NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | position | program | type |
3929 | 1efe | cing | recoord | dress | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H PHE 1 HT1 PHE 1 -22.334 -2.813 -5.374 2 2H PHE 1 HT2 PHE 1 -21.612 -4.243 -5.939 3 3H PHE 1 HT3 PHE 1 -21.972 -2.985 -7.022 4 HA PHE 1 HA PHE 1 -20.011 -2.761 -4.795 5 1HB PHE 1 HB2 PHE 1 -19.429 -4.460 -6.498 6 2HB PHE 1 HB1 PHE 1 -19.688 -3.269 -7.772 7 HD1 PHE 1 HD1 PHE 1 -17.509 -4.287 -4.979 8 HD2 PHE 1 HD2 PHE 1 -18.104 -1.461 -8.158 9 HE1 PHE 1 HE1 PHE 1 -15.170 -3.505 -4.720 10 HE2 PHE 1 HE2 PHE 1 -15.766 -0.677 -7.898 11 HZ PHE 1 HZ PHE 1 -14.299 -1.699 -6.179 12 H VAL 2 HN VAL 2 -19.970 -0.602 -4.303 13 HA VAL 2 HA VAL 2 -20.169 1.373 -6.507 14 HB VAL 2 HB VAL 2 -21.458 2.758 -4.900 15 1HG1 VAL 2 HG11 VAL 2 -22.522 -0.046 -5.334 16 2HG1 VAL 2 HG12 VAL 2 -22.688 1.315 -6.443 17 3HG1 VAL 2 HG13 VAL 2 -23.510 1.344 -4.884 18 1HG2 VAL 2 HG21 VAL 2 -20.338 1.178 -2.965 19 2HG2 VAL 2 HG22 VAL 2 -21.952 0.480 -3.080 20 3HG2 VAL 2 HG23 VAL 2 -21.756 2.193 -2.709 21 H ASN 3 HN ASN 3 -19.081 3.453 -5.987 22 HA ASN 3 HA ASN 3 -17.154 3.423 -3.730 23 1HB ASN 3 HB2 ASN 3 -16.105 2.199 -5.626 24 2HB ASN 3 HB1 ASN 3 -16.355 3.609 -6.655 25 1HD2 ASN 3 HD21 ASN 3 -14.574 2.463 -3.778 26 2HD2 ASN 3 HD22 ASN 3 -13.385 3.673 -3.832 27 H GLN 4 HN GLN 4 -18.523 5.254 -3.117 28 HA GLN 4 HA GLN 4 -18.671 7.631 -4.843 29 1HB GLN 4 HB2 GLN 4 -19.370 7.135 -1.928 30 2HB GLN 4 HB1 GLN 4 -19.871 8.534 -2.874 31 1HG GLN 4 HG2 GLN 4 -21.104 7.056 -4.420 32 2HG GLN 4 HG1 GLN 4 -20.606 5.651 -3.476 33 1HE2 GLN 4 HE21 GLN 4 -23.120 5.469 -3.295 34 2HE2 GLN 4 HE22 GLN 4 -23.852 6.289 -2.002 35 H HIS 5 HN HIS 5 -17.922 9.773 -3.854 36 HA HIS 5 HA HIS 5 -15.093 9.643 -3.175 37 1HB HIS 5 HB2 HIS 5 -17.216 11.753 -3.503 38 2HB HIS 5 HB1 HIS 5 -15.659 12.195 -2.802 39 HD1 HIS 5 HD1 HIS 5 -16.537 13.247 -5.607 40 HD2 HIS 5 HD2 HIS 5 -14.159 9.881 -4.991 41 HE1 HIS 5 HE1 HIS 5 -15.232 12.890 -7.749 42 H LEU 6 HN LEU 6 -14.188 9.763 -1.126 43 HA LEU 6 HA LEU 6 -15.853 9.317 1.192 44 1HB LEU 6 HB2 LEU 6 -12.917 9.865 0.711 45 2HB LEU 6 HB1 LEU 6 -13.564 9.559 2.324 46 HG LEU 6 HG LEU 6 -14.104 7.678 0.028 47 1HD1 LEU 6 HD11 LEU 6 -11.668 7.853 0.246 48 2HD1 LEU 6 HD12 LEU 6 -12.218 6.306 0.891 49 3HD1 LEU 6 HD13 LEU 6 -11.791 7.618 1.989 50 1HD2 LEU 6 HD21 LEU 6 -15.380 7.722 2.298 51 2HD2 LEU 6 HD22 LEU 6 -13.894 7.049 2.968 52 3HD2 LEU 6 HD23 LEU 6 -14.772 6.173 1.714 53 H CYS 7 HN CYS 7 -17.216 11.205 1.280 54 HA CYS 7 HA CYS 7 -15.921 13.556 2.557 55 1HB CYS 7 HB2 CYS 7 -17.191 13.391 -0.132 56 2HB CYS 7 HB1 CYS 7 -17.582 14.812 0.834 57 H GLY 8 HN GLY 8 -17.849 15.189 3.045 58 1HA GLY 8 HA2 GLY 8 -19.761 15.573 4.331 59 2HA GLY 8 HA1 GLY 8 -20.531 14.420 3.241 60 H SER 9 HN SER 9 -21.734 13.222 4.715 61 HA SER 9 HA SER 9 -20.792 12.450 7.343 62 1HB SER 9 HB2 SER 9 -23.040 11.447 5.572 63 2HB SER 9 HB1 SER 9 -22.874 11.073 7.285 64 HG SER 9 HG SER 9 -23.129 13.653 6.117 65 H HIS 10 HN HIS 10 -20.732 10.891 4.179 66 HA HIS 10 HA HIS 10 -20.200 8.211 5.021 67 1HB HIS 10 HB2 HIS 10 -20.891 9.055 2.748 68 2HB HIS 10 HB1 HIS 10 -19.238 9.627 2.519 69 HD1 HIS 10 HD1 HIS 10 -20.895 6.352 3.596 70 HD2 HIS 10 HD2 HIS 10 -17.699 7.704 1.287 71 HE1 HIS 10 HE1 HIS 10 -19.801 4.291 2.612 72 H LEU 11 HN LEU 11 -18.014 10.958 4.447 73 HA LEU 11 HA LEU 11 -15.528 9.566 4.498 74 1HB LEU 11 HB2 LEU 11 -15.803 11.890 3.817 75 2HB LEU 11 HB1 LEU 11 -16.322 12.343 5.436 76 HG LEU 11 HG LEU 11 -14.102 11.688 6.317 77 1HD1 LEU 11 HD11 LEU 11 -13.402 11.247 3.399 78 2HD1 LEU 11 HD12 LEU 11 -13.584 9.974 4.602 79 3HD1 LEU 11 HD13 LEU 11 -12.282 11.152 4.755 80 1HD2 LEU 11 HD21 LEU 11 -14.494 13.780 4.239 81 2HD2 LEU 11 HD22 LEU 11 -12.826 13.443 4.703 82 3HD2 LEU 11 HD23 LEU 11 -13.996 13.945 5.923 83 H VAL 12 HN VAL 12 -17.273 11.136 7.232 84 HA VAL 12 HA VAL 12 -15.428 10.398 9.299 85 HB VAL 12 HB VAL 12 -18.437 10.856 9.267 86 1HG1 VAL 12 HG11 VAL 12 -17.990 11.478 11.731 87 2HG1 VAL 12 HG12 VAL 12 -16.489 10.568 11.560 88 3HG1 VAL 12 HG13 VAL 12 -18.041 9.761 11.334 89 1HG2 VAL 12 HG21 VAL 12 -17.562 13.086 10.296 90 2HG2 VAL 12 HG22 VAL 12 -17.413 12.844 8.555 91 3HG2 VAL 12 HG23 VAL 12 -16.013 12.609 9.601 92 H GLU 13 HN GLU 13 -18.350 8.769 8.066 93 HA GLU 13 HA GLU 13 -18.299 6.495 9.775 94 1HB GLU 13 HB2 GLU 13 -19.223 6.898 6.912 95 2HB GLU 13 HB1 GLU 13 -19.629 5.483 7.885 96 1HG GLU 13 HG2 GLU 13 -20.705 6.939 9.562 97 2HG GLU 13 HG1 GLU 13 -20.304 8.355 8.593 98 H ALA 14 HN ALA 14 -16.732 7.154 6.669 99 HA ALA 14 HA ALA 14 -15.582 4.571 6.253 100 1HB ALA 14 HB1 ALA 14 -14.383 5.681 4.512 101 2HB ALA 14 HB2 ALA 14 -14.444 7.226 5.360 102 3HB ALA 14 HB3 ALA 14 -15.911 6.551 4.651 103 H LEU 15 HN LEU 15 -14.333 7.503 7.884 104 HA LEU 15 HA LEU 15 -11.663 6.620 8.330 105 1HB LEU 15 HB2 LEU 15 -13.533 8.449 9.853 106 2HB LEU 15 HB1 LEU 15 -11.823 8.284 10.254 107 HG LEU 15 HG LEU 15 -12.813 8.998 7.483 108 1HD1 LEU 15 HD11 LEU 15 -13.387 10.690 9.321 109 2HD1 LEU 15 HD12 LEU 15 -12.408 11.297 7.987 110 3HD1 LEU 15 HD13 LEU 15 -11.648 10.900 9.528 111 1HD2 LEU 15 HD21 LEU 15 -10.638 8.312 7.160 112 2HD2 LEU 15 HD22 LEU 15 -10.178 8.635 8.832 113 3HD2 LEU 15 HD23 LEU 15 -10.306 9.964 7.680 114 H TYR 16 HN TYR 16 -14.493 6.344 10.536 115 HA TYR 16 HA TYR 16 -13.109 4.917 12.599 116 1HB TYR 16 HB2 TYR 16 -15.969 5.264 11.723 117 2HB TYR 16 HB1 TYR 16 -15.585 4.167 13.050 118 HD1 TYR 16 HD1 TYR 16 -14.800 4.990 15.181 119 HD2 TYR 16 HD2 TYR 16 -15.452 7.688 11.913 120 HE1 TYR 16 HE1 TYR 16 -14.601 6.918 16.729 121 HE2 TYR 16 HE2 TYR 16 -15.258 9.615 13.453 122 HH TYR 16 HH TYR 16 -15.625 9.536 16.545 123 H LEU 17 HN LEU 17 -14.909 3.780 9.746 124 HA LEU 17 HA LEU 17 -14.724 0.979 10.351 125 1HB LEU 17 HB2 LEU 17 -15.185 2.583 7.856 126 2HB LEU 17 HB1 LEU 17 -15.308 0.829 7.886 127 HG LEU 17 HG LEU 17 -16.863 2.632 9.758 128 1HD1 LEU 17 HD11 LEU 17 -18.635 2.703 