN 21 -1.109 13.849 -2.493 151 HXT ASN 21 H02 ASN 21 1.499 11.336 -7.567 152 H1 PHE 1 2H0 PHE 1 -11.650 -1.125 -16.173 153 H2 PHE 1 1H0 PHE 1 -12.620 -2.458 -16.001 154 HA PHE 1 HA PHE 1 -10.662 -2.511 -14.503 155 HB2 PHE 1 1HB PHE 1 -10.848 0.085 -14.344 156 HB3 PHE 1 2HB PHE 1 -12.042 -0.215 -13.094 157 HD1 PHE 1 HD1 PHE 1 -11.123 -1.997 -11.159 158 HD2 PHE 1 HD2 PHE 1 -8.694 0.489 -13.724 159 HE1 PHE 1 HE1 PHE 1 -9.233 -2.206 -9.587 160 HE2 PHE 1 HE2 PHE 1 -6.833 0.320 -12.121 161 HZ PHE 1 HZ PHE 1 -7.083 -1.052 -10.036 162 H VAL 2 H VAL 2 -10.860 -4.162 -13.189 163 HA VAL 2 HA VAL 2 -13.213 -4.209 -11.375 164 HB VAL 2 HB VAL 2 -13.562 -5.911 -13.190 165 HG11 VAL 2 1HG1 VAL 2 -12.152 -7.902 -13.300 166 HG12 VAL 2 2HG1 VAL 2 -11.181 -6.455 -13.643 167 HG13 VAL 2 3HG1 VAL 2 -11.081 -7.242 -12.055 168 HG21 VAL 2 3HG2 VAL 2 -14.085 -7.804 -11.715 169 HG22 VAL 2 1HG2 VAL 2 -13.063 -7.125 -10.443 170 HG23 VAL 2 2HG2 VAL 2 -14.555 -6.264 -10.958 171 H ASN 3 H ASN 3 -12.755 -4.877 -9.301 172 HA ASN 3 HA ASN 3 -10.005 -4.370 -8.515 173 HB2 ASN 3 1HB ASN 3 -10.846 -4.546 -6.238 174 HB3 ASN 3 2HB ASN 3 -11.869 -3.474 -7.205 175 HD21 ASN 3 2HD2 ASN 3 -14.002 -4.174 -7.759 176 HD22 ASN 3 1HD2 ASN 3 -14.767 -5.491 -6.917 177 H GLN 4 H GLN 4 -8.474 -5.795 -7.965 178 HA GLN 4 HA GLN 4 -8.965 -8.605 -7.395 179 HB2 GLN 4 1HB GLN 4 -8.015 -9.495 -9.440 180 HB3 GLN 4 2HB GLN 4 -9.431 -8.553 -9.832 181 HG2 GLN 4 1HG GLN 4 -7.942 -6.639 -10.457 182 HG3 GLN 4 2HG GLN 4 -6.544 -7.691 -10.190 183 HE21 GLN 4 2HE2 GLN 4 -8.815 -6.568 -12.378 184 HE22 GLN 4 1HE2 GLN 4 -8.530 -7.742 -13.657 185 H HIS 5 H HIS 5 -6.650 -9.754 -7.750 186 HA HIS 5 HA HIS 5 -4.725 -8.151 -6.236 187 HB2 HIS 5 1HB HIS 5 -4.694 -10.968 -7.369 188 HB3 HIS 5 2HB HIS 5 -3.334 -10.248 -6.487 189 HD1 HIS 5 HD1 HIS 5 -3.831 -9.441 -3.945 190 HD2 HIS 5 HD2 HIS 5 -6.641 -12.047 -5.669 191 HE1 HIS 5 HE1 HIS 5 -5.169 -10.468 -2.018 192 HE2 HIS 5 HE2 HIS 5 -6.848 -12.040 -3.074 193 H LEU 6 H LEU 6 -4.386 -6.470 -7.893 194 HA LEU 6 HA LEU 6 -3.177 -7.222 -10.450 195 HB2 LEU 6 1HB LEU 6 -3.521 -4.609 -8.971 196 HB3 LEU 6 2HB LEU 6 -2.743 -4.708 -10.566 197 HG LEU 6 HG LEU 6 -5.531 -5.788 -10.081 198 HD11 LEU 6 1HD1 LEU 6 -5.637 -3.519 -9.379 199 HD12 LEU 6 2HD1 LEU 6 -6.353 -3.596 -10.998 200 HD13 LEU 6 3HD1 LEU 6 -4.689 -2.973 -10.763 201 HD21 LEU 6 3HD2 LEU 6 -4.434 -6.483 -12.196 202 HD22 LEU 6 1HD2 LEU 6 -4.065 -4.791 -12.571 203 HD23 LEU 6 2HD2 LEU 6 -5.750 -5.354 -12.539 204 H CYS 7 H CYS 7 -1.081 -7.415 -10.953 205 HA CYS 7 HA CYS 7 0.957 -6.395 -9.062 206 HB2 CYS 7 1HB CYS 7 0.211 -8.872 -8.613 207 HB3 CYS 7 2HB CYS 7 1.139 -9.246 -10.067 208 H GLY 8 H GLY 8 3.162 -6.484 -10.029 209 HA2 GLY 8 1HA GLY 8 4.582 -6.012 -11.755 210 HA3 GLY 8 2HA GLY 8 3.793 -7.374 -12.547 211 H SER 9 H SER 9 3.740 -6.792 -14.614 212 HA SER 9 HA SER 9 3.351 -4.184 -15.599 213 HB2 SER 9 1HB SER 9 2.437 -5.785 -17.612 214 HB3 SER 9 2HB SER 9 4.168 -5.522 -17.251 215 HG SER 9 HG SER 9 3.643 -7.761 -17.360 216 H HIS 10 H HIS 10 1.012 -6.681 -14.611 217 HA HIS 10 HA HIS 10 -1.262 -5.457 -15.843 218 HB2 HIS 10 1HB HIS 10 -0.776 -7.771 -14.416 219 HB3 HIS 10 2HB HIS 10 -1.777 -6.836 -13.305 220 HD1 HIS 10 HD1 HIS 10 -2.969 -9.416 -14.520 221 HD2 HIS 10 HD2 HIS 10 -3.301 -5.644 -16.326 222 HE1 HIS 10 HE1 HIS 10 -5.002 -9.501 -16.072 223 HE2 HIS 10 HE2 HIS 10 -5.168 -7.229 -17.157 224 H LEU 11 H LEU 11 0.368 -5.072 -12.698 225 HA LEU 11 HA LEU 11 -1.538 -3.201 -11.608 226 HB2 LEU 11 1HB LEU 11 0.830 -4.397 -10.761 227 HB3 LEU 11 2HB LEU 11 1.284 -2.720 -10.930 228 HG LEU 11 HG LEU 11 -0.950 -3.806 -9.184 229 HD11 LEU 11 1HD1 LEU 11 1.318 -4.334 -8.420 230 HD12 LEU 11 2HD1 LEU 11 0.530 -3.164 -7.359 231 HD13 LEU 11 3HD1 LEU 11 1.757 -2.604 -8.512 232 HD21 LEU 11 3HD2 LEU 11 0.054 -0.961 -9.441 233 HD22 LEU 11 1HD2 LEU 11 -1.140 -1.582 -8.274 234 HD23 LEU 11 2HD2 LEU 11 -1.520 -1.572 -9.988 235 H VAL 12 H VAL 12 1.451 -2.806 -13.570 236 HA VAL 12 HA VAL 12 1.384 0.062 -13.559 237 HB VAL 12 HB VAL 12 2.484 -1.766 -15.724 238 HG11 VAL 12 1HG1 VAL 12 3.066 1.172 -15.083 239 HG12 VAL 12 2HG1 VAL 12 3.950 0.192 -16.275 240 HG13 VAL 12 3HG1 VAL 12 2.243 0.548 -16.542 241 HG21 VAL 12 3HG2 VAL 12 4.669 -1.371 -14.580 242 HG22 VAL 12 1HG2 VAL 12 3.796 -0.528 -13.274 243 HG23 VAL 12 2HG2 VAL 12 3.521 -2.250 -13.558 244 H GLU 13 H GLU 13 -0.097 -2.326 -15.783 245 HA GLU 13 HA GLU 13 -1.216 -0.432 -17.620 246 HB2 GLU 13 1HB GLU 13 -1.998 -3.208 -16.725 247 HB3 GLU 13 2HB GLU 13 -3.038 -2.310 -17.819 248 HG2 GLU 13 1HG GLU 13 -1.302 -2.221 -19.474 249 HG3 GLU 13 2HG GLU 13 -0.114 -2.908 -18.343 250 HE2 GLU 13 HE2 GLU 13 -2.177 -5.242 -20.555 251 H ALA 14 H ALA 14 -2.482 -1.779 -14.539 252 HA ALA 14 HA ALA 14 -5.040 -0.543 -14.756 253 HB1 ALA 14 3HB ALA 14 -5.152 -0.901 -12.336 254 HB2 ALA 14 1HB ALA 14 -4.584 -2.332 -13.213 255 HB3 ALA 14 2HB ALA 14 -3.426 -1.328 -12.328 256 H LEU 15 H LEU 15 -1.985 0.549 -13.194 257 HA LEU 15 HA LEU 15 -3.011 3.043 -12.202 258 HB2 LEU 15 1HB LEU 15 -0.368 1.820 -12.725 259 HB3 LEU 15 2HB LEU 15 -0.402 3.570 -12.919 260 HG LEU 15 HG LEU 15 -1.171 2.100 -10.395 261 HD11 LEU 15 1HD1 LEU 15 0.920 3.077 -9.510 262 HD12 LEU 15 2HD1 LEU 15 1.291 3.710 -11.123 263 HD13 LEU 15 3HD1 LEU 15 1.217 1.949 -10.858 264 HD21 LEU 15 3HD2 LEU 15 -0.894 5.076 -11.001 265 HD22 LEU 15 1HD2 LEU 15 -1.084 4.391 -9.378 266 HD23 LEU 15 2HD2 LEU 15 -2.399 4.231 -10.551 267 H TYR 16 H TYR 16 -1.621 2.107 -15.364 268 HA TYR 16 HA TYR 16 -1.564 4.762 -16.391 269 HB2 TYR 16 1HB TYR 16 -0.305 3.086 -17.521 270 HB3 TYR 16 2HB TYR 16 -1.709 2.020 -17.660 271 HD1 TYR 16 HD1 TYR 16 -0.497 5.405 -18.762 272 HD2 TYR 16 HD2 TYR 16 -3.023 2.042 -19.612 273 HE1 TYR 16 HE1 TYR 16 -1.026 6.371 -20.992 274 HE2 TYR 16 HE2 TYR 16 -3.569 2.993 -21.841 275 HH TYR 16 HH TYR 16 -2.143 6.040 -22.992 276 H LEU 17 H LEU 17 -4.104 2.195 -16.508 277 HA LEU 17 HA LEU 17 -5.760 3.762 -18.250 278 HB2 LEU 17 1HB LEU 17 -6.329 1.449 -16.361 279 HB3 LEU 17 2HB LEU 17 -7.553 2.143 -17.424 280 HG LEU 17 HG LEU 17 -4.934 1.035 -18.495 281 HD11 LEU 17 1HD1 LEU 17 -7.572 -0.439 -18.176 282 HD12 LEU 17 2HD1 LEU 17 -6.085 -0.733 -17.236 283 HD13 LEU 17 3HD1 LEU 17 -6.105 -1.050 -18.978 284 HD21 LEU 17 3HD2 LEU 17 -6.222 0.804 -20.587 285 HD22 LEU 17 1HD2 LEU 17 -6.125 2.487 -20.028 286 HD23 LEU 17 2HD2 LEU 17 -7.620 1.567 -19.788 287 H VAL 18 H VAL 18 -5.608 3.432 -14.704 288 HA VAL 18 HA VAL 18 -7.975 5.089 -14.388 289 HB VAL 18 HB VAL 18 -7.403 3.259 -12.800 290 HG11 VAL 18 1HG1 VAL 18 -4.894 3.935 -12.799 291 HG12 VAL 18 2HG1 VAL 18 -5.362 5.037 -11.490 292 HG13 VAL 18 3HG1 VAL 18 -5.645 3.295 -11.337 293 HG21 VAL 18 3HG2 VAL 18 -8.929 5.077 -12.134 294 HG22 VAL 18 1HG2 VAL 18 -7.980 4.459 -10.765 295 HG23 VAL 18 2HG2 VAL 18 -7.537 6.005 -11.513 296 H CYS 19 H CYS 19 -4.474 5.714 -14.259 297 HA CYS 19 HA CYS 19 -5.154 8.594 -13.757 298 HB2 CYS 19 1HB CYS 19 -3.049 6.737 -12.666 299 HB3 CYS 19 2HB CYS 19 -2.790 8.466 -12.702 300 H GLY 20 H GLY 20 -2.851 6.355 -15.417 301 HA2 GLY 20 1HA GLY 20 -1.122 8.415 -16.320 302 HA3 GLY 20 2HA GLY 20 -1.306 6.829 -17.077 303 H GLU 21 H GLU 21 -4.232 7.334 -17.498 304 HA GLU 21 HA GLU 21 -3.995 8.839 -20.000 305 HB2 GLU 21 1HB GLU 21 -6.248 7.309 -18.672 306 HB3 GLU 21 2HB GLU 21 -6.405 8.130 -20.238 307 HG2 GLU 21 1HG GLU 21 -4.562 6.764 -21.143 308 HG3 GLU 21 2HG GLU 21 -4.441 5.910 -19.610 309 HE2 GLU 21 HE2 GLU 21 -4.900 4.923 -21.987 310 H ARG 22 H ARG 22 -4.108 10.064 -17.055 311 HA ARG 22 HA ARG 22 -5.890 12.321 -17.834 312 HB2 ARG 22 1HB ARG 22 -5.963 10.688 -15.290 313 HB3 ARG 22 2HB ARG 22 -6.405 12.398 -15.285 314 HG2 ARG 22 1HG ARG 22 -8.489 11.704 -15.764 315 HG3 ARG 22 2HG ARG 22 -7.868 11.463 -17.400 316 HD2 ARG 22 1HD ARG 22 -8.463 9.329 -17.218 317 HD3 ARG 22 2HD ARG 22 -7.136 9.117 -16.056 318 HE ARG 22 HE ARG 22 -9.204 10.165 -14.550 319 HH11 ARG 22 1HH1 ARG 22 -8.860 7.268 -16.543 320 HH12 ARG 22 2HH1 ARG 22 -10.067 6.404 -15.639 321 HH21 ARG 22 1HH2 ARG 22 -10.713 8.982 -13.420 322 HH22 ARG 22 2HH2 ARG 22 -11.070 7.343 -13.899 323 H GLY 23 H GLY 23 -3.322 11.164 -15.628 324 HA2 GLY 23 1HA GLY 23 -1.346 12.896 -15.861 325 HA3 GLY 23 2HA GLY 23 -2.531 13.953 -15.066 326 H GLY 24 H GLY 24 0.079 12.295 -14.317 327 HA2 GLY 24 1HA GLY 24 0.599 11.941 -11.940 328 HA3 GLY 24 2HA GLY 24 -1.027 11.271 -11.731 329 H PHE 25 H PHE 25 2.068 10.785 -13.430 330 HA PHE 25 HA PHE 25 1.882 7.866 -12.956 331 HB2 PHE 25 1HB PHE 25 0.804 8.524 -15.236 332 HB3 PHE 25 2HB PHE 25 2.447 8.929 -15.750 333 HD1 PHE 25 HD1 PHE 25 0.531 6.159 -14.057 334 HD2 PHE 25 HD2 PHE 25 3.694 7.217 -16.784 335 HE1 PHE 25 HE1 PHE 25 0.898 3.744 -14.570 336 HE2 PHE 25 HE2 PHE 25 4.034 4.805 -17.303 337 HZ PHE 25 HZ PHE 25 2.649 3.068 -16.190 338 H TYR 26 H TYR 26 3.950 7.058 -12.647 339 HA TYR 26 HA TYR 26 6.112 9.127 -12.725 340 HB2 TYR 26 1HB TYR 26 7.139 7.775 -10.926 341 HB3 TYR 26 2HB TYR 26 5.529 8.359 -10.489 342 HD1 TYR 26 HD2 TYR 26 7.434 5.329 -11.612 343 HD2 TYR 26 HD1 TYR 26 3.723 6.836 -10.011 344 HE1 TYR 26 HE2 TYR 26 6.672 3.015 -11.167 345 HE2 TYR 26 HE1 TYR 26 2.979 4.501 -9.569 346 HH TYR 26 HH TYR 26 5.041 1.675 -10.331 347 H NVA 27 H ARX 27 5.066 6.514 -14.376 348 HA NVA 27 HA ARX 27 5.875 4.945 -15.793 349 HB2 NVA 27 1HB ARX 27 6.501 7.341 -16.763 350 HB3 NVA 27 2HB ARX 27 8.142 6.759 -16.569 351 HG2 NVA 27 1HG ARX 27 7.013 4.552 -17.831 352 HG3 NVA 27 2HG ARX 27 5.908 5.799 -18.402 353 HD2 NVA 27 1HD ARX 27 7.551 5.651 -20.075 354 HD3 NVA 27 2HD ARX 27 8.055 7.111 -19.199 355 HA PRO 28 HA PRO 28 9.222 2.809 -13.453 356 HB2 PRO 28 1HB PRO 28 8.182 0.292 -13.546 357 HB3 PRO 28 2HB PRO 28 7.564 1.520 -12.411 358 HG2 PRO 28 1HG PRO 28 6.427 0.711 -15.069 359 HG3 PRO 28 2HG PRO 28 5.596 0.927 -13.506 360 HD2 PRO 28 1HD PRO 28 5.654 2.823 -15.481 361 HD3 PRO 28 2HD PRO 28 5.517 3.218 -13.730 362 H HIX 29 H HIX 29 10.496 3.435 -15.313 363 HA HIX 29 HA HIX 29 10.500 1.956 -17.784 364 HB1 HIX 29 1HB HIX 29 12.298 4.097 -16.592 365 HB2 HIX 29 2HB HIX 29 12.837 3.208 -18.034 366 HD2 HIX 29 HD2 HIX 29 9.181 4.634 -17.055 367 HD1 HIX 29 HD1 HIX 29 12.012 4.676 -20.183 368 H THR 30 H THR 30 11.769 0.667 -18.731 369 HA THR 30 HA THR 30 14.126 -0.670 -17.867 370 HB THR 30 HB THR 30 12.573 -3.019 -17.803 371 HG1 THR 30 HG1 THR 30 11.479 -1.120 -15.945 372 HG21 THR 30 1HG2 THR 30 13.260 -3.166 -15.411 373 HG22 THR 30 2HG2 THR 30 13.741 -1.481 -15.411 374 HG23 THR 30 3HG2 THR 30 14.600 -2.642 -16.423 375 HXT THR 30 H02 THR 30 11.255 -1.226 -19.355 Start of MODEL 8 1 H1 GLY 1 2H0 GLY 1 3.798 -0.297 1.504 2 H2 GLY 1 1H0 GLY 1 2.529 -1.335 1.519 3 HA2 GLY 1 1HA GLY 1 1.729 0.802 0.758 4 HA3 GLY 1 2HA GLY 1 3.007 0.827 -0.473 5 H ILE 2 H ILE 2 2.196 0.700 -2.369 6 HA ILE 2 HA ILE 2 -0.328 -0.353 -3.090 7 HB ILE 2 HB ILE 2 0.987 1.222 -4.516 8 HG12 ILE 2 1HG1 ILE 2 0.447 -1.365 -6.067 9 HG13 ILE 2 2HG1 ILE 2 -0.821 -0.276 -5.489 10 HG21 ILE 2 1HG2 ILE 2 2.800 -1.158 -5.246 11 HG22 ILE 2 2HG2 ILE 2 2.935 0.516 -5.825 12 HG23 ILE 2 3HG2 ILE 2 3.257 0.156 -4.134 13 HD11 ILE 2 3HD1 ILE 2 0.540 1.534 -6.785 14 HD12 ILE 2 1HD1 ILE 2 1.232 0.115 -7.614 15 HD13 ILE 2 2HD1 ILE 2 -0.529 0.406 -7.637 16 H VAL 3 H VAL 3 2.804 -1.984 -2.800 17 HA VAL 3 HA VAL 3 2.111 -4.259 -4.353 18 HB VAL 3 HB VAL 3 4.069 -3.949 -2.031 19 HG11 VAL 3 1HG1 VAL 3 3.554 -6.328 -2.316 20 HG12 VAL 3 2HG1 VAL 3 3.789 -6.217 -4.075 21 HG13 VAL 3 3HG1 VAL 3 5.170 -6.004 -2.968 22 HG21 VAL 3 3HG2 VAL 3 5.754 -3.836 -3.877 23 HG22 VAL 3 1HG2 VAL 3 4.431 -3.818 -5.068 24 HG23 VAL 3 2HG2 VAL 3 4.624 -2.488 -3.902 25 H GLU 4 H GLU 4 1.930 -3.661 -0.803 26 HA GLU 4 HA GLU 4 0.783 -6.242 -0.299 27 HB2 GLU 4 1HB GLU 4 0.843 -3.732 1.397 28 HB3 GLU 4 2HB GLU 4 0.393 -5.355 1.963 29 HG2 GLU 4 1HG GLU 4 2.685 -6.123 1.221 30 HG3 GLU 4 2HG GLU 4 3.106 -4.423 0.973 31 HE2 GLU 4 HE2 GLU 4 2.737 -3.847 4.458 32 H GLN 5 H GLN 5 -0.586 -3.130 -1.132 33 HA GLN 5 HA GLN 5 -3.281 -3.963 -0.307 34 HB2 GLN 5 1HB GLN 5 -2.041 -1.488 -1.461 35 HB3 GLN 5 2HB GLN 5 -3.791 -1.719 -1.578 36 HG2 GLN 5 1HG GLN 5 -2.275 -1.897 1.038 37 HG3 GLN 5 2HG GLN 5 -3.036 -0.409 0.428 38 HE21 GLN 5 2HE2 GLN 5 -3.515 -3.001 2.437 39 HE22 GLN 5 1HE2 GLN 5 -5.254 -3.015 2.456 40 H CYS 6 H CYS 6 -1.395 -4.029 -3.277 41 HA CYS 6 HA CYS 6 -3.908 -4.622 -4.761 42 HB2 CYS 6 1HB CYS 6 -2.539 -2.494 -5.214 43 HB3 CYS 6 2HB CYS 6 -1.361 -3.562 -5.957 44 H CYS 7 H CYS 7 -0.439 -5.555 -4.538 45 HA CYS 7 HA CYS 7 -0.969 -7.799 -6.371 46 HB2 CYS 7 1HB CYS 7 1.277 -6.636 -6.083 47 HB3 CYS 7 2HB CYS 7 1.400 -7.439 -4.510 48 H THR 8 H THR 8 -0.195 -7.449 -2.878 49 HA THR 8 HA THR 8 -0.861 -10.188 -2.282 50 HB THR 8 HB THR 8 -0.717 -7.846 -0.349 51 HG1 THR 8 HG1 THR 8 1.441 -9.517 -1.039 52 HG21 THR 8 1HG2 THR 8 -0.156 -10.823 -0.042 53 HG22 THR 8 2HG2 THR 8 -1.510 -9.927 0.674 54 HG23 THR 8 3HG2 THR 8 0.148 -9.592 1.205 55 H SER 9 H SER 9 -2.701 -7.107 -1.890 56 HA SER 9 HA SER 9 -5.060 -8.759 -1.076 57 HB2 SER 9 1HB SER 9 -4.629 -5.820 -0.605 58 HB3 SER 9 2HB SER 9 -5.897 -6.847 0.072 59 HG SER 9 HG SER 9 -3.129 -6.772 0.650 60 H ILE 10 H ILE 10 -7.152 -7.210 -1.521 61 HA ILE 10 HA ILE 10 -7.251 -7.020 -4.476 62 HB ILE 10 HB ILE 10 -9.380 -6.653 -2.295 63 HG12 ILE 10 1HG1 ILE 10 -8.547 -8.965 -2.531 64 HG13 ILE 10 2HG1 ILE 10 -10.256 -8.793 -2.926 65 HG21 ILE 10 1HG2 ILE 10 -11.018 -6.835 -4.258 66 HG22 ILE 10 2HG2 ILE 10 -10.109 -5.316 -4.149 67 HG23 ILE 10 3HG2 ILE 10 -9.629 -6.558 -5.333 68 HD11 ILE 10 3HD1 ILE 10 -8.011 -9.003 -4.973 69 HD12 ILE 10 1HD1 ILE 10 -9.097 -10.319 -4.494 70 HD13 ILE 10 2HD1 ILE 10 -9.752 -8.899 -5.335 71 H CYS 11 H CYS 11 -6.861 -5.159 -5.487 72 HA CYS 11 HA CYS 11 -7.169 -2.621 -3.937 73 HB2 CYS 11 1HB CYS 11 -5.794 -1.707 -5.894 74 HB3 CYS 11 2HB CYS 11 -4.971 -2.761 -4.747 75 H SER 12 H SER 12 -8.071 -0.837 -4.981 76 HA SER 12 HA SER 12 -9.886 -1.484 -7.278 77 HB2 SER 12 1HB SER 12 -10.396 0.401 -4.925 78 HB3 SER 12 2HB SER 12 -11.495 0.104 -6.284 79 HG SER 12 HG SER 12 -12.022 -1.149 -4.411 80 H LEU 13 H LEU 13 -10.299 0.406 -8.621 81 HA LEU 13 HA LEU 13 -8.017 1.858 -9.326 82 HB2 LEU 13 1HB LEU 13 -9.453 3.155 -10.731 83 HB3 LEU 13 2HB LEU 13 -9.942 1.493 -10.790 84 HG LEU 13 HG LEU 13 -11.462 3.479 -9.096 85 HD11 LEU 13 1HD1 LEU 13 -12.911 3.873 -11.045 86 HD12 LEU 13 2HD1 LEU 13 -11.821 2.892 -12.060 87 HD13 LEU 13 3HD1 LEU 13 -11.255 4.421 -11.344 88 HD21 LEU 13 3HD2 LEU 13 -13.382 1.960 -9.642 89 HD22 LEU 13 1HD2 LEU 13 -12.106 1.132 -8.737 90 HD23 LEU 13 2HD2 LEU 13 -12.259 0.886 -10.492 91 H TYR 14 H TYR 14 -10.541 2.662 -7.002 92 HA TYR 14 HA TYR 14 -9.956 5.404 -6.646 93 HB2 TYR 14 1HB TYR 14 -11.930 4.144 -5.757 94 HB3 TYR 14 2HB TYR 14 -10.870 3.390 -4.561 95 HD1 TYR 14 HD2 TYR 14 -12.383 6.617 -5.650 96 HD2 TYR 14 HD1 TYR 14 -10.154 4.588 -2.587 97 HE1 TYR 14 HE2 TYR 14 -12.757 8.533 -4.087 98 HE2 TYR 14 HE1 TYR 14 -10.523 6.494 -1.044 99 HH TYR 14 HH TYR 14 -11.471 8.558 -0.767 100 H GLN 15 H GLN 15 -8.550 2.512 -5.023 101 HA GLN 15 HA GLN 15 -6.812 4.150 -3.375 102 HB2 GLN 15 1HB GLN 15 -6.785 1.202 -4.074 103 HB3 GLN 15 2HB GLN 15 -5.573 1.963 -3.033 104 HG2 GLN 15 1HG GLN 15 -8.536 2.088 -2.434 105 HG3 GLN 15 2HG GLN 15 -7.493 0.791 -1.853 106 HE21 GLN 15 2HE2 GLN 15 -8.402 1.702 0.227 107 HE22 GLN 15 1HE2 GLN 15 -7.471 2.973 0.998 108 H LEU 16 H LEU 16 -6.560 2.485 -6.537 109 HA LEU 16 HA LEU 16 -3.760 2.910 -6.843 110 HB2 LEU 16 1HB LEU 16 -6.045 2.331 -8.626 111 HB3 LEU 16 2HB LEU 16 -4.659 3.112 -9.382 112 HG LEU 16 HG LEU 16 -3.184 1.328 -8.573 113 HD11 LEU 16 1HD1 LEU 16 -5.726 -0.028 -7.598 114 HD12 LEU 16 2HD1 LEU 16 -4.416 0.606 -6.563 115 HD13 LEU 16 3HD1 LEU 16 -4.105 -0.735 -7.660 116 HD21 LEU 16 3HD2 LEU 16 -4.001 -0.430 -10.089 117 HD22 LEU 16 1HD2 LEU 16 -4.225 1.182 -10.790 118 HD23 LEU 16 2HD2 LEU 16 -5.611 0.339 -10.096 119 H GLU 17 H GLU 17 -6.476 5.166 -7.356 120 HA GLU 17 HA GLU 17 -4.955 7.189 -8.679 121 HB2 GLU 17 1HB GLU 17 -7.274 7.380 -6.736 122 HB3 GLU 17 2HB GLU 17 -6.572 8.778 -7.541 123 HG2 GLU 17 1HG GLU 17 -7.125 7.850 -9.726 124 HG3 GLU 17 2HG GLU 17 -7.817 6.413 -8.954 125 HE2 GLU 17 HE2 GLU 17 -9.949 9.597 -9.387 126 H ASN 18 H ASN 18 -5.116 6.243 -5.226 127 HA ASN 18 HA ASN 18 -3.723 8.626 -4.312 128 HB2 ASN 18 1HB ASN 18 -4.098 5.924 -3.000 129 HB3 ASN 18 2HB ASN 18 -3.446 7.355 -2.200 130 HD21 ASN 18 2HD2 ASN 18 -5.909 5.634 -1.801 131 HD22 ASN 18 1HD2 ASN 18 -7.214 6.794 -1.788 132 H TYR 19 H TYR 19 -2.768 5.738 -5.905 133 HA TYR 19 HA TYR 19 0.040 6.006 -4.944 134 HB2 TYR 19 1HB TYR 19 -1.153 4.008 -6.883 135 HB3 TYR 19 2HB TYR 19 0.452 3.938 -6.144 136 HD1 TYR 19 HD1 TYR 19 -0.282 4.656 -3.278 137 HD2 TYR 19 HD2 TYR 19 -2.166 2.022 -6.102 138 HE1 TYR 19 HE1 TYR 19 -1.273 3.344 -1.402 139 HE2 TYR 19 HE2 TYR 19 -3.149 0.710 -4.218 140 HH TYR 19 HH TYR 19 -2.707 1.651 -0.817 141 H CYS 20 H CYS 20 -1.900 7.500 -7.118 142 HA CYS 20 HA CYS 20 0.264 7.811 -9.166 143 HB2 CYS 20 1HB CYS 20 -2.174 7.304 -9.837 144 HB3 CYS 20 2HB CYS 20 -2.559 8.920 -9.225 145 H ASN 21 H ASN 21 -2.050 9.505 -7.071 146 HA ASN 21 HA ASN 21 -2.091 11.509 -6.048 147 HB2 ASN 21 1HB ASN 21 -0.146 10.413 -4.840 148 HB3 ASN 21 2HB ASN 21 0.952 11.294 -5.895 149 HD21 ASN 21 2HD2 ASN 21 1.661 13.143 -5.111 150 HD22 ASN 21 1HD2 ASN 21 0.808 14.164 -3.977 151 HXT ASN 21 H02 ASN 21 0.091 13.621 -8.456 152 H1 PHE 1 2H0 PHE 1 -12.420 -0.597 -16.192 153 H2 PHE 1 1H0 PHE 1 -13.537 -1.726 -15.772 154 HA PHE 1 HA PHE 1 -11.311 -2.013 -14.656 155 HB2 PHE 1 1HB PHE 1 -11.216 0.561 -14.398 156 HB3 PHE 1 2HB PHE 1 -12.304 0.374 -13.041 157 HD1 PHE 1 HD1 PHE 1 -11.465 -1.439 -11.184 158 HD2 PHE 1 HD2 PHE 1 -8.942 0.609 -14.021 159 HE1 PHE 1 HE1 PHE 1 -9.492 -1.878 -9.750 160 HE2 PHE 1 HE2 PHE 1 -6.990 0.206 -12.565 161 HZ PHE 1 HZ PHE 1 -7.262 -1.070 -10.431 162 H VAL 2 H VAL 2 -11.437 -3.667 -13.367 163 HA VAL 2 HA VAL 2 -13.631 -3.763 -11.350 164 HB VAL 2 HB VAL 2 -12.343 -6.128 -12.786 165 HG11 VAL 2 1HG1 VAL 2 -14.608 -5.996 -10.739 166 HG12 VAL 2 2HG1 VAL 2 -14.091 -7.450 -11.620 167 HG13 VAL 2 3HG1 VAL 2 -12.985 -6.679 -10.467 168 HG21 VAL 2 3HG2 VAL 2 -14.633 -6.435 -13.779 169 HG22 VAL 2 1HG2 VAL 2 -15.131 -4.893 -13.044 170 HG23 VAL 2 2HG2 VAL 2 -13.870 -4.917 -14.296 171 H ASN 3 H ASN 3 -13.033 -4.153 -9.288 172 HA ASN 3 HA ASN 3 -10.228 -3.951 -8.572 173 HB2 ASN 3 1HB ASN 3 -11.097 -4.239 -6.274 174 HB3 ASN 3 2HB ASN 3 -11.878 -2.935 -7.162 175 HD21 ASN 3 2HD2 ASN 3 -12.355 -5.733 -5.338 176 HD22 ASN 3 1HD2 ASN 3 -14.059 -5.917 -5.672 177 H GLN 4 H GLN 4 -8.780 -5.484 -8.259 178 HA GLN 4 HA GLN 4 -9.421 -8.255 -7.512 179 HB2 GLN 4 1HB GLN 4 -8.687 -9.252 -9.638 180 HB3 GLN 4 2HB GLN 4 -10.095 -8.233 -9.908 181 HG2 GLN 4 1HG GLN 4 -8.478 -6.395 -10.607 182 HG3 GLN 4 2HG GLN 4 -7.235 -7.645 -10.619 183 HE21 GLN 4 2HE2 GLN 4 -9.892 -6.208 -12.239 184 HE22 GLN 4 1HE2 GLN 4 -9.891 -7.260 -13.637 185 H HIS 5 H HIS 5 -7.212 -9.536 -7.937 186 HA HIS 5 HA HIS 5 -5.085 -7.937 -6.718 187 HB2 HIS 5 1HB HIS 5 -5.167 -10.780 -7.804 188 HB3 HIS 5 2HB HIS 5 -3.752 -10.058 -7.037 189 HD1 HIS 5 HD1 HIS 5 -3.993 -9.391 -4.447 190 HD2 HIS 5 HD2 HIS 5 -7.042 -11.795 -6.028 191 HE1 HIS 5 HE1 HIS 5 -5.286 -10.333 -2.467 192 HE2 HIS 5 HE2 HIS 5 -7.086 -11.838 -3.428 193 H LEU 6 H LEU 6 -3.484 -6.891 -7.782 194 HA LEU 6 HA LEU 6 -2.986 -7.648 -10.640 195 HB2 LEU 6 1HB LEU 6 -3.500 -4.877 -9.522 196 HB3 LEU 6 2HB LEU 6 -2.750 -5.154 -11.085 197 HG LEU 6 HG LEU 6 -5.443 -6.367 -10.513 198 HD11 LEU 6 1HD1 LEU 6 -5.764 -4.096 -9.849 199 HD12 LEU 6 2HD1 LEU 6 -6.463 -4.282 -11.472 200 HD13 LEU 6 3HD1 LEU 6 -4.873 -3.498 -11.260 201 HD21 LEU 6 3HD2 LEU 6 -4.275 -7.007 -12.562 202 HD22 LEU 6 1HD2 LEU 6 -4.084 -5.292 -13.008 203 HD23 LEU 6 2HD2 LEU 6 -5.701 -6.027 -12.948 204 H CYS 7 H CYS 7 -0.840 -7.510 -11.186 205 HA CYS 7 HA CYS 7 1.046 -6.336 -9.247 206 HB2 CYS 7 1HB CYS 7 0.361 -8.898 -8.811 207 HB3 CYS 7 2HB CYS 7 1.598 -9.166 -10.051 208 H GLY 8 H GLY 8 3.339 -6.460 -10.151 209 HA2 GLY 8 1HA GLY 8 4.770 -5.948 -11.867 210 HA3 GLY 8 2HA GLY 8 4.011 -7.308 -12.704 211 H SER 9 H SER 9 3.987 -6.591 -14.749 212 HA SER 9 HA SER 9 3.406 -3.975 -15.608 213 HB2 SER 9 1HB SER 9 2.687 -6.423 -17.218 214 HB3 SER 9 2HB SER 9 3.410 -4.887 -17.754 215 HG SER 9 HG SER 9 5.147 -6.164 -17.634 216 H HIS 10 H HIS 10 1.200 -6.570 -14.642 217 HA HIS 10 HA HIS 10 -1.124 -5.377 -15.882 218 HB2 HIS 10 1HB HIS 10 -0.565 -7.713 -14.390 219 HB3 HIS 10 2HB HIS 10 -1.790 -6.830 -13.468 220 HD1 HIS 10 HD1 HIS 10 -2.590 -9.517 -14.766 221 HD2 HIS 10 HD2 HIS 10 -2.953 -5.824 -16.712 222 HE1 HIS 10 HE1 HIS 10 -4.337 -9.809 -16.594 223 HE2 HIS 10 HE2 HIS 10 -4.547 -7.571 -17.746 224 H LEU 11 H LEU 11 0.474 -5.073 -12.712 225 HA LEU 11 HA LEU 11 -1.479 -3.285 -11.526 226 HB2 LEU 11 1HB LEU 11 0.940 -4.416 -10.750 227 HB3 LEU 11 2HB LEU 11 1.297 -2.713 -10.855 228 HG LEU 11 HG LEU 11 -0.936 -3.950 -9.241 229 HD11 LEU 11 1HD1 LEU 11 1.304 -4.388 -8.313 230 HD12 LEU 11 2HD1 LEU 11 0.395 -3.265 -7.295 231 HD13 LEU 11 3HD1 LEU 11 1.672 -2.648 -8.367 232 HD21 LEU 11 3HD2 LEU 11 -1.637 -1.767 -9.962 233 HD22 LEU 11 1HD2 LEU 11 -0.065 -1.071 -9.525 234 HD23 LEU 11 2HD2 LEU 11 -1.160 -1.679 -8.263 235 H VAL 12 H VAL 12 1.530 -2.744 -13.437 236 HA VAL 12 HA VAL 12 1.358 0.103 -13.398 237 HB VAL 12 HB VAL 12 2.552 -1.703 -15.562 238 HG11 VAL 12 1HG1 VAL 12 3.079 1.240 -14.946 239 HG12 VAL 12 2HG1 VAL 12 3.983 0.262 -16.126 240 HG13 VAL 12 3HG1 VAL 12 2.260 0.607 -16.391 241 HG21 VAL 12 3HG2 VAL 12 3.555 -2.120 -13.342 242 HG22 VAL 12 1HG2 VAL 12 4.702 -1.266 -14.379 243 HG23 VAL 12 2HG2 VAL 12 3.815 -0.377 -13.126 244 H GLU 13 H GLU 13 -0.008 -2.261 -15.734 245 HA GLU 13 HA GLU 13 -1.121 -0.366 -17.523 246 HB2 GLU 13 1HB GLU 13 -1.798 -3.195 -16.742 247 HB3 GLU 13 2HB GLU 13 -2.885 -2.313 -17.801 248 HG2 GLU 13 1HG GLU 13 -1.214 -2.029 -19.465 249 HG3 GLU 13 2HG GLU 13 0.059 -2.633 -18.389 250 HE2 GLU 13 HE2 GLU 13 -0.504 -3.527 -20.790 251 H ALA 14 H ALA 14 -2.497 -1.862 -14.560 252 HA ALA 14 HA ALA 14 -5.078 -0.640 -14.878 253 HB1 ALA 14 3HB ALA 14 -5.338 -1.161 -12.477 254 HB2 ALA 14 1HB ALA 14 -4.674 -2.535 -13.388 255 HB3 ALA 14 2HB ALA 14 -3.601 -1.538 -12.385 256 H LEU 15 H LEU 15 -2.135 0.415 -13.145 257 HA LEU 15 HA LEU 15 -3.273 2.825 -12.091 258 HB2 LEU 15 1HB LEU 15 -0.774 1.487 -12.069 259 HB3 LEU 15 2HB LEU 15 -0.454 3.067 -12.772 260 HG LEU 15 HG LEU 15 -1.743 2.549 -10.064 261 HD11 LEU 15 1HD1 LEU 15 0.628 1.990 -10.126 262 HD12 LEU 15 2HD1 LEU 15 0.373 3.484 -9.192 263 HD13 LEU 15 3HD1 LEU 15 1.003 3.576 -10.858 264 HD21 LEU 15 3HD2 LEU 15 -2.578 4.656 -11.006 265 HD22 LEU 15 1HD2 LEU 15 -0.908 5.199 -11.352 266 HD23 LEU 15 2HD2 LEU 15 -1.470 4.959 -9.673 267 H TYR 16 H TYR 16 -1.689 2.036 -15.210 268 HA TYR 16 HA TYR 16 -1.692 4.726 -16.206 269 HB2 TYR 16 1HB TYR 16 -0.350 3.180 -17.385 270 HB3 TYR 16 2HB TYR 16 -1.654 2.002 -17.486 271 HD1 TYR 16 HD2 TYR 16 -0.573 5.338 -18.785 272 HD2 TYR 16 HD1 TYR 16 -3.191 1.972 -19.307 273 HE1 TYR 16 HE2 TYR 16 -1.268 6.220 -21.021 274 HE2 TYR 16 HE1 TYR 16 -3.881 2.848 -21.536 275 HH TYR 16 HH TYR 16 -2.573 5.868 -22.889 276 H LEU 17 H LEU 17 -4.154 2.090 -16.379 277 HA LEU 17 HA LEU 17 -5.825 3.550 -18.169 278 HB2 LEU 17 1HB LEU 17 -6.371 1.309 -16.214 279 HB3 LEU 17 2HB LEU 17 -7.611 1.966 -17.275 280 HG LEU 17 HG LEU 17 -5.008 0.854 -18.342 281 HD11 LEU 17 1HD1 LEU 17 -7.622 -0.646 -18.000 282 HD12 LEU 17 2HD1 LEU 17 -6.152 -0.903 -17.028 283 HD13 LEU 17 3HD1 LEU 17 -6.136 -1.258 -18.771 284 HD21 LEU 17 3HD2 LEU 17 -6.329 0.578 -20.418 285 HD22 LEU 17 1HD2 LEU 17 -6.232 2.272 -19.902 286 HD23 LEU 17 2HD2 LEU 17 -7.718 1.339 -19.612 287 H VAL 18 H VAL 18 -5.748 3.354 -14.600 288 HA VAL 18 HA VAL 18 -8.062 5.068 -14.417 289 HB VAL 18 HB VAL 18 -7.628 3.376 -12.692 290 HG11 VAL 18 1HG1 VAL 18 -5.164 3.584 -12.653 291 HG12 VAL 18 2HG1 VAL 18 -5.337 5.098 -11.735 292 HG13 VAL 18 3HG1 VAL 18 -5.942 3.573 -11.056 293 HG21 VAL 18 3HG2 VAL 18 -9.016 5.312 -12.119 294 HG22 VAL 18 1HG2 VAL 18 -8.061 4.780 -10.722 295 HG23 VAL 18 2HG2 VAL 18 -7.563 6.222 -11.616 296 H CYS 19 H CYS 19 -4.563 5.646 -14.262 297 HA CYS 19 HA CYS 19 -5.229 8.537 -13.773 298 HB2 CYS 19 1HB CYS 19 -4.110 7.245 -11.904 299 HB3 CYS 19 2HB CYS 19 -2.702 7.111 -12.951 300 H GLY 20 H GLY 20 -2.919 6.366 -15.456 301 HA2 GLY 20 1HA GLY 20 -1.366 8.458 -16.568 302 HA3 GLY 20 2HA GLY 20 -1.538 6.838 -17.260 303 H GLU 21 H GLU 21 -4.408 6.998 -17.658 304 HA GLU 21 HA GLU 21 -4.477 8.434 -20.176 305 HB2 GLU 21 1HB GLU 21 -6.687 7.149 -18.524 306 HB3 GLU 21 2HB GLU 21 -6.865 7.766 -20.178 307 HG2 GLU 21 1HG GLU 21 -5.065 6.173 -20.902 308 HG3 GLU 21 2HG GLU 21 -5.102 5.466 -19.284 309 HE2 GLU 21 HE2 GLU 21 -7.401 5.202 -18.640 310 H ARG 22 H ARG 22 -4.756 9.600 -17.012 311 HA ARG 22 HA ARG 22 -6.547 11.850 -17.883 312 HB2 ARG 22 1HB ARG 22 -6.101 10.453 -15.279 313 HB3 ARG 22 2HB ARG 22 -6.193 12.216 -15.217 314 HG2 ARG 22 1HG ARG 22 -8.405 11.837 -15.003 315 HG3 ARG 22 2HG ARG 22 -8.336 11.768 -16.763 316 HD2 ARG 22 1HD ARG 22 -9.189 9.715 -16.683 317 HD3 ARG 22 2HD ARG 22 -7.704 9.157 -15.883 318 HE ARG 22 HE ARG 22 -9.269 10.347 -13.889 319 HH11 ARG 22 1HH1 ARG 22 -9.587 7.565 -16.023 320 HH12 ARG 22 2HH1 ARG 22 -10.630 6.722 -14.916 321 HH21 ARG 22 1HH2 ARG 22 -10.577 9.215 -12.519 322 HH22 ARG 22 2HH2 ARG 22 -11.170 7.632 -12.948 323 H GLY 23 H GLY 23 -3.303 10.985 -16.747 324 HA2 GLY 23 1HA GLY 23 -1.592 12.631 -17.513 325 HA3 GLY 23 2HA GLY 23 -2.613 13.886 -16.782 326 H GLY 24 H GLY 24 0.138 12.747 -16.258 327 HA2 GLY 24 1HA GLY 24 1.199 13.222 -14.118 328 HA3 GLY 24 2HA GLY 24 -0.218 12.598 -13.301 329 H PHE 25 H PHE 25 1.078 10.747 -15.993 330 HA PHE 25 HA PHE 25 1.660 8.575 -14.152 331 HB2 PHE 25 1HB PHE 25 0.711 8.557 -16.608 332 HB3 PHE 25 2HB PHE 25 2.421 8.519 -17.042 333 HD1 PHE 25 HD1 PHE 25 0.198 6.894 -14.470 334 HD2 PHE 25 HD2 PHE 25 3.220 6.362 -17.482 335 HE1 PHE 25 HE1 PHE 25 0.208 4.489 -14.014 336 HE2 PHE 25 HE2 PHE 25 3.223 3.897 -17.033 337 HZ PHE 25 HZ PHE 25 1.709 2.957 -15.290 338 H TYR 26 H TYR 26 3.681 7.474 -13.917 339 HA TYR 26 HA TYR 26 5.997 9.338 -14.222 340 HB2 TYR 26 1HB TYR 26 6.933 8.090 -12.292 341 HB3 TYR 26 2HB TYR 26 5.400 8.863 -11.927 342 HD1 TYR 26 HD2 TYR 26 6.991 5.576 -12.687 343 HD2 TYR 26 HD1 TYR 26 3.454 7.585 -11.263 344 HE1 TYR 26 HE2 TYR 26 6.023 3.398 -11.967 345 HE2 TYR 26 HE1 TYR 26 2.502 5.395 -10.556 346 HH TYR 26 HH TYR 26 2.877 3.132 -10.348 347 H NVA 27 H ARX 27 4.776 6.612 -15.603 348 HA NVA 27 HA ARX 27 5.527 4.781 -16.761 349 HB2 NVA 27 1HB ARX 27 5.963 7.057 -18.129 350 HB3 NVA 27 2HB ARX 27 7.629 6.497 -18.054 351 HG2 NVA 27 1HG ARX 27 6.362 4.136 -18.823 352 HG3 NVA 27 2HG ARX 27 5.227 5.304 -19.472 353 HD2 NVA 27 1HD ARX 27 6.635 4.951 -21.259 354 HD3 NVA 27 2HD ARX 27 7.356 6.422 -20.618 355 HA PRO 28 HA PRO 28 9.270 3.163 -14.612 356 HB2 PRO 28 1HB PRO 28 8.293 0.768 -13.809 357 HB3 PRO 28 2HB PRO 28 7.876 2.290 -12.960 358 HG2 PRO 28 1HG PRO 28 6.268 0.780 -15.019 359 HG3 PRO 28 2HG PRO 28 5.733 1.461 -13.450 360 HD2 PRO 28 1HD PRO 28 5.419 2.716 -15.899 361 HD3 PRO 28 2HD PRO 28 5.536 3.598 -14.331 362 H HIX 29 H HIX 29 10.130 3.215 -16.800 363 HA HIX 29 HA HIX 29 9.641 1.207 -18.800 364 HB1 HIX 29 1HB HIX 29 11.807 3.317 -18.456 365 HB2 HIX 29 2HB HIX 29 11.875 2.140 -19.769 366 HD2 HIX 29 HD2 HIX 29 8.587 4.073 -18.382 367 HD1 HIX 29 HD1 HIX 29 10.885 3.540 -21.886 368 H THR 30 H THR 30 10.026 -0.825 -18.737 369 HA THR 30 HA THR 30 12.607 -2.006 -18.360 370 HB THR 30 HB THR 30 12.082 -1.655 -15.962 371 HG1 THR 30 HG1 THR 30 12.393 -3.830 -15.349 372 HG21 THR 30 1HG2 THR 30 9.559 -1.777 -16.086 373 HG22 THR 30 2HG2 THR 30 10.225 -2.845 -14.841 374 HG23 THR 30 3HG2 THR 30 9.673 -3.518 -16.386 375 HXT THR 30 H02 THR 30 11.264 -4.672 -19.826 Start of MODEL 9 1 H1 GLY 1 2H0 GLY 1 1.991 -0.590 1.709 2 H2 GLY 1 1H0 GLY 1 3.064 -1.676 1.129 3 HA2 GLY 1 1HA GLY 1 2.467 0.995 -0.045 4 HA3 GLY 1 2HA GLY 1 3.744 -0.079 -0.643 5 H ILE 2 H ILE 2 2.395 0.569 -2.587 6 HA ILE 2 HA ILE 2 -0.170 -0.461 -3.080 7 HB ILE 2 HB ILE 2 0.897 1.146 -4.591 8 HG12 ILE 2 1HG1 ILE 2 0.292 -1.438 -6.114 9 HG13 ILE 2 2HG1 ILE 2 -0.926 -0.383 -5.400 10 HG21 ILE 2 1HG2 ILE 2 2.735 -1.106 -5.561 11 HG22 ILE 2 2HG2 ILE 2 2.717 0.571 -6.125 12 HG23 ILE 2 3HG2 ILE 2 3.250 0.207 -4.479 13 HD11 ILE 2 3HD1 ILE 2 0.884 0.086 -7.718 14 HD12 ILE 2 1HD1 ILE 2 -0.886 0.241 -7.591 15 HD13 ILE 2 2HD1 ILE 2 0.162 1.465 -6.836 16 H VAL 3 H VAL 3 2.948 -2.203 -3.289 17 HA VAL 3 HA VAL 3 1.859 -4.409 -4.717 18 HB VAL 3 HB VAL 3 4.284 -3.947 -4.503 19 HG11 VAL 3 1HG1 VAL 3 5.558 -4.576 -2.540 20 HG12 VAL 3 2HG1 VAL 3 4.330 -3.396 -2.061 21 HG13 VAL 3 3HG1 VAL 3 4.097 -5.121 -1.694 22 HG21 VAL 3 3HG2 VAL 3 3.501 -6.144 -5.250 23 HG22 VAL 3 1HG2 VAL 3 5.029 -6.268 -4.350 24 HG23 VAL 3 2HG2 VAL 3 3.499 -6.728 -3.571 25 H GLU 4 H GLU 4 1.962 -3.706 -1.207 26 HA GLU 4 HA GLU 4 0.956 -6.321 -0.468 27 HB2 GLU 4 1HB GLU 4 1.067 -3.686 1.036 28 HB3 GLU 4 2HB GLU 4 0.600 -5.237 1.750 29 HG2 GLU 4 1HG GLU 4 2.829 -6.166 1.185 30 HG3 GLU 4 2HG GLU 4 3.305 -4.599 0.506 31 HE2 GLU 4 HE2 GLU 4 4.563 -4.667 3.796 32 H GLN 5 H GLN 5 -0.496 -3.265 -1.397 33 HA GLN 5 HA GLN 5 -3.144 -4.056 -0.421 34 HB2 GLN 5 1HB GLN 5 -2.165 -1.719 -2.089 35 HB3 GLN 5 2HB GLN 5 -3.858 -1.975 -1.639 36 HG2 GLN 5 1HG GLN 5 -2.380 -2.198 0.762 37 HG3 GLN 5 2HG GLN 5 -1.717 -0.807 -0.095 38 HE21 GLN 5 2HE2 GLN 5 -3.547 -1.265 2.333 39 HE22 GLN 5 1HE2 GLN 5 -4.871 -0.155 2.056 40 H CYS 6 H CYS 6 -1.460 -3.917 -3.559 41 HA CYS 6 HA CYS 6 -3.964 -4.846 -4.861 42 HB2 CYS 6 1HB CYS 6 -1.403 -3.672 -5.966 43 HB3 CYS 6 2HB CYS 6 -2.749 -4.252 -6.955 44 H CYS 7 H CYS 7 -0.471 -5.780 -4.640 45 HA CYS 7 HA CYS 7 -1.059 -8.075 -6.392 46 HB2 CYS 7 1HB CYS 7 1.204 -6.921 -6.156 47 HB3 CYS 7 2HB CYS 7 1.367 -7.752 -4.608 48 H THR 8 H THR 8 -0.159 -7.688 -2.937 49 HA THR 8 HA THR 8 -0.796 -10.396 -2.252 50 HB THR 8 HB THR 8 -0.631 -7.958 -0.443 51 HG1 THR 8 HG1 THR 8 1.426 -9.747 -1.258 52 HG21 THR 8 1HG2 THR 8 0.212 -9.622 1.207 53 HG22 THR 8 2HG2 THR 8 -0.184 -10.923 0.065 54 HG23 THR 8 3HG2 THR 8 -1.478 -9.911 0.756 55 H SER 9 H SER 9 -2.659 -7.344 -1.893 56 HA SER 9 HA SER 9 -4.996 -9.016 -1.045 57 HB2 SER 9 1HB SER 9 -4.632 -6.068 -0.522 58 HB3 SER 9 2HB SER 9 -5.736 -7.194 0.271 59 HG SER 9 HG SER 9 -2.927 -6.909 0.539 60 H ILE 10 H ILE 10 -7.066 -7.336 -1.377 61 HA ILE 10 HA ILE 10 -7.202 -6.969 -4.331 62 HB ILE 10 HB ILE 10 -9.351 -6.865 -2.154 63 HG12 ILE 10 1HG1 ILE 10 -8.489 -9.146 -2.576 64 HG13 ILE 10 2HG1 ILE 10 -10.187 -8.946 -2.999 65 HG21 ILE 10 1HG2 ILE 10 -9.579 -6.528 -5.178 66 HG22 ILE 10 2HG2 ILE 10 -10.974 -6.894 -4.131 67 HG23 ILE 10 3HG2 ILE 10 -10.066 -5.381 -3.915 68 HD11 ILE 10 3HD1 ILE 10 -9.604 -8.814 -5.392 69 HD12 ILE 10 1HD1 ILE 10 -7.882 -8.976 -4.982 70 HD13 ILE 10 2HD1 ILE 10 -9.001 -10.322 -4.669 71 H CYS 11 H CYS 11 -7.225 -4.937 -5.214 72 HA CYS 11 HA CYS 11 -7.810 -2.651 -3.390 73 HB2 CYS 11 1HB CYS 11 -6.019 -1.357 -4.263 74 HB3 CYS 11 2HB CYS 11 -5.333 -2.899 -3.719 75 H SER 12 H SER 12 -8.436 -0.728 -4.509 76 HA SER 12 HA SER 12 -9.967 -1.373 -7.017 77 HB2 SER 12 1HB SER 12 -11.571 0.304 -6.182 78 HB3 SER 12 2HB SER 12 -11.336 -0.969 -4.962 79 HG SER 12 HG SER 12 -10.084 0.388 -3.771 80 H LEU 13 H LEU 13 -10.451 0.579 -8.343 81 HA LEU 13 HA LEU 13 -8.123 1.960 -9.128 82 HB2 LEU 13 1HB LEU 13 -9.581 3.304 -10.498 83 HB3 LEU 13 2HB LEU 13 -10.016 1.620 -10.618 84 HG LEU 13 HG LEU 13 -11.603 3.305 -8.726 85 HD11 LEU 13 1HD1 LEU 13 -11.326 4.784 -10.640 86 HD12 LEU 13 2HD1 LEU 13 -12.980 4.157 -10.580 87 HD13 LEU 13 3HD1 LEU 13 -11.821 3.479 -11.752 88 HD21 LEU 13 3HD2 LEU 13 -12.170 0.909 -9.023 89 HD22 LEU 13 1HD2 LEU 13 -12.358 1.173 -10.775 90 HD23 LEU 13 2HD2 LEU 13 -13.466 1.953 -9.622 91 H TYR 14 H TYR 14 -10.533 2.730 -6.696 92 HA TYR 14 HA TYR 14 -10.000 5.525 -6.432 93 HB2 TYR 14 1HB TYR 14 -11.948 4.271 -5.453 94 HB3 TYR 14 2HB TYR 14 -10.842 3.526 -4.287 95 HD1 TYR 14 HD1 TYR 14 -12.349 6.761 -5.377 96 HD2 TYR 14 HD2 TYR 14 -10.048 4.723 -2.341 97 HE1 TYR 14 HE1 TYR 14 -12.586 8.728 -3.867 98 HE2 TYR 14 HE2 TYR 14 -10.297 6.722 -0.843 99 HH TYR 14 HH TYR 14 -12.102 9.643 -1.836 100 H GLN 15 H GLN 15 -8.594 2.621 -4.860 101 HA GLN 15 HA GLN 15 -6.799 4.199 -3.215 102 HB2 GLN 15 1HB GLN 15 -6.886 1.279 -3.991 103 HB3 GLN 15 2HB GLN 15 -5.696 1.954 -2.861 104 HG2 GLN 15 1HG GLN 15 -7.298 2.411 -1.232 105 HG3 GLN 15 2HG GLN 15 -8.636 2.459 -2.387 106 HE21 GLN 15 2HE2 GLN 15 -7.537 0.762 0.092 107 HE22 GLN 15 1HE2 GLN 15 -8.150 -0.818 -0.343 108 H LEU 16 H LEU 16 -6.626 2.568 -6.396 109 HA LEU 16 HA LEU 16 -3.844 2.936 -6.812 110 HB2 LEU 16 1HB LEU 16 -6.188 2.532 -8.562 111 HB3 LEU 16 2HB LEU 16 -4.808 3.356 -9.295 112 HG LEU 16 HG LEU 16 -3.347 1.459 -8.566 113 HD11 LEU 16 1HD1 LEU 16 -4.429 -0.674 -8.015 114 HD12 LEU 16 2HD1 LEU 16 -6.001 0.145 -7.922 115 HD13 LEU 16 3HD1 LEU 16 -4.712 0.550 -6.767 116 HD21 LEU 16 3HD2 LEU 16 -5.697 0.756 -10.351 117 HD22 LEU 16 1HD2 LEU 16 -4.112 -0.054 -10.326 118 HD23 LEU 16 2HD2 LEU 16 -4.225 1.635 -10.830 119 H GLU 17 H GLU 17 -6.536 5.230 -7.333 120 HA GLU 17 HA GLU 17 -4.943 7.269 -8.524 121 HB2 GLU 17 1HB GLU 17 -7.476 7.321 -6.889 122 HB3 GLU 17 2HB GLU 17 -6.671 8.822 -7.358 123 HG2 GLU 17 1HG GLU 17 -6.759 7.400 -9.733 124 HG3 GLU 17 2HG GLU 17 -8.294 7.005 -8.954 125 HE2 GLU 17 HE2 GLU 17 -9.642 8.466 -8.648 126 H ASN 18 H ASN 18 -5.137 6.285 -5.114 127 HA ASN 18 HA ASN 18 -3.990 8.807 -4.170 128 HB2 ASN 18 1HB ASN 18 -4.399 6.082 -2.894 129 HB3 ASN 18 2HB ASN 18 -3.521 7.381 -2.085 130 HD21 ASN 18 2HD2 ASN 18 -6.660 6.331 -3.224 131 HD22 ASN 18 1HD2 ASN 18 -7.553 7.571 -2.367 132 H TYR 19 H TYR 19 -2.758 5.963 -5.732 133 HA TYR 19 HA TYR 19 -0.017 6.407 -4.729 134 HB2 TYR 19 1HB TYR 19 -1.083 4.535 -6.877 135 HB3 TYR 19 2HB TYR 19 0.568 4.548 -6.233 136 HD1 TYR 19 HD1 TYR 19 0.233 4.758 -3.330 137 HD2 TYR 19 HD2 TYR 19 -2.136 2.561 -6.169 138 HE1 TYR 19 HE1 TYR 19 -0.516 3.221 -1.520 139 HE2 TYR 19 HE2 TYR 19 -2.904 1.039 -4.342 140 HH TYR 19 HH TYR 19 -2.937 0.709 -2.016 141 H CYS 20 H CYS 20 -2.062 7.870 -6.955 142 HA CYS 20 HA CYS 20 0.107 8.588 -8.845 143 HB2 CYS 20 1HB CYS 20 -2.787 9.492 -8.745 144 HB3 CYS 20 2HB CYS 20 -1.682 9.574 -10.110 145 H ASN 21 H ASN 21 -1.161 9.521 -5.856 146 HA ASN 21 HA ASN 21 -0.224 12.335 -6.169 147 HB2 ASN 21 1HB ASN 21 -2.727 12.216 -6.234 148 HB3 ASN 21 2HB ASN 21 -2.719 11.459 -4.632 149 HD21 ASN 21 2HD2 ASN 21 -3.467 12.991 -3.277 150 HD22 ASN 21 1HD2 ASN 21 -2.824 14.611 -3.166 151 HXT ASN 21 H02 ASN 21 1.431 11.219 -5.486 152 H1 PHE 1 2H0 PHE 1 -12.117 -0.532 -16.090 153 H2 PHE 1 1H0 PHE 1 -13.149 -1.798 -15.848 154 HA PHE 1 HA PHE 1 -11.121 -2.027 -14.472 155 HB2 PHE 1 1HB PHE 1 -10.996 0.559 -14.359 156 HB3 PHE 1 2HB PHE 1 -12.164 0.458 -13.065 157 HD1 PHE 1 HD1 PHE 1 -11.450 -1.319 -11.089 158 HD2 PHE 1 HD2 PHE 1 -8.748 0.651 -13.811 159 HE1 PHE 1 HE1 PHE 1 -9.589 -1.717 -9.525 160 HE2 PHE 1 HE2 PHE 1 -6.903 0.292 -12.217 161 HZ PHE 1 HZ PHE 1 -7.317 -0.914 -10.066 162 H VAL 2 H VAL 2 -11.409 -3.631 -13.175 163 HA VAL 2 HA VAL 2 -13.601 -3.458 -11.153 164 HB VAL 2 HB VAL 2 -14.140 -5.167 -12.940 165 HG11 VAL 2 1HG1 VAL 2 -11.763 -6.679 -11.796 166 HG12 VAL 2 2HG1 VAL 2 -12.904 -7.268 -13.026 167 HG13 VAL 2 3HG1 VAL 2 -11.821 -5.913 -13.406 168 HG21 VAL 2 3HG2 VAL 2 -14.845 -6.904 -11.402 169 HG22 VAL 2 1HG2 VAL 2 -13.662 -6.374 -10.183 170 HG23 VAL 2 2HG2 VAL 2 -15.037 -5.320 -10.628 171 H ASN 3 H ASN 3 -13.063 -4.243 -9.102 172 HA ASN 3 HA ASN 3 -10.246 -3.946 -8.430 173 HB2 ASN 3 1HB ASN 3 -10.977 -4.259 -6.120 174 HB3 ASN 3 2HB ASN 3 -12.049 -3.109 -6.929 175 HD21 ASN 3 2HD2 ASN 3 -14.202 -3.702 -7.353 176 HD22 ASN 3 1HD2 ASN 3 -14.917 -5.121 -6.608 177 H GLN 4 H GLN 4 -8.798 -5.517 -8.008 178 HA GLN 4 HA GLN 4 -9.452 -8.341 -7.711 179 HB2 GLN 4 1HB GLN 4 -8.469 -9.071 -9.852 180 HB3 GLN 4 2HB GLN 4 -9.901 -8.078 -10.140 181 HG2 GLN 4 1HG GLN 4 -8.340 -6.107 -10.517 182 HG3 GLN 4 2HG GLN 4 -7.005 -7.252 -10.461 183 HE21 GLN 4 2HE2 GLN 4 -9.410 -5.797 -12.349 184 HE22 GLN 4 1HE2 GLN 4 -9.149 -6.733 -13.810 185 H HIS 5 H HIS 5 -7.185 -9.549 -8.081 186 HA HIS 5 HA HIS 5 -5.127 -7.983 -6.687 187 HB2 HIS 5 1HB HIS 5 -5.139 -10.785 -7.883 188 HB3 HIS 5 2HB HIS 5 -3.743 -10.060 -7.079 189 HD1 HIS 5 HD1 HIS 5 -3.943 -9.546 -4.482 190 HD2 HIS 5 HD2 HIS 5 -7.076 -11.812 -6.119 191 HE1 HIS 5 HE1 HIS 5 -5.242 -10.524 -2.526 192 HE2 HIS 5 HE2 HIS 5 -7.088 -11.945 -3.523 193 H LEU 6 H LEU 6 -3.445 -6.982 -7.637 194 HA LEU 6 HA LEU 6 -3.026 -7.368 -10.581 195 HB2 LEU 6 1HB LEU 6 -3.409 -4.768 -9.057 196 HB3 LEU 6 2HB LEU 6 -2.649 -4.843 -10.649 197 HG LEU 6 HG LEU 6 -5.390 -5.960 -10.212 198 HD11 LEU 6 1HD1 LEU 6 -6.262 -3.762 -11.028 199 HD12 LEU 6 2HD1 LEU 6 -4.624 -3.100 -10.789 200 HD13 LEU 6 3HD1 LEU 6 -5.543 -3.712 -9.405 201 HD21 LEU 6 3HD2 LEU 6 -5.627 -5.445 -12.631 202 HD22 LEU 6 1HD2 LEU 6 -4.308 -6.584 -12.306 203 HD23 LEU 6 2HD2 LEU 6 -3.940 -4.876 -12.658 204 H CYS 7 H CYS 7 -0.897 -7.359 -11.132 205 HA CYS 7 HA CYS 7 1.084 -6.401 -9.165 206 HB2 CYS 7 1HB CYS 7 0.284 -8.957 -8.915 207 HB3 CYS 7 2HB CYS 7 1.494 -9.183 -10.186 208 H GLY 8 H GLY 8 3.314 -6.464 -10.090 209 HA2 GLY 8 1HA GLY 8 4.756 -5.896 -11.780 210 HA3 GLY 8 2HA GLY 8 4.017 -7.241 -12.639 211 H SER 9 H SER 9 4.053 -6.534 -14.673 212 HA SER 9 HA SER 9 3.505 -3.912 -15.542 213 HB2 SER 9 1HB SER 9 2.748 -6.267 -17.250 214 HB3 SER 9 2HB SER 9 3.695 -4.815 -17.651 215 HG SER 9 HG SER 9 5.169 -6.438 -17.481 216 H HIS 10 H HIS 10 1.258 -6.541 -14.688 217 HA HIS 10 HA HIS 10 -1.028 -5.322 -15.945 218 HB2 HIS 10 1HB HIS 10 -0.642 -7.742 -14.962 219 HB3 HIS 10 2HB HIS 10 -1.353 -7.010 -13.509 220 HD1 HIS 10 HD1 HIS 10 -3.250 -9.007 -14.385 221 HD2 HIS 10 HD2 HIS 10 -2.991 -5.362 -16.426 222 HE1 HIS 10 HE1 HIS 10 -5.408 -8.730 -15.707 223 HE2 HIS 10 HE2 HIS 10 -5.245 -6.535 -16.926 224 H LEU 11 H LEU 11 0.513 -5.046 -12.738 225 HA LEU 11 HA LEU 11 -1.489 -3.312 -11.562 226 HB2 LEU 11 1HB LEU 11 1.027 -4.334 -10.787 227 HB3 LEU 11 2HB LEU 11 1.212 -2.591 -10.797 228 HG LEU 11 HG LEU 11 -0.845 -4.167 -9.254 229 HD11 LEU 11 1HD1 LEU 11 1.479 -2.471 -8.308 230 HD12 LEU 11 2HD1 LEU 11 1.489 -4.248 -8.395 231 HD13 LEU 11 3HD1 LEU 11 0.370 -3.414 -7.299 232 HD21 LEU 11 3HD2 LEU 11 -0.465 -1.179 -9.491 233 HD22 LEU 11 1HD2 LEU 11 -1.409 -1.969 -8.202 234 HD23 LEU 11 2HD2 LEU 11 -1.914 -2.123 -9.886 235 H VAL 12 H VAL 12 1.523 -2.696 -13.446 236 HA VAL 12 HA VAL 12 1.239 0.155 -13.378 237 HB VAL 12 HB VAL 12 2.598 -1.516 -15.550 238 HG11 VAL 12 1HG1 VAL 12 2.288 0.848 -16.235 239 HG12 VAL 12 2HG1 VAL 12 2.998 1.402 -14.691 240 HG13 VAL 12 3HG1 VAL 12 3.999 0.524 -15.884 241 HG21 VAL 12 3HG2 VAL 12 4.675 -1.088 -14.222 242 HG22 VAL 12 1HG2 VAL 12 3.675 -0.382 -12.932 243 HG23 VAL 12 2HG2 VAL 12 3.520 -2.102 -13.353 244 H GLU 13 H GLU 13 -0.029 -2.286 -15.686 245 HA GLU 13 HA GLU 13 -1.116 -0.440 -17.580 246 HB2 GLU 13 1HB GLU 13 -1.679 -3.265 -16.733 247 HB3 GLU 13 2HB GLU 13 -2.847 -2.454 -17.780 248 HG2 GLU 13 1HG GLU 13 -1.298 -2.165 -19.517 249 HG3 GLU 13 2HG GLU 13 0.083 -2.575 -18.477 250 HE2 GLU 13 HE2 GLU 13 -0.027 -3.741 -20.583 251 H ALA 14 H ALA 14 -2.539 -1.902 -14.614 252 HA ALA 14 HA ALA 14 -5.121 -0.673 -14.966 253 HB1 ALA 14 3HB ALA 14 -4.694 -2.557 -13.448 254 HB2 ALA 14 1HB ALA 14 -3.686 -1.505 -12.428 255 HB3 ALA 14 2HB ALA 14 -5.424 -1.183 -12.600 256 H LEU 15 H LEU 15 -2.140 0.338 -13.280 257 HA LEU 15 HA LEU 15 -3.198 2.794 -12.274 258 HB2 LEU 15 1HB LEU 15 -0.584 1.512 -12.570 259 HB3 LEU 15 2HB LEU 15 -0.511 3.243 -12.818 260 HG LEU 15 HG LEU 15 -1.655 1.912 -10.344 261 HD11 LEU 15 1HD1 LEU 15 0.993 3.336 -10.844 262 HD12 LEU 15 2HD1 LEU 15 0.768 1.586 -10.546 263 HD13 LEU 15 3HD1 LEU 15 0.400 2.762 -9.265 264 HD21 LEU 15 3HD2 LEU 15 -1.519 4.214 -9.373 265 HD22 LEU 15 1HD2 LEU 15 -2.671 4.122 -10.720 266 HD23 LEU 15 2HD2 LEU 15 -1.064 4.848 -10.975 267 H TYR 16 H TYR 16 -1.760 1.940 -15.446 268 HA TYR 16 HA TYR 16 -1.716 4.653 -16.405 269 HB2 TYR 16 1HB TYR 16 -0.469 3.021 -17.628 270 HB3 TYR 16 2HB TYR 16 -1.886 1.978 -17.815 271 HD1 TYR 16 HD2 TYR 16 -0.471 5.295 -18.852 272 HD2 TYR 16 HD1 TYR 16 -3.428 2.254 -19.617 273 HE1 TYR 16 HE2 TYR 16 -1.109 6.430 -20.973 274 HE2 TYR 16 HE1 TYR 16 -4.057 3.396 -21.737 275 HH TYR 16 HH TYR 16 -2.490 6.422 -22.801 276 H LEU 17 H LEU 17 -4.241 2.088 -16.471 277 HA LEU 17 HA LEU 17 -5.948 3.613 -18.190 278 HB2 LEU 17 1HB LEU 17 -6.499 1.338 -16.250 279 HB3 LEU 17 2HB LEU 17 -7.718 1.995 -17.351 280 HG LEU 17 HG LEU 17 -5.070 0.924 -18.364 281 HD11 LEU 17 1HD1 LEU 17 -6.191 -0.839 -17.043 282 HD12 LEU 17 2HD1 LEU 17 -6.118 -1.212 -18.779 283 HD13 LEU 17 3HD1 LEU 17 -7.638 -0.652 -18.056 284 HD21 LEU 17 3HD2 LEU 17 -7.782 1.311 -19.693 285 HD22 LEU 17 1HD2 LEU 17 -6.338 0.598 -20.450 286 HD23 LEU 17 2HD2 LEU 17 -6.321 2.293 -19.946 287 H VAL 18 H VAL 18 -5.674 3.388 -14.643 288 HA VAL 18 HA VAL 18 -7.954 5.188 -14.378 289 HB VAL 18 HB VAL 18 -7.574 3.404 -12.745 290 HG11 VAL 18 1HG1 VAL 18 -5.227 4.990 -11.718 291 HG12 VAL 18 2HG1 VAL 18 -5.838 3.419 -11.157 292 HG13 VAL 18 3HG1 VAL 18 -5.085 3.551 -12.745 293 HG21 VAL 18 3HG2 VAL 18 -7.934 4.717 -10.701 294 HG22 VAL 18 1HG2 VAL 18 -7.377 6.170 -11.538 295 HG23 VAL 18 2HG2 VAL 18 -8.868 5.364 -12.073 296 H CYS 19 H CYS 19 -4.432 5.598 -14.287 297 HA CYS 19 HA CYS 19 -4.862 8.489 -13.624 298 HB2 CYS 19 1HB CYS 19 -2.901 6.428 -12.707 299 HB3 CYS 19 2HB CYS 19 -2.417 8.106 -12.793 300 H GLY 20 H GLY 20 -3.091 6.237 -15.756 301 HA2 GLY 20 1HA GLY 20 -1.245 8.277 -16.675 302 HA3 GLY 20 2HA GLY 20 -1.610 6.735 -17.479 303 H GLU 21 H GLU 21 -4.493 7.206 -17.459 304 HA GLU 21 HA GLU 21 -4.698 8.986 -19.803 305 HB2 GLU 21 1HB GLU 21 -6.726 7.253 -18.341 306 HB3 GLU 21 2HB GLU 21 -7.049 8.140 -19.838 307 HG2 GLU 21 1HG GLU 21 -5.285 6.813 -20.988 308 HG3 GLU 21 2HG GLU 21 -5.035 5.890 -19.504 309 HE2 GLU 21 HE2 GLU 21 -7.222 4.049 -21.590 310 H ARG 22 H ARG 22 -4.396 9.757 -16.726 311 HA ARG 22 HA ARG 22 -6.600 11.790 -16.729 312 HB2 ARG 22 1HB ARG 22 -6.363 9.595 -15.072 313 HB3 ARG 22 2HB ARG 22 -5.616 10.859 -14.095 314 HG2 ARG 22 1HG ARG 22 -8.410 10.953 -15.311 315 HG3 ARG 22 2HG ARG 22 -8.027 10.551 -13.628 316 HD2 ARG 22 1HD ARG 22 -7.453 13.194 -15.006 317 HD3 ARG 22 2HD ARG 22 -8.750 12.884 -13.836 318 HE ARG 22 HE ARG 22 -6.468 12.124 -12.495 319 HH11 ARG 22 1HH1 ARG 22 -7.410 15.129 -14.101 320 HH12 ARG 22 2HH1 ARG 22 -6.420 16.098 -13.042 321 HH21 ARG 22 1HH2 ARG 22 -5.220 13.427 -11.216 322 HH22 ARG 22 2HH2 ARG 22 -5.200 15.153 -11.443 323 H GLY 23 H GLY 23 -3.260 11.003 -15.804 324 HA2 GLY 23 1HA GLY 23 -1.588 12.784 -15.991 325 HA3 GLY 23 2HA GLY 23 -2.779 13.915 -15.313 326 H GLY 24 H GLY 24 -0.033 12.570 -14.507 327 HA2 GLY 24 1HA GLY 24 0.689 12.706 -12.158 328 HA3 GLY 24 2HA GLY 24 -0.853 11.989 -11.688 329 H PHE 25 H PHE 25 1.722 11.155 -14.078 330 HA PHE 25 HA PHE 25 1.714 8.392 -12.922 331 HB2 PHE 25 1HB PHE 25 0.870 8.954 -15.380 332 HB3 PHE 25 2HB PHE 25 2.598 8.961 -15.728 333 HD1 PHE 25 HD1 PHE 25 -0.133 6.940 -14.195 334 HD2 PHE 25 HD2 PHE 25 3.746 6.887 -16.049 335 HE1 PHE 25 HE1 PHE 25 -0.220 4.492 -14.306 336 HE2 PHE 25 HE2 PHE 25 3.670 4.398 -16.147 337 HZ PHE 25 HZ PHE 25 1.660 3.190 -15.272 338 H TYR 26 H TYR 26 3.741 7.440 -12.562 339 HA TYR 26 HA TYR 26 6.003 9.401 -12.596 340 HB2 TYR 26 1HB TYR 26 6.838 8.089 -10.654 341 HB3 TYR 26 2HB TYR 26 5.273 8.856 -10.361 342 HD1 TYR 26 HD1 TYR 26 6.931 5.581 -11.050 343 HD2 TYR 26 HD2 TYR 26 3.270 7.561 -9.946 344 HE1 TYR 26 HE1 TYR 26 5.916 3.388 -10.440 345 HE2 TYR 26 HE2 TYR 26 2.263 5.367 -9.339 346 HH TYR 26 HH TYR 26 2.589 3.102 -9.201 347 H NVA 27 H ARX 27 4.934 6.677 -14.105 348 HA NVA 27 HA ARX 27 5.768 4.997 -15.362 349 HB2 NVA 27 1HB ARX 27 6.600 7.324 -16.456 350 HB3 NVA 27 2HB ARX 27 8.173 6.589 -16.212 351 HG2 NVA 27 1HG ARX 27 6.828 4.433 -17.334 352 HG3 NVA 27 2HG ARX 27 5.904 5.749 -18.032 353 HD2 NVA 27 1HD ARX 27 7.555 5.313 -19.626 354 HD3 NVA 27 2HD ARX 27 8.246 6.726 -18.811 355 HA PRO 28 HA PRO 28 8.981 2.939 -12.791 356 HB2 PRO 28 1HB PRO 28 7.672 0.588 -12.373 357 HB3 PRO 28 2HB PRO 28 7.304 2.056 -11.420 358 HG2 PRO 28 1HG PRO 28 5.845 0.919 -13.783 359 HG3 PRO 28 2HG PRO 28 5.180 1.554 -12.252 360 HD2 PRO 28 1HD PRO 28 5.309 2.974 -14.622 361 HD3 PRO 28 2HD PRO 28 5.287 3.734 -12.994 362 H HIX 29 H HIX 29 10.231 3.015 -14.708 363 HA HIX 29 HA HIX 29 9.759 1.427 -17.032 364 HB1 HIX 29 1HB HIX 29 12.026 3.185 -16.088 365 HB2 HIX 29 2HB HIX 29 12.301 2.123 -17.469 366 HD2 HIX 29 HD2 HIX 29 8.972 4.211 -16.533 367 HD1 HIX 29 HD1 HIX 29 11.758 3.658 -19.640 368 H THR 30 H THR 30 10.889 -0.090 -18.066 369 HA THR 30 HA THR 30 11.320 -2.345 -18.249 370 HB THR 30 HB THR 30 13.874 -1.756 -16.694 371 HG1 THR 30 HG1 THR 30 13.447 0.079 -17.943 372 HG21 THR 30 1HG2 THR 30 13.264 -3.207 -19.352 373 HG22 THR 30 2HG2 THR 30 13.632 -4.007 -17.807 374 HG23 THR 30 3HG2 THR 30 14.867 -3.033 -18.621 375 HXT THR 30 H02 THR 30 10.148 -3.397 -15.147 Start of MODEL 10 1 H1 GLY 1 2H0 GLY 1 1.175 0.475 1.329 2 H2 GLY 1 1H0 GLY 1 2.386 1.588 1.363 3 HA2 GLY 1 1HA GLY 1 3.184 0.954 -0.825 4 HA3 GLY 1 2HA GLY 1 3.161 -0.435 0.279 5 H ILE 2 H ILE 2 2.236 0.761 -2.704 6 HA ILE 2 HA ILE 2 -0.235 -0.448 -3.232 7 HB ILE 2 HB ILE 2 0.861 1.198 -4.724 8 HG12 ILE 2 1HG1 ILE 2 0.206 -1.405 -6.203 9 HG13 ILE 2 2HG1 ILE 2 -0.992 -0.319 -5.480 10 HG21 ILE 2 1HG2 ILE 2 2.675 0.609 -6.270 11 HG22 ILE 2 2HG2 ILE 2 3.213 0.203 -4.622 12 HG23 ILE 2 3HG2 ILE 2 2.660 -1.083 -5.702 13 HD11 ILE 2 3HD1 ILE 2 -0.013 1.499 -6.964 14 HD12 ILE 2 1HD1 ILE 2 0.785 0.137 -7.812 15 HD13 ILE 2 2HD1 ILE 2 -0.974 0.200 -7.697 16 H VAL 3 H VAL 3 2.944 -2.023 -3.326 17 HA VAL 3 HA VAL 3 2.062 -4.322 -4.776 18 HB VAL 3 HB VAL 3 4.325 -3.994 -2.770 19 HG11 VAL 3 1HG1 VAL 3 3.760 -6.392 -3.068 20 HG12 VAL 3 2HG1 VAL 3 3.878 -6.203 -4.827 21 HG13 VAL 3 3HG1 VAL 3 5.320 -6.004 -3.807 22 HG21 VAL 3 3HG2 VAL 3 5.752 -3.801 -4.820 23 HG22 VAL 3 1HG2 VAL 3 4.273 -3.799 -5.799 24 HG23 VAL 3 2HG2 VAL 3 4.583 -2.480 -4.648 25 H GLU 4 H GLU 4 2.283 -3.563 -1.286 26 HA GLU 4 HA GLU 4 1.196 -6.116 -0.461 27 HB2 GLU 4 1HB GLU 4 1.592 -3.472 0.975 28 HB3 GLU 4 2HB GLU 4 1.033 -4.945 1.770 29 HG2 GLU 4 1HG GLU 4 3.111 -6.076 1.348 30 HG3 GLU 4 2HG GLU 4 3.649 -4.810 0.239 31 HE2 GLU 4 HE2 GLU 4 2.772 -5.425 3.388 32 H GLN 5 H GLN 5 -0.218 -3.226 -1.664 33 HA GLN 5 HA GLN 5 -2.808 -3.733 -0.378 34 HB2 GLN 5 1HB GLN 5 -1.767 -1.442 -0.901 35 HB3 GLN 5 2HB GLN 5 -2.184 -1.771 -2.598 36 HG2 GLN 5 1HG GLN 5 -4.006 -0.546 -1.917 37 HG3 GLN 5 2HG GLN 5 -4.608 -2.191 -1.625 38 HE21 GLN 5 2HE2 GLN 5 -3.938 0.874 -0.277 39 HE22 GLN 5 1HE2 GLN 5 -4.276 0.467 1.391 40 H CYS 6 H CYS 6 -1.336 -3.980 -3.615 41 HA CYS 6 HA CYS 6 -3.909 -5.073 -4.674 42 HB2 CYS 6 1HB CYS 6 -1.453 -3.925 -6.050 43 HB3 CYS 6 2HB CYS 6 -2.881 -4.564 -6.873 44 H CYS 7 H CYS 7 -0.366 -5.787 -4.604 45 HA CYS 7 HA CYS 7 -0.832 -8.226 -6.184 46 HB2 CYS 7 1HB CYS 7 1.321 -6.836 -6.091 47 HB3 CYS 7 2HB CYS 7 1.619 -7.596 -4.535 48 H THR 8 H THR 8 -1.139 -7.342 -2.885 49 HA THR 8 HA THR 8 -1.115 -10.199 -2.043 50 HB THR 8 HB THR 8 -1.129 -7.711 -0.297 51 HG1 THR 8 HG1 THR 8 0.772 -8.368 -1.809 52 HG21 THR 8 1HG2 THR 8 -0.266 -9.355 1.407 53 HG22 THR 8 2HG2 THR 8 -0.511 -10.666 0.222 54 HG23 THR 8 3HG2 THR 8 -1.902 -9.743 0.856 55 H SER 9 H SER 9 -3.021 -7.181 -1.410 56 HA SER 9 HA SER 9 -5.382 -8.885 -0.863 57 HB2 SER 9 1HB SER 9 -6.033 -6.279 -0.230 58 HB3 SER 9 2HB SER 9 -5.408 -7.516 0.904 59 HG SER 9 HG SER 9 -4.200 -5.459 0.788 60 H ILE 10 H ILE 10 -7.497 -7.368 -1.364 61 HA ILE 10 HA ILE 10 -7.485 -7.013 -4.308 62 HB ILE 10 HB ILE 10 -9.716 -6.771 -2.226 63 HG12 ILE 10 1HG1 ILE 10 -8.881 -9.084 -2.526 64 HG13 ILE 10 2HG1 ILE 10 -10.564 -8.870 -3.014 65 HG21 ILE 10 1HG2 ILE 10 -10.319 -5.341 -4.082 66 HG22 ILE 10 2HG2 ILE 10 -9.812 -6.561 -5.260 67 HG23 ILE 10 3HG2 ILE 10 -11.268 -6.838 -4.270 68 HD11 ILE 10 3HD1 ILE 10 -9.950 -8.860 -5.379 69 HD12 ILE 10 1HD1 ILE 10 -8.226 -8.978 -4.950 70 HD13 ILE 10 2HD1 ILE 10 -9.331 -10.315 -4.586 71 H CYS 11 H CYS 11 -7.385 -5.027 -5.231 72 HA CYS 11 HA CYS 11 -7.921 -2.671 -3.485 73 HB2 CYS 11 1HB CYS 11 -6.017 -1.504 -4.341 74 HB3 CYS 11 2HB CYS 11 -5.447 -3.058 -3.744 75 H SER 12 H SER 12 -8.462 -0.743 -4.784 76 HA SER 12 HA SER 12 -9.740 -1.505 -7.388 77 HB2 SER 12 1HB SER 12 -10.839 0.500 -5.409 78 HB3 SER 12 2HB SER 12 -11.676 -0.270 -6.783 79 HG SER 12 HG SER 12 -10.917 -1.350 -4.276 80 H LEU 13 H LEU 13 -10.442 0.582 -8.545 81 HA LEU 13 HA LEU 13 -8.210 2.125 -9.256 82 HB2 LEU 13 1HB LEU 13 -9.807 3.662 -10.327 83 HB3 LEU 13 2HB LEU 13 -10.080 1.992 -10.748 84 HG LEU 13 HG LEU 13 -11.762 3.222 -8.567 85 HD11 LEU 13 1HD1 LEU 13 -12.153 3.666 -11.551 86 HD12 LEU 13 2HD1 LEU 13 -11.764 4.919 -10.350 87 HD13 LEU 13 3HD1 LEU 13 -13.323 4.076 -10.289 88 HD21 LEU 13 3HD2 LEU 13 -13.522 1.773 -9.594 89 HD22 LEU 13 1HD2 LEU 13 -12.124 0.844 -9.050 90 HD23 LEU 13 2HD2 LEU 13 -12.331 1.204 -10.778 91 H TYR 14 H TYR 14 -10.592 2.681 -6.718 92 HA TYR 14 HA TYR 14 -10.008 5.371 -6.118 93 HB2 TYR 14 1HB TYR 14 -11.896 3.948 -5.262 94 HB3 TYR 14 2HB TYR 14 -10.748 3.161 -4.173 95 HD1 TYR 14 HD1 TYR 14 -12.552 6.310 -4.921 96 HD2 TYR 14 HD2 TYR 14 -9.890 4.324 -2.184 97 HE1 TYR 14 HE1 TYR 14 -12.915 8.130 -3.256 98 HE2 TYR 14 HE2 TYR 14 -10.277 6.137 -0.524 99 HH TYR 14 HH TYR 14 -11.353 8.095 -0.040 100 H GLN 15 H GLN 15 -8.570 2.344 -4.787 101 HA GLN 15 HA GLN 15 -6.711 3.776 -3.097 102 HB2 GLN 15 1HB GLN 15 -6.721 0.936 -4.188 103 HB3 GLN 15 2HB GLN 15 -5.437 1.563 -3.157 104 HG2 GLN 15 1HG GLN 15 -6.933 0.356 -1.731 105 HG3 GLN 15 2HG GLN 15 -7.159 2.079 -1.392 106 HE21 GLN 15 2HE2 GLN 15 -9.251 2.082 -0.672 107 HE22 GLN 15 1HE2 GLN 15 -10.602 1.558 -1.648 108 H LEU 16 H LEU 16 -6.576 2.416 -6.400 109 HA LEU 16 HA LEU 16 -3.813 2.807 -6.820 110 HB2 LEU 16 1HB LEU 16 -6.147 2.375 -8.498 111 HB3 LEU 16 2HB LEU 16 -4.816 3.237 -9.300 112 HG LEU 16 HG LEU 16 -3.287 1.364 -8.492 113 HD11 LEU 16 1HD1 LEU 16 -4.738 0.391 -6.775 114 HD12 LEU 16 2HD1 LEU 16 -4.358 -0.795 -8.032 115 HD13 LEU 16 3HD1 LEU 16 -5.959 -0.013 -8.013 116 HD21 LEU 16 3HD2 LEU 16 -5.561 0.668 -10.396 117 HD22 LEU 16 1HD2 LEU 16 -3.983 -0.128 -10.316 118 HD23 LEU 16 2HD2 LEU 16 -4.087 1.557 -10.804 119 H GLU 17 H GLU 17 -6.463 5.158 -7.185 120 HA GLU 17 HA GLU 17 -4.865 7.163 -8.438 121 HB2 GLU 17 1HB GLU 17 -7.313 7.285 -6.659 122 HB3 GLU 17 2HB GLU 17 -6.506 8.757 -7.233 123 HG2 GLU 17 1HG GLU 17 -6.761 7.839 -9.594 124 HG3 GLU 17 2HG GLU 17 -7.809 6.592 -8.930 125 HE2 GLU 17 HE2 GLU 17 -9.888 9.225 -10.035 126 H ASN 18 H ASN 18 -5.009 6.094 -5.033 127 HA ASN 18 HA ASN 18 -3.760 8.522 -4.030 128 HB2 ASN 18 1HB ASN 18 -3.907 5.726 -2.838 129 HB3 ASN 18 2HB ASN 18 -3.294 7.152 -1.998 130 HD21 ASN 18 2HD2 ASN 18 -5.592 5.376 -1.441 131 HD22 ASN 18 1HD2 ASN 18 -6.970 6.440 -1.326 132 