8.265 129 2HD1 LEU 17 HD12 LEU 17 -18.130 1.232 7.433 130 3HD1 LEU 17 HD13 LEU 17 -17.283 2.750 7.134 131 1HD2 LEU 17 HD21 LEU 17 -16.624 -0.288 9.261 132 2HD2 LEU 17 HD22 LEU 17 -18.265 0.316 9.488 133 3HD2 LEU 17 HD23 LEU 17 -17.052 0.570 10.741 134 H VAL 18 HN VAL 18 -12.734 3.158 8.360 135 HA VAL 18 HA VAL 18 -10.981 1.086 7.357 136 HB VAL 18 HB VAL 18 -10.739 4.079 7.539 137 1HG1 VAL 18 HG11 VAL 18 -8.947 2.000 6.443 138 2HG1 VAL 18 HG12 VAL 18 -8.577 3.647 6.951 139 3HG1 VAL 18 HG13 VAL 18 -9.272 3.352 5.358 140 1HG2 VAL 18 HG21 VAL 18 -12.569 2.599 6.130 141 2HG2 VAL 18 HG22 VAL 18 -11.268 2.766 4.951 142 3HG2 VAL 18 HG23 VAL 18 -12.010 4.202 5.655 143 H CYS 19 HN CYS 19 -10.710 3.416 10.036 144 HA CYS 19 HA CYS 19 -7.982 2.770 10.706 145 1HB CYS 19 HB2 CYS 19 -10.285 4.136 12.033 146 2HB CYS 19 HB1 CYS 19 -8.784 3.885 12.919 147 H GLY 20 HN GLY 20 -11.099 1.468 11.782 148 1HA GLY 20 HA2 GLY 20 -11.578 -0.534 12.902 149 2HA GLY 20 HA1 GLY 20 -9.894 -0.987 12.663 150 H GLU 21 HN GLU 21 -8.296 -0.060 14.218 151 HA GLU 21 HA GLU 21 -9.034 -0.411 16.923 152 1HB GLU 21 HB2 GLU 21 -6.752 1.039 15.567 153 2HB GLU 21 HB1 GLU 21 -6.818 0.810 17.314 154 1HG GLU 21 HG2 GLU 21 -6.993 -1.645 16.963 155 2HG GLU 21 HG1 GLU 21 -6.851 -1.390 15.225 156 H ARG 22 HN ARG 22 -9.431 1.105 18.614 157 HA ARG 22 HA ARG 22 -10.501 3.718 17.702 158 1HB ARG 22 HB2 ARG 22 -10.977 1.953 20.115 159 2HB ARG 22 HB1 ARG 22 -11.720 3.540 19.914 160 1HG ARG 22 HG2 ARG 22 -12.832 2.830 17.880 161 2HG ARG 22 HG1 ARG 22 -11.978 1.287 17.904 162 1HD ARG 22 HD2 ARG 22 -14.220 0.927 18.794 163 2HD ARG 22 HD1 ARG 22 -13.076 0.819 20.145 164 HE ARG 22 HE ARG 22 -13.802 3.537 19.941 165 1HH1 ARG 22 HH21 ARG 22 -14.222 1.547 22.279 166 2HH1 ARG 22 HH22 ARG 22 -15.930 1.712 22.521 167 1HH2 ARG 22 HH11 ARG 22 -16.475 3.297 19.486 168 2HH2 ARG 22 HH12 ARG 22 -17.205 2.703 20.940 169 H GLY 23 HN GLY 23 -7.580 2.932 18.510 170 1HA GLY 23 HA2 GLY 23 -7.258 4.856 20.766 171 2HA GLY 23 HA1 GLY 23 -6.092 3.608 20.341 172 H PHE 24 HN PHE 24 -7.160 5.015 17.463 173 HA PHE 24 HA PHE 24 -4.608 6.389 17.114 174 1HB PHE 24 HB2 PHE 24 -5.445 6.790 14.841 175 2HB PHE 24 HB1 PHE 24 -5.731 5.119 15.311 176 HD1 PHE 24 HD1 PHE 24 -7.301 8.404 14.717 177 HD2 PHE 24 HD2 PHE 24 -7.972 4.277 15.651 178 HE1 PHE 24 HE1 PHE 24 -9.722 8.688 14.204 179 HE2 PHE 24 HE2 PHE 24 -10.388 4.553 15.156 180 HZ PHE 24 HZ PHE 24 -11.260 6.757 14.434 181 H PHE 25 HN PHE 25 -4.201 8.520 17.347 182 HA PHE 25 HA PHE 25 -6.129 10.248 18.628 183 1HB PHE 25 HB2 PHE 25 -3.368 10.733 17.481 184 2HB PHE 25 HB1 PHE 25 -4.221 11.837 18.561 185 HD1 PHE 25 HD1 PHE 25 -5.309 10.475 20.694 186 HD2 PHE 25 HD2 PHE 25 -1.769 9.396 18.513 187 HE1 PHE 25 HE1 PHE 25 -4.497 9.186 22.651 188 HE2 PHE 25 HE2 PHE 25 -0.957 8.108 20.471 189 HZ PHE 25 HZ PHE 25 -2.320 8.003 22.539 190 H TYR 26 HN TYR 26 -4.967 9.926 15.300 191 HA TYR 26 HA TYR 26 -5.629 11.018 13.311 192 1HB TYR 26 HB2 TYR 26 -7.822 10.179 14.154 193 2HB TYR 26 HB1 TYR 26 -8.042 11.685 15.036 194 HD1 TYR 26 HD1 TYR 26 -7.114 10.572 11.568 195 HD2 TYR 26 HD2 TYR 26 -9.335 13.313 14.017 196 HE1 TYR 26 HE1 TYR 26 -8.051 11.632 9.531 197 HE2 TYR 26 HE2 TYR 26 -10.272 14.375 11.982 198 HH TYR 26 HH TYR 26 -9.225 14.452 9.304 199 H THR 27 HN THR 27 -3.939 12.543 15.093 200 HA THR 27 HA THR 27 -5.004 15.264 15.237 201 HB THR 27 HB THR 27 -2.614 15.644 16.082 202 HG1 THR 27 HG1 THR 27 -1.436 13.777 16.445 203 1HG2 THR 27 HG21 THR 27 -4.308 15.349 17.718 204 2HG2 THR 27 HG22 THR 27 -3.064 14.175 18.147 205 3HG2 THR 27 HG23 THR 27 -4.520 13.648 17.304 206 HA PRO 28 HA PRO 28 -3.251 15.930 11.111 207 1HB PRO 28 HB2 PRO 28 -4.839 18.047 10.441 208 2HB PRO 28 HB1 PRO 28 -5.392 16.366 10.368 209 1HG PRO 28 HG2 PRO 28 -6.098 18.483 12.258 210 2HG PRO 28 HG1 PRO 28 -6.962 16.996 11.853 211 1HD PRO 28 HD2 PRO 28 -5.322 17.519 14.140 212 2HD PRO 28 HD1 PRO 28 -6.186 16.023 13.729 213 H LYS 29 HN LYS 29 -2.994 18.455 10.032 214 HA LYS 29 HA LYS 29 -0.709 19.551 11.376 215 1HB LYS 29 HB2 LYS 29 -2.499 20.529 9.130 216 2HB LYS 29 HB1 LYS 29 -0.976 21.302 9.570 217 1HG LYS 29 HG2 LYS 29 0.263 19.274 9.074 218 2HG LYS 29 HG1 LYS 29 -1.234 18.385 8.791 219 1HD LYS 29 HD2 LYS 29 -0.532 18.946 6.615 220 2HD LYS 29 HD1 LYS 29 -1.711 20.202 6.991 221 1HE LYS 29 HE2 LYS 29 -0.056 21.840 7.316 222 2HE LYS 29 HE1 LYS 29 1.211 20.634 7.614 223 1HZ LYS 29 HZ1 LYS 29 1.374 21.523 5.363 224 2HZ LYS 29 HZ2 LYS 29 -0.222 21.038 5.039 225 3HZ LYS 29 HZ3 LYS 29 0.981 19.874 5.331 226 H THR 30 HN THR 30 -4.128 20.291 11.486 227 HA THR 30 HA THR 30 -5.387 21.684 12.889 228 HB THR 30 HB THR 30 -2.744 22.412 14.166 229 HG1 THR 30 HG1 THR 30 -2.666 20.455 14.863 230 1HG2 THR 30 HG21 THR 30 -5.576 22.280 15.227 231 2HG2 THR 30 HG22 THR 30 -4.693 23.757 14.842 232 3HG2 THR 30 HG23 THR 30 -4.149 22.724 16.164 233 H ARG 31 HN ARG 31 -2.281 23.334 12.067 234 HA ARG 31 HA ARG 31 -1.896 25.481 11.172 235 1HB ARG 31 HB2 ARG 31 -4.642 24.895 10.029 236 2HB ARG 31 HB1 ARG 31 -3.531 26.123 9.429 237 1HG ARG 31 HG2 ARG 31 -1.862 24.377 8.929 238 2HG ARG 31 HG1 ARG 31 -2.974 23.143 9.526 239 1HD ARG 31 HD2 ARG 31 -3.223 23.186 7.123 240 2HD ARG 31 HD1 ARG 31 -4.647 24.017 7.781 241 HE ARG 31 HE ARG 31 -3.280 26.169 7.446 242 1HH1 ARG 31 HH21 ARG 31 -4.304 24.527 4.946 243 2HH1 ARG 31 HH22 ARG 31 -2.966 24.788 3.877 244 1HH2 ARG 31 HH11 ARG 31 -0.866 25.974 6.370 245 2HH2 ARG 31 HH12 ARG 31 -1.019 25.608 4.684 246 H ARG 32 HN ARG 32 -2.378 25.973 13.647 247 HA ARG 32 HA ARG 32 -3.247 27.493 15.222 248 1HB ARG 32 HB2 ARG 32 -2.491 28.999 13.391 249 2HB ARG 32 HB1 ARG 32 -4.080 28.887 12.646 250 1HG ARG 32 HG2 ARG 32 -5.102 29.898 14.650 251 2HG ARG 32 HG1 ARG 32 -3.515 29.989 15.417 252 1HD ARG 32 HD2 ARG 32 -2.715 31.465 13.583 253 2HD ARG 32 HD1 ARG 32 -4.328 31.405 12.847 254 HE ARG 32 HE ARG 32 -4.509 32.164 15.629 255 1HH1 ARG 32 HH21 ARG 32 -2.466 33.663 13.548 256 2HH1 ARG 