H TYR 19 H TYR 19 -2.624 5.787 -5.800 133 HA TYR 19 HA TYR 19 0.175 6.210 -4.882 134 HB2 TYR 19 1HB TYR 19 -1.021 4.209 -6.828 135 HB3 TYR 19 2HB TYR 19 0.654 4.224 -6.238 136 HD1 TYR 19 HD2 TYR 19 0.579 4.511 -3.398 137 HD2 TYR 19 HD1 TYR 19 -2.240 2.468 -5.923 138 HE1 TYR 19 HE2 TYR 19 -0.171 3.135 -1.477 139 HE2 TYR 19 HE1 TYR 19 -3.011 1.102 -3.985 140 HH TYR 19 HH TYR 19 -1.488 1.502 -0.737 141 H CYS 20 H CYS 20 -1.959 7.561 -6.998 142 HA CYS 20 HA CYS 20 0.094 8.068 -9.091 143 HB2 CYS 20 1HB CYS 20 -2.198 7.370 -9.792 144 HB3 CYS 20 2HB CYS 20 -2.845 8.780 -8.961 145 H ASN 21 H ASN 21 -2.068 9.567 -6.740 146 HA ASN 21 HA ASN 21 -2.129 11.528 -5.655 147 HB2 ASN 21 1HB ASN 21 0.229 10.681 -5.005 148 HB3 ASN 21 2HB ASN 21 0.848 11.903 -6.120 149 HD21 ASN 21 2HD2 ASN 21 1.060 11.655 -3.190 150 HD22 ASN 21 1HD2 ASN 21 0.358 13.114 -2.538 151 HXT ASN 21 H02 ASN 21 -2.724 13.763 -8.031 152 H1 PHE 1 2H0 PHE 1 -12.005 -0.388 -16.337 153 H2 PHE 1 1H0 PHE 1 -13.126 -1.549 -15.984 154 HA PHE 1 HA PHE 1 -10.941 -1.746 -14.739 155 HB2 PHE 1 1HB PHE 1 -11.008 0.843 -14.471 156 HB3 PHE 1 2HB PHE 1 -12.167 0.563 -13.166 157 HD1 PHE 1 HD1 PHE 1 -11.422 -1.159 -11.282 158 HD2 PHE 1 HD2 PHE 1 -8.716 0.893 -13.954 159 HE1 PHE 1 HE1 PHE 1 -9.578 -1.570 -9.696 160 HE2 PHE 1 HE2 PHE 1 -6.869 0.508 -12.342 161 HZ PHE 1 HZ PHE 1 -7.292 -0.737 -10.224 162 H VAL 2 H VAL 2 -11.044 -3.386 -13.320 163 HA VAL 2 HA VAL 2 -13.409 -3.505 -11.504 164 HB VAL 2 HB VAL 2 -13.721 -5.127 -13.375 165 HG11 VAL 2 1HG1 VAL 2 -12.312 -7.096 -13.594 166 HG12 VAL 2 2HG1 VAL 2 -11.316 -5.646 -13.796 167 HG13 VAL 2 3HG1 VAL 2 -11.283 -6.558 -12.264 168 HG21 VAL 2 3HG2 VAL 2 -13.197 -6.509 -10.713 169 HG22 VAL 2 1HG2 VAL 2 -14.627 -5.516 -11.079 170 HG23 VAL 2 2HG2 VAL 2 -14.332 -7.016 -11.983 171 H ASN 3 H ASN 3 -12.963 -4.248 -9.457 172 HA ASN 3 HA ASN 3 -10.199 -3.871 -8.569 173 HB2 ASN 3 1HB ASN 3 -11.176 -4.177 -6.316 174 HB3 ASN 3 2HB ASN 3 -12.010 -2.911 -7.243 175 HD21 ASN 3 2HD2 ASN 3 -12.457 -5.478 -5.250 176 HD22 ASN 3 1HD2 ASN 3 -14.096 -5.901 -5.732 177 H GLN 4 H GLN 4 -8.746 -5.418 -8.223 178 HA GLN 4 HA GLN 4 -9.453 -8.202 -7.639 179 HB2 GLN 4 1HB GLN 4 -8.536 -9.119 -9.726 180 HB3 GLN 4 2HB GLN 4 -9.933 -8.098 -10.089 181 HG2 GLN 4 1HG GLN 4 -8.378 -6.237 -10.670 182 HG3 GLN 4 2HG GLN 4 -7.008 -7.341 -10.410 183 HE21 GLN 4 2HE2 GLN 4 -8.798 -5.938 -12.707 184 HE22 GLN 4 1HE2 GLN 4 -8.690 -7.135 -13.954 185 H HIS 5 H HIS 5 -7.272 -9.485 -7.898 186 HA HIS 5 HA HIS 5 -5.159 -7.972 -6.526 187 HB2 HIS 5 1HB HIS 5 -5.236 -10.777 -7.706 188 HB3 HIS 5 2HB HIS 5 -3.869 -10.121 -6.825 189 HD1 HIS 5 HD1 HIS 5 -4.336 -9.500 -4.217 190 HD2 HIS 5 HD2 HIS 5 -7.251 -11.829 -6.105 191 HE1 HIS 5 HE1 HIS 5 -5.737 -10.561 -2.367 192 HE2 HIS 5 HE2 HIS 5 -7.472 -11.981 -3.517 193 H LEU 6 H LEU 6 -3.393 -7.056 -7.507 194 HA LEU 6 HA LEU 6 -2.955 -7.581 -10.421 195 HB2 LEU 6 1HB LEU 6 -3.289 -4.881 -9.063 196 HB3 LEU 6 2HB LEU 6 -2.546 -5.079 -10.648 197 HG LEU 6 HG LEU 6 -5.338 -6.057 -10.110 198 HD11 LEU 6 1HD1 LEU 6 -4.446 -3.308 -10.978 199 HD12 LEU 6 2HD1 LEU 6 -5.339 -3.720 -9.493 200 HD13 LEU 6 3HD1 LEU 6 -6.113 -3.911 -11.094 201 HD21 LEU 6 3HD2 LEU 6 -3.865 -5.196 -12.641 202 HD22 LEU 6 1HD2 LEU 6 -5.545 -5.748 -12.577 203 HD23 LEU 6 2HD2 LEU 6 -4.253 -6.884 -12.172 204 H CYS 7 H CYS 7 -0.830 -7.440 -11.046 205 HA CYS 7 HA CYS 7 1.141 -6.374 -9.155 206 HB2 CYS 7 1HB CYS 7 0.492 -8.951 -8.787 207 HB3 CYS 7 2HB CYS 7 1.665 -9.174 -10.083 208 H GLY 8 H GLY 8 3.385 -6.442 -10.101 209 HA2 GLY 8 1HA GLY 8 4.804 -5.872 -11.842 210 HA3 GLY 8 2HA GLY 8 4.041 -7.222 -12.664 211 H SER 9 H SER 9 4.067 -6.511 -14.696 212 HA SER 9 HA SER 9 3.479 -3.887 -15.542 213 HB2 SER 9 1HB SER 9 2.870 -6.336 -17.194 214 HB3 SER 9 2HB SER 9 3.521 -4.772 -17.730 215 HG SER 9 HG SER 9 5.306 -5.974 -17.602 216 H HIS 10 H HIS 10 1.291 -6.535 -14.670 217 HA HIS 10 HA HIS 10 -1.035 -5.390 -15.918 218 HB2 HIS 10 1HB HIS 10 -0.438 -7.753 -14.486 219 HB3 HIS 10 2HB HIS 10 -1.638 -6.903 -13.513 220 HD1 HIS 10 HD1 HIS 10 -2.363 -9.595 -14.983 221 HD2 HIS 10 HD2 HIS 10 -3.001 -5.776 -16.556 222 HE1 HIS 10 HE1 HIS 10 -4.219 -9.812 -16.706 223 HE2 HIS 10 HE2 HIS 10 -4.581 -7.509 -17.669 224 H LEU 11 H LEU 11 0.514 -5.075 -12.718 225 HA LEU 11 HA LEU 11 -1.509 -3.320 -11.593 226 HB2 LEU 11 1HB LEU 11 1.013 -4.377 -10.809 227 HB3 LEU 11 2HB LEU 11 1.186 -2.626 -10.766 228 HG LEU 11 HG LEU 11 -0.824 -4.286 -9.266 229 HD11 LEU 11 1HD1 LEU 11 1.433 -2.506 -8.317 230 HD12 LEU 11 2HD1 LEU 11 1.463 -4.281 -8.387 231 HD13 LEU 11 3HD1 LEU 11 0.342 -3.473 -7.287 232 HD21 LEU 11 3HD2 LEU 11 -0.623 -1.271 -9.464 233 HD22 LEU 11 1HD2 LEU 11 -1.505 -2.128 -8.167 234 HD23 LEU 11 2HD2 LEU 11 -2.020 -2.283 -9.845 235 H VAL 12 H VAL 12 1.488 -2.749 -13.469 236 HA VAL 12 HA VAL 12 1.316 0.107 -13.440 237 HB VAL 12 HB VAL 12 2.540 -1.729 -15.544 238 HG11 VAL 12 1HG1 VAL 12 3.916 0.227 -16.157 239 HG12 VAL 12 2HG1 VAL 12 2.196 0.502 -16.482 240 HG13 VAL 12 3HG1 VAL 12 2.952 1.240 -15.055 241 HG21 VAL 12 3HG2 VAL 12 4.679 -1.236 -14.368 242 HG22 VAL 12 1HG2 VAL 12 3.779 -0.307 -13.156 243 HG23 VAL 12 2HG2 VAL 12 3.518 -2.056 -13.303 244 H GLU 13 H GLU 13 -0.021 -2.301 -15.757 245 HA GLU 13 HA GLU 13 -1.131 -0.408 -17.591 246 HB2 GLU 13 1HB GLU 13 -1.816 -3.252 -16.786 247 HB3 GLU 13 2HB GLU 13 -2.890 -2.362 -17.872 248 HG2 GLU 13 1HG GLU 13 -1.195 -2.123 -19.512 249 HG3 GLU 13 2HG GLU 13 0.042 -2.743 -18.418 250 HE2 GLU 13 HE2 GLU 13 -0.411 -5.730 -19.876 251 H ALA 14 H ALA 14 -2.554 -1.917 -14.653 252 HA ALA 14 HA ALA 14 -5.095 -0.645 -14.929 253 HB1 ALA 14 3HB ALA 14 -4.640 -2.539 -13.424 254 HB2 ALA 14 1HB ALA 14 -3.635 -1.482 -12.404 255 HB3 ALA 14 2HB ALA 14 -5.390 -1.168 -12.570 256 H LEU 15 H LEU 15 -2.069 0.415 -13.327 257 HA LEU 15 HA LEU 15 -3.175 2.818 -12.233 258 HB2 LEU 15 1HB LEU 15 -0.632 1.526 -12.406 259 HB3 LEU 15 2HB LEU 15 -0.443 3.197 -12.883 260 HG LEU 15 HG LEU 15 -1.749 2.281 -10.313 261 HD11 LEU 15 1HD1 LEU 15 0.317 3.038 -9.224 262 HD12 LEU 15 2HD1 LEU 15 1.036 3.420 -10.798 263 HD13 LEU 15 3HD1 LEU 15 0.653 1.733 -10.373 264 HD21 LEU 15 3HD2 LEU 15 -1.482 4.669 -9.613 265 HD22 LEU 15 1HD2 LEU 15 -2.562 4.497 -11.006 266 HD23 LEU 15 2HD2 LEU 15 -0.909 5.068 -11.252 267 H TYR 16 H TYR 16 -1.719 2.071 -15.378 268 HA TYR 16 HA TYR 16 -1.696 4.786 -16.324 269 HB2 TYR 16 1HB TYR 16 -0.387 3.123 -17.447 270 HB3 TYR 16 2HB TYR 16 -1.800 2.128 -17.770 271 HD1 TYR 16 HD2 TYR 16 -0.257 5.450 -18.592 272 HD2 TYR 16 HD1 TYR 16 -3.101 2.434 -19.702 273 HE1 TYR 16 HE2 TYR 16 -0.668 6.653 -20.753 274 HE2 TYR 16 HE1 TYR 16 -3.491 3.607 -21.886 275 HH TYR 16 HH TYR 16 -1.774 6.621 -22.739 276 H LEU 17 H LEU 17 -4.134 2.157 -16.443 277 HA LEU 17 HA LEU 17 -5.907 3.611 -18.200 278 HB2 LEU 17 1HB LEU 17 -6.386 1.339 -16.261 279 HB3 LEU 17 2HB LEU 17 -7.619 1.957 -17.354 280 HG LEU 17 HG LEU 17 -4.968 0.889 -18.372 281 HD11 LEU 17 1HD1 LEU 17 -6.084 -0.899 -17.118 282 HD12 LEU 17 2HD1 LEU 17 -6.107 -1.211 -18.861 283 HD13 LEU 17 3HD1 LEU 17 -7.585 -0.627 -18.048 284 HD21 LEU 17 3HD2 LEU 17 -6.252 0.608 -20.470 285 HD22 LEU 17 1HD2 LEU 17 -6.142 2.290 -19.948 286 HD23 LEU 17 2HD2 LEU 17 -7.657 1.373 -19.704 287 H VAL 18 H VAL 18 -5.657 3.379 -14.630 288 HA VAL 18 HA VAL 18 -8.047 5.053 -14.369 289 HB VAL 18 HB VAL 18 -7.557 3.329 -12.662 290 HG11 VAL 18 1HG1 VAL 18 -5.748 3.423 -11.171 291 HG12 VAL 18 2HG1 VAL 18 -5.050 3.651 -12.772 292 HG13 VAL 18 3HG1 VAL 18 -5.258 5.047 -11.700 293 HG21 VAL 18 3HG2 VAL 18 -7.447 6.147 -11.514 294 HG22 VAL 18 1HG2 VAL 18 -8.915 5.251 -11.959 295 HG23 VAL 18 2HG2 VAL 18 -7.876 4.683 -10.623 296 H CYS 19 H CYS 19 -4.545 5.649 -14.286 297 HA CYS 19 HA CYS 19 -5.236 8.534 -13.838 298 HB2 CYS 19 1HB CYS 19 -4.153 7.047 -11.951 299 HB3 CYS 19 2HB CYS 19 -2.672 7.409 -12.834 300 H GLY 20 H GLY 20 -3.226 6.339 -15.671 301 HA2 GLY 20 1HA GLY 20 -1.281 8.306 -16.456 302 HA3 GLY 20 2HA GLY 20 -1.602 6.777 -17.273 303 H GLU 21 H GLU 21 -4.469 7.393 -17.652 304 HA GLU 21 HA GLU 21 -4.186 9.277 -19.939 305 HB2 GLU 21 1HB GLU 21 -6.507 7.505 -19.083 306 HB3 GLU 21 2HB GLU 21 -6.414 8.461 -20.578 307 HG2 GLU 21 1HG GLU 21 -4.411 7.135 -21.250 308 HG3 GLU 21 2HG GLU 21 -4.635 6.121 -19.822 309 HE2 GLU 21 HE2 GLU 21 -6.863 4.193 -21.347 310 H ARG 22 H ARG 22 -4.224 10.098 -17.029 311 HA ARG 22 HA ARG 22 -6.502 12.014 -17.188 312 HB2 ARG 22 1HB ARG 22 -6.622 9.777 -15.644 313 HB3 ARG 22 2HB ARG 22 -5.761 10.848 -14.515 314 HG2 ARG 22 1HG ARG 22 -8.434 11.560 -15.852 315 HG3 ARG 22 2HG ARG 22 -8.287 10.779 -14.260 316 HD2 ARG 22 1HD ARG 22 -7.166 13.497 -15.005 317 HD3 ARG 22 2HD ARG 22 -8.609 13.232 -14.036 318 HE ARG 22 HE ARG 22 -5.808 12.914 -13.204 319 HH11 ARG 22 1HH1 ARG 22 -9.189 12.332 -12.331 320 HH12 ARG 22 2HH1 ARG 22 -8.818 12.070 -10.662 321 HH21 ARG 22 1HH2 ARG 22 -5.396 12.518 -11.044 322 HH22 ARG 22 2HH2 ARG 22 -6.711 12.185 -9.944 323 H GLY 23 H GLY 23 -3.269 11.191 -15.798 324 HA2 GLY 23 1HA GLY 23 -2.886 14.125 -15.419 325 HA3 GLY 23 2HA GLY 23 -2.310 12.922 -14.242 326 H GLY 24 H GLY 24 -0.205 13.126 -14.392 327 HA2 GLY 24 1HA GLY 24 1.083 13.172 -17.070 328 HA3 GLY 24 2HA GLY 24 1.831 13.627 -15.536 329 H PHE 25 H PHE 25 0.803 11.161 -14.228 330 HA PHE 25 HA PHE 25 1.578 9.100 -13.663 331 HB2 PHE 25 1HB PHE 25 0.578 8.734 -16.036 332 HB3 PHE 25 2HB PHE 25 2.244 8.618 -16.585 333 HD1 PHE 25 HD2 PHE 25 0.652 7.310 -13.417 334 HD2 PHE 25 HD1 PHE 25 2.565 6.371 -17.175 335 HE1 PHE 25 HE2 PHE 25 0.724 4.919 -12.795 336 HE2 PHE 25 HE1 PHE 25 2.608 3.968 -16.540 337 HZ PHE 25 HZ PHE 25 1.706 3.236 -14.348 338 H TYR 26 H TYR 26 3.686 7.475 -14.583 339 HA TYR 26 HA TYR 26 6.089 9.214 -14.410 340 HB2 TYR 26 1HB TYR 26 6.974 7.938 -12.564 341 HB3 TYR 26 2HB TYR 26 5.420 8.627 -12.108 342 HD1 TYR 26 HD1 TYR 26 3.442 7.172 -11.745 343 HD2 TYR 26 HD2 TYR 26 7.245 5.498 -12.827 344 HE1 TYR 26 HE1 TYR 26 2.640 4.906 -11.085 345 HE2 TYR 26 HE2 TYR 26 6.434 3.239 -12.169 346 HH TYR 26 HH TYR 26 4.742 2.011 -11.310 347 H NVA 27 H ARX 27 4.492 6.487 -15.601 348 HA NVA 27 HA ARX 27 5.030 4.487 -16.555 349 HB2 NVA 27 1HB ARX 27 4.979 6.536 -18.234 350 HB3 NVA 27 2HB ARX 27 6.615 6.047 -18.558 351 HG2 NVA 27 1HG ARX 27 5.402 3.584 -18.703 352 HG3 NVA 27 2HG ARX 27 3.993 4.584 -19.065 353 HD2 NVA 27 1HD ARX 27 4.902 4.063 -21.175 354 HD3 NVA 27 2HD ARX 27 5.493 5.711 -20.918 355 HA PRO 28 HA PRO 28 9.216 3.109 -15.355 356 HB2 PRO 28 1HB PRO 28 8.587 0.594 -14.533 357 HB3 PRO 28 2HB PRO 28 8.178 2.022 -13.556 358 HG2 PRO 28 1HG PRO 28 6.438 0.431 -15.416 359 HG3 PRO 28 2HG PRO 28 6.083 1.014 -13.766 360 HD2 PRO 28 1HD PRO 28 5.277 2.300 -16.098 361 HD3 PRO 28 2HD PRO 28 5.535 3.138 -14.529 362 H HIX 29 H HIX 29 9.708 3.355 -17.640 363 HA HIX 29 HA HIX 29 9.256 1.186 -19.530 364 HB1 HIX 29 1HB HIX 29 10.813 3.800 -19.711 365 HB2 HIX 29 2HB HIX 29 10.885 2.603 -20.998 366 HD2 HIX 29 HD2 HIX 29 7.675 3.869 -18.907 367 HD1 HIX 29 HD1 HIX 29 9.108 3.429 -22.833 368 H THR 30 H THR 30 10.309 -0.410 -20.077 369 HA THR 30 HA THR 30 11.616 -2.301 -19.552 370 HB THR 30 HB THR 30 13.848 -2.027 -20.837 371 HG1 THR 30 HG1 THR 30 13.744 0.368 -20.365 372 HG21 THR 30 1HG2 THR 30 12.698 -1.835 -23.016 373 HG22 THR 30 2HG2 THR 30 11.281 -1.093 -22.274 374 HG23 THR 30 3HG2 THR 30 11.683 -2.793 -21.938 375 HXT THR 30 H02 THR 30 13.182 -1.467 -16.606 Start of MODEL 11 1 H1 GLY 1 2H0 GLY 1 1.953 -1.049 1.464 2 H2 GLY 1 1H0 GLY 1 3.401 -1.804 1.225 3 HA2 GLY 1 1HA GLY 1 2.707 0.765 -0.147 4 HA3 GLY 1 2HA GLY 1 3.947 -0.422 -0.630 5 H ILE 2 H ILE 2 2.751 0.330 -2.644 6 HA ILE 2 HA ILE 2 0.181 -0.556 -3.354 7 HB ILE 2 HB ILE 2 1.609 1.048 -4.665 8 HG12 ILE 2 1HG1 ILE 2 1.105 0.092 -6.992 9 HG13 ILE 2 2HG1 ILE 2 0.474 -1.330 -6.173 10 HG21 ILE 2 1HG2 ILE 2 3.095 -1.432 -5.682 11 HG22 ILE 2 2HG2 ILE 2 3.370 0.252 -6.179 12 HG23 ILE 2 3HG2 ILE 2 3.769 -0.255 -4.527 13 HD11 ILE 2 3HD1 ILE 2 -1.325 0.181 -6.806 14 HD12 ILE 2 1HD1 ILE 2 -1.217 0.096 -5.026 15 HD13 ILE 2 2HD1 ILE 2 -0.555 1.494 -5.890 16 H VAL 3 H VAL 3 3.189 -2.436 -3.295 17 HA VAL 3 HA VAL 3 2.154 -4.652 -4.772 18 HB VAL 3 HB VAL 3 4.328 -4.475 -2.650 19 HG11 VAL 3 1HG1 VAL 3 5.246 -6.556 -3.693 20 HG12 VAL 3 2HG1 VAL 3 3.650 -6.830 -2.953 21 HG13 VAL 3 3HG1 VAL 3 3.797 -6.655 -4.717 22 HG21 VAL 3 3HG2 VAL 3 5.868 -4.407 -4.620 23 HG22 VAL 3 1HG2 VAL 3 4.449 -4.270 -5.671 24 HG23 VAL 3 2HG2 VAL 3 4.811 -2.990 -4.494 25 H GLU 4 H GLU 4 2.256 -3.945 -1.232 26 HA GLU 4 HA GLU 4 1.045 -6.460 -0.499 27 HB2 GLU 4 1HB GLU 4 1.257 -3.793 0.937 28 HB3 GLU 4 2HB GLU 4 0.645 -5.283 1.680 29 HG2 GLU 4 1HG GLU 4 2.800 -6.387 1.378 30 HG3 GLU 4 2HG GLU 4 3.418 -5.010 0.453 31 HE2 GLU 4 HE2 GLU 4 3.188 -4.791 4.374 32 H GLN 5 H GLN 5 -0.185 -3.312 -1.449 33 HA GLN 5 HA GLN 5 -2.897 -3.830 -0.538 34 HB2 GLN 5 1HB GLN 5 -1.579 -1.751 -2.303 35 HB3 GLN 5 2HB GLN 5 -3.324 -1.774 -2.050 36 HG2 GLN 5 1HG GLN 5 -1.437 -1.729 0.301 37 HG3 GLN 5 2HG GLN 5 -1.877 -0.256 -0.555 38 HE21 GLN 5 2HE2 GLN 5 -2.454 -0.515 2.099 39 HE22 GLN 5 1HE2 GLN 5 -4.179 -0.626 2.299 40 H CYS 6 H CYS 6 -1.254 -3.989 -3.718 41 HA CYS 6 HA CYS 6 -3.822 -4.916 -4.859 42 HB2 CYS 6 1HB CYS 6 -1.291 -3.813 -6.124 43 HB3 CYS 6 2HB CYS 6 -2.716 -4.375 -7.027 44 H CYS 7 H CYS 7 -0.395 -6.018 -4.642 45 HA CYS 7 HA CYS 7 -1.006 -8.233 -6.472 46 HB2 CYS 7 1HB CYS 7 1.260 -7.082 -6.268 47 HB3 CYS 7 2HB CYS 7 1.429 -7.879 -4.700 48 H THR 8 H THR 8 -0.134 -7.791 -3.048 49 HA THR 8 HA THR 8 -0.762 -10.498 -2.307 50 HB THR 8 HB THR 8 -0.559 -8.015 -0.564 51 HG1 THR 8 HG1 THR 8 1.527 -9.829 -1.197 52 HG21 THR 8 1HG2 THR 8 0.217 -9.583 1.161 53 HG22 THR 8 2HG2 THR 8 -0.002 -10.945 0.034 54 HG23 THR 8 3HG2 THR 8 -1.400 -10.010 0.609 55 H SER 9 H SER 9 -2.577 -7.398 -2.029 56 HA SER 9 HA SER 9 -4.934 -9.001 -1.130 57 HB2 SER 9 1HB SER 9 -4.482 -6.069 -0.594 58 HB3 SER 9 2HB SER 9 -5.635 -7.177 0.190 59 HG SER 9 HG SER 9 -2.855 -6.953 0.497 60 H ILE 10 H ILE 10 -6.939 -7.250 -1.417 61 HA ILE 10 HA ILE 10 -7.126 -6.922 -4.376 62 HB ILE 10 HB ILE 10 -9.241 -6.825 -2.167 63 HG12 ILE 10 1HG1 ILE 10 -8.399 -9.103 -2.592 64 HG13 ILE 10 2HG1 ILE 10 -10.100 -8.897 -3.013 65 HG21 ILE 10 1HG2 ILE 10 -10.898 -6.844 -4.128 66 HG22 ILE 10 2HG2 ILE 10 -9.996 -5.323 -3.920 67 HG23 ILE 10 3HG2 ILE 10 -9.528 -6.485 -5.189 68 HD11 ILE 10 3HD1 ILE 10 -9.557 -8.808 -5.396 69 HD12 ILE 10 1HD1 ILE 10 -7.827 -8.922 -5.022 70 HD13 ILE 10 2HD1 ILE 10 -8.897 -10.281 -4.657 71 H CYS 11 H CYS 11 -7.173 -4.908 -5.291 72 HA CYS 11 HA CYS 11 -7.733 -2.613 -3.490 73 HB2 CYS 11 1HB CYS 11 -5.912 -1.302 -4.381 74 HB3 CYS 11 2HB CYS 11 -5.247 -2.832 -3.791 75 H SER 12 H SER 12 -8.394 -0.678 -4.778 76 HA SER 12 HA SER 12 -9.585 -1.493 -7.398 77 HB2 SER 12 1HB SER 12 -11.211 -1.477 -5.441 78 HB3 SER 12 2HB SER 12 -10.915 0.284 -5.329 79 HG SER 12 HG SER 12 -12.754 -0.305 -6.622 80 H LEU 13 H LEU 13 -10.463 0.647 -8.459 81 HA LEU 13 HA LEU 13 -8.265 2.237 -9.154 82 HB2 LEU 13 1HB LEU 13 -9.851 3.679 -10.268 83 HB3 LEU 13 2HB LEU 13 -10.199 1.988 -10.568 84 HG LEU 13 HG LEU 13 -11.788 3.088 -8.352 85 HD11 LEU 13 1HD1 LEU 13 -12.100 4.259 -11.135 86 HD12 LEU 13 2HD1 LEU 13 -11.551 5.141 -9.683 87 HD13 LEU 13 3HD1 LEU 13 -13.212 4.500 -9.768 88 HD21 LEU 13 3HD2 LEU 13 -12.620 1.844 -10.985 89 HD22 LEU 13 1HD2 LEU 13 -13.586 2.009 -9.509 90 HD23 LEU 13 2HD2 LEU 13 -12.191 0.918 -9.526 91 H TYR 14 H TYR 14 -10.605 2.618 -6.559 92 HA TYR 14 HA TYR 14 -10.232 5.371 -6.011 93 HB2 TYR 14 1HB TYR 14 -12.031 3.815 -5.097 94 HB3 TYR 14 2HB TYR 14 -10.797 3.148 -4.018 95 HD1 TYR 14 HD1 TYR 14 -9.711 4.677 -2.253 96 HD2 TYR 14 HD2 TYR 14 -13.135 5.841 -4.586 97 HE1 TYR 14 HE1 TYR 14 -10.194 6.503 -0.629 98 HE2 TYR 14 HE2 TYR 14 -13.622 7.668 -2.939 99 HH TYR 14 HH TYR 14 -11.598 8.277 -0.086 100 H GLN 15 H GLN 15 -8.565 2.459 -4.753 101 HA GLN 15 HA GLN 15 -6.809 4.013 -3.035 102 HB2 GLN 15 1HB GLN 15 -6.660 1.169 -4.109 103 HB3 GLN 15 2HB GLN 15 -5.443 1.868 -3.045 104 HG2 GLN 15 1HG GLN 15 -6.901 0.617 -1.623 105 HG3 GLN 15 2HG GLN 15 -7.292 2.323 -1.353 106 HE21 GLN 15 2HE2 GLN 15 -9.377 1.911 -0.612 107 HE22 GLN 15 1HE2 GLN 15 -10.650 1.365 -1.672 108 H LEU 16 H LEU 16 -6.648 2.556 -6.295 109 HA LEU 16 HA LEU 16 -3.955 3.033 -6.794 110 HB2 LEU 16 1HB LEU 16 -6.282 2.381 -8.317 111 HB3 LEU 16 2HB LEU 16 -5.179 3.428 -9.241 112 HG LEU 16 HG LEU 16 -3.307 1.859 -8.563 113 HD11 LEU 16 1HD1 LEU 16 -4.321 0.775 -6.619 114 HD12 LEU 16 2HD1 LEU 16 -3.983 -0.434 -7.858 115 HD13 LEU 16 3HD1 LEU 16 -5.642 0.137 -7.618 116 HD21 LEU 16 3HD2 LEU 16 -3.922 0.119 -10.183 117 HD22 LEU 16 1HD2 LEU 16 -4.315 1.770 -10.753 118 HD23 LEU 16 2HD2 LEU 16 -5.607 0.704 -10.146 119 H GLU 17 H GLU 17 -6.626 5.343 -7.182 120 HA GLU 17 HA GLU 17 -5.134 7.302 -8.599 121 HB2 GLU 17 1HB GLU 17 -7.443 7.503 -6.649 122 HB3 GLU 17 2HB GLU 17 -6.748 8.929 -7.447 123 HG2 GLU 17 1HG GLU 17 -7.210 7.885 -9.649 124 HG3 GLU 17 2HG GLU 17 -8.020 6.536 -8.837 125 HE2 GLU 17 HE2 GLU 17 -10.907 8.176 -8.697 126 H ASN 18 H ASN 18 -5.053 6.455 -5.133 127 HA ASN 18 HA ASN 18 -3.803 8.943 -4.307 128 HB2 ASN 18 1HB ASN 18 -3.870 6.195 -2.985 129 HB3 ASN 18 2HB ASN 18 -3.243 7.673 -2.241 130 HD21 ASN 18 2HD2 ASN 18 -5.825 5.729 -2.341 131 HD22 ASN 18 1HD2 ASN 18 -7.074 6.871 -1.943 132 H TYR 19 H TYR 19 -2.692 6.174 -6.015 133 HA TYR 19 HA TYR 19 0.139 6.674 -5.246 134 HB2 TYR 19 1HB TYR 19 -1.137 4.571 -7.043 135 HB3 TYR 19 2HB TYR 19 0.587 4.643 -6.589 136 HD1 TYR 19 HD2 TYR 19 1.201 4.449 -4.121 137 HD2 TYR 19 HD1 TYR 19 -2.687 3.502 -5.627 138 HE1 TYR 19 HE2 TYR 19 0.676 3.175 -2.031 139 HE2 TYR 19 HE1 TYR 19 -3.207 2.200 -3.591 140 HH TYR 19 HH TYR 19 -0.861 1.982 -0.887 141 H CYS 20 H CYS 20 -1.945 8.193 -7.075 142 HA CYS 20 HA CYS 20 -0.024 8.633 -9.327 143 HB2 CYS 20 1HB CYS 20 -1.651 7.851 -10.614 144 HB3 CYS 20 2HB CYS 20 -2.827 7.863 -9.303 145 H ASN 21 H ASN 21 -2.551 10.013 -7.237 146 HA ASN 21 HA ASN 21 -3.010 12.117 -6.502 147 HB2 ASN 21 1HB ASN 21 -0.704 11.984 -5.574 148 HB3 ASN 21 2HB ASN 21 -0.091 12.785 -7.028 149 HD21 ASN 21 2HD2 ASN 21 0.506 14.716 -6.344 150 HD22 ASN 21 1HD2 ASN 21 -0.546 15.842 -5.536 151 HXT ASN 21 H02 ASN 21 -4.023 11.905 -8.303 152 H1 PHE 1 2H0 PHE 1 -12.546 0.106 -15.872 153 H2 PHE 1 1H0 PHE 1 -13.540 -1.178 -15.645 154 HA PHE 1 HA PHE 1 -11.329 -1.520 -14.588 155 HB2 PHE 1 1HB PHE 1 -11.223 0.999 -14.114 156 HB3 PHE 1 2HB PHE 1 -12.271 0.689 -12.750 157 HD1 PHE 1 HD1 PHE 1 -11.411 -1.132 -11.024 158 HD2 PHE 1 HD2 PHE 1 -8.888 0.914 -13.862 159 HE1 PHE 1 HE1 PHE 1 -9.445 -1.696 -9.662 160 HE2 PHE 1 HE2 PHE 1 -6.921 0.398 -12.450 161 HZ PHE 1 HZ PHE 1 -7.184 -0.925 -10.368 162 H VAL 2 H VAL 2 -11.248 -3.191 -13.321 163 HA VAL 2 HA VAL 2 -13.466 -3.590 -11.362 164 HB VAL 2 HB VAL 2 -13.895 -5.078 -13.273 165 HG11 VAL 2 1HG1 VAL 2 -12.314 -6.823 -13.951 166 HG12 VAL 2 2HG1 VAL 2 -11.564 -5.216 -14.149 167 HG13 VAL 2 3HG1 VAL 2 -11.133 -6.260 -12.761 168 HG21 VAL 2 3HG2 VAL 2 -14.029 -7.208 -12.101 169 HG22 VAL 2 1HG2 VAL 2 -12.773 -6.716 -10.956 170 HG23 VAL 2 2HG2 VAL 2 -14.359 -5.896 -10.943 171 H ASN 3 H ASN 3 -12.905 -4.312 -9.401 172 HA ASN 3 HA ASN 3 -10.078 -3.984 -8.693 173 HB2 ASN 3 1HB ASN 3 -10.833 -4.162 -6.392 174 HB3 ASN 3 2HB ASN 3 -11.905 -3.070 -7.232 175 HD21 ASN 3 2HD2 ASN 3 -14.068 -3.766 -7.675 176 HD22 ASN 3 1HD2 ASN 3 -14.754 -5.120 -6.816 177 H GLN 4 H GLN 4 -8.664 -5.567 -8.289 178 HA GLN 4 HA GLN 4 -9.397 -8.345 -7.771 179 HB2 GLN 4 1HB GLN 4 -8.513 -9.227 -9.882 180 HB3 GLN 4 2HB GLN 4 -9.920 -8.200 -10.218 181 HG2 GLN 4 1HG GLN 4 -8.363 -6.348 -10.817 182 HG3 GLN 4 2HG GLN 4 -6.998 -7.427 -10.570 183 HE21 GLN 4 2HE2 GLN 4 -8.827 -6.075 -12.886 184 HE22 GLN 4 1HE2 GLN 4 -8.675 -7.299 -14.129 185 H HIS 5 H HIS 5 -7.175 -9.618 -8.102 186 HA HIS 5 HA HIS 5 -5.107 -8.068 -6.753 187 HB2 HIS 5 1HB HIS 5 -5.128 -10.868 -7.934 188 HB3 HIS 5 2HB HIS 5 -3.705 -10.138 -7.156 189 HD1 HIS 5 HD1 HIS 5 -3.869 -9.575 -4.562 190 HD2 HIS 5 HD2 HIS 5 -7.071 -11.810 -6.106 191 HE1 HIS 5 HE1 HIS 5 -5.146 -10.511 -2.581 192 HE2 HIS 5 HE2 HIS 5 -7.022 -11.929 -3.526 193 H LEU 6 H LEU 6 -3.445 -7.036 -7.681 194 HA LEU 6 HA LEU 6 -2.972 -7.377 -10.624 195 HB2 LEU 6 1HB LEU 6 -3.418 -4.812 -9.050 196 HB3 LEU 6 2HB LEU 6 -2.672 -4.850 -10.657 197 HG LEU 6 HG LEU 6 -5.380 -6.022 -10.202 198 HD11 LEU 6 1HD1 LEU 6 -5.573 -3.783 -9.362 199 HD12 LEU 6 2HD1 LEU 6 -6.293 -3.820 -10.987 200 HD13 LEU 6 3HD1 LEU 6 -4.656 -3.132 -10.751 201 HD21 LEU 6 3HD2 LEU 6 -3.960 -4.898 -12.630 202 HD22 LEU 6 1HD2 LEU 6 -5.641 -5.475 -12.625 203 HD23 LEU 6 2HD2 LEU 6 -4.310 -6.611 -12.292 204 H CYS 7 H CYS 7 -0.889 -7.499 -11.108 205 HA CYS 7 HA CYS 7 1.120 -6.533 -9.124 206 HB2 CYS 7 1HB CYS 7 0.305 -9.087 -8.942 207 HB3 CYS 7 2HB CYS 7 1.458 -9.303 -10.256 208 H GLY 8 H GLY 8 3.335 -6.553 -10.074 209 HA2 GLY 8 1HA GLY 8 4.736 -5.972 -11.798 210 HA3 GLY 8 2HA GLY 8 3.987 -7.304 -12.638 211 H SER 9 H SER 9 3.918 -6.637 -14.661 212 HA SER 9 HA SER 9 3.377 -3.999 -15.554 213 HB2 SER 9 1HB SER 9 2.812 -5.247 -17.735 214 HB3 SER 9 2HB SER 9 4.427 -5.458 -17.079 215 HG SER 9 HG SER 9 3.342 -7.446 -17.683 216 H HIS 10 H HIS 10 1.190 -6.653 -14.686 217 HA HIS 10 HA HIS 10 -1.155 -5.525 -15.872 218 HB2 HIS 10 1HB HIS 10 -0.508 -7.827 -14.473 219 HB3 HIS 10 2HB HIS 10 -1.537 -6.951 -13.319 220 HD1 HIS 10 HD1 HIS 10 -2.676 -9.570 -14.475 221 HD2 HIS 10 HD2 HIS 10 -3.194 -5.826 -16.276 222 HE1 HIS 10 HE1 HIS 10 -4.687 -9.766 -16.019 223 HE2 HIS 10 HE2 HIS 10 -4.989 -7.506 -17.096 224 H LEU 11 H LEU 11 0.419 -5.110 -12.684 225 HA LEU 11 HA LEU 11 -1.561 -3.308 -11.590 226 HB2 LEU 11 1HB LEU 11 0.725 -4.506 -10.706 227 HB3 LEU 11 2HB LEU 11 1.271 -2.858 -10.880 228 HG LEU 11 HG LEU 11 -1.039 -3.789 -9.141 229 HD11 LEU 11 1HD1 LEU 11 1.202 -4.458 -8.348 230 HD12 LEU 11 2HD1 LEU 11 0.477 -3.238 -7.286 231 HD13 LEU 11 3HD1 LEU 11 1.754 -2.772 -8.445 232 HD21 LEU 11 3HD2 LEU 11 0.183 -1.012 -9.446 233 HD22 LEU 11 1HD2 LEU 11 -1.025 -1.500 -8.239 234 HD23 LEU 11 2HD2 LEU 11 -1.458 -1.527 -9.939 235 H VAL 12 H VAL 12 1.501 -2.764 -13.423 236 HA VAL 12 HA VAL 12 1.348 0.086 -13.349 237 HB VAL 12 HB VAL 12 2.616 -1.712 -15.481 238 HG11 VAL 12 1HG1 VAL 12 4.015 0.276 -16.027 239 HG12 VAL 12 2HG1 VAL 12 2.294 0.574 -16.337 240 HG13 VAL 12 3HG1 VAL 12 3.056 1.257 -14.885 241 HG21 VAL 12 3HG2 VAL 12 3.513 -2.093 -13.217 242 HG22 VAL 12 1HG2 VAL 12 4.717 -1.291 -14.254 243 HG23 VAL 12 2HG2 VAL 12 3.817 -0.350 -13.035 244 H GLU 13 H GLU 13 -0.011 -2.277 -15.682 245 HA GLU 13 HA GLU 13 -1.098 -0.351 -17.490 246 HB2 GLU 13 1HB GLU 13 -1.754 -3.208 -16.755 247 HB3 GLU 13 2HB GLU 13 -2.814 -2.318 -17.842 248 HG2 GLU 13 1HG GLU 13 -1.087 -2.011 -19.458 249 HG3 GLU 13 2HG GLU 13 0.148 -2.606 -18.326 250 HE2 GLU 13 HE2 GLU 13 -2.747 -3.517 -19.743 251 H ALA 14 H ALA 14 -2.456 -1.839 -14.526 252 HA ALA 14 HA ALA 14 -5.030 -0.657 -14.846 253 HB1 ALA 14 3HB ALA 14 -5.296 -1.093 -12.454 254 HB2 ALA 14 1HB ALA 14 -4.543 -2.474 -13.277 255 HB3 ALA 14 2HB ALA 14 -3.543 -1.385 -12.297 256 H LEU 15 H LEU 15 -2.075 0.491 -13.141 257 HA LEU 15 HA LEU 15 -3.241 2.916 -12.204 258 HB2 LEU 15 1HB LEU 15 -0.572 1.742 -12.504 259 HB3 LEU 15 2HB LEU 15 -0.580 3.504 -12.682 260 HG LEU 15 HG LEU 15 -1.752 2.030 -10.298 261 HD11 LEU 15 1HD1 LEU 15 0.277 2.839 -9.119 262 HD12 LEU 15 2HD1 LEU 15 0.927 3.391 -10.680 263 HD13 LEU 15 3HD1 LEU 15 0.630 1.663 -10.408 264 HD21 LEU 15 3HD2 LEU 15 -1.668 4.297 -9.246 265 HD22 LEU 15 1HD2 LEU 15 -2.764 4.249 -10.631 266 HD23 LEU 15 2HD2 LEU 15 -1.160 4.995 -10.793 267 H TYR 16 H TYR 16 -1.705 2.049 -15.296 268 HA TYR 16 HA TYR 16 -1.633 4.720 -16.306 269 HB2 TYR 16 1HB TYR 16 -0.354 2.928 -17.328 270 HB3 TYR 16 2HB TYR 16 -1.836 2.053 -17.691 271 HD1 TYR 16 HD1 TYR 16 -0.041 5.248 -18.445 272 HD2 TYR 16 HD2 TYR 16 -3.049 2.433 -19.671 273 HE1 TYR 16 HE1 TYR 16 -0.232 6.400 -20.639 274 HE2 TYR 16 HE2 TYR 16 -3.220 3.559 -21.892 275 HH TYR 16 HH TYR 16 -1.212 6.399 -22.708 276 H LEU 17 H LEU 17 -4.144 2.167 -16.439 277 HA LEU 17 HA LEU 17 -5.806 3.647 -18.271 278 HB2 LEU 17 1HB LEU 17 -6.321 1.318 -16.417 279 HB3 LEU 17 2HB LEU 17 -7.568 2.003 -17.464 280 HG LEU 17 HG LEU 17 -4.923 1.032 -18.584 281 HD11 LEU 17 1HD1 LEU 17 -6.079 -1.084 -19.135 282 HD12 LEU 17 2HD1 LEU 17 -7.469 -0.554 -18.186 283 HD13 LEU 17 3HD1 LEU 17 -5.903 -0.836 -17.387 284 HD21 LEU 17 3HD2 LEU 17 -6.181 0.840 -20.658 285 HD22 LEU 17 1HD2 LEU 17 -6.277 2.494 -20.029 286 HD23 LEU 17 2HD2 LEU 17 -7.663 1.400 -19.839 287 H VAL 18 H VAL 18 -5.743 3.341 -14.710 288 HA VAL 18 HA VAL 18 -8.119 4.992 -14.468 289 HB VAL 18 HB VAL 18 -7.604 3.272 -12.782 290 HG11 VAL 18 1HG1 VAL 18 -5.851 3.451 -11.231 291 HG12 VAL 18 2HG1 VAL 18 -5.126 3.656 -12.826 292 HG13 VAL 18 3HG1 VAL 18 -5.387 5.076 -11.797 293 HG21 VAL 18 3HG2 VAL 18 -9.036 5.143 -12.095 294 HG22 VAL 18 1HG2 VAL 18 -8.015 4.632 -10.742 295 HG23 VAL 18 2HG2 VAL 18 -7.612 6.103 -11.646 296 H CYS 19 H CYS 19 -4.610 5.646 -14.284 297 HA CYS 19 HA CYS 19 -5.345 8.532 -13.941 298 HB2 CYS 19 1HB CYS 19 -3.873 6.813 -12.219 299 HB3 CYS 19 2HB CYS 19 -2.814 8.085 -12.826 300 H GLY 20 H GLY 20 -3.124 6.325 -15.558 301 HA2 GLY 20 1HA GLY 20 -1.236 8.360 -16.238 302 HA3 GLY 20 2HA GLY 20 -1.426 6.805 -17.069 303 H GLU 21 H GLU 21 -4.163 7.138 -17.802 304 HA GLU 21 HA GLU 21 -3.835 8.919 -20.128 305 HB2 GLU 21 1HB GLU 21 -6.204 7.264 -19.181 306 HB3 GLU 21 2HB GLU 21 -6.138 8.151 -20.695 307 HG2 GLU 21 1HG GLU 21 -4.121 6.848 -21.331 308 HG3 GLU 21 2HG GLU 21 -4.347 5.863 -19.888 309 HE2 GLU 21 HE2 GLU 21 -4.654 5.847 -22.846 310 H ARG 22 H ARG 22 -4.701 9.365 -16.949 311 HA ARG 22 HA ARG 22 -6.538 11.642 -17.476 312 HB2 ARG 22 1HB ARG 22 -6.511 9.601 -15.604 313 HB3 ARG 22 2HB ARG 22 -5.844 10.944 -14.687 314 HG2 ARG 22 1HG ARG 22 -8.437 11.116 -16.265 315 HG3 ARG 22 2HG ARG 22 -8.371 10.609 -14.570 316 HD2 ARG 22 1HD ARG 22 -7.352 13.270 -15.620 317 HD3 ARG 22 2HD ARG 22 -8.933 13.028 -14.851 318 HE ARG 22 HE ARG 22 -6.314 13.164 -13.559 319 HH11 ARG 22 1HH1 ARG 22 -9.671 12.154 -13.122 320 HH12 ARG 22 2HH1 ARG 22 -9.542 12.165 -11.386 321 HH21 ARG 22 1HH2 ARG 22 -6.236 13.137 -11.345 322 HH22 ARG 22 2HH2 ARG 22 -7.638 12.677 -10.406 323 H GLY 23 H GLY 23 -3.373 11.192 -17.664 324 HA2 GLY 23 1HA GLY 23 -1.711 12.779 -17.719 325 HA3 GLY 23 2HA GLY 23 -2.798 13.961 -16.997 326 H GLY 24 H GLY 24 -2.391 11.007 -15.221 327 HA2 GLY 24 1HA GLY 24 -0.432 12.382 -13.425 328 HA3 GLY 24 2HA GLY 24 -1.831 11.490 -12.832 329 H PHE 25 H PHE 25 1.110 11.093 -14.868 330 HA PHE 25 HA PHE 25 1.336 8.343 -13.734 331 HB2 PHE 25 1HB PHE 25 0.684 8.736 -16.319 332 HB3 PHE 25 2HB PHE 25 2.430 8.865 -16.460 333 HD1 PHE 25 HD1 PHE 25 0.178 6.639 -14.366 334 HD2 PHE 25 HD2 PHE 25 3.273 6.894 -17.363 335 HE1 PHE 25 HE1 PHE 25 0.388 4.179 -14.359 336 HE2 PHE 25 HE2 PHE 25 3.486 4.414 -17.341 337 HZ PHE 25 HZ PHE 25 2.038 3.052 -15.825 338 H TYR 26 H TYR 26 3.429 7.532 -13.430 339 HA TYR 26 HA TYR 26 5.522 9.661 -13.368 340 HB2 TYR 26 1HB TYR 26 6.497 8.394 -11.475 341 HB3 TYR 26 2HB TYR 26 4.818 8.907 -11.157 342 HD1 TYR 26 HD2 TYR 26 6.966 6.000 -12.028 343 HD2 TYR 26 HD1 TYR 26 3.033 7.280 -10.822 344 HE1 TYR 26 HE2 TYR 26 6.314 3.640 -11.580 345 HE2 TYR 26 HE1 TYR 26 2.402 4.906 -10.388 346 HH TYR 26 HH TYR 26 4.721 2.224 -10.880 347 H NVA 27 H ARX 27 4.598 6.968 -14.963 348 HA NVA 27 HA ARX 27 5.478 5.351 -16.262 349 HB2 NVA 27 1HB ARX 27 5.944 7.815 -17.312 350 HB3 NVA 27 2HB ARX 27 7.577 7.192 -17.349 351 HG2 NVA 27 1HG ARX 27 6.308 4.961 -18.385 352 HG3 NVA 27 2HG ARX 27 5.123 6.192 -18.828 353 HD2 NVA 27 1HD ARX 27 6.539 5.987 -20.680 354 HD3 NVA 27 2HD ARX 27 7.135 7.470 -19.958 355 HA PRO 28 HA PRO 28 9.196 3.609 -14.158 356 HB2 PRO 28 1HB PRO 28 8.301 1.064 -13.798 357 HB3 PRO 28 2HB PRO 28 7.737 2.412 -12.762 358 HG2 PRO 28 1HG PRO 28 6.391 1.170 -15.152 359 HG3 PRO 28 2HG PRO 28 5.705 1.573 -13.547 360 HD2 PRO 28 1HD PRO 28 5.448 3.163 -15.778 361 HD3 PRO 28 2HD PRO 28 5.421 3.784 -14.082 362 H HIX 29 H HIX 29 10.094 4.100 -16.315 363 HA HIX 29 HA HIX 29 9.783 2.434 -18.592 364 HB1 HIX 29 1HB HIX 29 11.784 4.610 -17.922 365 HB2 HIX 29 2HB HIX 29 12.015 3.623 -19.316 366 HD2 HIX 29 HD2 HIX 29 8.592 5.139 -17.844 367 HD1 HIX 29 HD1 HIX 29 10.881 4.958 -21.374 368 H THR 30 H THR 30 10.623 0.762 -19.429 369 HA THR 30 HA THR 30 13.248 -0.312 -18.738 370 HB THR 30 HB THR 30 12.123 -2.690 -18.503 371 HG1 THR 30 HG1 THR 30 10.040 -0.931 -17.620 372 HG21 THR 30 1HG2 THR 30 13.380 -1.515 -16.609 373 HG22 THR 30 2HG2 THR 30 12.058 -2.587 -16.097 374 HG23 THR 30 3HG2 THR 30 11.808 -0.824 -16.088 375 HXT THR 30 H02 THR 30 13.127 -1.147 -21.942 Start of MODEL 12 1 H1 GLY 1 2H0 GLY 1 0.978 0.347 1.335 2 H2 GLY 1 1H0 GLY 1 1.496 -1.150 1.726 3 HA2 GLY 1 1HA GLY 1 2.753 0.655 -0.278 4 HA3 GLY 1 2HA GLY 1 3.381 -0.958 0.174 5 H ILE 2 H ILE 2 2.524 0.213 -2.409 6 HA ILE 2 HA ILE 2 0.003 -0.739 -3.216 7 HB ILE 2 HB ILE 2 1.501 0.846 -4.509 8 HG12 ILE 2 1HG1 ILE 2 1.034 -0.178 -6.812 9 HG13 ILE 2 2HG1 ILE 2 0.320 -1.553 -5.949 10 HG21 ILE 2 1HG2 ILE 2 3.642 -0.503 -4.283 11 HG22 ILE 2 2HG2 ILE 2 2.972 -1.687 -5.427 12 HG23 ILE 2 3HG2 ILE 2 3.287 -0.015 -5.959 13 HD11 ILE 2 3HD1 ILE 2 -1.288 0.019 -4.869 14 HD12 ILE 2 1HD1 ILE 2 -0.599 1.342 -5.844 15 HD13 ILE 2 2HD1 ILE 2 -1.411 -0.028 -6.634 16 H VAL 3 H VAL 3 3.030 -2.547 -2.864 17 HA VAL 3 HA VAL 3 2.178 -4.821 -4.394 18 HB VAL 3 HB VAL 3 4.213 -4.527 -2.168 19 HG11 VAL 3 1HG1 VAL 3 3.506 -6.879 -2.228 20 HG12 VAL 3 2HG1 VAL 3 3.713 -6.924 -3.988 21 HG13 VAL 3 3HG1 VAL 3 5.129 -6.732 -2.921 22 HG21 VAL 3 3HG2 VAL 3 4.478 -4.765 -5.193 23 HG22 VAL 3 1HG2 VAL 3 4.770 -3.294 -4.224 24 HG23 VAL 3 2HG2 VAL 3 5.831 -4.703 -4.047 25 H GLU 4 H GLU 4 1.936 -4.114 -0.855 26 HA GLU 4 HA GLU 4 0.671 -6.650 -0.357 27 HB2 GLU 4 1HB GLU 4 0.936 -4.118 1.264 28 HB3 GLU 4 2HB GLU 4 0.124 -5.568 1.851 29 HG2 GLU 4 1HG GLU 4 2.163 -6.891 1.549 30 HG3 GLU 4 2HG GLU 4 3.013 -5.460 0.941 31 HE2 GLU 4 HE2 GLU 4 2.058 -5.545 4.782 32 H GLN 5 H GLN 5 -0.479 -3.430 -1.151 33 HA GLN 5 HA GLN 5 -3.235 -4.000 -0.507 34 HB2 GLN 5 1HB GLN 5 -1.696 -1.772 -1.698 35 HB3 GLN 5 2HB GLN 5 -3.355 -1.942 -2.290 36 HG2 GLN 5 1HG GLN 5 -3.619 -0.499 -0.489 37 HG3 GLN 5 2HG GLN 5 -4.032 -2.066 0.218 38 HE21 GLN 5 2HE2 GLN 5 -2.756 0.665 1.079 39 HE22 GLN 5 1HE2 GLN 5 -1.440 0.154 2.111 40 H CYS 6 H CYS 6 -1.327 -4.208 -3.553 41 HA CYS 6 HA CYS 6 -3.828 -5.116 -4.899 42 HB2 CYS 6 1HB CYS 6 -1.273 -3.949 -5.981 43 HB3 CYS 6 2HB CYS 6 -2.577 -4.568 -6.981 44 H CYS 7 H CYS 7 -0.352 -6.102 -4.543 45 HA CYS 7 HA CYS 7 -0.817 -8.324 -6.400 46 HB2 CYS 7 1HB CYS 7 1.415 -7.911 -4.367 47 HB3 CYS 7 2HB CYS 7 1.400 -9.127 -5.619 48 H THR 8 H THR 8 -0.337 -7.890 -2.883 49 HA THR 8 HA THR 8 -1.093 -10.615 -2.258 50 HB THR 8 HB THR 8 -0.874 -8.181 -0.434 51 HG1 THR 8 HG1 THR 8 1.127 -10.118 -0.872 52 HG21 THR 8 1HG2 THR 8 -0.255 -9.884 1.273 53 HG22 THR 8 2HG2 THR 8 -0.676 -11.172 0.123 54 HG23 THR 8 3HG2 THR 8 -1.926 -10.055 0.719 55 H SER 9 H SER 9 -2.810 -7.450 -1.971 56 HA SER 9 HA SER 9 -5.251 -9.013 -1.241 57 HB2 SER 9 1HB SER 9 -4.789 -6.097 -0.686 58 HB3 SER 9 2HB SER 9 -5.982 -7.184 0.029 59 HG SER 9 HG SER 9 -3.209 -7.004 0.491 60 H ILE 10 H ILE 10 -7.262 -7.330 -1.593 61 HA ILE 10 HA ILE 10 -7.327 -6.950 -4.550 62 HB ILE 10 HB ILE 10 -9.514 -6.780 -2.409 63 HG12 ILE 10 1HG1 ILE 10 -8.692 -9.096 -2.792 64 HG13 ILE 10 2HG1 ILE 10 -10.390 -8.864 -3.207 65 HG21 ILE 10 1HG2 ILE 10 -10.183 -5.314 -4.202 66 HG22 ILE 10 2HG2 ILE 10 -9.687 -6.480 -5.445 67 HG23 ILE 10 3HG2 ILE 10 -11.105 -6.806 -4.423 68 HD11 ILE 10 3HD1 ILE 10 -9.819 -8.789 -5.604 69 HD12 ILE 10 1HD1 ILE 10 -8.090 -8.964 -5.208 70 HD13 ILE 10 2HD1 ILE 10 -9.216 -10.284 -4.856 71 H CYS 11 H CYS 11 -7.211 -4.942 -5.417 72 HA CYS 11 HA CYS 11 -7.781 -2.611 -3.638 73 HB2 CYS 11 1HB CYS 11 -5.944 -1.385 -4.642 74 HB3 CYS 11 2HB CYS 11 -5.351 -2.861 -3.891 75 H SER 12 H SER 12 -8.447 -0.747 -4.739 76 HA SER 12 HA SER 12 -9.852 -1.391 -7.309 77 HB2 SER 12 1HB SER 12 -10.709 0.469 -5.044 78 HB3 SER 12 2HB SER 12 -11.640 0.126 -6.518 79 HG SER 12 HG SER 12 -12.187 -1.110 -4.543 80 H LEU 13 H LEU 13 -10.322 0.468 -8.644 81 HA LEU 13 HA LEU 13 -8.110 2.032 -9.278 82 HB2 LEU 13 1HB LEU 13 -9.645 3.308 -10.673 83 HB3 LEU 13 2HB LEU 13 -9.924 1.593 -10.812 84 HG LEU 13 HG LEU 13 -11.701 2.807 -8.843 85 HD11 LEU 13 1HD1 LEU 13 -11.796 3.829 -11.712 86 HD12 LEU 13 2HD1 LEU 13 -11.431 4.789 -10.254 87 HD13 LEU 13 3HD1 LEU 13 -13.042 4.085 -10.461 88 HD21 LEU 13 3HD2 LEU 13 -11.983 0.574 -9.866 89 HD22 LEU 13 1HD2 LEU 13 -12.241 1.335 -11.448 90 HD23 LEU 13 2HD2 LEU 13 -13.388 1.620 -10.112 91 H TYR 14 H TYR 14 -10.728 2.719 -7.044 92 HA TYR 14 HA TYR 14 -10.336 5.475 -6.644 93 HB2 TYR 14 1HB TYR 14 -12.194 3.907 -5.800 94 HB3 TYR 14 2HB TYR 14 -11.088 3.439 -4.495 95 HD1 TYR 14 HD2 TYR 14 -10.439 5.117 -2.738 96 HD2 TYR 14 HD1 TYR 14 -13.287 6.079 -5.817 97 HE1 TYR 14 HE2 TYR 14 -11.193 7.084 -1.417 98 HE2 TYR 14 HE1 TYR 14 -14.049 8.050 -4.481 99 HH TYR 14 HH TYR 14 -12.586 8.900 -1.348 100 H GLN 15 H GLN 15 -8.740 2.684 -4.911 101 HA GLN 15 HA GLN 15 -7.176 4.589 -3.336 102 HB2 GLN 15 1HB GLN 15 -6.935 1.589 -3.703 103 HB3 GLN 15 2HB GLN 15 -5.856 2.560 -2.702 104 HG2 GLN 15 1HG GLN 15 -7.895 3.342 -1.429 105 HG3 GLN 15 2HG GLN 15 -8.818 2.102 -2.279 106 HE21 GLN 15 2HE2 GLN 15 -9.105 1.557 0.136 107 HE22 GLN 15 1HE2 GLN 15 -7.945 0.432 0.801 108 H LEU 16 H LEU 16 -6.796 2.716 -6.342 109 HA LEU 16 HA LEU 16 -4.030 2.986 -6.640 110 HB2 LEU 16 1HB LEU 16 -6.258 2.342 -8.326 111 HB3 LEU 16 2HB LEU 16 -5.039 3.309 -9.212 112 HG LEU 16 HG LEU 16 -3.303 1.696 -8.198 113 HD11 LEU 16 1HD1 LEU 16 -4.195 -0.569 -7.682 114 HD12 LEU 16 2HD1 LEU 16 -5.843 0.093 -7.714 115 HD13 LEU 16 3HD1 LEU 16 -4.684 0.646 -6.487 116 HD21 LEU 16 3HD2 LEU 16 -4.005 1.686 -10.546 117 HD22 LEU 16 1HD2 LEU 16 -5.338 0.578 -10.144 118 HD23 LEU 16 2HD2 LEU 16 -3.646 0.068 -9.944 119 H GLU 17 H GLU 17 -6.576 5.341 -7.387 120 HA GLU 17 HA GLU 17 -5.026 7.266 -8.752 121 HB2 GLU 17 1HB GLU 17 -7.307 7.530 -6.776 122 HB3 GLU 17 2HB GLU 17 -6.597 8.929 -7.590 123 HG2 GLU 17 1HG GLU 17 -7.182 7.987 -9.765 124 HG3 GLU 17 2HG GLU 17 -7.883 6.561 -8.973 125 HE2 GLU 17 HE2 GLU 17 -9.904 9.850 -9.342 126 H ASN 18 H ASN 18 -5.140 6.580 -5.216 127 HA ASN 18 HA ASN 18 -3.774 9.043 -4.512 128 HB2 ASN 18 1HB ASN 18 -3.990 6.381 -3.026 129 HB3 ASN 18 2HB ASN 18 -3.338 7.879 -2.343 130 HD21 ASN 18 2HD2 ASN 18 -5.896 6.025 -2.159 131 HD22 ASN 18 1HD2 ASN 18 -7.158 7.211 -1.976 132 H TYR 19 H TYR 19 -2.693 5.933 -5.732 133 HA TYR 19 HA TYR 19 0.084 6.374 -4.838 134 HB2 TYR 19 1HB TYR 19 -1.168 4.388 -6.770 135 HB3 TYR 19 2HB TYR 19 0.536 4.374 -6.272 136 HD1 TYR 19 HD2 TYR 19 1.109 3.930 -3.813 137 HD2 TYR 19 HD1 TYR 19 -2.834 3.406 -5.392 138 HE1 TYR 19 HE2 TYR 19 0.499 2.481 -1.870 139 HE2 TYR 19 HE1 TYR 19 -3.456 1.984 -3.482 140 HH TYR 19 HH TYR 19 -1.095 1.226 -0.869 141 H CYS 20 H CYS 20 -1.924 7.575 -7.297 142 HA CYS 20 HA CYS 20 0.328 7.959 -9.199 143 HB2 CYS 20 1HB CYS 20 -2.034 7.349 -9.916 144 HB3 CYS 20 2HB CYS 20 -2.547 8.939 -9.350 145 H ASN 21 H ASN 21 -1.800 9.591 -6.923 146 HA ASN 21 HA ASN 21 -0.761 12.266 -7.411 147 HB2 ASN 21 1HB ASN 21 -3.079 11.672 -6.448 148 HB3 ASN 21 2HB ASN 21 -2.270 11.301 -4.928 149 HD21 ASN 21 2HD2 ASN 21 -2.171 12.932 -3.534 150 HD22 ASN 21 1HD2 ASN 21 -2.187 14.625 -3.962 151 HXT ASN 21 H02 ASN 21 -0.182 9.905 -5.120 152 H1 PHE 1 2H0 PHE 1 -11.847 -0.600 -16.420 153 H2 PHE 1 1H0 PHE 1 -12.951 -1.777 -16.103 154 HA PHE 1 HA PHE 1 -10.904 -2.079 -14.781 155 HB2 PHE 1 1HB PHE 1 -10.600 0.472 -14.741 156 HB3 PHE 1 2HB PHE 1 -11.792 0.534 -13.475 157 HD1 PHE 1 HD1 PHE 1 -11.138 -1.459 -11.480 158 HD2 PHE 1 HD2 PHE 1 -8.440 0.798 -13.996 159 HE1 PHE 1 HE1 PHE 1 -9.325 -1.806 -9.843 160 HE2 PHE 1 HE2 PHE 1 -6.656 0.477 -12.327 161 HZ PHE 1 HZ PHE 1 -7.099 -0.838 -10.243 162 H VAL 2 H VAL 2 -11.384 -3.731 -13.587 163 HA VAL 2 HA VAL 2 -13.547 -3.415 -11.544 164 HB VAL 2 HB VAL 2 -14.077 -5.145 -13.288 165 HG11 VAL 2 1HG1 VAL 2 -11.792 -5.915 -13.773 166 HG12 VAL 2 2HG1 VAL 2 -11.697 -6.646 -12.168 167 HG13 VAL 2 3HG1 VAL 2 -12.865 -7.267 -13.364 168 HG21 VAL 2 3HG2 VAL 2 -14.789 -6.869 -11.745 169 HG22 VAL 2 1HG2 VAL 2 -13.590 -6.358 -10.540 170 HG23 VAL 2 2HG2 VAL 2 -14.957 -5.289 -10.950 171 H ASN 3 H ASN 3 -13.046 -4.174 -9.455 172 HA ASN 3 HA ASN 3 -10.239 -3.861 -8.765 173 HB2 ASN 3 1HB ASN 3 -10.996 -4.118 -6.450 174 HB3 ASN 3 2HB ASN 3 -12.000 -2.947 -7.315 175 HD21 ASN 3 2HD2 ASN 3 -14.146 -3.379 -7.709 176 HD22 ASN 3 1HD2 ASN 3 -14.972 -4.737 -6.967 177 H GLN 4 H GLN 4 -8.814 -5.394 -8.170 178 HA GLN 4 HA GLN 4 -9.458 -8.226 -7.911 179 HB2 GLN 4 1HB GLN 4 -8.416 -8.925 -10.037 180 HB3 GLN 4 2HB GLN 4 -9.836 -7.934 -10.364 181 HG2 GLN 4 1HG GLN 4 -8.246 -5.949 -10.640 182 HG3 GLN 4 2HG GLN 4 -6.919 -7.117 -10.570 183 HE21 GLN 4 2HE2 GLN 4 -9.420 -5.743 -12.463 184 HE22 GLN 4 1HE2 GLN 4 -9.041 -6.598 -13.945 185 H HIS 5 H HIS 5 -7.207 -9.426 -8.212 186 HA HIS 5 HA HIS 5 -5.168 -7.928 -6.728 187 HB2 HIS 5 1HB HIS 5 -5.232 -10.686 -8.017 188 HB3 HIS 5 2HB HIS 5 -3.836 -10.032 -7.162 189 HD1 HIS 5 HD1 HIS 5 -4.147 -9.505 -4.538 190 HD2 HIS 5 HD2 HIS 5 -7.170 -11.777 -6.362 191 HE1 HIS 5 HE1 HIS 5 -5.490 -10.568 -2.664 192 HE2 HIS 5 HE2 HIS 5 -7.292 -11.970 -3.767 193 H LEU 6 H LEU 6 -3.425 -6.937 -7.617 194 HA LEU 6 HA LEU 6 -2.963 -7.236 -10.559 195 HB2 LEU 6 1HB LEU 6 -3.297 -4.674 -8.977 196 HB3 LEU 6 2HB LEU 6 -2.596 -4.729 -10.598 197 HG LEU 6 HG LEU 6 -5.333 -5.831 -10.041 198 HD11 LEU 6 1HD1 LEU 6 -6.232 -3.585 -10.737 199 HD12 LEU 6 2HD1 LEU 6 -4.579 -2.939 -10.532 200 HD13 LEU 6 3HD1 LEU 6 -5.450 -3.629 -9.148 201 HD21 LEU 6 3HD2 LEU 6 -3.991 -4.671 -12.517 202 HD22 LEU 6 1HD2 LEU 6 -5.694 -5.179 -12.415 203 HD23 LEU 6 2HD2 LEU 6 -4.416 -6.370 -12.206 204 H CYS 7 H CYS 7 -0.830 -7.257 -11.072 205 HA CYS 7 HA CYS 7 1.137 -6.183 -9.177 206 HB2 CYS 7 1HB CYS 7 0.433 -8.703 -8.646 207 HB3 CYS 7 2HB CYS 7 1.590 -9.048 -9.942 208 H GLY 8 H GLY 8 3.377 -6.363 -10.114 209 HA2 GLY 8 1HA GLY 8 4.796 -5.957 -11.873 210 HA3 GLY 8 2HA GLY 8 3.975 -7.306 -12.643 211 H SER 9 H SER 9 3.961 -6.647 -14.715 212 HA SER 9 HA SER 9 3.414 -4.018 -15.624 213 HB2 SER 9 1HB SER 9 2.488 -5.991 -17.502 214 HB3 SER 9 2HB SER 9 3.985 -5.039 -17.530 215 HG SER 9 HG SER 9 4.533 -7.217 -17.426 216 H HIS 10 H HIS 10 1.203 -6.658 -14.684 217 HA HIS 10 HA HIS 10 -1.154 -5.503 -15.823 218 HB2 HIS 10 1HB HIS 10 -0.730 -7.840 -14.788 219 HB3 HIS 10 2HB HIS 10 -1.233 -7.052 -13.278 220 HD1 HIS 10 HD1 HIS 10 -3.317 -8.939 -13.679 221 HD2 HIS 10 HD2 HIS 10 -3.176 -5.543 -16.133 222 HE1 HIS 10 HE1 HIS 10 -5.626 -8.645 -14.685 223 HE2 HIS 10 HE2 HIS 10 -5.522 -6.626 -16.177 224 H LEU 11 H LEU 11 0.552 -5.030 -12.695 225 HA LEU 11 HA LEU 11 -1.435 -3.223 -11.586 226 HB2 LEU 11 1HB LEU 11 1.008 -4.316 -10.775 227 HB3 LEU 11 2HB LEU 11 1.312 -2.596 -10.860 228 HG LEU 11 HG LEU 11 -0.852 -3.919 -9.205 229 HD11 LEU 11 1HD1 LEU 11 1.718 -2.532 -8.319 230 HD12 LEU 11 2HD1 LEU 11 1.504 -4.299 -8.417 231 HD13 LEU 11 3HD1 LEU 11 0.524 -3.357 -7.284 232 HD21 LEU 11 3HD2 LEU 11 -1.551 -1.684 -9.924 233 HD22 LEU 11 1HD2 LEU 11 -0.006 -1.003 -9.367 234 HD23 LEU 11 2HD2 LEU 11 -1.155 -1.695 -8.195 235 H VAL 12 H VAL 12 1.542 -2.761 -13.559 236 HA VAL 12 HA VAL 12 1.413 0.097 -13.558 237 HB VAL 12 HB VAL 12 2.500 -1.761 -15.730 238 HG11 VAL 12 1HG1 VAL 12 3.010 1.206 -15.213 239 HG12 VAL 12 2HG1 VAL 12 3.904 0.199 -16.382 240 HG13 VAL 12 3HG1 VAL 12 2.172 0.497 -16.628 241 HG21 VAL 12 3HG2 VAL 12 3.597 -2.177 -13.575 242 HG22 VAL 12 1HG2 VAL 12 4.722 -1.320 -14.654 243 HG23 VAL 12 2HG2 VAL 12 3.877 -0.448 -13.352 244 H GLU 13 H GLU 13 -0.029 -2.314 -15.770 245 HA GLU 13 HA GLU 13 -1.234 -0.473 -17.605 246 HB2 GLU 13 1HB GLU 13 -1.949 -3.265 -16.651 247 HB3 GLU 13 2HB GLU 13 -2.966 -2.414 -17.815 248 HG2 GLU 13 1HG GLU 13 -1.259 -2.350 -19.436 249 HG3 GLU 13 2HG GLU 13 -0.018 -2.864 -18.273 250 HE2 GLU 13 HE2 GLU 13 -2.141 -5.473 -20.219 251 H ALA 14 H ALA 14 -2.458 -1.889 -14.533 252 HA ALA 14 HA ALA 14 -5.051 -0.670 -14.732 253 HB1 ALA 14 3HB ALA 14 -5.151 -1.100 -12.306 254 HB2 ALA 14 1HB ALA 14 -4.542 -2.505 -13.206 255 HB3 ALA 14 2HB ALA 14 -3.416 -1.464 -12.308 256 H LEU 15 H LEU 15 -2.019 0.454 -13.159 257 HA LEU 15 HA LEU 15 -3.149 2.862 -12.103 258 HB2 LEU 15 1HB LEU 15 -0.504 1.670 -12.497 259 HB3 LEU 15 2HB LEU 15 -0.483 3.394 -12.733 260 HG LEU 15 HG LEU 15 -1.446 2.006 -10.227 261 HD11 LEU 15 1HD1 LEU 15 1.063 3.625 -10.828 262 HD12 LEU 15 2HD1 LEU 15 0.990 1.861 -10.600 263 HD13 LEU 15 3HD1 LEU 15 0.609 2.947 -9.250 264 HD21 LEU 15 3HD2 LEU 15 -1.413 4.330 -9.258 265 HD22 LEU 15 1HD2 LEU 15 -2.633 4.147 -10.521 266 HD23 LEU 15 2HD2 LEU 15 -1.106 4.992 -10.884 267 H TYR 16 H TYR 16 -1.663 2.078 -15.247 268 HA TYR 16 HA TYR 16 -1.700 4.767 -16.252 269 HB2 TYR 16 1HB TYR 16 -0.345 3.112 -17.325 270 HB3 TYR 16 2HB TYR 16 -1.738 2.031 -17.559 271 HD1 TYR 16 HD1 TYR 16 -0.353 5.367 -18.595 272 HD2 TYR 16 HD2 TYR 16 -3.111 2.180 -19.493 273 HE1 TYR 16 HE1 TYR 16 -0.829 6.389 -20.823 274 HE2 TYR 16 HE2 TYR 16 -3.567 3.210 -21.718 275 HH TYR 16 HH TYR 16 -1.961 6.204 -22.800 276 H LEU 17 H LEU 17 -4.147 2.098 -16.317 277 HA LEU 17 HA LEU 17 -5.893 3.511 -18.114 278 HB2 LEU 17 1HB LEU 17 -6.297 1.258 -16.128 279 HB3 LEU 17 2HB LEU 17 -7.619 1.887 -17.121 280 HG LEU 17 HG LEU 17 -5.030 0.908 -18.338 281 HD11 LEU 17 1HD1 LEU 17 -7.531 -0.707 -17.831 282 HD12 LEU 17 2HD1 LEU 17 -5.959 -0.922 -17.014 283 HD13 LEU 17 3HD1 LEU 17 -6.113 -1.245 -18.758 284 HD21 LEU 17 3HD2 LEU 17 -7.813 1.314 -19.466 285 HD22 LEU 17 1HD2 LEU 17 -6.464 0.567 -20.344 286 HD23 LEU 17 2HD2 LEU 17 -6.358 2.265 -19.841 287 H VAL 18 H VAL 18 -5.695 3.341 -14.540 288 HA VAL 18 HA VAL 18 -8.064 5.009 -14.311 289 HB VAL 18 HB VAL 18 -7.565 3.295 -12.624 290 HG11 VAL 18 1HG1 VAL 18 -5.048 3.693 -12.708 291 HG12 VAL 18 2HG1 VAL 18 -5.322 5.027 -11.577 292 HG13 VAL 18 3HG1 VAL 18 -5.769 3.359 -11.145 293 HG21 VAL 18 3HG2 VAL 18 -7.964 4.626 -10.611 294 HG22 VAL 18 1HG2 VAL 18 -7.481 6.107 -11.455 295 HG23 VAL 18 2HG2 VAL 18 -8.942 5.223 -11.968 296 H CYS 19 H CYS 19 -4.580 5.646 -14.233 297 HA CYS 19 HA CYS 19 -5.288 8.551 -13.764 298 HB2 CYS 19 1HB CYS 19 -4.109 7.275 -11.914 299 HB3 CYS 19 2HB CYS 19 -2.717 7.165 -12.977 300 H GLY 20 H GLY 20 -3.131 6.342 -15.542 301 HA2 GLY 20 1HA GLY 20 -1.468 8.408 -16.599 302 HA3 GLY 20 2HA GLY 20 -1.670 6.776 -17.288 303 H GLU 21 H GLU 21 -4.555 7.043 -17.709 304 HA GLU 21 HA GLU 21 -4.537 8.604 -20.187 305 HB2 GLU 21 1HB GLU 21 -6.710 7.047 -18.754 306 HB3 GLU 21 2HB GLU 21 -6.888 7.767 -20.354 307 HG2 GLU 21 1HG GLU 21 -5.019 6.358 -21.183 308 HG3 GLU 21 2HG GLU 21 -4.916 5.587 -19.599 309 HE2 GLU 21 HE2 GLU 21 -6.957 3.658 -21.870 310 H ARG 22 H ARG 22 -4.483 9.809 -17.281 311 HA ARG 22 HA ARG 22 -6.673 11.817 -17.715 312 HB2 ARG 22 1HB ARG 22 -6.062 10.073 -15.515 313 HB3 ARG 22 2HB ARG 22 -5.830 11.737 -14.995 314 HG2 ARG 22 1HG ARG 22 -8.054 12.260 -15.248 315 HG3 ARG 22 2HG ARG 22 -8.325 10.952 -16.435 316 HD2 ARG 22 1HD ARG 22 -8.113 9.274 -14.800 317 HD3 ARG 22 2HD ARG 22 -7.479 10.419 -13.606 318 HE ARG 22 HE ARG 22 -9.959 11.411 -14.185 319 HH11 ARG 22 1HH1 ARG 22 -8.845 8.247 -13.109 320 HH12 ARG 22 2HH1 ARG 22 -10.319 7.939 -12.201 321 HH21 ARG 22 1HH2 ARG 22 -11.796 10.960 -13.023 322 HH22 ARG 22 2HH2 ARG 22 -11.968 9.441 -12.169 323 H GLY 23 H GLY 23 -3.351 11.153 -16.829 324 HA2 GLY 23 1HA GLY 23 -2.780 14.077 -16.946 325 HA3 GLY 23 2HA GLY 23 -2.122 13.073 -15.640 326 H GLY 24 H GLY 24 -0.031 12.894 -15.994 327 HA2 GLY 24 1HA GLY 24 0.930 12.409 -18.768 328 HA3 GLY 24 2HA GLY 24 1.875 13.150 -17.474 329 H PHE 25 H PHE 25 0.863 11.021 -15.581 330 HA PHE 25 HA PHE 25 1.595 9.067 -14.697 331 HB2 PHE 25 1HB PHE 25 0.602 8.277 -16.971 332 HB3 PHE 25 2HB PHE 25 2.278 8.031 -17.445 333 HD1 PHE 25 HD1 PHE 25 0.453 7.379 -14.186 334 HD2 PHE 25 HD2 PHE 25 2.704 5.753 -17.496 335 HE1 PHE 25 HE1 PHE 25 0.461 5.171 -13.085 336 HE2 PHE 25 HE2 PHE 25 2.709 3.517 -16.381 337 HZ PHE 25 HZ PHE 25 1.585 3.225 -14.155 338 H TYR 26 H TYR 26 3.635 7.390 -14.864 339 HA TYR 26 HA TYR 26 6.052 9.138 -15.049 340 HB2 TYR 26 1HB TYR 26 6.860 8.184 -12.986 341 HB3 TYR 26 2HB TYR 26 5.226 8.817 -12.703 342 HD1 TYR 26 HD1 TYR 26 3.298 7.194 -12.456 343 HD2 TYR 26 HD2 TYR 26 7.358 5.817 -12.845 344 HE1 TYR 26 HE1 TYR 26 2.612 4.917 -11.723 345 HE2 TYR 26 HE2 TYR 26 6.659 3.563 -12.071 346 HH TYR 26 HH TYR 26 4.958 2.252 -11.336 347 H NVA 27 H ARX 27 4.543 6.527 -16.213 348 HA NVA 27 HA ARX 27 5.079 4.402 -16.932 349 HB2 NVA 27 1HB ARX 27 5.182 6.399 -18.738 350 HB3 NVA 27 2HB ARX 27 6.785 5.721 -18.987 351 HG2 NVA 27 1HG ARX 27 5.322 3.367 -18.959 352 HG3 NVA 27 2HG ARX 27 4.046 4.474 -19.455 353 HD2 NVA 27 1HD ARX 27 4.950 3.626 -21.453 354 HD3 NVA 27 2HD ARX 27 5.657 5.253 -21.355 355 HA PRO 28 HA PRO 28 9.205 3.047 -15.406 356 HB2 PRO 28 1HB PRO 28 8.440 0.725 -14.249 357 HB3 PRO 28 2HB PRO 28 8.096 2.299 -13.474 358 HG2 PRO 28 1HG PRO 28 6.285 0.567 -15.161 359 HG3 PRO 28 2HG PRO 28 5.945 1.344 -13.592 360 HD2 PRO 28 1HD PRO 28 5.182 2.410 -16.019 361 HD3 PRO 28 2HD PRO 28 5.549 3.401 -14.577 362 H HIX 29 H HIX 29 9.527 2.984 -17.783 363 HA HIX 29 HA HIX 29 8.899 0.689 -19.398 364 HB1 HIX 29 1HB HIX 29 10.778 3.048 -19.768 365 HB2 HIX 29 2HB HIX 29 10.760 1.705 -20.924 366 HD2 HIX 29 HD2 HIX 29 7.647 3.500 -19.114 367 HD1 HIX 29 HD1 HIX 29 9.096 2.464 -22.932 368 H THR 30 H THR 30 9.791 -1.105 -19.873 369 HA THR 30 HA THR 30 12.563 -1.809 -19.140 370 HB THR 30 HB THR 30 11.810 -3.968 -18.050 371 HG1 THR 30 HG1 THR 30 9.302 -2.586 -17.984 372 HG21 THR 30 1HG2 THR 30 12.515 -2.003 -16.609 373 HG22 THR 30 2HG2 THR 30 11.332 -3.073 -15.816 374 HG23 THR 30 3HG2 THR 30 10.803 -1.522 -16.504 375 HXT THR 30 H02 THR 30 12.386 -3.859 -21.751 Start of MODEL 13 1 H1 GLY 1 2H0 GLY 1 1.720 -0.246 1.215 2 H2 GLY 1 1H0 GLY 1 2.872 0.909 1.330 3 HA2 GLY 1 1HA GLY 1 3.348 0.790 -1.037 4 HA3 GLY 1 2HA GLY 1 3.565 -0.787 -0.235 5 H ILE 2 H ILE 2 2.642 0.518 -2.983 6 HA ILE 2 HA ILE 2 0.068 -0.431 -3.599 7 HB ILE 2 HB ILE 2 1.422 1.156 -4.986 8 HG12 ILE 2 1HG1 ILE 2 0.867 0.157 -7.245 9 HG13 ILE 2 2HG1 ILE 2 0.359 -1.298 -6.408 10 HG21 ILE 2 1HG2 ILE 2 2.947 -1.315 -5.973 11 HG22 ILE 2 2HG2 ILE 2 3.166 0.359 -6.530 12 HG23 ILE 2 3HG2 ILE 2 3.613 -0.099 -4.869 13 HD11 ILE 2 3HD1 ILE 2 -1.359 0.044 -5.203 14 HD12 ILE 2 1HD1 ILE 2 -0.843 1.453 -6.152 15 HD13 ILE 2 2HD1 ILE 2 -1.563 0.058 -6.961 16 H VAL 3 H VAL 3 3.114 -2.226 -3.521 17 HA VAL 3 HA VAL 3 2.155 -4.521 -4.956 18 HB VAL 3 HB VAL 3 4.359 -4.210 -2.865 19 HG11 VAL 3 1HG1 VAL 3 5.271 -6.348 -3.779 20 HG12 VAL 3 2HG1 VAL 3 3.703 -6.582 -2.980 21 HG13 VAL 3 3HG1 VAL 3 3.798 -6.542 -4.759 22 HG21 VAL 3 3HG2 VAL 3 5.871 -4.254 -4.859 23 HG22 VAL 3 1HG2 VAL 3 4.446 -4.286 -5.922 24 HG23 VAL 3 2HG2 VAL 3 4.766 -2.866 -4.892 25 H GLU 4 H GLU 4 2.203 -3.656 -1.462 26 HA GLU 4 HA GLU 4 1.070 -6.175 -0.624 27 HB2 GLU 4 1HB GLU 4 1.178 -3.438 0.686 28 HB3 GLU 4 2HB GLU 4 0.643 -4.916 1.500 29 HG2 GLU 4 1HG GLU 4 2.841 -5.923 1.268 30 HG3 GLU 4 2HG GLU 4 3.409 -4.564 0.283 31 HE2 GLU 4 HE2 GLU 4 3.789 -4.412 4.082 32 H GLN 5 H GLN 5 -0.175 -3.013 -1.525 33 HA GLN 5 HA GLN 5 -2.864 -3.408 -0.679 34 HB2 GLN 5 1HB GLN 5 -1.641 -1.237 -1.298 35 HB3 GLN 5 2HB GLN 5 -1.959 -1.649 -2.983 36 HG2 GLN 5 1HG GLN 5 -3.682 -0.167 -2.389 37 HG3 GLN 5 2HG GLN 5 -4.454 -1.753 -2.284 38 HE21 GLN 5 2HE2 GLN 5 -3.619 1.134 -0.642 39 HE22 GLN 5 1HE2 GLN 5 -4.192 0.658 0.943 40 H CYS 6 H CYS 6 -1.296 -3.982 -3.861 41 HA CYS 6 HA CYS 6 -3.918 -4.988 -4.862 42 HB2 CYS 6 1HB CYS 6 -1.451 -3.981 -6.280 43 HB3 CYS 6 2HB CYS 6 -2.855 -4.663 -7.102 44 H CYS 7 H CYS 7 -0.492 -6.023 -4.580 45 HA CYS 7 HA CYS 7 -1.105 -8.370 -6.252 46 HB2 CYS 7 1HB CYS 7 1.169 -7.124 -6.007 47 HB3 CYS 7 2HB CYS 7 1.349 -8.036 -4.510 48 H THR 8 H THR 8 -0.269 -7.647 -2.845 49 HA THR 8 HA THR 8 -0.911 -10.303 -1.936 50 HB THR 8 HB THR 8 -0.608 -7.688 -0.383 51 HG1 THR 8 HG1 THR 8 1.310 -9.730 -0.827 52 HG21 THR 8 1HG2 THR 8 -1.648 -9.409 1.025 53 HG22 THR 8 2HG2 THR 8 0.052 -9.214 1.489 54 HG23 THR 8 3HG2 THR 8 -0.439 -10.606 0.497 55 H SER 9 H SER 9 -2.736 -7.173 -1.643 56 HA SER 9 HA SER 9 -5.124 -8.835 -0.949 57 HB2 SER 9 1HB SER 9 -6.006 -6.813 0.160 58 HB3 SER 9 2HB SER 9 -4.500 -7.414 0.868 59 HG SER 9 HG SER 9 -4.618 -5.306 -1.055 60 H ILE 10 H ILE 10 -7.188 -7.217 -1.363 61 HA ILE 10 HA ILE 10 -7.225 -6.952 -4.322 62 HB ILE 10 HB ILE 10 -9.421 -6.782 -2.183 63 HG12 ILE 10 1HG1 ILE 10 -8.529 -9.074 -2.580 64 HG13 ILE 10 2HG1 ILE 10 -10.237 -8.894 -2.991 65 HG21 ILE 10 1HG2 ILE 10 -11.015 -6.859 -4.200 66 HG22 ILE 10 2HG2 ILE 10 -10.138 -5.327 -3.974 67 HG23 ILE 10 3HG2 ILE 10 -9.608 -6.472 -5.226 68 HD11 ILE 10 3HD1 ILE 10 -9.040 -10.274 -4.621 69 HD12 ILE 10 1HD1 ILE 10 -9.699 -8.816 -5.382 70 HD13 ILE 10 2HD1 ILE 10 -7.957 -8.917 -4.996 71 H CYS 11 H CYS 11 -7.203 -4.957 -5.284 72 HA CYS 11 HA CYS 11 -7.715 -2.584 -3.532 73 HB2 CYS 11 1HB CYS 11 -5.971 -1.370 -4.685 74 HB3 CYS 11 2HB CYS 11 -5.307 -2.847 -3.984 75 H SER 12 H SER 12 -8.294 -0.662 -4.842 76 HA SER 12 HA SER 12 -9.920 -1.412 -7.253 77 HB2 SER 12 1HB SER 12 -10.742 0.397 -4.929 78 HB3 SER 12 2HB SER 12 -11.703 0.053 -6.387 79 HG SER 12 HG SER 12 -10.879 -1.793 -4.377 80 H LEU 13 H LEU 13 -10.475 0.576 -8.523 81 HA LEU 13 HA LEU 13 -8.213 2.078 -9.176 82 HB2 LEU 13 1HB LEU 13 -9.630 3.364 -10.588 83 HB3 LEU 13 2HB LEU 13 -10.138 1.693 -10.642 84 HG LEU 13 HG LEU 13 -11.756 2.932 -8.683 85 HD11 LEU 13 1HD1 LEU 13 -11.067 5.119 -9.620 86 HD12 LEU 13 2HD1 LEU 13 -12.784 4.774 -9.905 87 HD13 LEU 13 3HD1 LEU 13 -11.614 4.581 -11.229 88 HD21 LEU 13 3HD2 LEU 13 -12.328 1.091 -10.154 89 HD22 LEU 13 1HD2 LEU 13 -12.325 2.199 -11.552 90 HD23 LEU 13 2HD2 LEU 13 -13.528 2.403 -10.246 91 H TYR 14 H TYR 14 -10.768 2.807 -6.860 92 HA TYR 14 HA TYR 14 -10.251 5.556 -6.432 93 HB2 TYR 14 1HB TYR 14 -12.198 4.217 -5.567 94 HB3 TYR 14 2HB TYR 14 -11.106 3.450 -4.410 95 HD1 TYR 14 HD1 TYR 14 -12.734 6.648 -5.382 96 HD2 TYR 14 HD2 TYR 14 -10.387 4.609 -2.390 97 HE1 TYR 14 HE1 TYR 14 -13.108 8.539 -3.764 98 HE2 TYR 14 HE2 TYR 14 -10.772 6.492 -0.804 99 HH TYR 14 HH TYR 14 -11.733 8.545 -0.472 100 H GLN 15 H GLN 15 -8.826 2.647 -4.860 101 HA GLN 15 HA GLN 15 -7.098 4.212 -3.160 102 HB2 GLN 15 1HB GLN 15 -7.574 1.366 -3.770 103 HB3 GLN 15 2HB GLN 15 -5.874 1.744 -3.502 104 HG2 GLN 15 1HG GLN 15 -8.121 2.402 -1.580 105 HG3 GLN 15 2HG GLN 15 -7.012 1.033 -1.423 106 HE21 GLN 15 2HE2 GLN 15 -7.546 3.482 0.283 107 HE22 GLN 15 1HE2 GLN 15 -5.964 4.181 0.528 108 H LEU 16 H LEU 16 -6.791 2.635 -6.348 109 HA LEU 16 HA LEU 16 -4.032 2.958 -6.684 110 HB2 LEU 16 1HB LEU 16 -6.302 2.446 -8.383 111 HB3 LEU 16 2HB LEU 16 -5.012 3.363 -9.214 112 HG LEU 16 HG LEU 16 -3.399 1.601 -8.336 113 HD11 LEU 16 1HD1 LEU 16 -5.989 0.176 -7.695 114 HD12 LEU 16 2HD1 LEU 16 -4.677 0.608 -6.565 115 HD13 LEU 16 3HD1 LEU 16 -4.409 -0.612 -7.820 116 HD21 LEU 16 3HD2 LEU 16 -4.221 1.684 -10.626 117 HD22 LEU 16 1HD2 LEU 16 -5.613 0.676 -10.179 118 HD23 LEU 16 2HD2 LEU 16 -3.963 0.017 -10.088 119 H GLU 17 H GLU 17 -6.600 5.322 -7.254 120 HA GLU 17 HA GLU 17 -5.047 7.264 -8.599 121 HB2 GLU 17 1HB GLU 17 -7.371 7.530 -6.679 122 HB3 GLU 17 2HB GLU 17 -6.644 8.921 -7.508 123 HG2 GLU 17 1HG GLU 17 -7.117 7.891 -9.688 124 HG3 GLU 17 2HG GLU 17 -7.862 6.505 -8.895 125 HE2 GLU 17 HE2 GLU 17 -8.873 8.216 -6.919 126 H ASN 18 H ASN 18 -5.095 6.444 -5.135 127 HA ASN 18 HA ASN 18 -3.835 8.898 -4.282 128 HB2 ASN 18 1HB ASN 18 -3.839 6.142 -2.993 129 HB3 ASN 18 2HB ASN 18 -3.343 7.641 -2.205 130 HD21 ASN 18 2HD2 ASN 18 -5.601 5.592 -1.882 131 HD22 ASN 18 1HD2 ASN 18 -7.030 6.593 -1.754 132 H TYR 19 H TYR 19 -2.635 6.110 -5.938 133 HA TYR 19 HA TYR 19 0.130 6.524 -4.968 134 HB2 TYR 19 1HB TYR 19 -1.126 4.565 -6.932 135 HB3 TYR 19 2HB TYR 19 0.593 4.579 -6.476 136 HD1 TYR 19 HD1 TYR 19 1.222 4.089 -4.049 137 HD2 TYR 19 HD2 TYR 19 -2.741 3.552 -5.566 138 HE1 TYR 19 HE1 TYR 19 0.675 2.632 -2.097 139 HE2 TYR 19 HE2 TYR 19 -3.311 2.098 -3.636 140 HH TYR 19 HH TYR 19 -0.912 1.437 -1.023 141 H CYS 20 H CYS 20 -1.890 7.904 -7.303 142 HA CYS 20 HA CYS 20 0.009 7.942 -9.488 143 HB2 CYS 20 1HB CYS 20 -2.445 9.635 -8.964 144 HB3 CYS 20 2HB CYS 20 -1.577 9.477 -10.508 145 H ASN 21 H ASN 21 -0.469 9.791 -6.638 146 HA ASN 21 HA ASN 21 0.538 11.645 -5.726 147 HB2 ASN 21 1HB ASN 21 2.336 9.899 -5.699 148 HB3 ASN 21 2HB ASN 21 2.942 10.506 -7.241 149 HD21 ASN 21 2HD2 ASN 21 4.859 11.360 -6.677 150 HD22 ASN 21 1HD2 ASN 21 5.053 12.620 -5.489 151 HXT ASN 21 H02 ASN 21 1.846 13.605 -8.780 152 H1 PHE 1 2H0 PHE 1 -12.044 -0.550 -16.316 153 H2 PHE 1 1H0 PHE 1 -13.160 -1.744 -16.024 154 HA PHE 1 HA PHE 1 -11.071 -1.973 -14.650 155 HB2 PHE 1 1HB PHE 1 -11.033 0.620 -14.471 156 HB3 PHE 1 2HB PHE 1 -12.233 0.443 -13.207 157 HD1 PHE 1 HD2 PHE 1 -11.560 -1.194 -11.207 158 HD2 PHE 1 HD1 PHE 1 -8.746 0.620 -13.923 159 HE1 PHE 1 HE2 PHE 1 -9.744 -1.598 -9.586 160 HE2 PHE 1 HE1 PHE 1 -6.944 0.256 -12.274 161 HZ PHE 1 HZ PHE 1 -7.429 -0.868 -10.104 162 H VAL 2 H VAL 2 -11.216 -3.454 -13.134 163 HA VAL 2 HA VAL 2 -13.552 -3.390 -11.308 164 HB VAL 2 HB VAL 2 -14.067 -5.040 -13.137 165 HG11 VAL 2 1HG1 VAL 2 -12.822 -7.144 -13.292 166 HG12 VAL 2 2HG1 VAL 2 -11.754 -5.768 -13.640 167 HG13 VAL 2 3HG1 VAL 2 -11.671 -6.583 -12.056 168 HG21 VAL 2 3HG2 VAL 2 -14.972 -5.303 -10.829 169 HG22 VAL 2 1HG2 VAL 2 -14.776 -6.841 -11.682 170 HG23 VAL 2 2HG2 VAL 2 -13.604 -6.376 -10.433 171 H ASN 3 H ASN 3 -13.112 -4.217 -9.253 172 HA ASN 3 HA ASN 3 -10.325 -3.961 -8.447 173 HB2 ASN 3 1HB ASN 3 -11.242 -4.315 -6.192 174 HB3 ASN 3 2HB ASN 3 -12.107 -3.040 -7.065 175 HD21 ASN 3 2HD2 ASN 3 -12.446 -5.780 -5.230 176 HD22 ASN 3 1HD2 ASN 3 -14.096 -6.143 -5.629 177 H GLN 4 H GLN 4 -8.873 -5.500 -8.158 178 HA GLN 4 HA GLN 4 -9.527 -8.321 -7.684 179 HB2 GLN 4 1HB GLN 4 -8.602 -9.121 -9.820 180 HB3 GLN 4 2HB GLN 4 -10.011 -8.105 -10.118 181 HG2 GLN 4 1HG GLN 4 -8.436 -6.174 -10.565 182 HG3 GLN 4 2HG GLN 4 -7.111 -7.333 -10.484 183 HE21 GLN 4 2HE2 GLN 4 -9.212 -5.740 -12.473 184 HE22 GLN 4 1HE2 GLN 4 -9.104 -6.775 -13.879 185 H HIS 5 H HIS 5 -7.276 -9.538 -8.021 186 HA HIS 5 HA HIS 5 -5.205 -7.940 -6.677 187 HB2 HIS 5 1HB HIS 5 -5.217 -10.770 -7.811 188 HB3 HIS 5 2HB HIS 5 -3.816 -10.023 -7.028 189 HD1 HIS 5 HD1 HIS 5 -4.045 -9.450 -4.418 190 HD2 HIS 5 HD2 HIS 5 -7.136 -11.775 -6.062 191 HE1 HIS 5 HE1 HIS 5 -5.326 -10.467 -2.467 192 HE2 HIS 5 HE2 HIS 5 -7.152 -11.904 -3.468 193 H LEU 6 H LEU 6 -3.472 -7.016 -7.644 194 HA LEU 6 HA LEU 6 -3.023 -7.507 -10.560 195 HB2 LEU 6 1HB LEU 6 -3.435 -4.850 -9.167 196 HB3 LEU 6 2HB LEU 6 -2.644 -4.991 -10.733 197 HG LEU 6 HG LEU 6 -5.400 -6.093 -10.307 198 HD11 LEU 6 1HD1 LEU 6 -4.625 -3.245 -10.927 199 HD12 LEU 6 2HD1 LEU 6 -5.586 -3.836 -9.555 200 HD13 LEU 6 3HD1 LEU 6 -6.257 -3.903 -11.198 201 HD21 LEU 6 3HD2 LEU 6 -3.906 -5.065 -12.746 202 HD22 LEU 6 1HD2 LEU 6 -5.589 -5.631 -12.747 203 HD23 LEU 6 2HD2 LEU 6 -4.284 -6.764 -12.368 204 H CYS 7 H CYS 7 -0.889 -7.469 -11.111 205 HA CYS 7 HA CYS 7 1.089 -6.483 -9.147 206 HB2 CYS 7 1HB CYS 7 0.315 -9.068 -8.938 207 HB3 CYS 7 2HB CYS 7 1.571 -9.252 -10.166 208 H GLY 8 H GLY 8 3.327 -6.594 -10.110 209 HA2 GLY 8 1HA GLY 8 4.760 -6.055 -11.827 210 HA3 GLY 8 2HA GLY 8 3.940 -7.362 -12.681 211 H SER 9 H SER 9 4.012 -6.597 -14.703 212 HA SER 9 HA SER 9 3.544 -3.906 -15.502 213 HB2 SER 9 1HB SER 9 3.084 -4.998 -17.744 214 HB3 SER 9 2HB SER 9 4.632 -5.442 -16.998 215 HG SER 9 HG SER 9 3.376 -7.237 -17.829 216 H HIS 10 H HIS 10 1.283 -6.613 -14.866 217 HA HIS 10 HA HIS 10 -0.977 -5.358 -16.046 218 HB2 HIS 10 1HB HIS 10 -0.431 -7.770 -14.765 219 HB3 HIS 10 2HB HIS 10 -1.566 -6.977 -13.668 220 HD1 HIS 10 HD1 HIS 10 -2.421 -9.540 -15.265 221 HD2 HIS 10 HD2 HIS 10 -3.035 -5.611 -16.555 222 HE1 HIS 10 HE1 HIS 10 -4.345 -9.620 -16.927 223 HE2 HIS 10 HE2 HIS 10 -4.708 -7.225 -17.707 224 H LEU 11 H LEU 11 0.499 -5.104 -12.810 225 HA LEU 11 HA LEU 11 -1.566 -3.398 -11.712 226 HB2 LEU 11 1HB LEU 11 0.734 -4.550 -10.757 227 HB3 LEU 11 2HB LEU 11 1.227 -2.875 -10.880 228 HG LEU 11 HG LEU 11 -1.077 -3.969 -9.254 229 HD11 LEU 11 1HD1 LEU 11 1.176 -4.448 -8.385 230 HD12 LEU 11 2HD1 LEU 11 0.321 -3.310 -7.341 231 HD13 LEU 11 3HD1 LEU 11 1.581 -2.721 -8.453 232 HD21 LEU 11 3HD2 LEU 11 -1.683 -1.735 -10.044 233 HD22 LEU 11 1HD2 LEU 11 -0.120 -1.101 -9.498 234 HD23 LEU 11 2HD2 LEU 11 -1.295 -1.710 -8.322 235 H VAL 12 H VAL 12 1.536 -2.767 -13.422 236 HA VAL 12 HA VAL 12 1.381 0.086 -13.312 237 HB VAL 12 HB VAL 12 2.624 -1.677 -15.481 238 HG11 VAL 12 1HG1 VAL 12 3.211 1.231 -14.795 239 HG12 VAL 12 2HG1 VAL 12 4.016 0.250 -16.042 240 HG13 VAL 12 3HG1 VAL 12 2.309 0.685 -16.227 241 HG21 VAL 12 3HG2 VAL 12 3.576 -2.144 -13.255 242 HG22 VAL 12 1HG2 VAL 12 4.753 -1.278 -14.257 243 HG23 VAL 12 2HG2 VAL 12 3.854 -0.408 -12.992 244 H GLU 13 H GLU 13 0.069 -2.242 -15.698 245 HA GLU 13 HA GLU 13 -1.019 -0.311 -17.497 246 HB2 GLU 13 1HB GLU 13 -1.714 -3.165 -16.795 247 HB3 GLU 13 2HB GLU 13 -2.701 -2.253 -17.937 248 HG2 GLU 13 1HG GLU 13 -0.937 -2.033 -19.469 249 HG3 GLU 13 2HG GLU 13 0.279 -2.550 -18.284 250 HE2 GLU 13 HE2 GLU 13 -1.748 -5.160 -20.355 251 H ALA 14 H ALA 14 -2.485 -1.907 -14.604 252 HA ALA 14 HA ALA 14 -5.044 -0.668 -14.933 253 HB1 ALA 14 3HB ALA 14 -4.599 -2.580 -13.437 254 HB2 ALA 14 1HB ALA 14 -3.640 -1.512 -12.380 255 HB3 ALA 14 2HB ALA 14 -5.385 -1.224 -12.593 256 H LEU 15 H LEU 15 -2.123 0.391 -13.192 257 HA LEU 15 HA LEU 15 -3.252 2.795 -12.142 258 HB2 LEU 15 1HB LEU 15 -0.577 1.619 -12.519 259 HB3 LEU 15 2HB LEU 15 -0.605 3.375 -12.586 260 HG LEU 15 HG LEU 15 -1.828 1.826 -10.296 261 HD11 LEU 15 1HD1 LEU 15 0.958 3.011 -10.520 262 HD12 LEU 15 2HD1 LEU 15 0.552 1.287 -10.430 263 HD13 LEU 15 3HD1 LEU 15 0.228 2.344 -9.047 264 HD21 LEU 15 3HD2 LEU 15 -0.922 4.730 -10.581 265 HD22 LEU 15 1HD2 LEU 15 -1.600 3.986 -9.115 266 HD23 LEU 15 2HD2 LEU 15 -2.608 4.162 -10.552 267 H TYR 16 H TYR 16 -1.657 2.067 -15.269 268 HA TYR 16 HA TYR 16 -1.687 4.772 -16.209 269 HB2 TYR 16 1HB TYR 16 -0.343 3.108 -17.305 270 HB3 TYR 16 2HB TYR 16 -1.753 2.118 -17.684 271 HD1 TYR 16 HD1 TYR 16 -0.167 5.449 -18.374 272 HD2 TYR 16 HD2 TYR 16 -3.048 2.512 -19.649 273 HE1 TYR 16 HE1 TYR 16 -0.508 6.689 -20.517 274 HE2 TYR 16 HE2 TYR 16 -3.365 3.766 -21.797 275 HH TYR 16 HH TYR 16 -1.622 6.785 -22.511 276 H LEU 17 H LEU 17 -4.141 2.129 -16.376 277 HA LEU 17 HA LEU 17 -5.835 3.610 -18.163 278 HB2 LEU 17 1HB LEU 17 -6.399 1.318 -16.255 279 HB3 LEU 17 2HB LEU 17 -7.574 1.925 -17.419 280 HG LEU 17 HG LEU 17 -4.857 0.927 -18.295 281 HD11 LEU 17 1HD1 LEU 17 -7.397 -0.719 -18.045 282 HD12 LEU 17 2HD1 LEU 17 -5.957 -0.872 -17.012 283 HD13 LEU 17 3HD1 LEU 17 -5.848 -1.254 -18.737 284 HD21 LEU 17 3HD2 LEU 17 -6.012 0.530 -20.429 285 HD22 LEU 17 1HD2 LEU 17 -6.078 2.237 -19.949 286 HD23 LEU 17 2HD2 LEU 17 -7.509 1.204 -19.742 287 H VAL 18 H VAL 18 -5.687 3.365 -14.582 288 HA VAL 18 HA VAL 18 -8.050 5.037 -14.385 289 HB VAL 18 HB VAL 18 -7.610 3.376 -12.649 290 HG11 VAL 18 1HG1 VAL 18 -5.247 5.025 -11.756 291 HG12 VAL 18 2HG1 VAL 18 -5.853 3.482 -11.100 292 HG13 VAL 18 3HG1 VAL 18 -5.151 3.531 -12.707 293 HG21 VAL 18 3HG2 VAL 18 -7.433 6.212 -11.557 294 HG22 VAL 18 1HG2 VAL 18 -8.924 5.338 -11.992 295 HG23 VAL 18 2HG2 VAL 18 -7.925 4.783 -10.629 296 H CYS 19 H CYS 19 -4.556 5.684 -14.231 297 HA CYS 19 HA CYS 19 -5.223 8.568 -13.775 298 HB2 CYS 19 1HB CYS 19 -3.051 6.762 -12.828 299 HB3 CYS 19 2HB CYS 19 -2.715 8.463 -13.035 300 H GLY 20 H GLY 20 -3.033 6.430 -15.663 301 HA2 GLY 20 1HA GLY 20 -1.519 8.609 -16.751 302 HA3 GLY 20 2HA GLY 20 -1.638 6.977 -17.430 303 H GLU 21 H GLU 21 -4.552 7.087 -17.694 304 HA GLU 21 HA GLU 21 -4.705 8.640 -20.199 305 HB2 GLU 21 1HB GLU 21 -6.721 6.852 -18.789 306 HB3 GLU 21 2HB GLU 21 -6.956 7.602 -20.381 307 HG2 GLU 21 1HG GLU 21 -4.901 6.404 -21.170 308 HG3 GLU 21 2HG GLU 21 -4.857 5.541 -19.621 309 HE2 GLU 21 HE2 GLU 21 -6.880 4.065 -22.435 310 H ARG 22 H ARG 22 -4.996 9.500 -17.049 311 HA ARG 22 HA ARG 22 -7.288 11.372 -17.459 312 HB2 ARG 22 1HB ARG 22 -7.222 9.659 -15.603 313 HB3 ARG 22 2HB ARG 22 -5.969 10.672 -14.866 314 HG2 ARG 22 1HG ARG 22 -7.526 12.592 -14.935 315 HG3 ARG 22 2HG ARG 22 -8.792 11.517 -15.571 316 HD2 ARG 22 1HD ARG 22 -7.271 11.137 -13.011 317 HD3 ARG 22 2HD ARG 22 -8.908 11.806 -13.132 318 HE ARG 22 HE ARG 22 -8.062 8.996 -13.470 319 HH11 ARG 22 1HH1 ARG 22 -10.758 11.279 -13.712 320 HH12 ARG 22 2HH1 ARG 22 -11.940 9.999 -13.746 321 HH21 ARG 22 1HH2 ARG 22 -9.600 7.459 -13.541 322 HH22 ARG 22 2HH2 ARG 22 -11.298 7.860 -13.656 323 H GLY 23 H GLY 23 -3.923 11.081 -16.427 324 HA2 GLY 23 1HA GLY 23 -2.582 13.090 -17.352 325 HA3 GLY 23 2HA GLY 23 -3.669 14.048 -16.326 326 H GLY 24 H GLY 24 -0.685 12.575 -16.433 327 HA2 GLY 24 1HA GLY 24 0.845 12.807 -14.626 328 HA3 GLY 24 2HA GLY 24 -0.493 12.733 -13.474 329 H PHE 25 H PHE 25 2.041 11.041 -14.958 330 HA PHE 25 HA PHE 25 1.452 8.678 -13.381 331 HB2 PHE 25 1HB PHE 25 0.214 8.320 -15.576 332 HB3 PHE 25 2HB PHE 25 1.774 8.378 -16.394 333 HD1 PHE 25 HD2 PHE 25 0.876 6.774 -13.097 334 HD2 PHE 25 HD1 PHE 25 2.033 6.158 -17.208 335 HE1 PHE 25 HE2 PHE 25 1.187 4.362 -12.654 336 HE2 PHE 25 HE1 PHE 25 2.323 3.726 -16.750 337 HZ PHE 25 HZ PHE 25 1.889 2.823 -14.472 338 H TYR 26 H TYR 26 3.438 7.323 -13.298 339 HA TYR 26 HA TYR 26 5.807 9.056 -13.695 340 HB2 TYR 26 1HB TYR 26 6.893 7.526 -12.097 341 HB3 TYR 26 2HB TYR 26 5.387 8.183 -11.438 342 HD1 TYR 26 HD2 TYR 26 7.040 5.146 -12.766 343 HD2 TYR 26 HD1 TYR 26 3.439 6.740 -11.028 344 HE1 TYR 26 HE2 TYR 26 6.200 2.842 -12.378 345 HE2 TYR 26 HE1 TYR 26 2.614 4.426 -10.649 346 HH TYR 26 HH TYR 26 4.544 1.542 -11.558 347 H NVA 27 H ARX 27 4.222 6.664 -15.266 348 HA NVA 27 HA ARX 27 4.770 4.812 -16.578 349 HB2 NVA 27 1HB ARX 27 4.428 7.184 -17.806 350 HB3 NVA 27 2HB ARX 27 6.051 6.847 -18.380 351 HG2 NVA 27 1HG ARX 27 4.868 4.381 -18.869 352 HG3 NVA 27 2HG ARX 27 3.448 5.415 -18.939 353 HD2 NVA 27 1HD ARX 27 4.205 5.243 -21.155 354 HD3 NVA 27 2HD ARX 27 4.780 6.848 -20.697 355 HA PRO 28 HA PRO 28 9.179 3.713 -15.852 356 HB2 PRO 28 1HB PRO 28 8.852 1.113 -15.134 357 HB3 PRO 28 2HB PRO 28 8.411 2.452 -14.026 358 HG2 PRO 28 1HG PRO 28 6.631 0.827 -15.842 359 HG3 PRO 28 2HG PRO 28 6.398 1.253 -14.122 360 HD2 PRO 28 1HD PRO 28 5.249 2.636 -16.225 361 HD3 PRO 28 2HD PRO 28 5.615 3.381 -14.641 362 H HIX 29 H HIX 29 9.102 4.164 -18.251 363 HA HIX 29 HA HIX 29 8.481 2.263 -20.234 364 HB1 HIX 29 1HB HIX 29 10.211 4.757 -20.250 365 HB2 HIX 29 2HB HIX 29 10.118 3.717 -21.674 366 HD2 HIX 29 HD2 HIX 29 7.152 4.826 -19.173 367 HD1 HIX 29 HD1 HIX 29 8.184 4.797 -23.251 368 H THR 30 H THR 30 9.114 0.328 -20.290 369 HA THR 30 HA THR 30 11.879 -0.379 -20.982 370 HB THR 30 HB THR 30 11.549 -2.437 -19.322 371 HG1 THR 30 HG1 THR 30 10.013 -0.309 -18.139 372 HG21 THR 30 1HG2 THR 30 12.444 0.261 -18.167 373 HG22 THR 30 2HG2 THR 30 13.452 -0.769 -19.195 374 HG23 THR 30 3HG2 THR 30 12.921 -1.347 -17.610 375 HXT THR 30 H02 THR 30 10.347 -2.562 -22.915 Start of MODEL 14 1 H1 GLY 1 2H0 GLY 1 1.844 -0.397 1.616 2 H2 GLY 1 1H0 GLY 1 2.814 -1.727 1.419 3 HA2 GLY 1 1HA GLY 1 2.912 0.780 -0.199 4 HA3 GLY 1 2HA GLY 1 4.007 -0.602 -0.422 5 H ILE 2 H ILE 2 2.905 0.231 -2.585 6 HA ILE 2 HA ILE 2 0.322 -0.567 -3.313 7 HB ILE 2 HB ILE 2 1.807 0.858 -4.735 8 HG12 ILE 2 1HG1 ILE 2 1.365 -0.221 -6.974 9 HG13 ILE 2 2HG1 ILE 2 0.757 -1.634 -6.111 10 HG21 ILE 2 1HG2 ILE 2 3.619 -0.028 -6.095 11 HG22 ILE 2 2HG2 ILE 2 3.936 -0.461 -4.404 12 HG23 ILE 2 3HG2 ILE 2 3.303 -1.683 -5.512 13 HD11 ILE 2 3HD1 ILE 2 -0.372 1.150 -5.943 14 HD12 ILE 2 1HD1 ILE 2 -1.055 -0.209 -6.827 15 HD13 ILE 2 2HD1 ILE 2 -1.003 -0.274 -5.064 16 H VAL 3 H VAL 3 3.230 -2.580 -3.108 17 HA VAL 3 HA VAL 3 2.190 -4.814 -4.525 18 HB VAL 3 HB VAL 3 4.327 -4.620 -2.349 19 HG11 VAL 3 1HG1 VAL 3 3.528 -6.901 -2.404 20 HG12 VAL 3 2HG1 VAL 3 3.677 -6.955 -4.178 21 HG13 VAL 3 3HG1 VAL 3 5.127 -6.815 -3.157 22 HG21 VAL 3 3HG2 VAL 3 4.502 -4.815 -5.375 23 HG22 VAL 3 1HG2 VAL 3 4.873 -3.363 -4.396 24 HG23 VAL 3 2HG2 VAL 3 5.879 -4.825 -4.250 25 H GLU 4 H GLU 4 2.211 -3.991 -1.047 26 HA GLU 4 HA GLU 4 0.986 -6.458 -0.228 27 HB2 GLU 4 1HB GLU 4 1.190 -3.762 1.145 28 HB3 GLU 4 2HB GLU 4 0.672 -5.265 1.931 29 HG2 GLU 4 1HG GLU 4 2.867 -6.299 1.486 30 HG3 GLU 4 2HG GLU 4 3.407 -4.829 0.666 31 HE2 GLU 4 HE2 GLU 4 3.649 -3.045 3.611 32 H GLN 5 H GLN 5 -0.284 -3.345 -1.360 33 HA GLN 5 HA GLN 5 -2.982 -4.084 -0.414 34 HB2 GLN 5 1HB GLN 5 -1.966 -1.632 -1.902 35 HB3 GLN 5 2HB GLN 5 -3.641 -1.915 -1.388 36 HG2 GLN 5 1HG GLN 5 -2.465 -2.375 0.973 37 HG3 GLN 5 2HG GLN 5 -1.234 -1.294 0.271 38 HE21 GLN 5 2HE2 GLN 5 -4.793 -1.532 0.705 39 HE22 GLN 5 1HE2 GLN 5 -5.010 0.152 1.068 40 H CYS 6 H CYS 6 -1.225 -4.047 -3.528 41 HA CYS 6 HA CYS 6 -3.809 -4.861 -4.823 42 HB2 CYS 6 1HB CYS 6 -1.268 -3.675 -5.956 43 HB3 CYS 6 2HB CYS 6 -2.549 -4.386 -6.949 44 H CYS 7 H CYS 7 -0.391 -5.988 -4.484 45 HA CYS 7 HA CYS 7 -0.982 -8.213 -6.328 46 HB2 CYS 7 1HB CYS 7 1.361 -7.836 -4.412 47 HB3 CYS 7 2HB CYS 7 1.241 -9.053 -5.679 48 H THR 8 H THR 8 -0.223 -7.796 -2.855 49 HA THR 8 HA THR 8 -0.984 -10.471 -2.135 50 HB THR 8 HB THR 8 -0.793 -7.997 -0.361 51 HG1 THR 8 HG1 THR 8 1.257 -9.877 -0.929 52 HG21 THR 8 1HG2 THR 8 -1.760 -9.839 0.835 53 HG22 THR 8 2HG2 THR 8 -0.060 -9.649 1.346 54 HG23 THR 8 3HG2 THR 8 -0.521 -10.946 0.216 55 H SER 9 H SER 9 -2.690 -7.312 -1.905 56 HA SER 9 HA SER 9 -5.107 -8.795 -0.990 57 HB2 SER 9 1HB SER 9 -4.500 -5.865 -0.609 58 HB3 SER 9 2HB SER 9 -5.789 -6.806 0.161 59 HG SER 9 HG SER 9 -3.017 -6.770 0.662 60 H ILE 10 H ILE 10 -7.127 -7.141 -1.353 61 HA ILE 10 HA ILE 10 -7.316 -6.845 -4.310 62 HB ILE 10 HB ILE 10 -9.381 -6.634 -2.068 63 HG12 ILE 10 1HG1 ILE 10 -8.631 -8.939 -2.521 64 HG13 ILE 10 2HG1 ILE 10 -10.324 -8.673 -2.890 65 HG21 ILE 10 1HG2 ILE 10 -11.079 -6.609 -3.984 66 HG22 ILE 10 2HG2 ILE 10 -10.128 -5.135 -3.808 67 HG23 ILE 10 3HG2 ILE 10 -9.730 -6.308 -5.088 68 HD11 ILE 10 3HD1 ILE 10 -8.083 -8.833 -4.922 69 HD12 ILE 10 1HD1 ILE 10 -9.294 -10.096 -4.582 70 HD13 ILE 10 2HD1 ILE 10 -9.809 -8.543 -5.299 71 H CYS 11 H CYS 11 -7.257 -4.865 -5.249 72 HA CYS 11 HA CYS 11 -7.733 -2.526 -3.488 73 HB2 CYS 11 1HB CYS 11 -5.982 -1.282 -4.607 74 HB3 CYS 11 2HB CYS 11 -5.324 -2.696 -3.809 75 H SER 12 H SER 12 -8.656 -0.754 -4.542 76 HA SER 12 HA SER 12 -10.141 -1.474 -7.050 77 HB2 SER 12 1HB SER 12 -11.519 -1.064 -4.990 78 HB3 SER 12 2HB SER 12 -10.798 0.552 -4.860 79 HG SER 12 HG SER 12 -12.900 0.383 -5.930 80 H LEU 13 H LEU 13 -10.557 0.396 -8.476 81 HA LEU 13 HA LEU 13 -8.234 1.777 -9.216 82 HB2 LEU 13 1HB LEU 13 -9.646 3.083 -10.684 83 HB3 LEU 13 2HB LEU 13 -10.063 1.410 -10.771 84 HG LEU 13 HG LEU 13 -11.729 3.289 -9.104 85 HD11 LEU 13 1HD1 LEU 13 -13.144 3.658 -11.089 86 HD12 LEU 13 2HD1 LEU 13 -11.940 2.811 -12.095 87 HD13 LEU 13 3HD1 LEU 13 -11.519 4.334 -11.281 88 HD21 LEU 13 3HD2 LEU 13 -13.554 1.705 -9.777 89 HD22 LEU 13 1HD2 LEU 13 -12.286 0.947 -8.817 90 HD23 LEU 13 2HD2 LEU 13 -12.348 0.704 -10.578 91 H TYR 14 H TYR 14 -10.827 2.695 -7.013 92 HA TYR 14 HA TYR 14 -10.288 5.453 -6.682 93 HB2 TYR 14 1HB TYR 14 -12.211 4.163 -5.783 94 HB3 TYR 14 2HB TYR 14 -11.155 3.376 -4.624 95 HD1 TYR 14 HD2 TYR 14 -12.428 6.741 -5.694 96 HD2 TYR 14 HD1 TYR 14 -10.714 4.386 -2.529 97 HE1 TYR 14 HE2 TYR 14 -12.818 8.619 -4.078 98 HE2 TYR 14 HE1 TYR 14 -11.111 6.265 -0.915 99 HH TYR 14 HH TYR 14 -12.604 9.355 -1.948 100 H GLN 15 H GLN 15 -8.774 2.586 -5.147 101 HA GLN 15 HA GLN 15 -7.027 4.266 -3.504 102 HB2 GLN 15 1HB GLN 15 -7.307 1.295 -3.984 103 HB3 GLN 15 2HB GLN 15 -5.855 1.940 -3.228 104 HG2 GLN 15 1HG GLN 15 -8.682 2.360 -2.189 105 HG3 GLN 15 2HG GLN 15 -7.515 1.193 -1.563 106 HE21 GLN 15 2HE2 GLN 15 -8.845 3.529 -0.271 107 HE22 GLN 15 1HE2 GLN 15 -7.543 4.536 0.322 108 H LEU 16 H LEU 16 -6.792 2.449 -6.608 109 HA LEU 16 HA LEU 16 -4.000 2.623 -6.962 110 HB2 LEU 16 1HB LEU 16 -6.309 2.562 -8.851 111 HB3 LEU 16 2HB LEU 16 -4.742 3.023 -9.458 112 HG LEU 16 HG LEU 16 -5.167 0.744 -9.980 113 HD11 LEU 16 1HD1 LEU 16 -2.856 1.263 -9.475 114 HD12 LEU 16 2HD1 LEU 16 -3.235 -0.392 -8.984 115 HD13 LEU 16 3HD1 LEU 16 -3.098 0.901 -7.757 116 HD21 LEU 16 3HD2 LEU 16 -6.739 0.161 -8.312 117 HD22 LEU 16 1HD2 LEU 16 -5.484 0.227 -7.050 118 HD23 LEU 16 2HD2 LEU 16 -5.404 -0.994 -8.336 119 H GLU 17 H GLU 17 -6.518 5.074 -7.468 120 HA GLU 17 HA GLU 17 -4.938 7.030 -8.779 121 HB2 GLU 17 1HB GLU 17 -7.283 7.316 -6.864 122 HB3 GLU 17 2HB GLU 17 -6.516 8.689 -7.674 123 HG2 GLU 17 1HG GLU 17 -7.004 7.645 -9.874 124 HG3 GLU 17 2HG GLU 17 -7.898 6.367 -9.046 125 HE2 GLU 17 HE2 GLU 17 -7.625 9.729 -9.009 126 H ASN 18 H ASN 18 -5.063 6.215 -5.294 127 HA ASN 18 HA ASN 18 -3.774 8.647 -4.428 128 HB2 ASN 18 1HB ASN 18 -3.915 5.890 -3.164 129 HB3 ASN 18 2HB ASN 18 -3.277 7.315 -2.351 130 HD21 ASN 18 2HD2 ASN 18 -5.604 5.585 -1.679 131 HD22 ASN 18 1HD2 ASN 18 -6.963 6.685 -1.615 132 H TYR 19 H TYR 19 -2.605 5.765 -5.990 133 HA TYR 19 HA TYR 19 0.168 6.218 -5.057 134 HB2 TYR 19 1HB TYR 19 -1.017 4.267 -7.057 135 HB3 TYR 19 2HB TYR 19 0.665 4.238 -6.458 136 HD1 TYR 19 HD1 TYR 19 1.075 3.715 -3.961 137 HD2 TYR 19 HD2 TYR 19 -2.746 3.315 -5.844 138 HE1 TYR 19 HE1 TYR 19 0.311 2.213 -2.126 139 HE2 TYR 19 HE2 TYR 19 -3.509 1.825 -4.039 140 HH TYR 19 HH TYR 19 -1.576 1.142 -1.187 141 H CYS 20 H CYS 20 -1.902 7.434 -7.425 142 HA CYS 20 HA CYS 20 0.209 7.856 -9.456 143 HB2 CYS 20 1HB CYS 20 -2.249 7.517 -10.005 144 HB3 CYS 20 2HB CYS 20 -2.589 9.064 -9.219 145 H ASN 21 H ASN 21 -1.852 9.680 -7.203 146 HA ASN 21 HA ASN 21 -1.691 11.647 -6.138 147 HB2 ASN 21 1HB ASN 21 0.219 10.436 -5.069 148 HB3 ASN 21 2HB ASN 21 1.337 11.194 -6.204 149 HD21 ASN 21 2HD2 ASN 21 2.438 12.182 -4.485 150 HD22 ASN 21 1HD2 ASN 21 1.724 13.548 -3.650 151 HXT ASN 21 H02 ASN 21 0.778 11.819 -8.422 152 H1 PHE 1 2H0 PHE 1 -12.547 -0.432 -15.915 153 H2 PHE 1 1H0 PHE 1 -13.564 -1.708 -15.641 154 HA PHE 1 HA PHE 1 -11.363 -2.052 -14.572 155 HB2 PHE 1 1HB PHE 1 -11.190 0.510 -14.249 156 HB3 PHE 1 2HB PHE 1 -12.254 0.333 -12.876 157 HD1 PHE 1 HD2 PHE 1 -11.370 -1.582 -11.084 158 HD2 PHE 1 HD1 PHE 1 -8.918 0.584 -13.888 159 HE1 PHE 1 HE2 PHE 1 -9.387 -2.021 -9.679 160 HE2 PHE 1 HE1 PHE 1 -6.943 0.184 -12.485 161 HZ PHE 1 HZ PHE 1 -7.151 -1.143 -10.354 162 H VAL 2 H VAL 2 -11.528 -3.775 -13.418 163 HA VAL 2 HA VAL 2 -13.698 -3.967 -11.360 164 HB VAL 2 HB VAL 2 -12.129 -6.208 -12.703 165 HG11 VAL 2 1HG1 VAL 2 -14.489 -6.258 -10.770 166 HG12 VAL 2 2HG1 VAL 2 -13.827 -7.672 -11.618 167 HG13 VAL 2 3HG1 VAL 2 -12.823 -6.823 -10.438 168 HG21 VAL 2 3HG2 VAL 2 -14.308 -6.748 -13.826 169 HG22 VAL 2 1HG2 VAL 2 -15.020 -5.283 -13.122 170 HG23 VAL 2 2HG2 VAL 2 -13.686 -5.146 -14.300 171 H ASN 3 H ASN 3 -13.111 -4.192 -9.266 172 HA ASN 3 HA ASN 3 -10.289 -3.836 -8.546 173 HB2 ASN 3 1HB ASN 3 -11.062 -3.809 -6.244 174 HB3 ASN 3 2HB ASN 3 -12.141 -2.797 -7.208 175 HD21 ASN 3 2HD2 ASN 3 -14.268 -3.587 -7.678 176 HD22 ASN 3 1HD2 ASN 3 -14.972 -4.810 -6.657 177 H GLN 4 H GLN 4 -8.847 -5.383 -8.152 178 HA GLN 4 HA GLN 4 -9.542 -8.154 -7.484 179 HB2 GLN 4 1HB GLN 4 -8.799 -9.113 -9.596 180 HB3 GLN 4 2HB GLN 4 -10.168 -8.051 -9.898 181 HG2 GLN 4 1HG GLN 4 -8.497 -6.234 -10.527 182 HG3 GLN 4 2HG GLN 4 -7.274 -7.501 -10.520 183 HE21 GLN 4 2HE2 GLN 4 -9.664 -5.913 -12.299 184 HE22 GLN 4 1HE2 GLN 4 -9.702 -7.002 -13.677 185 H HIS 5 H HIS 5 -7.380 -9.476 -7.841 186 HA HIS 5 HA HIS 5 -5.180 -7.975 -6.632 187 HB2 HIS 5 1HB HIS 5 -5.386 -10.813 -7.745 188 HB3 HIS 5 2HB HIS 5 -3.932 -10.141 -6.993 189 HD1 HIS 5 HD1 HIS 5 -4.107 -9.467 -4.389 190 HD2 HIS 5 HD2 HIS 5 -7.279 -11.727 -5.948 191 HE1 HIS 5 HE1 HIS 5 -5.417 -10.370 -2.399 192 HE2 HIS 5 HE2 HIS 5 -7.297 -11.782 -3.363 193 H LEU 6 H LEU 6 -3.508 -7.043 -7.655 194 HA LEU 6 HA LEU 6 -3.039 -7.583 -10.568 195 HB2 LEU 6 1HB LEU 6 -3.532 -4.908 -9.235 196 HB3 LEU 6 2HB LEU 6 -2.733 -5.047 -10.803 197 HG LEU 6 HG LEU 6 -5.456 -6.242 -10.339 198 HD11 LEU 6 1HD1 LEU 6 -6.406 -4.120 -11.283 199 HD12 LEU 6 2HD1 LEU 6 -4.809 -3.368 -11.016 200 HD13 LEU 6 3HD1 LEU 6 -5.749 -3.996 -9.641 201 HD21 LEU 6 3HD2 LEU 6 -5.687 -5.872 -12.786 202 HD22 LEU 6 1HD2 LEU 6 -4.319 -6.934 -12.389 203 HD23 LEU 6 2HD2 LEU 6 -4.029 -5.231 -12.834 204 H CYS 7 H CYS 7 -0.877 -7.548 -11.085 205 HA CYS 7 HA CYS 7 1.005 -6.260 -9.231 206 HB2 CYS 7 1HB CYS 7 0.429 -8.763 -8.616 207 HB3 CYS 7 2HB CYS 7 1.597 -9.108 -9.899 208 H GLY 8 H GLY 8 3.310 -6.471 -10.146 209 HA2 GLY 8 1HA GLY 8 4.758 -6.099 -11.884 210 HA3 GLY 8 2HA GLY 8 3.872 -7.380 -12.719 211 H SER 9 H SER 9 3.976 -6.630 -14.732 212 HA SER 9 HA SER 9 3.510 -3.966 -15.572 213 HB2 SER 9 1HB SER 9 2.697 -5.695 -17.640 214 HB3 SER 9 2HB SER 9 4.313 -5.003 -17.384 215 HG SER 9 HG SER 9 4.508 -7.232 -17.419 216 H HIS 10 H HIS 10 1.256 -6.585 -14.764 217 HA HIS 10 HA HIS 10 -1.026 -5.356 -16.002 218 HB2 HIS 10 1HB HIS 10 -0.574 -7.767 -14.872 219 HB3 HIS 10 2HB HIS 10 -1.478 -6.975 -13.557 220 HD1 HIS 10 HD1 HIS 10 -3.043 -9.223 -14.646 221 HD2 HIS 10 HD2 HIS 10 -2.957 -5.527 -16.637 222 HE1 HIS 10 HE1 HIS 10 -5.107 -9.114 -16.130 223 HE2 HIS 10 HE2 HIS 10 -5.043 -6.890 -17.326 224 H LEU 11 H LEU 11 0.515 -5.097 -12.788 225 HA LEU 11 HA LEU 11 -1.469 -3.334 -11.629 226 HB2 LEU 11 1HB LEU 11 0.944 -4.476 -10.815 227 HB3 LEU 11 2HB LEU 11 1.311 -2.769 -10.898 228 HG LEU 11 HG LEU 11 -0.883 -4.037 -9.232 229 HD11 LEU 11 1HD1 LEU 11 0.528 -3.500 -7.348 230 HD12 LEU 11 2HD1 LEU 11 1.688 -2.632 -8.391 231 HD13 LEU 11 3HD1 LEU 11 1.518 -4.393 -8.515 232 HD21 LEU 11 3HD2 LEU 11 -1.171 -1.820 -8.257 233 HD22 LEU 11 1HD2 LEU 11 -1.548 -1.805 -9.992 234 HD23 LEU 11 2HD2 LEU 11 0.016 -1.144 -9.402 235 H VAL 12 H VAL 12 1.545 -2.751 -13.481 236 HA VAL 12 HA VAL 12 1.396 0.117 -13.368 237 HB VAL 12 HB VAL 12 2.571 -1.602 -15.632 238 HG11 VAL 12 1HG1 VAL 12 3.963 0.410 -16.110 239 HG12 VAL 12 2HG1 VAL 12 2.236 0.752 -16.333 240 HG13 VAL 12 3HG1 VAL 12 3.069 1.307 -14.870 241 HG21 VAL 12 3HG2 VAL 12 3.598 -2.184 -13.476 242 HG22 VAL 12 1HG2 VAL 12 4.744 -1.233 -14.457 243 HG23 VAL 12 2HG2 VAL 12 3.854 -0.463 -13.120 244 H GLU 13 H GLU 13 0.060 -2.227 -15.743 245 HA GLU 13 HA GLU 13 -1.121 -0.335 -17.503 246 HB2 GLU 13 1HB GLU 13 -1.795 -3.161 -16.715 247 HB3 GLU 13 2HB GLU 13 -2.898 -2.259 -17.745 248 HG2 GLU 13 1HG GLU 13 -1.160 -1.931 -19.419 249 HG3 GLU 13 2HG GLU 13 0.022 -2.737 -18.355 250 HE2 GLU 13 HE2 GLU 13 -1.587 -4.924 -20.876 251 H ALA 14 H ALA 14 -2.446 -1.859 -14.503 252 HA ALA 14 HA ALA 14 -5.021 -0.662 -14.741 253 HB1 ALA 14 3HB ALA 14 -3.464 -1.402 -12.248 254 HB2 ALA 14 1HB ALA 14 -5.199 -1.081 -12.329 255 HB3 ALA 14 2HB ALA 14 -4.519 -2.468 -13.187 256 H LEU 15 H LEU 15 -2.065 0.493 -13.108 257 HA LEU 15 HA LEU 15 -3.225 2.906 -12.099 258 HB2 LEU 15 1HB LEU 15 -0.743 1.596 -12.030 259 HB3 LEU 15 2HB LEU 15 -0.396 3.120 -12.814 260 HG LEU 15 HG LEU 15 -1.785 2.791 -10.137 261 HD11 LEU 15 1HD1 LEU 15 1.089 3.529 -10.817 262 HD12 LEU 15 2HD1 LEU 15 0.546 2.005 -10.083 263 HD13 LEU 15 3HD1 LEU 15 0.380 3.526 -9.176 264 HD21 LEU 15 3HD2 LEU 15 -2.365 4.951 -11.208 265 HD22 LEU 15 1HD2 LEU 15 -0.642 5.290 -11.448 266 HD23 LEU 15 2HD2 LEU 15 -1.309 5.199 -9.807 267 H TYR 16 H TYR 16 -1.692 2.098 -15.243 268 HA TYR 16 HA TYR 16 -1.726 4.804 -16.234 269 HB2 TYR 16 1HB TYR 16 -0.338 3.199 -17.369 270 HB3 TYR 16 2HB TYR 16 -1.711 2.109 -17.597 271 HD1 TYR 16 HD1 TYR 16 -0.323 5.428 -18.654 272 HD2 TYR 16 HD2 TYR 16 -3.210 2.337 -19.484 273 HE1 TYR 16 HE1 TYR 16 -0.858 6.503 -20.838 274 HE2 TYR 16 HE2 TYR 16 -3.731 3.402 -21.668 275 HH TYR 16 HH TYR 16 -2.081 6.408 -22.737 276 H LEU 17 H LEU 17 -4.134 2.126 -16.333 277 HA LEU 17 HA LEU 17 -5.851 3.496 -18.175 278 HB2 LEU 17 1HB LEU 17 -6.383 1.334 -16.136 279 HB3 LEU 17 2HB LEU 17 -7.605 1.914 -17.264 280 HG LEU 17 HG LEU 17 -4.982 0.709 -18.154 281 HD11 LEU 17 1HD1 LEU 17 -6.198 -1.396 -18.485 282 HD12 LEU 17 2HD1 LEU 17 -7.644 -0.663 -17.764 283 HD13 LEU 17 3HD1 LEU 17 -6.193 -0.921 -16.774 284 HD21 LEU 17 3HD2 LEU 17 -6.238 0.285 -20.244 285 HD22 LEU 17 1HD2 LEU 17 -6.048 2.024 -19.889 286 HD23 LEU 17 2HD2 LEU 17 -7.611 1.193 -19.581 287 H VAL 18 H VAL 18 -5.765 3.357 -14.608 288 HA VAL 18 HA VAL 18 -8.098 5.058 -14.464 289 HB VAL 18 HB VAL 18 -7.598 3.322 -12.759 290 HG11 VAL 18 1HG1 VAL 18 -5.923 3.550 -11.129 291 HG12 VAL 18 2HG1 VAL 18 -5.131 3.705 -12.705 292 HG13 VAL 18 3HG1 VAL 18 -5.430 5.160 -11.712 293 HG21 VAL 18 3HG2 VAL 18 -8.121 4.667 -10.765 294 HG22 VAL 18 1HG2 VAL 18 -7.745 6.145 -11.660 295 HG23 VAL 18 2HG2 VAL 18 -9.104 5.123 -12.166 296 H CYS 19 H CYS 19 -4.604 5.690 -14.304 297 HA CYS 19 HA CYS 19 -5.316 8.593 -13.918 298 HB2 CYS 19 1HB CYS 19 -4.237 7.315 -11.979 299 HB3 CYS 19 2HB CYS 19 -2.767 7.321 -12.950 300 H GLY 20 H GLY 20 -3.106 6.359 -15.573 301 HA2 GLY 20 1HA GLY 20 -1.361 8.373 -16.527 302 HA3 GLY 20 2HA GLY 20 -1.576 6.775 -17.253 303 H GLU 21 H GLU 21 -4.373 7.072 -17.870 304 HA GLU 21 HA GLU 21 -4.229 8.584 -20.339 305 HB2 GLU 21 1HB GLU 21 -6.568 7.382 -18.796 306 HB3 GLU 21 2HB GLU 21 -6.684 8.116 -20.398 307 HG2 GLU 21 1HG GLU 21 -5.026 6.463 -21.241 308 HG3 GLU 21 2HG GLU 21 -5.117 5.661 -19.662 309 HE2 GLU 21 HE2 GLU 21 -7.838 3.969 -20.464 310 H ARG 22 H ARG 22 -5.203 9.372 -17.052 311 HA ARG 22 HA ARG 22 -6.752 11.726 -17.789 312 HB2 ARG 22 1HB ARG 22 -7.144 10.521 -15.678 313 HB3 ARG 22 2HB ARG 22 -5.494 10.839 -15.166 314 HG2 ARG 22 1HG ARG 22 -6.992 12.318 -14.001 315 HG3 ARG 22 2HG ARG 22 -5.971 13.251 -15.102 316 HD2 ARG 22 1HD ARG 22 -8.227 14.078 -15.258 317 HD3 ARG 22 2HD ARG 22 -7.831 13.240 -16.752 318 HE ARG 22 HE ARG 22 -9.059 11.362 -15.043 319 HH11 ARG 22 1HH1 ARG 22 -9.967 14.308 -16.760 320 HH12 ARG 22 2HH1 ARG 22 -11.639 13.814 -16.936 321 HH21 ARG 22 1HH2 ARG 22 -11.206 10.802 -15.292 322 HH22 ARG 22 2HH2 ARG 22 -12.336 11.875 -16.082 323 H GLY 23 H GLY 23 -3.364 11.048 -16.993 324 HA2 GLY 23 1HA GLY 23 -1.777 12.629 -18.086 325 HA3 GLY 23 2HA GLY 23 -2.758 13.939 -17.392 326 H GLY 24 H GLY 24 0.080 12.872 -17.018 327 HA2 GLY 24 1HA GLY 24 1.382 13.542 -15.139 328 HA3 GLY 24 2HA GLY 24 0.025 13.166 -14.067 329 H PHE 25 H PHE 25 1.080 10.821 -16.515 330 HA PHE 25 HA PHE 25 1.561 8.913 -14.390 331 HB2 PHE 25 1HB PHE 25 0.595 8.560 -16.825 332 HB3 PHE 25 2HB PHE 25 2.301 8.427 -17.258 333 HD1 PHE 25 HD2 PHE 25 0.343 7.198 -14.270 334 HD2 PHE 25 HD1 PHE 25 2.801 6.184 -17.673 335 HE1 PHE 25 HE2 PHE 25 0.365 4.830 -13.535 336 HE2 PHE 25 HE1 PHE 25 2.801 3.796 -16.942 337 HZ PHE 25 HZ PHE 25 1.583 3.115 -14.876 338 H TYR 26 H TYR 26 3.512 7.774 -13.976 339 HA TYR 26 HA TYR 26 5.890 9.481 -14.424 340 HB2 TYR 26 1HB TYR 26 6.865 8.208 -12.548 341 HB3 TYR 26 2HB TYR 26 5.307 8.926 -12.114 342 HD1 TYR 26 HD2 TYR 26 3.312 7.506 -11.739 343 HD2 TYR 26 HD1 TYR 26 7.108 5.742 -12.797 344 HE1 TYR 26 HE2 TYR 26 2.449 5.239 -11.144 345 HE2 TYR 26 HE1 TYR 26 6.226 3.506 -12.173 346 HH TYR 26 HH TYR 26 4.465 2.307 -11.370 347 H NVA 27 H ARX 27 4.471 6.862 -15.761 348 HA NVA 27 HA ARX 27 5.064 4.888 -16.778 349 HB2 NVA 27 1HB ARX 27 5.215 7.054 -18.363 350 HB3 NVA 27 2HB ARX 27 6.880 6.508 -18.540 351 HG2 NVA 27 1HG ARX 27 5.599 4.089 -18.929 352 HG3 NVA 27 2HG ARX 27 4.296 5.164 -19.413 353 HD2 NVA 27 1HD ARX 27 5.427 4.670 -21.406 354 HD3 NVA 27 2HD ARX 27 6.081 6.272 -21.032 355 HA PRO 28 HA PRO 28 9.083 3.490 -15.092 356 HB2 PRO 28 1HB PRO 28 8.350 1.031 -14.213 357 HB3 PRO 28 2HB PRO 28 7.859 2.522 -13.363 358 HG2 PRO 28 1HG PRO 28 6.288 0.864 -15.342 359 HG3 PRO 28 2HG PRO 28 5.768 1.507 -13.748 360 HD2 PRO 28 1HD PRO 28 5.195 2.739 -16.160 361 HD3 PRO 28 2HD PRO 28 5.351 3.625 -14.601 362 H HIX 29 H HIX 29 9.552 3.695 -17.458 363 HA HIX 29 HA HIX 29 9.244 1.549 -19.321 364 HB1 HIX 29 1HB HIX 29 11.088 3.982 -19.306 365 HB2 HIX 29 2HB HIX 29 11.219 2.741 -20.562 366 HD2 HIX 29 HD2 HIX 29 7.930 4.355 -18.842 367 HD1 HIX 29 HD1 HIX 29 9.648 3.620 -22.603 368 H THR 30 H THR 30 10.161 -0.212 -19.712 369 HA THR 30 HA THR 30 12.777 -1.036 -18.618 370 HB THR 30 HB THR 30 11.408 -3.180 -17.797 371 HG1 THR 30 HG1 THR 30 9.551 -1.036 -17.346 372 HG21 THR 30 1HG2 THR 30 12.773 -1.668 -16.278 373 HG22 THR 30 2HG2 THR 30 11.295 -2.281 -15.525 374 HG23 THR 30 3HG2 THR 30 11.359 -0.613 -16.101 375 HXT THR 30 H02 THR 30 12.768 -3.503 -20.931 Start of MODEL 15 1 H1 GLY 1 2H0 GLY 1 3.448 -1.610 1.051 2 H2 GLY 1 1H0 GLY 1 3.155 -0.250 1.927 3 HA2 GLY 1 1HA GLY 1 2.150 0.922 0.194 4 HA3 GLY 1 2HA GLY 1 3.551 0.130 -0.557 5 H ILE 2 H ILE 2 2.376 0.589 -2.543 6 HA ILE 2 HA ILE 2 -0.146 -0.449 -3.230 7 HB ILE 2 HB ILE 2 1.087 1.160 -4.642 8 HG12 ILE 2 1HG1 ILE 2 0.442 -1.397 -6.168 9 HG13 ILE 2 2HG1 ILE 2 -0.743 -0.244 -5.580 10 HG21 ILE 2 1HG2 ILE 2 3.402 0.126 -4.377 11 HG22 ILE 2 2HG2 ILE 2 2.898 -1.165 -5.506 12 HG23 ILE 2 3HG2 ILE 2 2.990 0.515 -6.055 13 HD11 ILE 2 3HD1 ILE 2 -0.511 0.402 -7.775 14 HD12 ILE 2 1HD1 ILE 2 0.677 1.470 -7.008 15 HD13 ILE 2 2HD1 ILE 2 1.208 -0.016 -7.822 16 H VAL 3 H VAL 3 2.991 -2.150 -3.167 17 HA VAL 3 HA VAL 3 2.075 -4.416 -4.631 18 HB VAL 3 HB VAL 3 4.278 -4.130 -2.553 19 HG11 VAL 3 1HG1 VAL 3 5.240 -6.206 -3.496 20 HG12 VAL 3 2HG1 VAL 3 3.629 -6.507 -2.814 21 HG13 VAL 3 3HG1 VAL 3 3.836 -6.363 -4.571 22 HG21 VAL 3 3HG2 VAL 3 4.326 -4.034 -5.601 23 HG22 VAL 3 1HG2 VAL 3 4.647 -2.682 -4.503 24 HG23 VAL 3 2HG2 VAL 3 5.770 -4.053 -4.553 25 H GLU 4 H GLU 4 2.171 -3.651 -1.111 26 HA GLU 4 HA GLU 4 1.101 -6.222 -0.373 27 HB2 GLU 4 1HB GLU 4 1.363 -3.589 1.121 28 HB3 GLU 4 2HB GLU 4 0.860 -5.113 1.862 29 HG2 GLU 4 1HG GLU 4 3.014 -6.143 1.372 30 HG3 GLU 4 2HG GLU 4 3.489 -4.734 0.418 31 HE2 GLU 4 HE2 GLU 4 2.359 -5.488 3.482 32 H GLN 5 H GLN 5 -0.340 -3.274 -1.452 33 HA GLN 5 HA GLN 5 -3.011 -3.973 -0.392 34 HB2 GLN 5 1HB GLN 5 -1.851 -1.671 -1.944 35 HB3 GLN 5 2HB GLN 5 -3.594 -1.878 -1.781 36 HG2 GLN 5 1HG GLN 5 -1.705 -1.805 0.609 37 HG3 GLN 5 2HG GLN 5 -2.497 -0.378 -0.057 38 HE21 GLN 5 2HE2 GLN 5 -2.793 -2.644 2.307 39 HE22 GLN 5 1HE2 GLN 5 -4.521 -2.580 2.531 40 H CYS 6 H CYS 6 -1.313 -3.952 -3.550 41 HA CYS 6 HA CYS 6 -3.840 -4.961 -4.776 42 HB2 CYS 6 1HB CYS 6 -1.391 -3.640 -5.976 43 HB3 CYS 6 2HB CYS 6 -2.726 -4.331 -6.928 44 H CYS 7 H CYS 7 -0.302 -5.711 -4.615 45 HA CYS 7 HA CYS 7 -0.689 -8.050 -6.353 46 HB2 CYS 7 1HB CYS 7 1.514 -6.779 -5.893 47 HB3 CYS 7 2HB CYS 7 1.573 -7.704 -4.374 48 H THR 8 H THR 8 -0.190 -7.553 -2.839 49 HA THR 8 HA THR 8 -0.783 -10.307 -2.205 50 HB THR 8 HB THR 8 -0.849 -7.891 -0.348 51 HG1 THR 8 HG1 THR 8 1.446 -9.465 -0.769 52 HG21 THR 8 1HG2 THR 8 -0.075 -9.499 1.336 53 HG22 THR 8 2HG2 THR 8 -0.132 -10.808 0.122 54 HG23 THR 8 3HG2 THR 8 -1.633 -10.009 0.646 55 H SER 9 H SER 9 -2.714 -7.273 -1.983 56 HA SER 9 HA SER 9 -5.066 -8.939 -1.168 57 HB2 SER 9 1HB SER 9 -4.614 -6.014 -0.603 58 HB3 SER 9 2HB SER 9 -5.832 -7.088 0.104 59 HG SER 9 HG SER 9 -3.062 -6.934 0.591 60 H ILE 10 H ILE 10 -7.147 -7.354 -1.464 61 HA ILE 10 HA ILE 10 -7.348 -6.995 -4.400 62 HB ILE 10 HB ILE 10 -9.463 -6.910 -2.170 63 HG12 ILE 10 1HG1 ILE 10 -8.564 -9.172 -2.569 64 HG13 ILE 10 2HG1 ILE 10 -10.259 -9.036 -2.988 65 HG21 ILE 10 1HG2 ILE 10 -11.128 -7.021 -4.120 66 HG22 ILE 10 2HG2 ILE 10 -10.275 -5.480 -3.949 67 HG23 ILE 10 3HG2 ILE 10 -9.772 -6.635 -5.210 68 HD11 ILE 10 3HD1 ILE 10 -9.030 -10.398 -4.617 69 HD12 ILE 10 1HD1 ILE 10 -9.728 -8.956 -5.384 70 HD13 ILE 10 2HD1 ILE 10 -7.994 -9.014 -4.996 71 H CYS 11 H CYS 11 -7.357 -4.973 -5.288 72 HA CYS 11 HA CYS 11 -8.001 -2.693 -3.498 73 HB2 CYS 11 1HB CYS 11 -6.181 -1.386 -4.468 74 HB3 CYS 11 2HB CYS 11 -5.550 -2.846 -3.704 75 H SER 12 H SER 12 -8.761 -0.804 -4.702 76 HA SER 12 HA SER 12 -9.958 -1.569 -7.328 77 HB2 SER 12 1HB SER 12 -10.988 0.425 -5.274 78 HB3 SER 12 2HB SER 12 -11.818 -0.130 -6.727 79 HG SER 12 HG SER 12 -12.498 -1.170 -4.743 80 H LEU 13 H LEU 13 -10.570 0.505 -8.581 81 HA LEU 13 HA LEU 13 -8.234 1.890 -9.283 82 HB2 LEU 13 1HB LEU 13 -9.699 3.352 -10.538 83 HB3 LEU 13 2HB LEU 13 -10.091 1.678 -10.794 84 HG LEU 13 HG LEU 13 -11.713 3.411 -8.932 85 HD11 LEU 13 1HD1 LEU 13 -11.485 4.643 -11.028 86 HD12 LEU 13 2HD1 LEU 13 -13.125 3.963 -10.884 87 HD13 LEU 13 3HD1 LEU 13 -11.936 3.174 -11.935 88 HD21 LEU 13 3HD2 LEU 13 -13.577 1.905 -9.747 89 HD22 LEU 13 1HD2 LEU 13 -12.310 1.042 -8.843 90 HD23 LEU 13 2HD2 LEU 13 -12.353 0.950 -10.611 91 H TYR 14 H TYR 14 -10.657 2.623 -6.832 92 HA TYR 14 HA TYR 14 -10.041 5.350 -6.357 93 HB2 TYR 14 1HB TYR 14 -11.994 4.013 -5.462 94 HB3 TYR 14 2HB TYR 14 -10.882 3.272 -4.312 95 HD1 TYR 14 HD2 TYR 14 -12.619 6.401 -5.301 96 HD2 TYR 14 HD1 TYR 14 -10.016 4.561 -2.411 97 HE1 TYR 14 HE2 TYR 14 -12.906 8.368 -3.777 98 HE2 TYR 14 HE1 TYR 14 -10.314 6.525 -0.900 99 HH TYR 14 HH TYR 14 -11.303 8.572 -0.627 100 H GLN 15 H GLN 15 -8.701 2.346 -4.842 101 HA GLN 15 HA GLN 15 -6.820 3.824 -3.230 102 HB2 GLN 15 1HB GLN 15 -6.902 0.905 -4.138 103 HB3 GLN 15 2HB GLN 15 -5.632 1.594 -3.120 104 HG2 GLN 15 1HG GLN 15 -7.034 0.639 -1.548 105 HG3 GLN 15 2HG GLN 15 -7.514 2.333 -1.524 106 HE21 GLN 15 2HE2 GLN 15 -9.372 1.132 -0.441 107 HE22 GLN 15 1HE2 GLN 15 -10.688 0.677 -1.495 108 H LEU 16 H LEU 16 -6.725 2.339 -6.506 109 HA LEU 16 HA LEU 16 -3.929 2.586 -6.862 110 HB2 LEU 16 1HB LEU 16 -6.241 2.273 -8.633 111 HB3 LEU 16 2HB LEU 16 -4.856 3.086 -9.370 112 HG LEU 16 HG LEU 16 -3.417 1.156 -8.508 113 HD11 LEU 16 1HD1 LEU 16 -4.949 0.200 -6.878 114 HD12 LEU 16 2HD1 LEU 16 -4.613 -0.977 -8.162 115 HD13 LEU 16 3HD1 LEU 16 -6.153 -0.103 -8.148 116 HD21 LEU 16 3HD2 LEU 16 -4.040 1.418 -10.832 117 HD22 LEU 16 1HD2 LEU 16 -5.568 0.585 -10.542 118 HD23 LEU 16 2HD2 LEU 16 -4.033 -0.298 -10.378 119 H GLU 17 H GLU 17 -6.491 5.014 -7.316 120 HA GLU 17 HA GLU 17 -4.825 6.934 -8.594 121 HB2 GLU 17 1HB GLU 17 -7.226 7.282 -6.759 122 HB3 GLU 17 2HB GLU 17 -6.378 8.634 -7.515 123 HG2 GLU 17 1HG GLU 17 -6.764 7.259 -9.705 124 HG3 GLU 17 2HG GLU 17 -8.083 6.545 -8.783 125 HE2 GLU 17 HE2 GLU 17 -9.213 8.162 -7.610 126 H ASN 18 H ASN 18 -5.000 5.980 -5.155 127 HA ASN 18 HA ASN 18 -3.702 8.372 -4.183 128 HB2 ASN 18 1HB ASN 18 -3.755 5.543 -3.040 129 HB3 ASN 18 2HB ASN 18 -3.196 6.970 -2.171 130 HD21 ASN 18 2HD2 ASN 18 -5.352 5.149 -1.518 131 HD22 ASN 18 1HD2 ASN 18 -6.791 6.108 -1.431 132 H TYR 19 H TYR 19 -2.605 5.572 -5.886 133 HA TYR 19 HA TYR 19 0.215 5.911 -5.030 134 HB2 TYR 19 1HB TYR 19 -1.028 4.038 -7.061 135 HB3 TYR 19 2HB TYR 19 0.608 3.913 -6.374 136 HD1 TYR 19 HD2 TYR 19 0.041 4.420 -3.463 137 HD2 TYR 19 HD1 TYR 19 -2.139 2.100 -6.345 138 HE1 TYR 19 HE2 TYR 19 -0.984 3.101 -1.632 139 HE2 TYR 19 HE1 TYR 19 -3.171 0.789 -4.498 140 HH TYR 19 HH TYR 19 -3.377 0.524 -2.241 141 H CYS 20 H CYS 20 -1.734 7.593 -6.956 142 HA CYS 20 HA CYS 20 0.418 8.099 -8.994 143 HB2 CYS 20 1HB CYS 20 -1.650 7.074 -9.925 144 HB3 CYS 20 2HB CYS 20 -2.578 8.434 -9.277 145 H ASN 21 H ASN 21 -2.240 9.437 -7.055 146 HA ASN 21 HA ASN 21 -2.692 11.453 -6.130 147 HB2 ASN 21 1HB ASN 21 -0.275 11.187 -5.258 148 HB3 ASN 21 2HB ASN 21 0.190 12.348 -6.494 149 HD21 ASN 21 2HD2 ASN 21 0.243 12.472 -3.581 150 HD22 ASN 21 1HD2 ASN 21 -0.700 13.893 -3.153 151 HXT ASN 21 H02 ASN 21 -0.492 12.178 -8.530 152 H1 PHE 1 2H0 PHE 1 -12.002 -0.459 -16.226 153 H2 PHE 1 1H0 PHE 1 -12.956 -1.781 -16.057 154 HA PHE 1 HA PHE 1 -10.940 -1.955 -14.668 155 HB2 PHE 1 1HB PHE 1 -10.966 0.619 -14.451 156 HB3 PHE 1 2HB PHE 1 -12.149 0.402 -13.173 157 HD1 PHE 1 HD2 PHE 1 -11.374 -1.389 -11.262 158 HD2 PHE 1 HD1 PHE 1 -8.744 0.788 -13.881 159 HE1 PHE 1 HE2 PHE 1 -9.506 -1.749 -9.689 160 HE2 PHE 1 HE1 PHE 1 -6.876 0.451 -12.292 161 HZ PHE 1 HZ PHE 1 -7.263 -0.835 -10.179 162 H VAL 2 H VAL 2 -11.126 -3.590 -13.354 163 HA VAL 2 HA VAL 2 -13.445 -3.622 -11.477 164 HB VAL 2 HB VAL 2 -13.861 -5.298 -13.263 165 HG11 VAL 2 1HG1 VAL 2 -12.441 -7.273 -13.566 166 HG12 VAL 2 2HG1 VAL 2 -11.553 -5.787 -13.950 167 HG13 VAL 2 3HG1 VAL 2 -11.292 -6.622 -12.395 168 HG21 VAL 2 3HG2 VAL 2 -14.589 -5.759 -10.909 169 HG22 VAL 2 1HG2 VAL 2 -14.290 -7.232 -11.852 170 HG23 VAL 2 2HG2 VAL 2 -13.079 -6.681 -10.654 171 H ASN 3 H ASN 3 -12.963 -4.255 -9.403 172 HA ASN 3 HA ASN 3 -10.182 -3.953 -8.608 173 HB2 ASN 3 1HB ASN 3 -11.092 -4.296 -6.329 174 HB3 ASN 3 2HB ASN 3 -11.927 -3.022 -7.224 175 HD21 ASN 3 2HD2 ASN 3 -12.332 -5.757 -5.348 176 HD22 ASN 3 1HD2 ASN 3 -13.986 -6.082 -5.769 177 H GLN 4 H GLN 4 -8.713 -5.472 -8.203 178 HA GLN 4 HA GLN 4 -9.377 -8.291 -7.730 179 HB2 GLN 4 1HB GLN 4 -8.418 -9.097 -9.847 180 HB3 GLN 4 2HB GLN 4 -9.832 -8.069 -10.162 181 HG2 GLN 4 1HG GLN 4 -8.263 -6.143 -10.594 182 HG3 GLN 4 2HG GLN 4 -6.919 -7.278 -10.451 183 HE21 GLN 4 2HE2 GLN 4 -9.013 -5.759 -12.523 184 HE22 GLN 4 1HE2 GLN 4 -8.771 -6.803 -13.927 185 H HIS 5 H HIS 5 -7.131 -9.518 -8.004 186 HA HIS 5 HA HIS 5 -5.089 -7.975 -6.600 187 HB2 HIS 5 1HB HIS 5 -5.129 -10.748 -7.827 188 HB3 HIS 5 2HB HIS 5 -3.717 -10.050 -7.025 189 HD1 HIS 5 HD1 HIS 5 -3.979 -9.503 -4.413 190 HD2 HIS 5 HD2 HIS 5 -7.044 -11.814 -6.109 191 HE1 HIS 5 HE1 HIS 5 -5.293 -10.527 -2.484 192 HE2 HIS 5 HE2 HIS 5 -7.082 -11.986 -3.523 193 H LEU 6 H LEU 6 -3.408 -6.931 -7.546 194 HA LEU 6 HA LEU 6 -2.960 -7.309 -10.476 195 HB2 LEU 6 1HB LEU 6 -3.356 -4.727 -8.935 196 HB3 LEU 6 2HB LEU 6 -2.602 -4.798 -10.529 197 HG LEU 6 HG LEU 6 -5.345 -5.908 -10.075 198 HD11 LEU 6 1HD1 LEU 6 -5.457 -3.640 -9.257 199 HD12 LEU 6 2HD1 LEU 6 -6.246 -3.704 -10.831 200 HD13 LEU 6 3HD1 LEU 6 -4.599 -3.032 -10.686 201 HD21 LEU 6 3HD2 LEU 6 -3.893 -4.854 -12.521 202 HD22 LEU 6 1HD2 LEU 6 -5.609 -5.342 -12.485 203 HD23 LEU 6 2HD2 LEU 6 -4.342 -6.535 -12.168 204 H CYS 7 H CYS 7 -0.835 -7.353 -11.005 205 HA CYS 7 HA CYS 7 1.156 -6.292 -9.090 206 HB2 CYS 7 1HB CYS 7 0.425 -8.814 -8.656 207 HB3 CYS 7 2HB CYS 7 1.542 -9.138 -9.971 208 H GLY 8 H GLY 8 3.378 -6.444 -10.044 209 HA2 GLY 8 1HA GLY 8 4.781 -5.860 -11.780 210 HA3 GLY 8 2HA GLY 8 4.017 -7.248 -12.591 211 H SER 9 H SER 9 4.019 -6.558 -14.637 212 HA SER 9 HA SER 9 3.455 -3.944 -15.512 213 HB2 SER 9 1HB SER 9 2.693 -6.268 -17.231 214 HB3 SER 9 2HB SER 9 3.694 -4.834 -17.620 215 HG SER 9 HG SER 9 5.199 -6.382 -17.387 216 H HIS 10 H HIS 10 1.255 -6.563 -14.605 217 HA HIS 10 HA HIS 10 -1.067 -5.450 -15.880 218 HB2 HIS 10 1HB HIS 10 -0.582 -7.812 -14.782 219 HB3 HIS 10 2HB HIS 10 -1.294 -7.048 -13.350 220 HD1 HIS 10 HD1 HIS 10 -3.008 -9.274 -14.321 221 HD2 HIS 10 HD2 HIS 10 -3.154 -5.478 -16.093 222 HE1 HIS 10 HE1 HIS 10 -5.246 -9.090 -15.514 223 HE2 HIS 10 HE2 HIS 10 -5.335 -6.806 -16.566 224 H LEU 11 H LEU 11 0.478 -5.041 -12.686 225 HA LEU 11 HA LEU 11 -1.536 -3.289 -11.562 226 HB2 LEU 11 1HB LEU 11 0.947 -4.328 -10.768 227 HB3 LEU 11 2HB LEU 11 1.202 -2.591 -10.817 228 HG LEU 11 HG LEU 11 -0.868 -4.081 -9.192 229 HD11 LEU 11 1HD1 LEU 11 0.416 -3.297 -7.284 230 HD12 LEU 11 2HD1 LEU 11 1.535 -2.439 -8.366 231 HD13 LEU 11 3HD1 LEU 11 1.458 -4.209 -8.377 232 HD21 LEU 11 3HD2 LEU 11 -1.895 -2.025 -9.882 233 HD22 LEU 11 1HD2 LEU 11 -0.430 -1.115 -9.507 234 HD23 LEU 11 2HD2 LEU 11 -1.376 -1.858 -8.191 235 H VAL 12 H VAL 12 1.457 -2.751 -13.471 236 HA VAL 12 HA VAL 12 1.287 0.092 -13.463 237 HB VAL 12 HB VAL 12 2.488 -1.729 -15.586 238 HG11 VAL 12 1HG1 VAL 12 2.929 1.236 -15.093 239 HG12 VAL 12 2HG1 VAL 12 3.869 0.226 -16.207 240 HG13 VAL 12 3HG1 VAL 12 2.138 0.504 -16.511 241 HG21 VAL 12 3HG2 VAL 12 3.463 -2.050 -13.311 242 HG22 VAL 12 1HG2 VAL 12 4.625 -1.297 -14.423 243 HG23 VAL 12 2HG2 VAL 12 3.771 -0.307 -13.220 244 H GLU 13 H GLU 13 -0.054 -2.308 -15.763 245 HA GLU 13 HA GLU 13 -1.190 -0.467 -17.590 246 HB2 GLU 13 1HB GLU 13 -1.845 -3.279 -16.719 247 HB3 GLU 13 2HB GLU 13 -2.970 -2.424 -17.770 248 HG2 GLU 13 1HG GLU 13 -1.242 -2.106 -19.419 249 HG3 GLU 13 2HG GLU 13 -0.064 -2.901 -18.365 250 HE2 GLU 13 HE2 GLU 13 -1.475 -6.028 -18.876 251 H ALA 14 H ALA 14 -2.572 -1.904 -14.601 252 HA ALA 14 HA ALA 14 -5.117 -0.620 -14.902 253 HB1 ALA 14 3HB ALA 14 -4.723 -2.528 -13.425 254 HB2 ALA 14 1HB ALA 14 -3.642 -1.504 -12.416 255 HB3 ALA 14 2HB ALA 14 -5.371 -1.124 -12.536 256 H LEU 15 H LEU 15 -2.094 0.402 -13.293 257 HA LEU 15 HA LEU 15 -3.164 2.823 -12.205 258 HB2 LEU 15 1HB LEU 15 -0.611 1.499 -12.456 259 HB3 LEU 15 2HB LEU 15 -0.441 3.184 -12.875 260 HG LEU 15 HG LEU 15 -1.650 2.176 -10.287 261 HD11 LEU 15 1HD1 LEU 15 0.459 2.933 -9.269 262 HD12 LEU 15 2HD1 LEU 15 1.113 3.330 -10.878 263 HD13 LEU 15 3HD1 LEU 15 0.737 1.645 -10.454 264 HD21 LEU 15 3HD2 LEU 15 -1.366 4.525 -9.540 265 HD22 LEU 15 1HD2 LEU 15 -2.509 4.392 -10.871 266 HD23 LEU 15 2HD2 LEU 15 -0.859 4.992 -11.174 267 H TYR 16 H TYR 16 -1.741 2.050 -15.370 268 HA TYR 16 HA TYR 16 -1.637 4.773 -16.304 269 HB2 TYR 16 1HB TYR 16 -0.362 3.039 -17.410 270 HB3 TYR 16 2HB TYR 16 -1.836 2.093 -17.727 271 HD1 TYR 16 HD2 TYR 16 -0.124 5.306 -18.598 272 HD2 TYR 16 HD1 TYR 16 -3.203 2.489 -19.641 273 HE1 TYR 16 HE2 TYR 16 -0.461 6.466 -20.776 274 HE2 TYR 16 HE1 TYR 16 -3.530 3.644 -21.803 275 HH TYR 16 HH TYR 16 -2.873 5.356 -23.161 276 H LEU 17 H LEU 17 -4.138 2.178 -16.472 277 HA LEU 17 HA LEU 17 -5.836 3.696 -18.215 278 HB2 LEU 17 1HB LEU 17 -6.383 1.404 -16.266 279 HB3 LEU 17 2HB LEU 17 -7.625 2.093 -17.353 280 HG LEU 17 HG LEU 17 -5.013 1.026 -18.448 281 HD11 LEU 17 1HD1 LEU 17 -6.101 -1.117 -18.853 282 HD12 LEU 17 2HD1 LEU 17 -7.573 -0.567 -18.004 283 HD13 LEU 17 3HD1 LEU 17 -6.034 -0.773 -17.115 284 HD21 LEU 17 3HD2 LEU 17 -6.331 0.724 -20.496 285 HD22 LEU 17 1HD2 LEU 17 -6.352 2.411 -19.943 286 HD23 LEU 17 2HD2 LEU 17 -7.773 1.380 -19.666 287 H VAL 18 H VAL 18 -5.664 3.385 -14.631 288 HA VAL 18 HA VAL 18 -8.002 5.100 -14.392 289 HB VAL 18 HB VAL 18 -7.516 3.308 -12.732 290 HG11 VAL 18 1HG1 VAL 18 -5.780 3.398 -11.179 291 HG12 VAL 18 2HG1 VAL 18 -5.023 3.719 -12.735 292 HG13 VAL 18 3HG1 VAL 18 -5.326 5.053 -11.611 293 HG21 VAL 18 3HG2 VAL 18 -8.963 5.142 -12.055 294 HG22 VAL 18 1HG2 VAL 18 -7.959 4.626 -10.683 295 HG23 VAL 18 2HG2 VAL 18 -7.564 6.111 -11.554 296 H CYS 19 H CYS 19 -4.489 5.648 -14.283 297 HA CYS 19 HA CYS 19 -5.135 8.515 -13.664 298 HB2 CYS 19 1HB CYS 19 -3.986 7.072 -11.906 299 HB3 CYS 19 2HB CYS 19 -2.549 7.173 -12.939 300 H GLY 20 H GLY 20 -3.026 6.421 -15.596 301 HA2 GLY 20 1HA GLY 20 -1.307 8.515 -16.527 302 HA3 GLY 20 2HA GLY 20 -1.617 6.981 -17.379 303 H GLU 21 H GLU 21 -4.408 7.293 -17.689 304 HA GLU 21 HA GLU 21 -4.450 8.950 -20.052 305 HB2 GLU 21 1HB GLU 21 -6.659 7.543 -18.553 306 HB3 GLU 21 2HB GLU 21 -6.847 8.297 -20.131 307 HG2 GLU 21 1HG GLU 21 -5.014 6.755 -20.976 308 HG3 GLU 21 2HG GLU 21 -5.083 5.901 -19.429 309 HE2 GLU 21 HE2 GLU 21 -7.648 5.125 -22.201 310 H ARG 22 H ARG 22 -4.864 9.808 -16.758 311 HA ARG 22 HA ARG 22 -6.736 12.002 -17.200 312 HB2 ARG 22 1HB ARG 22 -4.828 11.414 -14.957 313 HB3 ARG 22 2HB ARG 22 -5.968 12.753 -14.970 314 HG2 ARG 22 1HG ARG 22 -7.832 11.246 -14.985 315 HG3 ARG 22 2HG ARG 22 -6.769 9.847 -15.154 316 HD2 ARG 22 1HD ARG 22 -7.251 10.013 -12.873 317 HD3 ARG 22 2HD ARG 22 -5.598 10.585 -13.137 318 HE ARG 22 HE ARG 22 -7.565 12.713 -13.148 319 HH11 ARG 22 1HH1 ARG 22 -5.487 10.803 -11.037 320 HH12 ARG 22 2HH1 ARG 22 -5.435 12.051 -9.812 321 HH21 ARG 22 1HH2 ARG 22 -7.492 14.232 -11.495 322 HH22 ARG 22 2HH2 ARG 22 -6.578 13.931 -10.078 323 H GLY 23 H GLY 23 -3.313 11.475 -17.457 324 HA2 GLY 23 1HA GLY 23 -2.081 13.045 -18.862 325 HA3 GLY 23 2HA GLY 23 -2.961 14.378 -18.089 326 H GLY 24 H GLY 24 -0.513 11.843 -17.585 327 HA2 GLY 24 1HA GLY 24 1.319 13.457 -16.223 328 HA3 GLY 24 2HA GLY 24 0.280 12.768 -14.960 329 H PHE 25 H PHE 25 0.955 10.970 -14.134 330 HA PHE 25 HA PHE 25 1.877 8.932 -13.778 331 HB2 PHE 25 1HB PHE 25 0.539 8.526 -16.005 332 HB3 PHE 25 2HB PHE 25 2.133 8.377 -16.747 333 HD1 PHE 25 HD1 PHE 25 0.674 7.241 -13.457 334 HD2 PHE 25 HD2 PHE 25 2.620 6.124 -17.124 335 HE1 PHE 25 HE1 PHE 25 0.808 4.909 -12.670 336 HE2 PHE 25 HE2 PHE 25 2.760 3.767 -16.357 337 HZ PHE 25 HZ PHE 25 1.844 3.147 -14.107 338 H TYR 26 H TYR 26 3.796 7.406 -14.580 339 HA TYR 26 HA TYR 26 6.181 9.167 -14.857 340 HB2 TYR 26 1HB TYR 26 7.278 7.837 -13.140 341 HB3 TYR 26 2HB TYR 26 5.840 8.635 -12.506 342 HD1 TYR 26 HD2 TYR 26 3.784 7.326 -11.977 343 HD2 TYR 26 HD1 TYR 26 7.434 5.396 -13.236 344 HE1 TYR 26 HE2 TYR 26 2.921 5.144 -11.141 345 HE2 TYR 26 HE1 TYR 26 6.562 3.213 -12.370 346 HH TYR 26 HH TYR 26 4.871 2.162 -11.302 347 H NVA 27 H ARX 27 4.619 6.170 -15.536 348 HA NVA 27 HA ARX 27 5.072 4.268 -16.635 349 HB2 NVA 27 1HB ARX 27 4.824 6.245 -18.407 350 HB3 NVA 27 2HB ARX 27 6.455 5.755 -18.843 351 HG2 NVA 27 1HG ARX 27 5.272 3.270 -18.733 352 HG3 NVA 27 2HG ARX 27 3.818 4.217 -19.023 353 HD2 NVA 27 1HD ARX 27 4.582 3.512 -21.133 354 HD3 NVA 27 2HD ARX 27 5.050 5.191 -21.090 355 HA PRO 28 HA PRO 28 9.374 3.051 -15.624 356 HB2 PRO 28 1HB PRO 28 8.895 0.535 -14.729 357 HB3 PRO 28 2HB PRO 28 8.436 1.967 -13.762 358 HG2 PRO 28 1HG PRO 28 6.736 0.278 -15.568 359 HG3 PRO 28 2HG PRO 28 6.387 0.844 -13.901 360 HD2 PRO 28 1HD PRO 28 5.424 2.083 -16.191 361 HD3 PRO 28 2HD PRO 28 5.732 2.942 -14.645 362 H HIX 29 H HIX 29 9.551 3.293 -18.010 363 HA HIX 29 HA HIX 29 9.096 1.068 -19.780 364 HB1 HIX 29 1HB HIX 29 10.577 3.671 -20.170 365 HB2 HIX 29 2HB HIX 29 10.619 2.407 -21.399 366 HD2 HIX 29 HD2 HIX 29 7.531 3.699 -19.146 367 HD1 HIX 29 HD1 HIX 29 8.637 3.016 -23.162 368 H THR 30 H THR 30 10.217 -0.486 -20.552 369 HA THR 30 HA THR 30 13.035 -1.000 -19.810 370 HB THR 30 HB THR 30 12.271 -3.348 -18.946 371 HG1 THR 30 HG1 THR 30 9.837 -1.857 -18.665 372 HG21 THR 30 1HG2 THR 30 11.423 -0.919 -17.246 373 HG22 THR 30 2HG2 THR 30 13.062 -1.609 -17.316 374 HG23 THR 30 3HG2 THR 30 11.736 -2.569 -16.648 375 HXT THR 30 H02 THR 30 13.143 -2.798 -22.597 Start of MODEL 16 1 H1 GLY 1 2H0 GLY 1 1.613 0.727 1.095 2 H2 GLY 1 1H0 GLY 1 2.019 -0.834 1.403 3 HA2 GLY 1 1HA GLY 1 3.167 0.934 -0.692 4 HA3 GLY 1 2HA GLY 1 3.847 -0.651 -0.289 5 H ILE 2 H ILE 2 2.849 0.351 -2.793 6 HA ILE 2 HA ILE 2 0.284 -0.527 -3.476 7 HB ILE 2 HB ILE 2 1.773 0.928 -4.895 8 HG12 ILE 2 1HG1 ILE 2 1.235 -0.220 -7.118 9 HG13 ILE 2 2HG1 ILE 2 0.563 -1.534 -6.169 10 HG21 ILE 2 1HG2 ILE 2 3.492 -0.061 -6.343 11 HG22 ILE 2 2HG2 ILE 2 3.897 -0.391 -4.653 12 HG23 ILE 2 3HG2 ILE 2 3.197 -1.678 -5.675 13 HD11 ILE 2 3HD1 ILE 2 -1.047 0.116 -5.111 14 HD12 ILE 2 1HD1 ILE 2 -0.389 1.339 -6.239 15 HD13 ILE 2 2HD1 ILE 2 -1.226 -0.077 -6.873 16 H VAL 3 H VAL 3 3.240 -2.453 -3.186 17 HA VAL 3 HA VAL 3 2.217 -4.766 -4.518 18 HB VAL 3 HB VAL 3 4.366 -4.422 -2.376 19 HG11 VAL 3 1HG1 VAL 3 3.712 -6.900 -4.048 20 HG12 VAL 3 2HG1 VAL 3 5.158 -6.706 -3.044 21 HG13 VAL 3 3HG1 VAL 3 3.566 -6.756 -2.266 22 HG21 VAL 3 3HG2 VAL 3 4.894 -3.328 -4.519 23 HG22 VAL 3 1HG2 VAL 3 5.944 -4.733 -4.318 24 HG23 VAL 3 2HG2 VAL 3 4.537 -4.820 -5.412 25 H GLU 4 H GLU 4 2.228 -3.767 -1.064 26 HA GLU 4 HA GLU 4 0.881 -6.155 -0.203 27 HB2 GLU 4 1HB GLU 4 1.188 -3.432 1.101 28 HB3 GLU 4 2HB GLU 4 0.414 -4.838 1.880 29 HG2 GLU 4 1HG GLU 4 3.283 -4.667 0.930 30 HG3 GLU 4 2HG GLU 4 2.730 -4.642 2.603 31 HE2 GLU 4 HE2 GLU 4 1.260 -6.405 2.978 32 H GLN 5 H GLN 5 -0.200 -3.127 -1.557 33 HA GLN 5 HA GLN 5 -2.926 -3.450 -0.624 34 HB2 GLN 5 1HB GLN 5 -1.683 -1.289 -1.233 35 HB3 GLN 5 2HB GLN 5 -1.997 -1.711 -2.917 36 HG2 GLN 5 1HG GLN 5 -3.764 -0.281 -2.369 37 HG3 GLN 5 2HG GLN 5 -4.474 -1.883 -2.179 38 HE21 GLN 5 2HE2 GLN 5 -5.036 -2.655 -0.122 39 HE22 GLN 5 1HE2 GLN 5 -5.041 -1.594 1.276 40 H CYS 6 H CYS 6 -1.198 -4.058 -3.717 41 HA CYS 6 HA CYS 6 -3.779 -5.070 -4.821 42 HB2 CYS 6 1HB CYS 6 -1.330 -3.936 -6.162 43 HB3 CYS 6 2HB CYS 6 -2.681 -4.662 -7.025 44 H CYS 7 H CYS 7 -0.330 -6.049 -4.488 45 HA CYS 7 HA CYS 7 -0.860 -8.376 -6.218 46 HB2 CYS 7 1HB CYS 7 1.458 -7.822 -4.318 47 HB3 CYS 7 2HB CYS 7 1.401 -9.087 -5.539 48 H THR 8 H THR 8 -0.312 -7.655 -2.772 49 HA THR 8 HA THR 8 -0.879 -10.310 -1.857 50 HB THR 8 HB THR 8 -0.999 -7.680 -0.321 51 HG1 THR 8 HG1 THR 8 1.309 -8.440 0.066 52 HG21 THR 8 1HG2 THR 8 -1.781 -9.632 0.956 53 HG22 THR 8 2HG2 THR 8 -0.218 -9.034 1.554 54 HG23 THR 8 3HG2 THR 8 -0.267 -10.500 0.543 55 H SER 9 H SER 9 -2.911 -7.318 -1.955 56 HA SER 9 HA SER 9 -5.263 -9.055 -1.301 57 HB2 SER 9 1HB SER 9 -6.213 -7.142 -0.063 58 HB3 SER 9 2HB SER 9 -4.688 -7.708 0.625 59 HG SER 9 HG SER 9 -4.694 -5.589 -1.256 60 H ILE 10 H ILE 10 -7.328 -7.521 -1.630 61 HA ILE 10 HA ILE 10 -7.430 -7.049 -4.543 62 HB ILE 10 HB ILE 10 -9.528 -6.797 -2.328 63 HG12 ILE 10 1HG1 ILE 10 -8.744 -9.124 -2.677 64 HG13 ILE 10 2HG1 ILE 10 -10.446 -8.894 -3.085 65 HG21 ILE 10 1HG2 ILE 10 -9.813 -6.540 -5.354 66 HG22 ILE 10 2HG2 ILE 10 -11.192 -6.813 -4.257 67 HG23 ILE 10 3HG2 ILE 10 -10.213 -5.335 -4.109 68 HD11 ILE 10 3HD1 ILE 10 -9.938 -8.914 -5.468 69 HD12 ILE 10 1HD1 ILE 10 -8.200 -9.031 -5.134 70 HD13 ILE 10 2HD1 ILE 10 -9.287 -10.368 -4.699 71 H CYS 11 H CYS 11 -7.358 -4.991 -5.440 72 HA CYS 11 HA CYS 11 -7.768 -2.680 -3.595 73 HB2 CYS 11 1HB CYS 11 -5.955 -1.480 -4.702 74 HB3 CYS 11 2HB CYS 11 -5.360 -2.954 -3.933 75 H SER 12 H SER 12 -8.498 -0.785 -4.656 76 HA SER 12 HA SER 12 -9.954 -1.388 -7.233 77 HB2 SER 12 1HB SER 12 -11.415 -1.186 -5.209 78 HB3 SER 12 2HB SER 12 -10.790 0.443 -4.926 79 HG SER 12 HG SER 12 -12.838 0.240 -6.132 80 H LEU 13 H LEU 13 -10.473 0.567 -8.476 81 HA LEU 13 HA LEU 13 -8.231 2.085 -9.194 82 HB2 LEU 13 1HB LEU 13 -9.796 3.472 -10.437 83 HB3 LEU 13 2HB LEU 13 -10.149 1.763 -10.635 84 HG LEU 13 HG LEU 13 -11.796 2.727 -8.524 85 HD11 LEU 13 1HD1 LEU 13 -11.425 5.010 -9.378 86 HD12 LEU 13 2HD1 LEU 13 -13.080 4.470 -9.730 87 HD13 LEU 13 3HD1 LEU 13 -11.871 4.457 -11.021 88 HD21 LEU 13 3HD2 LEU 13 -12.222 0.854 -10.103 89 HD22 LEU 13 1HD2 LEU 13 -12.432 2.038 -11.410 90 HD23 LEU 13 2HD2 LEU 13 -13.567 2.022 -10.049 91 H TYR 14 H TYR 14 -10.702 2.755 -6.813 92 HA TYR 14 HA TYR 14 -10.238 5.498 -6.341 93 HB2 TYR 14 1HB TYR 14 -12.088 3.947 -5.478 94 HB3 TYR 14 2HB TYR 14 -10.917 3.388 -4.288 95 HD1 TYR 14 HD1 TYR 14 -12.978 6.269 -5.384 96 