32 HH22 ARG 32 -3.347 35.148 13.412 257 1HH2 ARG 32 HH11 ARG 32 -6.169 33.933 15.015 258 2HH2 ARG 32 HH12 ARG 32 -5.441 35.300 14.241 259 H TYR 33 HN TYR 33 -5.912 28.498 13.155 260 HA TYR 33 HA TYR 33 -7.803 27.197 15.014 261 1HB TYR 33 HB2 TYR 33 -7.867 29.310 12.878 262 2HB TYR 33 HB1 TYR 33 -9.379 28.568 13.396 263 HD1 TYR 33 HD1 TYR 33 -7.714 31.435 13.844 264 HD2 TYR 33 HD2 TYR 33 -9.057 28.135 16.248 265 HE1 TYR 33 HE1 TYR 33 -7.753 32.903 15.842 266 HE2 TYR 33 HE2 TYR 33 -9.091 29.604 18.244 267 HH TYR 33 HH TYR 33 -8.889 32.982 18.043 268 HA PRO 34 HA PRO 34 -8.193 24.079 11.761 269 1HB PRO 34 HB2 PRO 34 -9.207 22.091 13.330 270 2HB PRO 34 HB1 PRO 34 -7.480 22.489 13.281 271 1HG PRO 34 HG2 PRO 34 -9.469 23.029 15.374 272 2HG PRO 34 HG1 PRO 34 -7.713 22.875 15.495 273 1HD PRO 34 HD2 PRO 34 -9.235 25.269 15.462 274 2HD PRO 34 HD1 PRO 34 -7.467 25.114 15.436 275 H GLY 35 HN GLY 35 -10.127 26.048 11.720 276 1HA GLY 35 HA2 GLY 35 -12.603 24.471 11.314 277 2HA GLY 35 HA1 GLY 35 -12.704 25.887 12.364 278 H ASP 36 HN ASP 36 -13.221 27.758 11.370 279 HA ASP 36 HA ASP 36 -13.677 29.294 9.640 280 1HB ASP 36 HB2 ASP 36 -11.120 29.124 9.946 281 2HB ASP 36 HB1 ASP 36 -11.156 28.233 8.429 282 H VAL 37 HN VAL 37 -14.969 26.800 9.246 283 HA VAL 37 HA VAL 37 -15.949 25.411 7.582 284 HB VAL 37 HB VAL 37 -15.736 28.101 6.192 285 1HG1 VAL 37 HG11 VAL 37 -17.322 25.611 5.692 286 2HG1 VAL 37 HG12 VAL 37 -16.605 26.733 4.536 287 3HG1 VAL 37 HG13 VAL 37 -18.089 27.169 5.382 288 1HG2 VAL 37 HG21 VAL 37 -18.260 27.928 7.273 289 2HG2 VAL 37 HG22 VAL 37 -16.910 28.776 8.025 290 3HG2 VAL 37 HG23 VAL 37 -17.290 27.123 8.508 291 H LYS 38 HN LYS 38 -13.327 24.731 7.474 292 HA LYS 38 HA LYS 38 -12.909 24.129 4.634 293 1HB LYS 38 HB2 LYS 38 -10.667 25.229 4.585 294 2HB LYS 38 HB1 LYS 38 -11.974 26.390 4.813 295 1HG LYS 38 HG2 LYS 38 -11.517 26.600 7.138 296 2HG LYS 38 HG1 LYS 38 -10.456 25.190 7.137 297 1HD LYS 38 HD2 LYS 38 -8.994 27.067 7.137 298 2HD LYS 38 HD1 LYS 38 -9.001 26.492 5.470 299 1HE LYS 38 HE2 LYS 38 -11.172 28.372 5.827 300 2HE LYS 38 HE1 LYS 38 -9.651 29.103 6.375 301 1HZ LYS 38 HZ1 LYS 38 -8.635 28.153 4.296 302 2HZ LYS 38 HZ2 LYS 38 -9.731 29.428 4.050 303 3HZ LYS 38 HZ3 LYS 38 -10.209 27.824 3.757 304 H ARG 39 HN ARG 39 -11.090 22.561 4.376 305 HA ARG 39 HA ARG 39 -9.991 21.382 6.844 306 1HB ARG 39 HB2 ARG 39 -11.937 20.063 4.949 307 2HB ARG 39 HB1 ARG 39 -10.859 19.107 5.960 308 1HG ARG 39 HG2 ARG 39 -12.798 21.180 7.033 309 2HG ARG 39 HG1 ARG 39 -13.129 19.456 6.963 310 1HD ARG 39 HD2 ARG 39 -11.188 18.993 8.412 311 2HD ARG 39 HD1 ARG 39 -10.825 20.727 8.486 312 HE ARG 39 HE ARG 39 -12.624 20.980 9.988 313 1HH1 ARG 39 HH21 ARG 39 -12.266 17.721 9.497 314 2HH1 ARG 39 HH22 ARG 39 -13.919 17.297 9.795 315 1HH2 ARG 39 HH11 ARG 39 -15.034 20.579 9.827 316 2HH2 ARG 39 HH12 ARG 39 -15.485 18.914 9.981 317 H GLY 40 HN GLY 40 -10.355 20.895 3.326 318 1HA GLY 40 HA2 GLY 40 -8.534 20.866 1.749 319 2HA GLY 40 HA1 GLY 40 -7.409 20.650 3.091 320 H ILE 41 HN ILE 41 -8.322 18.490 4.419 321 HA ILE 41 HA ILE 41 -7.519 16.245 2.843 322 HB ILE 41 HB ILE 41 -9.178 16.458 5.385 323 1HG1 ILE 41 HG12 ILE 41 -6.210 15.924 5.062 324 2HG1 ILE 41 HG11 ILE 41 -6.870 17.532 5.348 325 1HG2 ILE 41 HG21 ILE 41 -7.473 14.090 5.054 326 2HG2 ILE 41 HG22 ILE 41 -8.757 14.177 3.850 327 3HG2 ILE 41 HG23 ILE 41 -9.156 14.199 5.566 328 1HD1 ILE 41 HD11 ILE 41 -7.026 17.114 7.553 329 2HD1 ILE 41 HD12 ILE 41 -6.260 15.550 7.281 330 3HD1 ILE 41 HD13 ILE 41 -8.017 15.687 7.246 331 H VAL 42 HN VAL 42 -10.746 17.364 3.840 332 HA VAL 42 HA VAL 42 -12.296 15.335 2.560 333 HB VAL 42 HB VAL 42 -12.856 18.216 3.239 334 1HG1 VAL 42 HG11 VAL 42 -14.489 17.229 1.602 335 2HG1 VAL 42 HG12 VAL 42 -15.214 17.676 3.146 336 3HG1 VAL 42 HG13 VAL 42 -14.852 15.985 2.798 337 1HG2 VAL 42 HG21 VAL 42 -14.129 16.790 5.123 338 2HG2 VAL 42 HG22 VAL 42 -12.445 17.283 5.297 339 3HG2 VAL 42 HG23 VAL 42 -12.834 15.653 4.746 340 H GLU 43 HN GLU 43 -11.199 18.517 1.421 341 HA GLU 43 HA GLU 43 -12.525 18.568 -1.087 342 1HB GLU 43 HB2 GLU 43 -9.913 19.724 -0.085 343 2HB GLU 43 HB1 GLU 43 -10.606 20.146 -1.652 344 1HG GLU 43 HG2 GLU 43 -12.104 20.417 0.966 345 2HG GLU 43 HG1 GLU 43 -11.215 21.741 0.208 346 H GLN 44 HN GLN 44 -9.395 17.193 -0.147 347 HA GLN 44 HA GLN 44 -8.408 16.526 -2.730 348 1HB GLN 44 HB2 GLN 44 -7.131 16.497 -0.613 349 2HB GLN 44 HB1 GLN 44 -8.087 15.124 -0.055 350 1HG GLN 44 HG2 GLN 44 -7.269 13.775 -1.950 351 2HG GLN 44 HG1 GLN 44 -6.312 15.145 -2.513 352 1HE2 GLN 44 HE21 GLN 44 -4.904 12.838 -1.924 353 2HE2 GLN 44 HE22 GLN 44 -4.043 13.017 -0.472 354 H CYS 45 HN CYS 45 -10.476 14.620 -0.498 355 HA CYS 45 HA CYS 45 -10.700 12.416 -2.437 356 1HB CYS 45 HB2 CYS 45 -12.090 12.980 0.203 357 2HB CYS 45 HB1 CYS 45 -12.130 11.445 -0.660 358 H CYS 46 HN CYS 46 -12.571 15.221 -1.435 359 HA CYS 46 HA CYS 46 -15.126 14.520 -2.506 360 1HB CYS 46 HB2 CYS 46 -13.618 16.937 -1.703 361 2HB CYS 46 HB1 CYS 46 -14.920 17.231 -2.851 362 H THR 47 HN THR 47 -12.350 16.186 -4.018 363 HA THR 47 HA THR 47 -13.658 16.472 -6.605 364 HB THR 47 HB THR 47 -11.247 17.099 -7.227 365 HG1 THR 47 HG1 THR 47 -9.976 17.437 -5.263 366 1HG2 THR 47 HG21 THR 47 -12.854 18.401 -5.041 367 2HG2 THR 47 HG22 THR 47 -12.654 18.906 -6.719 368 3HG2 THR 47 HG23 THR 47 -11.329 19.108 -5.573 369 H SER 48 HN SER 48 -11.280 14.201 -5.229 370 HA SER 48 HA SER 48 -11.755 12.408 -7.583 371 1HB SER 48 HB2 SER 48 -9.111 13.139 -6.282 372 2HB SER 48 HB1 SER 48 -9.308 11.963 -7.578 373 HG SER 48 HG SER 48 -8.724 14.157 -8.229 374 H ILE 49 HN ILE 49 -11.323 10.125 -7.092 375 HA ILE 49 HA ILE 49 -12.167 9.336 -4.423 376 HB ILE 49 HB ILE 49 -11.024 7.770 -6.768 377 1HG1 ILE 49 HG12 ILE 49 -13.918 8.179 -5.968 378 2HG1 ILE 49 HG11 ILE 49 -13.108 9.163 -7.187 379 1HG2 ILE 49 HG21 ILE 49 -11.338 6.838 -4.223 380 2HG2 ILE 49 HG22 ILE 49 -11.517 5.833 -5.659 381 3HG2 ILE 49 HG23 ILE 49 -12.942 6.521 -4.882 