HD2 TYR 14 HD2 TYR 14 -10.297 4.754 -2.368 97 HE1 TYR 14 HE1 TYR 14 -13.611 8.158 -3.860 98 HE2 TYR 14 HE2 TYR 14 -10.933 6.654 -0.860 99 HH TYR 14 HH TYR 14 -12.206 8.546 -0.622 100 H GLN 15 H GLN 15 -8.584 2.599 -5.040 101 HA GLN 15 HA GLN 15 -6.942 4.255 -3.269 102 HB2 GLN 15 1HB GLN 15 -6.832 1.327 -4.067 103 HB3 GLN 15 2HB GLN 15 -5.796 2.071 -2.837 104 HG2 GLN 15 1HG GLN 15 -7.655 2.491 -1.414 105 HG3 GLN 15 2HG GLN 15 -8.822 2.131 -2.675 106 HE21 GLN 15 2HE2 GLN 15 -7.702 0.971 0.093 107 HE22 GLN 15 1HE2 GLN 15 -7.845 -0.733 -0.207 108 H LEU 16 H LEU 16 -6.691 2.530 -6.341 109 HA LEU 16 HA LEU 16 -3.928 2.736 -6.854 110 HB2 LEU 16 1HB LEU 16 -6.391 2.510 -8.368 111 HB3 LEU 16 2HB LEU 16 -5.064 3.172 -9.307 112 HG LEU 16 HG LEU 16 -5.455 0.775 -9.639 113 HD11 LEU 16 1HD1 LEU 16 -3.138 0.067 -9.401 114 HD12 LEU 16 2HD1 LEU 16 -2.807 1.463 -8.357 115 HD13 LEU 16 3HD1 LEU 16 -3.289 1.696 -10.062 116 HD21 LEU 16 3HD2 LEU 16 -4.550 0.452 -6.772 117 HD22 LEU 16 1HD2 LEU 16 -4.804 -0.855 -7.951 118 HD23 LEU 16 2HD2 LEU 16 -6.173 0.136 -7.414 119 H GLU 17 H GLU 17 -6.499 5.178 -7.332 120 HA GLU 17 HA GLU 17 -4.962 7.100 -8.742 121 HB2 GLU 17 1HB GLU 17 -7.219 7.300 -6.744 122 HB3 GLU 17 2HB GLU 17 -6.536 8.749 -7.491 123 HG2 GLU 17 1HG GLU 17 -7.112 7.924 -9.704 124 HG3 GLU 17 2HG GLU 17 -7.720 6.404 -9.039 125 HE2 GLU 17 HE2 GLU 17 -9.932 9.609 -9.038 126 H ASN 18 H ASN 18 -4.959 6.373 -5.230 127 HA ASN 18 HA ASN 18 -3.529 8.823 -4.536 128 HB2 ASN 18 1HB ASN 18 -3.851 6.159 -3.071 129 HB3 ASN 18 2HB ASN 18 -3.100 7.615 -2.391 130 HD21 ASN 18 2HD2 ASN 18 -5.661 6.018 -1.846 131 HD22 ASN 18 1HD2 ASN 18 -6.879 7.247 -1.744 132 H TYR 19 H TYR 19 -2.559 5.849 -6.026 133 HA TYR 19 HA TYR 19 0.270 6.203 -5.163 134 HB2 TYR 19 1HB TYR 19 -1.064 4.183 -7.001 135 HB3 TYR 19 2HB TYR 19 0.655 4.193 -6.545 136 HD1 TYR 19 HD1 TYR 19 1.286 3.733 -4.144 137 HD2 TYR 19 HD2 TYR 19 -2.742 3.361 -5.530 138 HE1 TYR 19 HE1 TYR 19 0.710 2.389 -2.129 139 HE2 TYR 19 HE2 TYR 19 -3.347 2.028 -3.553 140 HH TYR 19 HH TYR 19 -2.557 1.259 -1.396 141 H CYS 20 H CYS 20 -1.777 7.619 -7.334 142 HA CYS 20 HA CYS 20 0.281 7.829 -9.508 143 HB2 CYS 20 1HB CYS 20 -2.046 7.317 -10.159 144 HB3 CYS 20 2HB CYS 20 -2.613 8.757 -9.328 145 H ASN 21 H ASN 21 -1.677 9.676 -7.190 146 HA ASN 21 HA ASN 21 -0.501 12.248 -7.975 147 HB2 ASN 21 1HB ASN 21 -2.865 12.108 -7.217 148 HB3 ASN 21 2HB ASN 21 -2.347 11.534 -5.634 149 HD21 ASN 21 2HD2 ASN 21 -2.965 13.210 -4.355 150 HD22 ASN 21 1HD2 ASN 21 -2.361 14.825 -4.555 151 HXT ASN 21 H02 ASN 21 2.112 12.259 -5.931 152 H1 PHE 1 2H0 PHE 1 -12.095 -0.355 -15.810 153 H2 PHE 1 1H0 PHE 1 -13.015 -1.709 -15.600 154 HA PHE 1 HA PHE 1 -10.899 -1.943 -14.425 155 HB2 PHE 1 1HB PHE 1 -10.842 0.621 -14.099 156 HB3 PHE 1 2HB PHE 1 -11.960 0.392 -12.790 157 HD1 PHE 1 HD2 PHE 1 -11.087 -1.517 -10.960 158 HD2 PHE 1 HD1 PHE 1 -8.587 0.838 -13.591 159 HE1 PHE 1 HE2 PHE 1 -9.178 -1.864 -9.464 160 HE2 PHE 1 HE1 PHE 1 -6.687 0.535 -12.038 161 HZ PHE 1 HZ PHE 1 -6.975 -0.835 -9.978 162 H VAL 2 H VAL 2 -11.324 -3.833 -13.582 163 HA VAL 2 HA VAL 2 -13.442 -4.016 -11.489 164 HB VAL 2 HB VAL 2 -11.804 -6.236 -12.792 165 HG11 VAL 2 1HG1 VAL 2 -14.162 -6.325 -10.861 166 HG12 VAL 2 2HG1 VAL 2 -13.515 -7.733 -11.740 167 HG13 VAL 2 3HG1 VAL 2 -12.512 -6.896 -10.553 168 HG21 VAL 2 3HG2 VAL 2 -13.331 -5.250 -14.416 169 HG22 VAL 2 1HG2 VAL 2 -13.967 -6.818 -13.906 170 HG23 VAL 2 2HG2 VAL 2 -14.679 -5.321 -13.251 171 H ASN 3 H ASN 3 -12.917 -4.179 -9.405 172 HA ASN 3 HA ASN 3 -10.162 -3.854 -8.539 173 HB2 ASN 3 1HB ASN 3 -11.168 -4.092 -6.257 174 HB3 ASN 3 2HB ASN 3 -11.883 -2.799 -7.227 175 HD21 ASN 3 2HD2 ASN 3 -12.537 -5.421 -5.301 176 HD22 ASN 3 1HD2 ASN 3 -14.203 -5.668 -5.760 177 H GLN 4 H GLN 4 -8.726 -5.427 -8.284 178 HA GLN 4 HA GLN 4 -9.484 -8.160 -7.564 179 HB2 GLN 4 1HB GLN 4 -8.734 -9.143 -9.651 180 HB3 GLN 4 2HB GLN 4 -10.056 -8.029 -9.989 181 HG2 GLN 4 1HG GLN 4 -8.306 -6.310 -10.595 182 HG3 GLN 4 2HG GLN 4 -7.091 -7.584 -10.496 183 HE21 GLN 4 2HE2 GLN 4 -9.559 -6.100 -12.348 184 HE22 GLN 4 1HE2 GLN 4 -9.468 -7.177 -13.736 185 H HIS 5 H HIS 5 -7.292 -9.517 -7.900 186 HA HIS 5 HA HIS 5 -5.146 -8.022 -6.588 187 HB2 HIS 5 1HB HIS 5 -5.204 -10.823 -7.808 188 HB3 HIS 5 2HB HIS 5 -3.850 -10.135 -6.898 189 HD1 HIS 5 HD1 HIS 5 -4.236 -9.654 -4.297 190 HD2 HIS 5 HD2 HIS 5 -7.262 -11.843 -6.234 191 HE1 HIS 5 HE1 HIS 5 -5.665 -10.746 -2.470 192 HE2 HIS 5 HE2 HIS 5 -7.448 -12.091 -3.661 193 H LEU 6 H LEU 6 -3.459 -7.042 -7.564 194 HA LEU 6 HA LEU 6 -3.032 -7.481 -10.477 195 HB2 LEU 6 1HB LEU 6 -3.451 -4.852 -9.028 196 HB3 LEU 6 2HB LEU 6 -2.698 -4.950 -10.615 197 HG LEU 6 HG LEU 6 -5.434 -6.131 -10.155 198 HD11 LEU 6 1HD1 LEU 6 -4.805 -3.220 -10.724 199 HD12 LEU 6 2HD1 LEU 6 -5.652 -3.886 -9.309 200 HD13 LEU 6 3HD1 LEU 6 -6.396 -3.966 -10.914 201 HD21 LEU 6 3HD2 LEU 6 -4.032 -4.957 -12.592 202 HD22 LEU 6 1HD2 LEU 6 -5.693 -5.611 -12.560 203 HD23 LEU 6 2HD2 LEU 6 -4.322 -6.689 -12.253 204 H CYS 7 H CYS 7 -0.888 -7.406 -11.044 205 HA CYS 7 HA CYS 7 1.044 -6.239 -9.191 206 HB2 CYS 7 1HB CYS 7 0.403 -8.783 -8.629 207 HB3 CYS 7 2HB CYS 7 1.586 -9.086 -9.911 208 H GLY 8 H GLY 8 3.310 -6.421 -10.093 209 HA2 GLY 8 1HA GLY 8 4.749 -5.980 -11.830 210 HA3 GLY 8 2HA GLY 8 3.924 -7.319 -12.633 211 H SER 9 H SER 9 3.961 -6.608 -14.699 212 HA SER 9 HA SER 9 3.473 -3.937 -15.550 213 HB2 SER 9 1HB SER 9 3.051 -5.056 -17.772 214 HB3 SER 9 2HB SER 9 4.584 -5.503 -16.987 215 HG SER 9 HG SER 9 3.317 -7.296 -17.821 216 H HIS 10 H HIS 10 1.246 -6.598 -14.752 217 HA HIS 10 HA HIS 10 -1.081 -5.446 -15.960 218 HB2 HIS 10 1HB HIS 10 -0.598 -7.802 -14.856 219 HB3 HIS 10 2HB HIS 10 -1.291 -7.021 -13.427 220 HD1 HIS 10 HD1 HIS 10 -3.086 -9.186 -14.274 221 HD2 HIS 10 HD2 HIS 10 -3.108 -5.510 -16.275 222 HE1 HIS 10 HE1 HIS 10 -5.299 -9.028 -15.509 223 HE2 HIS 10 HE2 HIS 10 -5.311 -6.800 -16.705 224 H LEU 11 H LEU 11 0.493 -5.070 -12.769 225 HA LEU 11 HA LEU 11 -1.509 -3.298 -11.640 226 HB2 LEU 11 1HB LEU 11 0.948 -4.400 -10.822 227 HB3 LEU 11 2HB LEU 11 1.242 -2.670 -10.858 228 HG LEU 11 HG LEU 11 -0.907 -4.071 -9.266 229 HD11 LEU 11 1HD1 LEU 11 0.451 -3.481 -7.335 230 HD12 LEU 11 2HD1 LEU 11 1.619 -2.625 -8.365 231 HD13 LEU 11 3HD1 LEU 11 1.457 -4.384 -8.472 232 HD21 LEU 11 3HD2 LEU 11 -0.148 -1.125 -9.403 233 HD22 LEU 11 1HD2 LEU 11 -1.254 -1.854 -8.220 234 HD23 LEU 11 2HD2 LEU 11 -1.687 -1.850 -9.932 235 H VAL 12 H VAL 12 1.525 -2.729 -13.481 236 HA VAL 12 HA VAL 12 1.377 0.123 -13.419 237 HB VAL 12 HB VAL 12 2.539 -1.668 -15.609 238 HG11 VAL 12 1HG1 VAL 12 3.034 1.277 -15.012 239 HG12 VAL 12 2HG1 VAL 12 3.921 0.307 -16.208 240 HG13 VAL 12 3HG1 VAL 12 2.196 0.623 -16.445 241 HG21 VAL 12 3HG2 VAL 12 4.719 -1.276 -14.483 242 HG22 VAL 12 1HG2 VAL 12 3.896 -0.308 -13.238 243 HG23 VAL 12 2HG2 VAL 12 3.573 -2.047 -13.375 244 H GLU 13 H GLU 13 -0.009 -2.233 -15.733 245 HA GLU 13 HA GLU 13 -1.150 -0.333 -17.530 246 HB2 GLU 13 1HB GLU 13 -1.786 -3.181 -16.713 247 HB3 GLU 13 2HB GLU 13 -2.848 -2.305 -17.823 248 HG2 GLU 13 1HG GLU 13 -1.184 -2.103 -19.478 249 HG3 GLU 13 2HG GLU 13 0.092 -2.570 -18.353 250 HE2 GLU 13 HE2 GLU 13 0.224 -3.811 -20.341 251 H ALA 14 H ALA 14 -2.472 -1.866 -14.536 252 HA ALA 14 HA ALA 14 -5.046 -0.647 -14.788 253 HB1 ALA 14 3HB ALA 14 -3.540 -1.459 -12.280 254 HB2 ALA 14 1HB ALA 14 -5.297 -1.167 -12.420 255 HB3 ALA 14 2HB ALA 14 -4.535 -2.525 -13.276 256 H LEU 15 H LEU 15 -2.073 0.433 -13.136 257 HA LEU 15 HA LEU 15 -3.168 2.849 -12.044 258 HB2 LEU 15 1HB LEU 15 -0.689 1.506 -12.174 259 HB3 LEU 15 2HB LEU 15 -0.393 3.068 -12.915 260 HG LEU 15 HG LEU 15 -1.403 2.555 -10.102 261 HD11 LEU 15 1HD1 LEU 15 0.785 3.502 -9.474 262 HD12 LEU 15 2HD1 LEU 15 1.231 3.547 -11.187 263 HD13 LEU 15 3HD1 LEU 15 0.911 1.987 -10.389 264 HD21 LEU 15 3HD2 LEU 15 -2.395 4.660 -10.976 265 HD22 LEU 15 1HD2 LEU 15 -0.760 5.224 -11.361 266 HD23 LEU 15 2HD2 LEU 15 -1.212 4.931 -9.672 267 H TYR 16 H TYR 16 -1.680 2.074 -15.207 268 HA TYR 16 HA TYR 16 -1.708 4.775 -16.154 269 HB2 TYR 16 1HB TYR 16 -0.312 3.142 -17.244 270 HB3 TYR 16 2HB TYR 16 -1.701 2.093 -17.593 271 HD1 TYR 16 HD2 TYR 16 -0.251 5.476 -18.378 272 HD2 TYR 16 HD1 TYR 16 -2.998 2.362 -19.563 273 HE1 TYR 16 HE2 TYR 16 -0.618 6.619 -20.568 274 HE2 TYR 16 HE1 TYR 16 -3.360 3.529 -21.743 275 HH TYR 16 HH TYR 16 -2.877 5.308 -23.036 276 H LEU 17 H LEU 17 -4.115 2.097 -16.404 277 HA LEU 17 HA LEU 17 -5.781 3.588 -18.236 278 HB2 LEU 17 1HB LEU 17 -6.372 1.325 -16.328 279 HB3 LEU 17 2HB LEU 17 -7.554 1.982 -17.455 280 HG LEU 17 HG LEU 17 -4.899 0.819 -18.346 281 HD11 LEU 17 1HD1 LEU 17 -7.610 -0.538 -18.232 282 HD12 LEU 17 2HD1 LEU 17 -6.217 -0.900 -17.187 283 HD13 LEU 17 3HD1 LEU 17 -6.121 -1.211 -18.933 284 HD21 LEU 17 3HD2 LEU 17 -7.459 1.512 -19.846 285 HD22 LEU 17 1HD2 LEU 17 -6.073 0.634 -20.527 286 HD23 LEU 17 2HD2 LEU 17 -5.860 2.295 -20.000 287 H VAL 18 H VAL 18 -5.693 3.335 -14.674 288 HA VAL 18 HA VAL 18 -8.113 4.964 -14.495 289 HB VAL 18 HB VAL 18 -7.599 3.286 -12.746 290 HG11 VAL 18 1HG1 VAL 18 -5.109 3.695 -12.751 291 HG12 VAL 18 2HG1 VAL 18 -5.422 5.084 -11.692 292 HG13 VAL 18 3HG1 VAL 18 -5.877 3.446 -11.189 293 HG21 VAL 18 3HG2 VAL 18 -8.043 4.669 -10.759 294 HG22 VAL 18 1HG2 VAL 18 -7.657 6.123 -11.702 295 HG23 VAL 18 2HG2 VAL 18 -9.061 5.121 -12.151 296 H CYS 19 H CYS 19 -4.627 5.630 -14.234 297 HA CYS 19 HA CYS 19 -5.361 8.520 -13.877 298 HB2 CYS 19 1HB CYS 19 -4.322 7.225 -11.933 299 HB3 CYS 19 2HB CYS 19 -2.827 7.263 -12.889 300 H GLY 20 H GLY 20 -3.134 6.320 -15.535 301 HA2 GLY 20 1HA GLY 20 -1.375 8.394 -16.420 302 HA3 GLY 20 2HA GLY 20 -1.530 6.788 -17.145 303 H GLU 21 H GLU 21 -4.448 7.192 -17.603 304 HA GLU 21 HA GLU 21 -4.278 8.767 -20.085 305 HB2 GLU 21 1HB GLU 21 -6.581 7.271 -18.773 306 HB3 GLU 21 2HB GLU 21 -6.640 8.034 -20.375 307 HG2 GLU 21 1HG GLU 21 -4.776 6.537 -21.095 308 HG3 GLU 21 2HG GLU 21 -4.850 5.710 -19.530 309 HE2 GLU 21 HE2 GLU 21 -6.786 3.869 -21.869 310 H ARG 22 H ARG 22 -4.404 9.866 -17.062 311 HA ARG 22 HA ARG 22 -6.491 11.953 -17.628 312 HB2 ARG 22 1HB ARG 22 -6.120 10.185 -15.228 313 HB3 ARG 22 2HB ARG 22 -6.533 11.860 -14.932 314 HG2 ARG 22 1HG ARG 22 -8.595 10.847 -14.914 315 HG3 ARG 22 2HG ARG 22 -8.529 11.516 -16.561 316 HD2 ARG 22 1HD ARG 22 -7.448 8.774 -16.323 317 HD3 ARG 22 2HD ARG 22 -9.146 8.882 -15.889 318 HE ARG 22 HE ARG 22 -7.986 9.753 -18.504 319 HH11 ARG 22 1HH1 ARG 22 -10.813 8.665 -16.689 320 HH12 ARG 22 2HH1 ARG 22 -11.805 8.571 -18.113 321 HH21 ARG 22 1HH2 ARG 22 -9.281 9.582 -20.258 322 HH22 ARG 22 2HH2 ARG 22 -10.930 9.064 -20.098 323 H GLY 23 H GLY 23 -3.426 11.181 -15.933 324 HA2 GLY 23 1HA GLY 23 -2.989 14.126 -15.628 325 HA3 GLY 23 2HA GLY 23 -2.462 12.902 -14.457 326 H GLY 24 H GLY 24 -0.309 13.043 -14.561 327 HA2 GLY 24 1HA GLY 24 0.967 13.178 -17.229 328 HA3 GLY 24 2HA GLY 24 1.749 13.565 -15.702 329 H PHE 25 H PHE 25 0.950 11.124 -14.347 330 HA PHE 25 HA PHE 25 1.778 9.043 -13.931 331 HB2 PHE 25 1HB PHE 25 0.606 8.741 -16.257 332 HB3 PHE 25 2HB PHE 25 2.244 8.557 -16.868 333 HD1 PHE 25 HD1 PHE 25 0.455 7.341 -13.775 334 HD2 PHE 25 HD2 PHE 25 2.736 6.342 -17.279 335 HE1 PHE 25 HE1 PHE 25 0.478 4.947 -13.078 336 HE2 PHE 25 HE2 PHE 25 2.752 3.939 -16.606 337 HZ PHE 25 HZ PHE 25 1.633 3.247 -14.487 338 H TYR 26 H TYR 26 3.743 7.459 -14.577 339 HA TYR 26 HA TYR 26 6.180 9.177 -14.671 340 HB2 TYR 26 1HB TYR 26 7.115 7.989 -12.804 341 HB3 TYR 26 2HB TYR 26 5.501 8.569 -12.334 342 HD1 TYR 26 HD1 TYR 26 3.581 6.962 -12.178 343 HD2 TYR 26 HD2 TYR 26 7.596 5.604 -12.957 344 HE1 TYR 26 HE1 TYR 26 2.933 4.629 -11.644 345 HE2 TYR 26 HE2 TYR 26 6.917 3.291 -12.370 346 HH TYR 26 HH TYR 26 5.247 1.914 -11.718 347 H NVA 27 H ARX 27 4.553 6.696 -16.006 348 HA NVA 27 HA ARX 27 5.048 4.646 -16.997 349 HB2 NVA 27 1HB ARX 27 5.042 6.796 -18.570 350 HB3 NVA 27 2HB ARX 27 6.670 6.301 -18.921 351 HG2 NVA 27 1HG ARX 27 5.363 3.870 -19.192 352 HG3 NVA 27 2HG ARX 27 4.041 4.962 -19.567 353 HD2 NVA 27 1HD ARX 27 4.997 4.457 -21.643 354 HD3 NVA 27 2HD ARX 27 5.609 6.098 -21.318 355 HA PRO 28 HA PRO 28 9.202 3.205 -15.704 356 HB2 PRO 28 1HB PRO 28 8.538 0.737 -14.838 357 HB3 PRO 28 2HB PRO 28 8.122 2.191 -13.898 358 HG2 PRO 28 1HG PRO 28 6.375 0.601 -15.782 359 HG3 PRO 28 2HG PRO 28 6.022 1.198 -14.122 360 HD2 PRO 28 1HD PRO 28 5.233 2.512 -16.421 361 HD3 PRO 28 2HD PRO 28 5.547 3.325 -14.845 362 H HIX 29 H HIX 29 9.466 3.478 -18.090 363 HA HIX 29 HA HIX 29 8.997 1.417 -19.996 364 HB1 HIX 29 1HB HIX 29 10.833 3.836 -20.011 365 HB2 HIX 29 2HB HIX 29 10.841 2.675 -21.334 366 HD2 HIX 29 HD2 HIX 29 7.698 4.130 -19.312 367 HD1 HIX 29 HD1 HIX 29 9.187 3.691 -23.220 368 H THR 30 H THR 30 9.541 -0.500 -19.894 369 HA THR 30 HA THR 30 12.349 -1.414 -19.594 370 HB THR 30 HB THR 30 11.430 -3.230 -17.980 371 HG1 THR 30 HG1 THR 30 9.466 -1.173 -17.544 372 HG21 THR 30 1HG2 THR 30 11.770 -1.872 -15.966 373 HG22 THR 30 2HG2 THR 30 11.439 -0.368 -16.846 374 HG23 THR 30 3HG2 THR 30 12.911 -1.294 -17.197 375 HXT THR 30 H02 THR 30 11.463 -4.008 -21.515 Start of MODEL 17 1 H1 GLY 1 2H0 GLY 1 2.577 -0.767 1.347 2 H2 GLY 1 1H0 GLY 1 3.645 0.464 1.479 3 HA2 GLY 1 1HA GLY 1 3.902 0.586 -0.938 4 HA3 GLY 1 2HA GLY 1 4.362 -1.019 -0.317 5 H ILE 2 H ILE 2 3.248 0.264 -2.870 6 HA ILE 2 HA ILE 2 0.653 -0.580 -3.437 7 HB ILE 2 HB ILE 2 2.058 0.929 -4.877 8 HG12 ILE 2 1HG1 ILE 2 1.472 -0.089 -7.141 9 HG13 ILE 2 2HG1 ILE 2 0.870 -1.491 -6.260 10 HG21 ILE 2 1HG2 ILE 2 3.512 -1.618 -5.794 11 HG22 ILE 2 2HG2 ILE 2 3.732 0.034 -6.438 12 HG23 ILE 2 3HG2 ILE 2 4.211 -0.326 -4.770 13 HD11 ILE 2 3HD1 ILE 2 -0.734 0.013 -5.066 14 HD12 ILE 2 1HD1 ILE 2 -0.163 1.350 -6.109 15 HD13 ILE 2 2HD1 ILE 2 -0.980 -0.054 -6.835 16 H VAL 3 H VAL 3 3.583 -2.578 -3.448 17 HA VAL 3 HA VAL 3 2.393 -4.752 -4.859 18 HB VAL 3 HB VAL 3 4.779 -4.693 -2.944 19 HG11 VAL 3 1HG1 VAL 3 3.925 -6.978 -3.124 20 HG12 VAL 3 2HG1 VAL 3 3.886 -6.844 -4.903 21 HG13 VAL 3 3HG1 VAL 3 5.442 -6.832 -4.030 22 HG21 VAL 3 3HG2 VAL 3 5.155 -3.258 -4.868 23 HG22 VAL 3 1HG2 VAL 3 6.094 -4.770 -5.088 24 HG23 VAL 3 2HG2 VAL 3 4.567 -4.514 -5.979 25 H GLU 4 H GLU 4 2.836 -4.222 -1.300 26 HA GLU 4 HA GLU 4 1.507 -6.718 -0.675 27 HB2 GLU 4 1HB GLU 4 2.667 -4.453 0.857 28 HB3 GLU 4 2HB GLU 4 1.364 -5.345 1.647 29 HG2 GLU 4 1HG GLU 4 2.588 -7.484 1.205 30 HG3 GLU 4 2HG GLU 4 3.916 -6.542 0.515 31 HE2 GLU 4 HE2 GLU 4 2.031 -6.933 3.252 32 H GLN 5 H GLN 5 0.394 -3.587 -1.511 33 HA GLN 5 HA GLN 5 -2.217 -3.945 -0.191 34 HB2 GLN 5 1HB GLN 5 -0.831 -1.838 -1.728 35 HB3 GLN 5 2HB GLN 5 -2.581 -1.903 -1.970 36 HG2 GLN 5 1HG GLN 5 -1.458 -1.938 0.837 37 HG3 GLN 5 2HG GLN 5 -1.540 -0.413 -0.053 38 HE21 GLN 5 2HE2 GLN 5 -3.061 0.326 1.560 39 HE22 GLN 5 1HE2 GLN 5 -4.719 -0.183 1.481 40 H CYS 6 H CYS 6 -0.979 -3.918 -3.578 41 HA CYS 6 HA CYS 6 -3.708 -4.832 -4.324 42 HB2 CYS 6 1HB CYS 6 -1.510 -3.696 -6.075 43 HB3 CYS 6 2HB CYS 6 -3.202 -3.976 -6.526 44 H CYS 7 H CYS 7 -0.413 -6.070 -4.333 45 HA CYS 7 HA CYS 7 -1.191 -8.142 -6.298 46 HB2 CYS 7 1HB CYS 7 1.146 -7.149 -6.144 47 HB3 CYS 7 2HB CYS 7 1.328 -8.033 -4.631 48 H THR 8 H THR 8 -0.270 -7.851 -2.852 49 HA THR 8 HA THR 8 -0.989 -10.547 -2.212 50 HB THR 8 HB THR 8 -0.608 -8.125 -0.374 51 HG1 THR 8 HG1 THR 8 1.303 -10.098 -1.093 52 HG21 THR 8 1HG2 THR 8 -0.407 -11.129 0.119 53 HG22 THR 8 2HG2 THR 8 -1.581 -9.990 0.836 54 HG23 THR 8 3HG2 THR 8 0.149 -9.866 1.249 55 H SER 9 H SER 9 -2.676 -7.410 -1.665 56 HA SER 9 HA SER 9 -5.145 -9.008 -1.058 57 HB2 SER 9 1HB SER 9 -5.821 -6.675 -0.014 58 HB3 SER 9 2HB SER 9 -4.864 -7.845 0.891 59 HG SER 9 HG SER 9 -3.866 -5.635 -0.587 60 H ILE 10 H ILE 10 -7.053 -7.102 -1.424 61 HA ILE 10 HA ILE 10 -7.053 -6.873 -4.368 62 HB ILE 10 HB ILE 10 -9.256 -6.638 -2.266 63 HG12 ILE 10 1HG1 ILE 10 -8.354 -8.931 -2.620 64 HG13 ILE 10 2HG1 ILE 10 -10.073 -8.764 -2.910 65 HG21 ILE 10 1HG2 ILE 10 -9.416 -6.389 -5.305 66 HG22 ILE 10 2HG2 ILE 10 -10.843 -6.787 -4.314 67 HG23 ILE 10 3HG2 ILE 10 -9.993 -5.244 -4.073 68 HD11 ILE 10 3HD1 ILE 10 -9.672 -8.770 -5.337 69 HD12 ILE 10 1HD1 ILE 10 -7.932 -8.887 -5.056 70 HD13 ILE 10 2HD1 ILE 10 -9.008 -10.214 -4.570 71 H CYS 11 H CYS 11 -7.047 -4.935 -5.419 72 HA CYS 11 HA CYS 11 -7.573 -2.475 -3.788 73 HB2 CYS 11 1HB CYS 11 -5.633 -2.890 -6.094 74 HB3 CYS 11 2HB CYS 11 -6.122 -1.305 -5.514 75 H SER 12 H SER 12 -8.836 -0.905 -4.713 76 HA SER 12 HA SER 12 -10.158 -1.633 -7.300 77 HB2 SER 12 1HB SER 12 -11.033 0.365 -5.179 78 HB3 SER 12 2HB SER 12 -11.956 -0.148 -6.598 79 HG SER 12 HG SER 12 -11.243 -1.653 -4.298 80 H LEU 13 H LEU 13 -10.692 0.363 -8.648 81 HA LEU 13 HA LEU 13 -8.378 1.815 -9.315 82 HB2 LEU 13 1HB LEU 13 -9.852 3.246 -10.613 83 HB3 LEU 13 2HB LEU 13 -10.176 1.575 -10.886 84 HG LEU 13 HG LEU 13 -11.905 3.063 -8.935 85 HD11 LEU 13 1HD1 LEU 13 -12.122 3.246 -11.958 86 HD12 LEU 13 2HD1 LEU 13 -11.659 4.575 -10.864 87 HD13 LEU 13 3HD1 LEU 13 -13.303 3.871 -10.790 88 HD21 LEU 13 3HD2 LEU 13 -12.446 0.888 -11.010 89 HD22 LEU 13 1HD2 LEU 13 -13.668 1.585 -9.937 90 HD23 LEU 13 2HD2 LEU 13 -12.333 0.658 -9.244 91 H TYR 14 H TYR 14 -10.880 2.510 -6.941 92 HA TYR 14 HA TYR 14 -10.341 5.254 -6.512 93 HB2 TYR 14 1HB TYR 14 -12.257 3.869 -5.576 94 HB3 TYR 14 2HB TYR 14 -11.115 3.197 -4.410 95 HD1 TYR 14 HD2 TYR 14 -10.158 4.649 -2.624 96 HD2 TYR 14 HD1 TYR 14 -13.089 6.154 -5.396 97 HE1 TYR 14 HE2 TYR 14 -10.570 6.583 -1.133 98 HE2 TYR 14 HE1 TYR 14 -13.507 8.097 -3.887 99 HH TYR 14 HH TYR 14 -12.952 9.120 -1.905 100 H GLN 15 H GLN 15 -8.875 2.360 -4.957 101 HA GLN 15 HA GLN 15 -7.071 3.990 -3.341 102 HB2 GLN 15 1HB GLN 15 -7.053 1.042 -4.106 103 HB3 GLN 15 2HB GLN 15 -5.808 1.784 -3.104 104 HG2 GLN 15 1HG GLN 15 -7.329 0.757 -1.592 105 HG3 GLN 15 2HG GLN 15 -7.632 2.515 -1.485 106 HE21 GLN 15 2HE2 GLN 15 -9.737 2.430 -0.829 107 HE22 GLN 15 1HE2 GLN 15 -11.028 1.751 -1.799 108 H LEU 16 H LEU 16 -6.896 2.318 -6.511 109 HA LEU 16 HA LEU 16 -4.125 2.610 -6.938 110 HB2 LEU 16 1HB LEU 16 -6.483 2.267 -8.620 111 HB3 LEU 16 2HB LEU 16 -5.118 2.977 -9.437 112 HG LEU 16 HG LEU 16 -5.363 0.538 -9.755 113 HD11 LEU 16 1HD1 LEU 16 -3.224 1.546 -10.119 114 HD12 LEU 16 2HD1 LEU 16 -2.994 -0.034 -9.349 115 HD13 LEU 16 3HD1 LEU 16 -2.800 1.444 -8.406 116 HD21 LEU 16 3HD2 LEU 16 -4.713 -1.006 -8.011 117 HD22 LEU 16 1HD2 LEU 16 -6.125 -0.083 -7.508 118 HD23 LEU 16 2HD2 LEU 16 -4.538 0.326 -6.831 119 H GLU 17 H GLU 17 -6.709 5.026 -7.404 120 HA GLU 17 HA GLU 17 -5.069 6.953 -8.735 121 HB2 GLU 17 1HB GLU 17 -7.490 7.259 -6.927 122 HB3 GLU 17 2HB GLU 17 -6.678 8.656 -7.670 123 HG2 GLU 17 1HG GLU 17 -7.087 7.630 -9.903 124 HG3 GLU 17 2HG GLU 17 -8.045 6.375 -9.121 125 HE2 GLU 17 HE2 GLU 17 -9.290 7.694 -7.359 126 H ASN 18 H ASN 18 -5.193 6.079 -5.301 127 HA ASN 18 HA ASN 18 -3.985 8.547 -4.381 128 HB2 ASN 18 1HB ASN 18 -3.949 5.744 -3.164 129 HB3 ASN 18 2HB ASN 18 -3.402 7.214 -2.367 130 HD21 ASN 18 2HD2 ASN 18 -5.465 5.436 -1.490 131 HD22 ASN 18 1HD2 ASN 18 -6.930 6.384 -1.423 132 H TYR 19 H TYR 19 -2.775 5.971 -6.284 133 HA TYR 19 HA TYR 19 0.013 6.396 -5.352 134 HB2 TYR 19 1HB TYR 19 -1.209 4.360 -7.244 135 HB3 TYR 19 2HB TYR 19 0.509 4.427 -6.766 136 HD1 TYR 19 HD2 TYR 19 1.128 4.011 -4.315 137 HD2 TYR 19 HD1 TYR 19 -2.805 3.348 -5.848 138 HE1 TYR 19 HE2 TYR 19 0.590 2.559 -2.334 139 HE2 TYR 19 HE1 TYR 19 -3.366 1.884 -3.922 140 HH TYR 19 HH TYR 19 -0.993 1.287 -1.285 141 H CYS 20 H CYS 20 -2.004 7.982 -7.354 142 HA CYS 20 HA CYS 20 -0.548 8.151 -9.829 143 HB2 CYS 20 1HB CYS 20 -2.189 10.167 -8.256 144 HB3 CYS 20 2HB CYS 20 -1.545 10.501 -9.866 145 H ASN 21 H ASN 21 -0.196 9.683 -6.655 146 HA ASN 21 HA ASN 21 1.364 11.025 -5.667 147 HB2 ASN 21 1HB ASN 21 2.723 8.956 -5.924 148 HB3 ASN 21 2HB ASN 21 3.317 9.545 -7.472 149 HD21 ASN 21 2HD2 ASN 21 5.367 10.121 -7.195 150 HD22 ASN 21 1HD2 ASN 21 5.934 11.147 -5.887 151 HXT ASN 21 H02 ASN 21 2.818 12.905 -8.693 152 H1 PHE 1 2H0 PHE 1 -12.101 -0.672 -16.101 153 H2 PHE 1 1H0 PHE 1 -13.031 -2.013 -15.900 154 HA PHE 1 HA PHE 1 -11.005 -2.173 -14.576 155 HB2 PHE 1 1HB PHE 1 -10.883 0.370 -14.463 156 HB3 PHE 1 2HB PHE 1 -12.073 0.300 -13.161 157 HD1 PHE 1 HD1 PHE 1 -11.218 -1.638 -11.212 158 HD2 PHE 1 HD2 PHE 1 -8.724 0.739 -13.819 159 HE1 PHE 1 HE1 PHE 1 -9.319 -1.939 -9.677 160 HE2 PHE 1 HE2 PHE 1 -6.846 0.470 -12.259 161 HZ PHE 1 HZ PHE 1 -7.137 -0.897 -10.173 162 H VAL 2 H VAL 2 -11.411 -3.950 -13.575 163 HA VAL 2 HA VAL 2 -13.598 -4.050 -11.535 164 HB VAL 2 HB VAL 2 -12.090 -6.337 -12.881 165 HG11 VAL 2 1HG1 VAL 2 -14.429 -6.347 -10.949 166 HG12 VAL 2 2HG1 VAL 2 -13.845 -7.768 -11.837 167 HG13 VAL 2 3HG1 VAL 2 -12.803 -6.990 -10.640 168 HG21 VAL 2 3HG2 VAL 2 -13.597 -5.210 -14.465 169 HG22 VAL 2 1HG2 VAL 2 -14.226 -6.814 -14.040 170 HG23 VAL 2 2HG2 VAL 2 -14.941 -5.354 -13.305 171 H ASN 3 H ASN 3 -13.051 -4.362 -9.407 172 HA ASN 3 HA ASN 3 -10.250 -3.979 -8.656 173 HB2 ASN 3 1HB ASN 3 -11.058 -4.053 -6.373 174 HB3 ASN 3 2HB ASN 3 -12.134 -3.014 -7.318 175 HD21 ASN 3 2HD2 ASN 3 -14.252 -3.691 -7.753 176 HD22 ASN 3 1HD2 ASN 3 -14.967 -4.996 -6.830 177 H GLN 4 H GLN 4 -8.789 -5.482 -8.137 178 HA GLN 4 HA GLN 4 -9.415 -8.257 -7.528 179 HB2 GLN 4 1HB GLN 4 -8.490 -9.212 -9.624 180 HB3 GLN 4 2HB GLN 4 -9.937 -8.252 -9.914 181 HG2 GLN 4 1HG GLN 4 -8.426 -6.314 -10.545 182 HG3 GLN 4 2HG GLN 4 -7.088 -7.462 -10.499 183 HE21 GLN 4 2HE2 GLN 4 -9.718 -6.219 -12.265 184 HE22 GLN 4 1HE2 GLN 4 -9.546 -7.265 -13.678 185 H HIS 5 H HIS 5 -7.175 -9.517 -7.923 186 HA HIS 5 HA HIS 5 -5.080 -7.965 -6.562 187 HB2 HIS 5 1HB HIS 5 -5.112 -10.761 -7.799 188 HB3 HIS 5 2HB HIS 5 -3.742 -10.062 -6.930 189 HD1 HIS 5 HD1 HIS 5 -4.045 -9.592 -4.325 190 HD2 HIS 5 HD2 HIS 5 -7.085 -11.844 -6.139 191 HE1 HIS 5 HE1 HIS 5 -5.414 -10.642 -2.447 192 HE2 HIS 5 HE2 HIS 5 -7.210 -12.041 -3.564 193 H LEU 6 H LEU 6 -3.474 -6.915 -7.591 194 HA LEU 6 HA LEU 6 -3.100 -7.342 -10.530 195 HB2 LEU 6 1HB LEU 6 -3.448 -4.735 -8.998 196 HB3 LEU 6 2HB LEU 6 -2.737 -4.813 -10.608 197 HG LEU 6 HG LEU 6 -5.473 -5.942 -10.069 198 HD11 LEU 6 1HD1 LEU 6 -6.375 -3.757 -10.868 199 HD12 LEU 6 2HD1 LEU 6 -4.744 -3.081 -10.729 200 HD13 LEU 6 3HD1 LEU 6 -5.576 -3.679 -9.275 201 HD21 LEU 6 3HD2 LEU 6 -4.143 -4.845 -12.586 202 HD22 LEU 6 1HD2 LEU 6 -5.819 -5.479 -12.473 203 HD23 LEU 6 2HD2 LEU 6 -4.459 -6.570 -12.199 204 H CYS 7 H CYS 7 -0.975 -7.327 -11.106 205 HA CYS 7 HA CYS 7 1.058 -6.529 -9.121 206 HB2 CYS 7 1HB CYS 7 0.152 -9.077 -9.057 207 HB3 CYS 7 2HB CYS 7 1.401 -9.239 -10.290 208 H GLY 8 H GLY 8 3.239 -6.503 -10.033 209 HA2 GLY 8 1HA GLY 8 4.699 -5.902 -11.719 210 HA3 GLY 8 2HA GLY 8 4.004 -7.275 -12.561 211 H SER 9 H SER 9 3.898 -6.704 -14.608 212 HA SER 9 HA SER 9 3.489 -4.092 -15.591 213 HB2 SER 9 1HB SER 9 2.616 -5.805 -17.570 214 HB3 SER 9 2HB SER 9 4.321 -5.348 -17.262 215 HG SER 9 HG SER 9 4.191 -7.583 -17.231 216 H HIS 10 H HIS 10 1.126 -6.630 -14.674 217 HA HIS 10 HA HIS 10 -1.119 -5.345 -15.914 218 HB2 HIS 10 1HB HIS 10 -0.771 -7.748 -14.823 219 HB3 HIS 10 2HB HIS 10 -1.480 -6.948 -13.433 220 HD1 HIS 10 HD1 HIS 10 -3.317 -9.029 -14.355 221 HD2 HIS 10 HD2 HIS 10 -3.135 -5.352 -16.326 222 HE1 HIS 10 HE1 HIS 10 -5.479 -8.778 -15.682 223 HE2 HIS 10 HE2 HIS 10 -5.354 -6.561 -16.859 224 H LEU 11 H LEU 11 0.502 -5.041 -12.778 225 HA LEU 11 HA LEU 11 -1.466 -3.296 -11.584 226 HB2 LEU 11 1HB LEU 11 1.026 -4.380 -10.820 227 HB3 LEU 11 2HB LEU 11 1.274 -2.631 -10.841 228 HG LEU 11 HG LEU 11 -0.827 -4.125 -9.211 229 HD11 LEU 11 1HD1 LEU 11 0.565 -3.564 -7.289 230 HD12 LEU 11 2HD1 LEU 11 1.748 -2.753 -8.364 231 HD13 LEU 11 3HD1 LEU 11 1.489 -4.503 -8.479 232 HD21 LEU 11 3HD2 LEU 11 -1.602 -1.872 -9.809 233 HD22 LEU 11 1HD2 LEU 11 -0.088 -1.171 -9.195 234 HD23 LEU 11 2HD2 LEU 11 -1.225 -1.976 -8.089 235 H VAL 12 H VAL 12 1.482 -2.759 -13.527 236 HA VAL 12 HA VAL 12 1.345 0.121 -13.457 237 HB VAL 12 HB VAL 12 2.552 -1.700 -15.640 238 HG11 VAL 12 1HG1 VAL 12 3.039 1.241 -15.023 239 HG12 VAL 12 2HG1 VAL 12 3.910 0.249 -16.233 240 HG13 VAL 12 3HG1 VAL 12 2.183 0.595 -16.441 241 HG21 VAL 12 3HG2 VAL 12 4.706 -1.291 -14.482 242 HG22 VAL 12 1HG2 VAL 12 3.843 -0.379 -13.207 243 HG23 VAL 12 2HG2 VAL 12 3.550 -2.114 -13.426 244 H GLU 13 H GLU 13 -0.037 -2.297 -15.728 245 HA GLU 13 HA GLU 13 -1.191 -0.426 -17.548 246 HB2 GLU 13 1HB GLU 13 -1.933 -3.191 -16.651 247 HB3 GLU 13 2HB GLU 13 -2.950 -2.346 -17.805 248 HG2 GLU 13 1HG GLU 13 -1.289 -2.350 -19.450 249 HG3 GLU 13 2HG GLU 13 -0.003 -2.728 -18.280 250 HE2 GLU 13 HE2 GLU 13 -0.350 -5.791 -19.704 251 H ALA 14 H ALA 14 -2.535 -1.850 -14.498 252 HA ALA 14 HA ALA 14 -5.077 -0.596 -14.722 253 HB1 ALA 14 3HB ALA 14 -4.618 -2.420 -13.179 254 HB2 ALA 14 1HB ALA 14 -3.484 -1.394 -12.270 255 HB3 ALA 14 2HB ALA 14 -5.204 -0.991 -12.297 256 H LEU 15 H LEU 15 -2.039 0.506 -13.156 257 HA LEU 15 HA LEU 15 -3.147 2.951 -12.154 258 HB2 LEU 15 1HB LEU 15 -0.731 1.576 -12.039 259 HB3 LEU 15 2HB LEU 15 -0.320 3.055 -12.873 260 HG LEU 15 HG LEU 15 -1.614 2.838 -10.141 261 HD11 LEU 15 1HD1 LEU 15 0.558 3.653 -9.325 262 HD12 LEU 15 2HD1 LEU 15 1.175 3.592 -10.995 263 HD13 LEU 15 3HD1 LEU 15 0.683 2.088 -10.169 264 HD21 LEU 15 3HD2 LEU 15 -1.220 5.238 -9.877 265 HD22 LEU 15 1HD2 LEU 15 -2.360 4.918 -11.204 266 HD23 LEU 15 2HD2 LEU 15 -0.664 5.338 -11.563 267 H TYR 16 H TYR 16 -1.699 2.087 -15.323 268 HA TYR 16 HA TYR 16 -1.667 4.796 -16.310 269 HB2 TYR 16 1HB TYR 16 -0.375 3.155 -17.499 270 HB3 TYR 16 2HB TYR 16 -1.769 2.085 -17.684 271 HD1 TYR 16 HD1 TYR 16 -0.387 5.402 -18.741 272 HD2 TYR 16 HD2 TYR 16 -3.282 2.307 -19.534 273 HE1 TYR 16 HE1 TYR 16 -0.991 6.511 -20.909 274 HE2 TYR 16 HE2 TYR 16 -3.877 3.425 -21.679 275 HH TYR 16 HH TYR 16 -2.262 6.406 -22.811 276 H LEU 17 H LEU 17 -4.115 2.128 -16.451 277 HA LEU 17 HA LEU 17 -5.828 3.559 -18.230 278 HB2 LEU 17 1HB LEU 17 -6.364 1.364 -16.223 279 HB3 LEU 17 2HB LEU 17 -7.604 1.956 -17.329 280 HG LEU 17 HG LEU 17 -4.972 0.761 -18.279 281 HD11 LEU 17 1HD1 LEU 17 -7.650 -0.635 -17.907 282 HD12 LEU 17 2HD1 LEU 17 -6.185 -0.894 -16.918 283 HD13 LEU 17 3HD1 LEU 17 -6.170 -1.327 -18.634 284 HD21 LEU 17 3HD2 LEU 17 -7.628 1.177 -19.683 285 HD22 LEU 17 1HD2 LEU 17 -6.203 0.379 -20.371 286 HD23 LEU 17 2HD2 LEU 17 -6.141 2.092 -19.950 287 H VAL 18 H VAL 18 -5.679 3.379 -14.672 288 HA VAL 18 HA VAL 18 -7.997 5.104 -14.450 289 HB VAL 18 HB VAL 18 -7.511 3.284 -12.841 290 HG11 VAL 18 1HG1 VAL 18 -5.479 5.069 -11.501 291 HG12 VAL 18 2HG1 VAL 18 -5.791 3.325 -11.300 292 HG13 VAL 18 3HG1 VAL 18 -4.986 3.914 -12.754 293 HG21 VAL 18 3HG2 VAL 18 -7.714 6.039 -11.631 294 HG22 VAL 18 1HG2 VAL 18 -9.060 5.040 -12.242 295 HG23 VAL 18 2HG2 VAL 18 -8.115 4.519 -10.839 296 H CYS 19 H CYS 19 -4.505 5.646 -14.294 297 HA CYS 19 HA CYS 19 -5.126 8.520 -13.695 298 HB2 CYS 19 1HB CYS 19 -3.981 7.039 -11.921 299 HB3 CYS 19 2HB CYS 19 -2.524 7.229 -12.936 300 H GLY 20 H GLY 20 -2.992 6.403 -15.616 301 HA2 GLY 20 1HA GLY 20 -1.364 8.530 -16.627 302 HA3 GLY 20 2HA GLY 20 -1.600 6.958 -17.394 303 H GLU 21 H GLU 21 -4.545 7.344 -17.503 304 HA GLU 21 HA GLU 21 -4.647 9.030 -19.934 305 HB2 GLU 21 1HB GLU 21 -6.710 7.279 -18.552 306 HB3 GLU 21 2HB GLU 21 -6.992 8.156 -20.061 307 HG2 GLU 21 1HG GLU 21 -5.079 6.910 -21.097 308 HG3 GLU 21 2HG GLU 21 -4.992 5.949 -19.620 309 HE2 GLU 21 HE2 GLU 21 -8.196 5.563 -21.892 310 H ARG 22 H ARG 22 -4.670 9.863 -16.799 311 HA ARG 22 HA ARG 22 -6.889 11.859 -17.131 312 HB2 ARG 22 1HB ARG 22 -5.693 10.581 -14.638 313 HB3 ARG 22 2HB ARG 22 -6.782 11.973 -14.599 314 HG2 ARG 22 1HG ARG 22 -7.529 9.366 -15.951 315 HG3 ARG 22 2HG ARG 22 -7.837 9.684 -14.225 316 HD2 ARG 22 1HD ARG 22 -8.679 11.679 -16.288 317 HD3 ARG 22 2HD ARG 22 -9.671 10.239 -15.985 318 HE ARG 22 HE ARG 22 -9.081 11.311 -13.482 319 HH11 ARG 22 1HH1 ARG 22 -10.813 12.438 -16.333 320 HH12 ARG 22 2HH1 ARG 22 -11.899 13.435 -15.387 321 HH21 ARG 22 1HH2 ARG 22 -10.468 12.631 -12.360 322 HH22 ARG 22 2HH2 ARG 22 -11.690 13.541 -13.190 323 H GLY 23 H GLY 23 -3.599 11.335 -15.964 324 HA2 GLY 23 1HA GLY 23 -2.266 13.306 -17.104 325 HA3 GLY 23 2HA GLY 23 -3.150 14.280 -15.925 326 H GLY 24 H GLY 24 -0.251 13.083 -16.497 327 HA2 GLY 24 1HA GLY 24 1.580 13.114 -15.046 328 HA3 GLY 24 2HA GLY 24 0.482 13.092 -13.646 329 H PHE 25 H PHE 25 2.525 11.227 -15.727 330 HA PHE 25 HA PHE 25 1.951 8.893 -14.040 331 HB2 PHE 25 1HB PHE 25 0.694 8.736 -16.266 332 HB3 PHE 25 2HB PHE 25 2.270 8.592 -17.031 333 HD1 PHE 25 HD2 PHE 25 0.638 7.188 -13.952 334 HD2 PHE 25 HD1 PHE 25 2.792 6.348 -17.567 335 HE1 PHE 25 HE2 PHE 25 0.600 4.790 -13.393 336 HE2 PHE 25 HE1 PHE 25 2.750 3.908 -17.020 337 HZ PHE 25 HZ PHE 25 1.654 3.125 -14.930 338 H TYR 26 H TYR 26 3.777 7.528 -13.793 339 HA TYR 26 HA TYR 26 6.280 9.052 -14.291 340 HB2 TYR 26 1HB TYR 26 7.121 7.871 -12.320 341 HB3 TYR 26 2HB TYR 26 5.587 8.695 -11.953 342 HD1 TYR 26 HD2 TYR 26 7.203 5.382 -12.565 343 HD2 TYR 26 HD1 TYR 26 3.577 7.394 -11.388 344 HE1 TYR 26 HE2 TYR 26 6.256 3.243 -11.818 345 HE2 TYR 26 HE1 TYR 26 2.635 5.235 -10.650 346 HH TYR 26 HH TYR 26 4.496 2.161 -10.842 347 H NVA 27 H ARX 27 4.674 6.487 -15.530 348 HA NVA 27 HA ARX 27 5.197 4.410 -16.419 349 HB2 NVA 27 1HB ARX 27 5.231 6.395 -18.101 350 HB3 NVA 27 2HB ARX 27 6.944 6.024 -18.251 351 HG2 NVA 27 1HG ARX 27 5.904 3.476 -18.559 352 HG3 NVA 27 2HG ARX 27 4.525 4.410 -19.107 353 HD2 NVA 27 1HD ARX 27 5.734 4.018 -21.107 354 HD3 NVA 27 2HD ARX 27 6.259 5.668 -20.665 355 HA PRO 28 HA PRO 28 9.249 3.045 -14.752 356 HB2 PRO 28 1HB PRO 28 8.548 0.544 -13.951 357 HB3 PRO 28 2HB PRO 28 8.084 2.003 -13.009 358 HG2 PRO 28 1HG PRO 28 6.459 0.418 -15.007 359 HG3 PRO 28 2HG PRO 28 6.004 1.005 -13.384 360 HD2 PRO 28 1HD PRO 28 5.339 2.294 -15.729 361 HD3 PRO 28 2HD PRO 28 5.577 3.140 -14.162 362 H HIX 29 H HIX 29 9.967 3.225 -16.959 363 HA HIX 29 HA HIX 29 9.645 1.109 -18.875 364 HB1 HIX 29 1HB HIX 29 11.395 3.595 -18.797 365 HB2 HIX 29 2HB HIX 29 11.546 2.421 -20.089 366 HD2 HIX 29 HD2 HIX 29 8.091 3.649 -18.453 367 HD1 HIX 29 HD1 HIX 29 10.195 3.611 -22.105 368 H THR 30 H THR 30 10.454 -0.740 -19.016 369 HA THR 30 HA THR 30 13.269 -1.331 -18.511 370 HB THR 30 HB THR 30 12.001 -3.482 -17.181 371 HG1 THR 30 HG1 THR 30 11.089 -0.915 -16.310 372 HG21 THR 30 1HG2 THR 30 13.258 -2.617 -15.195 373 HG22 THR 30 2HG2 THR 30 13.531 -1.075 -16.011 374 HG23 THR 30 3HG2 THR 30 14.274 -2.580 -16.633 375 HXT THR 30 H02 THR 30 13.323 -1.668 -20.346 Start of MODEL 18 1 H1 GLY 1 2H0 GLY 1 2.799 -1.473 1.278 2 H2 GLY 1 1H0 GLY 1 3.473 -0.039 1.646 3 HA2 GLY 1 1HA GLY 1 3.302 0.760 -0.624 4 HA3 GLY 1 2HA GLY 1 4.145 -0.801 -0.595 5 H ILE 2 H ILE 2 3.014 0.308 -2.880 6 HA ILE 2 HA ILE 2 0.357 -0.453 -3.434 7 HB ILE 2 HB ILE 2 1.690 1.078 -4.880 8 HG12 ILE 2 1HG1 ILE 2 1.027 0.083 -7.123 9 HG13 ILE 2 2HG1 ILE 2 0.526 -1.369 -6.273 10 HG21 ILE 2 1HG2 ILE 2 3.862 -0.178 -4.844 11 HG22 ILE 2 2HG2 ILE 2 3.157 -1.412 -5.907 12 HG23 ILE 2 3HG2 ILE 2 3.353 0.259 -6.479 13 HD11 ILE 2 3HD1 ILE 2 -0.584 1.421 -5.918 14 HD12 ILE 2 1HD1 ILE 2 -1.366 0.064 -6.746 15 HD13 ILE 2 2HD1 ILE 2 -1.109 -0.004 -4.989 16 H VAL 3 H VAL 3 3.315 -2.426 -3.548 17 HA VAL 3 HA VAL 3 2.120 -4.667 -4.869 18 HB VAL 3 HB VAL 3 4.534 -4.362 -3.022 19 HG11 VAL 3 1HG1 VAL 3 3.609 -6.856 -4.539 20 HG12 VAL 3 2HG1 VAL 3 5.238 -6.626 -3.861 21 HG13 VAL 3 3HG1 VAL 3 3.833 -6.678 -2.786 22 HG21 VAL 3 3HG2 VAL 3 5.796 -4.660 -5.117 23 HG22 VAL 3 1HG2 VAL 3 4.278 -4.844 -6.026 24 HG23 VAL 3 2HG2 VAL 3 4.676 -3.289 -5.249 25 H GLU 4 H GLU 4 2.451 -3.855 -1.356 26 HA GLU 4 HA GLU 4 1.296 -6.372 -0.538 27 HB2 GLU 4 1HB GLU 4 1.593 -3.709 0.868 28 HB3 GLU 4 2HB GLU 4 0.963 -5.172 1.656 29 HG2 GLU 4 1HG GLU 4 3.085 -6.333 1.211 30 HG3 GLU 4 2HG GLU 4 3.735 -4.906 0.386 31 HE2 GLU 4 HE2 GLU 4 4.100 -5.234 4.187 32 H GLN 5 H GLN 5 -0.034 -3.281 -1.502 33 HA GLN 5 HA GLN 5 -2.672 -3.922 -0.399 34 HB2 GLN 5 1HB GLN 5 -1.301 -1.602 -1.583 35 HB3 GLN 5 2HB GLN 5 -3.005 -1.749 -2.063 36 HG2 GLN 5 1HG GLN 5 -2.744 -0.347 -0.040 37 HG3 GLN 5 2HG GLN 5 -3.728 -1.789 0.249 38 HE21 GLN 5 2HE2 GLN 5 -0.294 -0.801 0.423 39 HE22 GLN 5 1HE2 GLN 5 0.005 -1.587 1.943 40 H CYS 6 H CYS 6 -1.131 -3.990 -3.635 41 HA CYS 6 HA CYS 6 -3.767 -4.811 -4.759 42 HB2 CYS 6 1HB CYS 6 -1.262 -3.694 -6.013 43 HB3 CYS 6 2HB CYS 6 -2.547 -4.443 -6.959 44 H CYS 7 H CYS 7 -0.405 -6.043 -4.480 45 HA CYS 7 HA CYS 7 -1.119 -8.308 -6.220 46 HB2 CYS 7 1HB CYS 7 1.300 -7.958 -4.430 47 HB3 CYS 7 2HB CYS 7 1.107 -9.162 -5.691 48 H THR 8 H THR 8 -0.262 -7.771 -2.778 49 HA THR 8 HA THR 8 -0.936 -10.463 -2.008 50 HB THR 8 HB THR 8 -0.632 -7.937 -0.326 51 HG1 THR 8 HG1 THR 8 1.358 -9.849 -0.499 52 HG21 THR 8 1HG2 THR 8 -1.681 -9.749 0.975 53 HG22 THR 8 2HG2 THR 8 -0.004 -9.528 1.492 54 HG23 THR 8 3HG2 THR 8 -0.425 -10.890 0.427 55 H SER 9 H SER 9 -2.739 -7.335 -1.613 56 HA SER 9 HA SER 9 -5.156 -8.973 -0.922 57 HB2 SER 9 1HB SER 9 -6.001 -6.918 0.198 58 HB3 SER 9 2HB SER 9 -4.530 -7.550 0.940 59 HG SER 9 HG SER 9 -4.563 -5.441 -0.970 60 H ILE 10 H ILE 10 -7.183 -7.336 -1.372 61 HA ILE 10 HA ILE 10 -7.121 -7.028 -4.329 62 HB ILE 10 HB ILE 10 -9.391 -6.893 -2.268 63 HG12 ILE 10 1HG1 ILE 10 -8.453 -9.176 -2.603 64 HG13 ILE 10 2HG1 ILE 10 -10.154 -9.017 -3.060 65 HG21 ILE 10 1HG2 ILE 10 -10.022 -5.490 -4.126 66 HG22 ILE 10 2HG2 ILE 10 -9.431 -6.671 -5.313 67 HG23 ILE 10 3HG2 ILE 10 -10.883 -7.024 -4.347 68 HD11 ILE 10 3HD1 ILE 10 -7.811 -9.055 -5.022 69 HD12 ILE 10 1HD1 ILE 10 -8.898 -10.416 -4.649 70 HD13 ILE 10 2HD1 ILE 10 -9.549 -8.988 -5.442 71 H CYS 11 H CYS 11 -7.084 -5.018 -5.281 72 HA CYS 11 HA CYS 11 -7.740 -2.659 -3.554 73 HB2 CYS 11 1HB CYS 11 -5.980 -1.404 -4.619 74 HB3 CYS 11 2HB CYS 11 -5.285 -2.831 -3.885 75 H SER 12 H SER 12 -8.538 -0.850 -4.728 76 HA SER 12 HA SER 12 -9.936 -1.619 -7.269 77 HB2 SER 12 1HB SER 12 -10.938 0.200 -5.043 78 HB3 SER 12 2HB SER 12 -11.844 -0.300 -6.478 79 HG SER 12 HG SER 12 -12.404 -1.589 -4.695 80 H LEU 13 H LEU 13 -10.575 0.337 -8.572 81 HA LEU 13 HA LEU 13 -8.382 1.941 -9.183 82 HB2 LEU 13 1HB LEU 13 -9.783 3.191 -10.600 83 HB3 LEU 13 2HB LEU 13 -10.291 1.513 -10.652 84 HG LEU 13 HG LEU 13 -11.988 2.599 -8.765 85 HD11 LEU 13 1HD1 LEU 13 -11.187 4.888 -9.309 86 HD12 LEU 13 2HD1 LEU 13 -12.903 4.645 -9.714 87 HD13 LEU 13 3HD1 LEU 13 -11.673 4.622 -10.989 88 HD21 LEU 13 3HD2 LEU 13 -12.523 1.054 -10.573 89 HD22 LEU 13 1HD2 LEU 13 -12.361 2.379 -11.743 90 HD23 LEU 13 2HD2 LEU 13 -13.662 2.426 -10.529 91 H TYR 14 H TYR 14 -10.982 2.584 -6.928 92 HA TYR 14 HA TYR 14 -10.602 5.327 -6.430 93 HB2 TYR 14 1HB TYR 14 -12.475 3.815 -5.664 94 HB3 TYR 14 2HB TYR 14 -11.361 3.187 -4.445 95 HD1 TYR 14 HD2 TYR 14 -13.329 6.138 -5.496 96 HD2 TYR 14 HD1 TYR 14 -10.797 4.471 -2.445 97 HE1 TYR 14 HE2 TYR 14 -13.993 7.963 -3.932 98 HE2 TYR 14 HE1 TYR 14 -11.470 6.307 -0.894 99 HH TYR 14 HH TYR 14 -13.679 8.904 -1.897 100 H GLN 15 H GLN 15 -8.923 2.487 -5.073 101 HA GLN 15 HA GLN 15 -7.329 4.174 -3.290 102 HB2 GLN 15 1HB GLN 15 -7.654 1.286 -3.799 103 HB3 GLN 15 2HB GLN 15 -6.029 1.792 -3.351 104 HG2 GLN 15 1HG GLN 15 -8.568 2.352 -1.766 105 HG3 GLN 15 2HG GLN 15 -7.336 1.125 -1.375 106 HE21 GLN 15 2HE2 GLN 15 -8.406 3.688 -0.036 107 HE22 GLN 15 1HE2 GLN 15 -6.934 4.560 0.368 108 H LEU 16 H LEU 16 -6.966 2.483 -6.405 109 HA LEU 16 HA LEU 16 -4.203 2.764 -6.826 110 HB2 LEU 16 1HB LEU 16 -6.600 2.558 -8.490 111 HB3 LEU 16 2HB LEU 16 -5.251 3.334 -9.297 112 HG LEU 16 HG LEU 16 -5.486 0.941 -9.826 113 HD11 LEU 16 1HD1 LEU 16 -3.161 0.324 -9.508 114 HD12 LEU 16 2HD1 LEU 16 -2.968 1.614 -8.293 115 HD13 LEU 16 3HD1 LEU 16 -3.331 2.022 -9.988 116 HD21 LEU 16 3HD2 LEU 16 -4.672 0.387 -6.962 117 HD22 LEU 16 1HD2 LEU 16 -5.014 -0.792 -8.257 118 HD23 LEU 16 2HD2 LEU 16 -6.311 0.211 -7.612 119 H GLU 17 H GLU 17 -6.769 5.206 -7.329 120 HA GLU 17 HA GLU 17 -5.167 7.164 -8.618 121 HB2 GLU 17 1HB GLU 17 -7.513 7.416 -6.719 122 HB3 GLU 17 2HB GLU 17 -6.779 8.794 -7.553 123 HG2 GLU 17 1HG GLU 17 -7.257 7.765 -9.722 124 HG3 GLU 17 2HG GLU 17 -8.001 6.376 -8.920 125 HE2 GLU 17 HE2 GLU 17 -9.887 9.865 -8.880 126 H ASN 18 H ASN 18 -5.262 6.348 -5.139 127 HA ASN 18 HA ASN 18 -4.016 8.821 -4.272 128 HB2 ASN 18 1HB ASN 18 -4.070 6.041 -3.026 129 HB3 ASN 18 2HB ASN 18 -3.450 7.496 -2.227 130 HD21 ASN 18 2HD2 ASN 18 -6.107 5.566 -2.764 131 HD22 ASN 18 1HD2 ASN 18 -7.347 6.665 -2.200 132 H TYR 19 H TYR 19 -2.817 5.989 -5.889 133 HA TYR 19 HA TYR 19 -0.034 6.434 -5.001 134 HB2 TYR 19 1HB TYR 19 -1.265 4.492 -6.984 135 HB3 TYR 19 2HB TYR 19 0.433 4.494 -6.452 136 HD1 TYR 19 HD1 TYR 19 0.997 3.884 -4.055 137 HD2 TYR 19 HD2 TYR 19 -2.992 3.593 -5.581 138 HE1 TYR 19 HE1 TYR 19 0.347 2.420 -2.128 139 HE2 TYR 19 HE2 TYR 19 -3.648 2.116 -3.699 140 HH TYR 19 HH TYR 19 -1.330 1.364 -1.056 141 H CYS 20 H CYS 20 -1.992 8.081 -6.964 142 HA CYS 20 HA CYS 20 0.114 8.451 -9.091 143 HB2 CYS 20 1HB CYS 20 -1.815 7.402 -10.050 144 HB3 CYS 20 2HB CYS 20 -2.926 8.474 -9.192 145 H ASN 21 H ASN 21 -2.563 10.047 -7.284 146 HA ASN 21 HA ASN 21 -3.012 12.233 -6.742 147 HB2 ASN 21 1HB ASN 21 -0.797 12.398 -5.641 148 HB3 ASN 21 2HB ASN 21 -0.037 12.766 -7.198 149 HD21 ASN 21 2HD2 ASN 21 0.332 14.827 -7.647 150 HD22 ASN 21 1HD2 ASN 21 -0.624 16.158 -7.031 151 HXT ASN 21 H02 ASN 21 -0.919 12.263 -9.351 152 H1 PHE 1 2H0 PHE 1 -12.605 -0.650 -15.947 153 H2 PHE 1 1H0 PHE 1 -13.454 -2.015 -15.623 154 HA PHE 1 HA PHE 1 -11.199 -2.062 -14.617 155 HB2 PHE 1 1HB PHE 1 -11.339 0.464 -14.216 156 HB3 PHE 1 2HB PHE 1 -12.379 0.116 -12.844 157 HD1 PHE 1 HD2 PHE 1 -11.391 -1.590 -11.013 158 HD2 PHE 1 HD1 PHE 1 -9.029 0.640 -13.866 159 HE1 PHE 1 HE2 PHE 1 -9.377 -1.847 -9.578 160 HE2 PHE 1 HE1 PHE 1 -7.053 0.405 -12.411 161 HZ PHE 1 HZ PHE 1 -7.219 -0.840 -10.263 162 H VAL 2 H VAL 2 -11.127 -3.881 -13.541 163 HA VAL 2 HA VAL 2 -13.260 -4.394 -11.508 164 HB VAL 2 HB VAL 2 -11.456 -6.392 -12.936 165 HG11 VAL 2 1HG1 VAL 2 -13.735 -6.813 -10.956 166 HG12 VAL 2 2HG1 VAL 2 -12.955 -8.114 -11.895 167 HG13 VAL 2 3HG1 VAL 2 -12.012 -7.199 -10.706 168 HG21 VAL 2 3HG2 VAL 2 -14.403 -5.766 -13.284 169 HG22 VAL 2 1HG2 VAL 2 -13.111 -5.508 -14.478 170 HG23 VAL 2 2HG2 VAL 2 -13.566 -7.162 -14.018 171 H ASN 3 H ASN 3 -12.712 -4.590 -9.450 172 HA ASN 3 HA ASN 3 -9.964 -4.133 -8.570 173 HB2 ASN 3 1HB ASN 3 -10.949 -4.370 -6.315 174 HB3 ASN 3 2HB ASN 3 -11.809 -3.188 -7.299 175 HD21 ASN 3 2HD2 ASN 3 -12.181 -5.766 -5.246 176 HD22 ASN 3 1HD2 ASN 3 -13.804 -6.195 -5.697 177 H GLN 4 H GLN 4 -8.473 -5.666 -8.244 178 HA GLN 4 HA GLN 4 -9.189 -8.441 -7.612 179 HB2 GLN 4 1HB GLN 4 -8.362 -9.414 -9.699 180 HB3 GLN 4 2HB GLN 4 -9.669 -8.281 -10.100 181 HG2 GLN 4 1HG GLN 4 -7.816 -6.550 -10.537 182 HG3 GLN 4 2HG GLN 4 -6.682 -7.892 -10.466 183 HE21 GLN 4 2HE2 GLN 4 -9.408 -6.482 -12.166 184 HE22 GLN 4 1HE2 GLN 4 -9.157 -7.361 -13.672 185 H HIS 5 H HIS 5 -6.986 -9.746 -7.913 186 HA HIS 5 HA HIS 5 -4.920 -8.198 -6.565 187 HB2 HIS 5 1HB HIS 5 -4.969 -11.013 -7.691 188 HB3 HIS 5 2HB HIS 5 -3.588 -10.316 -6.845 189 HD1 HIS 5 HD1 HIS 5 -3.931 -9.681 -4.273 190 HD2 HIS 5 HD2 HIS 5 -6.954 -12.017 -6.023 191 HE1 HIS 5 HE1 HIS 5 -5.325 -10.635 -2.369 192 HE2 HIS 5 HE2 HIS 5 -7.109 -12.081 -3.428 193 H LEU 6 H LEU 6 -3.593 -6.872 -7.607 194 HA LEU 6 HA LEU 6 -3.017 -7.386 -10.512 195 HB2 LEU 6 1HB LEU 6 -3.384 -4.791 -8.976 196 HB3 LEU 6 2HB LEU 6 -2.710 -4.869 -10.595 197 HG LEU 6 HG LEU 6 -5.415 -6.032 -10.035 198 HD11 LEU 6 1HD1 LEU 6 -4.778 -3.111 -10.584 199 HD12 LEU 6 2HD1 LEU 6 -5.501 -3.789 -9.103 200 HD13 LEU 6 3HD1 LEU 6 -6.419 -3.826 -10.629 201 HD21 LEU 6 3HD2 LEU 6 -4.112 -4.805 -12.476 202 HD22 LEU 6 1HD2 LEU 6 -5.778 -5.397 -12.412 203 HD23 LEU 6 2HD2 LEU 6 -4.422 -6.538 -12.207 204 H CYS 7 H CYS 7 -0.918 -7.376 -11.051 205 HA CYS 7 HA CYS 7 1.077 -6.280 -9.200 206 HB2 CYS 7 1HB CYS 7 0.366 -8.848 -8.774 207 HB3 CYS 7 2HB CYS 7 1.605 -9.101 -10.009 208 H GLY 8 H GLY 8 3.314 -6.452 -10.154 209 HA2 GLY 8 1HA GLY 8 4.749 -6.000 -11.904 210 HA3 GLY 8 2HA GLY 8 3.925 -7.328 -12.706 211 H SER 9 H SER 9 3.796 -6.729 -14.748 212 HA SER 9 HA SER 9 3.364 -4.076 -15.687 213 HB2 SER 9 1HB SER 9 2.715 -5.326 -17.831 214 HB3 SER 9 2HB SER 9 4.332 -5.686 -17.157 215 HG SER 9 HG SER 9 3.103 -7.564 -17.753 216 H HIS 10 H HIS 10 1.076 -6.647 -14.697 217 HA HIS 10 HA HIS 10 -1.233 -5.416 -15.866 218 HB2 HIS 10 1HB HIS 10 -0.907 -7.789 -14.894 219 HB3 HIS 10 2HB HIS 10 -1.346 -7.034 -13.354 220 HD1 HIS 10 HD1 HIS 10 -3.456 -8.950 -13.993 221 HD2 HIS 10 HD2 HIS 10 -3.309 -5.234 -15.925 222 HE1 HIS 10 HE1 HIS 10 -5.764 -8.515 -14.949 223 HE2 HIS 10 HE2 HIS 10 -5.675 -6.277 -16.097 224 H LEU 11 H LEU 11 0.465 -5.059 -12.731 225 HA LEU 11 HA LEU 11 -1.453 -3.254 -11.578 226 HB2 LEU 11 1HB LEU 11 0.965 -4.377 -10.791 227 HB3 LEU 11 2HB LEU 11 1.315 -2.658 -10.880 228 HG LEU 11 HG LEU 11 -0.890 -3.948 -9.258 229 HD11 LEU 11 1HD1 LEU 11 1.417 -4.402 -8.421 230 HD12 LEU 11 2HD1 LEU 11 0.467 -3.404 -7.298 231 HD13 LEU 11 3HD1 LEU 11 1.705 -2.649 -8.339 232 HD21 LEU 11 3HD2 LEU 11 -1.564 -1.717 -9.931 233 HD22 LEU 11 1HD2 LEU 11 0.004 -1.053 -9.386 234 HD23 LEU 11 2HD2 LEU 11 -1.159 -1.732 -8.218 235 H VAL 12 H VAL 12 1.528 -2.758 -13.527 236 HA VAL 12 HA VAL 12 1.423 0.077 -13.481 237 HB VAL 12 HB VAL 12 2.552 -1.757 -15.656 238 HG11 VAL 12 1HG1 VAL 12 3.086 1.203 -15.085 239 HG12 VAL 12 2HG1 VAL 12 3.994 0.194 -16.253 240 HG13 VAL 12 3HG1 VAL 12 2.272 0.534 -16.507 241 HG21 VAL 12 3HG2 VAL 12 3.900 -0.445 -13.245 242 HG22 VAL 12 1HG2 VAL 12 3.587 -2.181 -13.465 243 HG23 VAL 12 2HG2 VAL 12 4.719 -1.360 -14.534 244 H GLU 13 H GLU 13 -0.029 -2.277 -15.745 245 HA GLU 13 HA GLU 13 -1.209 -0.374 -17.509 246 HB2 GLU 13 1HB GLU 13 -1.907 -3.188 -16.664 247 HB3 GLU 13 2HB GLU 13 -2.961 -2.289 -17.760 248 HG2 GLU 13 1HG GLU 13 -1.247 -2.094 -19.388 249 HG3 GLU 13 2HG GLU 13 -0.033 -2.766 -18.276 250 HE2 GLU 13 HE2 GLU 13 -2.680 -5.538 -18.999 251 H ALA 14 H ALA 14 -2.481 -1.815 -14.470 252 HA ALA 14 HA ALA 14 -5.075 -0.612 -14.710 253 HB1 ALA 14 3HB ALA 14 -4.523 -2.420 -13.140 254 HB2 ALA 14 1HB ALA 14 -3.495 -1.290 -12.203 255 HB3 ALA 14 2HB ALA 14 -5.257 -1.021 -12.330 256 H LEU 15 H LEU 15 -2.031 0.494 -13.161 257 HA LEU 15 HA LEU 15 -3.094 2.950 -12.121 258 HB2 LEU 15 1HB LEU 15 -0.604 1.571 -12.295 259 HB3 LEU 15 2HB LEU 15 -0.334 3.157 -12.958 260 HG LEU 15 HG LEU 15 -1.311 2.521 -10.185 261 HD11 LEU 15 1HD1 LEU 15 1.345 3.603 -11.157 262 HD12 LEU 15 2HD1 LEU 15 1.019 1.997 -10.475 263 HD13 LEU 15 3HD1 LEU 15 0.843 3.435 -9.470 264 HD21 LEU 15 3HD2 LEU 15 -1.080 4.903 -9.656 265 HD22 LEU 15 1HD2 LEU 15 -2.317 4.636 -10.893 266 HD23 LEU 15 2HD2 LEU 15 -0.715 5.255 -11.363 267 H TYR 16 H TYR 16 -1.698 2.052 -15.293 268 HA TYR 16 HA TYR 16 -1.641 4.737 -16.338 269 HB2 TYR 16 1HB TYR 16 -0.375 2.935 -17.377 270 HB3 TYR 16 2HB TYR 16 -1.859 2.047 -17.729 271 HD1 TYR 16 HD1 TYR 16 -0.033 5.231 -18.519 272 HD2 TYR 16 HD2 TYR 16 -3.175 2.519 -19.669 273 HE1 TYR 16 HE1 TYR 16 -0.298 6.422 -20.714 274 HE2 TYR 16 HE2 TYR 16 -3.438 3.730 -21.831 275 HH TYR 16 HH TYR 16 -1.416 6.476 -22.767 276 H LEU 17 H LEU 17 -4.134 2.151 -16.440 277 HA LEU 17 HA LEU 17 -5.827 3.592 -18.264 278 HB2 LEU 17 1HB LEU 17 -6.376 1.396 -16.262 279 HB3 LEU 17 2HB LEU 17 -7.593 2.022 -17.356 280 HG LEU 17 HG LEU 17 -4.995 0.860 -18.363 281 HD11 LEU 17 1HD1 LEU 17 -6.180 -1.233 -18.715 282 HD12 LEU 17 2HD1 LEU 17 -7.642 -0.568 -17.943 283 HD13 LEU 17 3HD1 LEU 17 -6.140 -0.814 -16.991 284 HD21 LEU 17 3HD2 LEU 17 -6.248 0.487 -20.445 285 HD22 LEU 17 1HD2 LEU 17 -6.190 2.206 -19.997 286 HD23 LEU 17 2HD2 LEU 17 -7.675 1.281 -19.713 287 H VAL 18 H VAL 18 -5.687 3.383 -14.704 288 HA VAL 18 HA VAL 18 -8.058 5.058 -14.449 289 HB VAL 18 HB VAL 18 -7.492 3.271 -12.792 290 HG11 VAL 18 1HG1 VAL 18 -5.741 3.354 -11.311 291 HG12 VAL 18 2HG1 VAL 18 -4.981 3.889 -12.795 292 HG13 VAL 18 3HG1 VAL 18 -5.428 5.094 -11.567 293 HG21 VAL 18 3HG2 VAL 18 -9.035 5.023 -12.150 294 HG22 VAL 18 1HG2 VAL 18 -8.010 4.575 -10.774 295 HG23 VAL 18 2HG2 VAL 18 -7.677 6.078 -11.664 296 H CYS 19 H CYS 19 -4.552 5.629 -14.310 297 HA CYS 19 HA CYS 19 -5.220 8.519 -13.938 298 HB2 CYS 19 1HB CYS 19 -4.189 6.993 -11.987 299 HB3 CYS 19 2HB CYS 19 -2.695 7.492 -12.802 300 H GLY 20 H GLY 20 -3.086 6.267 -15.600 301 HA2 GLY 20 1HA GLY 20 -1.036 8.174 -16.181 302 HA3 GLY 20 2HA GLY 20 -1.365 6.697 -17.107 303 H GLU 21 H GLU 21 -4.038 7.253 -17.803 304 HA GLU 21 HA GLU 21 -3.681 9.099 -20.014 305 HB2 GLU 21 1HB GLU 21 -6.124 7.697 -18.897 306 HB3 GLU 21 2HB GLU 21 -6.080 8.592 -20.424 307 HG2 GLU 21 1HG GLU 21 -4.345 7.044 -21.269 308 HG3 GLU 21 2HG GLU 21 -4.464 6.114 -19.773 309 HE2 GLU 21 HE2 GLU 21 -6.911 4.266 -21.090 310 H ARG 22 H ARG 22 -3.947 9.917 -16.853 311 HA ARG 22 HA ARG 22 -5.762 12.251 -17.413 312 HB2 ARG 22 1HB ARG 22 -5.448 10.441 -15.039 313 HB3 ARG 22 2HB ARG 22 -5.628 12.151 -14.697 314 HG2 ARG 22 1HG ARG 22 -7.795 11.178 -14.543 315 HG3 ARG 22 2HG ARG 22 -7.767 12.132 -16.038 316 HD2 ARG 22 1HD ARG 22 -7.011 9.270 -16.276 317 HD3 ARG 22 2HD ARG 22 -8.706 9.618 -15.871 318 HE ARG 22 HE ARG 22 -7.218 10.461 -18.335 319 HH11 ARG 22 1HH1 ARG 22 -10.336 10.180 -16.682 320 HH12 ARG 22 2HH1 ARG 22 -11.222 10.559 -18.131 321 HH21 ARG 22 1HH2 ARG 22 -8.407 10.896 -20.111 322 HH22 ARG 22 2HH2 ARG 22 -10.155 10.989 -20.044 323 H GLY 23 H GLY 23 -2.810 11.152 -15.701 324 HA2 GLY 23 1HA GLY 23 -2.064 14.049 -15.473 325 HA3 GLY 23 2HA GLY 23 -1.543 12.767 -14.376 326 H GLY 24 H GLY 24 -1.226 11.451 -17.442 327 HA2 GLY 24 1HA GLY 24 0.538 11.694 -19.027 328 HA3 GLY 24 2HA GLY 24 1.439 12.676 -17.879 329 H PHE 25 H PHE 25 0.868 10.711 -15.707 330 HA PHE 25 HA PHE 25 1.694 8.831 -14.758 331 HB2 PHE 25 1HB PHE 25 0.848 7.830 -17.028 332 HB3 PHE 25 2HB PHE 25 2.565 7.667 -17.385 333 HD1 PHE 25 HD1 PHE 25 0.504 7.101 -14.249 334 HD2 PHE 25 HD2 PHE 25 3.213 5.474 -17.201 335 HE1 PHE 25 HE1 PHE 25 0.671 4.996 -12.957 336 HE2 PHE 25 HE2 PHE 25 3.357 3.353 -15.909 337 HZ PHE 25 HZ PHE 25 2.087 3.109 -13.782 338 H TYR 26 H TYR 26 3.728 7.385 -14.524 339 HA TYR 26 HA TYR 26 6.085 9.186 -14.867 340 HB2 TYR 26 1HB TYR 26 6.857 8.398 -12.721 341 HB3 TYR 26 2HB TYR 26 5.230 9.042 -12.554 342 HD1 TYR 26 HD2 TYR 26 7.329 5.960 -12.566 343 HD2 TYR 26 HD1 TYR 26 3.344 7.529 -11.942 344 HE1 TYR 26 HE2 TYR 26 6.611 3.808 -11.593 345 HE2 TYR 26 HE1 TYR 26 2.663 5.347 -10.965 346 HH TYR 26 HH TYR 26 4.911 2.607 -10.663 347 H NVA 27 H ARX 27 4.806 6.289 -15.751 348 HA NVA 27 HA ARX 27 5.518 4.171 -16.247 349 HB2 NVA 27 1HB ARX 27 5.633 5.934 -18.256 350 HB3 NVA 27 2HB ARX 27 7.294 5.411 -18.305 351 HG2 NVA 27 1HG ARX 27 6.089 2.940 -18.148 352 HG3 NVA 27 2HG ARX 27 4.743 3.854 -18.799 353 HD2 NVA 27 1HD ARX 27 5.874 2.915 -20.661 354 HD3 NVA 27 2HD ARX 27 6.339 4.613 -20.698 355 HA PRO 28 HA PRO 28 9.520 3.092 -14.292 356 HB2 PRO 28 1HB PRO 28 8.784 0.704 -13.227 357 HB3 PRO 28 2HB PRO 28 8.255 2.262 -12.521 358 HG2 PRO 28 1HG PRO 28 6.733 0.441 -14.358 359 HG3 PRO 28 2HG PRO 28 6.185 1.211 -12.825 360 HD2 PRO 28 1HD PRO 28 5.653 2.213 -15.340 361 HD3 PRO 28 2HD PRO 28 5.804 3.235 -13.895 362 H HIX 29 H HIX 29 10.318 3.010 -16.514 363 HA HIX 29 HA HIX 29 9.944 0.672 -18.146 364 HB1 HIX 29 1HB HIX 29 11.526 3.261 -18.490 365 HB2 HIX 29 2HB HIX 29 11.865 1.884 -19.574 366 HD2 HIX 29 HD2 HIX 29 8.411 3.451 -18.167 367 HD1 HIX 29 HD1 HIX 29 10.204 2.086 -21.712 368 H THR 30 H THR 30 10.984 -0.977 -18.648 369 HA THR 30 HA THR 30 13.803 -1.487 -18.060 370 HB THR 30 HB THR 30 12.667 -3.778 -16.882 371 HG1 THR 30 HG1 THR 30 11.254 -1.438 -16.290 372 HG21 THR 30 1HG2 THR 30 14.823 -2.703 -16.190 373 HG22 THR 30 2HG2 THR 30 13.778 -2.969 -14.802 374 HG23 THR 30 3HG2 THR 30 13.941 -1.331 -15.482 375 HXT THR 30 H02 THR 30 13.908 -1.711 -19.910 Start of MODEL 19 1 H1 GLY 1 2H0 GLY 1 2.848 -1.298 1.173 2 H2 GLY 1 1H0 GLY 1 4.125 -1.746 0.209 3 HA2 GLY 1 1HA GLY 1 2.597 0.814 -0.052 4 HA3 GLY 1 2HA GLY 1 3.904 0.278 -1.130 5 H ILE 2 H ILE 2 2.794 0.368 -2.977 6 HA ILE 2 HA ILE 2 0.172 -0.582 -3.407 7 HB ILE 2 HB ILE 2 1.395 0.990 -4.939 8 HG12 ILE 2 1HG1 ILE 2 0.685 -0.111 -7.118 9 HG13 ILE 2 2HG1 ILE 2 0.230 -1.523 -6.173 10 HG21 ILE 2 1HG2 ILE 2 3.603 -0.198 -4.973 11 HG22 ILE 2 2HG2 ILE 2 2.876 -1.503 -5.946 12 HG23 ILE 2 3HG2 ILE 2 2.989 0.145 -6.592 13 HD11 ILE 2 3HD1 ILE 2 -1.744 -0.230 -6.604 14 HD12 ILE 2 1HD1 ILE 2 -1.350 -0.057 -4.881 15 HD13 ILE 2 2HD1 ILE 2 -0.954 1.244 -6.028 16 H VAL 3 H VAL 3 3.198 -2.377 -3.269 17 HA VAL 3 HA VAL 3 2.253 -4.727 -4.576 18 HB VAL 3 HB VAL 3 4.612 -4.621 -4.312 19 HG11 VAL 3 1HG1 VAL 3 5.742 -4.410 -2.083 20 HG12 VAL 3 2HG1 VAL 3 4.827 -2.965 -2.538 21 HG13 VAL 3 3HG1 VAL 3 4.171 -4.104 -1.328 22 HG21 VAL 3 3HG2 VAL 3 3.727 -6.556 -2.121 23 HG22 VAL 3 1HG2 VAL 3 3.686 -6.899 -3.874 24 HG23 VAL 3 2HG2 VAL 3 5.236 -6.621 -3.056 25 H GLU 4 H GLU 4 2.143 -3.734 -1.091 26 HA GLU 4 HA GLU 4 0.813 -6.192 -0.314 27 HB2 GLU 4 1HB GLU 4 1.568 -3.605 0.928 28 HB3 GLU 4 2HB GLU 4 0.133 -4.380 1.607 29 HG2 GLU 4 1HG GLU 4 1.378 -6.414 2.038 30 HG3 GLU 4 2HG GLU 4 2.819 -5.738 1.259 31 HE2 GLU 4 HE2 GLU 4 1.717 -4.172 4.742 32 H GLN 5 H GLN 5 -0.231 -3.110 -1.577 33 HA GLN 5 HA GLN 5 -2.982 -3.437 -0.757 34 HB2 GLN 5 1HB GLN 5 -1.631 -1.270 -1.386 35 HB3 GLN 5 2HB GLN 5 -2.120 -1.675 -3.043 36 HG2 GLN 5 1HG GLN 5 -3.739 -0.128 -2.148 37 HG3 GLN 5 2HG GLN 5 -4.520 -1.712 -2.272 38 HE21 GLN 5 2HE2 GLN 5 -5.783 -2.121 -0.594 39 HE22 GLN 5 1HE2 GLN 5 -5.447 -1.703 1.068 40 H CYS 6 H CYS 6 -1.218 -4.135 -3.794 41 HA CYS 6 HA CYS 6 -3.796 -5.211 -4.877 42 HB2 CYS 6 1HB CYS 6 -1.395 -4.048 -6.289 43 HB3 CYS 6 2HB CYS 6 -2.773 -4.787 -7.104 44 H CYS 7 H CYS 7 -0.294 -5.982 -4.542 45 HA CYS 7 HA CYS 7 -0.619 -8.365 -6.239 46 HB2 CYS 7 1HB CYS 7 1.527 -6.872 -5.775 47 HB3 CYS 7 2HB CYS 7 1.681 -7.898 -4.353 48 H THR 8 H THR 8 -1.024 -7.445 -2.945 49 HA THR 8 HA THR 8 -1.057 -10.286 -2.023 50 HB THR 8 HB THR 8 -0.951 -7.709 -0.393 51 HG1 THR 8 HG1 THR 8 0.899 -8.289 -1.783 52 HG21 THR 8 1HG2 THR 8 -1.849 -9.613 0.881 53 HG22 THR 8 2HG2 THR 8 -0.209 -9.206 1.433 54 HG23 THR 8 3HG2 THR 8 -0.479 -10.621 0.373 55 H SER 9 H SER 9 -2.919 -7.191 -1.668 56 HA SER 9 HA SER 9 -5.304 -8.867 -1.034 57 HB2 SER 9 1HB SER 9 -6.179 -6.889 0.119 58 HB3 SER 9 2HB SER 9 -4.649 -7.436 0.820 59 HG SER 9 HG SER 9 -3.597 -5.746 -0.167 60 H ILE 10 H ILE 10 -7.336 -7.162 -1.490 61 HA ILE 10 HA ILE 10 -7.270 -6.903 -4.444 62 HB ILE 10 HB ILE 10 -9.563 -6.729 -2.424 63 HG12 ILE 10 1HG1 ILE 10 -8.595 -9.027 -2.712 64 HG13 ILE 10 2HG1 ILE 10 -10.297 -8.875 -3.157 65 HG21 ILE 10 1HG2 ILE 10 -10.152 -5.338 -4.299 66 HG22 ILE 10 2HG2 ILE 10 -9.584 -6.555 -5.473 67 HG23 ILE 10 3HG2 ILE 10 -11.037 -6.863 -4.493 68 HD11 ILE 10 3HD1 ILE 10 -9.758 -8.892 -5.534 69 HD12 ILE 10 1HD1 ILE 10 -8.014 -8.915 -5.176 70 HD13 ILE 10 2HD1 ILE 10 -9.035 -10.305 -4.741 71 H CYS 11 H CYS 11 -7.262 -4.925 -5.406 72 HA CYS 11 HA CYS 11 -7.809 -2.541 -3.687 73 HB2 CYS 11 1HB CYS 11 -5.995 -1.368 -4.919 74 HB3 CYS 11 2HB CYS 11 -5.405 -2.762 -4.003 75 H SER 12 H SER 12 -8.653 -0.758 -4.752 76 HA SER 12 HA SER 12 -10.020 -1.388 -7.367 77 HB2 SER 12 1HB SER 12 -10.958 0.331 -5.021 78 HB3 SER 12 2HB SER 12 -11.846 0.055 -6.531 79 HG SER 12 HG SER 12 -12.306 -1.324 -4.574 80 H LEU 13 H LEU 13 -10.514 0.550 -8.638 81 HA LEU 13 HA LEU 13 -8.262 2.054 -9.246 82 HB2 LEU 13 1HB LEU 13 -9.689 3.431 -10.600 83 HB3 LEU 13 2HB LEU 13 -10.065 1.739 -10.799 84 HG LEU 13 HG LEU 13 -11.755 3.567 -9.081 85 HD11 LEU 13 1HD1 LEU 13 -11.959 3.031 -12.071 86 HD12 LEU 13 2HD1 LEU 13 -11.540 4.590 -11.295 87 HD13 LEU 13 3HD1 LEU 13 -13.160 3.891 -11.091 88 HD21 LEU 13 3HD2 LEU 13 -12.302 0.932 -10.524 89 HD22 LEU 13 1HD2 LEU 13 -13.573 1.946 -9.799 90 HD23 LEU 13 2HD2 LEU 13 -12.336 1.226 -8.763 91 H TYR 14 H TYR 14 -10.801 2.839 -6.950 92 HA TYR 14 HA TYR 14 -10.279 5.580 -6.565 93 HB2 TYR 14 1HB TYR 14 -12.185 4.181 -5.635 94 HB3 TYR 14 2HB TYR 14 -11.054 3.582 -4.416 95 HD1 TYR 14 HD1 TYR 14 -12.941 6.541 -5.619 96 HD2 TYR 14 HD2 TYR 14 -10.302 5.021 -2.573 97 HE1 TYR 14 HE1 TYR 14 -13.453 8.524 -4.181 98 HE2 TYR 14 HE2 TYR 14 -10.822 7.007 -1.145 99 HH TYR 14 HH TYR 14 -13.029 9.597 -2.212 100 H GLN 15 H GLN 15 -8.811 2.717 -4.956 101 HA GLN 15 HA GLN 15 -7.027 4.395 -3.379 102 HB2 GLN 15 1HB GLN 15 -6.987 1.427 -4.029 103 HB3 GLN 15 2HB GLN 15 -5.850 2.238 -2.952 104 HG2 GLN 15 1HG GLN 15 -7.815 2.997 -1.573 105 HG3 GLN 15 2HG GLN 15 -8.822 1.911 -2.536 106 HE21 GLN 15 2HE2 GLN 15 -7.347 2.123 0.318 107 HE22 GLN 15 1HE2 GLN 15 -6.928 0.437 0.590 108 H LEU 16 H LEU 16 -6.835 2.568 -6.443 109 HA LEU 16 HA LEU 16 -4.070 2.720 -6.881 110 HB2 LEU 16 1HB LEU 16 -6.465 2.539 -8.536 111 HB3 LEU 16 2HB LEU 16 -5.056 3.130 -9.373 112 HG LEU 16 HG LEU 16 -5.539 0.727 -9.685 113 HD11 LEU 16 1HD1 LEU 16 -3.313 1.529 -10.088 114 HD12 LEU 16 2HD1 LEU 16 -3.230 -0.075 -9.357 115 HD13 LEU 16 3HD1 LEU 16 -2.884 1.364 -8.374 116 HD21 LEU 16 3HD2 LEU 16 -4.996 -0.882 -7.975 117 HD22 LEU 16 1HD2 LEU 16 -6.326 0.156 -7.453 118 HD23 LEU 16 2HD2 LEU 16 -4.691 0.414 -6.794 119 H GLU 17 H GLU 17 -6.531 5.253 -7.429 120 HA GLU 17 HA GLU 17 -4.872 7.094 -8.832 121 HB2 GLU 17 1HB GLU 17 -7.126 7.561 -6.861 122 HB3 GLU 17 2HB GLU 17 -6.340 8.868 -7.767 123 HG2 GLU 17 1HG GLU 17 -6.926 7.638 -9.875 124 HG3 GLU 17 2HG GLU 17 -7.935 6.577 -8.878 125 HE2 GLU 17 HE2 GLU 17 -8.848 8.273 -7.169 126 H ASN 18 H ASN 18 -4.946 6.365 -5.349 127 HA ASN 18 HA ASN 18 -3.551 8.764 -4.528 128 HB2 ASN 18 1HB ASN 18 -3.745 6.043 -3.205 129 HB3 ASN 18 2HB ASN 18 -3.080 7.485 -2.447 130 HD21 ASN 18 2HD2 ASN 18 -5.267 5.950 -1.486 131 HD22 ASN 18 1HD2 ASN 18 -6.685 6.997 -1.501 132 H TYR 19 H TYR 19 -2.579 5.921 -6.181 133 HA TYR 19 HA TYR 19 0.272 6.239 -5.357 134 HB2 TYR 19 1HB TYR 19 -1.099 4.189 -7.111 135 HB3 TYR 19 2HB TYR 19 0.598 4.142 -6.603 136 HD1 TYR 19 HD2 TYR 19 1.143 3.715 -4.152 137 HD2 TYR 19 HD1 TYR 19 -2.855 3.531 -5.686 138 HE1 TYR 19 HE2 TYR 19 0.399 2.485 -2.107 139 HE2 TYR 19 HE1 TYR 19 -3.610 2.318 -3.668 140 HH TYR 19 HH TYR 19 -1.396 1.605 -0.947 141 H CYS 20 H CYS 20 -1.727 7.740 -7.388 142 HA CYS 20 HA CYS 20 0.287 7.979 -9.589 143 HB2 CYS 20 1HB CYS 20 -2.051 7.391 -10.255 144 HB3 CYS 20 2HB CYS 20 -2.609 8.885 -9.487 145 H ASN 21 H ASN 21 -2.013 9.743 -7.544 146 HA ASN 21 HA ASN 21 -2.059 11.706 -6.535 147 HB2 ASN 21 1HB ASN 21 0.066 10.435 -5.551 148 HB3 ASN 21 2HB ASN 21 0.951 11.800 -6.217 149 HD21 ASN 21 2HD2 ASN 21 1.313 13.222 -4.613 150 HD22 ASN 21 1HD2 ASN 21 0.132 13.722 -3.419 151 HXT ASN 21 H02 ASN 21 0.217 13.826 -8.891 152 H1 PHE 1 2H0 PHE 1 -12.009 -0.382 -16.196 153 H2 PHE 1 1H0 PHE 1 -12.917 -1.760 -16.031 154 HA PHE 1 HA PHE 1 -10.804 -1.850 -14.723 155 HB2 PHE 1 1HB PHE 1 -11.010 0.682 -14.299 156 HB3 PHE 1 2HB PHE 1 -12.169 0.297 -13.058 157 HD1 PHE 1 HD2 PHE 1 -11.360 -1.451 -11.185 158 HD2 PHE 1 HD1 PHE 1 -8.738 0.813 -13.761 159 HE1 PHE 1 HE2 PHE 1 -9.503 -1.807 -9.598 160 HE2 PHE 1 HE1 PHE 1 -6.887 0.476 -12.153 161 HZ PHE 1 HZ PHE 1 -7.266 -0.849 -10.066 162 H VAL 2 H VAL 2 -10.859 -3.653 -13.634 163 HA VAL 2 HA VAL 2 -13.190 -4.113 -11.820 164 HB VAL 2 HB VAL 2 -11.441 -6.184 -13.200 165 HG11 VAL 2 1HG1 VAL 2 -13.870 -6.505 -11.377 166 HG12 VAL 2 2HG1 VAL 2 -13.090 -7.823 -12.291 167 HG13 VAL 2 3HG1 VAL 2 -12.194 -6.978 -11.019 168 HG21 VAL 2 3HG2 VAL 2 -14.329 -5.322 -13.708 169 HG22 VAL 2 1HG2 VAL 2 -12.952 -5.151 -14.818 170 HG23 VAL 2 2HG2 VAL 2 -13.556 -6.768 -14.419 171 H ASN 3 H ASN 3 -12.768 -4.407 -9.738 172 HA ASN 3 HA ASN 3 -10.022 -4.109 -8.761 173 HB2 ASN 3 1HB ASN 3 -10.992 -4.216 -6.538 174 HB3 ASN 3 2HB ASN 3 -11.947 -3.110 -7.537 175 HD21 ASN 3 2HD2 ASN 3 -14.038 -3.797 -8.247 176 HD22 ASN 3 1HD2 ASN 3 -14.883 -5.062 -7.393 177 H GLN 4 H GLN 4 -8.640 -5.674 -8.348 178 HA GLN 4 HA GLN 4 -9.365 -8.436 -7.714 179 HB2 GLN 4 1HB GLN 4 -8.505 -9.427 -9.778 180 HB3 GLN 4 2HB GLN 4 -9.876 -8.374 -10.148 181 HG2 GLN 4 1HG GLN 4 -8.191 -6.579 -10.734 182 HG3 GLN 4 2HG GLN 4 -6.943 -7.814 -10.609 183 HE21 GLN 4 2HE2 GLN 4 -9.293 -6.352 -12.550 184 HE22 GLN 4 1HE2 GLN 4 -9.191 -7.466 -13.909 185 H HIS 5 H HIS 5 -7.135 -9.703 -7.953 186 HA HIS 5 HA HIS 5 -5.073 -8.071 -6.667 187 HB2 HIS 5 1HB HIS 5 -5.057 -10.915 -7.748 188 HB3 HIS 5 2HB HIS 5 -3.716 -10.170 -6.861 189 HD1 HIS 5 HD1 HIS 5 -4.209 -9.488 -4.281 190 HD2 HIS 5 HD2 HIS 5 -7.061 -11.963 -6.118 191 HE1 HIS 5 HE1 HIS 5 -5.587 -10.534 -2.416 192 HE2 HIS 5 HE2 HIS 5 -7.271 -12.053 -3.536 193 H LEU 6 H LEU 6 -3.401 -7.078 -7.654 194 HA LEU 6 HA LEU 6 -2.913 -7.637 -10.549 195 HB2 LEU 6 1HB LEU 6 -3.373 -4.934 -9.234 196 HB3 LEU 6 2HB LEU 6 -2.626 -5.117 -10.826 197 HG LEU 6 HG LEU 6 -5.341 -6.307 -10.287 198 HD11 LEU 6 1HD1 LEU 6 -5.620 -4.048 -9.539 199 HD12 LEU 6 2HD1 LEU 6 -6.313 -4.155 -11.180 200 HD13 LEU 6 3HD1 LEU 6 -4.708 -3.431 -10.929 201 HD21 LEU 6 3HD2 LEU 6 -4.004 -5.188 -12.771 202 HD22 LEU 6 1HD2 LEU 6 -5.632 -5.890 -12.700 203 HD23 LEU 6 2HD2 LEU 6 -4.222 -6.914 -12.374 204 H CYS 7 H CYS 7 -0.766 -7.452 -11.125 205 HA CYS 7 HA CYS 7 1.147 -6.277 -9.247 206 HB2 CYS 7 1HB CYS 7 0.553 -8.805 -8.682 207 HB3 CYS 7 2HB CYS 7 1.722 -9.124 -9.972 208 H GLY 8 H GLY 8 3.433 -6.498 -10.225 209 HA2 GLY 8 1HA GLY 8 4.817 -6.029 -12.008 210 HA3 GLY 8 2HA GLY 8 3.956 -7.337 -12.807 211 H SER 9 H SER 9 4.010 -6.557 -14.849 212 HA SER 9 HA SER 9 3.434 -3.906 -15.629 213 HB2 SER 9 1HB SER 9 2.638 -6.274 -17.306 214 HB3 SER 9 2HB SER 9 3.433 -4.757 -17.801 215 HG SER 9 HG SER 9 5.032 -6.254 -17.775 216 H HIS 10 H HIS 10 1.225 -6.565 -14.765 217 HA HIS 10 HA HIS 10 -1.097 -5.361 -15.947 218 HB2 HIS 10 1HB HIS 10 -0.511 -7.739 -14.620 219 HB3 HIS 10 2HB HIS 10 -1.625 -6.918 -13.523 220 HD1 HIS 10 HD1 HIS 10 -2.620 -9.485 -14.894 221 HD2 HIS 10 HD2 HIS 10 -3.041 -5.673 -16.569 222 HE1 HIS 10 HE1 HIS 10 -4.542 -9.626 -16.558 223 HE2 HIS 10 HE2 HIS 10 -4.781 -7.321 -17.576 224 H LEU 11 H LEU 11 0.503 -5.066 -12.763 225 HA LEU 11 HA LEU 11 -1.506 -3.319 -11.617 226 HB2 LEU 11 1HB LEU 11 0.931 -4.437 -10.782 227 HB3 LEU 11 2HB LEU 11 1.236 -2.717 -10.821 228 HG LEU 11 HG LEU 11 -0.950 -4.079 -9.238 229 HD11 LEU 11 1HD1 LEU 11 0.404 -3.403 -7.307 230 HD12 LEU 11 2HD1 LEU 11 1.614 -2.672 -8.379 231 HD13 LEU 11 3HD1 LEU 11 1.356 -4.435 -8.376 232 HD21 LEU 11 3HD2 LEU 11 -0.145 -1.165 -9.404 233 HD22 LEU 11 1HD2 LEU 11 -1.271 -1.852 -8.221 234 HD23 LEU 11 2HD2 LEU 11 -1.692 -1.860 -9.941 235 H VAL 12 H VAL 12 1.522 -2.758 -13.490 236 HA VAL 12 HA VAL 12 1.371 0.088 -13.384 237 HB VAL 12 HB VAL 12 2.526 -1.671 -15.612 238 HG11 VAL 12 1HG1 VAL 12 2.995 1.278 -14.958 239 HG12 VAL 12 2HG1 VAL 12 3.934 0.317 -16.125 240 HG13 VAL 12 3HG1 VAL 12 2.211 0.625 -16.426 241 HG21 VAL 12 3HG2 VAL 12 3.878 -0.393 -13.188 242 HG22 VAL 12 1HG2 VAL 12 3.544 -2.123 -13.405 243 HG23 VAL 12 2HG2 VAL 12 4.692 -1.309 -14.485 244 H GLU 13 H GLU 13 -0.046 -2.265 -15.670 245 HA GLU 13 HA GLU 13 -1.213 -0.375 -17.455 246 HB2 GLU 13 1HB GLU 13 -1.989 -3.187 -16.631 247 HB3 GLU 13 2HB GLU 13 -2.934 -2.274 -17.804 248 HG2 GLU 13 1HG GLU 13 -1.241 -2.278 -19.386 249 HG3 GLU 13 2HG GLU 13 0.017 -2.621 -18.197 250 HE2 GLU 13 HE2 GLU 13 -2.161 -5.562 -19.664 251 H ALA 14 H ALA 14 -2.556 -1.884 -14.457 252 HA ALA 14 HA ALA 14 -5.115 -0.615 -14.682 253 HB1 ALA 14 3HB ALA 14 -4.612 -2.473 -13.135 254 HB2 ALA 14 1HB ALA 14 -3.577 -1.376 -12.184 255 HB3 ALA 14 2HB ALA 14 -5.316 -1.072 -12.288 256 H LEU 15 H LEU 15 -2.128 0.448 -13.036 257 HA LEU 15 HA LEU 15 -3.220 2.870 -11.979 258 HB2 LEU 15 1HB LEU 15 -0.797 1.491 -11.945 259 HB3 LEU 15 2HB LEU 15 -0.395 2.976 -12.774 260 HG LEU 15 HG LEU 15 -1.582 2.756 -10.001 261 HD11 LEU 15 1HD1 LEU 15 0.632 3.541 -9.297 262 HD12 LEU 15 2HD1 LEU 15 1.195 3.503 -10.978 263 HD13 LEU 15 3HD1 LEU 15 0.722 1.989 -10.155 264 HD21 LEU 15 3HD2 LEU 15 -1.215 5.127 -9.750 265 HD22 LEU 15 1HD2 LEU 15 -2.290 4.848 -11.127 266 HD23 LEU 15 2HD2 LEU 15 -0.584 5.263 -11.411 267 H TYR 16 H TYR 16 -1.735 2.078 -15.138 268 HA TYR 16 HA TYR 16 -1.719 4.790 -16.090 269 HB2 TYR 16 1HB TYR 16 -0.328 3.062 -17.110 270 HB3 TYR 16 2HB TYR 16 -1.757 2.135 -17.556 271 HD1 TYR 16 HD2 TYR 16 0.008 5.372 -18.180 272 HD2 TYR 16 HD1 TYR 16 -2.981 2.599 -19.554 273 HE1 TYR 16 HE2 TYR 16 -0.220 6.660 -20.305 274 HE2 TYR 16 HE1 TYR 16 -3.196 3.894 -21.681 275 HH TYR 16 HH TYR 16 -2.392 5.668 -22.933 276 H LEU 17 H LEU 17 -4.103 2.104 -16.319 277 HA LEU 17 HA LEU 17 -5.779 3.482 -18.175 278 HB2 LEU 17 1HB LEU 17 -6.313 1.270 -16.184 279 HB3 LEU 17 2HB LEU 17 -7.540 1.870 -17.296 280 HG LEU 17 HG LEU 17 -4.878 0.740 -18.237 281 HD11 LEU 17 1HD1 LEU 17 -6.085 -1.359 -18.688 282 HD12 LEU 17 2HD1 LEU 17 -7.552 -0.696 -17.906 283 HD13 LEU 17 3HD1 LEU 17 -6.066 -0.984 -16.960 284 HD21 LEU 17 3HD2 LEU 17 -6.090 0.400 -20.355 285 HD22 LEU 17 1HD2 LEU 17 -5.986 2.112 -19.907 286 HD23 LEU 17 2HD2 LEU 17 -7.504 1.221 -19.673 287 H VAL 18 H VAL 18 -5.687 3.396 -14.619 288 HA VAL 18 HA VAL 18 -8.096 5.027 -14.487 289 HB VAL 18 HB VAL 18 -7.634 3.408 -12.707 290 HG11 VAL 18 1HG1 VAL 18 -5.121 3.757 -12.725 291 HG12 VAL 18 2HG1 VAL 18 -5.391 5.202 -11.736 292 HG13 VAL 18 3HG1 VAL 18 -5.896 3.608 -11.161 293 HG21 VAL 18 3HG2 VAL 18 -8.054 4.863 -10.764 294 HG22 VAL 18 1HG2 VAL 18 -7.625 6.281 -11.746 295 HG23 VAL 18 2HG2 VAL 18 -9.049 5.303 -12.177 296 H CYS 19 H CYS 19 -4.616 5.685 -14.276 297 HA CYS 19 HA CYS 19 -5.350 8.594 -14.027 298 HB2 CYS 19 1HB CYS 19 -4.314 7.413 -12.027 299 HB3 CYS 19 2HB CYS 19 -2.829 7.314 -12.980 300 H GLY 20 H GLY 20 -2.860 6.403 -15.441 301 HA2 GLY 20 1HA GLY 20 -1.244 8.484 -16.466 302 HA3 GLY 20 2HA GLY 20 -1.344 6.840 -17.127 303 H GLU 21 H GLU 21 -4.189 7.026 -17.783 304 HA GLU 21 HA GLU 21 -4.058 8.196 -20.399 305 HB2 GLU 21 1HB GLU 21 -6.354 7.265 -18.629 306 HB3 GLU 21 2HB GLU 21 -6.587 7.875 -20.266 307 HG2 GLU 21 1HG GLU 21 -5.016 6.086 -21.073 308 HG3 GLU 21 2HG GLU 21 -5.092 5.405 -19.446 309 HE2 GLU 21 HE2 GLU 21 -8.340 5.377 -21.728 310 H ARG 22 H ARG 22 -4.284 9.895 -17.472 311 HA ARG 22 HA ARG 22 -6.106 11.970 -18.605 312 HB2 ARG 22 1HB ARG 22 -4.984 11.385 -15.871 313 HB3 ARG 22 2HB ARG 22 -5.453 13.021 -16.268 314 HG2 ARG 22 1HG ARG 22 -7.302 12.065 -15.178 315 HG3 ARG 22 2HG ARG 22 -7.733 12.137 -16.897 316 HD2 ARG 22 1HD ARG 22 -6.465 9.597 -16.051 317 HD3 ARG 22 2HD ARG 22 -8.016 9.939 -15.280 318 HE ARG 22 HE ARG 22 -8.192 10.403 -18.098 319 HH11 ARG 22 1HH1 ARG 22 -8.054 7.742 -15.781 320 HH12 ARG 22 2HH1 ARG 22 -8.833 6.632 -16.882 321 HH21 ARG 22 1HH2 ARG 22 -9.240 8.940 -19.415 322 HH22 ARG 22 2HH2 ARG 22 -9.534 7.305 -18.864 323 H GLY 23 H GLY 23 -2.956 11.151 -19.002 324 HA2 GLY 23 1HA GLY 23 -1.462 12.525 -20.218 325 HA3 GLY 23 2HA GLY 23 -2.301 13.963 -19.634 326 H GLY 24 H GLY 24 -1.026 11.286 -17.662 327 HA2 GLY 24 1HA GLY 24 1.122 13.113 -16.701 328 HA3 GLY 24 2HA GLY 24 0.037 12.340 -15.525 329 H PHE 25 H PHE 25 1.006 10.713 -14.595 330 HA PHE 25 HA PHE 25 1.871 8.646 -14.248 331 HB2 PHE 25 1HB PHE 25 0.883 8.328 -16.742 332 HB3 PHE 25 2HB PHE 25 2.599 8.068 -17.093 333 HD1 PHE 25 HD2 PHE 25 0.241 7.118 -14.287 334 HD2 PHE 25 HD1 PHE 25 3.100 5.803 -17.213 335 HE1 PHE 25 HE2 PHE 25 0.020 4.820 -13.462 336 HE2 PHE 25 HE1 PHE 25 2.880 3.463 -16.397 337 HZ PHE 25 HZ PHE 25 1.329 2.960 -14.493 338 H TYR 26 H TYR 26 3.868 7.323 -14.389 339 HA TYR 26 HA TYR 26 6.251 9.091 -14.766 340 HB2 TYR 26 1HB TYR 26 7.205 8.149 -12.778 341 HB3 TYR 26 2HB TYR 26 5.567 8.693 -12.384 342 HD1 TYR 26 HD1 TYR 26 3.723 6.992 -12.053 343 HD2 TYR 26 HD2 TYR 26 7.821 5.806 -12.695 344 HE1 TYR 26 HE1 TYR 26 3.195 4.695 -11.240 345 HE2 TYR 26 HE2 TYR 26 7.273 3.532 -11.868 346 HH TYR 26 HH TYR 26 5.700 2.131 -11.043 347 H NVA 27 H ARX 27 4.722 6.415 -15.791 348 HA NVA 27 HA ARX 27 5.219 4.304 -16.507 349 HB2 NVA 27 1HB ARX 27 5.270 6.272 -18.360 350 HB3 NVA 27 2HB ARX 27 6.858 5.594 -18.655 351 HG2 NVA 27 1HG ARX 27 5.436 3.241 -18.569 352 HG3 NVA 27 2HG ARX 27 4.132 4.330 -19.019 353 HD2 NVA 27 1HD ARX 27 5.011 3.467 -21.042 354 HD3 NVA 27 2HD ARX 27 5.648 5.114 -20.983 355 HA PRO 28 HA PRO 28 9.345 2.891 -15.080 356 HB2 PRO 28 1HB PRO 28 8.589 0.509 -14.025 357 HB3 PRO 28 2HB PRO 28 8.225 2.057 -13.200 358 HG2 PRO 28 1HG PRO 28 6.431 0.398 -14.963 359 HG3 PRO 28 2HG PRO 28 6.090 1.099 -13.355 360 HD2 PRO 28 1HD PRO 28 5.336 2.269 -15.723 361 HD3 PRO 28 2HD PRO 28 5.687 3.209 -14.239 362 H HIX 29 H HIX 29 9.673 2.927 -17.462 363 HA HIX 29 HA HIX 29 9.117 0.642 -19.107 364 HB1 HIX 29 1HB HIX 29 10.861 3.120 -19.468 365 HB2 HIX 29 2HB HIX 29 10.925 1.817 -20.658 366 HD2 HIX 29 HD2 HIX 29 7.745 3.427 -18.769 367 HD1 HIX 29 HD1 HIX 29 9.158 2.512 -22.631 368 H THR 30 H THR 30 10.328 -0.845 -20.038 369 HA THR 30 HA THR 30 13.033 -1.529 -19.603 370 HB THR 30 HB THR 30 12.727 -1.965 -17.289 371 HG1 THR 30 HG1 THR 30 13.049 -4.269 -17.238 372 HG21 THR 30 1HG2 THR 30 11.012 -3.554 -16.375 373 HG22 THR 30 2HG2 THR 30 10.274 -3.717 -17.955 374 HG23 THR 30 3HG2 THR 30 10.259 -2.138 -17.104 375 HXT THR 30 H02 THR 30 10.132 -3.072 -19.704 Start of MODEL 20 1 H1 GLY 1 2H0 GLY 1 3.637 -1.754 0.829 2 H2 GLY 1 1H0 GLY 1 4.190 -0.306 1.369 3 HA2 GLY 1 1HA GLY 1 3.523 0.842 -0.626 4 HA3 GLY 1 2HA GLY 1 4.543 -0.556 -1.053 5 H ILE 2 H ILE 2 3.242 0.453 -3.028 6 HA ILE 2 HA ILE 2 0.557 -0.224 -3.481 7 HB ILE 2 HB ILE 2 1.779 1.293 -4.962 8 HG12 ILE 2 1HG1 ILE 2 1.218 0.340 -7.235 9 HG13 ILE 2 2HG1 ILE 2 0.807 -1.179 -6.436 10 HG21 ILE 2 1HG2 ILE 2 3.401 -1.103 -5.963 11 HG22 ILE 2 2HG2 ILE 2 3.495 0.554 -6.570 12 HG23 ILE 2 3HG2 ILE 2 4.034 0.198 -4.927 13 HD11 ILE 2 3HD1 ILE 2 -0.522 1.497 -5.901 14 HD12 ILE 2 1HD1 ILE 2 -1.179 0.207 -6.917 15 HD13 ILE 2 2HD1 ILE 2 -0.984 -0.067 -5.169 16 H VAL 3 H VAL 3 3.437 -2.315 -3.939 17 HA VAL 3 HA VAL 3 1.923 -4.408 -5.185 18 HB VAL 3 HB VAL 3 4.415 -4.076 -5.367 19 HG11 VAL 3 1HG1 VAL 3 5.917 -4.949 -3.670 20 HG12 VAL 3 2HG1 VAL 3 4.907 -3.681 -2.957 21 HG13 VAL 3 3HG1 VAL 3 4.556 -5.393 -2.619 22 HG21 VAL 3 3HG2 VAL 3 3.328 -6.177 -6.083 23 HG22 VAL 3 1HG2 VAL 3 4.970 -6.451 -5.464 24 HG23 VAL 3 2HG2 VAL 3 3.563 -6.857 -4.452 25 H GLU 4 H GLU 4 2.507 -3.572 -1.791 26 HA GLU 4 HA GLU 4 1.635 -6.178 -0.802 27 HB2 GLU 4 1HB GLU 4 2.044 -3.502 0.574 28 HB3 GLU 4 2HB GLU 4 1.674 -5.019 1.404 29 HG2 GLU 4 1HG GLU 4 3.779 -5.991 0.562 30 HG3 GLU 4 2HG GLU 4 4.148 -4.474 -0.276 31 HE2 GLU 4 HE2 GLU 4 5.639 -3.212 2.398 32 H GLN 5 H GLN 5 0.088 -3.303 -1.872 33 HA GLN 5 HA GLN 5 -2.416 -3.947 -0.429 34 HB2 GLN 5 1HB GLN 5 -1.411 -1.594 -2.001 35 HB3 GLN 5 2HB GLN 5 -3.138 -1.802 -1.732 36 HG2 GLN 5 1HG GLN 5 -1.081 -1.740 0.494 37 HG3 GLN 5 2HG GLN 5 -2.018 -0.336 -0.029 38 HE21 GLN 5 2HE2 GLN 5 -1.872 -2.550 2.319 39 HE22 GLN 5 1HE2 GLN 5 -3.574 -2.708 2.713 40 H CYS 6 H CYS 6 -1.059 -3.876 -3.719 41 HA CYS 6 HA CYS 6 -3.710 -4.731 -4.749 42 HB2 CYS 6 1HB CYS 6 -1.207 -3.682 -6.052 43 HB3 CYS 6 2HB CYS 6 -2.535 -4.393 -6.977 44 H CYS 7 H CYS 7 -0.380 -6.058 -4.471 45 HA CYS 7 HA CYS 7 -1.250 -8.308 -6.186 46 HB2 CYS 7 1HB CYS 7 1.065 -7.221 -6.222 47 HB3 CYS 7 2HB CYS 7 1.366 -8.051 -4.692 48 H THR 8 H THR 8 -0.102 -7.735 -2.831 49 HA THR 8 HA THR 8 -0.687 -10.387 -1.923 50 HB THR 8 HB THR 8 -0.551 -7.794 -0.312 51 HG1 THR 8 HG1 THR 8 1.717 -8.628 -0.118 52 HG21 THR 8 1HG2 THR 8 -1.334 -9.718 1.014 53 HG22 THR 8 2HG2 THR 8 0.323 -9.286 1.476 54 HG23 THR 8 3HG2 THR 8 0.034 -10.695 0.427 55 H SER 9 H SER 9 -2.567 -7.323 -1.687 56 HA SER 9 HA SER 9 -4.948 -8.955 -0.882 57 HB2 SER 9 1HB SER 9 -5.739 -6.863 0.229 58 HB3 SER 9 2HB SER 9 -4.306 -7.584 0.962 59 HG SER 9 HG SER 9 -4.310 -5.404 -0.870 60 H ILE 10 H ILE 10 -6.954 -7.187 -1.322 61 HA ILE 10 HA ILE 10 -6.909 -6.946 -4.294 62 HB ILE 10 HB ILE 10 -9.175 -6.833 -2.248 63 HG12 ILE 10 1HG1 ILE 10 -8.190 -9.091 -2.569 64 HG13 ILE 10 2HG1 ILE 10 -9.892 -8.970 -3.002 65 HG21 ILE 10 1HG2 ILE 10 -9.250 -6.642 -5.300 66 HG22 ILE 10 2HG2 ILE 10 -10.687 -6.985 -4.309 67 HG23 ILE 10 3HG2 ILE 10 -9.835 -5.443 -4.122 68 HD11 ILE 10 3HD1 ILE 10 -7.594 -8.998 -4.985 69 HD12 ILE 10 1HD1 ILE 10 -8.657 -10.369 -4.600 70 HD13 ILE 10 2HD1 ILE 10 -9.326 -8.927 -5.387 71 H CYS 11 H CYS 11 -7.069 -4.970 -5.293 72 HA CYS 11 HA CYS 11 -7.748 -2.619 -3.611 73 HB2 CYS 11 1HB CYS 11 -5.953 -1.333 -4.608 74 HB3 CYS 11 2HB CYS 11 -5.265 -2.774 -3.857 75 H SER 12 H SER 12 -8.573 -0.821 -4.892 76 HA SER 12 HA SER 12 -9.683 -1.681 -7.555 77 HB2 SER 12 1HB SER 12 -11.313 -1.636 -5.578 78 HB3 SER 12 2HB SER 12 -11.076 0.120 -5.544 79 HG SER 12 HG SER 12 -12.890 -0.584 -6.825 80 H LEU 13 H LEU 13 -10.561 0.418 -8.674 81 HA LEU 13 HA LEU 13 -8.355 2.050 -9.314 82 HB2 LEU 13 1HB LEU 13 -9.911 3.402 -10.558 83 HB3 LEU 13 2HB LEU 13 -10.256 1.691 -10.782 84 HG LEU 13 HG LEU 13 -11.902 2.687 -8.633 85 HD11 LEU 13 1HD1 LEU 13 -12.057 4.281 -11.221 86 HD12 LEU 13 2HD1 LEU 13 -11.529 4.906 -9.631 87 HD13 LEU 13 3HD1 LEU 13 -13.206 4.363 -9.861 88 HD21 LEU 13 3HD2 LEU 13 -13.689 1.906 -10.071 89 HD22 LEU 13 1HD2 LEU 13 -12.350 0.746 -10.065 90 HD23 LEU 13 2HD2 LEU 13 -12.577 1.831 -11.458 91 H TYR 14 H TYR 14 -10.785 2.457 -6.811 92 HA TYR 14 HA TYR 14 -10.428 5.259 -6.369 93 HB2 TYR 14 1HB TYR 14 -12.280 3.772 -5.489 94 HB3 TYR 14 2HB TYR 14 -11.126 3.153 -4.286 95 HD1 TYR 14 HD2 TYR 14 -13.050 6.131 -5.410 96 HD2 TYR 14 HD1 TYR 14 -10.450 4.540 -2.365 97 HE1 TYR 14 HE2 TYR 14 -13.579 8.065 -3.922 98 HE2 TYR 14 HE1 TYR 14 -11.001 6.480 -0.889 99 HH TYR 14 HH TYR 14 -12.147 8.458 -0.690 100 H GLN 15 H GLN 15 -8.847 2.373 -4.930 101 HA GLN 15 HA GLN 15 -7.134 3.980 -3.214 102 HB2 GLN 15 1HB GLN 15 -6.938 1.100 -4.194 103 HB3 GLN 15 2HB GLN 15 -5.793 1.842 -3.078 104 HG2 GLN 15 1HG GLN 15 -7.313 0.576 -1.757 105 HG3 GLN 15 2HG GLN 15 -7.676 2.288 -1.488 106 HE21 GLN 15 2HE2 GLN 15 -9.813 2.095 -0.914 107 HE22 GLN 15 1HE2 GLN 15 -11.039 1.471 -1.988 108 H LEU 16 H LEU 16 -6.865 2.471 -6.461 109 HA LEU 16 HA LEU 16 -4.117 2.904 -6.886 110 HB2 LEU 16 1HB LEU 16 -6.462 2.853 -8.715 111 HB3 LEU 16 2HB LEU 16 -4.880 3.244 -9.350 112 HG LEU 16 HG LEU 16 -6.020 0.776 -9.290 113 HD11 LEU 16 1HD1 LEU 16 -3.843 -0.050 -10.015 114 HD12 LEU 16 2HD1 LEU 16 -3.054 1.363 -9.274 115 HD13 LEU 16 3HD1 LEU 16 -4.142 1.577 -10.660 116 HD21 LEU 16 3HD2 LEU 16 -3.977 0.725 -7.056 117 HD22 LEU 16 1HD2 LEU 16 -4.736 -0.670 -7.836 118 HD23 LEU 16 2HD2 LEU 16 -5.722 0.434 -6.877 119 H GLU 17 H GLU 17 -6.816 5.177 -7.374 120 HA GLU 17 HA GLU 17 -5.308 7.237 -8.613 121 HB2 GLU 17 1HB GLU 17 -7.839 7.217 -6.973 122 HB3 GLU 17 2HB GLU 17 -7.130 8.724 -7.555 123 HG2 GLU 17 1HG GLU 17 -7.195 7.866 -9.854 124 HG3 GLU 17 2HG GLU 17 -7.977 6.391 -9.270 125 HE2 GLU 17 HE2 GLU 17 -10.057 9.597 -9.920 126 H ASN 18 H ASN 18 -5.507 6.311 -5.196 127 HA ASN 18 HA ASN 18 -4.528 8.887 -4.250 128 HB2 ASN 18 1HB ASN 18 -4.550 6.142 -2.935 129 HB3 ASN 18 2HB ASN 18 -4.086 7.643 -2.130 130 HD21 ASN 18 2HD2 ASN 18 -6.352 5.697 -1.733 131 HD22 ASN 18 1HD2 ASN 18 -7.784 6.698 -1.757 132 H TYR 19 H TYR 19 -3.012 6.181 -5.832 133 HA TYR 19 HA TYR 19 -0.366 6.767 -4.665 134 HB2 TYR 19 1HB TYR 19 -1.293 4.973 -6.932 135 HB3 TYR 19 2HB TYR 19 0.391 5.085 -6.366 136 HD1 TYR 19 HD1 TYR 19 0.961 4.257 -4.025 137 HD2 TYR 19 HD2 TYR 19 -2.923 3.747 -5.718 138 HE1 TYR 19 HE1 TYR 19 0.419 2.529 -2.290 139 HE2 TYR 19 HE2 TYR 19 -3.474 2.011 -4.040 140 HH TYR 19 HH TYR 19 -1.182 1.125 -1.447 141 H CYS 20 H CYS 20 -2.410 8.110 -7.008 142 HA CYS 20 HA CYS 20 -0.232 8.961 -8.804 143 HB2 CYS 20 1HB CYS 20 -3.141 9.809 -8.743 144 HB3 CYS 20 2HB CYS 20 -2.013 9.902 -10.097 145 H ASN 21 H ASN 21 -2.152 10.052 -6.132 146 HA ASN 21 HA ASN 21 -2.249 11.874 -4.800 147 HB2 ASN 21 1HB ASN 21 0.258 11.535 -4.702 148 HB3 ASN 21 2HB ASN 21 0.421 12.764 -5.965 149 HD21 ASN 21 2HD2 ASN 21 1.069 14.619 -5.104 150 HD22 ASN 21 1HD2 ASN 21 0.440 15.301 -3.622 151 HXT ASN 21 H02 ASN 21 -2.682 14.097 -7.896 152 H1 PHE 1 2H0 PHE 1 -12.552 -0.581 -15.844 153 H2 PHE 1 1H0 PHE 1 -13.244 -2.085 -15.753 154 HA PHE 1 HA PHE 1 -11.084 -2.087 -14.617 155 HB2 PHE 1 1HB PHE 1 -11.364 0.399 -14.073 156 HB3 PHE 1 2HB PHE 1 -12.424 -0.067 -12.775 157 HD1 PHE 1 HD2 PHE 1 -11.390 -1.763 -10.987 158 HD2 PHE 1 HD1 PHE 1 -9.063 0.627 -13.731 159 HE1 PHE 1 HE2 PHE 1 -9.388 -2.061 -9.565 160 HE2 PHE 1 HE1 PHE 1 -7.087 0.366 -12.270 161 HZ PHE 1 HZ PHE 1 -7.237 -0.987 -10.179 162 H VAL 2 H VAL 2 -10.929 -3.923 -13.642 163 HA VAL 2 HA VAL 2 -13.074 -4.678 -11.694 164 HB VAL 2 HB VAL 2 -11.121 -6.488 -13.133 165 HG11 VAL 2 1HG1 VAL 2 -12.610 -8.300 -12.261 166 HG12 VAL 2 2HG1 VAL 2 -11.765 -7.398 -10.985 167 HG13 VAL 2 3HG1 VAL 2 -13.487 -7.071 -11.309 168 HG21 VAL 2 3HG2 VAL 2 -14.084 -5.956 -13.658 169 HG22 VAL 2 1HG2 VAL 2 -12.730 -5.601 -14.756 170 HG23 VAL 2 2HG2 VAL 2 -13.148 -7.281 -14.391 171 H ASN 3 H ASN 3 -12.557 -4.806 -9.656 172 HA ASN 3 HA ASN 3 -9.824 -4.317 -8.743 173 HB2 ASN 3 1HB ASN 3 -10.754 -4.404 -6.493 174 HB3 ASN 3 2HB ASN 3 -11.798 -3.398 -7.508 175 HD21 ASN 3 2HD2 ASN 3 -13.866 -4.229 -8.155 176 HD22 ASN 3 1HD2 ASN 3 -14.602 -5.530 -7.241 177 H GLN 4 H GLN 4 -8.361 -5.858 -8.238 178 HA GLN 4 HA GLN 4 -9.077 -8.635 -7.692 179 HB2 GLN 4 1HB GLN 4 -8.107 -9.562 -9.743 180 HB3 GLN 4 2HB GLN 4 -9.434 -8.489 -10.176 181 HG2 GLN 4 1HG GLN 4 -7.704 -6.675 -10.598 182 HG3 GLN 4 2HG GLN 4 -6.459 -7.912 -10.413 183 HE21 GLN 4 2HE2 GLN 4 -9.193 -6.819 -12.315 184 HE22 GLN 4 1HE2 GLN 4 -8.776 -7.709 -13.760 185 H HIS 5 H HIS 5 -6.793 -9.871 -7.935 186 HA HIS 5 HA HIS 5 -4.828 -8.252 -6.489 187 HB2 HIS 5 1HB HIS 5 -4.763 -11.087 -7.584 188 HB3 HIS 5 2HB HIS 5 -3.426 -10.327 -6.716 189 HD1 HIS 5 HD1 HIS 5 -3.807 -9.705 -4.151 190 HD2 HIS 5 HD2 HIS 5 -6.791 -12.077 -5.902 191 HE1 HIS 5 HE1 HIS 5 -5.191 -10.665 -2.248 192 HE2 HIS 5 HE2 HIS 5 -6.962 -12.132 -3.311 193 H LEU 6 H LEU 6 -3.774 -6.748 -7.616 194 HA LEU 6 HA LEU 6 -3.050 -7.322 -10.463 195 HB2 LEU 6 1HB LEU 6 -3.446 -4.760 -8.882 196 HB3 LEU 6 2HB LEU 6 -2.672 -4.796 -10.460 197 HG LEU 6 HG LEU 6 -5.426 -5.918 -10.041 198 HD11 LEU 6 1HD1 LEU 6 -6.253 -3.704 -10.918 199 HD12 LEU 6 2HD1 LEU 6 -4.617 -3.060 -10.653 200 HD13 LEU 6 3HD1 LEU 6 -5.583 -3.642 -9.275 201 HD21 LEU 6 3HD2 LEU 6 -3.972 -4.836 -12.485 202 HD22 LEU 6 1HD2 LEU 6 -5.643 -5.434 -12.466 203 HD23 LEU 6 2HD2 LEU 6 -4.313 -6.553 -12.137 204 H CYS 7 H CYS 7 -0.991 -7.484 -11.007 205 HA CYS 7 HA CYS 7 1.110 -6.594 -9.103 206 HB2 CYS 7 1HB CYS 7 0.190 -9.162 -9.076 207 HB3 CYS 7 2HB CYS 7 1.459 -9.289 -10.300 208 H GLY 8 H GLY 8 3.279 -6.626 -10.122 209 HA2 GLY 8 1HA GLY 8 4.676 -6.028 -11.849 210 HA3 GLY 8 2HA GLY 8 3.911 -7.366 -12.683 211 H SER 9 H SER 9 3.838 -6.687 -14.708 212 HA SER 9 HA SER 9 3.336 -4.033 -15.580 213 HB2 SER 9 1HB SER 9 2.828 -5.189 -17.774 214 HB3 SER 9 2HB SER 9 4.388 -5.616 -17.041 215 HG SER 9 HG SER 9 3.213 -7.462 -17.750 216 H HIS 10 H HIS 10 1.081 -6.650 -14.707 217 HA HIS 10 HA HIS 10 -1.218 -5.432 -15.911 218 HB2 HIS 10 1HB HIS 10 -0.804 -7.826 -14.803 219 HB3 HIS 10 2HB HIS 10 -1.530 -7.017 -13.404 220 HD1 HIS 10 HD1 HIS 10 -3.351 -9.118 -14.255 221 HD2 HIS 10 HD2 HIS 10 -3.209 -5.493 -16.345 222 HE1 HIS 10 HE1 HIS 10 -5.519 -8.931 -15.559 223 HE2 HIS 10 HE2 HIS 10 -5.422 -6.746 -16.827 224 H LEU 11 H LEU 11 0.392 -5.106 -12.750 225 HA LEU 11 HA LEU 11 -1.575 -3.328 -11.604 226 HB2 LEU 11 1HB LEU 11 0.716 -4.537 -10.727 227 HB3 LEU 11 2HB LEU 11 1.274 -2.892 -10.916 228 HG LEU 11 HG LEU 11 -1.013 -3.816 -9.160 229 HD11 LEU 11 1HD1 LEU 11 1.219 -4.467 -8.359 230 HD12 LEU 11 2HD1 LEU 11 0.532 -3.210 -7.326 231 HD13 LEU 11 3HD1 LEU 11 1.787 -2.783 -8.513 232 HD21 LEU 11 3HD2 LEU 11 0.151 -1.035 -9.496 233 HD22 LEU 11 1HD2 LEU 11 -1.008 -1.539 -8.249 234 HD23 LEU 11 2HD2 LEU 11 -1.482 -1.563 -9.945 235 H VAL 12 H VAL 12 1.457 -2.788 -13.465 236 HA VAL 12 HA VAL 12 1.296 0.074 -13.378 237 HB VAL 12 HB VAL 12 2.533 -1.657 -15.572 238 HG11 VAL 12 1HG1 VAL 12 3.044 1.269 -14.813 239 HG12 VAL 12 2HG1 VAL 12 3.913 0.346 -16.063 240 HG13 VAL 12 3HG1 VAL 12 2.191 0.710 -16.269 241 HG21 VAL 12 3HG2 VAL 12 3.512 -2.175 -13.366 242 HG22 VAL 12 1HG2 VAL 12 4.658 -1.243 -14.336 243 HG23 VAL 12 2HG2 VAL 12 3.747 -0.441 -13.036 244 H GLU 13 H GLU 13 -0.058 -2.307 -15.698 245 HA GLU 13 HA GLU 13 -1.186 -0.425 -17.537 246 HB2 GLU 13 1HB GLU 13 -1.930 -3.209 -16.646 247 HB3 GLU 13 2HB GLU 13 -2.979 -2.328 -17.760 248 HG2 GLU 13 1HG GLU 13 -1.326 -2.238 -19.431 249 HG3 GLU 13 2HG GLU 13 -0.048 -2.725 -18.311 250 HE2 GLU 13 HE2 GLU 13 -0.548 -5.698 -19.917 251 H ALA 14 H ALA 14 -2.558 -1.855 -14.516 252 HA ALA 14 HA ALA 14 -5.079 -0.538 -14.787 253 HB1 ALA 14 3HB ALA 14 -3.572 -1.356 -12.287 254 HB2 ALA 14 1HB ALA 14 -5.300 -0.948 -12.387 255 HB3 ALA 14 2HB ALA 14 -4.684 -2.378 -13.234 256 H LEU 15 H LEU 15 -2.036 0.491 -13.193 257 HA LEU 15 HA LEU 15 -3.094 2.953 -12.182 258 HB2 LEU 15 1HB LEU 15 -0.622 1.585 -12.212 259 HB3 LEU 15 2HB LEU 15 -0.304 3.186 -12.879 260 HG LEU 15 HG LEU 15 -1.713 2.692 -10.231 261 HD11 LEU 15 1HD1 LEU 15 0.584 1.845 -10.159 262 HD12 LEU 15 2HD1 LEU 15 0.397 3.293 -9.151 263 HD13 LEU 15 3HD1 LEU 15 1.180 3.420 -10.744 264 HD21 LEU 15 3HD2 LEU 15 -2.242 4.885 -11.209 265 HD22 LEU 15 1HD2 LEU 15 -0.512 5.228 -11.398 266 HD23 LEU 15 2HD2 LEU 15 -1.219 5.065 -9.779 267 H TYR 16 H TYR 16 -1.612 2.058 -15.312 268 HA TYR 16 HA TYR 16 -1.555 4.753 -16.328 269 HB2 TYR 16 1HB TYR 16 -0.278 3.077 -17.470 270 HB3 TYR 16 2HB TYR 16 -1.700 2.046 -17.699 271 HD1 TYR 16 HD1 TYR 16 -0.259 5.371 -18.686 272 HD2 TYR 16 HD2 TYR 16 -3.122 2.296 -19.577 273 HE1 TYR 16 HE1 TYR 16 -0.810 6.509 -20.842 274 HE2 TYR 16 HE2 TYR 16 -3.672 3.423 -21.732 275 HH TYR 16 HH TYR 16 -3.274 5.233 -23.095 276 H LEU 17 H LEU 17 -4.084 2.160 -16.470 277 HA LEU 17 HA LEU 17 -5.732 3.692 -18.260 278 HB2 LEU 17 1HB LEU 17 -6.360 1.460 -16.313 279 HB3 LEU 17 2HB LEU 17 -7.545 2.115 -17.444 280 HG LEU 17 HG LEU 17 -4.907 0.911 -18.331 281 HD11 LEU 17 1HD1 LEU 17 -7.608 -0.456 -18.153 282 HD12 LEU 17 2HD1 LEU 17 -6.209 -0.764 -17.088 283 HD13 LEU 17 3HD1 LEU 17 -6.111 -1.146 -18.816 284 HD21 LEU 17 3HD2 LEU 17 -6.079 0.633 -20.494 285 HD22 LEU 17 1HD2 LEU 17 -5.890 2.332 -20.016 286 HD23 LEU 17 2HD2 LEU 17 -7.463 1.529 -19.825 287 H VAL 18 H VAL 18 -5.624 3.417 -14.691 288 HA VAL 18 HA VAL 18 -7.925 5.160 -14.471 289 HB VAL 18 HB VAL 18 -7.434 3.349 -12.832 290 HG11 VAL 18 1HG1 VAL 18 -4.914 3.883 -12.785 291 HG12 VAL 18 2HG1 VAL 18 -5.334 5.132 -11.593 292 HG13 VAL 18 3HG1 VAL 18 -5.706 3.411 -11.288 293 HG21 VAL 18 3HG2 VAL 18 -7.981 4.616 -10.828 294 HG22 VAL 18 1HG2 VAL 18 -7.515 6.124 -11.634 295 HG23 VAL 18 2HG2 VAL 18 -8.907 5.197 -12.229 296 H CYS 19 H CYS 19 -4.415 5.674 -14.315 297 HA CYS 19 HA CYS 19 -5.004 8.559 -13.737 298 HB2 CYS 19 1HB CYS 19 -3.038 6.615 -12.673 299 HB3 CYS 19 2HB CYS 19 -2.567 8.285 -12.850 300 H GLY 20 H GLY 20 -3.028 6.427 -15.797 301 HA2 GLY 20 1HA GLY 20 -1.330 8.605 -16.697 302 HA3 GLY 20 2HA GLY 20 -1.495 7.015 -17.453 303 H GLU 21 H GLU 21 -4.394 7.185 -17.631 304 HA GLU 21 HA GLU 21 -4.582 8.784 -20.102 305 HB2 GLU 21 1HB GLU 21 -6.620 7.126 -18.576 306 HB3 GLU 21 2HB GLU 21 -6.923 7.895 -20.138 307 HG2 GLU 21 1HG GLU 21 -5.055 6.561 -21.102 308 HG3 GLU 21 2HG GLU 21 -4.893 5.716 -19.562 309 HE2 GLU 21 HE2 GLU 21 -6.991 3.901 -21.853 310 H ARG 22 H ARG 22 -5.123 9.232 -16.769 311 HA ARG 22 HA ARG 22 -7.166 11.316 -17.021 312 HB2 ARG 22 1HB ARG 22 -6.900 9.683 -15.120 313 HB3 ARG 22 2HB ARG 22 -5.434 10.524 -14.657 314 HG2 ARG 22 1HG ARG 22 -6.630 12.490 -14.086 315 HG3 ARG 22 2HG ARG 22 -8.115 11.866 -14.842 316 HD2 ARG 22 1HD ARG 22 -8.396 11.434 -12.555 317 HD3 ARG 22 2HD ARG 22 -7.934 9.893 -13.289 318 HE ARG 22 HE ARG 22 -5.915 9.913 -12.148 319 HH11 ARG 22 1HH1 ARG 22 -7.613 12.955 -11.519 320 HH12 ARG 22 2HH1 ARG 22 -6.580 13.353 -10.168 321 HH21 ARG 22 1HH2 ARG 22 -4.656 10.485 -10.417 322 HH22 ARG 22 2HH2 ARG 22 -4.941 11.978 -9.561 323 H GLY 23 H GLY 23 -3.740 11.060 -16.177 324 HA2 GLY 23 1HA GLY 23 -2.341 12.834 -17.342 325 HA3 GLY 23 2HA GLY 23 -3.460 14.012 -16.661 326 H GLY 24 H GLY 24 -2.406 11.193 -14.790 327 HA2 GLY 24 1HA GLY 24 -0.385 12.841 -13.388 328 HA3 GLY 24 2HA GLY 24 -1.769 12.263 -12.439 329 H PHE 25 H PHE 25 1.027 11.258 -14.399 330 HA PHE 25 HA PHE 25 1.179 8.776 -12.816 331 HB2 PHE 25 1HB PHE 25 -0.302 8.369 -14.822 332 HB3 PHE 25 2HB PHE 25 1.073 8.748 -15.858 333 HD1 PHE 25 HD1 PHE 25 0.998 6.759 -12.657 334 HD2 PHE 25 HD2 PHE 25 1.541 6.726 -16.931 335 HE1 PHE 25 HE1 PHE 25 1.737 4.398 -12.550 336 HE2 PHE 25 HE2 PHE 25 2.232 4.338 -16.827 337 HZ PHE 25 HZ PHE 25 2.331 3.177 -14.625 338 H TYR 26 H TYR 26 3.273 7.698 -13.125 339 HA TYR 26 HA TYR 26 5.365 9.741 -13.762 340 HB2 TYR 26 1HB TYR 26 6.678 8.526 -12.011 341 HB3 TYR 26 2HB TYR 26 5.173 9.252 -11.395 342 HD1 TYR 26 HD2 TYR 26 6.813 6.034 -12.318 343 HD2 TYR 26 HD1 TYR 26 3.321 7.874 -10.594 344 HE1 TYR 26 HE2 TYR 26 6.032 3.820 -11.501 345 HE2 TYR 26 HE1 TYR 26 2.548 5.649 -9.794 346 HH TYR 26 HH TYR 26 3.018 3.395 -9.655 347 H NVA 27 H ARX 27 4.029 7.017 -14.931 348 HA NVA 27 HA ARX 27 4.624 5.206 -16.212 349 HB2 NVA 27 1HB ARX 27 4.729 7.548 -17.538 350 HB3 NVA 27 2HB ARX 27 6.376 7.022 -17.830 351 HG2 NVA 27 1HG ARX 27 4.988 4.661 -18.424 352 HG3 NVA 27 2HG ARX 27 3.752 5.848 -18.776 353 HD2 NVA 27 1HD ARX 27 4.867 5.559 -20.838 354 HD3 NVA 27 2HD ARX 27 5.601 7.051 -20.257 355 HA PRO 28 HA PRO 28 8.700 3.744 -14.705 356 HB2 PRO 28 1HB PRO 28 7.945 1.303 -13.769 357 HB3 PRO 28 2HB PRO 28 7.610 2.810 -12.862 358 HG2 PRO 28 1HG PRO 28 5.799 1.229 -14.668 359 HG3 PRO 28 2HG PRO 28 5.472 1.879 -13.041 360 HD2 PRO 28 1HD PRO 28 4.704 3.122 -15.379 361 HD3 PRO 28 2HD PRO 28 5.040 4.010 -13.853 362 H HIX 29 H HIX 29 9.000 3.927 -17.055 363 HA HIX 29 HA HIX 29 8.375 1.941 -18.970 364 HB1 HIX 29 1HB HIX 29 10.505 4.134 -18.874 365 HB2 HIX 29 2HB HIX 29 10.394 3.029 -20.242 366 HD2 HIX 29 HD2 HIX 29 7.212 4.624 -18.335 367 HD1 HIX 29 HD1 HIX 29 9.144 4.601 -22.074 368 H THR 30 H THR 30 9.275 0.252 -19.845 369 HA THR 30 HA THR 30 11.925 -0.772 -19.227 370 HB THR 30 HB THR 30 10.417 -3.057 -18.602 371 HG1 THR 30 HG1 THR 30 9.376 -0.722 -17.289 372 HG21 THR 30 1HG2 THR 30 11.389 -2.813 -16.314 373 HG22 THR 30 2HG2 THR 30 11.793 -1.121 -16.646 374 HG23 THR 30 3HG2 THR 30 12.595 -2.424 -17.553 375 HXT THR 30 H02 THR 30 11.538 -2.485 -22.031 Start of MODEL 21 1 H1 GLY 1 2H0 GLY 1 3.142 -1.459 1.404 2 H2 GLY 1 1H0 GLY 1 3.998 -0.079 1.705 3 HA2 GLY 1 1HA GLY 1 3.479 0.780 -0.527 4 HA3 GLY 1 2HA GLY 1 4.384 -0.755 -0.593 5 H ILE 2 H ILE 2 2.905 0.321 -2.718 6 HA ILE 2 HA ILE 2 0.262 -0.592 -3.008 7 HB ILE 2 HB ILE 2 1.385 0.958 -4.580 8 HG12 ILE 2 1HG1 ILE 2 0.367 -1.501 -6.063 9 HG13 ILE 2 2HG1 ILE 2 -0.668 -0.340 -5.240 10 HG21 ILE 2 1HG2 ILE 2 2.964 0.221 -6.289 11 HG22 ILE 2 2HG2 ILE 2 3.613 -0.232 -4.704 12 HG23 ILE 2 3HG2 ILE 2 2.855 -1.459 -5.745 13 HD11 ILE 2 3HD1 ILE 2 -0.710 0.256 -7.446 14 HD12 ILE 2 1HD1 ILE 2 0.399 1.438 -6.694 15 HD13 ILE 2 2HD1 ILE 2 1.038 0.069 -7.642 16 H VAL 3 H VAL 3 3.268 -2.439 -3.245 17 HA VAL 3 HA VAL 3 2.174 -4.652 -4.623 18 HB VAL 3 HB VAL 3 4.621 -4.283 -4.331 19 HG11 VAL 3 1HG1 VAL 3 4.326 -5.245 -1.473 20 HG12 VAL 3 2HG1 VAL 3 5.801 -4.744 -2.278 21 HG13 VAL 3 3HG1 VAL 3 4.553 -3.547 -1.919 22 HG21 VAL 3 3HG2 VAL 3 5.265 -6.619 -3.987 23 HG22 VAL 3 1HG2 VAL 3 3.706 -6.978 -3.214 24 HG23 VAL 3 2HG2 VAL 3 3.768 -6.535 -4.932 25 H GLU 4 H GLU 4 2.203 -3.954 -1.060 26 HA GLU 4 HA GLU 4 0.951 -6.535 -0.558 27 HB2 GLU 4 1HB GLU 4 1.669 -4.165 1.145 28 HB3 GLU 4 2HB GLU 4 0.668 -5.485 1.770 29 HG2 GLU 4 1HG GLU 4 2.447 -7.096 1.209 30 HG3 GLU 4 2HG GLU 4 3.484 -5.775 0.668 31 HE2 GLU 4 HE2 GLU 4 3.392 -6.745 4.377 32 H GLN 5 H GLN 5 -0.192 -3.421 -1.456 33 HA GLN 5 HA GLN 5 -2.867 -3.950 -0.364 34 HB2 GLN 5 1HB GLN 5 -1.394 -1.673 -1.312 35 HB3 GLN 5 2HB GLN 5 -2.900 -1.813 -2.233 36 HG2 GLN 5 1HG GLN 5 -2.853 -1.987 0.793 37 HG3 GLN 5 2HG GLN 5 -2.975 -0.441 -0.067 38 HE21 GLN 5 2HE2 GLN 5 -4.679 -3.168 1.108 39 HE22 GLN 5 1HE2 GLN 5 -6.213 -2.777 0.381 40 H CYS 6 H CYS 6 -1.262 -3.989 -3.568 41 HA CYS 6 HA CYS 6 -3.835 -4.910 -4.747 42 HB2 CYS 6 1HB CYS 6 -1.345 -3.720 -5.994 43 HB3 CYS 6 2HB CYS 6 -2.712 -4.350 -6.916 44 H CYS 7 H CYS 7 -0.367 -5.898 -4.522 45 HA CYS 7 HA CYS 7 -0.929 -8.176 -6.301 46 HB2 CYS 7 1HB CYS 7 1.342 -7.030 -5.827 47 HB3 CYS 7 2HB CYS 7 1.395 -8.020 -4.369 48 H THR 8 H THR 8 -0.240 -7.793 -2.802 49 HA THR 8 HA THR 8 -0.951 -10.482 -2.102 50 HB THR 8 HB THR 8 -0.900 -8.020 -0.315 51 HG1 THR 8 HG1 THR 8 1.215 -9.807 -0.895 52 HG21 THR 8 1HG2 THR 8 -0.152 -9.639 1.412 53 HG22 THR 8 2HG2 THR 8 -0.440 -10.957 0.254 54 HG23 THR 8 3HG2 THR 8 -1.796 -9.965 0.846 55 H SER 9 H SER 9 -2.828 -7.400 -1.902 56 HA SER 9 HA SER 9 -5.200 -9.037 -1.132 57 HB2 SER 9 1HB SER 9 -4.684 -6.136 -0.554 58 HB3 SER 9 2HB SER 9 -6.012 -7.132 0.059 59 HG SER 9 HG SER 9 -4.285 -8.478 1.000 60 H ILE 10 H ILE 10 -7.241 -7.385 -1.522 61 HA ILE 10 HA ILE 10 -7.300 -7.010 -4.474 62 HB ILE 10 HB ILE 10 -9.504 -6.937 -2.345 63 HG12 ILE 10 1HG1 ILE 10 -8.577 -9.198 -2.706 64 HG13 ILE 10 2HG1 ILE 10 -10.262 -9.069 -3.170 65 HG21 ILE 10 1HG2 ILE 10 -11.082 -6.999 -4.327 66 HG22 ILE 10 2HG2 ILE 10 -10.171 -5.489 -4.178 67 HG23 ILE 10 3HG2 ILE 10 -9.698 -6.706 -5.396 68 HD11 ILE 10 3HD1 ILE 10 -9.012 -10.436 -4.758 69 HD12 ILE 10 1HD1 ILE 10 -9.635 -8.984 -5.560 70 HD13 ILE 10 2HD1 ILE 10 -7.910 -9.081 -5.104 71 H CYS 11 H CYS 11 -7.285 -4.976 -5.345 72 HA CYS 11 HA CYS 11 -7.921 -2.696 -3.533 73 HB2 CYS 11 1HB CYS 11 -6.041 -1.442 -4.307 74 HB3 CYS 11 2HB CYS 11 -5.427 -3.000 -3.767 75 H SER 12 H SER 12 -8.492 -0.745 -4.872 76 HA SER 12 HA SER 12 -9.641 -1.552 -7.529 77 HB2 SER 12 1HB SER 12 -10.888 0.354 -5.527 78 HB3 SER 12 2HB SER 12 -11.619 -0.260 -7.010 79 HG SER 12 HG SER 12 -12.257 -1.313 -4.961 80 H LEU 13 H LEU 13 -10.361 0.523 -8.743 81 HA LEU 13 HA LEU 13 -8.052 2.036 -9.324 82 HB2 LEU 13 1HB LEU 13 -9.545 3.447 -10.665 83 HB3 LEU 13 2HB LEU 13 -9.854 1.743 -10.916 84 HG LEU 13 HG LEU 13 -11.651 2.854 -8.896 85 HD11 LEU 13 1HD1 LEU 13 -12.956 4.290 -10.446 86 HD12 LEU 13 2HD1 LEU 13 -11.683 4.089 -11.677 87 HD13 LEU 13 3HD1 LEU 13 -11.316 4.936 -10.163 88 HD21 LEU 13 3HD2 LEU 13 -12.205 1.609 -11.608 89 HD22 LEU 13 1HD2 LEU 13 -13.335 1.763 -10.252 90 HD23 LEU 13 2HD2 LEU 13 -11.910 0.692 -10.112 91 H TYR 14 H TYR 14 -10.593 2.620 -6.990 92 HA TYR 14 HA TYR 14 -10.143 5.362 -6.442 93 HB2 TYR 14 1HB TYR 14 -12.024 3.828 -5.661 94 HB3 TYR 14 2HB TYR 14 -10.892 3.185 -4.448 95 HD1 TYR 14 HD2 TYR 14 -10.171 4.630 -2.547 96 HD2 TYR 14 HD1 TYR 14 -12.991 6.049 -5.477 97 HE1 TYR 14 HE2 TYR 14 -10.867 6.478 -0.994 98 HE2 TYR 14 HE1 TYR 14 -13.650 7.898 -3.919 99 HH TYR 14 HH TYR 14 -12.209 8.337 -0.722 100 H GLN 15 H GLN 15 -8.627 2.421 -5.052 101 HA GLN 15 HA GLN 15 -6.915 3.945 -3.288 102 HB2 GLN 15 1HB GLN 15 -6.802 1.097 -4.336 103 HB3 GLN 15 2HB GLN 15 -5.599 1.767 -3.231 104 HG2 GLN 15 1HG GLN 15 -7.184 0.490 -1.930 105 HG3 GLN 15 2HG GLN 15 -7.375 2.205 -1.544 106 HE21 GLN 15 2HE2 GLN 15 -9.479 2.340 -0.971 107 HE22 GLN 15 1HE2 GLN 15 -10.802 1.875 -2.004 108 H LEU 16 H LEU 16 -6.627 2.513 -6.567 109 HA LEU 16 HA LEU 16 -3.880 3.027 -6.842 110 HB2 LEU 16 1HB LEU 16 -6.036 2.874 -8.873 111 HB3 LEU 16 2HB LEU 16 -4.386 3.114 -9.340 112 HG LEU 16 HG LEU 16 -5.762 0.666 -8.326 113 HD11 LEU 16 1HD1 LEU 16 -4.626 -0.314 -10.200 114 HD12 LEU 16 2HD1 LEU 16 -3.613 1.123 -10.408 115 HD13 LEU 16 3HD1 LEU 16 -5.354 1.224 -10.731 116 HD21 LEU 16 3HD2 LEU 16 -3.920 0.745 -6.753 117 HD22 LEU 16 1HD2 LEU 16 -2.778 1.192 -8.052 118 HD23 LEU 16 2HD2 LEU 16 -3.526 -0.426 -8.021 119 H GLU 17 H GLU 17 -6.545 5.311 -7.317 120 HA GLU 17 HA GLU 17 -4.995 7.333 -8.613 121 HB2 GLU 17 1HB GLU 17 -7.283 7.474 -6.632 122 HB3 GLU 17 2HB GLU 17 -6.569 8.899 -7.383 123 HG2 GLU 17 1HG GLU 17 -7.104 7.959 -9.630 124 HG3 GLU 17 2HG GLU 17 -7.918 6.623 -8.818 125 HE2 GLU 17 HE2 GLU 17 -8.373 9.234 -10.271 126 H ASN 18 H ASN 18 -5.048 6.365 -5.153 127 HA ASN 18 HA ASN 18 -3.690 8.786 -4.282 128 HB2 ASN 18 1HB ASN 18 -4.028 6.043 -3.004 129 HB3 ASN 18 2HB ASN 18 -3.216 7.388 -2.219 130 HD21 ASN 18 2HD2 ASN 18 -6.231 5.964 -3.014 131 HD22 ASN 18 1HD2 ASN 18 -7.258 7.209 -2.328 132 H TYR 19 H TYR 19 -2.651 5.856 -5.886 133 HA TYR 19 HA TYR 19 0.154 6.220 -5.005 134 HB2 TYR 19 1HB TYR 19 -1.097 4.364 -7.041 135 HB3 TYR 19 2HB TYR 19 0.602 4.323 -6.495 136 HD1 TYR 19 HD1 TYR 19 0.536 4.494 -3.612 137 HD2 TYR 19 HD2 TYR 19 -2.239 2.549 -6.230 138 HE1 TYR 19 HE1 TYR 19 -0.159 2.963 -1.758 139 HE2 TYR 19 HE2 TYR 19 -2.969 1.049 -4.400 140 HH TYR 19 HH TYR 19 -1.562 1.307 -1.119 141 H CYS 20 H CYS 20 -1.927 7.636 -7.273 142 HA CYS 20 HA CYS 20 0.198 8.087 -9.298 143 HB2 CYS 20 1HB CYS 20 -2.222 7.579 -9.891 144 HB3 CYS 20 2HB CYS 20 -2.616 9.174 -9.229 145 H ASN 21 H ASN 21 -1.921 9.751 -7.045 146 HA ASN 21 HA ASN 21 -1.768 11.640 -5.812 147 HB2 ASN 21 1HB ASN 21 0.660 10.574 -5.530 148 HB3 ASN 21 2HB ASN 21 1.149 12.086 -6.304 149 HD21 ASN 21 2HD2 ASN 21 0.741 10.639 -3.420 150 HD22 ASN 21 1HD2 ASN 21 0.309 12.034 -2.462 151 HXT ASN 21 H02 ASN 21 -0.893 13.819 -5.855 152 H1 PHE 1 2H0 PHE 1 -11.102 -0.753 -16.664 153 H2 PHE 1 1H0 PHE 1 -12.017 -2.134 -16.568 154 HA PHE 1 HA PHE 1 -10.211 -2.114 -14.898 155 HB2 PHE 1 1HB PHE 1 -10.544 0.484 -14.737 156 HB3 PHE 1 2HB PHE 1 -11.802 0.117 -13.600 157 HD1 PHE 1 HD2 PHE 1 -11.106 -1.475 -11.561 158 HD2 PHE 1 HD1 PHE 1 -8.349 0.777 -14.011 159 HE1 PHE 1 HE2 PHE 1 -9.371 -1.646 -9.804 160 HE2 PHE 1 HE1 PHE 1 -6.659 0.643 -12.241 161 HZ PHE 1 HZ PHE 1 -7.159 -0.607 -10.118 162 H VAL 2 H VAL 2 -10.379 -3.647 -13.452 163 HA VAL 2 HA VAL 2 -12.892 -3.902 -11.900 164 HB VAL 2 HB VAL 2 -13.077 -5.547 -13.729 165 HG11 VAL 2 1HG1 VAL 2 -11.539 -7.453 -13.901 166 HG12 VAL 2 2HG1 VAL 2 -10.702 -5.919 -14.222 167 HG13 VAL 2 3HG1 VAL 2 -10.494 -6.726 -12.660 168 HG21 VAL 2 3HG2 VAL 2 -12.487 -6.922 -11.066 169 HG22 VAL 2 1HG2 VAL 2 -13.998 -6.048 -11.469 170 HG23 VAL 2 2HG2 VAL 2 -13.546 -7.505 -12.368 171 H ASN 3 H ASN 3 -12.599 -4.501 -9.805 172 HA ASN 3 HA ASN 3 -9.906 -4.147 -8.746 173 HB2 ASN 3 1HB ASN 3 -11.041 -4.428 -6.542 174 HB3 ASN 3 2HB ASN 3 -11.700 -3.119 -7.534 175 HD21 ASN 3 2HD2 ASN 3 -12.419 -5.817 -5.703 176 HD22 ASN 3 1HD2 ASN 3 -14.063 -6.014 -6.227 177 H GLN 4 H GLN 4 -8.491 -5.763 -8.516 178 HA GLN 4 HA GLN 4 -9.286 -8.476 -7.730 179 HB2 GLN 4 1HB GLN 4 -8.461 -9.555 -9.789 180 HB3 GLN 4 2HB GLN 4 -9.849 -8.529 -10.172 181 HG2 GLN 4 1HG GLN 4 -8.299 -6.755 -10.936 182 HG3 GLN 4 2HG GLN 4 -6.928 -7.830 -10.633 183 HE21 GLN 4 2HE2 GLN 4 -7.656 -6.645 -13.125 184 HE22 GLN 4 1HE2 GLN 4 -8.028 -7.953 -14.218 185 H HIS 5 H HIS 5 -7.044 -9.817 -7.985 186 HA HIS 5 HA HIS 5 -5.008 -8.209 -6.661 187 HB2 HIS 5 1HB HIS 5 -4.954 -11.027 -7.825 188 HB3 HIS 5 2HB HIS 5 -3.614 -10.283 -6.945 189 HD1 HIS 5 HD1 HIS 5 -3.969 -9.680 -4.405 190 HD2 HIS 5 HD2 HIS 5 -6.991 -12.012 -6.133 191 HE1 HIS 5 HE1 HIS 5 -5.374 -10.634 -2.479 192 HE2 HIS 5 HE2 HIS 5 -7.139 -12.090 -3.546 193 H LEU 6 H LEU 6 -3.408 -7.073 -7.578 194 HA LEU 6 HA LEU 6 -2.896 -7.433 -10.513 195 HB2 LEU 6 1HB LEU 6 -3.493 -4.891 -8.958 196 HB3 LEU 6 2HB LEU 6 -2.697 -4.891 -10.534 197 HG LEU 6 HG LEU 6 -5.369 -6.213 -10.178 198 HD11 LEU 6 1HD1 LEU 6 -5.668 -3.937 -9.342 199 HD12 LEU 6 2HD1 LEU 6 -6.378 -4.061 -10.959 200 HD13 LEU 6 3HD1 LEU 6 -4.807 -3.285 -10.750 201 HD21 LEU 6 3HD2 LEU 6 -3.935 -4.961 -12.545 202 HD22 LEU 6 1HD2 LEU 6 -5.571 -5.671 -12.577 203 HD23 LEU 6 2HD2 LEU 6 -4.185 -6.705 -12.227 204 H CYS 7 H CYS 7 -0.795 -7.398 -10.991 205 HA CYS 7 HA CYS 7 1.166 -6.322 -9.075 206 HB2 CYS 7 1HB CYS 7 0.421 -8.901 -8.765 207 HB3 CYS 7 2HB CYS 7 1.666 -9.120 -10.022 208 H GLY 8 H GLY 8 3.386 -6.373 -10.063 209 HA2 GLY 8 1HA GLY 8 4.786 -5.918 -11.824 210 HA3 GLY 8 2HA GLY 8 4.005 -7.272 -12.596 211 H SER 9 H SER 9 3.889 -6.668 -14.677 212 HA SER 9 HA SER 9 3.358 -4.045 -15.642 213 HB2 SER 9 1HB SER 9 2.738 -5.346 -17.741 214 HB3 SER 9 2HB SER 9 4.351 -5.656 -17.082 215 HG SER 9 HG SER 9 3.180 -7.585 -17.617 216 H HIS 10 H HIS 10 1.156 -6.641 -14.618 217 HA HIS 10 HA HIS 10 -1.180 -5.506 -15.834 218 HB2 HIS 10 1HB HIS 10 -0.619 -7.831 -14.462 219 HB3 HIS 10 2HB HIS 10 -1.588 -6.937 -13.262 220 HD1 HIS 10 HD1 HIS 10 -2.916 -9.446 -14.364 221 HD2 HIS 10 HD2 HIS 10 -3.174 -5.730 -16.289 222 HE1 HIS 10 HE1 HIS 10 -4.962 -9.546 -15.845 223 HE2 HIS 10 HE2 HIS 10 -5.129 -7.299 -17.000 224 H LEU 11 H LEU 11 0.456 -5.070 -12.683 225 HA LEU 11 HA LEU 11 -1.487 -3.252 -11.551 226 HB2 LEU 11 1HB LEU 11 0.980 -4.330 -10.779 227 HB3 LEU 11 2HB LEU 11 1.242 -2.591 -10.832 228 HG LEU 11 HG LEU 11 -0.906 -4.030 -9.251 229 HD11 LEU 11 1HD1 LEU 11 1.404 -4.228 -8.398 230 HD12 LEU 11 2HD1 LEU 11 0.362 -3.312 -7.312 231 HD13 LEU 11 3HD1 LEU 11 1.532 -2.458 -8.359 232 HD21 LEU 11 3HD2 LEU 11 -1.853 -1.945 -9.911 233 HD22 LEU 11 1HD2 LEU 11 -0.350 -1.068 -9.549 234 HD23 LEU 11 2HD2 LEU 11 -1.321 -1.777 -8.232 235 H VAL 12 H VAL 12 1.501 -2.740 -13.475 236 HA VAL 12 HA VAL 12 1.368 0.116 -13.499 237 HB VAL 12 HB VAL 12 2.504 -1.760 -15.626 238 HG11 VAL 12 1HG1 VAL 12 2.999 1.215 -15.184 239 HG12 VAL 12 2HG1 VAL 12 3.871 0.182 -16.332 240 HG13 VAL 12 3HG1 VAL 12 2.139 0.499 -16.558 241 HG21 VAL 12 3HG2 VAL 12 3.814 -0.328 -13.292 242 HG22 VAL 12 1HG2 VAL 12 3.582 -2.078 -13.461 243 HG23 VAL 12 2HG2 VAL 12 4.689 -1.235 -14.560 244 H GLU 13 H GLU 13 -0.044 -2.293 -15.786 245 HA GLU 13 HA GLU 13 -1.215 -0.403 -17.562 246 HB2 GLU 13 1HB GLU 13 -1.838 -3.255 -16.758 247 HB3 GLU 13 2HB GLU 13 -2.997 -2.359 -17.737 248 HG2 GLU 13 1HG GLU 13 -1.307 -1.929 -19.451 249 HG3 GLU 13 2HG GLU 13 -0.085 -2.794 -18.486 250 HE2 GLU 13 HE2 GLU 13 -1.491 -5.888 -19.145 251 H ALA 14 H ALA 14 -2.544 -1.895 -14.592 252 HA ALA 14 HA ALA 14 -5.121 -0.681 -14.828 253 HB1 ALA 14 3HB ALA 14 -5.365 -1.218 -12.460 254 HB2 ALA 14 1HB ALA 14 -4.554 -2.542 -13.289 255 HB3 ALA 14 2HB ALA 14 -3.615 -1.412 -12.291 256 H LEU 15 H LEU 15 -2.133 0.412 -13.160 257 HA LEU 15 HA LEU 15 -3.249 2.825 -12.119 258 HB2 LEU 15 1HB LEU 15 -0.781 1.498 -12.090 259 HB3 LEU 15 2HB LEU 15 -0.443 3.034 -12.874 260 HG LEU 15 HG LEU 15 -1.746 2.692 -10.133 261 HD11 LEU 15 1HD1 LEU 15 0.613 1.941 -10.216 262 HD12 LEU 15 2HD1 LEU 15 0.436 3.425 -9.252 263 HD13 LEU 15 3HD1 LEU 15 1.096 3.499 -10.899 264 HD21 LEU 15 3HD2 LEU 15 -2.416 4.822 -11.172 265 HD22 LEU 15 1HD2 LEU 15 -0.704 5.206 -11.526 266 HD23 LEU 15 2HD2 LEU 15 -1.269 5.107 -9.850 267 H TYR 16 H TYR 16 -1.741 2.062 -15.269 268 HA TYR 16 HA TYR 16 -1.696 4.778 -16.206 269 HB2 TYR 16 1HB TYR 16 -0.370 3.039 -17.293 270 HB3 TYR 16 2HB TYR 16 -1.837 2.163 -17.724 271 HD1 TYR 16 HD1 TYR 16 -0.009 5.351 -18.327 272 HD2 TYR 16 HD2 TYR 16 -3.099 2.718 -19.683 273 HE1 TYR 16 HE1 TYR 16 -0.235 6.684 -20.436 274 HE2 TYR 16 HE2 TYR 16 -3.322 4.044 -21.791 275 HH TYR 16 HH TYR 16 -2.510 5.821 -23.026 276 H LEU 17 H LEU 17 -4.177 2.170 -16.348 277 HA LEU 17 HA LEU 17 -5.850 3.668 -18.173 278 HB2 LEU 17 1HB LEU 17 -6.437 1.401 -16.230 279 HB3 LEU 17 2HB LEU 17 -7.667 2.088 -17.313 280 HG LEU 17 HG LEU 17 -5.062 0.912 -18.345 281 HD11 LEU 17 1HD1 LEU 17 -6.283 -1.146 -18.827 282 HD12 LEU 17 2HD1 LEU 17 -7.745 -0.492 -18.071 283 HD13 LEU 17 3HD1 LEU 17 -6.307 -0.829 -17.091 284 HD21 LEU 17 3HD2 LEU 17 -6.208 2.384 -19.909 285 HD22 LEU 17 1HD2 LEU 17 -7.728 1.494 -19.663 286 HD23 LEU 17 2HD2 LEU 17 -6.342 0.692 -20.442 287 H VAL 18 H VAL 18 -5.737 3.412 -14.593 288 HA VAL 18 HA VAL 18 -8.049 5.150 -14.410 289 HB VAL 18 HB VAL 18 -7.610 3.503 -12.648 290 HG11 VAL 18 1HG1 VAL 18 -5.207 5.141 -11.867 291 HG12 VAL 18 2HG1 VAL 18 -5.846 3.745 -11.023 292 HG13 VAL 18 3HG1 VAL 18 -5.180 3.546 -12.628 293 HG21 VAL 18 3HG2 VAL 18 -8.919 5.462 -12.046 294 HG22 VAL 18 1HG2 VAL 18 -7.912 4.949 -10.661 295 HG23 VAL 18 2HG2 VAL 18 -7.443 6.341 -11.633 296 H CYS 19 H CYS 19 -4.534 5.716 -14.244 297 HA CYS 19 HA CYS 19 -5.175 8.636 -13.933 298 HB2 CYS 19 1HB CYS 19 -4.100 7.339 -11.980 299 HB3 CYS 19 2HB CYS 19 -2.631 7.366 -12.980 300 H GLY 20 H GLY 20 -2.934 6.371 -15.540 301 HA2 GLY 20 1HA GLY 20 -1.258 8.403 -16.594 302 HA3 GLY 20 2HA GLY 20 -1.457 6.801 -17.294 303 H GLU 21 H GLU 21 -4.315 7.060 -17.758 304 HA GLU 21 HA GLU 21 -4.280 8.546 -20.269 305 HB2 GLU 21 1HB GLU 21 -6.534 7.248 -18.679 306 HB3 GLU 21 2HB GLU 21 -6.747 7.991 -20.275 307 HG2 GLU 21 1HG GLU 21 -4.978 6.400 -21.141 308 HG3 GLU 21 2HG GLU 21 -5.076 5.557 -19.593 309 HE2 GLU 21 HE2 GLU 21 -6.104 5.674 -22.525 310 H ARG 22 H ARG 22 -4.809 9.541 -17.025 311 HA ARG 22 HA ARG 22 -6.598 11.766 -17.789 312 HB2 ARG 22 1HB ARG 22 -5.292 10.965 -15.146 313 HB3 ARG 22 2HB ARG 22 -6.285 12.415 -15.363 314 HG2 ARG 22 1HG ARG 22 -7.275 9.594 -15.824 315 HG3 ARG 22 2HG ARG 22 -7.513 10.544 -14.350 316 HD2 ARG 22 1HD ARG 22 -9.251 11.574 -15.262 317 HD3 ARG 22 2HD ARG 22 -8.207 12.185 -16.556 318 HE ARG 22 HE ARG 22 -9.006 9.434 -16.952 319 HH11 ARG 22 1HH1 ARG 22 -10.033 12.766 -17.496 320 HH12 ARG 22 2HH1 ARG 22 -11.100 12.323 -18.796 321 HH21 ARG 22 1HH2 ARG 22 -10.366 8.945 -18.618 322 HH22 ARG 22 2HH2 ARG 22 -11.250 10.184 -19.469 323 H GLY 23 H GLY 23 -3.286 11.087 -16.788 324 HA2 GLY 23 1HA GLY 23 -1.607 12.492 -18.060 325 HA3 GLY 23 2HA GLY 23 -2.530 13.889 -17.444 326 H GLY 24 H GLY 24 0.264 12.581 -16.995 327 HA2 GLY 24 1HA GLY 24 1.643 13.112 -15.087 328 HA3 GLY 24 2HA GLY 24 0.223 12.959 -14.029 329 H PHE 25 H PHE 25 2.570 11.153 -16.015 330 HA PHE 25 HA PHE 25 2.137 8.846 -14.219 331 HB2 PHE 25 1HB PHE 25 0.824 8.667 -16.432 332 HB3 PHE 25 2HB PHE 25 2.395 8.433 -17.213 333 HD1 PHE 25 HD1 PHE 25 0.498 7.147 -14.226 334 HD2 PHE 25 HD2 PHE 25 3.097 6.229 -17.532 335 HE1 PHE 25 HE1 PHE 25 0.437 4.738 -13.592 336 HE2 PHE 25 HE2 PHE 25 3.013 3.808 -16.909 337 HZ PHE 25 HZ PHE 25 1.699 3.059 -14.925 338 H TYR 26 H TYR 26 3.977 7.468 -14.052 339 HA TYR 26 HA TYR 26 6.448 9.040 -14.456 340 HB2 TYR 26 1HB TYR 26 7.360 7.615 -12.715 341 HB3 TYR 26 2HB TYR 26 5.818 8.277 -12.189 342 HD1 TYR 26 HD1 TYR 26 3.710 6.773 -12.297 343 HD2 TYR 26 HD2 TYR 26 7.707 5.250 -12.744 344 HE1 TYR 26 HE1 TYR 26 2.894 4.455 -11.833 345 HE2 TYR 26 HE2 TYR 26 6.877 2.941 -12.263 346 HH TYR 26 HH TYR 26 5.054 1.638 -11.753 347 H NVA 27 H ARX 27 4.863 6.527 -15.930 348 HA NVA 27 HA ARX 27 5.384 4.658 -17.104 349 HB2 NVA 27 1HB ARX 27 5.661 6.932 -18.516 350 HB3 NVA 27 2HB ARX 27 7.249 6.247 -18.799 351 HG2 NVA 27 1HG ARX 27 5.670 4.004 -19.241 352 HG3 NVA 27 2HG ARX 27 4.532 5.266 -19.655 353 HD2 NVA 27 1HD ARX 27 5.546 4.747 -21.681 354 HD3 NVA 27 2HD ARX 27 6.432 6.222 -21.213 355 HA PRO 28 HA PRO 28 9.360 2.938 -15.616 356 HB2 PRO 28 1HB PRO 28 8.464 0.550 -14.676 357 HB3 PRO 28 2HB PRO 28 8.204 2.077 -13.785 358 HG2 PRO 28 1HG PRO 28 6.293 0.596 -15.562 359 HG3 PRO 28 2HG PRO 28 6.003 1.312 -13.942 360 HD2 PRO 28 1HD PRO 28 5.356 2.512 -16.363 361 HD3 PRO 28 2HD PRO 28 5.655 3.415 -14.840 362 H HIX 29 H HIX 29 9.860 3.016 -17.935 363 HA HIX 29 HA HIX 29 9.109 0.944 -19.814 364 HB1 HIX 29 1HB HIX 29 11.172 3.200 -19.843 365 HB2 HIX 29 2HB HIX 29 11.048 2.056 -21.164 366 HD2 HIX 29 HD2 HIX 29 7.987 3.858 -19.186 367 HD1 HIX 29 HD1 HIX 29 9.662 3.367 -23.033 368 H THR 30 H THR 30 10.381 -0.123 -17.355 369 HA THR 30 HA THR 30 12.973 -1.186 -17.779 370 HB THR 30 HB THR 30 10.814 -2.636 -16.163 371 HG1 THR 30 HG1 THR 30 11.987 -0.065 -15.806 372 HG21 THR 30 1HG2 THR 30 12.742 -2.821 -14.533 373 HG22 THR 30 2HG2 THR 30 13.760 -1.916 -15.650 374 HG23 THR 30 3HG2 THR 30 13.163 -3.545 -16.093 375 HXT THR 30 H02 THR 30 12.614 -3.804 -19.784 Start of MODEL 22 1 H1 GLY 1 2H0 GLY 1 1.926 -0.898 1.420 2 H2 GLY 1 1H0 GLY 1 2.913 0.395 1.696 3 HA2 GLY 1 1HA GLY 1 3.124 0.792 -0.707 4 HA3 GLY 1 2HA GLY 1 3.770 -0.799 -0.255 5 H ILE 2 H ILE 2 2.679 0.410 -2.758 6 HA ILE 2 HA ILE 2 0.160 -0.540 -3.491 7 HB ILE 2 HB ILE 2 1.635 1.019 -4.851 8 HG12 ILE 2 1HG1 ILE 2 1.097 0.070 -7.111 9 HG13 ILE 2 2HG1 ILE 2 0.579 -1.396 -6.319 10 HG21 ILE 2 1HG2 ILE 2 3.105 -1.521 -5.709 11 HG22 ILE 2 2HG2 ILE 2 3.348 0.124 -6.393 12 HG23 ILE 2 3HG2 ILE 2 3.784 -0.212 -4.697 13 HD11 ILE 2 3HD1 ILE 2 -1.173 -0.176 -5.120 14 HD12 ILE 2 1HD1 ILE 2 -0.617 1.319 -5.890 15 HD13 ILE 2 2HD1 ILE 2 -1.313 0.032 -6.882 16 H VAL 3 H VAL 3 3.200 -2.368 -3.275 17 HA VAL 3 HA VAL 3 2.287 -4.638 -4.747 18 HB VAL 3 HB VAL 3 4.361 -4.342 -2.548 19 HG11 VAL 3 1HG1 VAL 3 3.604 -6.712 -2.634 20 HG12 VAL 3 2HG1 VAL 3 3.886 -6.740 -4.392 21 HG13 VAL 3 3HG1 VAL 3 5.241 -6.536 -3.272 22 HG21 VAL 3 3HG2 VAL 3 4.612 -4.651 -5.562 23 HG22 VAL 3 1HG2 VAL 3 4.833 -3.130 -4.670 24 HG23 VAL 3 2HG2 VAL 3 5.980 -4.473 -4.429 25 H GLU 4 H GLU 4 2.099 -3.921 -1.172 26 HA GLU 4 HA GLU 4 0.771 -6.498 -0.809 27 HB2 GLU 4 1HB GLU 4 1.244 -4.125 1.046 28 HB3 GLU 4 2HB GLU 4 0.375 -5.611 1.528 29 HG2 GLU 4 1HG GLU 4 2.351 -6.946 0.861 30 HG3 GLU 4 2HG GLU 4 3.242 -5.446 0.547 31 HE2 GLU 4 HE2 GLU 4 4.279 -5.510 3.736 32 H GLN 5 H GLN 5 -0.234 -3.261 -1.554 33 HA GLN 5 HA GLN 5 -2.976 -3.564 -0.738 34 HB2 GLN 5 1HB GLN 5 -1.738 -1.401 -1.209 35 HB3 GLN 5 2HB GLN 5 -1.906 -1.755 -2.939 36 HG2 GLN 5 1HG GLN 5 -3.688 -0.245 -2.298 37 HG3 GLN 5 2HG GLN 5 -4.380 -1.833 -2.634 38 HE21 GLN 5 2HE2 GLN 5 -5.848 -2.525 -1.235 39 HE22 GLN 5 1HE2 GLN 5 -5.918 -2.073 0.457 40 H CYS 6 H CYS 6 -1.241 -4.117 -3.839 41 HA CYS 6 HA CYS 6 -3.807 -5.108 -4.997 42 HB2 CYS 6 1HB CYS 6 -1.293 -4.057 -6.287 43 HB3 CYS 6 2HB CYS 6 -2.653 -4.754 -7.177 44 H CYS 7 H CYS 7 -0.346 -6.086 -4.675 45 HA CYS 7 HA CYS 7 -0.832 -8.452 -6.337 46 HB2 CYS 7 1HB CYS 7 1.503 -7.832 -4.485 47 HB3 CYS 7 2HB CYS 7 1.479 -9.066 -5.723 48 H THR 8 H THR 8 -0.982 -7.573 -2.952 49 HA THR 8 HA THR 8 -1.238 -10.420 -2.207 50 HB THR 8 HB THR 8 -1.028 -7.975 -0.423 51 HG1 THR 8 HG1 THR 8 0.807 -9.417 -1.818 52 HG21 THR 8 1HG2 THR 8 -0.440 -9.619 1.316 53 HG22 THR 8 2HG2 THR 8 -0.751 -10.946 0.160 54 HG23 THR 8 3HG2 THR 8 -2.091 -9.892 0.710 55 H SER 9 H SER 9 -3.003 -7.308 -1.631 56 HA SER 9 HA SER 9 -5.471 -8.944 -1.182 57 HB2 SER 9 1HB SER 9 -6.340 -6.901 -0.109 58 HB3 SER 9 2HB SER 9 -4.868 -7.518 0.654 59 HG SER 9 HG SER 9 -4.835 -5.445 -1.309 60 H