382 1HD1 ILE 49 HD11 ILE 49 -12.937 7.402 -8.690 383 2HD1 ILE 49 HD12 ILE 49 -14.455 6.994 -7.892 384 3HD1 ILE 49 HD13 ILE 49 -12.964 6.179 -7.420 385 H CYS 50 HN CYS 50 -10.829 9.127 -2.679 386 HA CYS 50 HA CYS 50 -7.924 9.331 -2.966 387 1HB CYS 50 HB2 CYS 50 -9.926 9.094 -0.727 388 2HB CYS 50 HB1 CYS 50 -8.199 8.963 -0.392 389 H SER 51 HN SER 51 -6.411 7.705 -2.485 390 HA SER 51 HA SER 51 -7.295 4.945 -2.931 391 1HB SER 51 HB2 SER 51 -4.864 4.549 -2.954 392 2HB SER 51 HB1 SER 51 -5.261 5.959 -3.930 393 HG SER 51 HG SER 51 -3.508 6.351 -2.507 394 H LEU 52 HN LEU 52 -6.914 3.218 -1.439 395 HA LEU 52 HA LEU 52 -7.599 3.671 1.277 396 1HB LEU 52 HB2 LEU 52 -7.911 1.562 0.024 397 2HB LEU 52 HB1 LEU 52 -6.162 1.347 -0.050 398 HG LEU 52 HG LEU 52 -6.158 1.407 2.490 399 1HD1 LEU 52 HD11 LEU 52 -8.526 0.657 3.357 400 2HD1 LEU 52 HD12 LEU 52 -9.105 1.482 1.910 401 3HD1 LEU 52 HD13 LEU 52 -8.188 2.372 3.125 402 1HD2 LEU 52 HD21 LEU 52 -5.880 -0.743 1.620 403 2HD2 LEU 52 HD22 LEU 52 -7.456 -0.736 0.830 404 3HD2 LEU 52 HD23 LEU 52 -7.347 -0.942 2.578 405 H TYR 53 HN TYR 53 -4.439 3.257 -0.285 406 HA TYR 53 HA TYR 53 -2.801 2.975 2.009 407 1HB TYR 53 HB2 TYR 53 -2.113 2.608 -0.322 408 2HB TYR 53 HB1 TYR 53 -2.269 4.331 -0.629 409 HD1 TYR 53 HD1 TYR 53 -0.681 5.945 0.307 410 HD2 TYR 53 HD2 TYR 53 -0.254 1.728 1.002 411 HE1 TYR 53 HE1 TYR 53 1.634 6.313 1.113 412 HE2 TYR 53 HE2 TYR 53 2.063 2.096 1.809 413 HH TYR 53 HH TYR 53 3.262 5.134 2.621 414 H GLN 54 HN GLN 54 -3.910 5.972 0.385 415 HA GLN 54 HA GLN 54 -2.361 7.759 2.026 416 1HB GLN 54 HB2 GLN 54 -4.889 8.067 0.387 417 2HB GLN 54 HB1 GLN 54 -4.071 9.429 1.153 418 1HG GLN 54 HG2 GLN 54 -1.990 8.843 -0.075 419 2HG GLN 54 HG1 GLN 54 -2.857 7.536 -0.883 420 1HE2 GLN 54 HE21 GLN 54 -2.914 8.393 -3.027 421 2HE2 GLN 54 HE22 GLN 54 -3.677 9.857 -3.422 422 H LEU 55 HN LEU 55 -5.681 6.476 2.326 423 HA LEU 55 HA LEU 55 -6.512 8.036 4.572 424 1HB LEU 55 HB2 LEU 55 -7.160 5.217 3.649 425 2HB LEU 55 HB1 LEU 55 -8.074 6.073 4.892 426 HG LEU 55 HG LEU 55 -7.624 7.185 2.113 427 1HD1 LEU 55 HD11 LEU 55 -9.867 6.425 1.565 428 2HD1 LEU 55 HD12 LEU 55 -10.080 5.765 3.187 429 3HD1 LEU 55 HD13 LEU 55 -8.914 5.035 2.083 430 1HD2 LEU 55 HD21 LEU 55 -9.781 8.437 2.915 431 2HD2 LEU 55 HD22 LEU 55 -8.215 8.962 3.532 432 3HD2 LEU 55 HD23 LEU 55 -9.259 7.946 4.526 433 H GLU 56 HN GLU 56 -4.765 4.947 4.371 434 HA GLU 56 HA GLU 56 -4.640 4.330 7.155 435 1HB GLU 56 HB2 GLU 56 -2.824 3.754 4.798 436 2HB GLU 56 HB1 GLU 56 -2.599 3.015 6.385 437 1HG GLU 56 HG2 GLU 56 -4.883 2.093 6.288 438 2HG GLU 56 HG1 GLU 56 -5.120 2.833 4.707 439 H ASN 57 HN ASN 57 -2.509 6.308 5.094 440 HA ASN 57 HA ASN 57 -0.436 6.805 6.997 441 1HB ASN 57 HB2 ASN 57 -0.358 7.301 4.567 442 2HB ASN 57 HB1 ASN 57 -1.565 8.568 4.792 443 1HD2 ASN 57 HD21 ASN 57 0.023 10.195 4.044 444 2HD2 ASN 57 HD22 ASN 57 1.279 10.703 5.066 445 H TYR 58 HN TYR 58 -3.421 8.638 6.287 446 HA TYR 58 HA TYR 58 -3.051 10.710 8.225 447 1HB TYR 58 HB2 TYR 58 -5.458 9.444 6.901 448 2HB TYR 58 HB1 TYR 58 -5.596 10.836 7.976 449 HD1 TYR 58 HD1 TYR 58 -3.541 12.632 7.437 450 HD2 TYR 58 HD2 TYR 58 -5.481 10.013 4.637 451 HE1 TYR 58 HE1 TYR 58 -2.896 14.142 5.578 452 HE2 TYR 58 HE2 TYR 58 -4.834 11.524 2.778 453 HH TYR 58 HH TYR 58 -3.926 14.603 3.143 454 H CYS 59 HN CYS 59 -4.363 7.435 8.486 455 HA CYS 59 HA CYS 59 -5.266 7.870 11.270 456 1HB CYS 59 HB2 CYS 59 -6.424 6.472 9.461 457 2HB CYS 59 HB1 CYS 59 -5.115 5.307 9.652 458 H ASN 60 HN ASN 60 -2.758 8.461 11.538 459 HA ASN 60 HA ASN 60 -0.817 6.334 11.668 460 1HB ASN 60 HB2 ASN 60 -1.030 8.996 13.117 461 2HB ASN 60 HB1 ASN 60 0.436 8.022 13.012 462 1HD2 ASN 60 HD21 ASN 60 1.009 7.414 10.583 463 2HD2 ASN 60 HD22 ASN 60 0.843 8.674 9.458 Start of MODEL 2 1 1H PHE 1 HT1 PHE 1 -23.015 -3.996 -6.325 2 2H PHE 1 HT2 PHE 1 -23.224 -2.824 -7.538 3 3H PHE 1 HT3 PHE 1 -23.494 -2.423 -5.909 4 HA PHE 1 HA PHE 1 -21.149 -2.721 -5.403 5 1HB PHE 1 HB2 PHE 1 -20.918 -4.558 -7.062 6 2HB PHE 1 HB1 PHE 1 -21.037 -3.377 -8.367 7 HD1 PHE 1 HD1 PHE 1 -18.927 -4.692 -5.655 8 HD2 PHE 1 HD2 PHE 1 -19.233 -1.777 -8.794 9 HE1 PHE 1 HE1 PHE 1 -16.496 -4.237 -5.469 10 HE2 PHE 1 HE2 PHE 1 -16.803 -1.323 -8.611 11 HZ PHE 1 HZ PHE 1 -15.434 -2.553 -6.948 12 H VAL 2 HN VAL 2 -21.223 -0.491 -4.992 13 HA VAL 2 HA VAL 2 -20.847 1.302 -7.321 14 HB VAL 2 HB VAL 2 -22.261 2.920 -6.093 15 1HG1 VAL 2 HG11 VAL 2 -23.759 0.310 -6.195 16 2HG1 VAL 2 HG12 VAL 2 -23.174 1.077 -7.671 17 3HG1 VAL 2 HG13 VAL 2 -24.326 1.920 -6.636 18 1HG2 VAL 2 HG21 VAL 2 -21.765 2.139 -3.807 19 2HG2 VAL 2 HG22 VAL 2 -22.627 0.635 -4.134 20 3HG2 VAL 2 HG23 VAL 2 -23.504 2.165 -4.096 21 H ASN 3 HN ASN 3 -19.643 3.294 -6.768 22 HA ASN 3 HA ASN 3 -18.188 3.331 -4.188 23 1HB ASN 3 HB2 ASN 3 -16.997 1.774 -5.776 24 2HB ASN 3 HB1 ASN 3 -16.771 3.140 -6.867 25 1HD2 ASN 3 HD21 ASN 3 -14.373 2.584 -6.410 26 2HD2 ASN 3 HD22 ASN 3 -13.656 3.299 -5.047 27 H GLN 4 HN GLN 4 -19.483 5.333 -4.121 28 HA GLN 4 HA GLN 4 -18.912 7.479 -6.044 29 1HB GLN 4 HB2 GLN 4 -20.407 7.385 -3.398 30 2HB GLN 4 HB1 GLN 4 -20.466 8.718 -4.551 31 1HG GLN 4 HG2 GLN 4 -21.264 5.868 -5.219 32 2HG GLN 4 HG1 GLN 4 -22.407 7.127 -4.750 33 1HE2 GLN 4 HE21 GLN 4 -21.832 5.645 -7.434 34 2HE2 GLN 4 HE22 GLN 4 -21.720 6.909 -8.562 35 H HIS 5 HN HIS 5 -18.526 9.718 -4.654 36 HA HIS 5 HA HIS 5 -15.782 9.543 -3.708 37 1HB HIS 5 HB2 HIS 5 -17.896 11.712 -3.816 38 2HB HIS 5 HB1 HIS 5 -16.241 12.015 -3.287 39 HD1 HIS 5 HD1 HIS 5 -14.350 11.798 -5.077 40 HD2 HIS 5 HD2 HIS 5 -18.194 11.273 -6.602 41 HE1 HIS 5 HE1 HIS 5 -14.139 11.893 -7.599 42 H LEU 6 HN LEU 6 -15.038 9.650 -1.571 43 HA LEU 6 HA LEU 6 -16.971 9.038 0.545 44 1HB LEU 6 HB2 LEU 6 -13.959 9.202 0.324 45 2HB LEU 6 HB1 LEU 6 -14.777 8.823 1.842 46 HG LEU 6 HG LEU 6 -15.313 7.295 -0.709 47 1HD1 LEU 6 HD11 LEU 6 -13.605 6.180 1.480 48 2HD1 LEU 6 HD12 LEU 6 -12.859 7.280 0.321 49 3HD1 LEU 6 HD13 LEU 6 -13.616 5.790 -0.239 50 1HD2 LEU 6 HD21 LEU 6 -17.049 6.913 0.836 51 2HD2 LEU 6 HD22 LEU 6 -15.954 6.973 2.217 52 3HD2 LEU 6 HD23 LEU 6 -15.942 5.575 1.143 53 H CYS 7 HN CYS 7 -18.069 10.914 1.115 54 HA CYS 7 HA CYS 7 -16.490 13.046 2.450 55 1HB CYS 7 HB2 CYS 7 -16.993 13.391 -0.125 56 2HB CYS 7 HB1 CYS 7 -18.610 13.798 0.447 57 H GLY 8 HN GLY 8 -18.261 14.710 3.358 58 1HA GLY 8 HA2 GLY 8 -20.016 15.020 4.864 59 2HA GLY 8 HA1 GLY 8 -20.951 14.011 3.761 60 H SER 9 HN SER 9 -22.018 12.713 5.287 61 HA SER 9 HA SER 9 -20.714 11.611 7.633 62 1HB SER 9 HB2 SER 9 -23.323 11.243 6.181 63 2HB SER 9 HB1 SER 9 -22.909 10.196 7.536 64 HG SER 9 HG SER 9 -23.549 11.789 8.738 65 H HIS 10 HN HIS 10 -21.136 10.492 4.325 66 HA HIS 10 HA HIS 10 -20.743 7.687 4.720 67 1HB HIS 10 HB2 HIS 10 -21.471 9.020 2.646 68 2HB HIS 10 HB1 HIS 10 -19.756 9.331 2.376 69 HD1 HIS 10 HD1 HIS 10 -21.497 6.133 3.502 70 HD2 HIS 10 HD2 HIS 10 -19.062 7.504 0.409 71 HE1 HIS 10 HE1 HIS 10 -20.972 4.119 2.059 72 H LEU 11 HN LEU 11 -18.428 10.347 4.262 73 HA LEU 11 HA LEU 11 -16.027 8.816 4.081 74 1HB LEU 11 HB2 LEU 11 -16.263 11.226 3.575 75 2HB LEU 11 HB1 LEU 11 -16.570 11.558 5.278 76 HG LEU 11 HG LEU 11 -14.318 10.631 5.828 77 1HD1 LEU 11 HD11 LEU 11 -12.723 10.259 3.980 78 2HD1 LEU 11 HD12 LEU 11 -14.006 10.566 2.810 79 3HD1 LEU 11 HD13 LEU 11 -14.091 9.154 3.862 80 1HD2 LEU 11 HD21 LEU 11 -13.139 12.540 4.265 81 2HD2 LEU 11 HD22 LEU 11 -14.034 12.898 5.741 82 3HD2 LEU 11 HD23 LEU 11 -14.829 13.038 4.174 83 H VAL 12 HN VAL 12 -17.797 10.072 6.910 84 HA VAL 12 HA VAL 12 -15.903 9.405 8.940 85 HB VAL 12 HB VAL 12 -18.940 9.546 8.919 86 1HG1 VAL 12 HG11 VAL 12 -18.746 9.930 11.363 87 2HG1 VAL 12 HG12 VAL 12 -17.014 9.613 11.264 88 3HG1 VAL 12 HG13 VAL 12 -18.167 8.328 10.906 89 1HG2 VAL 12 HG21 VAL 12 -18.677 11.782 8.849 90 2HG2 VAL 12 HG22 VAL 12 -16.951 11.539 8.588 91 3HG2 VAL 12 HG23 VAL 12 -17.575 11.739 10.225 92 H GLU 13 HN GLU 13 -18.719 7.559 7.747 93 HA GLU 13 HA GLU 13 -18.375 5.255 9.366 94 1HB GLU 13 HB2 GLU 13 -20.377 5.859 8.017 95 2HB GLU 13 HB1 GLU 13 -19.473 5.484 6.549 96 1HG GLU 13 HG2 GLU 13 -19.162 3.163 7.327 97 2HG GLU 13 HG1 GLU 13 -20.065 3.532 8.794 98 H ALA 14 HN ALA 14 -17.066 6.015 6.153 99 HA ALA 14 HA ALA 14 -15.844 3.521 5.578 100 1HB ALA 14 HB1 ALA 14 -14.329 5.101 4.169 101 2HB ALA 14 HB2 ALA 14 -15.356 6.389 4.799 102 3HB ALA 14 HB3 ALA 14 -16.060 5.092 3.835 103 H LEU 15 HN LEU 15 -14.382 6.439 7.077 104 HA LEU 15 HA LEU 15 -11.780 5.362 7.484 105 1HB LEU 15 HB2 LEU 15 -13.418 7.452 8.937 106 2HB LEU 15 HB1 LEU 15 -11.709 7.172 9.274 107 HG LEU 15 HG LEU 15 -12.787 7.782 6.512 108 1HD1 LEU 15 HD11 LEU 15 -11.847 9.566 8.733 109 2HD1 LEU 15 HD12 LEU 15 -13.182 9.802 7.606 110 3HD1 LEU 15 HD13 LEU 15 -11.519 10.019 7.061 111 1HD2 LEU 15 HD21 LEU 15 -10.303 8.403 6.230 112 2HD2 LEU 15 HD22 LEU 15 -10.684 6.685 6.345 113 3HD2 LEU 15 HD23 LEU 15 -10.040 7.542 7.746 114 H TYR 16 HN TYR 16 -14.529 5.486 9.799 115 HA TYR 16 HA TYR 16 -13.225 4.152 11.950 116 1HB TYR 16 HB2 TYR 16 -16.002 4.742 11.061 117 2HB TYR 16 HB1 TYR 16 -15.828 3.476 12.277 118 HD1 TYR 16 HD1 TYR 16 -14.924 3.959 14.488 119 HD2 TYR 16 HD2 TYR 16 -15.358 7.061 11.549 120 HE1 TYR 16 HE1 TYR 16 -14.593 5.672 16.249 121 HE2 TYR 16 HE2 TYR 16 -15.025 8.776 13.311 122 HH TYR 16 HH TYR 16 -13.710 8.635 15.786 123 H LEU 17 HN LEU 17 -15.345 2.758 9.409 124 HA LEU 17 HA LEU 17 -15.038 0.052 10.303 125 1HB LEU 17 HB2 LEU 17 -16.162 1.539 8.029 126 2HB LEU 17 HB1 LEU 17 -15.759 -0.141 7.694 127 HG LEU 17 HG LEU 17 -17.056 -0.779 9.760 128 1HD1 LEU 17 HD11 LEU 17 -18.792 1.377 10.066 129 2HD1 LEU 17 HD12 LEU 17 -17.207 2.142 9.954 130 3HD1 LEU 17 HD13 LEU 17 -17.510 0.918 11.186 131 1HD2 LEU 17 HD21 LEU 17 -19.290 -0.390 8.698 132 2HD2 LEU 17 HD22 LEU 17 -18.085 -0.990 7.558 133 3HD2 LEU 17 HD23 LEU 17 -18.519 0.719 7.563 134 H VAL 18 HN VAL 18 -13.382 1.934 7.759 135 HA VAL 18 HA VAL 18 -11.778 -0.267 6.803 136 HB VAL 18 HB VAL 18 -11.546 2.727 6.622 137 1HG1 VAL 18 HG11 VAL 18 -9.439 2.326 5.869 138 2HG1 VAL 18 HG12 VAL 18 -10.235 1.714 4.420 139 3HG1 VAL 18 HG13 VAL 18 -9.741 0.598 5.693 140 1HG2 VAL 18 HG21 VAL 18 -12.568 2.441 4.442 141 2HG2 VAL 18 HG22 VAL 18 -13.565 1.601 5.630 142 3HG2 VAL 18 HG23 VAL 18 -12.475 0.686 4.590 143 H CYS 19 HN CYS 19 -10.995 2.495 8.940 144 HA CYS 19 HA CYS 19 -8.338 1.487 9.566 145 1HB CYS 19 HB2 CYS 19 -10.092 3.593 10.814 146 2HB CYS 19 HB1 CYS 19 -8.388 3.375 11.182 147 H GLY 20 HN GLY 20 -11.277 1.902 11.571 148 1HA GLY 20 HA2 GLY 20 -12.041 0.702 13.427 149 2HA GLY 20 HA1 GLY 20 -11.140 -0.666 12.781 150 H GLU 21 HN GLU 21 -9.412 2.283 13.459 151 HA GLU 21 HA GLU 21 -8.434 1.178 16.034 152 1HB GLU 21 HB2 GLU 21 -6.837 1.988 13.593 153 2HB GLU 21 HB1 GLU 21 -6.110 1.708 15.176 154 1HG GLU 21 HG2 GLU 21 -6.992 -0.592 15.187 155 2HG GLU 21 HG1 GLU 21 -7.741 -0.318 13.616 156 H ARG 22 HN ARG 22 -7.613 2.787 17.462 157 HA ARG 22 HA ARG 22 -8.484 5.545 16.860 158 1HB ARG 22 HB2 ARG 22 -7.672 4.018 19.347 159 2HB ARG 22 HB1 ARG 22 -8.068 5.737 19.368 160 1HG ARG 22 HG2 ARG 22 -10.308 5.312 18.590 161 2HG ARG 22 HG1 ARG 22 -9.937 3.616 18.280 162 1HD ARG 22 HD2 ARG 22 -11.141 3.723 20.385 163 2HD ARG 22 HD1 ARG 22 -9.445 3.386 20.776 164 HE ARG 22 HE ARG 22 -9.726 6.205 20.681 165 1HH1 ARG 22 HH21 ARG 22 -11.799 4.020 22.233 166 2HH1 ARG 22 HH22 ARG 22 -11.588 4.693 23.814 167 1HH2 ARG 22 HH11 ARG 22 -9.078 6.879 22.849 168 2HH2 ARG 22 HH12 ARG 22 -10.054 6.309 24.162 169 H GLY 23 HN GLY 23 -5.815 4.057 16.013 170 1HA GLY 23 HA2 GLY 23 -3.631 5.251 17.364 171 2HA GLY 23 HA1 GLY 23 -3.579 4.654 15.710 172 H PHE 24 HN PHE 24 -5.504 6.467 14.572 173 HA PHE 24 HA PHE 24 -3.769 8.780 14.224 174 1HB PHE 24 HB2 PHE 24 -5.516 9.463 12.604 175 2HB PHE 24 HB1 PHE 24 -5.023 7.792 12.373 176 HD1 PHE 24 HD1 PHE 24 -7.690 9.989 13.730 177 HD2 PHE 24 HD2 PHE 24 -6.568 5.978 12.681 178 HE1 PHE 24 HE1 PHE 24 -10.059 9.275 13.921 179 HE2 PHE 24 HE2 PHE 24 -8.934 