ILE 10 H ILE 10 -7.436 -7.218 -1.674 61 HA ILE 10 HA ILE 10 -7.366 -6.900 -4.627 62 HB ILE 10 HB ILE 10 -9.598 -6.576 -2.562 63 HG12 ILE 10 1HG1 ILE 10 -8.829 -8.910 -2.863 64 HG13 ILE 10 2HG1 ILE 10 -10.500 -8.648 -3.316 65 HG21 ILE 10 1HG2 ILE 10 -10.168 -5.135 -4.367 66 HG22 ILE 10 2HG2 ILE 10 -9.655 -6.325 -5.592 67 HG23 ILE 10 3HG2 ILE 10 -11.116 -6.611 -4.613 68 HD11 ILE 10 3HD1 ILE 10 -9.934 -8.687 -5.708 69 HD12 ILE 10 1HD1 ILE 10 -8.206 -8.877 -5.313 70 HD13 ILE 10 2HD1 ILE 10 -9.364 -10.165 -4.905 71 H CYS 11 H CYS 11 -7.409 -4.854 -5.595 72 HA CYS 11 HA CYS 11 -7.687 -2.529 -3.785 73 HB2 CYS 11 1HB CYS 11 -5.842 -1.412 -4.893 74 HB3 CYS 11 2HB CYS 11 -5.294 -2.906 -4.121 75 H SER 12 H SER 12 -8.446 -0.626 -4.749 76 HA SER 12 HA SER 12 -9.975 -1.165 -7.291 77 HB2 SER 12 1HB SER 12 -11.687 0.299 -6.380 78 HB3 SER 12 2HB SER 12 -11.306 -0.937 -5.161 79 HG SER 12 HG SER 12 -11.253 0.943 -4.050 80 H LEU 13 H LEU 13 -10.561 0.814 -8.487 81 HA LEU 13 HA LEU 13 -8.322 2.251 -9.296 82 HB2 LEU 13 1HB LEU 13 -9.925 3.750 -10.398 83 HB3 LEU 13 2HB LEU 13 -10.161 2.070 -10.766 84 HG LEU 13 HG LEU 13 -11.897 3.457 -8.742 85 HD11 LEU 13 1HD1 LEU 13 -11.856 4.870 -10.726 86 HD12 LEU 13 2HD1 LEU 13 -13.411 4.026 -10.605 87 HD13 LEU 13 3HD1 LEU 13 -12.199 3.472 -11.763 88 HD21 LEU 13 3HD2 LEU 13 -13.636 1.863 -9.669 89 HD22 LEU 13 1HD2 LEU 13 -12.284 1.048 -8.865 90 HD23 LEU 13 2HD2 LEU 13 -12.355 1.115 -10.651 91 H TYR 14 H TYR 14 -10.750 3.009 -6.869 92 HA TYR 14 HA TYR 14 -10.191 5.718 -6.346 93 HB2 TYR 14 1HB TYR 14 -12.094 4.272 -5.515 94 HB3 TYR 14 2HB TYR 14 -10.950 3.501 -4.426 95 HD1 TYR 14 HD1 TYR 14 -9.998 4.723 -2.471 96 HD2 TYR 14 HD2 TYR 14 -12.985 6.516 -5.018 97 HE1 TYR 14 HE1 TYR 14 -10.486 6.458 -0.705 98 HE2 TYR 14 HE2 TYR 14 -13.445 8.218 -3.254 99 HH TYR 14 HH TYR 14 -12.940 8.979 -1.149 100 H GLN 15 H GLN 15 -8.655 2.741 -5.122 101 HA GLN 15 HA GLN 15 -6.899 4.258 -3.357 102 HB2 GLN 15 1HB GLN 15 -6.917 1.360 -4.191 103 HB3 GLN 15 2HB GLN 15 -5.802 2.051 -2.997 104 HG2 GLN 15 1HG GLN 15 -7.650 2.596 -1.529 105 HG3 GLN 15 2HG GLN 15 -8.847 2.123 -2.759 106 HE21 GLN 15 2HE2 GLN 15 -7.976 1.119 0.061 107 HE22 GLN 15 1HE2 GLN 15 -7.947 -0.634 -0.192 108 H LEU 16 H LEU 16 -6.711 2.635 -6.535 109 HA LEU 16 HA LEU 16 -3.914 2.797 -6.921 110 HB2 LEU 16 1HB LEU 16 -6.282 2.640 -8.673 111 HB3 LEU 16 2HB LEU 16 -4.831 3.239 -9.414 112 HG LEU 16 HG LEU 16 -5.164 0.888 -9.915 113 HD11 LEU 16 1HD1 LEU 16 -2.934 1.643 -9.907 114 HD12 LEU 16 2HD1 LEU 16 -2.953 0.028 -9.169 115 HD13 LEU 16 3HD1 LEU 16 -2.775 1.493 -8.150 116 HD21 LEU 16 3HD2 LEU 16 -4.817 0.420 -6.960 117 HD22 LEU 16 1HD2 LEU 16 -4.905 -0.827 -8.229 118 HD23 LEU 16 2HD2 LEU 16 -6.310 0.200 -7.898 119 H GLU 17 H GLU 17 -6.412 5.290 -7.381 120 HA GLU 17 HA GLU 17 -4.791 7.199 -8.744 121 HB2 GLU 17 1HB GLU 17 -7.180 7.408 -6.921 122 HB3 GLU 17 2HB GLU 17 -6.415 8.846 -7.590 123 HG2 GLU 17 1HG GLU 17 -6.758 7.884 -9.869 124 HG3 GLU 17 2HG GLU 17 -7.649 6.555 -9.116 125 HE2 GLU 17 HE2 GLU 17 -9.673 9.454 -10.211 126 H ASN 18 H ASN 18 -4.825 6.327 -5.311 127 HA ASN 18 HA ASN 18 -3.509 8.760 -4.430 128 HB2 ASN 18 1HB ASN 18 -3.741 6.001 -3.149 129 HB3 ASN 18 2HB ASN 18 -2.968 7.402 -2.386 130 HD21 ASN 18 2HD2 ASN 18 -5.927 5.829 -3.068 131 HD22 ASN 18 1HD2 ASN 18 -6.964 7.023 -2.360 132 H TYR 19 H TYR 19 -2.449 6.036 -6.207 133 HA TYR 19 HA TYR 19 0.376 6.431 -5.373 134 HB2 TYR 19 1HB TYR 19 -0.923 4.393 -7.190 135 HB3 TYR 19 2HB TYR 19 0.771 4.375 -6.685 136 HD1 TYR 19 HD2 TYR 19 1.325 3.914 -4.225 137 HD2 TYR 19 HD1 TYR 19 -2.665 3.622 -5.779 138 HE1 TYR 19 HE2 TYR 19 0.608 2.547 -2.215 139 HE2 TYR 19 HE1 TYR 19 -3.350 2.241 -3.847 140 HH TYR 19 HH TYR 19 -1.194 1.496 -1.143 141 H CYS 20 H CYS 20 -1.690 7.920 -7.263 142 HA CYS 20 HA CYS 20 0.224 8.344 -9.553 143 HB2 CYS 20 1HB CYS 20 -2.009 7.492 -10.184 144 HB3 CYS 20 2HB CYS 20 -2.789 8.814 -9.301 145 H ASN 21 H ASN 21 -2.098 9.813 -7.282 146 HA ASN 21 HA ASN 21 -1.316 12.571 -7.737 147 HB2 ASN 21 1HB ASN 21 -3.543 11.772 -6.768 148 HB3 ASN 21 2HB ASN 21 -2.682 11.299 -5.298 149 HD21 ASN 21 2HD2 ASN 21 -2.983 12.773 -3.721 150 HD22 ASN 21 1HD2 ASN 21 -3.022 14.493 -3.945 151 HXT ASN 21 H02 ASN 21 1.383 12.892 -5.851 152 H1 PHE 1 2H0 PHE 1 -11.518 0.119 -16.370 153 H2 PHE 1 1H0 PHE 1 -12.655 -1.094 -16.152 154 HA PHE 1 HA PHE 1 -10.613 -1.415 -14.761 155 HB2 PHE 1 1HB PHE 1 -10.517 1.166 -14.465 156 HB3 PHE 1 2HB PHE 1 -11.733 0.945 -13.210 157 HD1 PHE 1 HD1 PHE 1 -11.104 -0.878 -11.320 158 HD2 PHE 1 HD2 PHE 1 -8.245 1.154 -13.842 159 HE1 PHE 1 HE1 PHE 1 -9.317 -1.354 -9.693 160 HE2 PHE 1 HE2 PHE 1 -6.486 0.683 -12.165 161 HZ PHE 1 HZ PHE 1 -7.015 -0.551 -10.129 162 H VAL 2 H VAL 2 -10.841 -2.977 -13.488 163 HA VAL 2 HA VAL 2 -13.283 -3.213 -11.771 164 HB VAL 2 HB VAL 2 -11.816 -5.437 -13.255 165 HG11 VAL 2 1HG1 VAL 2 -12.632 -6.252 -11.121 166 HG12 VAL 2 2HG1 VAL 2 -14.223 -5.502 -11.425 167 HG13 VAL 2 3HG1 VAL 2 -13.680 -6.850 -12.428 168 HG21 VAL 2 3HG2 VAL 2 -13.994 -5.705 -14.481 169 HG22 VAL 2 1HG2 VAL 2 -14.581 -4.209 -13.695 170 HG23 VAL 2 2HG2 VAL 2 -13.188 -4.142 -14.823 171 H ASN 3 H ASN 3 -12.899 -3.777 -9.689 172 HA ASN 3 HA ASN 3 -10.134 -3.604 -8.765 173 HB2 ASN 3 1HB ASN 3 -11.059 -3.801 -6.510 174 HB3 ASN 3 2HB ASN 3 -11.899 -2.549 -7.424 175 HD21 ASN 3 2HD2 ASN 3 -14.045 -2.840 -8.051 176 HD22 ASN 3 1HD2 ASN 3 -15.031 -4.086 -7.318 177 H GLN 4 H GLN 4 -8.791 -5.261 -8.250 178 HA GLN 4 HA GLN 4 -9.598 -8.013 -7.800 179 HB2 GLN 4 1HB GLN 4 -8.749 -8.905 -9.936 180 HB3 GLN 4 2HB GLN 4 -10.130 -7.861 -10.206 181 HG2 GLN 4 1HG GLN 4 -8.395 -6.011 -10.677 182 HG3 GLN 4 2HG GLN 4 -7.227 -7.335 -10.748 183 HE21 GLN 4 2HE2 GLN 4 -9.342 -5.446 -12.469 184 HE22 GLN 4 1HE2 GLN 4 -9.490 -6.448 -13.900 185 H HIS 5 H HIS 5 -7.386 -9.359 -8.268 186 HA HIS 5 HA HIS 5 -5.260 -7.944 -6.795 187 HB2 HIS 5 1HB HIS 5 -5.393 -10.724 -8.021 188 HB3 HIS 5 2HB HIS 5 -4.013 -10.069 -7.115 189 HD1 HIS 5 HD1 HIS 5 -4.401 -9.538 -4.530 190 HD2 HIS 5 HD2 HIS 5 -7.409 -11.756 -6.415 191 HE1 HIS 5 HE1 HIS 5 -5.810 -10.603 -2.675 192 HE2 HIS 5 HE2 HIS 5 -7.575 -11.980 -3.827 193 H LEU 6 H LEU 6 -3.462 -7.063 -7.734 194 HA LEU 6 HA LEU 6 -2.977 -7.519 -10.670 195 HB2 LEU 6 1HB LEU 6 -3.394 -4.853 -9.273 196 HB3 LEU 6 2HB LEU 6 -2.631 -5.015 -10.856 197 HG LEU 6 HG LEU 6 -5.370 -6.160 -10.428 198 HD11 LEU 6 1HD1 LEU 6 -6.327 -3.938 -11.105 199 HD12 LEU 6 2HD1 LEU 6 -4.750 -3.224 -10.682 200 HD13 LEU 6 3HD1 LEU 6 -5.706 -4.039 -9.430 201 HD21 LEU 6 3HD2 LEU 6 -5.626 -5.505 -12.785 202 HD22 LEU 6 1HD2 LEU 6 -4.174 -6.507 -12.571 203 HD23 LEU 6 2HD2 LEU 6 -4.037 -4.739 -12.768 204 H CYS 7 H CYS 7 -0.814 -7.426 -11.209 205 HA CYS 7 HA CYS 7 1.080 -6.250 -9.308 206 HB2 CYS 7 1HB CYS 7 0.504 -8.788 -8.722 207 HB3 CYS 7 2HB CYS 7 1.687 -9.100 -9.991 208 H GLY 8 H GLY 8 3.410 -6.475 -10.214 209 HA2 GLY 8 1HA GLY 8 4.869 -6.079 -11.967 210 HA3 GLY 8 2HA GLY 8 3.967 -7.366 -12.802 211 H SER 9 H SER 9 4.050 -6.550 -14.835 212 HA SER 9 HA SER 9 3.500 -3.852 -15.528 213 HB2 SER 9 1HB SER 9 2.900 -6.272 -17.260 214 HB3 SER 9 2HB SER 9 3.483 -4.666 -17.743 215 HG SER 9 HG SER 9 5.291 -5.818 -17.694 216 H HIS 10 H HIS 10 1.288 -6.517 -14.736 217 HA HIS 10 HA HIS 10 -1.012 -5.284 -15.959 218 HB2 HIS 10 1HB HIS 10 -0.500 -7.746 -14.862 219 HB3 HIS 10 2HB HIS 10 -1.424 -6.989 -13.570 220 HD1 HIS 10 HD1 HIS 10 -2.767 -9.351 -14.985 221 HD2 HIS 10 HD2 HIS 10 -3.079 -5.409 -16.358 222 HE1 HIS 10 HE1 HIS 10 -4.862 -9.229 -16.412 223 HE2 HIS 10 HE2 HIS 10 -5.039 -6.876 -17.264 224 H LEU 11 H LEU 11 0.603 -5.018 -12.791 225 HA LEU 11 HA LEU 11 -1.433 -3.288 -11.597 226 HB2 LEU 11 1HB LEU 11 0.982 -4.422 -10.769 227 HB3 LEU 11 2HB LEU 11 1.335 -2.690 -10.854 228 HG LEU 11 HG LEU 11 -0.853 -3.975 -9.220 229 HD11 LEU 11 1HD1 LEU 11 1.714 -2.576 -8.358 230 HD12 LEU 11 2HD1 LEU 11 1.521 -4.338 -8.449 231 HD13 LEU 11 3HD1 LEU 11 0.543 -3.408 -7.296 232 HD21 LEU 11 3HD2 LEU 11 0.004 -1.070 -9.374 233 HD22 LEU 11 1HD2 LEU 11 -1.164 -1.750 -8.238 234 HD23 LEU 11 2HD2 LEU 11 -1.545 -1.732 -9.963 235 H VAL 12 H VAL 12 1.581 -2.732 -13.493 236 HA VAL 12 HA VAL 12 1.406 0.135 -13.388 237 HB VAL 12 HB VAL 12 2.538 -1.601 -15.593 238 HG11 VAL 12 1HG1 VAL 12 2.944 1.342 -14.961 239 HG12 VAL 12 2HG1 VAL 12 3.982 0.407 -16.058 240 HG13 VAL 12 3HG1 VAL 12 2.257 0.658 -16.447 241 HG21 VAL 12 3HG2 VAL 12 3.920 -0.291 -13.221 242 HG22 VAL 12 1HG2 VAL 12 3.560 -2.033 -13.356 243 HG23 VAL 12 2HG2 VAL 12 4.692 -1.274 -14.498 244 H GLU 13 H GLU 13 -0.008 -2.246 -15.643 245 HA GLU 13 HA GLU 13 -1.215 -0.344 -17.400 246 HB2 GLU 13 1HB GLU 13 -1.783 -3.227 -16.684 247 HB3 GLU 13 2HB GLU 13 -2.945 -2.323 -17.660 248 HG2 GLU 13 1HG GLU 13 -1.267 -1.848 -19.337 249 HG3 GLU 13 2HG GLU 13 -0.029 -2.653 -18.364 250 HE2 GLU 13 HE2 GLU 13 -1.151 -5.770 -19.144 251 H ALA 14 H ALA 14 -2.462 -1.865 -14.390 252 HA ALA 14 HA ALA 14 -5.070 -0.688 -14.596 253 HB1 ALA 14 3HB ALA 14 -5.193 -1.100 -12.159 254 HB2 ALA 14 1HB ALA 14 -4.570 -2.489 -13.029 255 HB3 ALA 14 2HB ALA 14 -3.446 -1.458 -12.127 256 H LEU 15 H LEU 15 -2.077 0.484 -12.968 257 HA LEU 15 HA LEU 15 -3.177 2.922 -11.991 258 HB2 LEU 15 1HB LEU 15 -0.755 1.575 -11.929 259 HB3 LEU 15 2HB LEU 15 -0.354 2.985 -12.873 260 HG LEU 15 HG LEU 15 -1.497 3.007 -10.069 261 HD11 LEU 15 1HD1 LEU 15 0.704 3.672 -9.372 262 HD12 LEU 15 2HD1 LEU 15 1.293 3.611 -11.053 263 HD13 LEU 15 3HD1 LEU 15 0.781 2.118 -10.220 264 HD21 LEU 15 3HD2 LEU 15 -0.465 5.357 -11.705 265 HD22 LEU 15 1HD2 LEU 15 -0.963 5.386 -9.988 266 HD23 LEU 15 2HD2 LEU 15 -2.163 5.060 -11.252 267 H TYR 16 H TYR 16 -1.763 2.013 -15.159 268 HA TYR 16 HA TYR 16 -1.780 4.671 -16.276 269 HB2 TYR 16 1HB TYR 16 -0.446 3.027 -17.349 270 HB3 TYR 16 2HB TYR 16 -1.774 1.876 -17.429 271 HD1 TYR 16 HD1 TYR 16 -0.562 5.123 -18.873 272 HD2 TYR 16 HD2 TYR 16 -3.286 1.816 -19.238 273 HE1 TYR 16 HE1 TYR 16 -1.218 5.904 -21.164 274 HE2 TYR 16 HE2 TYR 16 -3.931 2.600 -21.516 275 HH TYR 16 HH TYR 16 -3.628 4.181 -23.131 276 H LEU 17 H LEU 17 -4.228 1.994 -16.308 277 HA LEU 17 HA LEU 17 -5.962 3.309 -18.137 278 HB2 LEU 17 1HB LEU 17 -6.421 1.152 -16.053 279 HB3 LEU 17 2HB LEU 17 -7.703 1.748 -17.112 280 HG LEU 17 HG LEU 17 -5.106 0.561 -18.134 281 HD11 LEU 17 1HD1 LEU 17 -7.797 -0.781 -17.734 282 HD12 LEU 17 2HD1 LEU 17 -6.334 -1.091 -16.789 283 HD13 LEU 17 3HD1 LEU 17 -6.377 -1.497 -18.494 284 HD21 LEU 17 3HD2 LEU 17 -7.791 1.035 -19.486 285 HD22 LEU 17 1HD2 LEU 17 -6.370 0.231 -20.211 286 HD23 LEU 17 2HD2 LEU 17 -6.299 1.964 -19.772 287 H VAL 18 H VAL 18 -5.741 3.338 -14.561 288 HA VAL 18 HA VAL 18 -8.134 5.015 -14.447 289 HB VAL 18 HB VAL 18 -7.641 3.392 -12.685 290 HG11 VAL 18 1HG1 VAL 18 -5.152 3.702 -12.664 291 HG12 VAL 18 2HG1 VAL 18 -5.394 5.206 -11.769 292 HG13 VAL 18 3HG1 VAL 18 -5.927 3.665 -11.085 293 HG21 VAL 18 3HG2 VAL 18 -8.116 4.806 -10.765 294 HG22 VAL 18 1HG2 VAL 18 -7.623 6.250 -11.670 295 HG23 VAL 18 2HG2 VAL 18 -9.059 5.328 -12.193 296 H CYS 19 H CYS 19 -4.635 5.613 -14.387 297 HA CYS 19 HA CYS 19 -5.283 8.515 -14.110 298 HB2 CYS 19 1HB CYS 19 -4.280 7.081 -12.117 299 HB3 CYS 19 2HB CYS 19 -2.787 7.457 -12.970 300 H GLY 20 H GLY 20 -3.213 6.192 -15.713 301 HA2 GLY 20 1HA GLY 20 -1.279 8.102 -16.602 302 HA3 GLY 20 2HA GLY 20 -1.633 6.561 -17.387 303 H GLU 21 H GLU 21 -4.427 7.048 -17.883 304 HA GLU 21 HA GLU 21 -4.204 8.839 -20.195 305 HB2 GLU 21 1HB GLU 21 -6.443 7.192 -18.984 306 HB3 GLU 21 2HB GLU 21 -6.685 8.217 -20.412 307 HG2 GLU 21 1HG GLU 21 -4.371 6.468 -20.704 308 HG3 GLU 21 2HG GLU 21 -5.868 5.557 -20.421 309 HE2 GLU 21 HE2 GLU 21 -5.765 7.920 -23.596 310 H ARG 22 H ARG 22 -4.538 9.502 -16.995 311 HA ARG 22 HA ARG 22 -6.553 11.668 -17.464 312 HB2 ARG 22 1HB ARG 22 -6.499 9.560 -15.627 313 HB3 ARG 22 2HB ARG 22 -6.069 10.983 -14.657 314 HG2 ARG 22 1HG ARG 22 -8.446 10.936 -16.523 315 HG3 ARG 22 2HG ARG 22 -8.596 10.365 -14.866 316 HD2 ARG 22 1HD ARG 22 -7.606 13.151 -15.656 317 HD3 ARG 22 2HD ARG 22 -9.288 12.771 -15.203 318 HE ARG 22 HE ARG 22 -6.928 12.830 -13.426 319 HH11 ARG 22 1HH1 ARG 22 -10.384 12.126 -13.711 320 HH12 ARG 22 2HH1 ARG 22 -10.632 12.156 -11.982 321 HH21 ARG 22 1HH2 ARG 22 -7.302 12.809 -11.232 322 HH22 ARG 22 2HH2 ARG 22 -8.904 12.509 -10.607 323 H GLY 23 H GLY 23 -3.271 11.057 -16.455 324 HA2 GLY 23 1HA GLY 23 -1.812 13.078 -16.673 325 HA3 GLY 23 2HA GLY 23 -2.994 13.937 -15.679 326 H GLY 24 H GLY 24 -0.050 12.968 -15.436 327 HA2 GLY 24 1HA GLY 24 1.041 13.052 -13.301 328 HA3 GLY 24 2HA GLY 24 -0.375 12.256 -12.571 329 H PHE 25 H PHE 25 1.060 10.976 -15.548 330 HA PHE 25 HA PHE 25 1.758 8.564 -13.994 331 HB2 PHE 25 1HB PHE 25 0.524 8.773 -16.321 332 HB3 PHE 25 2HB PHE 25 2.163 8.718 -16.950 333 HD1 PHE 25 HD1 PHE 25 0.057 7.002 -14.346 334 HD2 PHE 25 HD2 PHE 25 2.984 6.550 -17.476 335 HE1 PHE 25 HE1 PHE 25 0.035 4.559 -14.005 336 HE2 PHE 25 HE2 PHE 25 2.906 4.083 -17.192 337 HZ PHE 25 HZ PHE 25 1.435 3.064 -15.435 338 H TYR 26 H TYR 26 3.768 7.729 -13.749 339 HA TYR 26 HA TYR 26 6.030 9.471 -14.535 340 HB2 TYR 26 1HB TYR 26 7.237 8.330 -12.700 341 HB3 TYR 26 2HB TYR 26 5.772 9.145 -12.153 342 HD1 TYR 26 HD1 TYR 26 7.332 5.823 -12.747 343 HD2 TYR 26 HD2 TYR 26 3.856 7.917 -11.296 344 HE1 TYR 26 HE1 TYR 26 6.517 3.746 -11.643 345 HE2 TYR 26 HE2 TYR 26 3.044 5.821 -10.195 346 HH TYR 26 HH TYR 26 3.479 3.640 -9.764 347 H NVA 27 H ARX 27 4.588 6.499 -15.264 348 HA NVA 27 HA ARX 27 5.093 4.578 -16.320 349 HB2 NVA 27 1HB ARX 27 5.261 6.512 -18.084 350 HB3 NVA 27 2HB ARX 27 6.951 6.045 -18.149 351 HG2 NVA 27 1HG ARX 27 5.837 3.537 -18.364 352 HG3 NVA 27 2HG ARX 27 4.519 4.493 -19.022 353 HD2 NVA 27 1HD ARX 27 5.796 4.034 -20.965 354 HD3 NVA 27 2HD ARX 27 6.352 5.614 -20.491 355 HA PRO 28 HA PRO 28 9.074 3.103 -14.534 356 HB2 PRO 28 1HB PRO 28 8.198 0.757 -13.506 357 HB3 PRO 28 2HB PRO 28 7.834 2.301 -12.689 358 HG2 PRO 28 1HG PRO 28 6.119 0.651 -14.526 359 HG3 PRO 28 2HG PRO 28 5.678 1.435 -12.986 360 HD2 PRO 28 1HD PRO 28 5.151 2.490 -15.488 361 HD3 PRO 28 2HD PRO 28 5.318 3.490 -14.008 362 H HIX 29 H HIX 29 9.759 3.043 -16.745 363 HA HIX 29 HA HIX 29 9.254 0.814 -18.529 364 HB1 HIX 29 1HB HIX 29 11.412 3.010 -18.525 365 HB2 HIX 29 2HB HIX 29 11.268 1.829 -19.798 366 HD2 HIX 29 HD2 HIX 29 7.709 2.888 -18.486 367 HD1 HIX 29 HD1 HIX 29 10.555 4.227 -21.316 368 H THR 30 H THR 30 10.818 -0.693 -19.379 369 HA THR 30 HA THR 30 12.810 -1.686 -17.437 370 HB THR 30 HB THR 30 11.797 -4.021 -17.596 371 HG1 THR 30 HG1 THR 30 9.683 -2.530 -18.813 372 HG21 THR 30 1HG2 THR 30 9.770 -2.019 -16.432 373 HG22 THR 30 2HG2 THR 30 11.289 -2.459 -15.621 374 HG23 THR 30 3HG2 THR 30 10.062 -3.700 -15.953 375 HXT THR 30 H02 THR 30 14.277 -2.391 -18.264 Start of MODEL 23 1 H1 GLY 1 2H0 GLY 1 1.908 0.226 0.969 2 H2 GLY 1 1H0 GLY 1 2.943 1.478 1.148 3 HA2 GLY 1 1HA GLY 1 3.207 1.651 -1.274 4 HA3 GLY 1 2HA GLY 1 3.785 0.095 -0.624 5 H ILE 2 H ILE 2 2.686 1.172 -3.276 6 HA ILE 2 HA ILE 2 0.115 0.178 -3.753 7 HB ILE 2 HB ILE 2 1.240 1.749 -5.287 8 HG12 ILE 2 1HG1 ILE 2 0.798 0.612 -7.513 9 HG13 ILE 2 2HG1 ILE 2 0.489 -0.864 -6.615 10 HG21 ILE 2 1HG2 ILE 2 3.037 -0.563 -6.169 11 HG22 ILE 2 2HG2 ILE 2 3.045 1.106 -6.803 12 HG23 ILE 2 3HG2 ILE 2 3.578 0.792 -5.133 13 HD11 ILE 2 3HD1 ILE 2 -1.592 0.192 -7.196 14 HD12 ILE 2 1HD1 ILE 2 -1.394 0.218 -5.451 15 HD13 ILE 2 2HD1 ILE 2 -1.086 1.703 -6.395 16 H VAL 3 H VAL 3 3.204 -1.544 -3.992 17 HA VAL 3 HA VAL 3 2.055 -3.892 -5.214 18 HB VAL 3 HB VAL 3 4.611 -3.555 -3.590 19 HG11 VAL 3 1HG1 VAL 3 3.724 -5.846 -5.408 20 HG12 VAL 3 2HG1 VAL 3 5.355 -5.667 -4.705 21 HG13 VAL 3 3HG1 VAL 3 3.976 -5.948 -3.638 22 HG21 VAL 3 3HG2 VAL 3 4.636 -2.138 -5.603 23 HG22 VAL 3 1HG2 VAL 3 5.693 -3.518 -5.860 24 HG23 VAL 3 2HG2 VAL 3 4.094 -3.486 -6.610 25 H GLU 4 H GLU 4 2.640 -2.917 -1.828 26 HA GLU 4 HA GLU 4 1.756 -5.459 -0.804 27 HB2 GLU 4 1HB GLU 4 2.444 -2.822 0.502 28 HB3 GLU 4 2HB GLU 4 1.870 -4.221 1.415 29 HG2 GLU 4 1HG GLU 4 3.734 -5.569 0.543 30 HG3 GLU 4 2HG GLU 4 4.357 -4.148 -0.317 31 HE2 GLU 4 HE2 GLU 4 4.559 -4.278 3.650 32 H GLN 5 H GLN 5 0.055 -2.914 -2.133 33 HA GLN 5 HA GLN 5 -2.333 -3.576 -0.457 34 HB2 GLN 5 1HB GLN 5 -1.816 -1.152 -1.051 35 HB3 GLN 5 2HB GLN 5 -2.223 -1.565 -2.732 36 HG2 GLN 5 1HG GLN 5 -4.471 -2.410 -1.881 37 HG3 GLN 5 2HG GLN 5 -4.014 -1.792 -0.282 38 HE21 GLN 5 2HE2 GLN 5 -4.182 0.344 0.177 39 HE22 GLN 5 1HE2 GLN 5 -4.784 1.540 -0.946 40 H CYS 6 H CYS 6 -1.302 -3.358 -3.912 41 HA CYS 6 HA CYS 6 -3.675 -4.857 -4.707 42 HB2 CYS 6 1HB CYS 6 -1.260 -3.814 -6.194 43 HB3 CYS 6 2HB CYS 6 -2.604 -4.633 -6.974 44 H CYS 7 H CYS 7 -0.172 -5.702 -4.548 45 HA CYS 7 HA CYS 7 -0.735 -8.223 -5.958 46 HB2 CYS 7 1HB CYS 7 1.430 -6.768 -6.036 47 HB3 CYS 7 2HB CYS 7 1.833 -7.552 -4.510 48 H THR 8 H THR 8 -0.902 -7.021 -2.787 49 HA THR 8 HA THR 8 -0.621 -9.711 -1.564 50 HB THR 8 HB THR 8 -0.845 -6.968 -0.246 51 HG1 THR 8 HG1 THR 8 1.469 -8.572 -0.444 52 HG21 THR 8 1HG2 THR 8 -1.495 -8.832 1.259 53 HG22 THR 8 2HG2 THR 8 0.080 -8.158 1.721 54 HG23 THR 8 3HG2 THR 8 -0.003 -9.697 0.839 55 H SER 9 H SER 9 -2.897 -6.925 -1.780 56 HA SER 9 HA SER 9 -5.060 -8.757 -0.821 57 HB2 SER 9 1HB SER 9 -4.892 -5.782 -0.340 58 HB3 SER 9 2HB SER 9 -6.045 -6.919 0.359 59 HG SER 9 HG SER 9 -3.379 -6.466 0.991 60 H ILE 10 H ILE 10 -7.276 -7.251 -1.326 61 HA ILE 10 HA ILE 10 -7.307 -7.075 -4.278 62 HB ILE 10 HB ILE 10 -9.487 -6.689 -2.179 63 HG12 ILE 10 1HG1 ILE 10 -8.657 -9.009 -2.371 64 HG13 ILE 10 2HG1 ILE 10 -10.351 -8.825 -2.809 65 HG21 ILE 10 1HG2 ILE 10 -10.108 -5.365 -4.111 66 HG22 ILE 10 2HG2 ILE 10 -9.674 -6.651 -5.248 67 HG23 ILE 10 3HG2 ILE 10 -11.084 -6.833 -4.161 68 HD11 ILE 10 3HD1 ILE 10 -9.146 -10.384 -4.322 69 HD12 ILE 10 1HD1 ILE 10 -9.795 -9.004 -5.226 70 HD13 ILE 10 2HD1 ILE 10 -8.068 -9.089 -4.831 71 H CYS 11 H CYS 11 -7.317 -5.095 -5.380 72 HA CYS 11 HA CYS 11 -7.758 -2.656 -3.726 73 HB2 CYS 11 1HB CYS 11 -5.944 -1.482 -4.825 74 HB3 CYS 11 2HB CYS 11 -5.330 -2.930 -4.040 75 H SER 12 H SER 12 -8.694 -0.968 -4.762 76 HA SER 12 HA SER 12 -10.031 -1.615 -7.360 77 HB2 SER 12 1HB SER 12 -10.892 0.161 -5.026 78 HB3 SER 12 2HB SER 12 -11.821 -0.088 -6.526 79 HG SER 12 HG SER 12 -12.345 -1.422 -4.606 80 H LEU 13 H LEU 13 -10.472 0.279 -8.746 81 HA LEU 13 HA LEU 13 -8.202 1.853 -9.215 82 HB2 LEU 13 1HB LEU 13 -9.559 3.071 -10.771 83 HB3 LEU 13 2HB LEU 13 -9.946 1.375 -10.887 84 HG LEU 13 HG LEU 13 -11.721 3.191 -9.275 85 HD11 LEU 13 1HD1 LEU 13 -11.770 2.973 -12.295 86 HD12 LEU 13 2HD1 LEU 13 -11.267 4.413 -11.364 87 HD13 LEU 13 3HD1 LEU 13 -12.946 3.842 -11.286 88 HD21 LEU 13 3HD2 LEU 13 -12.260 0.766 -11.031 89 HD22 LEU 13 1HD2 LEU 13 -13.505 1.701 -10.156 90 HD23 LEU 13 2HD2 LEU 13 -12.268 0.787 -9.253 91 H TYR 14 H TYR 14 -10.950 2.538 -7.123 92 HA TYR 14 HA TYR 14 -10.573 5.320 -6.762 93 HB2 TYR 14 1HB TYR 14 -12.548 4.036 -5.992 94 HB3 TYR 14 2HB TYR 14 -11.542 3.238 -4.768 95 HD1 TYR 14 HD2 TYR 14 -12.987 6.523 -5.828 96 HD2 TYR 14 HD1 TYR 14 -10.994 4.333 -2.685 97 HE1 TYR 14 HE2 TYR 14 -13.419 8.383 -4.228 98 HE2 TYR 14 HE1 TYR 14 -11.403 6.224 -1.103 99 HH TYR 14 HH TYR 14 -12.302 8.297 -0.821 100 H GLN 15 H GLN 15 -9.183 2.506 -5.046 101 HA GLN 15 HA GLN 15 -7.692 4.160 -3.188 102 HB2 GLN 15 1HB GLN 15 -7.403 1.266 -4.028 103 HB3 GLN 15 2HB GLN 15 -6.542 2.013 -2.674 104 HG2 GLN 15 1HG GLN 15 -8.558 2.269 -1.432 105 HG3 GLN 15 2HG GLN 15 -9.570 1.939 -2.855 106 HE21 GLN 15 2HE2 GLN 15 -8.417 0.613 -0.062 107 HE22 GLN 15 1HE2 GLN 15 -8.586 -1.085 -0.490 108 H LEU 16 H LEU 16 -7.037 2.488 -6.294 109 HA LEU 16 HA LEU 16 -4.278 2.874 -6.473 110 HB2 LEU 16 1HB LEU 16 -6.453 2.347 -8.277 111 HB3 LEU 16 2HB LEU 16 -5.235 3.353 -9.049 112 HG LEU 16 HG LEU 16 -3.527 1.594 -8.190 113 HD11 LEU 16 1HD1 LEU 16 -4.494 -0.649 -7.889 114 HD12 LEU 16 2HD1 LEU 16 -6.137 0.039 -7.954 115 HD13 LEU 16 3HD1 LEU 16 -5.036 0.455 -6.620 116 HD21 LEU 16 3HD2 LEU 16 -4.160 1.848 -10.537 117 HD22 LEU 16 1HD2 LEU 16 -5.564 0.772 -10.291 118 HD23 LEU 16 2HD2 LEU 16 -3.891 0.139 -10.108 119 H GLU 17 H GLU 17 -6.897 5.222 -7.191 120 HA GLU 17 HA GLU 17 -5.281 7.179 -8.454 121 HB2 GLU 17 1HB GLU 17 -7.739 7.465 -6.721 122 HB3 GLU 17 2HB GLU 17 -6.955 8.831 -7.526 123 HG2 GLU 17 1HG GLU 17 -7.155 7.293 -9.655 124 HG3 GLU 17 2HG GLU 17 -8.464 6.547 -8.726 125 HE2 GLU 17 HE2 GLU 17 -7.261 9.676 -9.258 126 H ASN 18 H ASN 18 -5.406 6.379 -4.989 127 HA ASN 18 HA ASN 18 -4.305 8.947 -4.153 128 HB2 ASN 18 1HB ASN 18 -4.402 6.198 -2.857 129 HB3 ASN 18 2HB ASN 18 -3.696 7.617 -2.067 130 HD21 ASN 18 2HD2 ASN 18 -6.646 6.099 -3.166 131 HD22 ASN 18 1HD2 ASN 18 -7.729 7.181 -2.275 132 H TYR 19 H TYR 19 -2.949 6.106 -5.655 133 HA TYR 19 HA TYR 19 -0.229 6.656 -4.676 134 HB2 TYR 19 1HB TYR 19 -1.369 4.688 -6.703 135 HB3 TYR 19 2HB TYR 19 0.355 4.804 -6.251 136 HD1 TYR 19 HD1 TYR 19 0.985 4.436 -3.775 137 HD2 TYR 19 HD2 TYR 19 -2.839 3.429 -5.436 138 HE1 TYR 19 HE1 TYR 19 0.529 2.872 -1.852 139 HE2 TYR 19 HE2 TYR 19 -3.274 1.872 -3.568 140 HH TYR 19 HH TYR 19 -0.885 1.474 -0.891 141 H CYS 20 H CYS 20 -2.281 7.974 -6.989 142 HA CYS 20 HA CYS 20 -0.198 8.452 -9.006 143 HB2 CYS 20 1HB CYS 20 -2.950 9.681 -8.729 144 HB3 CYS 20 2HB CYS 20 -1.954 9.544 -10.204 145 H ASN 21 H ASN 21 -1.084 9.642 -5.979 146 HA ASN 21 HA ASN 21 0.155 12.292 -6.419 147 HB2 ASN 21 1HB ASN 21 -1.456 11.144 -4.049 148 HB3 ASN 21 2HB ASN 21 -0.697 12.738 -4.041 149 HD21 ASN 21 2HD2 ASN 21 -1.259 14.208 -5.873 150 HD22 ASN 21 1HD2 ASN 21 -2.923 14.183 -6.415 151 HXT ASN 21 H02 ASN 21 2.985 11.211 -5.037 152 H1 PHE 1 2H0 PHE 1 -11.235 -1.684 -16.681 153 H2 PHE 1 1H0 PHE 1 -12.155 -3.023 -16.392 154 HA PHE 1 HA PHE 1 -10.314 -2.819 -14.771 155 HB2 PHE 1 1HB PHE 1 -10.521 -0.243 -14.915 156 HB3 PHE 1 2HB PHE 1 -11.853 -0.364 -13.765 157 HD1 PHE 1 HD1 PHE 1 -11.119 -1.985 -11.566 158 HD2 PHE 1 HD2 PHE 1 -8.469 0.342 -14.055 159 HE1 PHE 1 HE1 PHE 1 -9.449 -1.937 -9.739 160 HE2 PHE 1 HE2 PHE 1 -6.822 0.369 -12.191 161 HZ PHE 1 HZ PHE 1 -7.305 -0.739 -10.064 162 H VAL 2 H VAL 2 -10.584 -4.325 -13.326 163 HA VAL 2 HA VAL 2 -13.080 -4.293 -11.684 164 HB VAL 2 HB VAL 2 -13.235 -6.144 -13.372 165 HG11 VAL 2 1HG1 VAL 2 -11.790 -8.108 -13.212 166 HG12 VAL 2 2HG1 VAL 2 -10.804 -6.665 -13.569 167 HG13 VAL 2 3HG1 VAL 2 -10.834 -7.326 -11.917 168 HG21 VAL 2 3HG2 VAL 2 -12.909 -7.156 -10.534 169 HG22 VAL 2 1HG2 VAL 2 -14.335 -6.282 -11.129 170 HG23 VAL 2 2HG2 VAL 2 -13.901 -7.866 -11.815 171 H ASN 3 H ASN 3 -12.779 -4.793 -9.530 172 HA ASN 3 HA ASN 3 -10.110 -4.194 -8.547 173 HB2 ASN 3 1HB ASN 3 -11.164 -4.348 -6.319 174 HB3 ASN 3 2HB ASN 3 -12.038 -3.258 -7.415 175 HD21 ASN 3 2HD2 ASN 3 -12.430 -5.581 -5.149 176 HD22 ASN 3 1HD2 ASN 3 -13.963 -6.208 -5.649 177 H GLN 4 H GLN 4 -8.531 -5.660 -8.261 178 HA GLN 4 HA GLN 4 -9.150 -8.388 -7.426 179 HB2 GLN 4 1HB GLN 4 -8.238 -9.452 -9.407 180 HB3 GLN 4 2HB GLN 4 -9.589 -8.430 -9.886 181 HG2 GLN 4 1HG GLN 4 -7.956 -6.668 -10.570 182 HG3 GLN 4 2HG GLN 4 -6.648 -7.785 -10.181 183 HE21 GLN 4 2HE2 GLN 4 -8.238 -6.517 -12.655 184 HE22 GLN 4 1HE2 GLN 4 -8.133 -7.837 -13.806 185 H HIS 5 H HIS 5 -6.872 -9.642 -7.658 186 HA HIS 5 HA HIS 5 -4.865 -8.019 -6.317 187 HB2 HIS 5 1HB HIS 5 -4.824 -10.875 -7.388 188 HB3 HIS 5 2HB HIS 5 -3.489 -10.100 -6.500 189 HD1 HIS 5 HD1 HIS 5 -4.002 -9.391 -3.931 190 HD2 HIS 5 HD2 HIS 5 -6.843 -11.875 -5.760 191 HE1 HIS 5 HE1 HIS 5 -5.424 -10.398 -2.073 192 HE2 HIS 5 HE2 HIS 5 -7.109 -11.911 -3.180 193 H LEU 6 H LEU 6 -3.879 -6.506 -7.558 194 HA LEU 6 HA LEU 6 -3.137 -7.248 -10.371 195 HB2 LEU 6 1HB LEU 6 -3.457 -4.602 -8.929 196 HB3 LEU 6 2HB LEU 6 -2.703 -4.740 -10.526 197 HG LEU 6 HG LEU 6 -5.486 -5.789 -10.017 198 HD11 LEU 6 1HD1 LEU 6 -5.600 -3.518 -9.266 199 HD12 LEU 6 2HD1 LEU 6 -6.323 -3.577 -10.887 200 HD13 LEU 6 3HD1 LEU 6 -4.666 -2.947 -10.659 201 HD21 LEU 6 3HD2 LEU 6 -4.336 -6.456 -12.103 202 HD22 LEU 6 1HD2 LEU 6 -4.072 -4.742 -12.511 203 HD23 LEU 6 2HD2 LEU 6 -5.719 -5.414 -12.442 204 H CYS 7 H CYS 7 -1.044 -7.337 -10.963 205 HA CYS 7 HA CYS 7 1.035 -6.265 -9.151 206 HB2 CYS 7 1HB CYS 7 0.291 -8.736 -8.576 207 HB3 CYS 7 2HB CYS 7 1.334 -9.140 -9.950 208 H GLY 8 H GLY 8 3.234 -6.521 -10.117 209 HA2 GLY 8 1HA GLY 8 4.674 -6.157 -11.883 210 HA3 GLY 8 2HA GLY 8 3.788 -7.472 -12.663 211 H SER 9 H SER 9 3.822 -6.834 -14.739 212 HA SER 9 HA SER 9 3.443 -4.171 -15.636 213 HB2 SER 9 1HB SER 9 2.596 -5.773 -17.711 214 HB3 SER 9 2HB SER 9 4.300 -5.439 -17.324 215 HG SER 9 HG SER 9 3.571 -7.755 -17.487 216 H HIS 10 H HIS 10 1.136 -6.734 -14.786 217 HA HIS 10 HA HIS 10 -1.135 -5.483 -16.015 218 HB2 HIS 10 1HB HIS 10 -0.783 -7.870 -14.830 219 HB3 HIS 10 2HB HIS 10 -1.525 -7.016 -13.481 220 HD1 HIS 10 HD1 HIS 10 -3.222 -9.244 -14.553 221 HD2 HIS 10 HD2 HIS 10 -3.227 -5.430 -16.258 222 HE1 HIS 10 HE1 HIS 10 -5.426 -8.999 -15.843 223 HE2 HIS 10 HE2 HIS 10 -5.399 -6.718 -16.883 224 H LEU 11 H LEU 11 0.424 -5.137 -12.789 225 HA LEU 11 HA LEU 11 -1.509 -3.293 -11.710 226 HB2 LEU 11 1HB LEU 11 0.870 -4.441 -10.823 227 HB3 LEU 11 2HB LEU 11 1.286 -2.754 -10.987 228 HG LEU 11 HG LEU 11 -0.897 -3.932 -9.259 229 HD11 LEU 11 1HD1 LEU 11 0.553 -3.053 -7.423 230 HD12 LEU 11 2HD1 LEU 11 1.747 -2.543 -8.613 231 HD13 LEU 11 3HD1 LEU 11 1.386 -4.276 -8.402 232 HD21 LEU 11 3HD2 LEU 11 -1.260 -1.685 -8.346 233 HD22 LEU 11 1HD2 LEU 11 -1.664 -1.744 -10.067 234 HD23 LEU 11 2HD2 LEU 11 -0.130 -1.006 -9.537 235 H VAL 12 H VAL 12 1.516 -2.824 -13.621 236 HA VAL 12 HA VAL 12 1.373 0.022 -13.529 237 HB VAL 12 HB VAL 12 2.580 -1.771 -15.681 238 HG11 VAL 12 1HG1 VAL 12 2.251 0.502 -16.544 239 HG12 VAL 12 2HG1 VAL 12 3.063 1.183 -15.111 240 HG13 VAL 12 3HG1 VAL 12 3.976 0.174 -16.248 241 HG21 VAL 12 3HG2 VAL 12 4.692 -1.275 -14.466 242 HG22 VAL 12 1HG2 VAL 12 3.781 -0.420 -13.215 243 HG23 VAL 12 2HG2 VAL 12 3.550 -2.167 -13.457 244 H GLU 13 H GLU 13 -0.050 -2.311 -15.882 245 HA GLU 13 HA GLU 13 -1.166 -0.287 -17.589 246 HB2 GLU 13 1HB GLU 13 -1.821 -3.164 -16.972 247 HB3 GLU 13 2HB GLU 13 -2.981 -2.192 -17.891 248 HG2 GLU 13 1HG GLU 13 -1.188 -1.667 -19.537 249 HG3 GLU 13 2HG GLU 13 -0.099 -2.767 -18.667 250 HE2 GLU 13 HE2 GLU 13 -0.972 -2.886 -21.216 251 H ALA 14 H ALA 14 -2.460 -1.863 -14.651 252 HA ALA 14 HA ALA 14 -5.050 -0.670 -14.863 253 HB1 ALA 14 3HB ALA 14 -3.479 -1.478 -12.404 254 HB2 ALA 14 1HB ALA 14 -5.228 -1.177 -12.486 255 HB3 ALA 14 2HB ALA 14 -4.527 -2.533 -13.383 256 H LEU 15 H LEU 15 -2.077 0.404 -13.157 257 HA LEU 15 HA LEU 15 -3.189 2.848 -12.143 258 HB2 LEU 15 1HB LEU 15 -0.546 1.611 -12.461 259 HB3 LEU 15 2HB LEU 15 -0.527 3.360 -12.691 260 HG LEU 15 HG LEU 15 -1.658 2.051 -10.206 261 HD11 LEU 15 1HD1 LEU 15 0.453 2.900 -9.168 262 HD12 LEU 15 2HD1 LEU 15 1.046 3.325 -10.781 263 HD13 LEU 15 3HD1 LEU 15 0.730 1.615 -10.362 264 HD21 LEU 15 3HD2 LEU 15 -2.616 4.314 -10.639 265 HD22 LEU 15 1HD2 LEU 15 -1.005 4.962 -10.946 266 HD23 LEU 15 2HD2 LEU 15 -1.445 4.410 -9.317 267 H TYR 16 H TYR 16 -1.608 2.073 -15.246 268 HA TYR 16 HA TYR 16 -1.569 4.777 -16.219 269 HB2 TYR 16 1HB TYR 16 -0.302 3.050 -17.337 270 HB3 TYR 16 2HB TYR 16 -1.765 2.099 -17.659 271 HD1 TYR 16 HD2 TYR 16 -0.013 5.295 -18.513 272 HD2 TYR 16 HD1 TYR 16 -3.152 2.561 -19.583 273 HE1 TYR 16 HE2 TYR 16 -0.344 6.514 -20.683 274 HE2 TYR 16 HE1 TYR 16 -3.464 3.762 -21.750 275 HH TYR 16 HH TYR 16 -1.512 6.590 -22.667 276 H LEU 17 H LEU 17 -4.093 2.189 -16.393 277 HA LEU 17 HA LEU 17 -5.728 3.731 -18.169 278 HB2 LEU 17 1HB LEU 17 -6.384 1.425 -16.286 279 HB3 LEU 17 2HB LEU 17 -7.550 2.145 -17.396 280 HG LEU 17 HG LEU 17 -4.914 1.020 -18.419 281 HD11 LEU 17 1HD1 LEU 17 -6.042 -0.745 -17.142 282 HD12 LEU 17 2HD1 LEU 17 -6.098 -1.083 -18.898 283 HD13 LEU 17 3HD1 LEU 17 -7.557 -0.462 -18.060 284 HD21 LEU 17 3HD2 LEU 17 -6.148 2.437 -19.964 285 HD22 LEU 17 1HD2 LEU 17 -7.609 1.450 -19.738 286 HD23 LEU 17 2HD2 LEU 17 -6.162 0.768 -20.500 287 H VAL 18 H VAL 18 -5.648 3.396 -14.596 288 HA VAL 18 HA VAL 18 -7.988 5.144 -14.417 289 HB VAL 18 HB VAL 18 -7.653 3.349 -12.765 290 HG11 VAL 18 1HG1 VAL 18 -5.399 4.986 -11.563 291 HG12 VAL 18 2HG1 VAL 18 -5.973 3.371 -11.118 292 HG13 VAL 18 3HG1 VAL 18 -5.144 3.596 -12.634 293 HG21 VAL 18 3HG2 VAL 18 -7.586 6.131 -11.530 294 HG22 VAL 18 1HG2 VAL 18 -9.015 5.280 -12.137 295 HG23 VAL 18 2HG2 VAL 18 -8.142 4.656 -10.723 296 H CYS 19 H CYS 19 -4.475 5.614 -14.131 297 HA CYS 19 HA CYS 19 -5.064 8.500 -13.565 298 HB2 CYS 19 1HB CYS 19 -3.038 6.575 -12.506 299 HB3 CYS 19 2HB CYS 19 -2.716 8.288 -12.539 300 H GLY 20 H GLY 20 -2.969 6.331 -15.492 301 HA2 GLY 20 1HA GLY 20 -1.191 8.427 -16.367 302 HA3 GLY 20 2HA GLY 20 -1.479 6.873 -17.165 303 H GLU 21 H GLU 21 -4.375 7.338 -17.357 304 HA GLU 21 HA GLU 21 -4.357 9.165 -19.688 305 HB2 GLU 21 1HB GLU 21 -6.411 7.175 -18.692 306 HB3 GLU 21 2HB GLU 21 -6.566 8.145 -20.171 307 HG2 GLU 21 1HG GLU 21 -4.438 7.085 -20.998 308 HG3 GLU 21 2HG GLU 21 -4.446 6.044 -19.577 309 HE2 GLU 21 HE2 GLU 21 -4.907 6.006 -22.497 310 H ARG 22 H ARG 22 -4.545 9.711 -16.603 311 HA ARG 22 HA ARG 22 -6.930 11.546 -16.734 312 HB2 ARG 22 1HB ARG 22 -6.981 9.771 -14.933 313 HB3 ARG 22 2HB ARG 22 -5.486 10.451 -14.274 314 HG2 ARG 22 1HG ARG 22 -6.994 11.493 -12.910 315 HG3 ARG 22 2HG ARG 22 -6.940 12.702 -14.224 316 HD2 ARG 22 1HD ARG 22 -9.167 12.418 -14.300 317 HD3 ARG 22 2HD ARG 22 -8.785 10.904 -15.157 318 HE ARG 22 HE ARG 22 -8.679 10.528 -12.285 319 HH11 ARG 22 1HH1 ARG 22 -10.997 10.813 -14.946 320 HH12 ARG 22 2HH1 ARG 22 -12.213 9.898 -14.103 321 HH21 ARG 22 1HH2 ARG 22 -10.324 9.364 -11.261 322 HH22 ARG 22 2HH2 ARG 22 -11.846 9.129 -12.058 323 H GLY 23 H GLY 23 -3.655 11.154 -15.419 324 HA2 GLY 23 1HA GLY 23 -2.184 13.208 -16.047 325 HA3 GLY 23 2HA GLY 23 -3.437 14.123 -15.179 326 H GLY 24 H GLY 24 -1.278 11.269 -14.780 327 HA2 GLY 24 1HA GLY 24 0.053 12.212 -12.474 328 HA3 GLY 24 2HA GLY 24 -1.387 11.333 -11.911 329 H PHE 25 H PHE 25 1.685 11.086 -13.667 330 HA PHE 25 HA PHE 25 1.724 8.212 -13.052 331 HB2 PHE 25 1HB PHE 25 0.560 8.763 -15.380 332 HB3 PHE 25 2HB PHE 25 2.221 8.997 -15.932 333 HD1 PHE 25 HD2 PHE 25 0.341 6.528 -13.816 334 HD2 PHE 25 HD1 PHE 25 3.138 7.175 -17.015 335 HE1 PHE 25 HE2 PHE 25 0.558 4.063 -14.144 336 HE2 PHE 25 HE1 PHE 25 3.350 4.714 -17.333 337 HZ PHE 25 HZ PHE 25 2.042 3.136 -15.891 338 H TYR 26 H TYR 26 3.847 7.304 -13.250 339 HA TYR 26 HA TYR 26 5.981 9.378 -13.343 340 HB2 TYR 26 1HB TYR 26 7.142 7.848 -11.725 341 HB3 TYR 26 2HB TYR 26 5.688 8.609 -11.103 342 HD1 TYR 26 HD2 TYR 26 7.056 5.402 -12.442 343 HD2 TYR 26 HD1 TYR 26 3.803 7.319 -10.408 344 HE1 TYR 26 HE2 TYR 26 6.085 3.174 -11.866 345 HE2 TYR 26 HE1 TYR 26 2.840 5.099 -9.849 346 HH TYR 26 HH TYR 26 3.042 2.852 -9.986 347 H NVA 27 H ARX 27 4.712 6.792 -14.965 348 HA NVA 27 HA ARX 27 5.386 5.178 -16.379 349 HB2 NVA 27 1HB ARX 27 5.736 7.617 -17.483 350 HB3 NVA 27 2HB ARX 27 7.364 7.004 -17.662 351 HG2 NVA 27 1HG ARX 27 5.993 4.800 -18.620 352 HG3 NVA 27 2HG ARX 27 4.808 6.052 -18.937 353 HD2 NVA 27 1HD ARX 27 6.081 5.891 -20.934 354 HD3 NVA 27 2HD ARX 27 6.715 7.353 -20.131 355 HA PRO 28 HA PRO 28 9.220 3.427 -14.597 356 HB2 PRO 28 1HB PRO 28 8.411 0.873 -14.229 357 HB3 PRO 28 2HB PRO 28 7.880 2.189 -13.140 358 HG2 PRO 28 1HG PRO 28 6.419 0.960 -15.457 359 HG3 PRO 28 2HG PRO 28 5.832 1.309 -13.805 360 HD2 PRO 28 1HD PRO 28 5.399 2.958 -15.968 361 HD3 PRO 28 2HD PRO 28 5.489 3.568 -14.277 362 H HIX 29 H HIX 29 9.919 4.009 -16.838 363 HA HIX 29 HA HIX 29 9.703 2.205 -19.067 364 HB1 HIX 29 1HB HIX 29 11.566 4.584 -18.483 365 HB2 HIX 29 2HB HIX 29 11.733 3.645 -19.966 366 HD2 HIX 29 HD2 HIX 29 8.219 4.733 -18.317 367 HD1 HIX 29 HD1 HIX 29 10.602 5.384 -21.738 368 H THR 30 H THR 30 11.250 1.047 -20.214 369 HA THR 30 HA THR 30 13.698 0.081 -18.869 370 HB THR 30 HB THR 30 13.113 -2.335 -19.290 371 HG1 THR 30 HG1 THR 30 10.427 -1.450 -19.345 372 HG21 THR 30 1HG2 THR 30 11.140 -0.990 -17.351 373 HG22 THR 30 2HG2 THR 30 12.825 -1.418 -16.946 374 HG23 THR 30 3HG2 THR 30 11.652 -2.686 -17.319 375 HXT THR 30 H02 THR 30 11.934 -1.275 -21.301 Start of MODEL 24 1 H1 GLY 1 2H0 GLY 1 3.026 -1.605 1.391 2 H2 GLY 1 1H0 GLY 1 3.911 -0.267 1.750 3 HA2 GLY 1 1HA GLY 1 3.671 0.597 -0.526 4 HA3 GLY 1 2HA GLY 1 4.474 -0.989 -0.500 5 H ILE 2 H ILE 2 3.318 0.156 -2.745 6 HA ILE 2 HA ILE 2 0.651 -0.601 -3.276 7 HB ILE 2 HB ILE 2 1.987 0.931 -4.719 8 HG12 ILE 2 1HG1 ILE 2 1.281 -0.001 -6.969 9 HG13 ILE 2 2HG1 ILE 2 0.791 -1.472 -6.132 10 HG21 ILE 2 1HG2 ILE 2 3.641 0.113 -6.328 11 HG22 ILE 2 2HG2 ILE 2 4.142 -0.362 -4.697 12 HG23 ILE 2 3HG2 ILE 2 3.413 -1.572 -5.777 13 HD11 ILE 2 3HD1 ILE 2 -0.874 -0.179 -4.827 14 HD12 ILE 2 1HD1 ILE 2 -0.357 1.301 -5.670 15 HD13 ILE 2 2HD1 ILE 2 -1.128 -0.006 -6.579 16 H VAL 3 H VAL 3 3.597 -2.592 -3.421 17 HA VAL 3 HA VAL 3 2.377 -4.819 -4.758 18 HB VAL 3 HB VAL 3 4.771 -4.575 -2.881 19 HG11 VAL 3 1HG1 VAL 3 5.460 -6.845 -3.652 20 HG12 VAL 3 2HG1 VAL 3 3.950 -6.889 -2.713 21 HG13 VAL 3 3HG1 VAL 3 3.903 -7.018 -4.489 22 HG21 VAL 3 3HG2 VAL 3 5.000 -3.461 -5.074 23 HG22 VAL 3 1HG2 VAL 3 6.065 -4.881 -4.981 24 HG23 VAL 3 2HG2 VAL 3 4.542 -4.972 -5.897 25 H GLU 4 H GLU 4 2.717 -3.962 -1.289 26 HA GLU 4 HA GLU 4 1.518 -6.427 -0.386 27 HB2 GLU 4 1HB GLU 4 1.986 -3.750 0.958 28 HB3 GLU 4 2HB GLU 4 1.371 -5.183 1.791 29 HG2 GLU 4 1HG GLU 4 3.425 -6.424 1.239 30 HG3 GLU 4 2HG GLU 4 4.048 -5.010 0.368 31 HE2 GLU 4 HE2 GLU 4 4.795 -6.516 2.656 32 H GLN 5 H GLN 5 0.239 -3.432 -1.560 33 HA GLN 5 HA GLN 5 -2.408 -3.891 -0.358 34 HB2 GLN 5 1HB GLN 5 -1.180 -1.729 -2.065 35 HB3 GLN 5 2HB GLN 5 -2.932 -1.807 -1.777 36 HG2 GLN 5 1HG GLN 5 -1.089 -1.952 0.603 37 HG3 GLN 5 2HG GLN 5 -1.292 -0.401 -0.209 38 HE21 GLN 5 2HE2 GLN 5 -2.360 0.555 1.514 39 HE22 GLN 5 1HE2 GLN 5 -3.998 0.129 1.935 40 H CYS 6 H CYS 6 -0.861 -4.100 -3.573 41 HA CYS 6 HA CYS 6 -3.508 -4.908 -4.687 42 HB2 CYS 6 1HB CYS 6 -0.990 -3.820 -5.942 43 HB3 CYS 6 2HB CYS 6 -2.294 -4.542 -6.885 44 H CYS 7 H CYS 7 -0.125 -6.140 -4.460 45 HA CYS 7 HA CYS 7 -0.884 -8.413 -6.153 46 HB2 CYS 7 1HB CYS 7 1.576 -8.026 -4.416 47 HB3 CYS 7 2HB CYS 7 1.355 -9.279 -5.621 48 H THR 8 H THR 8 -0.120 -7.795 -2.704 49 HA THR 8 HA THR 8 -0.774 -10.479 -1.884 50 HB THR 8 HB THR 8 -0.609 -7.939 -0.211 51 HG1 THR 8 HG1 THR 8 1.440 -9.823 -0.781 52 HG21 THR 8 1HG2 THR 8 -1.530 -9.855 1.038 53 HG22 THR 8 2HG2 THR 8 0.123 -9.497 1.570 54 HG23 THR 8 3HG2 THR 8 -0.184 -10.878 0.486 55 H SER 9 H SER 9 -2.597 -7.365 -1.562 56 HA SER 9 HA SER 9 -4.993 -9.011 -0.886 57 HB2 SER 9 1HB SER 9 -5.826 -6.750 0.011 58 HB3 SER 9 2HB SER 9 -4.574 -7.603 0.924 59 HG SER 9 HG SER 9 -4.182 -5.453 -0.909 60 H ILE 10 H ILE 10 -7.058 -7.494 -1.423 61 HA ILE 10 HA ILE 10 -7.031 -7.276 -4.376 62 HB ILE 10 HB ILE 10 -9.255 -6.979 -2.279 63 HG12 ILE 10 1HG1 ILE 10 -8.374 -9.289 -2.515 64 HG13 ILE 10 2HG1 ILE 10 -10.067 -9.116 -2.959 65 HG21 ILE 10 1HG2 ILE 10 -9.399 -6.865 -5.316 66 HG22 ILE 10 2HG2 ILE 10 -10.817 -7.132 -4.277 67 HG23 ILE 10 3HG2 ILE 10 -9.905 -5.623 -4.143 68 HD11 ILE 10 3HD1 ILE 10 -9.488 -9.201 -5.345 69 HD12 ILE 10 1HD1 ILE 10 -7.763 -9.296 -4.925 70 HD13 ILE 10 2HD1 ILE 10 -8.860 -10.621 -4.487 71 H CYS 11 H CYS 11 -6.921 -5.297 -5.406 72 HA CYS 11 HA CYS 11 -7.572 -2.908 -3.754 73 HB2 CYS 11 1HB CYS 11 -5.714 -1.673 -4.534 74 HB3 CYS 11 2HB CYS 11 -5.081 -3.220 -3.951 75 H SER 12 H SER 12 -8.069 -1.006 -5.083 76 HA SER 12 HA SER 12 -9.468 -1.783 -7.614 77 HB2 SER 12 1HB SER 12 -11.360 -0.424 -6.843 78 HB3 SER 12 2HB SER 12 -11.002 -1.682 -5.635 79 HG SER 12 HG SER 12 -11.154 0.167 -4.473 80 H LEU 13 H LEU 13 -10.176 0.220 -8.824 81 HA LEU 13 HA LEU 13 -8.005 1.914 -9.418 82 HB2 LEU 13 1HB LEU 13 -9.569 3.176 -10.720 83 HB3 LEU 13 2HB LEU 13 -9.858 1.475 -10.952 84 HG LEU 13 HG LEU 13 -11.597 3.101 -9.099 85 HD11 LEU 13 1HD1 LEU 13 -13.090 3.503 -11.017 86 HD12 LEU 13 2HD1 LEU 13 -11.874 2.776 -12.106 87 HD13 LEU 13 3HD1 LEU 13 -11.514 4.283 -11.218 88 HD21 LEU 13 3HD2 LEU 13 -13.335 1.440 -9.862 89 HD22 LEU 13 1HD2 LEU 13 -12.016 0.704 -8.941 90 HD23 LEU 13 2HD2 LEU 13 -12.063 0.546 -10.717 91 H TYR 14 H TYR 14 -10.614 2.283 -7.075 92 HA TYR 14 HA TYR 14 -10.319 5.058 -6.516 93 HB2 TYR 14 1HB TYR 14 -12.206 3.560 -5.777 94 HB3 TYR 14 2HB TYR 14 -11.086 2.798 -4.640 95 HD1 TYR 14 HD2 TYR 14 -12.897 5.944 -5.461 96 HD2 TYR 14 HD1 TYR 14 -10.511 3.853 -2.548 97 HE1 TYR 14 HE2 TYR 14 -13.473 7.671 -3.741 98 HE2 TYR 14 HE1 TYR 14 -11.085 5.584 -0.840 99 HH TYR 14 HH TYR 14 -13.196 8.377 -1.577 100 H GLN 15 H GLN 15 -8.727 2.180 -5.154 101 HA GLN 15 HA GLN 15 -7.132 3.694 -3.277 102 HB2 GLN 15 1HB GLN 15 -7.313 0.910 -4.295 103 HB3 GLN 15 2HB GLN 15 -5.681 1.406 -3.843 104 HG2 GLN 15 1HG GLN 15 -8.087 1.653 -1.999 105 HG3 GLN 15 2HG GLN 15 -7.006 0.246 -2.025 106 HE21 GLN 15 2HE2 GLN 15 -7.643 2.728 -0.154 107 HE22 GLN 15 1HE2 GLN 15 -6.040 3.160 0.392 108 H LEU 16 H LEU 16 -6.626 2.351 -6.555 109 HA LEU 16 HA LEU 16 -3.922 2.935 -6.811 110 HB2 LEU 16 1HB LEU 16 -6.102 2.253 -8.590 111 HB3 LEU 16 2HB LEU 16 -4.858 3.253 -9.365 112 HG LEU 16 HG LEU 16 -3.111 1.697 -8.531 113 HD11 LEU 16 1HD1 LEU 16 -3.799 -0.584 -7.831 114 HD12 LEU 16 2HD1 LEU 16 -5.473 -0.004 -7.656 115 HD13 LEU 16 3HD1 LEU 16 -4.168 0.643 -6.625 116 HD21 LEU 16 3HD2 LEU 16 -3.533 -0.000 -10.149 117 HD22 LEU 16 1HD2 LEU 16 -4.115 1.552 -10.765 118 HD23 LEU 16 2HD2 LEU 16 -5.271 0.358 -10.141 119 H GLU 17 H GLU 17 -6.638 5.122 -7.375 120 HA GLU 17 HA GLU 17 -5.207 7.183 -8.701 121 HB2 GLU 17 1HB GLU 17 -7.489 7.371 -6.707 122 HB3 GLU 17 2HB GLU 17 -6.929 8.707 -7.715 123 HG2 GLU 17 1HG GLU 17 -7.453 6.346 -9.322 124 HG3 GLU 17 2HG GLU 17 -8.862 6.796 -8.362 125 HE2 GLU 17 HE2 GLU 17 -9.822 8.491 -8.806 126 H ASN 18 H ASN 18 -5.266 6.305 -5.236 127 HA ASN 18 HA ASN 18 -4.073 8.808 -4.384 128 HB2 ASN 18 1HB ASN 18 -4.171 6.088 -3.020 129 HB3 ASN 18 2HB ASN 18 -3.667 7.600 -2.248 130 HD21 ASN 18 2HD2 ASN 18 -6.093 5.544 -2.306 131 HD22 ASN 18 1HD2 ASN 18 -7.454 6.638 -2.109 132 H TYR 19 H TYR 19 -2.809 5.954 -5.898 133 HA TYR 19 HA TYR 19 -0.055 6.470 -4.919 134 HB2 TYR 19 1HB TYR 19 -1.168 4.476 -6.933 135 HB3 TYR 19 2HB TYR 19 0.524 4.544 -6.390 136 HD1 TYR 19 HD2 TYR 19 1.107 3.782 -4.077 137 HD2 TYR 19 HD1 TYR 19 -2.906 3.645 -5.521 138 HE1 TYR 19 HE2 TYR 19 0.441 2.303 -2.146 139 HE2 TYR 19 HE1 TYR 19 -3.583 2.221 -3.619 140 HH TYR 19 HH TYR 19 -2.986 1.374 -1.637 141 H CYS 20 H CYS 20 -2.162 7.739 -7.222 142 HA CYS 20 HA CYS 20 -0.003 8.269 -9.198 143 HB2 CYS 20 1HB CYS 20 -2.391 7.698 -9.851 144 HB3 CYS 20 2HB CYS 20 -2.876 9.266 -9.194 145 H ASN 21 H ASN 21 -2.274 9.892 -7.000 146 HA ASN 21 HA ASN 21 -2.311 11.939 -5.983 147 HB2 ASN 21 1HB ASN 21 -0.518 10.579 -4.772 148 HB3 ASN 21 2HB ASN 21 0.687 11.503 -5.658 149 HD21 ASN 21 2HD2 ASN 21 0.958 11.727 -3.105 150 HD22 ASN 21 1HD2 ASN 21 0.293 13.215 -2.474 151 HXT ASN 21 H02 ASN 21 0.152 14.142 -7.951 152 H1 PHE 1 2H0 PHE 1 -12.156 -1.095 -16.145 153 H2 PHE 1 1H0 PHE 1 -13.133 -2.380 -15.818 154 HA PHE 1 HA PHE 1 -11.029 -2.512 -14.541 155 HB2 PHE 1 1HB PHE 1 -11.021 0.084 -14.469 156 HB3 PHE 1 2HB PHE 1 -12.126 -0.045 -13.125 157 HD1 PHE 1 HD1 PHE 1 -11.192 -1.928 -11.239 158 HD2 PHE 1 HD2 PHE 1 -8.827 0.512 -13.875 159 HE1 PHE 1 HE1 PHE 1 -9.260 -2.176 -9.729 160 HE2 PHE 1 HE2 PHE 1 -6.921 0.326 -12.328 161 HZ PHE 1 HZ PHE 1 -7.123 -1.047 -10.250 162 H VAL 2 H VAL 2 -11.351 -4.222 -13.377 163 HA VAL 2 HA VAL 2 -13.431 -4.111 -11.248 164 HB VAL 2 HB VAL 2 -13.932 -5.828 -13.005 165 HG11 VAL 2 1HG1 VAL 2 -12.616 -7.891 -13.144 166 HG12 VAL 2 2HG1 VAL 2 -11.592 -6.487 -13.550 167 HG13 VAL 2 3HG1 VAL 2 -11.464 -7.254 -11.948 168 HG21 VAL 2 3HG2 VAL 2 -14.751 -6.032 -10.657 169 HG22 VAL 2 1HG2 VAL 2 -14.499 -7.607 -11.436 170 HG23 VAL 2 2HG2 VAL 2 -13.314 -7.003 -10.269 171 H ASN 3 H ASN 3 -12.819 -4.732 -9.225 172 HA ASN 3 HA ASN 3 -10.002 -4.304 -8.631 173 HB2 ASN 3 1HB ASN 3 -10.709 -4.581 -6.285 174 HB3 ASN 3 2HB ASN 3 -11.737 -3.423 -7.143 175 HD21 ASN 3 2HD2 ASN 3 -13.891 -3.860 -7.489 176 HD22 ASN 3 1HD2 ASN 3 -14.694 -5.223 -6.741 177 H GLN 4 H GLN 4 -8.518 -5.785 -7.926 178 HA GLN 4 HA GLN 4 -9.067 -8.637 -7.659 179 HB2 GLN 4 1HB GLN 4 -7.979 -9.348 -9.735 180 HB3 GLN 4 2HB GLN 4 -9.374 -8.336 -10.111 181 HG2 GLN 4 1HG GLN 4 -7.735 -6.374 -10.333 182 HG3 GLN 4 2HG GLN 4 -6.445 -7.576 -10.259 183 HE21 GLN 4 2HE2 GLN 4 -9.318 -6.537 -12.038 184 HE22 GLN 4 1HE2 GLN 4 -8.820 -7.230 -13.574 185 H HIS 5 H HIS 5 -6.750 -9.755 -7.933 186 HA HIS 5 HA HIS 5 -4.801 -8.178 -6.389 187 HB2 HIS 5 1HB HIS 5 -4.716 -10.979 -7.590 188 HB3 HIS 5 2HB HIS 5 -3.393 -10.242 -6.683 189 HD1 HIS 5 HD1 HIS 5 -3.842 -9.670 -4.108 190 HD2 HIS 5 HD2 HIS 5 -6.713 -12.085 -5.984 191 HE1 HIS 5 HE1 HIS 5 -5.234 -10.753 -2.254 192 HE2 HIS 5 HE2 HIS 5 -6.924 -12.240 -3.403 193 H LEU 6 H LEU 6 -4.063 -6.517 -7.667 194 HA LEU 6 HA LEU 6 -3.205 -7.117 -10.450 195 HB2 LEU 6 1HB LEU 6 -3.430 -4.586 -8.799 196 HB3 LEU 6 2HB LEU 6 -2.669 -4.617 -10.391 197 HG LEU 6 HG LEU 6 -5.469 -5.605 -9.970 198 HD11 LEU 6 1HD1 LEU 6 -5.513 -3.356 -9.143 199 HD12 LEU 6 2HD1 LEU 6 -6.236 -3.359 -10.761 200 HD13 LEU 6 3HD1 LEU 6 -4.565 -2.774 -10.519 201 HD21 LEU 6 3HD2 LEU 6 -3.961 -4.587 -12.404 202 HD22 LEU 6 1HD2 LEU 6 -5.693 -5.015 -12.388 203 HD23 LEU 6 2HD2 LEU 6 -4.475 -6.263 -12.079 204 H CYS 7 H CYS 7 -1.092 -7.307 -11.027 205 HA CYS 7 HA CYS 7 0.976 -6.361 -9.167 206 HB2 CYS 7 1HB CYS 7 0.180 -8.861 -8.696 207 HB3 CYS 7 2HB CYS 7 1.267 -9.211 -10.053 208 H GLY 8 H GLY 8 3.180 -6.509 -10.100 209 HA2 GLY 8 1HA GLY 8 4.625 -6.024 -11.837 210 HA3 GLY 8 2HA GLY 8 3.812 -7.364 -12.649 211 H SER 9 H SER 9 3.794 -6.678 -14.706 212 HA SER 9 HA SER 9 3.340 -4.033 -15.582 213 HB2 SER 9 1HB SER 9 2.451 -6.424 -17.190 214 HB3 SER 9 2HB SER 9 3.296 -4.949 -17.719 215 HG SER 9 HG SER 9 4.848 -6.496 -17.636 216 H HIS 10 H HIS 10 1.038 -6.624 -14.730 217 HA HIS 10 HA HIS 10 -1.285 -5.380 -15.851 218 HB2 HIS 10 1HB HIS 10 -0.946 -7.759 -14.866 219 HB3 HIS 10 2HB HIS 10 -1.417 -6.993 -13.334 220 HD1 HIS 10 HD1 HIS 10 -3.555 -8.796 -13.792 221 HD2 HIS 10 HD2 HIS 10 -3.303 -5.326 -16.124 222 HE1 HIS 10 HE1 HIS 10 -5.840 -8.424 -14.821 223 HE2 HIS 10 HE2 HIS 10 -5.688 -6.330 -16.227 224 H LEU 11 H LEU 11 0.376 -5.065 -12.695 225 HA LEU 11 HA LEU 11 -1.537 -3.252 -11.523 226 HB2 LEU 11 1HB LEU 11 0.827 -4.450 -10.728 227 HB3 LEU 11 2HB LEU 11 1.307 -2.773 -10.880 228 HG LEU 11 HG LEU 11 -0.912 -3.843 -9.110 229 HD11 LEU 11 1HD1 LEU 11 0.632 -3.310 -7.277 230 HD12 LEU 11 2HD1 LEU 11 1.846 -2.743 -8.442 231 HD13 LEU 11 3HD1 LEU 11 1.371 -4.458 -8.387 232 HD21 LEU 11 3HD2 LEU 11 -1.443 -1.571 -9.830 233 HD22 LEU 11 1HD2 LEU 11 0.189 -1.032 -9.390 234 HD23 LEU 11 2HD2 LEU 11 -0.945 -1.573 -8.134 235 H VAL 12 H VAL 12 1.474 -2.716 -13.455 236 HA VAL 12 HA VAL 12 1.278 0.144 -13.324 237 HB VAL 12 HB VAL 12 2.527 -1.529 -15.559 238 HG11 VAL 12 1HG1 VAL 12 2.206 0.848 -16.201 239 HG12 VAL 12 2HG1 VAL 12 3.033 1.374 -14.708 240 HG13 VAL 12 3HG1 VAL 12 3.929 0.480 -15.972 241 HG21 VAL 12 3HG2 VAL 12 4.671 -1.172 -14.318 242 HG22 VAL 12 1HG2 VAL 12 3.747 -0.435 -12.987 243 HG23 VAL 12 2HG2 VAL 12 3.504 -2.147 -13.402 244 H GLU 13 H GLU 13 -0.024 -2.211 -15.676 245 HA GLU 13 HA GLU 13 -1.110 -0.321 -17.514 246 HB2 GLU 13 1HB GLU 13 -1.780 -3.165 -16.741 247 HB3 GLU 13 2HB GLU 13 -2.788 -2.288 -17.910 248 HG2 GLU 13 1HG GLU 13 -1.099 -2.195 -19.490 249 HG3 GLU 13 2HG GLU 13 0.193 -2.406 -18.296 250 HE2 GLU 13 HE2 GLU 13 -1.779 -5.572 -19.639 251 H ALA 14 H ALA 14 -2.501 -1.800 -14.545 252 HA ALA 14 HA ALA 14 -5.086 -0.571 -14.856 253 HB1 ALA 14 3HB ALA 14 -4.653 -2.449 -13.348 254 HB2 ALA 14 1HB ALA 14 -3.588 -1.427 -12.363 255 HB3 ALA 14 2HB ALA 14 -5.317 -1.064 -12.467 256 H LEU 15 H LEU 15 -2.095 0.496 -13.190 257 HA LEU 15 HA LEU 15 -3.245 2.937 -12.196 258 HB2 LEU 15 1HB LEU 15 -0.677 1.627 -12.329 259 HB3 LEU 15 2HB LEU 15 -0.492 3.321 -12.755 260 HG LEU 15 HG LEU 15 -1.838 2.341 -10.225 261 HD11 LEU 15 1HD1 LEU 15 0.978 3.389 -10.640 262 HD12 LEU 15 2HD1 LEU 15 0.529 1.716 -10.257 263 HD13 LEU 15 3HD1 LEU 15 0.235 3.006 -9.071 264 HD21 LEU 15 3HD2 LEU 15 -1.532 4.686 -9.444 265 HD22 LEU 15 1HD2 LEU 15 -2.598 4.591 -10.859 266 HD23 LEU 15 2HD2 LEU 15 -0.911 5.128 -11.049 267 H TYR 16 H TYR 16 -1.704 2.068 -15.309 268 HA TYR 16 HA TYR 16 -1.621 4.747 -16.330 269 HB2 TYR 16 1HB TYR 16 -0.332 3.037 -17.436 270 HB3 TYR 16 2HB TYR 16 -1.777 2.047 -17.700 271 HD1 TYR 16 HD2 TYR 16 -0.064 5.219 -18.717 272 HD2 TYR 16 HD1 TYR 16 -3.287 2.477 -19.529 273 HE1 TYR 16 HE2 TYR 16 -0.510 6.369 -20.892 274 HE2 TYR 16 HE1 TYR 16 -3.732 3.645 -21.689 275 HH TYR 16 HH TYR 16 -3.167 5.378 -23.066 276 H LEU 17 H LEU 17 -4.105 2.151 -16.475 277 HA LEU 17 HA LEU 17 -5.775 3.638 -18.277 278 HB2 LEU 17 1HB LEU 17 -6.318 1.358 -16.336 279 HB3 LEU 17 2HB LEU 17 -7.562 2.010 -17.408 280 HG LEU 17 HG LEU 17 -4.916 0.998 -18.482 281 HD11 LEU 17 1HD1 LEU 17 -5.974 -1.169 -18.919 282 HD12 LEU 17 2HD1 LEU 17 -7.442 -0.643 -18.057 283 HD13 LEU 17 3HD1 LEU 17 -5.903 -0.820 -17.175 284 HD21 LEU 17 3HD2 LEU 17 -6.265 2.357 -20.021 285 HD22 LEU 17 1HD2 LEU 17 -7.658 1.300 -19.751 286 HD23 LEU 17 2HD2 LEU 17 -6.210 0.671 -20.551 287 H VAL 18 H VAL 18 -5.674 3.398 -14.705 288 HA VAL 18 HA VAL 18 -7.993 5.132 -14.548 289 HB VAL 18 HB VAL 18 -7.548 3.364 -12.841 290 HG11 VAL 18 1HG1 VAL 18 -5.423 5.226 -11.770 291 HG12 VAL 18 2HG1 VAL 18 -5.957 3.660 -11.108 292 HG13 VAL 18 3HG1 VAL 18 -5.111 3.713 -12.659 293 HG21 VAL 18 3HG2 VAL 18 -7.731 6.197 -11.800 294 HG22 VAL 18 1HG2 VAL 18 -9.087 5.155 -12.315 295 HG23 VAL 18 2HG2 VAL 18 -8.125 4.741 -10.873 296 H CYS 19 H CYS 19 -4.478 5.663 -14.335 297 HA CYS 19 HA CYS 19 -5.118 8.596 -14.085 298 HB2 CYS 19 1HB CYS 19 -4.142 7.291 -12.043 299 HB3 CYS 19 2HB CYS 19 -2.627 7.409 -12.947 300 H GLY 20 H GLY 20 -2.800 6.262 -15.489 301 HA2 GLY 20 1HA GLY 20 -0.892 8.162 -16.306 302 HA3 GLY 20 2HA GLY 20 -1.170 6.610 -17.105 303 H GLU 21 H GLU 21 -3.768 6.963 -18.004 304 HA GLU 21 HA GLU 21 -3.272 8.739 -20.259 305 HB2 GLU 21 1HB GLU 21 -5.320 7.891 -21.170 306 HB3 GLU 21 2HB GLU 21 -4.319 6.581 -20.551 307 HG2 GLU 21 1HG GLU 21 -5.755 6.499 -18.494 308 HG3 GLU 21 2HG GLU 21 -6.811 7.700 -19.247 309 HE2 GLU 21 HE2 GLU 21 -7.724 5.442 -18.525 310 H ARG 22 H ARG 22 -3.904 9.739 -17.312 311 HA ARG 22 HA ARG 22 -5.936 11.776 -18.147 312 HB2 ARG 22 1HB ARG 22 -5.490 10.402 -15.690 313 HB3 ARG 22 2HB ARG 22 -5.040 12.096 -15.429 314 HG2 ARG 22 1HG ARG 22 -7.300 12.078 -14.911 315 HG3 ARG 22 2HG ARG 22 -7.290 12.619 -16.609 316 HD2 ARG 22 1HD ARG 22 -8.866 10.950 -16.756 317 HD3 ARG 22 2HD ARG 22 -7.381 10.021 -17.082 318 HE ARG 22 HE ARG 22 -7.576 8.974 -14.980 319 HH11 ARG 22 1HH1 ARG 22 -10.022 11.528 -15.188 320 HH12 ARG 22 2HH1 ARG 22 -10.804 11.010 -13.718 321 HH21 ARG 22 1HH2 ARG 22 -8.616 8.388 -13.153 322 HH22 ARG 22 2HH2 ARG 22 -10.037 9.249 -12.607 323 H GLY 23 H GLY 23 -2.738 11.259 -18.323 324 HA2 GLY 23 1HA GLY 23 -1.130 12.821 -19.017 325 HA3 GLY 23 2HA GLY 23 -2.234 14.131 -18.589 326 H GLY 24 H GLY 24 -1.347 11.608 -16.296 327 HA2 GLY 24 1HA GLY 24 0.419 13.583 -14.877 328 HA3 GLY 24 2HA GLY 24 -0.699 12.480 -14.033 329 H PHE 25 H PHE 25 0.466 10.954 -13.076 330 HA PHE 25 HA PHE 25 1.576 8.998 -12.853 331 HB2 PHE 25 1HB PHE 25 0.507 8.810 -15.234 332 HB3 PHE 25 2HB PHE 25 2.173 8.851 -15.801 333 HD1 PHE 25 HD1 PHE 25 0.641 7.200 -12.775 334 HD2 PHE 25 HD2 PHE 25 2.678 6.696 -16.530 335 HE1 PHE 25 HE1 PHE 25 0.865 4.802 -12.323 336 HE2 PHE 25 HE2 PHE 25 2.876 4.252 -16.095 337 HZ PHE 25 HZ PHE 25 1.976 3.298 -13.975 338 H TYR 26 H TYR 26 3.649 7.715 -13.405 339 HA TYR 26 HA TYR 26 5.935 9.663 -13.376 340 HB2 TYR 26 1HB TYR 26 6.957 8.241 -11.671 341 HB3 TYR 26 2HB TYR 26 5.380 8.797 -11.113 342 HD1 TYR 26 HD1 TYR 26 3.446 7.220 -10.993 343 HD2 TYR 26 HD2 TYR 26 7.355 5.866 -12.147 344 HE1 TYR 26 HE1 TYR 26 2.725 4.867 -10.667 345 HE2 TYR 26 HE2 TYR 26 6.637 3.511 -11.790 346 HH TYR 26 HH TYR 26 4.948 2.108 -11.149 347 H NVA 27 H ARX 27 4.497 7.225 -14.981 348 HA NVA 27 HA ARX 27 5.030 5.461 -16.315 349 HB2 NVA 27 1HB ARX 27 5.195 7.895 -17.481 350 HB3 NVA 27 2HB ARX 27 6.801 7.311 -17.875 351 HG2 NVA 27 1HG ARX 27 5.320 5.053 -18.562 352 HG3 NVA 27 2HG ARX 27 4.081 6.283 -18.765 353 HD2 NVA 27 1HD ARX 27 5.057 6.024 -20.871 354 HD3 NVA 27 2HD ARX 27 5.785 7.537 -20.312 355 HA PRO 28 HA PRO 28 9.097 3.703 -15.122 356 HB2 PRO 28 1HB PRO 28 8.297 1.169 -14.572 357 HB3 PRO 28 2HB PRO 28 8.003 2.520 -13.430 358 HG2 PRO 28 1HG PRO 28 6.119 1.285 -15.426 359 HG3 PRO 28 2HG PRO 28 5.829 1.703 -13.714 360 HD2 PRO 28 1HD PRO 28 5.087 3.296 -15.850 361 HD3 PRO 28 2HD PRO 28 5.435 3.939 -14.209 362 H HIX 29 H HIX 29 9.487 4.189 -17.409 363 HA HIX 29 HA HIX 29 8.719 2.498 -19.552 364 HB1 HIX 29 1HB HIX 29 10.764 4.727 -19.280 365 HB2 HIX 29 2HB HIX 29 10.739 3.748 -20.740 366 HD2 HIX 29 HD2 HIX 29 7.665 5.191 -18.571 367 HD1 HIX 29 HD1 HIX 29 9.154 5.068 -22.522 368 H THR 30 H THR 30 9.594 1.038 -20.786 369 HA THR 30 HA THR 30 12.189 -0.112 -20.635 370 HB THR 30 HB THR 30 11.408 -0.981 -18.440 371 HG1 THR 30 HG1 THR 30 11.865 -3.167 -18.898 372 HG21 THR 30 1HG2 THR 30 9.232 -2.472 -20.008 373 HG22 THR 30 2HG2 THR 30 8.937 -1.141 -18.868 374 HG23 THR 30 3HG2 THR 30 9.611 -2.679 -18.296 375 HXT THR 30 H02 THR 30 9.401 -1.170 -23.066 Start of MODEL 25 1 H1 GLY 1 2H0 GLY 1 3.354 1.734 0.951 2 H2 GLY 1 1H0 GLY 1 2.547 2.150 -0.433 3 HA2 GLY 1 1HA GLY 1 4.194 0.499 -1.032 4 HA3 GLY 1 2HA GLY 1 3.622 -0.543 0.287 5 H ILE 2 H ILE 2 3.018 0.684 -2.917 6 HA ILE 2 HA ILE 2 0.473 -0.346 -3.411 7 HB ILE 2 HB ILE 2 1.715 1.177 -4.950 8 HG12 ILE 2 1HG1 ILE 2 1.093 0.055 -7.123 9 HG13 ILE 2 2HG1 ILE 2 0.711 -1.401 -6.210 10 HG21 ILE 2 1HG2 ILE 2 3.953 -0.002 -4.847 11 HG22 ILE 2 2HG2 ILE 2 3.296 -1.314 -5.856 12 HG23 ILE 2 3HG2 ILE 2 3.439 0.341 -6.497 13 HD11 ILE 2 3HD1 ILE 2 -1.337 -0.187 -6.683 14 HD12 ILE 2 1HD1 ILE 2 -1.035 -0.109 -4.949 15 HD13 ILE 2 2HD1 ILE 2 -0.668 1.291 -5.991 16 H VAL 3 H VAL 3 3.507 -2.215 -3.437 17 HA VAL 3 HA VAL 3 2.365 -4.510 -4.741 18 HB VAL 3 HB VAL 3 4.716 -4.182 -2.830 19 HG11 VAL 3 1HG1 VAL 3 3.997 -6.526 -2.707 20 HG12 VAL 3 2HG1 VAL 3 3.883 -6.628 -4.489 21 HG13 VAL 3 3HG1 VAL 3 5.465 -6.423 -3.689 22 HG21 VAL 3 3HG2 VAL 3 4.981 -3.041 -4.982 23 HG22 VAL 3 1HG2 VAL 3 6.072 -4.440 -4.909 24 HG23 VAL 3 2HG2 VAL 3 4.561 -4.533 -5.852 25 H GLU 4 H GLU 4 2.772 -3.597 -1.321 26 HA GLU 4 HA GLU 4 1.610 -6.049 -0.345 27 HB2 GLU 4 1HB GLU 4 2.267 -3.410 0.989 28 HB3 GLU 4 2HB GLU 4 1.704 -4.853 1.846 29 HG2 GLU 4 1HG GLU 4 3.629 -6.105 1.179 30 HG3 GLU 4 2HG GLU 4 4.176 -4.801 0.127 31 HE2 GLU 4 HE2 GLU 4 3.611 -5.717 3.271 32 H GLN 5 H GLN 5 0.230 -3.125 -1.538 33 HA GLN 5 HA GLN 5 -2.332 -3.659 -0.105 34 HB2 GLN 5 1HB GLN 5 -1.243 -1.347 -0.378 35 HB3 GLN 5 2HB GLN 5 -1.735 -1.428 -2.068 36 HG2 GLN 5 1HG GLN 5 -3.724 -1.766 0.207 37 HG3 GLN 5 2HG GLN 5 -3.273 -0.165 -0.412 38 HE21 GLN 5 2HE2 GLN 5 -5.671 -2.273 -0.493 39 HE22 GLN 5 1HE2 GLN 5 -6.252 -2.057 -2.125 40 H CYS 6 H CYS 6 -0.911 -3.663 -3.396 41 HA CYS 6 HA CYS 6 -3.580 -4.395 -4.454 42 HB2 CYS 6 1HB CYS 6 -2.353 -2.328 -5.181 43 HB3 CYS 6 2HB CYS 6 -1.157 -3.391 -5.965 44 H CYS 7 H CYS 7 -0.249 -5.656 -4.355 45 HA CYS 7 HA CYS 7 -0.991 -7.842 -6.225 46 HB2 CYS 7 1HB CYS 7 1.450 -7.584 -4.418 47 HB3 CYS 7 2HB CYS 7 1.211 -8.789 -5.675 48 H THR 8 H THR 8 -0.225 -7.317 -2.780 49 HA THR 8 HA THR 8 -0.945 -9.976 -1.975 50 HB THR 8 HB THR 8 -0.846 -7.451 -0.267 51 HG1 THR 8 HG1 THR 8 1.295 -9.214 -0.792 52 HG21 THR 8 1HG2 THR 8 -1.690 -9.372 0.950 53 HG22 THR 8 2HG2 THR 8 -0.022 -9.030 1.456 54 HG23 THR 8 3HG2 THR 8 -0.349 -10.383 0.343 55 H SER 9 H SER 9 -2.795 -6.864 -1.850 56 HA SER 9 HA SER 9 -5.166 -8.471 -0.969 57 HB2 SER 9 1HB SER 9 -5.369 -5.586 -0.676 58 HB3 SER 9 2HB SER 9 -5.637 -6.880 0.506 59 HG SER 9 HG SER 9 -3.411 -6.938 0.853 60 H ILE 10 H ILE 10 -7.252 -6.979 -1.539 61 HA ILE 10 HA ILE 10 -7.290 -6.955 -4.491 62 HB ILE 10 HB ILE 10 -9.474 -6.513 -2.383 63 HG12 ILE 10 1HG1 ILE 10 -8.670 -8.837 -2.492 64 HG13 ILE 10 2HG1 ILE 10 -10.347 -8.670 -2.964 65 HG21 ILE 10 1HG2 ILE 10 -10.126 -5.254 -4.344 66 HG22 ILE 10 2HG2 ILE 10 -9.652 -6.575 -5.433 67 HG23 ILE 10 3HG2 ILE 10 -11.082 -6.760 -4.377 68 HD11 ILE 10 3HD1 ILE 10 -8.025 -8.973 -4.922 69 HD12 ILE 10 1HD1 ILE 10 -9.121 -10.268 -4.391 70 HD13 ILE 10 2HD1 ILE 10 -9.755 -8.912 -5.336 71 H CYS 11 H CYS 11 -7.067 -5.098 -5.622 72 HA CYS 11 HA CYS 11 -7.341 -2.524 -4.115 73 HB2 CYS 11 1HB CYS 11 -5.735 -1.775 -6.029 74 HB3 CYS 11 2HB CYS 11 -5.085 -2.650 -4.635 75 H SER 12 H SER 12 -8.753 -1.090 -4.881 76 HA SER 12 HA SER 12 -10.117 -1.640 -7.484 77 HB2 SER 12 1HB SER 12 -10.812 0.355 -5.275 78 HB3 SER 12 2HB SER 12 -11.825 -0.104 -6.651 79 HG SER 12 HG SER 12 -12.478 -1.266 -4.863 80 H LEU 13 H LEU 13 -10.612 0.400 -8.787 81 HA LEU 13 HA LEU 13 -8.267 1.796 -9.445 82 HB2 LEU 13 1HB LEU 13 -9.644 3.105 -10.881 83 HB3 LEU 13 2HB LEU 13 -10.242 1.468 -10.877 84 HG LEU 13 HG LEU 13 -11.850 2.616 -8.977 85 HD11 LEU 13 1HD1 LEU 13 -12.654 4.750 -9.925 86 HD12 LEU 13 2HD1 LEU 13 -11.414 4.673 -11.177 87 HD13 LEU 13 3HD1 LEU 13 -10.937 4.884 -9.482 88 HD21 LEU 13 3HD2 LEU 13 -12.510 1.121 -10.764 89 HD22 LEU 13 1HD2 LEU 13 -12.262 2.431 -11.936 90 HD23 LEU 13 2HD2 LEU 13 -13.547 2.577 -10.717 91 H TYR 14 H TYR 14 -10.811 2.565 -7.150 92 HA TYR 14 HA TYR 14 -10.181 5.278 -6.644 93 HB2 TYR 14 1HB TYR 14 -12.202 4.003 -5.870 94 HB3 TYR 14 2HB TYR 14 -11.191 3.187 -4.665 95 HD1 TYR 14 HD2 TYR 14 -10.290 4.445 -2.743 96 HD2 TYR 14 HD1 TYR 14 -12.839 6.340 -5.648 97 HE1 TYR 14 HE2 TYR 14 -10.700 6.315 -1.158 98 HE2 TYR 14 HE1 TYR 14 -13.257 8.196 -4.028 99 HH TYR 14 HH TYR 14 -11.765 8.270 -0.799 100 H GLN 15 H GLN 15 -8.829 2.256 -5.299 101 HA GLN 15 HA GLN 15 -7.135 3.643 -3.398 102 HB2 GLN 15 1HB GLN 15 -7.601 0.848 -4.286 103 HB3 GLN 15 2HB GLN 15 -5.909 1.191 -3.916 104 HG2 GLN 15 1HG GLN 15 -8.227 1.733 -2.032 105 HG3 GLN 15 2HG GLN 15 -7.215 0.280 -1.991 106 HE21 GLN 15 2HE2 GLN 15 -7.679 2.444 -0.013 107 HE22 GLN 15 1HE2 GLN 15 -6.088 3.024 0.392 108 H LEU 16 H LEU 16 -6.790 2.263 -6.680 109 HA LEU 16 HA LEU 16 -3.982 2.653 -6.940 110 HB2 LEU 16 1HB LEU 16 -6.209 2.602 -8.908 111 HB3 LEU 16 2HB LEU 16 -4.562 2.850 -9.434 112 HG LEU 16 HG LEU 16 -5.958 0.440 -9.159 113 HD11 LEU 16 1HD1 LEU 16 -3.007 1.004 -9.577 114 HD12 LEU 16 2HD1 LEU 16 -4.268 1.001 -10.831 115 HD13 LEU 16 3HD1 LEU 16 -3.844 -0.508 -9.984 116 HD21 LEU 16 3HD2 LEU 16 -3.662 0.508 -7.170 117 HD22 LEU 16 1HD2 LEU 16 -4.521 -0.935 -7.752 118 HD23 LEU 16 2HD2 LEU 16 -5.381 0.273 -6.782 119 H GLU 17 H GLU 17 -6.627 4.952 -7.360 120 HA GLU 17 HA GLU 17 -5.131 7.028 -8.637 121 HB2 GLU 17 1HB GLU 17 -7.511 7.073 -6.779 122 HB3 GLU 17 2HB GLU 17 -6.783 8.561 -7.412 123 HG2 GLU 17 1HG GLU 17 -7.117 7.740 -9.690 124 HG3 GLU 17 2HG GLU 17 -7.913 6.301 -9.055 125 HE2 GLU 17 HE2 GLU 17 -9.892 9.598 -9.493 126 H ASN 18 H ASN 18 -5.093 5.952 -5.252 127 HA ASN 18 HA ASN 18 -3.947 8.400 -4.186 128 HB2 ASN 18 1HB ASN 18 -3.672 5.527 -3.238 129 HB3 ASN 18 2HB ASN 18 -3.186 6.939 -2.322 130 HD21 ASN 18 2HD2 ASN 18 -5.276 4.736 -2.052 131 HD22 ASN 18 1HD2 ASN 18 -6.724 5.621 -1.627 132 H TYR 19 H TYR 19 -2.722 5.937 -6.238 133 HA TYR 19 HA TYR 19 0.100 6.495 -5.469 134 HB2 TYR 19 1HB TYR 19 -1.091 4.376 -7.293 135 HB3 TYR 19 2HB TYR 19 0.609 4.482 -6.749 136 HD1 TYR 19 HD2 TYR 19 1.186 3.918 -4.355 137 HD2 TYR 19 HD1 TYR 19 -2.813 3.595 -5.844 138 HE1 TYR 19 HE2 TYR 19 0.523 2.548 -2.349 139 HE2 TYR 19 HE1 TYR 19 -3.471 2.218 -3.921 140 HH TYR 19 HH TYR 19 -2.812 1.368 -1.907 141 H CYS 20 H CYS 20 -2.058 8.047 -7.288 142 HA CYS 20 HA CYS 20 -0.882 8.214 -9.896 143 HB2 CYS 20 1HB CYS 20 -2.417 10.133 -8.127 144 HB3 CYS 20 2HB CYS 20 -1.759 10.649 -9.696 145 H ASN 21 H ASN 21 -0.129 9.733 -6.792 146 HA ASN 21 HA ASN 21 1.605 10.870 -5.958 147 HB2 ASN 21 1HB ASN 21 2.747 8.727 -6.856 148 HB3 ASN 21 2HB ASN 21 3.400 9.725 -8.150 149 HD21 ASN 21 2HD2 ASN 21 5.487 9.223 -7.338 150 HD22 ASN 21 1HD2 ASN 21 6.099 10.106 -5.953 151 HXT ASN 21 H02 ASN 21 2.033 11.142 -9.272 152 H1 PHE 1 2H0 PHE 1 -12.125 -0.754 -16.376 153 H2 PHE 1 1H0 PHE 1 -12.937 -2.169 -16.120 154 HA PHE 1 HA PHE 1 -10.774 -2.116 -14.924 155 HB2 PHE 1 1HB PHE 1 -11.094 0.415 -14.548 156 HB3 PHE 1 2HB PHE 1 -12.177 -0.013 -13.238 157 HD1 PHE 1 HD2 PHE 1 -11.122 -1.750 -11.404 158 HD2 PHE 1 HD1 PHE 1 -8.867 0.789 -14.082 159 HE1 PHE 1 HE2 PHE 1 -9.134 -1.955 -9.937 160 HE2 PHE 1 HE1 PHE 1 -6.894 0.597 -12.588 161 HZ PHE 1 HZ PHE 1 -7.024 -0.804 -10.538 162 H VAL 2 H VAL 2 -10.723 -3.936 -13.858 163 HA VAL 2 HA VAL 2 -12.960 -4.547 -11.969 164 HB VAL 2 HB VAL 2 -10.981 -6.455 -13.236 165 HG11 VAL 2 1HG1 VAL 2 -13.415 -6.990 -11.486 166 HG12 VAL 2 2HG1 VAL 2 -12.447 -8.239 -12.300 167 HG13 VAL 2 3HG1 VAL 2 -11.719 -7.244 -11.018 168 HG21 VAL 2 3HG2 VAL 2 -12.555 -5.622 -14.915 169 HG22 VAL 2 1HG2 VAL 2 -12.960 -7.319 -14.509 170 HG23 VAL 2 2HG2 VAL 2 -13.908 -5.971 -13.837 171 H ASN 3 H ASN 3 -12.573 -4.601 -9.917 172 HA ASN 3 HA ASN 3 -9.887 -4.156 -8.864 173 HB2 ASN 3 1HB ASN 3 -11.011 -4.214 -6.674 174 HB3 ASN 3 2HB ASN 3 -11.762 -3.047 -7.768 175 HD21 ASN 3 2HD2 ASN 3 -12.389 -5.371 -5.558 176 HD22 ASN 3 1HD2 ASN 3 -13.980 -5.832 -6.097 177 H GLN 4 H GLN 4 -8.488 -5.696 -8.462 178 HA GLN 4 HA GLN 4 -9.241 -8.355 -7.476 179 HB2 GLN 4 1HB GLN 4 -8.386 -9.559 -9.422 180 HB3 GLN 4 2HB GLN 4 -9.737 -8.539 -9.922 181 HG2 GLN 4 1HG GLN 4 -8.009 -6.818 -10.649 182 HG3 GLN 4 2HG GLN 4 -6.789 -8.065 -10.409 183 HE21 GLN 4 2HE2 GLN 4 -8.828 -6.637 -12.581 184 HE22 GLN 4 1HE2 GLN 4 -8.828 -7.890 -13.811 185 H HIS 5 H HIS 5 -6.949 -9.650 -7.663 186 HA HIS 5 HA HIS 5 -4.919 -7.915 -6.481 187 HB2 HIS 5 1HB HIS 5 -4.810 -10.812 -7.450 188 HB3 HIS 5 2HB HIS 5 -3.525 -9.977 -6.565 189 HD1 HIS 5 HD1 HIS 5 -3.996 -9.336 -4.040 190 HD2 HIS 5 HD2 HIS 5 -6.874 -11.806 -5.818 191 HE1 HIS 5 HE1 HIS 5 -5.448 -10.279 -2.156 192 HE2 HIS 5 HE2 HIS 5 -7.143 -11.792 -3.234 193 H LEU 6 H LEU 6 -3.482 -6.768 -7.631 194 HA LEU 6 HA LEU 6 -2.980 -7.555 -10.483 195 HB2 LEU 6 1HB LEU 6 -3.473 -4.784 -9.346 196 HB3 LEU 6 2HB LEU 6 -2.808 -5.067 -10.945 197 HG LEU 6 HG LEU 6 -5.440 -6.321 -10.218 198 HD11 LEU 6 1HD1 LEU 6 -6.599 -4.270 -11.023 199 HD12 LEU 6 2HD1 LEU 6 -5.028 -3.428 -10.993 200 HD13 LEU 6 3HD1 LEU 6 -5.728 -4.044 -9.493 201 HD21 LEU 6 3HD2 LEU 6 -4.417 -6.914 -12.351 202 HD22 LEU 6 1HD2 LEU 6 -4.237 -5.191 -12.789 203 HD23 LEU 6 2HD2 LEU 6 -5.859 -5.928 -12.642 204 H CYS 7 H CYS 7 -0.861 -7.475 -11.058 205 HA CYS 7 HA CYS 7 1.061 -6.158 -9.274 206 HB2 CYS 7 1HB CYS 7 0.474 -8.696 -8.616 207 HB3 CYS 7 2HB CYS 7 1.663 -9.016 -9.887 208 H GLY 8 H GLY 8 3.326 -6.369 -10.213 209 HA2 GLY 8 1HA GLY 8 4.724 -5.970 -12.005 210 HA3 GLY 8 2HA GLY 8 3.901 -7.337 -12.744 211 H SER 9 H SER 9 3.751 -6.770 -14.828 212 HA SER 9 HA SER 9 3.268 -4.166 -15.771 213 HB2 SER 9 1HB SER 9 2.420 -6.677 -17.215 214 HB3 SER 9 2HB SER 9 3.009 -5.157 -17.904 215 HG SER 9 HG SER 9 4.707 -6.615 -17.906 216 H HIS 10 H HIS 10 1.012 -6.717 -14.751 217 HA HIS 10 HA HIS 10 -1.313 -5.481 -15.896 218 HB2 HIS 10 1HB HIS 10 -0.817 -7.845 -14.562 219 HB3 HIS 10 2HB HIS 10 -1.733 -6.922 -13.374 220 HD1 HIS 10 HD1 HIS 10 -3.236 -9.305 -14.344 221 HD2 HIS 10 HD2 HIS 10 -3.242 -5.717 -16.513 222 HE1 HIS 10 HE1 HIS 10 -5.283 -9.343 -15.860 223 HE2 HIS 10 HE2 HIS 10 -5.275 -7.174 -17.147 224 H LEU 11 H LEU 11 0.420 -5.113 -12.787 225 HA LEU 11 HA LEU 11 -1.528 -3.346 -11.628 226 HB2 LEU 11 1HB LEU 11 0.798 -4.494 -10.787 227 HB3 LEU 11 2HB LEU 11 1.307 -2.841 -10.988 228 HG LEU 11 HG LEU 11 -0.912 -3.837 -9.203 229 HD11 LEU 11 1HD1 LEU 11 1.740 -2.551 -8.487 230 HD12 LEU 11 2HD1 LEU 11 1.448 -4.297 -8.497 231 HD13 LEU 11 3HD1 LEU 11 0.545 -3.266 -7.373 232 HD21 LEU 11 3HD2 LEU 11 -1.523 -1.616 -10.015 233 HD22 LEU 11 1HD2 LEU 11 0.089 -1.002 -9.581 234 HD23 LEU 11 2HD2 LEU 11 -1.015 -1.542 -8.320 235 H VAL 12 H VAL 12 1.531 -2.671 -13.464 236 HA VAL 12 HA VAL 12 1.098 0.171 -13.161 237 HB VAL 12 HB VAL 12 3.328 -0.932 -13.657 238 HG11 VAL 12 1HG1 VAL 12 4.041 -1.232 -15.927 239 HG12 VAL 12 2HG1 VAL 12 2.603 -2.234 -15.663 240 HG13 VAL 12 3HG1 VAL 12 2.461 -0.704 -16.550 241 HG21 VAL 12 3HG2 VAL 12 2.932 1.505 -13.646 242 HG22 VAL 12 1HG2 VAL 12 4.187 1.027 -14.812 243 HG23 VAL 12 2HG2 VAL 12 2.542 1.436 -15.372 244 H GLU 13 H GLU 13 0.024 -2.187 -15.571 245 HA GLU 13 HA GLU 13 -1.105 -0.347 -17.449 246 HB2 GLU 13 1HB GLU 13 -1.741 -3.154 -16.602 247 HB3 GLU 13 2HB GLU 13 -2.825 -2.302 -17.709 248 HG2 GLU 13 1HG GLU 13 -1.198 -2.184 -19.392 249 HG3 GLU 13 2HG GLU 13 0.126 -2.519 -18.258 250 HE2 GLU 13 HE2 GLU 13 -0.007 -5.619 -19.581 251 H ALA 14 H ALA 14 -2.493 -1.854 -14.473 252 HA ALA 14 HA ALA 14 -5.070 -0.629 -14.798 253 HB1 ALA 14 3HB ALA 14 -5.330 -1.094 -12.370 254 HB2 ALA 14 1HB ALA 14 -4.667 -2.501 -13.243 255 HB3 ALA 14 2HB ALA 14 -3.598 -1.469 -12.277 256 H LEU 15 H LEU 15 -2.107 0.432 -13.108 257 HA LEU 15 HA LEU 15 -3.231 2.875 -12.078 258 HB2 LEU 15 1HB LEU 15 -0.809 1.480 -11.949 259 HB3 LEU 15 2HB LEU 15 -0.369 2.957 -12.786 260 HG LEU 15 HG LEU 15 -1.820 2.843 -10.115 261 HD11 LEU 15 1HD1 LEU 15 1.114 3.225 -10.847 262 HD12 LEU 15 2HD1 LEU 15 0.393 1.917 -9.871 263 HD13 LEU 15 3HD1 LEU 15 0.433 3.579 -9.246 264 HD21 LEU 15 3HD2 LEU 15 -2.208 4.955 -11.382 265 HD22 LEU 15 1HD2 LEU 15 -0.456 5.234 -11.432 266 HD23 LEU 15 2HD2 LEU 15 -1.318 5.193 -9.876 267 H TYR 16 H TYR 16 -1.729 2.012 -15.236 268 HA TYR 16 HA TYR 16 -1.664 4.723 -16.214 269 HB2 TYR 16 1HB TYR 16 -0.321 3.097 -17.345 270 HB3 TYR 16 2HB TYR 16 -1.687 1.996 -17.528 271 HD1 TYR 16 HD2 TYR 16 -0.414 5.334 -18.677 272 HD2 TYR 16 HD1 TYR 16 -3.090 2.037 -19.414 273 HE1 TYR 16 HE2 TYR 16 -0.970 6.281 -20.933 274 HE2 TYR 16 HE1 TYR 16 -3.653 3.004 -21.654 275 HH TYR 16 HH TYR 16 -2.266 6.045 -22.830 276 H LEU 17 H LEU 17 -4.130 2.089 -16.366 277 HA LEU 17 HA LEU 17 -5.834 3.519 -18.165 278 HB2 LEU 17 1HB LEU 17 -6.369 1.331 -16.120 279 HB3 LEU 17 2HB LEU 17 -7.599 1.926 -17.248 280 HG LEU 17 HG LEU 17 -4.976 0.777 -18.209 281 HD11 LEU 17 1HD1 LEU 17 -7.602 -0.704 -17.811 282 HD12 LEU 17 2HD1 LEU 17 -6.121 -0.919 -16.841 283 HD13 LEU 17 3HD1 LEU 17 -6.115 -1.352 -18.561 284 HD21 LEU 17 3HD2 LEU 17 -6.160 2.121 -19.855 285 HD22 LEU 17 1HD2 LEU 17 -7.659 1.205 -19.558 286 HD23 LEU 17 2HD2 LEU 17 -6.246 0.404 -20.276 287 H VAL 18 H VAL 18 -5.645 3.415 -14.604 288 HA VAL 18 HA VAL 18 -7.999 5.136 -14.467 289 HB VAL 18 HB VAL 18 -7.602 3.373 -12.777 290 HG11 VAL 18 1HG1 VAL 18 -5.137 3.636 -12.627 291 HG12 VAL 18 2HG1 VAL 18 -5.381 5.113 -11.689 292 HG13 VAL 18 3HG1 VAL 18 -5.951 3.560 -11.073 293 HG21 VAL 18 3HG2 VAL 18 -8.112 4.725 -10.771 294 HG22 VAL 18 1HG2 VAL 18 -7.664 6.182 -11.657 295 HG23 VAL 18 2HG2 VAL 18 -9.064 5.220 -12.193 296 H CYS 19 H CYS 19 -4.507 5.600 -14.231 297 HA CYS 19 HA CYS 19 -5.032 8.495 -13.703 298 HB2 CYS 19 1HB CYS 19 -4.074 7.043 -11.825 299 HB3 CYS 19 2HB CYS 19 -2.579 7.030 -12.752 300 H GLY 20 H GLY 20 -2.934 6.237 -15.473 301 HA2 GLY 20 1HA GLY 20 -1.125 8.267 -16.412 302 HA3 GLY 20 2HA GLY 20 -1.406 6.677 -17.165 303 H GLU 21 H GLU 21 -4.272 7.086 -17.437 304 HA GLU 21 HA GLU 21 -4.316 8.736 -19.871 305 HB2 GLU 21 1HB GLU 21 -6.401 7.030 -18.453 306 HB3 GLU 21 2HB GLU 21 -6.672 7.831 -19.998 307 HG2 GLU 21 1HG GLU 21 -4.319 6.011 -19.792 308 HG3 GLU 21 2HG GLU 21 -5.932 5.285 -19.799 309 HE2 GLU 21 HE2 GLU 21 -5.972 5.427 -23.108 310 H ARG 22 H ARG 22 -4.002 10.001 -17.145 311 HA ARG 22 HA ARG 22 -6.339 11.822 -17.287 312 HB2 ARG 22 1HB ARG 22 -6.895 9.894 -15.759 313 HB3 ARG 22 2HB ARG 22 -5.549 10.367 -14.725 314 HG2 ARG 22 1HG ARG 22 -7.497 11.206 -13.703 315 HG3 ARG 22 2HG ARG 22 -6.669 12.609 -14.401 316 HD2 ARG 22 1HD ARG 22 -8.997 12.849 -14.922 317 HD3 ARG 22 2HD ARG 22 -8.152 12.379 -16.417 318 HE ARG 22 HE ARG 22 -9.032 10.015 -15.138 319 HH11 ARG 22 1HH1 ARG 22 -10.521 12.779 -16.784 320 HH12 ARG 22 2HH1 ARG 22 -11.903 11.841 -17.273 321 HH21 ARG 22 1HH2 ARG 22 -10.820 8.908 -15.794 322 HH22 ARG 22 2HH2 ARG 22 -12.074 9.715 -16.719 323 H GLY 23 H GLY 23 -3.318 11.118 -15.485 324 HA2 GLY 23 1HA GLY 23 -2.971 14.070 -15.140 325 HA3 GLY 23 2HA GLY 23 -2.445 12.857 -13.964 326 H GLY 24 H GLY 24 -0.336 13.015 -13.915 327 HA2 GLY 24 1HA GLY 24 1.185 13.395 -16.429 328 HA3 GLY 24 2HA GLY 24 1.770 13.693 -14.790 329 H PHE 25 H PHE 25 0.728 11.061 -13.878 330 HA PHE 25 HA PHE 25 1.533 8.949 -13.505 331 HB2 PHE 25 1HB PHE 25 0.885 8.978 -16.071 332 HB3 PHE 25 2HB PHE 25 2.620 8.798 -16.315 333 HD1 PHE 25 HD2 PHE 25 0.111 7.336 -13.865 334 HD2 PHE 25 HD1 PHE 25 3.132 6.586 -16.850 335 HE1 PHE 25 HE2 PHE 25 -0.146 4.909 -13.511 336 HE2 PHE 25 HE1 PHE 25 2.877 4.123 -16.483 337 HZ PHE 25 HZ PHE 25 1.218 3.297 -14.805 338 H TYR 26 H TYR 26 3.728 7.514 -14.003 339 HA TYR 26 HA TYR 26 6.072 9.306 -13.654 340 HB2 TYR 26 1HB TYR 26 6.783 8.096 -11.696 341 HB3 TYR 26 2HB TYR 26 5.133 8.696 -11.422 342 HD1 TYR 26 HD2 TYR 26 3.185 7.111 -11.587 343 HD2 TYR 26 HD1 TYR 26 7.242 5.714 -11.738 344 HE1 TYR 26 HE2 TYR 26 2.398 4.795 -11.169 345 HE2 TYR 26 HE1 TYR 26 6.443 3.379 -11.263 346 HH TYR 26 HH TYR 26 4.662 2.059 -10.869 347 H NVA 27 H ARX 27 4.729 6.799 -15.250 348 HA NVA 27 HA ARX 27 5.451 4.710 -16.039 349 HB2 NVA 27 1HB ARX 27 5.232 6.729 -17.727 350 HB3 NVA 27 2HB ARX 27 6.946 6.451 -17.962 351 HG2 NVA 27 1HG ARX 27 6.051 3.831 -18.167 352 HG3 NVA 27 2HG ARX 27 4.569 4.654 -18.652 353 HD2 NVA 27 1HD ARX 27 5.666 4.241 -20.665 354 HD3 NVA 27 2HD ARX 27 6.102 5.943 -20.377 355 HA PRO 28 HA PRO 28 9.674 3.826 -14.530 356 HB2 PRO 28 1HB PRO 28 9.278 1.343 -13.574 357 HB3 PRO 28 2HB PRO 28 8.598 2.778 -12.753 358 HG2 PRO 28 1HG PRO 28 7.222 0.908 -14.652 359 HG3 PRO 28 2HG PRO 28 6.682 1.473 -13.043 360 HD2 PRO 28 1HD PRO 28 5.854 2.621 -15.407 361 HD3 PRO 28 2HD PRO 28 6.019 3.537 -13.863 362 H HIX 29 H HIX 29 10.061 4.040 -16.891 363 HA HIX 29 HA HIX 29 10.075 1.765 -18.658 364 HB1 HIX 29 1HB HIX 29 11.475 4.457 -18.862 365 HB2 HIX 29 2HB HIX 29 11.681 3.194 -20.071 366 HD2 HIX 29 HD2 HIX 29 8.284 4.281 -18.224 367 HD1 HIX 29 HD1 HIX 29 9.993 3.962 -22.073 368 H THR 30 H THR 30 11.391 0.260 -19.091 369 HA THR 30 HA THR 30 14.168 0.071 -18.043 370 HB THR 30 HB THR 30 13.644 -2.215 -17.004 371 HG1 THR 30 HG1 THR 30 10.973 -1.216 -16.861 372 HG21 THR 30 1HG2 THR 30 12.174 0.066 -15.597 373 HG22 THR 30 2HG2 THR 30 13.919 -0.150 -15.545 374 HG23 THR 30 3HG2 THR 30 12.843 -1.379 -14.859 375 HXT THR 30 H02 THR 30 11.866 -2.032 -19.073 Start of MODEL 26 1 H1 GLY 1 2H0 GLY 1 5.427 -0.851 -0.294 2 H2 GLY 1 1H0 GLY 1 4.486 -2.149 -0.063 3 HA2 GLY 1 1HA GLY 1 3.000 -0.481 0.436 4 HA3 GLY 1 2HA GLY 1 3.671 0.569 -0.835 5 H ILE 2 H ILE 2 3.169 0.224 -2.983 6 HA ILE 2 HA ILE 2 0.424 -0.357 -3.472 7 HB ILE 2 HB ILE 2 1.680 1.188 -4.947 8 HG12 ILE 2 1HG1 ILE 2 1.153 0.180 -7.204 9 HG13 ILE 2 2HG1 ILE 2 0.706 -1.300 -6.384 10 HG21 ILE 2 1HG2 ILE 2 3.433 0.467 -6.488 11 HG22 ILE 2 2HG2 ILE 2 3.916 0.008 -4.850 12 HG23 ILE 2 3HG2 ILE 2 3.281 -1.222 -5.967 13 HD11 ILE 2 3HD1 ILE 2 -1.082 -0.042 -5.144 14 HD12 ILE 2 1HD1 ILE 2 -0.626 1.407 -6.081 15 HD13 ILE 2 2HD1 ILE 2 -1.285 -0.003 -6.915 16 H VAL 3 H VAL 3 3.345 -2.365 -3.728 17 HA VAL 3 HA VAL 3 1.984 -4.524 -5.050 18 HB VAL 3 HB VAL 3 4.477 -4.192 -5.091 19 HG11 VAL 3 1HG1 VAL 3 4.728 -3.570 -2.661 20 HG12 VAL 3 2HG1 VAL 3 4.528 -5.286 -2.244 21 HG13 VAL 3 3HG1 VAL 3 5.914 -4.757 -3.239 22 HG21 VAL 3 3HG2 VAL 3 5.111 -6.542 -4.927 23 HG22 VAL 3 1HG2 VAL 3 3.666 -6.897 -3.960 24 HG23 VAL 3 2HG2 VAL 3 3.497 -6.397 -5.655 25 H GLU 4 H GLU 4 2.411 -3.645 -1.605 26 HA GLU 4 HA GLU 4 1.394 -6.217 -0.671 27 HB2 GLU 4 1HB GLU 4 1.840 -3.522 0.690 28 HB3 GLU 4 2HB GLU 4 1.322 -5.000 1.538 29 HG2 GLU 4 1HG GLU 4 3.378 -6.141 0.953 30 HG3 GLU 4 2HG GLU 4 3.866 -4.788 -0.073 31 HE2 GLU 4 HE2 GLU 4 3.471 -5.873 2.983 32 H GLN 5 H GLN 5 0.026 -3.238 -1.785 33 HA GLN 5 HA GLN 5 -2.561 -3.786 -0.503 34 HB2 GLN 5 1HB GLN 5 -1.434 -1.482 -1.039 35 HB3 GLN 5 2HB GLN 5 -2.158 -1.702 -2.636 36 HG2 GLN 5 1HG GLN 5 -3.668 -0.411 -1.280 37 HG3 GLN 5 2HG GLN 5 -4.379 -2.017 -1.524 38 HE21 GLN 5 2HE2 GLN 5 -5.432 -2.628 0.281 39 HE22 GLN 5 1HE2 GLN 5 -4.830 -2.430 1.892 40 H CYS 6 H CYS 6 -1.126 -3.927 -3.774 41 HA CYS 6 HA CYS 6 -3.767 -4.891 -4.788 42 HB2 CYS 6 1HB CYS 6 -1.313 -3.789 -6.179 43 HB3 CYS 6 2HB CYS 6 -2.694 -4.478 -7.027 44 H CYS 7 H CYS 7 -0.371 -6.066 -4.555 45 HA CYS 7 HA CYS 7 -1.021 -8.307 -6.342 46 HB2 CYS 7 1HB CYS 7 1.269 -7.162 -5.960 47 HB3 CYS 7 2HB CYS 7 1.355 -8.126 -4.481 48 H THR 8 H THR 8 -0.223 -7.788 -2.894 49 HA THR 8 HA THR 8 -0.996 -10.378 -2.012 50 HB THR 8 HB THR 8 -0.992 -7.764 -0.470 51 HG1 THR 8 HG1 THR 8 1.228 -8.734 0.007 52 HG21 THR 8 1HG2 THR 8 -0.365 -9.208 1.468 53 HG22 THR 8 2HG2 THR 8 -0.499 -10.636 0.415 54 HG23 THR 8 3HG2 THR 8 -1.936 -9.685 0.789 55 H SER 9 H SER 9 -2.825 -7.265 -2.072 56 HA SER 9 HA SER 9 -5.230 -8.831 -1.235 57 HB2 SER 9 1HB SER 9 -4.676 -5.927 -0.675 58 HB3 SER 9 2HB SER 9 -5.991 -6.910 -0.028 59 HG SER 9 HG SER 9 -3.243 -6.957 0.572 60 H ILE 10 H ILE 10 -7.248 -7.199 -1.614 61 HA ILE 10 HA ILE 10 -7.336 -6.808 -4.558 62 HB ILE 10 HB ILE 10 -9.498 -6.704 -2.376 63 HG12 ILE 10 1HG1 ILE 10 -8.679 -8.973 -2.810 64 HG13 ILE 10 2HG1 ILE 10 -10.361 -8.776 -3.276 65 HG21 ILE 10 1HG2 ILE 10 -10.234 -5.173 -4.086 66 HG22 ILE 10 2HG2 ILE 10 -9.721 -6.257 -5.394 67 HG23 ILE 10 3HG2 ILE 10 -11.122 -6.686 -4.391 68 HD11 ILE 10 3HD1 ILE 10 -9.655 -8.572 -5.658 69 HD12 ILE 10 1HD1 ILE 10 -7.967 -8.849 -5.151 70 HD13 ILE 10 2HD1 ILE 10 -9.199 -10.114 -4.918 71 H CYS 11 H CYS 11 -7.358 -4.777 -5.430 72 HA CYS 11 HA CYS 11 -7.832 -2.481 -3.601 73 HB2 CYS 11 1HB CYS 11 -5.984 -1.251 -4.692 74 HB3 CYS 11 2HB CYS 11 -5.394 -2.705 -3.861 75 H SER 12 H SER 12 -8.807 -0.733 -4.571 76 HA SER 12 HA SER 12 -10.106 -1.342 -7.206 77 HB2 SER 12 1HB SER 12 -11.044 0.482 -4.936 78 HB3 SER 12 2HB SER 12 -11.949 0.038 -6.409 79 HG SER 12 HG SER 12 -12.589 -1.251 -4.649 80 H LEU 13 H LEU 13 -10.766 0.697 -8.381 81 HA LEU 13 HA LEU 13 -8.511 2.135 -9.128 82 HB2 LEU 13 1HB LEU 13 -9.929 3.438 -10.471 83 HB3 LEU 13 2HB LEU 13 -10.571 1.833 -10.446 84 HG LEU 13 HG LEU 13 -12.065 3.064 -8.464 85 HD11 LEU 13 1HD1 LEU 13 -11.607 5.052 -10.738 86 HD12 LEU 13 2HD1 LEU 13 -11.062 5.278 -9.066 87 HD13 LEU 13 3HD1 LEU 13 -12.804 5.224 -9.438 88 HD21 LEU 13 3HD2 LEU 13 -13.818 3.019 -10.144 89 HD22 LEU 13 1HD2 LEU 13 -12.797 1.563 -10.245 90 HD23 LEU 13 2HD2 LEU 13 -12.602 2.884 -11.431 91 H TYR 14 H TYR 14 -10.853 2.886 -6.612 92 HA TYR 14 HA TYR 14 -10.149 5.614 -6.238 93 HB2 TYR 14 1HB TYR 14 -12.146 4.406 -5.300 94 HB3 TYR 14 2HB TYR 14 -11.062 3.628 -4.127 95 HD1 TYR 14 HD2 TYR 14 -12.526 6.895 -5.197 96 HD2 TYR 14 HD1 TYR 14 -10.192 4.856 -2.223 97 HE1 TYR 14 HE2 TYR 14 -12.712 8.866 -3.692 98 HE2 TYR 14 HE1 TYR 14 -10.398 6.823 -0.716 99 HH TYR 14 HH TYR 14 -11.285 8.947 -0.429 100 H GLN 15 H GLN 15 -8.774 2.629 -4.773 101 HA GLN 15 HA GLN 15 -6.940 4.181 -3.140 102 HB2 GLN 15 1HB GLN 15 -6.911 1.258 -3.990 103 HB3 GLN 15 2HB GLN 15 -5.669 1.989 -2.984 104 HG2 GLN 15 1HG GLN 15 -7.064 0.954 -1.448 105 HG3 GLN 15 2HG GLN 15 -7.540 2.660 -1.364 106 HE21 GLN 15 2HE2 GLN 15 -9.645 2.563 -0.831 107 HE22 GLN 15 1HE2 GLN 15 -10.855 1.680 -1.712 108 H LEU 16 H LEU 16 -6.809 2.510 -6.300 109 HA LEU 16 HA LEU 16 -4.072 2.816 -6.857 110 HB2 LEU 16 1HB LEU 16 -6.549 2.594 -8.421 111 HB3 LEU 16 2HB LEU 16 -5.194 3.303 -9.281 112 HG LEU 16 HG LEU 16 -5.515 0.914 -9.715 113 HD11 LEU 16 1HD1 LEU 16 -2.926 1.516 -8.272 114 HD12 LEU 16 2HD1 LEU 16 -3.322 1.935 -9.959 115 HD13 LEU 16 3HD1 LEU 16 -3.198 0.229 -9.466 116 HD21 LEU 16 3HD2 LEU 16 -6.306 0.204 -7.519 117 HD22 LEU 16 1HD2 LEU 16 -4.675 0.476 -6.835 118 HD23 LEU 16 2HD2 LEU 16 -4.933 -0.762 -8.080 119 H GLU 17 H GLU 17 -6.686 5.202 -7.278 120 HA GLU 17 HA GLU 17 -5.205 7.168 -8.698 121 HB2 GLU 17 1HB GLU 17 -7.543 7.331 -6.770 122 HB3 GLU 17 2HB GLU 17 -6.850 8.781 -7.501 123 HG2 GLU 17 1HG GLU 17 -7.274 7.906 -9.729 124 HG3 GLU 17 2HG GLU 17 -7.948 6.431 -9.039 125 HE2 GLU 17 HE2 GLU 17 -10.288 9.339 -9.669 126 H ASN 18 H ASN 18 -5.182 6.398 -5.213 127 HA ASN 18 HA ASN 18 -3.933 8.924 -4.476 128 HB2 ASN 18 1HB ASN 18 -4.070 6.220 -3.075 129 HB3 ASN 18 2HB ASN 18 -3.282 7.645 -2.384 130 HD21 ASN 18 2HD2 ASN 18 -6.307 6.136 -3.118 131 HD22 ASN 18 1HD2 ASN 18 -7.304 7.329 -2.371 132 H TYR 19 H TYR 19 -2.736 6.004 -5.967 133 HA TYR 19 HA TYR 19 0.034 6.509 -5.126 134 HB2 TYR 19 1HB TYR 19 -1.197 4.591 -7.123 135 HB3 TYR 19 2HB TYR 19 0.511 4.623 -6.675 136 HD1 TYR 19 HD2 TYR 19 1.218 3.970 -4.342 137 HD2 TYR 19 HD1 TYR 19 -2.846 3.655 -5.655 138 HE1 TYR 19 HE2 TYR 19 0.694 2.456 -2.409 139 HE2 TYR 19 HE1 TYR 19 -3.379 2.160 -3.762 140 HH TYR 19 HH TYR 19 -2.555 1.184 -1.791 141 H CYS 20 H CYS 20 -2.088 7.864 -7.306 142 HA CYS 20 HA CYS 20 -0.135 8.301 -9.469 143 HB2 CYS 20 1HB CYS 20 -2.684 8.067 -9.688 144 HB3 CYS 20 2HB CYS 20 -2.790 9.688 -8.994 145 H ASN 21 H ASN 21 -1.576 9.897 -6.663 146 HA ASN 21 HA ASN 21 0.327 12.181 -6.970 147 HB2 ASN 21 1HB ASN 21 -1.166 13.458 -5.440 148 HB3 ASN 21 2HB ASN 21 -2.023 12.964 -6.906 149 HD21 ASN 21 2HD2 ASN 21 -1.786 12.623 -3.436 150 HD22 ASN 21 1HD2 ASN 21 -3.231 11.665 -3.245 151 HXT ASN 21 H02 ASN 21 1.561 10.046 -4.360 152 H1 PHE 1 2H0 PHE 1 -12.050 0.430 -15.976 153 H2 PHE 1 1H0 PHE 1 -12.995 -0.932 -15.885 154 HA PHE 1 HA PHE 1 -10.833 -1.224 -14.709 155 HB2 PHE 1 1HB PHE 1 -10.816 1.276 -14.136 156 HB3 PHE 1 2HB PHE 1 -11.944 0.892 -12.851 157 HD1 PHE 1 HD1 PHE 1 -11.148 -1.005 -11.129 158 HD2 PHE 1 HD2 PHE 1 -8.537 1.275 -13.699 159 HE1 PHE 1 HE1 PHE 1 -9.234 -1.533 -9.666 160 HE2 PHE 1 HE2 PHE 1 -6.613 0.751 -12.199 161 HZ PHE 1 HZ PHE 1 -6.985 -0.668 -10.187 162 H VAL 2 H VAL 2 -10.900 -3.059 -13.736 163 HA VAL 2 HA VAL 2 -13.179 -3.588 -11.858 164 HB VAL 2 HB VAL 2 -11.436 -5.608 -13.331 165 HG11 VAL 2 1HG1 VAL 2 -12.182 -6.513 -11.203 166 HG12 VAL 2 2HG1 VAL 2 -13.851 -5.996 -11.535 167 HG13 VAL 2 3HG1 VAL 2 -13.093 -7.272 -12.516 168 HG21 VAL 2 3HG2 VAL 2 -14.306 -4.732 -13.813 169 HG22 VAL 2 1HG2 VAL 2 -12.927 -4.495 -14.911 170 HG23 VAL 2 2HG2 VAL 2 -13.532 -6.132 -14.599 171 H ASN 3 H ASN 3 -12.728 -3.956 -9.781 172 HA ASN 3 HA ASN 3 -10.012 -3.722 -8.783 173 HB2 ASN 3 1HB ASN 3 -11.079 -4.004 -6.598 174 HB3 ASN 3 2HB ASN 3 -11.863 -2.739 -7.563 175 HD21 ASN 3 2HD2 ASN 3 -12.379 -5.373 -5.619 176 HD22 ASN 3 1HD2 ASN 3 -14.003 -5.728 -6.116 177 H GLN 4 H GLN 4 -8.602 -5.320 -8.540 178 HA GLN 4 HA GLN 4 -9.384 -8.075 -7.929 179 HB2 GLN 4 1HB GLN 4 -8.565 -9.024 -10.040 180 HB3 GLN 4 2HB GLN 4 -9.906 -7.919 -10.367 181 HG2 GLN 4 1HG GLN 4 -8.137 -6.135 -10.849 182 HG3 GLN 4 2HG GLN 4 -6.945 -7.446 -10.835 183 HE21 GLN 4 2HE2 GLN 4 -9.147 -5.682 -12.669 184 HE22 GLN 4 1HE2 GLN 4 -9.162 -6.699 -14.082 185 H HIS 5 H HIS 5 -7.248 -9.455 -8.127 186 HA HIS 5 HA HIS 5 -5.115 -7.971 -6.817 187 HB2 HIS 5 1HB HIS 5 -5.272 -10.796 -7.944 188 HB3 HIS 5 2HB HIS 5 -3.835 -10.130 -7.146 189 HD1 HIS 5 HD1 HIS 5 -4.023 -9.544 -4.567 190 HD2 HIS 5 HD2 HIS 5 -7.283 -11.637 -6.192 191 HE1 HIS 5 HE1 HIS 5 -5.402 -10.408 -2.608 192 HE2 HIS 5 HE2 HIS 5 -7.331 -11.702 -3.596 193 H LEU 6 H LEU 6 -3.408 -7.043 -7.715 194 HA LEU 6 HA LEU 6 -2.899 -7.459 -10.638 195 HB2 LEU 6 1HB LEU 6 -3.289 -4.844 -9.147 196 HB3 LEU 6 2HB LEU 6 -2.558 -4.960 -10.739 197 HG LEU 6 HG LEU 6 -5.287 -6.091 -10.277 198 HD11 LEU 6 1HD1 LEU 6 -4.575 -3.197 -10.794 199 HD12 LEU 6 2HD1 LEU 6 -5.454 -3.871 -9.395 200 HD13 LEU 6 3HD1 LEU 6 -6.212 -3.893 -11.003 201 HD21 LEU 6 3HD2 LEU 6 -3.924 -4.838 -12.701 202 HD22 LEU 6 1HD2 LEU 6 -5.568 -5.528 -12.677 203 HD23 LEU 6 2HD2 LEU 6 -4.163 -6.580 -12.410 204 H CYS 7 H CYS 7 -0.759 -7.455 -11.109 205 HA CYS 7 HA CYS 7 1.186 -6.470 -9.118 206 HB2 CYS 7 1HB CYS 7 0.398 -9.080 -8.989 207 HB3 CYS 7 2HB CYS 7 1.690 -9.220 -10.180 208 H GLY 8 H GLY 8 3.429 -6.515 -10.101 209 HA2 GLY 8 1HA GLY 8 4.793 -5.836 -11.821 210 HA3 GLY 8 2HA GLY 8 4.099 -7.222 -12.647 211 H SER 9 H SER 9 4.023 -6.550 -14.697 212 HA SER 9 HA SER 9 3.387 -3.933 -15.559 213 HB2 SER 9 1HB SER 9 2.722 -6.341 -17.203 214 HB3 SER 9 2HB SER 9 3.512 -4.835 -17.694 215 HG SER 9 HG SER 9 5.120 -6.352 -17.567 216 H HIS 10 H HIS 10 1.229 -6.608 -14.647 217 HA HIS 10 HA HIS 10 -1.104 -5.494 -15.917 218 HB2 HIS 10 1HB HIS 10 -0.577 -7.839 -14.710 219 HB3 HIS 10 2HB HIS 10 -1.398 -7.025 -13.369 220 HD1 HIS 10 HD1 HIS 10 -3.034 -9.300 -14.261 221 HD2 HIS 10 HD2 HIS 10 -3.096 -5.680 -16.359 222 HE1 HIS 10 HE1 HIS 10 -5.165 -9.265 -15.641 223 HE2 HIS 10 HE2 HIS 10 -5.200 -7.089 -16.899 224 H LEU 11 H LEU 11 0.492 -5.084 -12.750 225 HA LEU 11 HA LEU 11 -1.524 -3.349 -11.600 226 HB2 LEU 11 1HB LEU 11 0.879 -4.478 -10.763 227 HB3 LEU 11 2HB LEU 11 1.269 -2.783 -10.866 228 HG LEU 11 HG LEU 11 -0.941 -4.000 -9.186 229 HD11 LEU 11 1HD1 LEU 11 1.320 -4.463 -8.353 230 HD12 LEU 11 2HD1 LEU 11 0.487 -3.300 -7.308 231 HD13 LEU 11 3HD1 LEU 11 1.727 -2.731 -8.454 232 HD21 LEU 11 3HD2 LEU 11 0.006 -1.104 -9.359 233 HD22 LEU 11 1HD2 LEU 11 -1.166 -1.756 -8.194 234 HD23 LEU 11 2HD2 LEU 11 -1.564 -1.725 -9.917 235 H VAL 12 H VAL 12 1.478 -2.770 -13.489 236 HA VAL 12 HA VAL 12 1.204 0.071 -13.366 237 HB VAL 12 HB VAL 12 3.149 -1.664 -14.241 238 HG11 VAL 12 1HG1 VAL 12 2.236 -0.075 -16.681 239 HG12 VAL 12 2HG1 VAL 12 3.766 -0.973 -16.517 240 HG13 VAL 12 3HG1 VAL 12 2.228 -1.839 -16.528 241 HG21 VAL 12 3HG2 VAL 12 4.432 0.364 -14.629 242 HG22 VAL 12 1HG2 VAL 12 2.925 1.314 -14.689 243 HG23 VAL 12 2HG2 VAL 12 3.416 0.504 -13.180 244 H GLU 13 H GLU 13 -0.025 -2.296 -15.682 245 HA GLU 13 HA GLU 13 -1.183 -0.477 -17.555 246 HB2 GLU 13 1HB GLU 13 -1.907 -3.269 -16.636 247 HB3 GLU 13 2HB GLU 13 -2.910 -2.410 -17.813 248 HG2 GLU 13 1HG GLU 13 -1.258 -2.429 -19.452 249 HG3 GLU 13 2HG GLU 13 0.050 -2.729 -18.282 250 HE2 GLU 13 HE2 GLU 13 -0.229 -5.841 -19.712 251 H ALA 14 H ALA 14 -2.514 -1.890 -14.507 252 HA ALA 14 HA ALA 14 -5.059 -0.618 -14.774 253 HB1 ALA 14 3HB ALA 14 -4.675 -2.460 -13.253 254 HB2 ALA 14 1HB ALA 14 -3.535 -1.480 -12.308 255 HB3 ALA 14 2HB ALA 14 -5.262 -1.045 -12.349 256 H LEU 15 H LEU 15 -2.036 0.432 -13.154 257 HA LEU 15 HA LEU 15 -3.114 2.858 -12.074 258 HB2 LEU 15 1HB LEU 15 -0.663 1.487 -12.132 259 HB3 LEU 15 2HB LEU 15 -0.322 3.004 -12.918 260 HG LEU 15 HG LEU 15 -1.388 2.648 -10.113 261 HD11 LEU 15 1HD1 LEU 15 0.822 3.510 -9.472 262 HD12 LEU 15 2HD1 LEU 15 1.302 3.520 -11.184 263 HD13 LEU 15 3HD1 LEU 15 0.917 1.982 -10.376 264 HD21 LEU 15 3HD2 LEU 15 -2.268 4.747 -11.060 265 HD22 LEU 15 1HD2 LEU 15 -0.616 5.258 -11.470 266 HD23 LEU 15 2HD2 LEU 15 -1.097 5.036 -9.770 267 H TYR 16 H TYR 16 -1.712 2.023 -15.232 268 HA TYR 16 HA TYR 16 -1.635 4.703 -16.242 269 HB2 TYR 16 1HB TYR 16 -0.320 3.067 -17.327 270 HB3 TYR 16 2HB TYR 16 -1.667 1.941 -17.497 271 HD1 TYR 16 HD2 TYR 16 -0.363 5.230 -18.724 272 HD2 TYR 16 HD1 TYR 16 -3.101 1.970 -19.387 273 HE1 TYR 16 HE2 TYR 16 -0.876 6.109 -20.999 274 HE2 TYR 16 HE1 TYR 16 -3.601 2.862 -21.654 275 HH TYR 16 HH TYR 16 -2.019 5.761 -22.963 276 H LEU 17 H LEU 17 -4.141 2.103 -16.383 277 HA LEU 17 HA LEU 17 -5.820 3.584 -18.178 278 HB2 LEU 17 1HB LEU 17 -6.284 1.268 -16.289 279 HB3 LEU 17 2HB LEU 17 -7.594 1.963 -17.268 280 HG LEU 17 HG LEU 17 -5.005 1.013 -18.549 281 HD11 LEU 17 1HD1 LEU 17 -7.488 -0.672 -18.048 282 HD12 LEU 17 2HD1 LEU 17 -5.899 -0.869 -17.262 283 HD13 LEU 17 3HD1 LEU 17 -6.064 -1.140 -19.001 284 HD21 LEU 17 3HD2 LEU 17 -6.403 0.791 -20.545 285 HD22 LEU 17 1HD2 LEU 17 -6.471 2.446 -19.916 286 HD23 LEU 17 2HD2 LEU 17 -7.827 1.328 -19.632 287 H VAL 18 H VAL 18 -5.682 3.330 -14.619 288 HA VAL 18 HA VAL 18 -8.076 4.954 -14.340 289 HB VAL 18 HB VAL 18 -7.495 3.190 -12.705 290 HG11 VAL 18 1HG1 VAL 18 -5.684 3.223 -11.282 291 HG12 VAL 18 2HG1 VAL 18 -4.977 3.839 -12.765 292 HG13 VAL 18 3HG1 VAL 18 -5.399 4.971 -11.478 293 HG21 VAL 18 3HG2 VAL 18 -8.987 4.998 -12.026 294 HG22 VAL 18 1HG2 VAL 18 -7.998 4.472 -10.652 295 HG23 VAL 18 2HG2 VAL 18 -7.599 5.983 -11.486 296 H CYS 19 H CYS 19 -4.589 5.637 -14.287 297 HA CYS 19 HA CYS 19 -5.352 8.513 -13.951 298 HB2 CYS 19 1HB CYS 19 -4.319 7.229 -11.925 299 HB3 CYS 19 2HB CYS 19 -2.800 7.509 -12.770 300 H GLY 20 H GLY 20 -3.089 6.263 -15.456 301 HA2 GLY 20 1HA GLY 20 -1.217 8.214 -16.300 302 HA3 GLY 20 2HA GLY 20 -1.522 6.684 -17.117 303 H GLU 21 H GLU 21 -4.259 7.102 -17.721 304 HA GLU 21 HA GLU 21 -3.993 8.897 -20.020 305 HB2 GLU 21 1HB GLU 21 -6.307 7.205 -18.993 306 HB3 GLU 21 2HB GLU 21 -6.295 8.074 -20.530 307 HG2 GLU 21 1HG GLU 21 -4.330 6.743 -21.239 308 HG3 GLU 21 2HG GLU 21 -4.439 5.811 -19.754 309 HE2 GLU 21 HE2 GLU 21 -4.583 5.019 -22.305 310 H ARG 22 H ARG 22 -4.310 9.865 -17.020 311 HA ARG 22 HA ARG 22 -6.343 11.942 -17.696 312 HB2 ARG 22 1HB ARG 22 -7.321 10.013 -16.409 313 HB3 ARG 22 2HB ARG 22 -6.278 10.439 -15.042 314 HG2 ARG 22 1HG ARG 22 -7.984 12.603 -16.194 315 HG3 ARG 22 2HG ARG 22 -8.830 11.296 -15.333 316 HD2 ARG 22 1HD ARG 22 -6.532 12.882 -14.155 317 HD3 ARG 22 2HD ARG 22 -8.239 13.248 -13.872 318 HE ARG 22 HE ARG 22 -8.083 10.635 -13.148 319 HH11 ARG 22 1HH1 ARG 22 -6.117 13.406 -12.198 320 HH12 ARG 22 2HH1 ARG 22 -5.780 12.747 -10.637 321 HH21 ARG 22 1HH2 ARG 22 -7.614 9.847 -11.123 322 HH22 ARG 22 2HH2 ARG 22 -6.602 10.759 -10.050 323 H GLY 23 H GLY 23 -3.625 11.073 -15.556 324 HA2 GLY 23 1HA GLY 23 -3.535 13.892 -14.636 325 HA3 GLY 23 2HA GLY 23 -2.911 12.502 -13.761 326 H GLY 24 H GLY 24 -1.671 11.640 -16.560 327 HA2 GLY 24 1HA GLY 24 0.112 12.860 -17.804 328 HA3 GLY 24 2HA GLY 24 0.666 13.490 -16.253 329 H PHE 25 H PHE 25 0.303 10.935 -14.846 330 HA PHE 25 HA PHE 25 1.430 9.040 -14.315 331 HB2 PHE 25 1HB PHE 25 0.665 8.625 -16.860 332 HB3 PHE 25 2HB PHE 25 2.409 8.546 -17.086 333 HD1 PHE 25 HD1 PHE 25 0.184 7.323 -14.267 334 HD2 PHE 25 HD2 PHE 25 3.004 6.301 -17.363 335 HE1 PHE 25 HE1 PHE 25 0.173 4.958 -13.500 336 HE2 PHE 25 HE2 PHE 25 3.014 3.955 -16.587 337 HZ PHE 25 HZ PHE 25 1.617 3.266 -14.642 338 H TYR 26 H TYR 26 3.643 7.755 -14.711 339 HA TYR 26 HA TYR 26 5.843 9.780 -14.643 340 HB2 TYR 26 1HB TYR 26 6.820 8.488 -12.794 341 HB3 TYR 26 2HB TYR 26 5.211 9.101 -12.365 342 HD1 TYR 26 HD1 TYR 26 7.184 6.077 -13.223 343 HD2 TYR 26 HD2 TYR 26 3.342 7.567 -12.017 344 HE1 TYR 26 HE1 TYR 26 6.444 3.749 -12.693 345 HE2 TYR 26 HE2 TYR 26 2.600 5.243 -11.508 346 HH TYR 26 HH TYR 26 4.760 2.431 -11.923 347 H NVA 27 H ARX 27 4.571 7.157 -16.097 348 HA NVA 27 HA ARX 27 5.233 5.205 -17.067 349 HB2 NVA 27 1HB ARX 27 5.269 7.440 -18.617 350 HB3 NVA 27 2HB ARX 27 6.888 6.848 -18.927 351 HG2 NVA 27 1HG ARX 27 5.562 4.464 -19.240 352 HG3 NVA 27 2HG ARX 27 4.212 5.558 -19.547 353 HD2 NVA 27 1HD ARX 27 5.107 5.033 -21.640 354 HD3 NVA 27 2HD ARX 27 5.690 6.681 -21.344 355 HA PRO 28 HA PRO 28 9.414 3.786 -15.827 356 HB2 PRO 28 1HB PRO 28 8.776 1.266 -15.092 357 HB3 PRO 28 2HB PRO 28 8.380 2.672 -14.037 358 HG2 PRO 28 1HG PRO 28 6.595 1.115 -15.903 359 HG3 PRO 28 2HG PRO 28 6.256 1.722 -14.257 360 HD2 PRO 28 1HD PRO 28 5.494 3.010 -16.618 361 HD3 PRO 28 2HD PRO 28 5.673 3.814 -15.038 362 H HIX 29 H HIX 29 9.870 4.077 -18.108 363 HA HIX 29 HA HIX 29 9.169 2.116 -20.123 364 HB1 HIX 29 1HB HIX 29 10.958 4.563 -20.105 365 HB2 HIX 29 2HB HIX 29 11.039 3.457 -21.469 366 HD2 HIX 29 HD2 HIX 29 7.890 4.850 -19.377 367 HD1 HIX 29 HD1 HIX 29 9.245 4.275 -23.346 368 H THR 30 H THR 30 9.982 0.402 -20.851 369 HA THR 30 HA THR 30 12.770 -0.324 -20.770 370 HB THR 30 HB THR 30 11.208 -2.470 -19.377 371 HG1 THR 30 HG1 THR 30 11.780 0.067 -18.239 372 HG21 THR 30 1HG2 THR 30 13.987 -1.251 -18.885 373 HG22 THR 30 2HG2 THR 30 13.636 -2.726 -19.813 374 HG23 THR 30 3HG2 THR 30 13.315 -2.673 -18.076 375 HXT THR 30 H02 THR 30 11.875 -2.450 -23.187 Start of MODEL 27 1 H1 GLY 1 2H0 GLY 1 1.735 -0.615 1.564 2 H2 GLY 1 1H0 GLY 1 2.925 0.506 1.819 3 HA2 GLY 1 1HA GLY 1 3.461 0.548 -0.535 4 HA3 GLY 1 2HA GLY 1 3.687 -1.062 0.135 5 H ILE 2 H ILE 2 3.040 0.136 -2.609 6 HA ILE 2 HA ILE 2 0.400 -0.583 -3.335 7 HB ILE 2 HB ILE 2 1.914 0.880 -4.684 8 HG12 ILE 2 1HG1 ILE 2 1.444 -0.098 -6.988 9 HG13 ILE 2 2HG1 ILE 2 0.856 -1.549 -6.155 10 HG21 ILE 2 1HG2 ILE 2 3.766 0.079 -6.004 11 HG22 ILE 2 2HG2 ILE 2 3.993 -0.545 -4.374 12 HG23 ILE 2 3HG2 ILE 2 3.368 -1.616 -5.644 13 HD11 ILE 2 3HD1 ILE 2 -0.968 -0.233 -5.122 14 HD12 ILE 2 1HD1 ILE 2 -0.307 1.259 -5.842 15 HD13 ILE 2 2HD1 ILE 2 -0.980 -0.006 -6.876 16 H VAL 3 H VAL 3 3.297 -2.575 -3.078 17 HA VAL 3 HA VAL 3 2.276 -4.839 -4.558 18 HB VAL 3 HB VAL 3 4.431 -4.628 -2.371 19 HG11 VAL 3 1HG1 VAL 3 3.644 -6.972 -2.459 20 HG12 VAL 3 2HG1 VAL 3 3.774 -6.964 -4.248 21 HG13 VAL 3 3HG1 VAL 3 5.239 -6.843 -3.238 22 HG21 VAL 3 3HG2 VAL 3 4.992 -3.374 -4.387 23 HG22 VAL 3 1HG2 VAL 3 5.981 -4.832 -4.330 24 HG23 VAL 3 2HG2 VAL 3 4.563 -4.768 -5.421 25 H GLU 4 H GLU 4 2.307 -4.020 -1.042 26 HA GLU 4 HA GLU 4 1.016 -6.448 -0.247 27 HB2 GLU 4 1HB GLU 4 1.242 -3.706 1.063 28 HB3 GLU 4 2HB GLU 4 0.578 -5.161 1.857 29 HG2 GLU 4 1HG GLU 4 2.710 -5.301 2.618 30 HG3 GLU 4 2HG GLU 4 2.956 -6.183 1.113 31 HE2 GLU 4 HE2 GLU 4 5.355 -3.428 1.746 32 H GLN 5 H GLN 5 -0.147 -3.327 -1.313 33 HA GLN 5 HA GLN 5 -2.897 -3.712 -0.457 34 HB2 GLN 5 1HB GLN 5 -1.687 -1.505 -0.917 35 HB3 GLN 5 2HB GLN 5 -1.798 -1.907 -2.631 36 HG2 GLN 5 1HG GLN 5 -3.626 -0.526 -2.314 37 HG3 GLN 5 2HG GLN 5 -4.383 -2.095 -2.102 38 HE21 GLN 5 2HE2 GLN 5 -2.999 0.639 -0.381 39 HE22 GLN 5 1HE2 GLN 5 -3.966 0.414 1.084 40 H CYS 6 H CYS 6 -1.136 -4.100 -3.601 41 HA CYS 6 HA CYS 6 -3.677 -5.094 -4.787 42 HB2 CYS 6 1HB CYS 6 -1.200 -3.897 -6.002 43 HB3 CYS 6 2HB CYS 6 -2.460 -4.680 -6.938 44 H CYS 7 H CYS 7 -0.200 -6.110 -4.578 45 HA CYS 7 HA CYS 7 -0.775 -8.362 -6.329 46 HB2 CYS 7 1HB CYS 7 1.526 -7.939 -4.386 47 HB3 CYS 7 2HB CYS 7 1.434 -9.190 -5.632 48 H THR 8 H THR 8 -0.377 -7.806 -2.836 49 HA THR 8 HA THR 8 -1.033 -10.543 -2.149 50 HB THR 8 HB THR 8 -0.830 -8.037 -0.412 51 HG1 THR 8 HG1 THR 8 1.180 -10.017 -0.801 52 HG21 THR 8 1HG2 THR 8 -0.322 -9.651 1.396 53 HG22 THR 8 2HG2 THR 8 -0.578 -11.015 0.295 54 HG23 THR 8 3HG2 THR 8 -1.945 -9.955 0.731 55 H SER 9 H SER 9 -2.748 -7.389 -1.889 56 HA SER 9 HA SER 9 -5.196 -8.961 -1.100 57 HB2 SER 9 1HB SER 9 -4.628 -6.019 -0.594 58 HB3 SER 9 2HB SER 9 -5.910 -7.017 0.113 59 HG SER 9 HG SER 9 -3.185 -6.811 0.711 60 H ILE 10 H ILE 10 -7.252 -7.453 -1.493 61 HA ILE 10 HA ILE 10 -7.390 -7.083 -4.446 62 HB ILE 10 HB ILE 10 -9.504 -6.844 -2.224 63 HG12 ILE 10 1HG1 ILE 10 -8.716 -9.152 -2.603 64 HG13 ILE 10 2HG1 ILE 10 -10.415 -8.922 -2.959 65 HG21 ILE 10 1HG2 ILE 10 -9.793 -6.606 -5.240 66 HG22 ILE 10 2HG2 ILE 10 -11.172 -6.851 -4.136 67 HG23 ILE 10 3HG2 ILE 10 -10.183 -5.381 -4.002 68 HD11 ILE 10 3HD1 ILE 10 -9.988 -8.931 -5.376 69 HD12 ILE 10 1HD1 ILE 10 -8.237 -9.097 -5.055 70 HD13 ILE 10 2HD1 ILE 10 -9.352 -10.397 -4.603 71 H CYS 11 H CYS 11 -7.247 -5.088 -5.372 72 HA CYS 11 HA CYS 11 -7.692 -2.758 -3.566 73 HB2 CYS 11 1HB CYS 11 -5.870 -1.559 -4.668 74 HB3 CYS 11 2HB CYS 11 -5.299 -3.038 -3.904 75 H SER 12 H SER 12 -8.518 -0.906 -4.560 76 HA SER 12 HA SER 12 -10.129 -1.516 -7.007 77 HB2 SER 12 1HB SER 12 -11.732 0.092 -6.080 78 HB3 SER 12 2HB SER 12 -11.394 -1.206 -4.921 79 HG SER 12 HG SER 12 -10.124 0.144 -3.748 80 H LEU 13 H LEU 13 -10.788 0.495 -8.227 81 HA LEU 13 HA LEU 13 -8.499 1.855 -9.118 82 HB2 LEU 13 1HB LEU 13 -9.914 3.187 -10.472 83 HB3 LEU 13 2HB LEU 13 -10.480 1.512 -10.521 84 HG LEU 13 HG LEU 13 -11.966 2.834 -8.506 85 HD11 LEU 13 1HD1 LEU 13 -13.016 4.664 -9.804 86 HD12 LEU 13 2HD1 LEU 13 -11.896 4.380 -11.143 87 HD13 LEU 13 3HD1 LEU 13 -11.272 4.979 -9.588 88 HD21 LEU 13 3HD2 LEU 13 -13.844 2.262 -9.949 89 HD22 LEU 13 1HD2 LEU 13 -12.692 0.946 -9.873 90 HD23 LEU 13 2HD2 LEU 13 -12.733 2.005 -11.317 91 H TYR 14 H TYR 14 -10.813 2.624 -6.635 92 HA TYR 14 HA TYR 14 -10.211 5.388 -6.293 93 HB2 TYR 14 1HB TYR 14 -12.189 4.115 -5.359 94 HB3 TYR 14 2HB TYR 14 -11.089 3.373 -4.205 95 HD1 TYR 14 HD1 TYR 14 -12.534 6.605 -5.288 96 HD2 TYR 14 HD2 TYR 14 -10.338 4.507 -2.240 97 HE1 TYR 14 HE1 TYR 14 -12.811 8.544 -3.755 98 HE2 TYR 14 HE2 TYR 14 -10.643 6.451 -0.676 99 HH TYR 14 HH TYR 14 -12.325 9.419 -1.616 100 H GLN 15 H GLN 15 -8.822 2.447 -4.777 101 HA GLN 15 HA GLN 15 -6.937 3.957 -3.181 102 HB2 GLN 15 1HB GLN 15 -7.175 1.072 -4.088 103 HB3 GLN 15 2HB GLN 15 -5.708 1.653 -3.275 104 HG2 GLN 15 1HG GLN 15 -6.669 1.589 -1.260 105 HG3 GLN 15 2HG GLN 15 -8.076 2.504 -1.826 106 HE21 GLN 15 2HE2 GLN 15 -9.002 1.028 -0.131 107 HE22 GLN 15 1HE2 GLN 15 -9.633 -0.506 -0.709 108 H LEU 16 H LEU 16 -6.792 2.348 -6.399 109 HA LEU 16 HA LEU 16 -4.039 2.722 -6.879 110 HB2 LEU 16 1HB LEU 16 -6.496 2.313 -8.402 111 HB3 LEU 16 2HB LEU 16 -5.216 3.136 -9.320 112 HG LEU 16 HG LEU 16 -5.271 0.726 -9.771 113 HD11 LEU 16 1HD1 LEU 16 -2.846 1.385 -8.123 114 HD12 LEU 16 2HD1 LEU 16 -3.159 1.968 -9.774 115 HD13 LEU 16 3HD1 LEU 16 -2.976 0.231 -9.452 116 HD21 LEU 16 3HD2 LEU 16 -4.630 -0.913 -8.071 117 HD22 LEU 16 1HD2 LEU 16 -6.173 -0.118 -7.689 118 HD23 LEU 16 2HD2 LEU 16 -4.671 0.344 -6.819 119 H GLU 17 H GLU 17 -6.745 5.079 -7.302 120 HA GLU 17 HA GLU 17 -5.172 7.059 -8.658 121 HB2 GLU 17 1HB GLU 17 -7.571 7.279 -6.808 122 HB3 GLU 17 2HB GLU 17 -6.834 8.671 -7.600 123 HG2 GLU 17 1HG GLU 17 -7.213 7.608 -9.807 124 HG3 GLU 17 2HG GLU 17 -8.073 6.307 -8.999 125 HE2 GLU 17 HE2 GLU 17 -10.332 8.882 -10.152 126 H ASN 18 H ASN 18 -5.274 6.181 -5.220 127 HA ASN 18 HA ASN 18 -4.081 8.677 -4.334 128 HB2 ASN 18 1HB ASN 18 -4.280 5.964 -2.990 129 HB3 ASN 18 2HB ASN 18 -3.730 7.471 -2.244 130 HD21 ASN 18 2HD2 ASN 18 -6.100 5.676 -1.716 131 HD22 ASN 18 1HD2 ASN 18 -7.464 6.760 -1.726 132 H TYR 19 H TYR 19 -2.845 5.899 -5.987 133 HA TYR 19 HA TYR 19 -0.100 6.355 -4.881 134 HB2 TYR 19 1HB TYR 19 -1.236 4.410 -6.933 135 HB3 TYR 19 2HB TYR 19 0.484 4.479 -6.474 136 HD1 TYR 19 HD2 TYR 19 1.162 3.939 -4.089 137 HD2 TYR 19 HD1 TYR 19 -2.828 3.359 -5.556 138 HE1 TYR 19 HE2 TYR 19 0.629 2.400 -2.143 139 HE2 TYR 19 HE1 TYR 19 -3.346 1.861 -3.658 140 HH TYR 19 HH TYR 19 -0.855 1.119 -1.160 141 H CYS 20 H CYS 20 -2.120 7.738 -7.160 142 HA CYS 20 HA CYS 20 0.118 8.368 -9.026 143 HB2 CYS 20 1HB CYS 20 -2.093 7.436 -9.856 144 HB3 CYS 20 2HB CYS 20 -2.787 8.994 -9.396 145 H ASN 21 H ASN 21 -2.428 9.733 -7.002 146 HA ASN 21 HA ASN 21 -1.651 12.495 -7.393 147 HB2 ASN 21 1HB ASN 21 -3.969 11.746 -6.775 148 HB3 ASN 21 2HB ASN 21 -3.361 11.099 -5.260 149 HD21 ASN 21 2HD2 ASN 21 -4.035 12.417 -3.684 150 HD22 ASN 21 1HD2 ASN 21 -3.924 14.156 -3.681 151 HXT ASN 21 H02 ASN 21 0.601 12.981 -5.004 152 H1 PHE 1 2H0 PHE 1 -12.088 -0.736 -16.199 153 H2 PHE 1 1H0 PHE 1 -13.203 -1.917 -15.941 154 HA PHE 1 HA PHE 1 -11.164 -2.160 -14.510 155 HB2 PHE 1 1HB PHE 1 -11.154 0.443 -14.341 156 HB3 PHE 1 2HB PHE 1 -12.326 0.220 -13.056 157 HD1 PHE 1 HD2 PHE 1 -11.570 -1.437 -11.100 158 HD2 PHE 1 HD1 PHE 1 -8.892 0.499 -13.846 159 HE1 PHE 1 HE2 PHE 1 -9.697 -1.737 -9.482 160 HE2 PHE 1 HE1 PHE 1 -7.057 0.230 -12.218 161 HZ PHE 1 HZ PHE 1 -7.450 -0.901 -10.030 162 H VAL 2 H VAL 2 -11.358 -3.639 -12.966 163 HA VAL 2 HA VAL 2 -13.717 -3.518 -11.171 164 HB VAL 2 HB VAL 2 -14.155 -5.252 -12.986 165 HG11 VAL 2 1HG1 VAL 2 -11.847 -6.058 -13.317 166 HG12 VAL 2 2HG1 VAL 2 -11.865 -6.763 -11.668 167 HG13 VAL 2 3HG1 VAL 2 -12.974 -7.386 -12.906 168 HG21 VAL 2 3HG2 VAL 2 -15.038 -6.880 -11.458 169 HG22 VAL 2 1HG2 VAL 2 -13.873 -6.429 -10.207 170 HG23 VAL 2 2HG2 VAL 2 -15.162 -5.313 -10.688 171 H ASN 3 H ASN 3 -13.226 -4.276 -9.110 172 HA ASN 3 HA ASN 3 -10.428 -3.902 -8.372 173 HB2 ASN 3 1HB ASN 3 -11.219 -4.142 -6.089 174 HB3 ASN 3 2HB ASN 3 -12.238 -2.988 -6.946 175 HD21 ASN 3 2HD2 ASN 3 -14.382 -3.580 -7.508 176 HD22 ASN 3 1HD2 ASN 3 -15.186 -4.910 -6.682 177 H GLN 4 H GLN 4 -8.953 -5.388 -7.918 178 HA GLN 4 HA GLN 4 -9.532 -8.237 -7.493 179 HB2 GLN 4 1HB GLN 4 -8.623 -9.040 -9.614 180 HB3 GLN 4 2HB GLN 4 -10.029 -8.025 -9.920 181 HG2 GLN 4 1HG GLN 4 -8.504 -6.083 -10.395 182 HG3 GLN 4 2HG GLN 4 -7.149 -7.188 -10.255 183 HE21 GLN 4 2HE2 GLN 4 -9.435 -5.880 -12.272 184 HE22 GLN 4 1HE2 GLN 4 -9.138 -6.924 -13.658 185 H HIS 5 H HIS 5 -7.301 -9.414 -7.913 186 HA HIS 5 HA HIS 5 -5.182 -7.926 -6.512 187 HB2 HIS 5 1HB HIS 5 -5.285 -10.706 -7.782 188 HB3 HIS 5 2HB HIS 5 -3.878 -10.055 -6.932 189 HD1 HIS 5 HD1 HIS 5 -4.218 -9.492 -4.319 190 HD2 HIS 5 HD2 HIS 5 -7.202 -11.847 -6.066 191 HE1 HIS 5 HE1 HIS 5 -5.539 -10.533 -2.416 192 HE2 HIS 5 HE2 HIS 5 -7.301 -11.999 -3.482 193 H LEU 6 H LEU 6 -3.404 -7.013 -7.521 194 HA LEU 6 HA LEU 6 -3.075 -7.439 -10.474 195 HB2 LEU 6 1HB LEU 6 -3.376 -4.789 -9.021 196 HB3 LEU 6 2HB LEU 6 -2.634 -4.942 -10.600 197 HG LEU 6 HG LEU 6 -5.415 -5.956 -10.101 198 HD11 LEU 6 1HD1 LEU 6 -6.196 -3.692 -10.916 199 HD12 LEU 6 2HD1 LEU 6 -4.531 -3.115 -10.654 200 HD13 LEU 6 3HD1 LEU 6 -5.482 -3.714 -9.293 201 HD21 LEU 6 3HD2 LEU 6 -4.375 -6.567 -12.217 202 HD22 LEU 6 1HD2 LEU 6 -3.983 -4.884 -12.557 203 HD23 LEU 6 2HD2 LEU 6 -5.681 -5.408 -12.493 204 H CYS 7 H CYS 7 -0.917 -7.397 -11.084 205 HA CYS 7 HA CYS 7 1.051 -6.309 -9.223 206 HB2 CYS 7 1HB CYS 7 0.432 -8.835 -8.672 207 HB3 CYS 7 2HB CYS 7 1.564 -9.161 -9.987 208 H GLY 8 H GLY 8 3.304 -6.471 -10.144 209 HA2 GLY 8 1HA GLY 8 4.725 -5.928 -11.864 210 HA3 GLY 8 2HA GLY 8 4.007 -7.325 -12.649 211 H SER 9 H SER 9 3.814 -6.809 -14.691 212 HA SER 9 HA SER 9 3.407 -4.202 -15.701 213 HB2 SER 9 1HB SER 9 2.541 -6.677 -17.172 214 HB3 SER 9 2HB SER 9 3.372 -5.231 -17.772 215 HG SER 9 HG SER 9 4.943 -6.775 -17.583 216 H HIS 10 H HIS 10 1.022 -6.675 -14.680 217 HA HIS 10 HA HIS 10 -1.187 -5.318 -15.933 218 HB2 HIS 10 1HB HIS 10 -0.960 -7.753 -14.886 219 HB3 HIS 10 2HB HIS 10 -1.658 -6.922 -13.496 220 HD1 HIS 10 HD1 HIS 10 -3.609 -8.898 -14.432 221 HD2 HIS 10 HD2 HIS 10 -3.143 -5.265 -16.465 222 HE1 HIS 10 HE1 HIS 10 -5.710 -8.539 -15.812 223 HE2 HIS 10 HE2 HIS 10 -5.427 -6.328 -17.030 224 H LEU 11 H LEU 11 0.503 -5.055 -12.815 225 HA LEU 11 HA LEU 11 -1.431 -3.278 -11.591 226 HB2 LEU 11 1HB LEU 11 0.992 -4.428 -10.846 227 HB3 LEU 11 2HB LEU 11 1.327 -2.708 -10.863 228 HG LEU 11 HG LEU 11 -0.827 -4.114 -9.269 229 HD11 LEU 11 1HD1 LEU 11 0.495 -3.549 -7.341 230 HD12 LEU 11 2HD1 LEU 11 1.691 -2.710 -8.356 231 HD13 LEU 11 3HD1 LEU 11 1.486 -4.471 -8.485 232 HD21 LEU 11 3HD2 LEU 11 -1.607 -1.880 -9.872 233 HD22 LEU 11 1HD2 LEU 11 -0.073 -1.176 -9.286 234 HD23 LEU 11 2HD2 LEU 11 -1.200 -1.981 -8.160 235 H VAL 12 H VAL 12 1.587 -2.657 -13.547 236 HA VAL 12 HA VAL 12 1.177 0.175 -13.262 237 HB VAL 12 HB VAL 12 3.393 -0.929 -13.784 238 HG11 VAL 12 1HG1 VAL 12 2.344 -0.847 -16.619 239 HG12 VAL 12 2HG1 VAL 12 4.027 -1.177 -16.112 240 HG13 VAL 12 3HG1 VAL 12 2.722 -2.301 -15.671 241 HG21 VAL 12 3HG2 VAL 12 2.546 1.427 -15.486 242 HG22 VAL 12 1HG2 VAL 12 2.999 1.500 -13.776 243 HG23 VAL 12 2HG2 VAL 12 4.213 1.025 -14.979 244 H GLU 13 H GLU 13 0.015 -2.220 -15.546 245 HA GLU 13 HA GLU 13 -1.116 -0.386 -17.455 246 HB2 GLU 13 1HB GLU 13 -1.691 -3.202 -16.600 247 HB3 GLU 13 2HB GLU 13 -2.826 -2.377 -17.640 248 HG2 GLU 13 1HG GLU 13 -1.184 -2.085 -19.352 249 HG3 GLU 13 2HG GLU 13 0.083 -2.693 -18.279 250 HE2 GLU 13 HE2 GLU 13 -0.764 -5.375 -20.372 251 H ALA 14 H ALA 14 -2.398 -1.755 -14.360 252 HA ALA 14 HA ALA 14 -4.990 -0.563 -14.702 253 HB1 ALA 14 3HB ALA 14 -3.455 -1.278 -12.179 254 HB2 ALA 14 1HB ALA 14 -5.209 -0.918 -12.266 255 HB3 ALA 14 2HB ALA 14 -4.552 -2.343 -13.079 256 H LEU 15 H LEU 15 -1.992 0.525 -13.130 257 HA LEU 15 HA LEU 15 -2.998 3.002 -12.147 258 HB2 LEU 15 1HB LEU 15 -0.395 1.685 -12.630 259 HB3 LEU 15 2HB LEU 15 -0.327 3.407 -12.919 260 HG LEU 15 HG LEU 15 -1.145 2.155 -10.313 261 HD11 LEU 15 1HD1 LEU 15 1.034 3.183 -9.572 262 HD12 LEU 15 2HD1 LEU 15 1.388 3.522 -11.280 263 HD13 LEU 15 3HD1 LEU 15 1.189 1.844 -10.706 264 HD21 LEU 15 3HD2 LEU 15 -2.274 4.325 -10.641 265 HD22 LEU 15 1HD2 LEU 15 -0.693 5.077 -11.012 266 HD23 LEU 15 2HD2 LEU 15 -1.000 4.437 -9.388 267 H TYR 16 H TYR 16 -1.693 2.058 -15.369 268 HA TYR 16 HA TYR 16 -1.701 4.751 -16.439 269 HB2 TYR 16 1HB TYR 16 -0.453 2.990 -17.540 270 HB3 TYR 16 2HB TYR 16 -1.902 2.014 -17.737 271 HD1 TYR 16 HD1 TYR 16 -0.462 5.316 -18.758 272 HD2 TYR 16 HD2 TYR 16 -3.191 2.141 -19.705 273 HE1 TYR 16 HE1 TYR 16 -0.906 6.353 -20.988 274 HE2 TYR 16 HE2 TYR 16 -3.627 3.157 -21.917 275 HH TYR 16 HH TYR 16 -3.163 4.892 -23.329 276 H LEU 17 H LEU 17 -4.173 2.103 -16.482 277 HA LEU 17 HA LEU 17 -5.931 3.551 -18.222 278 HB2 LEU 17 1HB LEU 17 -6.410 1.315 -16.216 279 HB3 LEU 17 2HB LEU 17 -7.655 1.914 -17.320 280 HG LEU 17 HG LEU 17 -4.987 0.871 -18.279 281 HD11 LEU 17 1HD1 LEU 17 -7.611 -0.656 -17.944 282 HD12 LEU 17 2HD1 LEU 17 -6.110 -0.918 -17.024 283 HD13 LEU 17 3HD1 LEU 17 -6.134 -1.267 -18.751 284 HD21 LEU 17 3HD2 LEU 17 -7.646 1.313 -19.660 285 HD22 LEU 17 1HD2 LEU 17 -6.250 0.520 -20.393 286 HD23 LEU 17 2HD2 LEU 17 -6.124 2.225 -19.904 287 H VAL 18 H VAL 18 -5.666 3.384 -14.667 288 HA VAL 18 HA VAL 18 -8.019 5.040 -14.394 289 HB VAL 18 HB VAL 18 -7.366 3.252 -12.792 290 HG11 VAL 18 1HG1 VAL 18 -5.392 5.215 -11.576 291 HG12 VAL 18 2HG1 VAL 18 -5.662 3.478 -11.225 292 HG13 VAL 18 3HG1 VAL 18 -4.904 3.941 -12.721 293 HG21 VAL 18 3HG2 VAL 18 -9.034 4.908 -12.186 294 HG22 VAL 18 1HG2 VAL 18 -8.001 4.485 -10.780 295 HG23 VAL 18 2HG2 VAL 18 -7.745 6.024 -11.631 296 H CYS 19 H CYS 19 -4.512 5.644 -14.313 297 HA CYS 19 HA CYS 19 -5.188 8.527 -13.929 298 HB2 CYS 19 1HB CYS 19 -4.025 7.290 -12.025 299 HB3 CYS 19 2HB CYS 19 -2.614 7.245 -13.095 300 H GLY 20 H GLY 20 -2.889 6.362 -15.576 301 HA2 GLY 20 1HA GLY 20 -1.301 8.413 -16.662 302 HA3 GLY 20 2HA GLY 20 -1.454 6.793 -17.343 303 H GLU 21 H GLU 21 -4.267 6.980 -17.963 304 HA GLU 21 HA GLU 21 -4.075 8.340 -20.503 305 HB2 GLU 21 1HB GLU 21 -6.416 7.161 -18.962 306 HB3 GLU 21 2HB GLU 21 -6.567 7.822 -20.597 307 HG2 GLU 21 1HG GLU 21 -4.873 6.180 -21.396 308 HG3 GLU 21 2HG GLU 21 -4.814 5.463 -19.789 309 HE2 GLU 21 HE2 GLU 21 -7.418 4.287 -22.337 310 H ARG 22 H ARG 22 -4.695 9.597 -17.407 311 HA ARG 22 HA ARG 22 -6.525 11.708 -18.334 312 HB2 ARG 22 1HB ARG 22 -5.146 11.372 -15.706 313 HB3 ARG 22 2HB ARG 22 -6.458 12.493 -16.082 314 HG2 ARG 22 1HG ARG 22 -7.886 10.515 -16.636 315 HG3 ARG 22 2HG ARG 22 -6.584 9.466 -16.020 316 HD2 ARG 22 1HD ARG 22 -7.819 9.804 -14.142 317 HD3 ARG 22 2HD ARG 22 -6.627 11.099 -14.036 318 HE ARG 22 HE ARG 22 -8.851 12.095 -15.439 319 HH11 ARG 22 1HH1 ARG 22 -8.098 11.019 -12.146 320 HH12 ARG 22 2HH1 ARG 22 -9.307 12.057 -11.437 321 HH21 ARG 22 1HH2 ARG 22 -10.341 13.416 -14.467 322 HH22 ARG 22 2HH2 ARG 22 -10.542 13.421 -12.742 323 H GLY 23 H GLY 23 -3.144 11.214 -18.044 324 HA2 GLY 23 1HA GLY 23 -1.803 12.778 -19.378 325 HA3 GLY 23 2HA GLY 23 -2.738 14.108 -18.696 326 H GLY 24 H GLY 24 -1.825 11.700 -16.403 327 HA2 GLY 24 1HA GLY 24 0.315 13.510 -15.375 328 HA3 GLY 24 2HA GLY 24 -0.577 12.288 -14.454 329 H PHE 25 H PHE 25 0.575 10.631 -13.925 330 HA PHE 25 HA PHE 25 1.721 8.701 -14.100 331 HB2 PHE 25 1HB PHE 25 0.695 8.988 -16.580 332 HB3 PHE 25 2HB PHE 25 2.409 8.895 -16.988 333 HD1 PHE 25 HD2 PHE 25 0.166 7.197 -14.458 334 HD2 PHE 25 HD1 PHE 25 2.976 6.745 -17.691 335 HE1 PHE 25 HE2 PHE 25 0.030 4.758 -14.230 336 HE2 PHE 25 HE1 PHE 25 2.832 4.268 -17.484 337 HZ PHE 25 HZ PHE 25 1.372 3.257 -15.732 338 H TYR 26 H TYR 26 3.769 7.603 -14.656 339 HA TYR 26 HA TYR 26 6.052 9.520 -14.675 340 HB2 TYR 26 1HB TYR 26 7.015 8.290 -12.780 341 HB3 TYR 26 2HB TYR 26 5.440 8.959 -12.354 342 HD1 TYR 26 HD2 TYR 26 7.324 5.863 -13.136 343 HD2 TYR 26 HD1 TYR 26 3.583 7.472 -11.789 344 HE1 TYR 26 HE2 TYR 26 6.585 3.575 -12.418 345 HE2 TYR 26 HE1 TYR 26 2.855 5.200 -11.096 346 HH TYR 26 HH TYR 26 4.961 2.345 -11.395 347 H NVA 27 H ARX 27 4.651 6.785 -15.973 348 HA NVA 27 HA ARX 27 5.374 4.792 -16.903 349 HB2 NVA 27 1HB ARX 27 5.240 6.875 -18.545 350 HB3 NVA 27 2HB ARX 27 6.938 6.575 -18.748 351 HG2 NVA 27 1HG ARX 27 5.980 3.975 -19.064 352 HG3 NVA 27 2HG ARX 27 4.566 4.886 -19.549 353 HD2 NVA 27 1HD ARX 27 5.755 4.514 -21.573 354 HD3 NVA 27 2HD ARX 27 6.135 6.193 -21.153 355 HA PRO 28 HA PRO 28 9.585 3.782 -15.347 356 HB2 PRO 28 1HB PRO 28 9.150 1.216 -14.592 357 HB3 PRO 28 2HB PRO 28 8.545 2.596 -13.638 358 HG2 PRO 28 1HG PRO 28 7.097 0.890 -15.655 359 HG3 PRO 28 2HG PRO 28 6.562 1.369 -14.023 360 HD2 PRO 28 1HD PRO 28 5.780 2.636 -16.337 361 HD3 PRO 28 2HD PRO 28 5.899 3.461 -14.762 362 H HIX 29 H HIX 29 10.227 4.088 -17.580 363 HA HIX 29 HA HIX 29 10.056 2.005 -19.562 364 HB1 HIX 29 1HB HIX 29 11.535 4.654 -19.425 365 HB2 HIX 29 2HB HIX 29 11.778 3.529 -20.756 366 HD2 HIX 29 HD2 HIX 29 8.213 4.365 -18.967 367 HD1 HIX 29 HD1 HIX 29 10.228 4.612 -22.684 368 H THR 30 H THR 30 10.791 0.138 -18.998 369 HA THR 30 HA THR 30 13.698 -0.290 -19.007 370 HB THR 30 HB THR 30 12.646 -2.118 -17.028 371 HG1 THR 30 HG1 THR 30 11.269 0.016 -16.892 372 HG21 THR 30 1HG2 THR 30 14.444 -1.000 -15.630 373 HG22 THR 30 2HG2 THR 30 14.600 0.237 -16.857 374 HG23 THR 30 3HG2 THR 30 15.061 -1.439 -17.223 375 HXT THR 30 H02 THR 30 13.590 -1.191 -20.658 Start of MODEL 28 1 H1 GLY 1 2H0 GLY 1 2.678 -0.899 0.862 2 H2 GLY 1 1H0 GLY 1 2.742 0.572 1.612 3 HA2 GLY 1 1HA GLY 1 1.551 1.629 -0.205 4 HA3 GLY 1 2HA GLY 1 3.027 0.895 -0.800 5 H ILE 2 H ILE 2 2.028 1.169 -2.858 6 HA ILE 2 HA ILE 2 -0.292 -0.045 -3.757 7 HB ILE 2 HB ILE 2 1.017 1.585 -5.041 8 HG12 ILE 2 1HG1 ILE 2 0.850 0.474 -7.302 9 HG13 ILE 2 2HG1 ILE 2 0.434 -1.025 -6.426 10 HG21 ILE 2 1HG2 ILE 2 3.321 0.640 -4.544 11 HG22 ILE 2 2HG2 ILE 2 2.992 -0.665 -5.754 12 HG23 ILE 2 3HG2 ILE 2 3.041 1.031 -6.240 13 HD11 ILE 2 3HD1 ILE 2 -1.588 0.019 -7.224 14 HD12 ILE 2 1HD1 ILE 2 -1.539 0.140 -5.466 15 HD13 ILE 2 2HD1 ILE 2 -1.132 1.562 -6.478 16 H VAL 3 H VAL 3 2.887 -1.639 -3.379 17 HA VAL 3 HA VAL 3 2.041 -3.977 -4.844 18 HB VAL 3 HB VAL 3 4.276 -3.673 -2.787 19 HG11 VAL 3 1HG1 VAL 3 3.775 -5.831 -4.886 20 HG12 VAL 3 2HG1 VAL 3 5.266 -5.692 -3.908 21 HG13 VAL 3 3HG1 VAL 3 