5.264 12.884 180 HZ PHE 24 HZ PHE 24 -10.678 6.912 13.503 181 H PHE 25 HN PHE 25 -3.857 10.679 15.271 182 HA PHE 25 HA PHE 25 -5.740 11.113 17.443 183 1HB PHE 25 HB2 PHE 25 -3.604 12.875 16.196 184 2HB PHE 25 HB1 PHE 25 -4.369 13.150 17.761 185 HD1 PHE 25 HD1 PHE 25 -4.418 10.767 19.208 186 HD2 PHE 25 HD2 PHE 25 -1.462 12.002 16.346 187 HE1 PHE 25 HE1 PHE 25 -2.757 9.262 20.272 188 HE2 PHE 25 HE2 PHE 25 0.198 10.499 17.411 189 HZ PHE 25 HZ PHE 25 -0.450 9.129 19.373 190 H TYR 26 HN TYR 26 -5.165 12.480 14.225 191 HA TYR 26 HA TYR 26 -6.460 13.900 12.865 192 1HB TYR 26 HB2 TYR 26 -8.106 11.958 14.086 193 2HB TYR 26 HB1 TYR 26 -8.994 13.472 14.234 194 HD1 TYR 26 HD1 TYR 26 -9.096 10.769 12.307 195 HD2 TYR 26 HD2 TYR 26 -8.221 14.946 11.811 196 HE1 TYR 26 HE1 TYR 26 -9.730 10.615 9.920 197 HE2 TYR 26 HE2 TYR 26 -8.861 14.790 9.421 198 HH TYR 26 HH TYR 26 -9.250 11.843 7.811 199 H THR 27 HN THR 27 -5.172 15.194 15.022 200 HA THR 27 HA THR 27 -7.048 16.876 16.464 201 HB THR 27 HB THR 27 -4.786 16.088 17.258 202 HG1 THR 27 HG1 THR 27 -4.992 17.725 18.514 203 1HG2 THR 27 HG21 THR 27 -2.802 17.360 16.479 204 2HG2 THR 27 HG22 THR 27 -3.803 18.148 15.260 205 3HG2 THR 27 HG23 THR 27 -3.522 16.409 15.179 206 HA PRO 28 HA PRO 28 -7.518 19.915 13.284 207 1HB PRO 28 HB2 PRO 28 -8.241 22.085 14.792 208 2HB PRO 28 HB1 PRO 28 -9.337 20.734 14.440 209 1HG PRO 28 HG2 PRO 28 -7.765 21.301 16.902 210 2HG PRO 28 HG1 PRO 28 -9.405 20.657 16.732 211 1HD PRO 28 HD2 PRO 28 -7.238 19.104 17.286 212 2HD PRO 28 HD1 PRO 28 -8.673 18.509 16.422 213 H LYS 29 HN LYS 29 -6.306 21.596 12.334 214 HA LYS 29 HA LYS 29 -3.602 21.960 13.237 215 1HB LYS 29 HB2 LYS 29 -5.326 23.287 11.129 216 2HB LYS 29 HB1 LYS 29 -3.594 23.581 11.291 217 1HG LYS 29 HG2 LYS 29 -3.148 21.176 10.993 218 2HG LYS 29 HG1 LYS 29 -4.878 20.873 10.831 219 1HD LYS 29 HD2 LYS 29 -3.434 22.822 9.030 220 2HD LYS 29 HD1 LYS 29 -3.531 21.103 8.649 221 1HE LYS 29 HE2 LYS 29 -5.970 21.188 8.638 222 2HE LYS 29 HE1 LYS 29 -5.942 22.883 9.166 223 1HZ LYS 29 HZ1 LYS 29 -4.584 23.389 7.190 224 2HZ LYS 29 HZ2 LYS 29 -6.130 22.815 6.781 225 3HZ LYS 29 HZ3 LYS 29 -4.779 21.791 6.658 226 H THR 30 HN THR 30 -6.462 24.060 13.295 227 HA THR 30 HA THR 30 -6.989 25.964 14.550 228 HB THR 30 HB THR 30 -4.433 25.393 16.057 229 HG1 THR 30 HG1 THR 30 -5.389 23.497 16.230 230 1HG2 THR 30 HG21 THR 30 -6.117 26.153 17.933 231 2HG2 THR 30 HG22 THR 30 -6.985 26.874 16.578 232 3HG2 THR 30 HG23 THR 30 -5.325 27.360 16.921 233 H ARG 31 HN ARG 31 -3.415 25.947 14.366 234 HA ARG 31 HA ARG 31 -1.911 27.624 13.634 235 1HB ARG 31 HB2 ARG 31 -4.193 27.864 11.641 236 2HB ARG 31 HB1 ARG 31 -2.556 28.465 11.376 237 1HG ARG 31 HG2 ARG 31 -3.168 25.571 12.013 238 2HG ARG 31 HG1 ARG 31 -3.008 26.190 10.369 239 1HD ARG 31 HD2 ARG 31 -0.714 27.041 10.976 240 2HD ARG 31 HD1 ARG 31 -0.876 26.205 12.532 241 HE ARG 31 HE ARG 31 -1.538 24.345 10.485 242 1HH1 ARG 31 HH21 ARG 31 0.957 25.347 12.513 243 2HH1 ARG 31 HH22 ARG 31 2.222 24.555 11.634 244 1HH2 ARG 31 HH11 ARG 31 0.184 23.657 8.978 245 2HH2 ARG 31 HH12 ARG 31 1.784 23.601 9.637 246 H ARG 32 HN ARG 32 -2.947 30.144 12.214 247 HA ARG 32 HA ARG 32 -3.009 31.905 14.430 248 1HB ARG 32 HB2 ARG 32 -3.904 32.158 11.548 249 2HB ARG 32 HB1 ARG 32 -3.850 33.532 12.654 250 1HG ARG 32 HG2 ARG 32 -1.443 33.099 13.057 251 2HG ARG 32 HG1 ARG 32 -1.501 31.755 11.917 252 1HD ARG 32 HD2 ARG 32 -2.279 34.587 11.146 253 2HD ARG 32 HD1 ARG 32 -0.645 33.934 10.922 254 HE ARG 32 HE ARG 32 -3.044 32.577 9.751 255 1HH1 ARG 32 HH21 ARG 32 0.215 32.216 9.879 256 2HH1 ARG 32 HH22 ARG 32 0.511 32.331 8.177 257 1HH2 ARG 32 HH11 ARG 32 -2.696 33.409 7.420 258 2HH2 ARG 32 HH12 ARG 32 -1.137 33.003 6.784 259 H TYR 33 HN TYR 33 -5.615 30.259 12.708 260 HA TYR 33 HA TYR 33 -7.762 31.814 13.924 261 1HB TYR 33 HB2 TYR 33 -7.379 29.530 12.093 262 2HB TYR 33 HB1 TYR 33 -8.840 29.424 13.074 263 HD1 TYR 33 HD1 TYR 33 -6.956 32.177 11.332 264 HD2 TYR 33 HD2 TYR 33 -10.736 30.259 12.028 265 HE1 TYR 33 HE1 TYR 33 -8.071 33.842 9.870 266 HE2 TYR 33 HE2 TYR 33 -11.850 31.920 10.567 267 HH TYR 33 HH TYR 33 -11.497 33.566 9.018 268 HA PRO 34 HA PRO 34 -7.811 29.694 17.802 269 1HB PRO 34 HB2 PRO 34 -10.406 30.127 18.555 270 2HB PRO 34 HB1 PRO 34 -9.159 31.390 18.604 271 1HG PRO 34 HG2 PRO 34 -11.283 30.905 16.575 272 2HG PRO 34 HG1 PRO 34 -10.677 32.434 17.232 273 1HD PRO 34 HD2 PRO 34 -9.951 31.466 14.796 274 2HD PRO 34 HD1 PRO 34 -8.904 32.506 15.785 275 H GLY 35 HN GLY 35 -10.686 29.098 15.757 276 1HA GLY 35 HA2 GLY 35 -10.951 26.380 16.873 277 2HA GLY 35 HA1 GLY 35 -12.054 27.137 15.723 278 H ASP 36 HN ASP 36 -11.905 26.466 13.656 279 HA ASP 36 HA ASP 36 -9.348 25.699 12.442 280 1HB ASP 36 HB2 ASP 36 -10.111 23.754 13.861 281 2HB ASP 36 HB1 ASP 36 -11.512 23.641 12.805 282 H VAL 37 HN VAL 37 -9.509 26.345 10.328 283 HA VAL 37 HA VAL 37 -12.014 27.202 9.176 284 HB VAL 37 HB VAL 37 -9.298 26.645 7.932 285 1HG1 VAL 37 HG11 VAL 37 -10.131 28.469 6.327 286 2HG1 VAL 37 HG12 VAL 37 -11.736 28.163 6.992 287 3HG1 VAL 37 HG13 VAL 37 -10.864 26.874 6.161 288 1HG2 VAL 37 HG21 VAL 37 -9.201 29.241 8.177 289 2HG2 VAL 37 HG22 VAL 37 -8.886 28.251 9.602 290 3HG2 VAL 37 HG23 VAL 37 -10.462 29.015 9.389 291 H LYS 38 HN LYS 38 -9.798 24.500 8.471 292 HA LYS 38 HA LYS 38 -12.066 22.775 7.656 293 1HB LYS 38 HB2 LYS 38 -9.803 23.674 5.840 294 2HB LYS 38 HB1 LYS 38 -10.821 22.283 5.481 295 1HG LYS 38 HG2 LYS 38 -12.820 23.738 5.508 296 2HG LYS 38 HG1 LYS 38 -11.797 25.131 5.854 297 1HD LYS 38 HD2 LYS 38 -10.595 24.818 3.746 298 2HD LYS 38 HD1 LYS 38 -11.557 23.381 3.394 299 1HE LYS 38 HE2 LYS 38 -12.726 25.026 2.194 300 2HE LYS 38 HE1 LYS 38 -13.594 25.052 3.741 301 1HZ LYS 38 HZ1 LYS 38 -11.904 26.738 4.477 302 2HZ LYS 38 HZ2 LYS 38 -12.993 27.278 3.291 303 3HZ LYS 38 HZ3 LYS 38 -11.406 26.850 2.860 304 H ARG 39 HN ARG 39 -11.399 20.494 7.620 305 HA ARG 39 HA ARG 39 -9.289 19.826 9.466 306 1HB ARG 39 HB2 ARG 39 -11.034 18.255 7.555 307 2HB ARG 39 HB1 ARG 39 -9.882 17.475 8.637 308 1HG ARG 39 HG2 ARG 39 -11.988 19.398 9.642 309 2HG ARG 39 HG1 ARG 39 -12.285 17.665 9.497 310 1HD ARG 39 HD2 ARG 39 -9.959 18.840 11.062 311 2HD ARG 39 HD1 ARG 39 -11.494 18.337 11.795 312 HE ARG 39 HE ARG 39 -9.499 16.527 10.558 313 1HH1 ARG 39 HH21 ARG 39 -10.584 16.069 13.298 314 2HH1 ARG 39 HH22 ARG 39 -11.767 14.833 13.026 315 1HH2 ARG 39 HH11 ARG 39 -11.904 15.345 9.600 316 2HH2 ARG 39 HH12 ARG 39 -12.515 14.424 10.934 317 H GLY 40 HN GLY 40 -9.642 19.699 5.946 318 1HA GLY 40 HA2 GLY 40 -7.809 20.046 4.413 319 2HA GLY 40 HA1 GLY 40 -6.689 19.583 5.693 320 H ILE 41 HN ILE 41 -7.701 17.187 6.555 321 HA ILE 41 HA ILE 41 -6.847 15.368 4.467 322 HB ILE 41 HB ILE 41 -8.209 14.935 7.148 323 1HG1 ILE 41 HG12 ILE 41 -5.274 14.751 6.409 324 2HG1 ILE 41 HG11 ILE 41 -6.004 16.194 7.112 325 1HG2 ILE 41 HG21 ILE 41 -6.704 12.723 6.753 326 2HG2 ILE 41 HG22 ILE 41 -7.124 13.088 5.079 327 3HG2 ILE 41 HG23 ILE 41 -8.397 12.819 6.270 328 1HD1 ILE 41 HD11 ILE 41 -5.044 14.902 8.915 329 2HD1 ILE 41 HD12 ILE 41 -5.848 13.436 8.357 330 3HD1 ILE 41 HD13 ILE 41 -6.798 14.761 9.029 331 H VAL 42 HN VAL 42 -10.019 16.193 5.847 332 HA VAL 42 HA VAL 42 -11.530 14.213 4.411 333 HB VAL 42 HB VAL 42 -13.447 15.579 5.146 334 1HG1 VAL 42 HG11 VAL 42 -12.533 14.140 6.821 335 2HG1 VAL 42 HG12 VAL 42 -12.818 15.695 7.604 336 3HG1 VAL 42 HG13 VAL 42 -11.185 15.236 7.123 337 1HG2 VAL 42 HG21 VAL 42 -12.758 17.671 6.555 338 2HG2 VAL 42 HG22 VAL 42 -12.849 17.823 4.801 339 3HG2 VAL 42 HG23 VAL 42 -11.285 17.633 5.588 340 H GLU 43 HN GLU 43 -10.782 17.609 3.670 341 HA GLU 43 HA GLU 43 -12.465 17.817 1.372 342 1HB GLU 43 HB2 GLU 43 -11.115 19.854 0.942 343 2HB GLU 43 HB1 GLU 43 -11.606 19.732 2.630 344 1HG GLU 43 HG2 GLU 43 -9.415 18.896 3.259 345 2HG GLU 43 HG1 GLU 43 -8.911 18.829 1.571 346 H GLN 44 HN GLN 44 -9.161 16.601 1.745 347 HA GLN 44 HA GLN 44 -8.387 16.700 -1.017 348 1HB GLN 44 HB2 GLN 44 -7.615 14.942 1.324 349 2HB GLN 44 HB1 GLN 44 -6.794 14.868 -0.236 350 1HG GLN 44 HG2 GLN 44 -6.156 17.203 -0.075 351 2HG GLN 44 HG1 GLN 44 -7.103 17.401 1.396 352 1HE2 GLN 44 HE21 GLN 44 -4.107 17.679 0.963 353 2HE2 GLN 44 HE22 GLN 44 -3.404 16.622 2.090 354 H CYS 45 HN CYS 45 -10.088 14.173 0.860 355 HA CYS 45 HA CYS 45 -10.205 12.350 -1.438 356 1HB CYS 45 HB2 CYS 45 -11.470 12.382 1.318 357 2HB CYS 45 HB1 CYS 45 -11.617 11.035 0.189 358 H CYS 46 HN CYS 46 -12.249 14.814 -0.019 359 HA CYS 46 HA CYS 46 -14.737 14.018 -1.251 360 1HB CYS 46 HB2 CYS 46 -13.582 16.603 -0.181 361 2HB CYS 46 HB1 CYS 46 -15.231 16.501 -0.802 362 H THR 47 HN THR 47 -12.043 16.097 -2.243 363 HA THR 47 HA THR 47 -13.256 17.104 -4.665 364 HB THR 47 HB THR 47 -10.360 16.762 -3.810 365 HG1 THR 47 HG1 THR 47 -12.235 18.865 -3.527 366 1HG2 THR 47 HG21 THR 47 -9.866 17.531 -5.870 367 2HG2 THR 47 HG22 THR 47 -10.642 19.046 -5.408 368 3HG2 THR 47 HG23 THR 47 -11.568 17.802 -6.246 369 H SER 48 HN SER 48 -11.099 14.336 -3.981 370 HA SER 48 HA SER 48 -11.828 13.205 -6.654 371 1HB SER 48 HB2 SER 48 -9.029 13.249 -5.496 372 2HB SER 48 HB1 SER 48 -9.506 12.781 -7.126 373 HG SER 48 HG SER 48 -8.777 14.875 -7.218 374 H ILE 49 HN ILE 49 -11.590 10.864 -6.738 375 HA ILE 49 HA ILE 49 -12.388 9.459 -4.379 376 HB ILE 49 HB ILE 49 -11.127 8.551 -6.993 377 1HG1 ILE 49 HG12 ILE 49 -14.035 8.455 -6.183 378 2HG1 ILE 49 HG11 ILE 49 -13.339 9.893 -6.928 379 1HG2 ILE 49 HG21 ILE 49 -12.497 6.413 -6.363 380 2HG2 ILE 49 HG22 ILE 49 -12.387 7.030 -4.715 381 3HG2 ILE 49 HG23 ILE 49 -10.918 6.655 -5.616 382 1HD1 ILE 49 HD11 ILE 49 -14.245 7.504 -8.213 383 2HD1 ILE 49 HD12 ILE 49 -12.503 7.622 -8.460 384 3HD1 ILE 49 HD13 ILE 49 -13.556 8.946 -8.957 385 H CYS 50 HN CYS 50 -11.149 8.888 -2.645 386 HA CYS 50 HA CYS 50 -8.201 9.033 -2.795 387 1HB CYS 50 HB2 CYS 50 -10.354 9.020 -0.764 388 2HB CYS 50 HB1 CYS 50 -8.884 8.186 -0.265 389 H SER 51 HN SER 51 -6.861 7.234 -2.802 390 HA SER 51 HA SER 51 -8.047 4.621 -3.372 391 1HB SER 51 HB2 SER 51 -5.669 4.006 -3.657 392 2HB SER 51 HB1 SER 51 -6.033 5.512 -4.492 393 HG SER 51 HG SER 51 -4.343 6.129 -3.355 394 H LEU 52 HN LEU 52 -7.516 2.684 -2.132 395 HA LEU 52 HA LEU 52 -8.031 2.846 0.652 396 1HB LEU 52 HB2 LEU 52 -8.439 0.882 -0.788 397 2HB LEU 52 HB1 LEU 52 -6.702 0.675 -0.999 398 HG LEU 52 HG LEU 52 -6.451 0.325 1.442 399 1HD1 LEU 52 HD11 LEU 52 -8.715 -0.174 2.636 400 2HD1 LEU 52 HD12 LEU 52 -9.424 0.817 1.361 401 3HD1 LEU 52 HD13 LEU 52 -8.220 1.508 2.448 402 1HD2 LEU 52 HD21 LEU 52 -7.960 -1.827 1.489 403 2HD2 LEU 52 HD22 LEU 52 -6.644 -1.717 0.320 404 3HD2 LEU 52 HD23 LEU 52 -8.302 -1.394 -0.186 405 H TYR 53 HN TYR 53 -4.961 2.522 -1.117 406 HA TYR 53 HA TYR 53 -3.227 2.051 1.077 407 1HB TYR 53 HB2 TYR 53 -2.645 1.835 -1.304 408 2HB TYR 53 HB1 TYR 53 -2.784 3.577 -1.484 409 HD1 TYR 53 HD1 TYR 53 -1.191 5.100 -0.279 410 HD2 TYR 53 HD2 TYR 53 -0.690 0.834 -0.353 411 HE1 TYR 53 HE1 TYR 53 1.167 5.364 0.443 412 HE2 TYR 53 HE2 TYR 53 1.667 1.099 0.370 413 HH TYR 53 HH TYR 53 3.261 4.126 0.362 414 H GLN 54 HN GLN 54 -4.400 5.128 -0.295 415 HA GLN 54 HA GLN 54 -2.799 6.823 1.417 416 1HB GLN 54 HB2 GLN 54 -5.321 7.210 -0.212 417 2HB GLN 54 HB1 GLN 54 -4.503 8.538 0.617 418 1HG GLN 54 HG2 GLN 54 -2.477 8.168 -0.645 419 2HG GLN 54 HG1 GLN 54 -3.130 6.691 -1.353 420 1HE2 GLN 54 HE21 GLN 54 -2.230 8.996 -2.904 421 2HE2 GLN 54 HE22 GLN 54 -3.584 9.605 -3.727 422 H LEU 55 HN LEU 55 -6.131 5.556 1.661 423 HA LEU 55 HA LEU 55 -6.952 7.013 3.976 424 1HB LEU 55 HB2 LEU 55 -7.622 4.264 2.883 425 2HB LEU 55 HB1 LEU 55 -8.501 5.005 4.219 426 HG LEU 55 HG LEU 55 -8.131 6.402 1.564 427 1HD1 LEU 55 HD11 LEU 55 -9.413 4.648 0.797 428 2HD1 LEU 55 HD12 LEU 55 -10.703 5.639 1.479 429 3HD1 LEU 55 HD13 LEU 55 -10.055 4.280 2.398 430 1HD2 LEU 55 HD21 LEU 55 -10.492 6.846 3.305 431 2HD2 LEU 55 HD22 LEU 55 -9.496 8.017 2.442 432 3HD2 LEU 55 HD23 LEU 55 -8.951 7.366 3.987 433 H GLU 56 HN GLU 56 -5.375 