3.715 -6.053 -3.119 22 HG21 VAL 3 3HG2 VAL 3 5.742 -3.497 -4.851 23 HG22 VAL 3 1HG2 VAL 3 4.232 -3.373 -5.833 24 HG23 VAL 3 2HG2 VAL 3 4.660 -2.132 -4.640 25 H GLU 4 H GLU 4 2.136 -3.152 -1.375 26 HA GLU 4 HA GLU 4 1.208 -5.735 -0.431 27 HB2 GLU 4 1HB GLU 4 1.221 -2.980 0.829 28 HB3 GLU 4 2HB GLU 4 0.727 -4.454 1.673 29 HG2 GLU 4 1HG GLU 4 3.008 -3.990 2.325 30 HG3 GLU 4 2HG GLU 4 3.045 -5.397 1.235 31 HE2 GLU 4 HE2 GLU 4 4.841 -5.226 0.519 32 H GLN 5 H GLN 5 -0.316 -2.851 -1.670 33 HA GLN 5 HA GLN 5 -2.957 -3.598 -0.657 34 HB2 GLN 5 1HB GLN 5 -2.075 -1.209 -0.932 35 HB3 GLN 5 2HB GLN 5 -2.399 -1.396 -2.684 36 HG2 GLN 5 1HG GLN 5 -4.229 -0.256 -1.457 37 HG3 GLN 5 2HG GLN 5 -4.739 -1.770 -2.230 38 HE21 GLN 5 2HE2 GLN 5 -6.087 -2.992 -1.044 39 HE22 GLN 5 1HE2 GLN 5 -6.058 -3.060 0.719 40 H CYS 6 H CYS 6 -1.290 -3.732 -3.789 41 HA CYS 6 HA CYS 6 -3.808 -4.940 -4.902 42 HB2 CYS 6 1HB CYS 6 -1.358 -3.709 -6.223 43 HB3 CYS 6 2HB CYS 6 -2.711 -4.491 -7.097 44 H CYS 7 H CYS 7 -0.321 -5.725 -4.557 45 HA CYS 7 HA CYS 7 -0.659 -8.117 -6.255 46 HB2 CYS 7 1HB CYS 7 1.503 -6.645 -5.953 47 HB3 CYS 7 2HB CYS 7 1.689 -7.511 -4.410 48 H THR 8 H THR 8 -0.802 -7.209 -2.890 49 HA THR 8 HA THR 8 -1.026 -10.067 -2.071 50 HB THR 8 HB THR 8 -0.868 -7.525 -0.349 51 HG1 THR 8 HG1 THR 8 1.244 -9.353 -0.677 52 HG21 THR 8 1HG2 THR 8 -0.498 -10.463 0.408 53 HG22 THR 8 2HG2 THR 8 -1.864 -9.425 0.819 54 HG23 THR 8 3HG2 THR 8 -0.235 -9.072 1.492 55 H SER 9 H SER 9 -2.789 -6.922 -1.711 56 HA SER 9 HA SER 9 -5.183 -8.526 -0.916 57 HB2 SER 9 1HB SER 9 -4.647 -5.566 -0.650 58 HB3 SER 9 2HB SER 9 -6.029 -6.430 0.029 59 HG SER 9 HG SER 9 -3.287 -6.572 0.785 60 H ILE 10 H ILE 10 -7.237 -7.076 -1.449 61 HA ILE 10 HA ILE 10 -7.377 -6.797 -4.392 62 HB ILE 10 HB ILE 10 -9.529 -6.483 -2.225 63 HG12 ILE 10 1HG1 ILE 10 -8.752 -8.805 -2.479 64 HG13 ILE 10 2HG1 ILE 10 -10.455 -8.583 -2.922 65 HG21 ILE 10 1HG2 ILE 10 -11.144 -6.642 -4.227 66 HG22 ILE 10 2HG2 ILE 10 -10.235 -5.142 -4.058 67 HG23 ILE 10 3HG2 ILE 10 -9.698 -6.322 -5.275 68 HD11 ILE 10 3HD1 ILE 10 -9.892 -8.718 -5.295 69 HD12 ILE 10 1HD1 ILE 10 -8.158 -8.795 -4.923 70 HD13 ILE 10 2HD1 ILE 10 -9.229 -10.124 -4.459 71 H CYS 11 H CYS 11 -7.482 -4.792 -5.372 72 HA CYS 11 HA CYS 11 -7.887 -2.430 -3.611 73 HB2 CYS 11 1HB CYS 11 -6.089 -1.230 -4.791 74 HB3 CYS 11 2HB CYS 11 -5.450 -2.662 -3.921 75 H SER 12 H SER 12 -8.720 -0.614 -4.781 76 HA SER 12 HA SER 12 -10.039 -1.377 -7.350 77 HB2 SER 12 1HB SER 12 -11.144 0.377 -5.086 78 HB3 SER 12 2HB SER 12 -11.979 -0.059 -6.590 79 HG SER 12 HG SER 12 -12.506 -1.312 -4.639 80 H LEU 13 H LEU 13 -10.814 0.734 -8.478 81 HA LEU 13 HA LEU 13 -8.553 2.180 -9.306 82 HB2 LEU 13 1HB LEU 13 -10.167 3.725 -10.346 83 HB3 LEU 13 2HB LEU 13 -10.527 2.050 -10.695 84 HG LEU 13 HG LEU 13 -12.092 3.225 -8.463 85 HD11 LEU 13 1HD1 LEU 13 -13.606 4.392 -10.016 86 HD12 LEU 13 2HD1 LEU 13 -12.492 4.041 -11.356 87 HD13 LEU 13 3HD1 LEU 13 -11.996 5.111 -10.001 88 HD21 LEU 13 3HD2 LEU 13 -12.899 1.620 -10.951 89 HD22 LEU 13 1HD2 LEU 13 -13.903 1.903 -9.497 90 HD23 LEU 13 2HD2 LEU 13 -12.443 0.876 -9.417 91 H TYR 14 H TYR 14 -10.903 2.847 -6.734 92 HA TYR 14 HA TYR 14 -10.239 5.563 -6.211 93 HB2 TYR 14 1HB TYR 14 -12.156 4.098 -5.325 94 HB3 TYR 14 2HB TYR 14 -11.013 3.569 -4.088 95 HD1 TYR 14 HD1 TYR 14 -9.808 5.465 -2.724 96 HD2 TYR 14 HD2 TYR 14 -13.390 6.060 -5.005 97 HE1 TYR 14 HE1 TYR 14 -10.309 7.515 -1.385 98 HE2 TYR 14 HE2 TYR 14 -13.891 8.096 -3.667 99 HH TYR 14 HH TYR 14 -11.658 9.353 -1.163 100 H GLN 15 H GLN 15 -8.907 2.571 -4.714 101 HA GLN 15 HA GLN 15 -7.063 4.025 -3.072 102 HB2 GLN 15 1HB GLN 15 -7.056 1.135 -4.023 103 HB3 GLN 15 2HB GLN 15 -5.824 1.813 -2.978 104 HG2 GLN 15 1HG GLN 15 -7.273 0.800 -1.489 105 HG3 GLN 15 2HG GLN 15 -7.671 2.490 -1.355 106 HE21 GLN 15 2HE2 GLN 15 -9.662 1.771 -0.415 107 HE22 GLN 15 1HE2 GLN 15 -10.970 1.247 -1.454 108 H LEU 16 H LEU 16 -6.855 2.516 -6.303 109 HA LEU 16 HA LEU 16 -4.105 2.834 -6.699 110 HB2 LEU 16 1HB LEU 16 -6.467 2.431 -8.364 111 HB3 LEU 16 2HB LEU 16 -5.178 3.294 -9.175 112 HG LEU 16 HG LEU 16 -3.603 1.449 -8.386 113 HD11 LEU 16 1HD1 LEU 16 -4.998 0.280 -6.777 114 HD12 LEU 16 2HD1 LEU 16 -4.786 -0.793 -8.149 115 HD13 LEU 16 3HD1 LEU 16 -6.314 0.067 -7.939 116 HD21 LEU 16 3HD2 LEU 16 -4.276 -0.039 -10.258 117 HD22 LEU 16 1HD2 LEU 16 -4.259 1.666 -10.709 118 HD23 LEU 16 2HD2 LEU 16 -5.790 0.860 -10.390 119 H GLU 17 H GLU 17 -6.710 5.258 -7.237 120 HA GLU 17 HA GLU 17 -5.005 7.127 -8.528 121 HB2 GLU 17 1HB GLU 17 -7.492 7.509 -6.849 122 HB3 GLU 17 2HB GLU 17 -6.625 8.851 -7.620 123 HG2 GLU 17 1HG GLU 17 -6.861 7.533 -9.810 124 HG3 GLU 17 2HG GLU 17 -8.109 6.588 -8.960 125 HE2 GLU 17 HE2 GLU 17 -9.241 9.711 -10.628 126 H ASN 18 H ASN 18 -5.142 6.277 -5.084 127 HA ASN 18 HA ASN 18 -3.839 8.704 -4.062 128 HB2 ASN 18 1HB ASN 18 -3.777 5.858 -3.004 129 HB3 ASN 18 2HB ASN 18 -3.169 7.277 -2.142 130 HD21 ASN 18 2HD2 ASN 18 -5.334 5.335 -1.570 131 HD22 ASN 18 1HD2 ASN 18 -6.789 6.307 -1.295 132 H TYR 19 H TYR 19 -2.732 6.036 -6.022 133 HA TYR 19 HA TYR 19 0.117 6.609 -5.396 134 HB2 TYR 19 1HB TYR 19 -1.210 4.375 -6.976 135 HB3 TYR 19 2HB TYR 19 0.496 4.493 -6.500 136 HD1 TYR 19 HD2 TYR 19 1.017 4.574 -3.936 137 HD2 TYR 19 HD1 TYR 19 -2.720 3.328 -5.602 138 HE1 TYR 19 HE2 TYR 19 0.483 3.342 -1.830 139 HE2 TYR 19 HE1 TYR 19 -3.284 2.113 -3.537 140 HH TYR 19 HH TYR 19 -2.487 1.553 -1.385 141 H CYS 20 H CYS 20 -1.999 8.148 -7.193 142 HA CYS 20 HA CYS 20 -1.166 7.766 -9.912 143 HB2 CYS 20 1HB CYS 20 -3.147 9.138 -8.973 144 HB3 CYS 20 2HB CYS 20 -1.957 10.413 -8.659 145 H ASN 21 H ASN 21 0.096 9.549 -7.227 146 HA ASN 21 HA ASN 21 2.102 10.512 -6.664 147 HB2 ASN 21 1HB ASN 21 2.814 8.199 -7.675 148 HB3 ASN 21 2HB ASN 21 3.521 9.175 -8.994 149 HD21 ASN 21 2HD2 ASN 21 5.515 10.200 -8.588 150 HD22 ASN 21 1HD2 ASN 21 6.189 10.310 -6.975 151 HXT ASN 21 H02 ASN 21 1.882 10.627 -9.983 152 H1 PHE 1 2H0 PHE 1 -12.348 -0.090 -16.199 153 H2 PHE 1 1H0 PHE 1 -13.247 -1.435 -15.990 154 HA PHE 1 HA PHE 1 -11.211 -1.593 -14.639 155 HB2 PHE 1 1HB PHE 1 -11.179 1.030 -14.430 156 HB3 PHE 1 2HB PHE 1 -12.296 0.759 -13.072 157 HD1 PHE 1 HD1 PHE 1 -11.517 -1.042 -11.241 158 HD2 PHE 1 HD2 PHE 1 -8.866 1.104 -13.908 159 HE1 PHE 1 HE1 PHE 1 -9.596 -1.521 -9.749 160 HE2 PHE 1 HE2 PHE 1 -6.965 0.622 -12.367 161 HZ PHE 1 HZ PHE 1 -7.353 -0.687 -10.322 162 H VAL 2 H VAL 2 -11.224 -3.164 -13.292 163 HA VAL 2 HA VAL 2 -13.505 -3.359 -11.410 164 HB VAL 2 HB VAL 2 -13.928 -4.844 -13.362 165 HG11 VAL 2 1HG1 VAL 2 -11.524 -5.380 -13.914 166 HG12 VAL 2 2HG1 VAL 2 -11.466 -6.446 -12.489 167 HG13 VAL 2 3HG1 VAL 2 -12.570 -6.818 -13.840 168 HG21 VAL 2 3HG2 VAL 2 -14.486 -6.859 -12.095 169 HG22 VAL 2 1HG2 VAL 2 -13.350 -6.401 -10.806 170 HG23 VAL 2 2HG2 VAL 2 -14.811 -5.416 -11.120 171 H ASN 3 H ASN 3 -13.038 -4.227 -9.450 172 HA ASN 3 HA ASN 3 -10.280 -3.911 -8.644 173 HB2 ASN 3 1HB ASN 3 -11.226 -4.211 -6.376 174 HB3 ASN 3 2HB ASN 3 -12.062 -2.976 -7.338 175 HD21 ASN 3 2HD2 ASN 3 -12.478 -5.716 -5.473 176 HD22 ASN 3 1HD2 ASN 3 -14.143 -6.009 -5.876 177 H GLN 4 H GLN 4 -8.809 -5.452 -8.284 178 HA GLN 4 HA GLN 4 -9.475 -8.260 -7.665 179 HB2 GLN 4 1HB GLN 4 -8.529 -9.148 -9.787 180 HB3 GLN 4 2HB GLN 4 -9.959 -8.145 -10.112 181 HG2 GLN 4 1HG GLN 4 -8.392 -6.219 -10.627 182 HG3 GLN 4 2HG GLN 4 -7.060 -7.416 -10.503 183 HE21 GLN 4 2HE2 GLN 4 -8.932 -5.777 -12.595 184 HE22 GLN 4 1HE2 GLN 4 -8.883 -6.890 -13.965 185 H HIS 5 H HIS 5 -7.201 -9.470 -7.893 186 HA HIS 5 HA HIS 5 -5.137 -7.773 -6.626 187 HB2 HIS 5 1HB HIS 5 -5.106 -10.667 -7.595 188 HB3 HIS 5 2HB HIS 5 -3.781 -9.835 -6.762 189 HD1 HIS 5 HD1 HIS 5 -4.213 -9.137 -4.219 190 HD2 HIS 5 HD2 HIS 5 -7.087 -11.665 -5.934 191 HE1 HIS 5 HE1 HIS 5 -5.524 -10.163 -2.300 192 HE2 HIS 5 HE2 HIS 5 -7.237 -11.687 -3.335 193 H LEU 6 H LEU 6 -3.382 -6.935 -7.668 194 HA LEU 6 HA LEU 6 -2.981 -7.543 -10.571 195 HB2 LEU 6 1HB LEU 6 -3.319 -4.805 -9.334 196 HB3 LEU 6 2HB LEU 6 -2.579 -5.067 -10.897 197 HG LEU 6 HG LEU 6 -5.307 -6.226 -10.468 198 HD11 LEU 6 1HD1 LEU 6 -5.619 -4.095 -9.443 199 HD12 LEU 6 2HD1 LEU 6 -6.333 -4.019 -11.076 200 HD13 LEU 6 3HD1 LEU 6 -4.751 -3.263 -10.746 201 HD21 LEU 6 3HD2 LEU 6 -5.535 -5.495 -12.828 202 HD22 LEU 6 1HD2 LEU 6 -4.128 -6.564 -12.561 203 HD23 LEU 6 2HD2 LEU 6 -3.902 -4.819 -12.770 204 H CYS 7 H CYS 7 -0.800 -7.537 -11.131 205 HA CYS 7 HA CYS 7 1.079 -6.294 -9.258 206 HB2 CYS 7 1HB CYS 7 0.509 -8.800 -8.589 207 HB3 CYS 7 2HB CYS 7 1.624 -9.195 -9.928 208 H GLY 8 H GLY 8 3.391 -6.529 -10.152 209 HA2 GLY 8 1HA GLY 8 4.800 -6.140 -11.923 210 HA3 GLY 8 2HA GLY 8 3.939 -7.421 -12.736 211 H SER 9 H SER 9 4.000 -6.726 -14.759 212 HA SER 9 HA SER 9 3.509 -4.033 -15.570 213 HB2 SER 9 1HB SER 9 2.886 -6.577 -17.151 214 HB3 SER 9 2HB SER 9 3.379 -4.966 -17.791 215 HG SER 9 HG SER 9 5.197 -6.231 -17.745 216 H HIS 10 H HIS 10 1.237 -6.650 -14.772 217 HA HIS 10 HA HIS 10 -0.996 -5.361 -16.065 218 HB2 HIS 10 1HB HIS 10 -0.646 -7.796 -14.968 219 HB3 HIS 10 2HB HIS 10 -1.544 -7.014 -13.627 220 HD1 HIS 10 HD1 HIS 10 -3.112 -9.229 -15.084 221 HD2 HIS 10 HD2 HIS 10 -2.983 -5.269 -16.442 222 HE1 HIS 10 HE1 HIS 10 -5.137 -8.925 -16.613 223 HE2 HIS 10 HE2 HIS 10 -5.064 -6.523 -17.410 224 H LEU 11 H LEU 11 0.549 -5.100 -12.814 225 HA LEU 11 HA LEU 11 -1.482 -3.380 -11.678 226 HB2 LEU 11 1HB LEU 11 0.894 -4.501 -10.787 227 HB3 LEU 11 2HB LEU 11 1.350 -2.838 -10.911 228 HG LEU 11 HG LEU 11 -0.840 -4.063 -9.206 229 HD11 LEU 11 1HD1 LEU 11 1.485 -4.359 -8.421 230 HD12 LEU 11 2HD1 LEU 11 0.621 -3.272 -7.336 231 HD13 LEU 11 3HD1 LEU 11 1.782 -2.629 -8.536 232 HD21 LEU 11 3HD2 LEU 11 -0.087 -1.133 -9.459 233 HD22 LEU 11 1HD2 LEU 11 -1.214 -1.794 -8.257 234 HD23 LEU 11 2HD2 LEU 11 -1.640 -1.856 -9.943 235 H VAL 12 H VAL 12 1.571 -2.814 -13.506 236 HA VAL 12 HA VAL 12 1.402 0.035 -13.444 237 HB VAL 12 HB VAL 12 2.616 -1.710 -15.627 238 HG11 VAL 12 1HG1 VAL 12 3.038 1.249 -14.890 239 HG12 VAL 12 2HG1 VAL 12 3.973 0.328 -16.110 240 HG13 VAL 12 3HG1 VAL 12 2.260 0.638 -16.401 241 HG21 VAL 12 3HG2 VAL 12 4.747 -1.220 -14.377 242 HG22 VAL 12 1HG2 VAL 12 3.783 -0.444 -13.090 243 HG23 VAL 12 2HG2 VAL 12 3.618 -2.175 -13.453 244 H GLU 13 H GLU 13 0.029 -2.314 -15.784 245 HA GLU 13 HA GLU 13 -1.143 -0.435 -17.541 246 HB2 GLU 13 1HB GLU 13 -1.826 -3.266 -16.734 247 HB3 GLU 13 2HB GLU 13 -2.927 -2.324 -17.764 248 HG2 GLU 13 1HG GLU 13 -1.126 -1.964 -19.377 249 HG3 GLU 13 2HG GLU 13 -0.032 -2.927 -18.350 250 HE2 GLU 13 HE2 GLU 13 -1.278 -5.885 -19.307 251 H ALA 14 H ALA 14 -2.471 -1.869 -14.513 252 HA ALA 14 HA ALA 14 -5.028 -0.659 -14.834 253 HB1 ALA 14 3HB ALA 14 -4.583 -2.523 -13.325 254 HB2 ALA 14 1HB ALA 14 -3.610 -1.482 -12.287 255 HB3 ALA 14 2HB ALA 14 -5.357 -1.153 -12.486 256 H LEU 15 H LEU 15 -2.115 0.457 -13.103 257 HA LEU 15 HA LEU 15 -3.245 2.851 -12.115 258 HB2 LEU 15 1HB LEU 15 -0.691 1.545 -12.292 259 HB3 LEU 15 2HB LEU 15 -0.515 3.294 -12.601 260 HG LEU 15 HG LEU 15 -1.961 2.285 -10.167 261 HD11 LEU 15 1HD1 LEU 15 0.942 3.018 -10.591 262 HD12 LEU 15 2HD1 LEU 15 0.279 1.451 -10.081 263 HD13 LEU 15 3HD1 LEU 15 0.183 2.887 -9.001 264 HD21 LEU 15 3HD2 LEU 15 -2.418 4.642 -10.904 265 HD22 LEU 15 1HD2 LEU 15 -0.689 4.961 -10.859 266 HD23 LEU 15 2HD2 LEU 15 -1.587 4.548 -9.355 267 H TYR 16 H TYR 16 -1.676 2.106 -15.205 268 HA TYR 16 HA TYR 16 -1.663 4.774 -16.205 269 HB2 TYR 16 1HB TYR 16 -0.423 2.998 -17.307 270 HB3 TYR 16 2HB TYR 16 -1.924 2.097 -17.624 271 HD1 TYR 16 HD1 TYR 16 -0.037 5.212 -18.465 272 HD2 TYR 16 HD2 TYR 16 -3.273 2.568 -19.543 273 HE1 TYR 16 HE1 TYR 16 -0.288 6.407 -20.686 274 HE2 TYR 16 HE2 TYR 16 -3.507 3.710 -21.720 275 HH TYR 16 HH TYR 16 -1.497 6.481 -22.688 276 H LEU 17 H LEU 17 -4.145 2.124 -16.405 277 HA LEU 17 HA LEU 17 -5.836 3.600 -18.151 278 HB2 LEU 17 1HB LEU 17 -6.399 1.295 -16.278 279 HB3 LEU 17 2HB LEU 17 -7.577 1.929 -17.443 280 HG LEU 17 HG LEU 17 -4.881 0.844 -18.227 281 HD11 LEU 17 1HD1 LEU 17 -7.501 -0.653 -18.273 282 HD12 LEU 17 2HD1 LEU 17 -6.183 -0.903 -17.123 283 HD13 LEU 17 3HD1 LEU 17 -5.927 -1.236 -18.826 284 HD21 LEU 17 3HD2 LEU 17 -7.394 1.428 -19.822 285 HD22 LEU 17 1HD2 LEU 17 -5.946 0.575 -20.457 286 HD23 LEU 17 2HD2 LEU 17 -5.837 2.250 -19.937 287 H VAL 18 H VAL 18 -5.699 3.357 -14.629 288 HA VAL 18 HA VAL 18 -8.079 5.034 -14.410 289 HB VAL 18 HB VAL 18 -7.674 3.277 -12.763 290 HG11 VAL 18 1HG1 VAL 18 -5.181 3.591 -12.625 291 HG12 VAL 18 2HG1 VAL 18 -5.449 5.056 -11.633 292 HG13 VAL 18 3HG1 VAL 18 -5.974 3.455 -11.078 293 HG21 VAL 18 3HG2 VAL 18 -7.662 6.067 -11.544 294 HG22 VAL 18 1HG2 VAL 18 -9.079 5.201 -12.111 295 HG23 VAL 18 2HG2 VAL 18 -8.138 4.589 -10.708 296 H CYS 19 H CYS 19 -4.587 5.684 -14.162 297 HA CYS 19 HA CYS 19 -5.351 8.561 -13.744 298 HB2 CYS 19 1HB CYS 19 -4.010 7.007 -11.893 299 HB3 CYS 19 2HB CYS 19 -2.702 7.884 -12.708 300 H GLY 20 H GLY 20 -3.094 6.395 -15.404 301 HA2 GLY 20 1HA GLY 20 -1.420 8.486 -16.477 302 HA3 GLY 20 2HA GLY 20 -1.634 6.852 -17.165 303 H GLU 21 H GLU 21 -4.578 7.195 -17.338 304 HA GLU 21 HA GLU 21 -4.662 8.849 -19.800 305 HB2 GLU 21 1HB GLU 21 -6.677 6.911 -18.609 306 HB3 GLU 21 2HB GLU 21 -6.910 7.796 -20.143 307 HG2 GLU 21 1HG GLU 21 -4.722 6.693 -20.901 308 HG3 GLU 21 2HG GLU 21 -4.855 5.651 -19.483 309 HE2 GLU 21 HE2 GLU 21 -5.665 6.167 -22.484 310 H ARG 22 H ARG 22 -4.634 9.964 -16.902 311 HA ARG 22 HA ARG 22 -6.998 11.737 -17.294 312 HB2 ARG 22 1HB ARG 22 -5.748 10.716 -14.723 313 HB3 ARG 22 2HB ARG 22 -6.862 12.094 -14.798 314 HG2 ARG 22 1HG ARG 22 -7.558 9.298 -15.690 315 HG3 ARG 22 2HG ARG 22 -7.901 9.974 -14.069 316 HD2 ARG 22 1HD ARG 22 -9.865 10.572 -14.965 317 HD3 ARG 22 2HD ARG 22 -8.923 11.947 -15.584 318 HE ARG 22 HE ARG 22 -8.644 9.919 -17.478 319 HH11 ARG 22 1HH1 ARG 22 -11.321 11.877 -16.254 320 HH12 ARG 22 2HH1 ARG 22 -12.269 11.662 -17.689 321 HH21 ARG 22 1HH2 ARG 22 -9.928 9.616 -19.243 322 HH22 ARG 22 2HH2 ARG 22 -11.477 10.389 -19.370 323 H GLY 23 H GLY 23 -3.917 11.534 -15.481 324 HA2 GLY 23 1HA GLY 23 -2.429 13.404 -16.753 325 HA3 GLY 23 2HA GLY 23 -3.502 14.401 -15.785 326 H GLY 24 H GLY 24 -0.991 11.925 -15.738 327 HA2 GLY 24 1HA GLY 24 0.645 12.671 -13.807 328 HA3 GLY 24 2HA GLY 24 -0.740 12.160 -12.787 329 H PHE 25 H PHE 25 2.138 11.152 -14.207 330 HA PHE 25 HA PHE 25 1.598 8.379 -13.449 331 HB2 PHE 25 1HB PHE 25 0.813 8.810 -15.893 332 HB3 PHE 25 2HB PHE 25 2.527 8.841 -16.274 333 HD1 PHE 25 HD1 PHE 25 0.293 6.731 -14.034 334 HD2 PHE 25 HD2 PHE 25 3.272 6.802 -17.167 335 HE1 PHE 25 HE1 PHE 25 0.320 4.267 -14.066 336 HE2 PHE 25 HE2 PHE 25 3.281 4.267 -17.181 337 HZ PHE 25 HZ PHE 25 1.775 3.024 -15.672 338 H TYR 26 H TYR 26 3.710 7.155 -13.606 339 HA TYR 26 HA TYR 26 6.007 9.042 -13.313 340 HB2 TYR 26 1HB TYR 26 6.755 7.540 -11.523 341 HB3 TYR 26 2HB TYR 26 5.164 8.176 -11.186 342 HD1 TYR 26 HD1 TYR 26 3.117 6.733 -11.440 343 HD2 TYR 26 HD2 TYR 26 7.074 5.127 -11.903 344 HE1 TYR 26 HE1 TYR 26 2.218 4.427 -11.288 345 HE2 TYR 26 HE2 TYR 26 6.160 2.829 -11.714 346 HH TYR 26 HH TYR 26 4.343 1.554 -11.431 347 H NVA 27 H ARX 27 4.835 6.674 -15.178 348 HA NVA 27 HA ARX 27 5.536 4.776 -16.246 349 HB2 NVA 27 1HB ARX 27 5.646 6.960 -17.587 350 HB3 NVA 27 2HB ARX 27 7.412 6.692 -17.600 351 HG2 NVA 27 1HG ARX 27 6.517 4.180 -18.414 352 HG3 NVA 27 2HG ARX 27 5.206 5.192 -19.049 353 HD2 NVA 27 1HD ARX 27 6.710 5.160 -20.833 354 HD3 NVA 27 2HD ARX 27 7.057 6.697 -20.103 355 HA PRO 28 HA PRO 28 9.339 3.275 -14.266 356 HB2 PRO 28 1HB PRO 28 8.626 0.669 -13.917 357 HB3 PRO 28 2HB PRO 28 8.000 1.978 -12.864 358 HG2 PRO 28 1HG PRO 28 6.694 0.632 -15.250 359 HG3 PRO 28 2HG PRO 28 5.978 1.025 -13.685 360 HD2 PRO 28 1HD PRO 28 5.633 2.541 -15.894 361 HD3 PRO 28 2HD PRO 28 5.562 3.180 -14.231 362 H HIX 29 H HIX 29 10.349 3.752 -16.281 363 HA HIX 29 HA HIX 29 10.281 2.026 -18.544 364 HB1 HIX 29 1HB HIX 29 11.976 4.410 -17.773 365 HB2 HIX 29 2HB HIX 29 12.314 3.491 -19.230 366 HD2 HIX 29 HD2 HIX 29 8.602 4.189 -18.001 367 HD1 HIX 29 HD1 HIX 29 11.318 5.247 -21.078 368 H THR 30 H THR 30 11.578 0.680 -19.482 369 HA THR 30 HA THR 30 14.044 -0.372 -18.308 370 HB THR 30 HB THR 30 11.622 -2.256 -18.526 371 HG1 THR 30 HG1 THR 30 12.199 -0.496 -16.623 372 HG21 THR 30 1HG2 THR 30 13.103 -3.829 -17.323 373 HG22 THR 30 2HG2 THR 30 14.381 -2.639 -17.268 374 HG23 THR 30 3HG2 THR 30 13.867 -3.340 -18.827 375 HXT THR 30 H02 THR 30 14.970 -0.130 -19.895 Start of MODEL 29 1 H1 GLY 1 2H0 GLY 1 2.418 0.465 1.718 2 H2 GLY 1 1H0 GLY 1 0.992 -0.053 1.111 3 HA2 GLY 1 1HA GLY 1 2.329 1.318 -0.503 4 HA3 GLY 1 2HA GLY 1 3.514 -0.000 -0.454 5 H ILE 2 H ILE 2 2.835 0.564 -2.851 6 HA ILE 2 HA ILE 2 0.297 -0.241 -3.810 7 HB ILE 2 HB ILE 2 1.947 1.237 -5.024 8 HG12 ILE 2 1HG1 ILE 2 1.528 0.313 -7.318 9 HG13 ILE 2 2HG1 ILE 2 0.861 -1.130 -6.561 10 HG21 ILE 2 1HG2 ILE 2 4.005 -0.148 -4.624 11 HG22 ILE 2 2HG2 ILE 2 3.379 -1.370 -5.752 12 HG23 ILE 2 3HG2 ILE 2 3.775 0.259 -6.338 13 HD11 ILE 2 3HD1 ILE 2 -0.856 0.523 -7.271 14 HD12 ILE 2 1HD1 ILE 2 -0.928 0.070 -5.572 15 HD13 ILE 2 2HD1 ILE 2 -0.203 1.636 -6.047 16 H VAL 3 H VAL 3 3.229 -2.216 -3.268 17 HA VAL 3 HA VAL 3 2.195 -4.488 -4.723 18 HB VAL 3 HB VAL 3 4.385 -4.228 -2.573 19 HG11 VAL 3 1HG1 VAL 3 5.181 -6.447 -3.253 20 HG12 VAL 3 2HG1 VAL 3 3.507 -6.567 -2.676 21 HG13 VAL 3 3HG1 VAL 3 3.821 -6.592 -4.428 22 HG21 VAL 3 3HG2 VAL 3 4.551 -4.466 -5.600 23 HG22 VAL 3 1HG2 VAL 3 4.917 -3.012 -4.640 24 HG23 VAL 3 2HG2 VAL 3 5.943 -4.444 -4.497 25 H GLU 4 H GLU 4 2.352 -3.450 -1.325 26 HA GLU 4 HA GLU 4 1.221 -5.781 -0.166 27 HB2 GLU 4 1HB GLU 4 1.341 -2.877 0.692 28 HB3 GLU 4 2HB GLU 4 0.772 -4.181 1.736 29 HG2 GLU 4 1HG GLU 4 2.973 -3.905 2.474 30 HG3 GLU 4 2HG GLU 4 3.140 -5.263 1.351 31 HE2 GLU 4 HE2 GLU 4 5.162 -4.099 1.924 32 H GLN 5 H GLN 5 -0.222 -2.897 -1.626 33 HA GLN 5 HA GLN 5 -2.896 -3.592 -0.660 34 HB2 GLN 5 1HB GLN 5 -2.040 -1.275 -0.961 35 HB3 GLN 5 2HB GLN 5 -2.061 -1.542 -2.720 36 HG2 GLN 5 1HG GLN 5 -4.058 -0.345 -2.041 37 HG3 GLN 5 2HG GLN 5 -4.504 -1.945 -2.641 38 HE21 GLN 5 2HE2 GLN 5 -5.890 -3.073 -1.443 39 HE22 GLN 5 1HE2 GLN 5 -6.155 -2.818 0.269 40 H CYS 6 H CYS 6 -1.186 -3.781 -3.851 41 HA CYS 6 HA CYS 6 -3.696 -4.920 -4.985 42 HB2 CYS 6 1HB CYS 6 -1.176 -3.872 -6.257 43 HB3 CYS 6 2HB CYS 6 -2.492 -4.646 -7.159 44 H CYS 7 H CYS 7 -0.239 -5.874 -4.580 45 HA CYS 7 HA CYS 7 -0.786 -8.289 -6.154 46 HB2 CYS 7 1HB CYS 7 1.602 -7.613 -4.332 47 HB3 CYS 7 2HB CYS 7 1.522 -8.955 -5.478 48 H THR 8 H THR 8 -0.043 -7.512 -2.732 49 HA THR 8 HA THR 8 -0.664 -10.146 -1.775 50 HB THR 8 HB THR 8 -0.605 -7.515 -0.213 51 HG1 THR 8 HG1 THR 8 1.577 -9.281 -0.593 52 HG21 THR 8 1HG2 THR 8 0.215 -9.020 1.624 53 HG22 THR 8 2HG2 THR 8 -0.042 -10.437 0.594 54 HG23 THR 8 3HG2 THR 8 -1.433 -9.446 1.108 55 H SER 9 H SER 9 -2.518 -7.078 -1.797 56 HA SER 9 HA SER 9 -4.912 -8.611 -0.846 57 HB2 SER 9 1HB SER 9 -4.369 -5.652 -0.586 58 HB3 SER 9 2HB SER 9 -5.690 -6.570 0.140 59 HG SER 9 HG SER 9 -3.080 -6.313 0.941 60 H ILE 10 H ILE 10 -6.949 -7.022 -1.399 61 HA ILE 10 HA ILE 10 -7.094 -6.971 -4.386 62 HB ILE 10 HB ILE 10 -9.128 -6.512 -2.129 63 HG12 ILE 10 1HG1 ILE 10 -8.338 -8.847 -2.352 64 HG13 ILE 10 2HG1 ILE 10 -10.059 -8.651 -2.677 65 HG21 ILE 10 1HG2 ILE 10 -9.533 -6.553 -5.159 66 HG22 ILE 10 2HG2 ILE 10 -10.874 -6.697 -3.995 67 HG23 ILE 10 3HG2 ILE 10 -9.904 -5.206 -4.039 68 HD11 ILE 10 3HD1 ILE 10 -8.970 -10.245 -4.254 69 HD12 ILE 10 1HD1 ILE 10 -9.636 -8.844 -5.135 70 HD13 ILE 10 2HD1 ILE 10 -7.881 -8.959 -4.796 71 H CYS 11 H CYS 11 -7.224 -5.018 -5.522 72 HA CYS 11 HA CYS 11 -7.578 -2.579 -3.891 73 HB2 CYS 11 1HB CYS 11 -5.825 -1.420 -5.005 74 HB3 CYS 11 2HB CYS 11 -5.180 -2.890 -4.309 75 H SER 12 H SER 12 -8.386 -0.758 -4.929 76 HA SER 12 HA SER 12 -9.957 -1.416 -7.421 77 HB2 SER 12 1HB SER 12 -11.647 0.172 -6.523 78 HB3 SER 12 2HB SER 12 -11.372 -1.162 -5.375 79 HG SER 12 HG SER 12 -11.250 0.647 -4.174 80 H LEU 13 H LEU 13 -10.585 0.627 -8.660 81 HA LEU 13 HA LEU 13 -8.295 2.125 -9.352 82 HB2 LEU 13 1HB LEU 13 -9.702 3.354 -10.819 83 HB3 LEU 13 2HB LEU 13 -10.263 1.696 -10.766 84 HG LEU 13 HG LEU 13 -11.912 2.856 -8.935 85 HD11 LEU 13 1HD1 LEU 13 -11.493 4.868 -11.188 86 HD12 LEU 13 2HD1 LEU 13 -11.089 5.158 -9.494 87 HD13 LEU 13 3HD1 LEU 13 -12.787 4.933 -9.972 88 HD21 LEU 13 3HD2 LEU 13 -12.499 1.302 -10.702 89 HD22 LEU 13 1HD2 LEU 13 -12.252 2.553 -11.909 90 HD23 LEU 13 2HD2 LEU 13 -13.573 2.713 -10.748 91 H TYR 14 H TYR 14 -10.817 2.778 -7.006 92 HA TYR 14 HA TYR 14 -10.332 5.522 -6.629 93 HB2 TYR 14 1HB TYR 14 -12.271 4.196 -5.757 94 HB3 TYR 14 2HB TYR 14 -11.196 3.562 -4.500 95 HD1 TYR 14 HD2 TYR 14 -12.879 6.618 -5.811 96 HD2 TYR 14 HD1 TYR 14 -10.523 4.974 -2.583 97 HE1 TYR 14 HE2 TYR 14 -13.321 8.658 -4.435 98 HE2 TYR 14 HE1 TYR 14 -10.998 7.021 -1.222 99 HH TYR 14 HH TYR 14 -11.989 9.082 -1.179 100 H GLN 15 H GLN 15 -8.910 2.626 -5.115 101 HA GLN 15 HA GLN 15 -7.198 4.163 -3.349 102 HB2 GLN 15 1HB GLN 15 -6.973 1.306 -4.318 103 HB3 GLN 15 2HB GLN 15 -6.061 2.027 -2.986 104 HG2 GLN 15 1HG GLN 15 -8.147 2.470 -1.798 105 HG3 GLN 15 2HG GLN 15 -9.073 1.689 -3.105 106 HE21 GLN 15 2HE2 GLN 15 -7.922 1.206 -0.094 107 HE22 GLN 15 1HE2 GLN 15 -7.681 -0.527 -0.136 108 H LEU 16 H LEU 16 -6.808 2.581 -6.540 109 HA LEU 16 HA LEU 16 -4.055 3.037 -6.849 110 HB2 LEU 16 1HB LEU 16 -6.270 2.806 -8.797 111 HB3 LEU 16 2HB LEU 16 -4.644 3.124 -9.328 112 HG LEU 16 HG LEU 16 -5.795 0.619 -8.175 113 HD11 LEU 16 1HD1 LEU 16 -5.625 1.070 -10.614 114 HD12 LEU 16 2HD1 LEU 16 -4.692 -0.344 -10.069 115 HD13 LEU 16 3HD1 LEU 16 -3.856 1.205 -10.404 116 HD21 LEU 16 3HD2 LEU 16 -3.447 -0.272 -8.009 117 HD22 LEU 16 1HD2 LEU 16 -3.891 0.855 -6.719 118 HD23 LEU 16 2HD2 LEU 16 -2.857 1.381 -8.092 119 H GLU 17 H GLU 17 -6.721 5.301 -7.479 120 HA GLU 17 HA GLU 17 -5.125 7.327 -8.723 121 HB2 GLU 17 1HB GLU 17 -7.615 7.449 -6.973 122 HB3 GLU 17 2HB GLU 17 -6.843 8.905 -7.606 123 HG2 GLU 17 1HG GLU 17 -7.066 7.894 -9.892 124 HG3 GLU 17 2HG GLU 17 -8.034 6.620 -9.151 125 HE2 GLU 17 HE2 GLU 17 -10.442 9.139 -8.233 126 H ASN 18 H ASN 18 -5.346 6.464 -5.211 127 HA ASN 18 HA ASN 18 -4.127 8.974 -4.441 128 HB2 ASN 18 1HB ASN 18 -4.407 6.294 -3.019 129 HB3 ASN 18 2HB ASN 18 -3.718 7.754 -2.272 130 HD21 ASN 18 2HD2 ASN 18 -6.621 6.122 -3.123 131 HD22 ASN 18 1HD2 ASN 18 -7.725 7.324 -2.539 132 H TYR 19 H TYR 19 -2.885 6.036 -5.865 133 HA TYR 19 HA TYR 19 -0.141 6.547 -4.876 134 HB2 TYR 19 1HB TYR 19 -1.233 4.568 -6.911 135 HB3 TYR 19 2HB TYR 19 0.459 4.651 -6.360 136 HD1 TYR 19 HD1 TYR 19 1.024 4.075 -3.978 137 HD2 TYR 19 HD2 TYR 19 -2.877 3.565 -5.616 138 HE1 TYR 19 HE1 TYR 19 0.417 2.543 -2.099 139 HE2 TYR 19 HE2 TYR 19 -3.519 2.046 -3.788 140 HH TYR 19 HH TYR 19 -2.825 1.169 -1.708 141 H CYS 20 H CYS 20 -2.150 7.900 -7.126 142 HA CYS 20 HA CYS 20 -0.139 8.311 -9.258 143 HB2 CYS 20 1HB CYS 20 -2.688 8.055 -9.558 144 HB3 CYS 20 2HB CYS 20 -2.824 9.658 -8.806 145 H ASN 21 H ASN 21 -0.967 9.474 -6.179 146 HA ASN 21 HA ASN 21 0.252 12.124 -6.669 147 HB2 ASN 21 1HB ASN 21 -1.720 11.173 -4.592 148 HB3 ASN 21 2HB ASN 21 -0.607 12.466 -4.197 149 HD21 ASN 21 2HD2 ASN 21 -0.889 14.473 -5.036 150 HD22 ASN 21 1HD2 ASN 21 -2.155 14.883 -6.154 151 HXT ASN 21 H02 ASN 21 2.052 12.150 -6.266 152 H1 PHE 1 2H0 PHE 1 -12.026 -0.487 -16.059 153 H2 PHE 1 1H0 PHE 1 -12.941 -1.863 -15.906 154 HA PHE 1 HA PHE 1 -10.987 -2.006 -14.473 155 HB2 PHE 1 1HB PHE 1 -11.039 0.599 -14.318 156 HB3 PHE 1 2HB PHE 1 -12.191 0.369 -13.025 157 HD1 PHE 1 HD1 PHE 1 -11.323 -1.419 -11.111 158 HD2 PHE 1 HD2 PHE 1 -8.791 0.830 -13.777 159 HE1 PHE 1 HE1 PHE 1 -9.413 -1.692 -9.575 160 HE2 PHE 1 HE2 PHE 1 -6.924 0.596 -12.225 161 HZ PHE 1 HZ PHE 1 -7.215 -0.718 -10.113 162 H VAL 2 H VAL 2 -11.197 -3.655 -13.259 163 HA VAL 2 HA VAL 2 -13.516 -3.784 -11.350 164 HB VAL 2 HB VAL 2 -12.165 -6.122 -12.764 165 HG11 VAL 2 1HG1 VAL 2 -14.509 -6.001 -10.828 166 HG12 VAL 2 2HG1 VAL 2 -14.034 -7.449 -11.753 167 HG13 VAL 2 3HG1 VAL 2 -12.929 -6.771 -10.548 168 HG21 VAL 2 3HG2 VAL 2 -14.957 -4.905 -13.177 169 HG22 VAL 2 1HG2 VAL 2 -13.608 -4.883 -14.354 170 HG23 VAL 2 2HG2 VAL 2 -14.364 -6.423 -13.895 171 H ASN 3 H ASN 3 -12.964 -4.321 -9.254 172 HA ASN 3 HA ASN 3 -10.130 -4.047 -8.572 173 HB2 ASN 3 1HB ASN 3 -10.851 -4.107 -6.265 174 HB3 ASN 3 2HB ASN 3 -11.888 -3.012 -7.171 175 HD21 ASN 3 2HD2 ASN 3 -14.075 -3.622 -7.559 176 HD22 ASN 3 1HD2 ASN 3 -14.820 -4.889 -6.625 177 H GLN 4 H GLN 4 -8.725 -5.640 -8.081 178 HA GLN 4 HA GLN 4 -9.428 -8.385 -7.377 179 HB2 GLN 4 1HB GLN 4 -8.652 -9.430 -9.440 180 HB3 GLN 4 2HB GLN 4 -10.068 -8.414 -9.779 181 HG2 GLN 4 1HG GLN 4 -8.399 -6.585 -10.453 182 HG3 GLN 4 2HG GLN 4 -7.171 -7.854 -10.448 183 HE21 GLN 4 2HE2 GLN 4 -9.803 -6.425 -12.086 184 HE22 GLN 4 1HE2 GLN 4 -9.781 -7.497 -13.483 185 H HIS 5 H HIS 5 -7.149 -9.696 -7.760 186 HA HIS 5 HA HIS 5 -5.046 -8.036 -6.549 187 HB2 HIS 5 1HB HIS 5 -5.078 -10.925 -7.536 188 HB3 HIS 5 2HB HIS 5 -3.672 -10.129 -6.820 189 HD1 HIS 5 HD1 HIS 5 -3.849 -9.383 -4.236 190 HD2 HIS 5 HD2 HIS 5 -6.950 -11.823 -5.699 191 HE1 HIS 5 HE1 HIS 5 -5.101 -10.268 -2.198 192 HE2 HIS 5 HE2 HIS 5 -6.939 -11.794 -3.099 193 H LEU 6 H LEU 6 -3.321 -7.151 -7.612 194 HA LEU 6 HA LEU 6 -2.885 -7.819 -10.479 195 HB2 LEU 6 1HB LEU 6 -3.347 -5.075 -9.301 196 HB3 LEU 6 2HB LEU 6 -2.582 -5.310 -10.869 197 HG LEU 6 HG LEU 6 -5.335 -6.359 -10.261 198 HD11 LEU 6 1HD1 LEU 6 -4.548 -3.651 -11.330 199 HD12 LEU 6 2HD1 LEU 6 -5.406 -4.005 -9.829 200 HD13 LEU 6 3HD1 LEU 6 -6.197 -4.324 -11.367 201 HD21 LEU 6 3HD2 LEU 6 -3.876 -5.685 -12.831 202 HD22 LEU 6 1HD2 LEU 6 -5.597 -6.197 -12.721 203 HD23 LEU 6 2HD2 LEU 6 -4.311 -7.318 -12.223 204 H CYS 7 H CYS 7 -0.743 -7.577 -11.120 205 HA CYS 7 HA CYS 7 1.132 -6.338 -9.245 206 HB2 CYS 7 1HB CYS 7 0.625 -8.917 -8.662 207 HB3 CYS 7 2HB CYS 7 1.854 -9.152 -9.897 208 H GLY 8 H GLY 8 3.447 -6.547 -10.172 209 HA2 GLY 8 1HA GLY 8 4.829 -6.012 -11.929 210 HA3 GLY 8 2HA GLY 8 4.032 -7.327 -12.775 211 H SER 9 H SER 9 4.126 -6.452 -14.772 212 HA SER 9 HA SER 9 3.463 -3.835 -15.502 213 HB2 SER 9 1HB SER 9 2.912 -6.257 -17.252 214 HB3 SER 9 2HB SER 9 3.501 -4.644 -17.705 215 HG SER 9 HG SER 9 5.262 -6.102 -17.651 216 H HIS 10 H HIS 10 1.333 -6.541 -14.728 217 HA HIS 10 HA HIS 10 -1.036 -5.498 -15.995 218 HB2 HIS 10 1HB HIS 10 -0.311 -7.796 -14.698 219 HB3 HIS 10 2HB HIS 10 -1.376 -7.036 -13.510 220 HD1 HIS 10 HD1 HIS 10 -2.600 -9.525 -14.463 221 HD2 HIS 10 HD2 HIS 10 -2.873 -6.028 -16.767 222 HE1 HIS 10 HE1 HIS 10 -4.525 -9.846 -16.090 223 HE2 HIS 10 HE2 HIS 10 -4.688 -7.745 -17.469 224 H LEU 11 H LEU 11 0.469 -5.105 -12.819 225 HA LEU 11 HA LEU 11 -1.586 -3.437 -11.654 226 HB2 LEU 11 1HB LEU 11 0.743 -4.590 -10.762 227 HB3 LEU 11 2HB LEU 11 1.234 -2.927 -10.942 228 HG LEU 11 HG LEU 11 -1.009 -3.964 -9.169 229 HD11 LEU 11 1HD1 LEU 11 1.738 -2.728 -8.610 230 HD12 LEU 11 2HD1 LEU 11 1.272 -4.424 -8.347 231 HD13 LEU 11 3HD1 LEU 11 0.538 -3.163 -7.374 232 HD21 LEU 11 3HD2 LEU 11 -0.038 -1.105 -9.662 233 HD22 LEU 11 1HD2 LEU 11 -1.084 -1.586 -8.318 234 HD23 LEU 11 2HD2 LEU 11 -1.666 -1.751 -9.972 235 H VAL 12 H VAL 12 1.462 -2.755 -13.441 236 HA VAL 12 HA VAL 12 1.234 0.069 -13.371 237 HB VAL 12 HB VAL 12 2.507 -1.650 -15.537 238 HG11 VAL 12 1HG1 VAL 12 3.857 0.319 -16.108 239 HG12 VAL 12 2HG1 VAL 12 2.141 0.692 -16.317 240 HG13 VAL 12 3HG1 VAL 12 3.014 1.287 -14.890 241 HG21 VAL 12 3HG2 VAL 12 3.439 -2.088 -13.259 242 HG22 VAL 12 1HG2 VAL 12 4.612 -1.306 -14.311 243 HG23 VAL 12 2HG2 VAL 12 3.776 -0.366 -13.073 244 H GLU 13 H GLU 13 -0.109 -2.301 -15.727 245 HA GLU 13 HA GLU 13 -1.216 -0.389 -17.512 246 HB2 GLU 13 1HB GLU 13 -1.881 -3.225 -16.756 247 HB3 GLU 13 2HB GLU 13 -2.976 -2.336 -17.793 248 HG2 GLU 13 1HG GLU 13 -1.313 -2.018 -19.480 249 HG3 GLU 13 2HG GLU 13 -0.045 -2.642 -18.434 250 HE2 GLU 13 HE2 GLU 13 -0.523 -3.547 -20.808 251 H ALA 14 H ALA 14 -2.617 -1.915 -14.572 252 HA ALA 14 HA ALA 14 -5.176 -0.640 -14.887 253 HB1 ALA 14 3HB ALA 14 -3.741 -1.494 -12.373 254 HB2 ALA 14 1HB ALA 14 -5.502 -1.202 -12.563 255 HB3 ALA 14 2HB ALA 14 -4.707 -2.556 -13.408 256 H LEU 15 H LEU 15 -2.235 0.361 -13.111 257 HA LEU 15 HA LEU 15 -3.326 2.802 -12.023 258 HB2 LEU 15 1HB LEU 15 -0.884 1.407 -11.987 259 HB3 LEU 15 2HB LEU 15 -0.474 2.934 -12.748 260 HG LEU 15 HG LEU 15 -1.787 2.623 -10.028 261 HD11 LEU 15 1HD1 LEU 15 0.394 3.278 -9.167 262 HD12 LEU 15 2HD1 LEU 15 1.067 3.344 -10.798 263 HD13 LEU 15 3HD1 LEU 15 0.531 1.787 -10.088 264 HD21 LEU 15 3HD2 LEU 15 -0.696 5.105 -11.390 265 HD22 LEU 15 1HD2 LEU 15 -1.226 5.001 -9.709 266 HD23 LEU 15 2HD2 LEU 15 -2.409 4.783 -11.033 267 H TYR 16 H TYR 16 -1.743 2.013 -15.138 268 HA TYR 16 HA TYR 16 -1.622 4.708 -16.123 269 HB2 TYR 16 1HB TYR 16 -0.332 2.990 -17.166 270 HB3 TYR 16 2HB TYR 16 -1.774 2.031 -17.517 271 HD1 TYR 16 HD1 TYR 16 -0.064 5.239 -18.389 272 HD2 TYR 16 HD2 TYR 16 -3.062 2.373 -19.496 273 HE1 TYR 16 HE1 TYR 16 -0.338 6.374 -20.586 274 HE2 TYR 16 HE2 TYR 16 -3.341 3.519 -21.678 275 HH TYR 16 HH TYR 16 -1.390 6.373 -22.600 276 H LEU 17 H LEU 17 -4.105 2.138 -16.412 277 HA LEU 17 HA LEU 17 -5.752 3.657 -18.212 278 HB2 LEU 17 1HB LEU 17 -6.316 1.411 -16.247 279 HB3 LEU 17 2HB LEU 17 -7.583 2.086 -17.290 280 HG LEU 17 HG LEU 17 -5.028 0.904 -18.433 281 HD11 LEU 17 1HD1 LEU 17 -6.254 -1.153 -18.837 282 HD12 LEU 17 2HD1 LEU 17 -7.677 -0.513 -17.995 283 HD13 LEU 17 3HD1 LEU 17 -6.160 -0.829 -17.106 284 HD21 LEU 17 3HD2 LEU 17 -6.303 2.368 -19.942 285 HD22 LEU 17 1HD2 LEU 17 -7.797 1.433 -19.625 286 HD23 LEU 17 2HD2 LEU 17 -6.423 0.672 -20.463 287 H VAL 18 H VAL 18 -5.719 3.406 -14.640 288 HA VAL 18 HA VAL 18 -8.005 5.175 -14.531 289 HB VAL 18 HB VAL 18 -7.671 3.518 -12.781 290 HG11 VAL 18 1HG1 VAL 18 -5.218 3.572 -12.617 291 HG12 VAL 18 2HG1 VAL 18 -5.286 5.191 -11.858 292 HG13 VAL 18 3HG1 VAL 18 -5.996 3.787 -11.059 293 HG21 VAL 18 3HG2 VAL 18 -9.006 5.491 -12.266 294 HG22 VAL 18 1HG2 VAL 18 -8.119 4.947 -10.831 295 HG23 VAL 18 2HG2 VAL 18 -7.558 6.369 -11.739 296 H CYS 19 H CYS 19 -4.496 5.734 -14.220 297 HA CYS 19 HA CYS 19 -5.155 8.631 -13.990 298 HB2 CYS 19 1HB CYS 19 -4.298 7.280 -11.923 299 HB3 CYS 19 2HB CYS 19 -2.714 7.554 -12.666 300 H GLY 20 H GLY 20 -2.970 6.348 -15.427 301 HA2 GLY 20 1HA GLY 20 -0.937 8.248 -16.216 302 HA3 GLY 20 2HA GLY 20 -1.260 6.695 -17.016 303 H GLU 21 H GLU 21 -4.054 7.235 -17.532 304 HA GLU 21 HA GLU 21 -3.857 8.935 -19.922 305 HB2 GLU 21 1HB GLU 21 -6.151 7.432 -18.654 306 HB3 GLU 21 2HB GLU 21 -6.246 8.299 -20.184 307 HG2 GLU 21 1HG GLU 21 -4.519 6.783 -21.129 308 HG3 GLU 21 2HG GLU 21 -4.450 5.922 -19.593 309 HE2 GLU 21 HE2 GLU 21 -6.633 4.053 -21.611 310 H ARG 22 H ARG 22 -3.930 9.892 -16.857 311 HA ARG 22 HA ARG 22 -5.846 12.137 -17.411 312 HB2 ARG 22 1HB ARG 22 -5.307 10.604 -14.941 313 HB3 ARG 22 2HB ARG 22 -5.254 12.325 -14.758 314 HG2 ARG 22 1HG ARG 22 -7.453 11.849 -14.294 315 HG3 ARG 22 2HG ARG 22 -7.554 12.359 -15.980 316 HD2 ARG 22 1HD ARG 22 -7.104 9.466 -15.427 317 HD3 ARG 22 2HD ARG 22 -8.695 10.118 -15.037 318 HE ARG 22 HE ARG 22 -8.152 11.004 -17.607 319 HH11 ARG 22 1HH1 ARG 22 -8.434 7.854 -16.077 320 HH12 ARG 22 2HH1 ARG 22 -8.917 7.066 -17.567 321 HH21 ARG 22 1HH2 ARG 22 -8.791 9.929 -19.455 322 HH22 ARG 22 2HH2 ARG 22 -9.175 8.235 -19.431 323 H GLY 23 H GLY 23 -2.638 11.233 -16.041 324 HA2 GLY 23 1HA GLY 23 -0.885 12.710 -17.169 325 HA3 GLY 23 2HA GLY 23 -1.810 14.052 -16.543 326 H GLY 24 H GLY 24 -1.092 11.083 -14.649 327 HA2 GLY 24 1HA GLY 24 0.916 12.662 -13.111 328 HA3 GLY 24 2HA GLY 24 -0.425 11.899 -12.276 329 H PHE 25 H PHE 25 1.830 10.849 -14.898 330 HA PHE 25 HA PHE 25 2.076 8.289 -13.393 331 HB2 PHE 25 1HB PHE 25 1.267 8.690 -15.921 332 HB3 PHE 25 2HB PHE 25 2.995 8.454 -16.204 333 HD1 PHE 25 HD1 PHE 25 0.272 7.000 -14.055 334 HD2 PHE 25 HD2 PHE 25 3.627 6.245 -16.657 335 HE1 PHE 25 HE1 PHE 25 -0.135 4.600 -13.836 336 HE2 PHE 25 HE2 PHE 25 3.214 3.788 -16.419 337 HZ PHE 25 HZ PHE 25 1.341 2.958 -14.999 338 H TYR 26 H TYR 26 4.014 7.378 -12.921 339 HA TYR 26 HA TYR 26 6.392 9.132 -13.146 340 HB2 TYR 26 1HB TYR 26 7.310 7.675 -11.342 341 HB3 TYR 26 2HB TYR 26 5.745 8.409 -10.880 342 HD1 TYR 26 HD1 TYR 26 7.397 5.225 -11.975 343 HD2 TYR 26 HD2 TYR 26 3.774 7.050 -10.512 344 HE1 TYR 26 HE1 TYR 26 6.429 2.970 -11.543 345 HE2 TYR 26 HE2 TYR 26 2.815 4.765 -10.090 346 HH TYR 26 HH TYR 26 3.181 2.523 -10.130 347 H NVA 27 H ARX 27 4.978 6.652 -14.700 348 HA NVA 27 HA ARX 27 5.587 4.792 -15.938 349 HB2 NVA 27 1HB ARX 27 5.868 7.057 -17.239 350 HB3 NVA 27 2HB ARX 27 7.565 6.601 -17.341 351 HG2 NVA 27 1HG ARX 27 6.427 4.213 -18.169 352 HG3 NVA 27 2HG ARX 27 5.098 5.295 -18.583 353 HD2 NVA 27 1HD ARX 27 6.381 5.176 -20.535 354 HD3 NVA 27 2HD ARX 27 6.889 6.720 -19.835 355 HA PRO 28 HA PRO 28 9.411 2.911 -14.264 356 HB2 PRO 28 1HB PRO 28 8.554 0.345 -14.062 357 HB3 PRO 28 2HB PRO 28 8.024 1.605 -12.913 358 HG2 PRO 28 1HG PRO 28 6.622 0.542 -15.349 359 HG3 PRO 28 2HG PRO 28 5.988 0.765 -13.699 360 HD2 PRO 28 1HD PRO 28 5.591 2.574 -15.726 361 HD3 PRO 28 2HD PRO 28 5.686 3.049 -13.992 362 H HIX 29 H HIX 29 10.319 3.535 -16.302 363 HA HIX 29 HA HIX 29 10.078 1.915 -18.698 364 HB1 HIX 29 1HB HIX 29 11.860 4.243 -17.961 365 HB2 HIX 29 2HB HIX 29 12.171 3.343 -19.435 366 HD2 HIX 29 HD2 HIX 29 8.626 4.488 -17.840 367 HD1 HIX 29 HD1 HIX 29 10.859 4.741 -21.396 368 H THR 30 H THR 30 10.753 0.044 -19.009 369 HA THR 30 HA THR 30 13.464 -0.850 -18.414 370 HB THR 30 HB THR 30 11.211 -2.393 -17.001 371 HG1 THR 30 HG1 THR 30 12.537 -0.088 -16.280 372 HG21 THR 30 1HG2 THR 30 14.276 -2.491 -16.669 373 HG22 THR 30 2HG2 THR 30 13.291 -3.739 -17.463 374 HG23 THR 30 3HG2 THR 30 13.110 -3.428 -15.714 375 HXT THR 30 H02 THR 30 10.406 -1.921 -18.991 Start of MODEL 30 1 H1 GLY 1 2H0 GLY 1 5.290 2.059 0.180 2 H2 GLY 1 1H0 GLY 1 4.356 2.857 -0.929 3 HA2 GLY 1 1HA GLY 1 5.247 0.575 -1.605 4 HA3 GLY 1 2HA GLY 1 4.029 -0.023 -0.380 5 H ILE 2 H ILE 2 3.282 -1.222 -2.254 6 HA ILE 2 HA ILE 2 0.831 -0.263 -3.251 7 HB ILE 2 HB ILE 2 1.962 1.089 -4.853 8 HG12 ILE 2 1HG1 ILE 2 1.465 -0.050 -7.057 9 HG13 ILE 2 2HG1 ILE 2 1.033 -1.489 -6.169 10 HG21 ILE 2 1HG2 ILE 2 3.778 0.372 -6.344 11 HG22 ILE 2 2HG2 ILE 2 4.267 -0.032 -4.699 12 HG23 ILE 2 3HG2 ILE 2 3.684 -1.314 -5.782 13 HD11 ILE 2 3HD1 ILE 2 -0.934 -0.156 -6.733 14 HD12 ILE 2 1HD1 ILE 2 -0.750 -0.224 -4.960 15 HD13 ILE 2 2HD1 ILE 2 -0.289 1.235 -5.868 16 H VAL 3 H VAL 3 3.502 -2.581 -3.934 17 HA VAL 3 HA VAL 3 1.815 -4.513 -5.170 18 HB VAL 3 HB VAL 3 4.476 -4.843 -3.701 19 HG11 VAL 3 1HG1 VAL 3 3.313 -7.011 -3.912 20 HG12 VAL 3 2HG1 VAL 3 3.059 -6.760 -5.642 21 HG13 VAL 3 3HG1 VAL 3 4.709 -6.952 -5.016 22 HG21 VAL 3 3HG2 VAL 3 5.500 -4.800 -5.966 23 HG22 VAL 3 1HG2 VAL 3 3.899 -4.464 -6.684 24 HG23 VAL 3 2HG2 VAL 3 4.624 -3.300 -5.620 25 H GLU 4 H GLU 4 2.725 -3.979 -1.724 26 HA GLU 4 HA GLU 4 1.476 -6.468 -0.966 27 HB2 GLU 4 1HB GLU 4 2.631 -4.176 0.667 28 HB3 GLU 4 2HB GLU 4 1.927 -5.657 1.367 29 HG2 GLU 4 1HG GLU 4 3.584 -7.028 0.205 30 HG3 GLU 4 2HG GLU 4 4.278 -5.648 -0.594 31 HE2 GLU 4 HE2 GLU 4 5.922 -6.877 0.542 32 H GLN 5 H GLN 5 0.015 -3.730 -2.045 33 HA GLN 5 HA GLN 5 -2.355 -4.203 -0.283 34 HB2 GLN 5 1HB GLN 5 -1.065 -1.792 -1.363 35 HB3 GLN 5 2HB GLN 5 -2.799 -1.873 -1.649 36 HG2 GLN 5 1HG GLN 5 -2.307 -0.686 0.403 37 HG3 GLN 5 2HG GLN 5 -3.244 -2.150 0.724 38 HE21 GLN 5 2HE2 GLN 5 -2.618 -3.075 2.540 39 HE22 GLN 5 1HE2 GLN 5 -0.973 -3.213 3.088 40 H CYS 6 H CYS 6 -1.226 -3.733 -3.637 41 HA CYS 6 HA CYS 6 -3.955 -4.413 -4.532 42 HB2 CYS 6 1HB CYS 6 -1.553 -3.288 -5.954 43 HB3 CYS 6 2HB CYS 6 -2.928 -3.890 -6.809 44 H CYS 7 H CYS 7 -0.838 -6.002 -4.304 45 HA CYS 7 HA CYS 7 -1.816 -8.087 -6.184 46 HB2 CYS 7 1HB CYS 7 0.551 -7.131 -6.339 47 HB3 CYS 7 2HB CYS 7 0.876 -7.900 -4.808 48 H THR 8 H THR 8 -0.350 -7.789 -2.932 49 HA THR 8 HA THR 8 -1.009 -10.443 -2.129 50 HB THR 8 HB THR 8 -0.702 -8.029 -0.326 51 HG1 THR 8 HG1 THR 8 1.443 -9.677 -0.992 52 HG21 THR 8 1HG2 THR 8 -1.452 -10.098 0.798 53 HG22 THR 8 2HG2 THR 8 0.227 -9.648 1.246 54 HG23 THR 8 3HG2 THR 8 -0.046 -10.968 0.070 55 H SER 9 H SER 9 -2.908 -7.409 -1.898 56 HA SER 9 HA SER 9 -5.256 -9.104 -1.095 57 HB2 SER 9 1HB SER 9 -6.027 -6.940 0.043 58 HB3 SER 9 2HB SER 9 -4.761 -7.885 0.839 59 HG SER 9 HG SER 9 -4.295 -5.646 -0.871 60 H ILE 10 H ILE 10 -7.254 -7.352 -1.410 61 HA ILE 10 HA ILE 10 -7.237 -6.873 -4.320 62 HB ILE 10 HB ILE 10 -9.478 -6.754 -2.212 63 HG12 ILE 10 1HG1 ILE 10 -8.584 -9.036 -2.607 64 HG13 ILE 10 2HG1 ILE 10 -10.289 -8.813 -2.927 65 HG21 ILE 10 1HG2 ILE 10 -9.637 -6.502 -5.269 66 HG22 ILE 10 2HG2 ILE 10 -11.060 -6.730 -4.209 67 HG23 ILE 10 3HG2 ILE 10 -10.059 -5.272 -4.046 68 HD11 ILE 10 3HD1 ILE 10 -9.854 -8.761 -5.367 69 HD12 ILE 10 1HD1 ILE 10 -8.113 -8.954 -5.072 70 HD13 ILE 10 2HD1 ILE 10 -9.233 -10.256 -4.644 71 H CYS 11 H CYS 11 -7.320 -4.779 -5.193 72 HA CYS 11 HA CYS 11 -8.040 -2.595 -3.342 73 HB2 CYS 11 1HB CYS 11 -6.216 -1.213 -3.957 74 HB3 CYS 11 2HB CYS 11 -5.498 -2.827 -3.608 75 H SER 12 H SER 12 -8.621 -0.610 -4.705 76 HA SER 12 HA SER 12 -9.841 -1.475 -7.305 77 HB2 SER 12 1HB SER 12 -11.432 -1.310 -5.272 78 HB3 SER 12 2HB SER 12 -11.126 0.433 -5.284 79 HG SER 12 HG SER 12 -13.016 -0.277 -6.485 80 H LEU 13 H LEU 13 -10.612 0.566 -8.527 81 HA LEU 13 HA LEU 13 -8.399 2.139 -9.241 82 HB2 LEU 13 1HB LEU 13 -9.983 3.503 -10.448 83 HB3 LEU 13 2HB LEU 13 -10.376 1.812 -10.617 84 HG LEU 13 HG LEU 13 -11.934 3.225 -8.508 85 HD11 LEU 13 1HD1 LEU 13 -11.757 5.021 -10.183 86 HD12 LEU 13 2HD1 LEU 13 -13.394 4.327 -10.154 87 HD13 LEU 13 3HD1 LEU 13 -12.274 3.903 -11.444 88 HD21 LEU 13 3HD2 LEU 13 -13.751 1.956 -9.528 89 HD22 LEU 13 1HD2 LEU 13 -12.387 0.890 -9.224 90 HD23 LEU 13 2HD2 LEU 13 -12.711 1.493 -10.889 91 H TYR 14 H TYR 14 -10.747 2.756 -6.721 92 HA TYR 14 HA TYR 14 -10.208 5.504 -6.249 93 HB2 TYR 14 1HB TYR 14 -12.128 4.239 -5.326 94 HB3 TYR 14 2HB TYR 14 -11.032 3.279 -4.311 95 HD1 TYR 14 HD1 TYR 14 -12.321 6.758 -4.896 96 HD2 TYR 14 HD2 TYR 14 -10.377 4.067 -2.151 97 HE1 TYR 14 HE1 TYR 14 -12.517 8.465 -3.037 98 HE2 TYR 14 HE2 TYR 14 -10.601 5.729 -0.337 99 HH TYR 14 HH TYR 14 -11.448 7.681 0.287 100 H GLN 15 H GLN 15 -8.721 2.505 -5.057 101 HA GLN 15 HA GLN 15 -6.933 3.898 -3.219 102 HB2 GLN 15 1HB GLN 15 -7.695 1.195 -3.656 103 HB3 GLN 15 2HB GLN 15 -5.960 1.293 -4.069 104 HG2 GLN 15 1HG GLN 15 -5.565 2.398 -1.844 105 HG3 GLN 15 2HG GLN 15 -7.256 2.015 -1.424 106 HE21 GLN 15 2HE2 GLN 15 -7.767 -0.001 -0.733 107 HE22 GLN 15 1HE2 GLN 15 -6.644 -1.319 -0.663 108 H LEU 16 H LEU 16 -6.688 2.393 -6.489 109 HA LEU 16 HA LEU 16 -3.968 2.783 -6.915 110 HB2 LEU 16 1HB LEU 16 -6.344 2.649 -8.630 111 HB3 LEU 16 2HB LEU 16 -4.923 3.291 -9.363 112 HG LEU 16 HG LEU 16 -4.855 1.150 -10.051 113 HD11 LEU 16 1HD1 LEU 16 -3.019 0.070 -9.204 114 HD12 LEU 16 2HD1 LEU 16 -3.352 0.571 -7.514 115 HD13 LEU 16 3HD1 LEU 16 -2.729 1.741 -8.672 116 HD21 LEU 16 3HD2 LEU 16 -5.725 0.235 -7.338 117 HD22 LEU 16 1HD2 LEU 16 -5.393 -0.814 -8.762 118 HD23 LEU 16 2HD2 LEU 16 -6.746 0.373 -8.790 119 H GLU 17 H GLU 17 -6.562 5.179 -7.395 120 HA GLU 17 HA GLU 17 -4.989 7.151 -8.687 121 HB2 GLU 17 1HB GLU 17 -7.448 7.285 -6.905 122 HB3 GLU 17 2HB GLU 17 -6.676 8.750 -7.500 123 HG2 GLU 17 1HG GLU 17 -6.823 7.914 -9.819 124 HG3 GLU 17 2HG GLU 17 -7.724 6.526 -9.232 125 HE2 GLU 17 HE2 GLU 17 -7.683 9.841 -9.504 126 H ASN 18 H ASN 18 -5.231 6.337 -5.162 127 HA ASN 18 HA ASN 18 -3.831 8.738 -4.356 128 HB2 ASN 18 1HB ASN 18 -4.247 6.108 -2.954 129 HB3 ASN 18 2HB ASN 18 -3.463 7.507 -2.211 130 HD21 ASN 18 2HD2 ASN 18 -6.211 5.863 -2.283 131 HD22 ASN 18 1HD2 ASN 18 -7.382 7.133 -2.009 132 H TYR 19 H TYR 19 -2.713 5.724 -5.735 133 HA TYR 19 HA TYR 19 0.033 6.110 -4.707 134 HB2 TYR 19 1HB TYR 19 -1.132 4.130 -6.706 135 HB3 TYR 19 2HB TYR 19 0.538 4.141 -6.108 136 HD1 TYR 19 HD2 TYR 19 1.011 3.527 -3.647 137 HD2 TYR 19 HD1 TYR 19 -2.853 3.206 -5.452 138 HE1 TYR 19 HE2 TYR 19 0.215 2.073 -1.774 139 HE2 TYR 19 HE1 TYR 19 -3.636 1.713 -3.676 140 HH TYR 19 HH TYR 19 -3.096 0.691 -1.685 141 H CYS 20 H CYS 20 -2.008 7.268 -7.219 142 HA CYS 20 HA CYS 20 0.104 7.548 -9.227 143 HB2 CYS 20 1HB CYS 20 -2.388 7.362 -9.722 144 HB3 CYS 20 2HB CYS 20 -2.568 8.989 -9.040 145 H ASN 21 H ASN 21 -1.564 9.464 -6.824 146 HA ASN 21 HA ASN 21 -1.346 11.530 -5.932 147 HB2 ASN 21 1HB ASN 21 0.748 10.501 -5.047 148 HB3 ASN 21 2HB ASN 21 1.654 11.067 -6.460 149 HD21 ASN 21 2HD2 ASN 21 2.920 12.155 -4.733 150 HD22 ASN 21 1HD2 ASN 21 2.374 13.714 -4.186 151 HXT ASN 21 H02 ASN 21 -1.645 13.495 -8.628 152 H1 PHE 1 2H0 PHE 1 -12.635 -0.402 -15.952 153 H2 PHE 1 1H0 PHE 1 -13.424 -1.846 -15.682 154 HA PHE 1 HA PHE 1 -11.230 -1.921 -14.576 155 HB2 PHE 1 1HB PHE 1 -11.302 0.601 -14.225 156 HB3 PHE 1 2HB PHE 1 -12.350 0.295 -12.874 157 HD1 PHE 1 HD2 PHE 1 -11.398 -1.362 -11.003 158 HD2 PHE 1 HD1 PHE 1 -9.016 0.652 -13.953 159 HE1 PHE 1 HE2 PHE 1 -9.385 -1.765 -9.638 160 HE2 PHE 1 HE1 PHE 1 -7.014 0.279 -12.577 161 HZ PHE 1 HZ PHE 1 -7.184 -0.972 -10.419 162 H VAL 2 H VAL 2 -11.296 -3.729 -13.616 163 HA VAL 2 HA VAL 2 -13.440 -4.206 -11.616 164 HB VAL 2 HB VAL 2 -11.543 -6.185 -12.931 165 HG11 VAL 2 1HG1 VAL 2 -13.134 -7.892 -12.061 166 HG12 VAL 2 2HG1 VAL 2 -12.264 -6.985 -10.810 167 HG13 VAL 2 3HG1 VAL 2 -13.979 -6.610 -11.180 168 HG21 VAL 2 3HG2 VAL 2 -13.519 -6.932 -14.289 169 HG22 VAL 2 1HG2 VAL 2 -14.500 -5.628 -13.612 170 HG23 VAL 2 2HG2 VAL 2 -13.101 -5.237 -14.630 171 H ASN 3 H ASN 3 -12.925 -4.368 -9.536 172 HA ASN 3 HA ASN 3 -10.183 -3.941 -8.631 173 HB2 ASN 3 1HB ASN 3 -11.119 -3.984 -6.375 174 HB3 ASN 3 2HB ASN 3 -12.122 -2.952 -7.411 175 HD21 ASN 3 2HD2 ASN 3 -14.249 -3.604 -7.896 176 HD22 ASN 3 1HD2 ASN 3 -14.987 -4.920 -7.047 177 H GLN 4 H GLN 4 -8.722 -5.512 -8.138 178 HA GLN 4 HA GLN 4 -9.434 -8.263 -7.607 179 HB2 GLN 4 1HB GLN 4 -8.656 -9.209 -9.709 180 HB3 GLN 4 2HB GLN 4 -9.936 -8.076 -10.037 181 HG2 GLN 4 1HG GLN 4 -8.235 -6.327 -10.566 182 HG3 GLN 4 2HG GLN 4 -6.992 -7.595 -10.420 183 HE21 GLN 4 2HE2 GLN 4 -9.377 -6.131 -12.353 184 HE22 GLN 4 1HE2 GLN 4 -9.193 -7.221 -13.730 185 H HIS 5 H HIS 5 -7.216 -9.579 -8.051 186 HA HIS 5 HA HIS 5 -5.048 -8.130 -6.647 187 HB2 HIS 5 1HB HIS 5 -5.254 -10.920 -7.865 188 HB3 HIS 5 2HB HIS 5 -3.819 -10.301 -6.986 189 HD1 HIS 5 HD1 HIS 5 -4.260 -9.718 -4.376 190 HD2 HIS 5 HD2 HIS 5 -7.271 -11.948 -6.262 191 HE1 HIS 5 HE1 HIS 5 -5.650 -10.757 -2.534 192 HE2 HIS 5 HE2 HIS 5 -7.469 -12.095 -3.693 193 H LEU 6 H LEU 6 -3.421 -7.035 -7.696 194 HA LEU 6 HA LEU 6 -2.968 -7.612 -10.601 195 HB2 LEU 6 1HB LEU 6 -3.271 -4.934 -9.230 196 HB3 LEU 6 2HB LEU 6 -2.621 -5.122 -10.864 197 HG LEU 6 HG LEU 6 -5.337 -6.236 -10.291 198 HD11 LEU 6 1HD1 LEU 6 -6.349 -4.061 -10.736 199 HD12 LEU 6 2HD1 LEU 6 -4.736 -3.317 -10.662 200 HD13 LEU 6 3HD1 LEU 6 -5.450 -4.070 -9.231 201 HD21 LEU 6 3HD2 LEU 6 -5.711 -5.454 -12.628 202 HD22 LEU 6 1HD2 LEU 6 -4.307 -6.539 -12.490 203 HD23 LEU 6 2HD2 LEU 6 -4.099 -4.751 -12.639 204 H CYS 7 H CYS 7 -0.845 -7.654 -11.175 205 HA CYS 7 HA CYS 7 1.170 -6.673 -9.200 206 HB2 CYS 7 1HB CYS 7 0.393 -9.379 -9.467 207 HB3 CYS 7 2HB CYS 7 1.970 -9.245 -10.299 208 H GLY 8 H GLY 8 3.341 -6.595 -10.158 209 HA2 GLY 8 1HA GLY 8 4.744 -5.868 -11.795 210 HA3 GLY 8 2HA GLY 8 4.116 -7.245 -12.691 211 H SER 9 H SER 9 4.036 -6.566 -14.738 212 HA SER 9 HA SER 9 3.424 -3.883 -15.541 213 HB2 SER 9 1HB SER 9 2.867 -6.395 -17.127 214 HB3 SER 9 2HB SER 9 3.427 -4.818 -17.726 215 HG SER 9 HG SER 9 5.172 -6.194 -17.643 216 H HIS 10 H HIS 10 1.252 -6.617 -14.760 217 HA HIS 10 HA HIS 10 -1.084 -5.447 -15.929 218 HB2 HIS 10 1HB HIS 10 -0.578 -7.816 -14.806 219 HB3 HIS 10 2HB HIS 10 -1.303 -6.995 -13.386 220 HD1 HIS 10 HD1 HIS 10 -2.974 -9.290 -14.329 221 HD2 HIS 10 HD2 HIS 10 -3.198 -5.541 -16.157 222 HE1 HIS 10 HE1 HIS 10 -5.240 -9.171 -15.492 223 HE2 HIS 10 HE2 HIS 10 -5.351 -6.923 -16.610 224 H LEU 11 H LEU 11 0.528 -5.072 -12.728 225 HA LEU 11 HA LEU 11 -1.460 -3.343 -11.585 226 HB2 LEU 11 1HB LEU 11 0.959 -4.474 -10.763 227 HB3 LEU 11 2HB LEU 11 1.295 -2.745 -10.812 228 HG LEU 11 HG LEU 11 -0.924 -4.092 -9.212 229 HD11 LEU 11 1HD1 LEU 11 1.362 -4.559 -8.382 230 HD12 LEU 11 2HD1 LEU 11 0.445 -3.486 -7.272 231 HD13 LEU 11 3HD1 LEU 11 1.718 -2.796 -8.313 232 HD21 LEU 11 3HD2 LEU 11 -1.254 -1.939 -8.139 233 HD22 LEU 11 1HD2 LEU 11 -1.617 -1.851 -9.877 234 HD23 LEU 11 2HD2 LEU 11 -0.087 -1.167 -9.239 235 H VAL 12 H VAL 12 1.520 -2.698 -13.456 236 HA VAL 12 HA VAL 12 1.324 0.118 -13.374 237 HB VAL 12 HB VAL 12 2.508 -1.671 -15.558 238 HG11 VAL 12 1HG1 VAL 12 2.090 0.532 -16.482 239 HG12 VAL 12 2HG1 VAL 12 2.869 1.314 -15.075 240 HG13 VAL 12 3HG1 VAL 12 3.838 0.352 -16.191 241 HG21 VAL 12 3HG2 VAL 12 3.824 -0.221 -13.220 242 HG22 VAL 12 1HG2 VAL 12 3.620 -1.979 -13.366 243 HG23 VAL 12 2HG2 VAL 12 4.684 -1.093 -14.474 244 H GLU 13 H GLU 13 -0.038 -2.279 -15.682 245 HA GLU 13 HA GLU 13 -1.197 -0.379 -17.476 246 HB2 GLU 13 1HB GLU 13 -1.829 -3.186 -16.690 247 HB3 GLU 13 2HB GLU 13 -3.006 -2.288 -17.615 248 HG2 GLU 13 1HG GLU 13 -1.210 -1.817 -19.336 249 HG3 GLU 13 2HG GLU 13 -0.131 -2.886 -18.412 250 HE2 GLU 13 HE2 GLU 13 -1.661 -5.707 -19.482 251 H ALA 14 H ALA 14 -2.534 -1.844 -14.436 252 HA ALA 14 HA ALA 14 -5.094 -0.649 -14.670 253 HB1 ALA 14 3HB ALA 14 -4.567 -2.413 -13.113 254 HB2 ALA 14 1HB ALA 14 -3.542 -1.313 -12.151 255 HB3 ALA 14 2HB ALA 14 -5.262 -1.019 -12.268 256 H LEU 15 H LEU 15 -2.114 0.509 -13.058 257 HA LEU 15 HA LEU 15 -3.216 2.988 -12.110 258 HB2 LEU 15 1HB LEU 15 -0.665 1.706 -12.249 259 HB3 LEU 15 2HB LEU 15 -0.465 3.322 -12.864 260 HG LEU 15 HG LEU 15 -1.660 2.655 -10.156 261 HD11 LEU 15 1HD1 LEU 15 0.505 3.482 -9.247 262 HD12 LEU 15 2HD1 LEU 15 1.147 3.606 -10.907 263 HD13 LEU 15 3HD1 LEU 15 0.686 2.006 -10.175 264 HD21 LEU 15 3HD2 LEU 15 -2.344 4.860 -11.122 265 HD22 LEU 15 1HD2 LEU 15 -0.628 5.312 -11.164 266 HD23 LEU 15 2HD2 LEU 15 -1.418 4.937 -9.611 267 H TYR 16 H TYR 16 -1.711 2.096 -15.231 268 HA TYR 16 HA TYR 16 -1.659 4.767 -16.245 269 HB2 TYR 16 1HB TYR 16 -0.268 3.086 -17.235 270 HB3 TYR 16 2HB TYR 16 -1.704 2.086 -17.594 271 HD1 TYR 16 HD1 TYR 16 0.033 5.229 -18.517 272 HD2 TYR 16 HD2 TYR 16 -3.041 2.452 -19.553 273 HE1 TYR 16 HE1 TYR 16 -0.196 6.341 -20.805 274 HE2 TYR 16 HE2 TYR 16 -3.272 3.501 -21.773 275 HH TYR 16 HH TYR 16 -1.181 6.202 -22.830 276 H LEU 17 H LEU 17 -4.129 2.137 -16.475 277 HA LEU 17 HA LEU 17 -5.754 3.626 -18.309 278 HB2 LEU 17 1HB LEU 17 -6.324 1.289 -16.471 279 HB3 LEU 17 2HB LEU 17 -7.519 1.927 -17.636 280 HG LEU 17 HG LEU 17 -4.780 0.869 -18.409 281 HD11 LEU 17 1HD1 LEU 17 -6.090 -0.897 -17.369 282 HD12 LEU 17 2HD1 LEU 17 -5.928 -1.187 -19.093 283 HD13 LEU 17 3HD1 LEU 17 -7.466 -0.559 -18.429 284 HD21 LEU 17 3HD2 LEU 17 -5.653 2.358 -20.087 285 HD22 LEU 17 1HD2 LEU 17 -7.232 1.523 -20.090 286 HD23 LEU 17 2HD2 LEU 17 -5.745 0.697 -20.690 287 H VAL 18 H VAL 18 -5.700 3.390 -14.743 288 HA VAL 18 HA VAL 18 -8.131 5.010 -14.600 289 HB VAL 18 HB VAL 18 -7.603 3.267 -12.904 290 HG11 VAL 18 1HG1 VAL 18 -5.591 5.126 -11.652 291 HG12 VAL 18 2HG1 VAL 18 -5.923 3.450 -11.331 292 HG13 VAL 18 3HG1 VAL 18 -5.106 3.879 -12.846 293 HG21 VAL 18 3HG2 VAL 18 -8.174 4.621 -10.905 294 HG22 VAL 18 1HG2 VAL 18 -7.786 6.107 -11.787 295 HG23 VAL 18 2HG2 VAL 18 -9.154 5.086 -12.285 296 H CYS 19 H CYS 19 -4.636 5.657 -14.351 297 HA CYS 19 HA CYS 19 -5.303 8.537 -13.775 298 HB2 CYS 19 1HB CYS 19 -4.236 7.114 -11.874 299 HB3 CYS 19 2HB CYS 19 -2.814 7.128 -12.910 300 H GLY 20 H GLY 20 -3.106 6.343 -15.445 301 HA2 GLY 20 1HA GLY 20 -1.220 8.333 -16.203 302 HA3 GLY 20 2HA GLY 20 -1.479 6.793 -17.046 303 H GLU 21 H GLU 21 -4.134 7.153 -17.899 304 HA GLU 21 HA GLU 21 -3.750 8.998 -20.129 305 HB2 GLU 21 1HB GLU 21 -6.149 7.390 -19.168 306 HB3 GLU 21 2HB GLU 21 -6.145 8.355 -20.634 307 HG2 GLU 21 1HG GLU 21 -4.155 7.019 -21.383 308 HG3 GLU 21 2HG GLU 21 -4.468 5.926 -19.998 309 HE2 GLU 21 HE2 GLU 21 -6.536 4.163 -21.957 310 H ARG 22 H ARG 22 -4.566 9.692 -16.912 311 HA ARG 22 HA ARG 22 -6.350 11.919 -17.735 312 HB2 ARG 22 1HB ARG 22 -7.267 10.321 -16.083 313 HB3 ARG 22 2HB ARG 22 -5.868 10.639 -15.033 314 HG2 ARG 22 1HG ARG 22 -7.729 11.914 -14.137 315 HG3 ARG 22 2HG ARG 22 -6.612 13.050 -14.883 316 HD2 ARG 22 1HD ARG 22 -8.662 13.760 -15.668 317 HD3 ARG 22 2HD ARG 22 -8.075 12.741 -17.000 318 HE ARG 22 HE ARG 22 -9.560 11.132 -15.205 319 HH11 ARG 22 1HH1 ARG 22 -10.166 13.738 -17.566 320 HH12 ARG 22 2HH1 ARG 22 -11.788 13.222 -17.834 321 HH21 ARG 22 1HH2 ARG 22 -11.692 10.552 -15.615 322 HH22 ARG 22 2HH2 ARG 22 -12.655 11.462 -16.749 323 H GLY 23 H GLY 23 -3.203 11.121 -16.435 324 HA2 GLY 23 1HA GLY 23 -2.710 13.998 -15.925 325 HA3 GLY 23 2HA GLY 23 -2.041 12.685 -14.933 326 H GLY 24 H GLY 24 0.107 12.869 -15.400 327 HA2 GLY 24 1HA GLY 24 0.912 12.741 -18.263 328 HA3 GLY 24 2HA GLY 24 1.932 13.364 -16.952 329 H PHE 25 H PHE 25 1.189 11.074 -15.167 330 HA PHE 25 HA PHE 25 1.885 9.061 -14.587 331 HB2 PHE 25 1HB PHE 25 0.695 8.538 -16.878 332 HB3 PHE 25 2HB PHE 25 2.329 8.164 -17.429 333 HD1 PHE 25 HD1 PHE 25 0.314 7.514 -14.284 334 HD2 PHE 25 HD2 PHE 25 2.652 5.847 -17.505 335 HE1 PHE 25 HE1 PHE 25 0.115 5.265 -13.250 336 HE2 PHE 25 HE2 PHE 25 2.470 3.570 -16.494 337 HZ PHE 25 HZ PHE 25 1.129 3.262 -14.351 338 H TYR 26 H TYR 26 3.745 7.300 -14.977 339 HA TYR 26 HA TYR 26 6.276 8.831 -15.309 340 HB2 TYR 26 1HB TYR 26 7.158 7.737 -13.343 341 HB3 TYR 26 2HB TYR 26 5.584 8.440 -12.934 342 HD1 TYR 26 HD2 TYR 26 3.575 6.931 -12.633 343 HD2 TYR 26 HD1 TYR 26 7.502 5.340 -13.309 344 HE1 TYR 26 HE2 TYR 26 2.818 4.726 -11.840 345 HE2 TYR 26 HE1 TYR 26 6.713 3.134 -12.499 346 HH TYR 26 HH TYR 26 5.030 1.953 -11.527 347 H NVA 27 H ARX 27 4.508 6.280 -16.372 348 HA NVA 27 HA ARX 27 5.011 4.057 -16.992 349 HB2 NVA 27 1HB ARX 27 4.471 5.902 -18.808 350 HB3 NVA 27 2HB ARX 27 6.085 5.498 -19.388 351 HG2 NVA 27 1HG ARX 27 4.948 2.981 -19.051 352 HG3 NVA 27 2HG ARX 27 3.512 3.975 -19.371 353 HD2 NVA 27 1HD ARX 27 4.149 3.171 -21.498 354 HD3 NVA 27 2HD ARX 27 4.734 4.860 -21.515 355 HA PRO 28 HA PRO 28 9.370 3.125 -16.250 356 HB2 PRO 28 1HB PRO 28 9.099 0.713 -15.039 357 HB3 PRO 28 2HB PRO 28 8.652 2.239 -14.230 358 HG2 PRO 28 1HG PRO 28 6.912 0.288 -15.683 359 HG3 PRO 28 2HG PRO 28 6.703 0.976 -14.053 360 HD2 PRO 28 1HD PRO 28 5.452 1.966 -16.286 361 HD3 PRO 28 2HD PRO 28 5.896 2.990 -14.897 362 H HIX 29 H HIX 29 9.187 3.112 -18.669 363 HA HIX 29 HA HIX 29 8.853 0.680 -20.186 364 HB1 HIX 29 1HB HIX 29 10.203 3.342 -20.929 365 HB2 HIX 29 2HB HIX 29 10.180 1.980 -22.007 366 HD2 HIX 29 HD2 HIX 29 7.264 3.403 -19.642 367 HD1 HIX 29 HD1 HIX 29 8.060 2.354 -23.657 368 H THR 30 H THR 30 9.936 -1.028 -19.789 369 HA THR 30 HA THR 30 12.925 -1.129 -19.729 370 HB THR 30 HB THR 30 12.735 -2.710 -17.679 371 HG1 THR 30 HG1 THR 30 10.242 -1.257 -17.462 372 HG21 THR 30 1HG2 THR 30 11.928 0.213 -17.211 373 HG22 THR 30 2HG2 THR 30 13.596 -0.352 -17.439 374 HG23 THR 30 3HG2 THR 30 12.608 -0.882 -16.045 375 HXT THR 30 H02 THR 30 10.825 -4.150 -20.856
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