3.822 3.688 434 HA GLU 56 HA GLU 56 -5.196 3.227 6.476 435 1HB GLU 56 HB2 GLU 56 -3.508 2.495 4.063 436 2HB GLU 56 HB1 GLU 56 -3.282 1.758 5.650 437 1HG GLU 56 HG2 GLU 56 -5.634 0.999 5.637 438 2HG GLU 56 HG1 GLU 56 -5.861 1.732 4.050 439 H ASN 57 HN ASN 57 -3.028 5.028 4.299 440 HA ASN 57 HA ASN 57 -0.856 5.469 6.107 441 1HB ASN 57 HB2 ASN 57 -0.828 5.893 3.668 442 2HB ASN 57 HB1 ASN 57 -1.990 7.202 3.880 443 1HD2 ASN 57 HD21 ASN 57 -1.061 9.241 4.083 444 2HD2 ASN 57 HD22 ASN 57 0.524 9.544 4.609 445 H TYR 58 HN TYR 58 -3.806 7.387 5.479 446 HA TYR 58 HA TYR 58 -3.269 9.529 7.288 447 1HB TYR 58 HB2 TYR 58 -5.721 8.250 6.104 448 2HB TYR 58 HB1 TYR 58 -5.880 9.556 7.277 449 HD1 TYR 58 HD1 TYR 58 -4.139 11.574 6.834 450 HD2 TYR 58 HD2 TYR 58 -5.654 8.885 3.846 451 HE1 TYR 58 HE1 TYR 58 -3.619 13.239 5.074 452 HE2 TYR 58 HE2 TYR 58 -5.131 10.552 2.083 453 HH TYR 58 HH TYR 58 -4.569 13.718 2.657 454 H CYS 59 HN CYS 59 -4.675 6.321 7.794 455 HA CYS 59 HA CYS 59 -5.273 6.870 10.630 456 1HB CYS 59 HB2 CYS 59 -5.685 4.694 8.619 457 2HB CYS 59 HB1 CYS 59 -5.747 4.258 10.327 458 H ASN 60 HN ASN 60 -2.520 5.905 8.838 459 HA ASN 60 HA ASN 60 -1.377 3.969 10.666 460 1HB ASN 60 HB2 ASN 60 -0.348 5.785 8.486 461 2HB ASN 60 HB1 ASN 60 0.757 4.784 9.421 462 1HD2 ASN 60 HD21 ASN 60 0.714 4.136 6.790 463 2HD2 ASN 60 HD22 ASN 60 -0.191 2.729 6.500 Start of MODEL 3 1 1H PHE 1 HT1 PHE 1 -18.685 -1.141 -13.064 2 2H PHE 1 HT2 PHE 1 -18.897 0.516 -12.750 3 3H PHE 1 HT3 PHE 1 -19.815 -0.636 -11.904 4 HA PHE 1 HA PHE 1 -17.916 -1.417 -10.712 5 1HB PHE 1 HB2 PHE 1 -16.577 -1.115 -12.899 6 2HB PHE 1 HB1 PHE 1 -16.305 0.542 -12.360 7 HD1 PHE 1 HD1 PHE 1 -15.433 -2.960 -11.889 8 HD2 PHE 1 HD2 PHE 1 -15.128 0.973 -10.191 9 HE1 PHE 1 HE1 PHE 1 -13.606 -3.743 -10.406 10 HE2 PHE 1 HE2 PHE 1 -13.302 0.191 -8.707 11 HZ PHE 1 HZ PHE 1 -12.541 -2.167 -8.814 12 H VAL 2 HN VAL 2 -17.962 -0.433 -8.721 13 HA VAL 2 HA VAL 2 -18.945 2.247 -8.385 14 HB VAL 2 HB VAL 2 -18.540 1.726 -5.977 15 1HG1 VAL 2 HG11 VAL 2 -20.031 -0.002 -7.868 16 2HG1 VAL 2 HG12 VAL 2 -20.610 0.904 -6.470 17 3HG1 VAL 2 HG13 VAL 2 -19.814 -0.654 -6.244 18 1HG2 VAL 2 HG21 VAL 2 -17.111 0.099 -5.309 19 2HG2 VAL 2 HG22 VAL 2 -16.529 0.068 -6.972 20 3HG2 VAL 2 HG23 VAL 2 -17.776 -1.063 -6.455 21 H ASN 3 HN ASN 3 -17.863 4.111 -7.893 22 HA ASN 3 HA ASN 3 -15.053 4.190 -7.082 23 1HB ASN 3 HB2 ASN 3 -15.927 4.369 -9.895 24 2HB ASN 3 HB1 ASN 3 -14.907 5.717 -9.390 25 1HD2 ASN 3 HD21 ASN 3 -13.127 4.514 -7.616 26 2HD2 ASN 3 HD22 ASN 3 -12.229 3.314 -8.413 27 H GLN 4 HN GLN 4 -17.151 5.162 -5.723 28 HA GLN 4 HA GLN 4 -17.841 7.918 -6.445 29 1HB GLN 4 HB2 GLN 4 -18.348 6.212 -3.990 30 2HB GLN 4 HB1 GLN 4 -19.149 7.741 -4.345 31 1HG GLN 4 HG2 GLN 4 -20.068 6.790 -6.427 32 2HG GLN 4 HG1 GLN 4 -19.255 5.259 -6.094 33 1HE2 GLN 4 HE21 GLN 4 -22.146 5.541 -6.322 34 2HE2 GLN 4 HE22 GLN 4 -22.812 5.155 -4.809 35 H HIS 5 HN HIS 5 -17.638 9.628 -4.685 36 HA HIS 5 HA HIS 5 -14.838 10.028 -3.986 37 1HB HIS 5 HB2 HIS 5 -17.434 11.494 -3.425 38 2HB HIS 5 HB1 HIS 5 -15.859 12.115 -2.938 39 HD1 HIS 5 HD1 HIS 5 -14.381 13.148 -4.740 40 HD2 HIS 5 HD2 HIS 5 -17.813 11.365 -6.297 41 HE1 HIS 5 HE1 HIS 5 -14.503 13.833 -7.175 42 H LEU 6 HN LEU 6 -14.145 10.529 -1.735 43 HA LEU 6 HA LEU 6 -15.192 8.558 0.173 44 1HB LEU 6 HB2 LEU 6 -12.804 10.366 -0.040 45 2HB LEU 6 HB1 LEU 6 -13.162 9.522 1.465 46 HG LEU 6 HG LEU 6 -13.318 7.394 0.072 47 1HD1 LEU 6 HD11 LEU 6 -11.626 7.858 -2.005 48 2HD1 LEU 6 HD12 LEU 6 -12.499 9.390 -1.968 49 3HD1 LEU 6 HD13 LEU 6 -13.382 7.877 -2.166 50 1HD2 LEU 6 HD21 LEU 6 -10.678 7.464 -0.213 51 2HD2 LEU 6 HD22 LEU 6 -11.416 7.482 1.390 52 3HD2 LEU 6 HD23 LEU 6 -10.859 8.985 0.659 53 H CYS 7 HN CYS 7 -16.005 11.712 -0.531 54 HA CYS 7 HA CYS 7 -16.256 12.684 2.238 55 1HB CYS 7 HB2 CYS 7 -16.082 13.767 -0.378 56 2HB CYS 7 HB1 CYS 7 -17.683 14.201 0.215 57 H GLY 8 HN GLY 8 -18.753 13.954 2.086 58 1HA GLY 8 HA2 GLY 8 -21.014 13.544 2.519 59 2HA GLY 8 HA1 GLY 8 -20.941 12.472 1.122 60 H SER 9 HN SER 9 -21.889 10.562 1.771 61 HA SER 9 HA SER 9 -21.911 9.621 4.515 62 1HB SER 9 HB2 SER 9 -23.615 9.247 2.664 63 2HB SER 9 HB1 SER 9 -22.490 8.082 1.973 64 HG SER 9 HG SER 9 -24.136 7.877 4.150 65 H HIS 10 HN HIS 10 -19.986 8.762 1.659 66 HA HIS 10 HA HIS 10 -18.781 6.377 2.641 67 1HB HIS 10 HB2 HIS 10 -18.781 7.464 0.305 68 2HB HIS 10 HB1 HIS 10 -17.427 8.434 0.888 69 HD1 HIS 10 HD1 HIS 10 -18.371 4.950 -0.091 70 HD2 HIS 10 HD2 HIS 10 -15.025 6.946 1.393 71 HE1 HIS 10 HE1 HIS 10 -16.424 3.346 -0.314 72 H LEU 11 HN LEU 11 -18.002 9.765 3.255 73 HA LEU 11 HA LEU 11 -15.357 9.488 4.283 74 1HB LEU 11 HB2 LEU 11 -16.516 11.603 3.754 75 2HB LEU 11 HB1 LEU 11 -17.628 11.345 5.090 76 HG LEU 11 HG LEU 11 -14.732 11.248 5.756 77 1HD1 LEU 11 HD11 LEU 11 -14.949 13.861 5.988 78 2HD1 LEU 11 HD12 LEU 11 -16.148 13.681 4.708 79 3HD1 LEU 11 HD13 LEU 11 -14.485 13.160 4.438 80 1HD2 LEU 11 HD21 LEU 11 -17.259 12.378 6.987 81 2HD2 LEU 11 HD22 LEU 11 -15.662 12.637 7.689 82 3HD2 LEU 11 HD23 LEU 11 -16.309 11.003 7.549 83 H VAL 12 HN VAL 12 -18.484 9.470 6.035 84 HA VAL 12 HA VAL 12 -17.416 8.951 8.639 85 HB VAL 12 HB VAL 12 -20.094 8.378 7.315 86 1HG1 VAL 12 HG11 VAL 12 -21.012 8.229 9.605 87 2HG1 VAL 12 HG12 VAL 12 -19.385 8.382 10.269 88 3HG1 VAL 12 HG13 VAL 12 -19.821 6.960 9.321 89 1HG2 VAL 12 HG21 VAL 12 -18.978 10.780 7.755 90 2HG2 VAL 12 HG22 VAL 12 -19.661 10.508 9.358 91 3HG2 VAL 12 HG23 VAL 12 -20.710 10.506 7.941 92 H GLU 13 HN GLU 13 -18.788 6.747 6.199 93 HA GLU 13 HA GLU 13 -18.442 4.310 7.604 94 1HB GLU 13 HB2 GLU 13 -18.445 5.041 4.667 95 2HB GLU 13 HB1 GLU 13 -18.477 3.373 5.237 96 1HG GLU 13 HG2 GLU 13 -20.497 5.459 6.094 97 2HG GLU 13 HG1 GLU 13 -20.754 4.363 4.737 98 H ALA 14 HN ALA 14 -16.284 5.856 5.223 99 HA ALA 14 HA ALA 14 -14.237 3.905 5.209 100 1HB ALA 14 HB1 ALA 14 -12.860 5.842 4.365 101 2HB ALA 14 HB2 ALA 14 -14.210 6.900 4.776 102 3HB ALA 14 HB3 ALA 14 -14.412 5.650 3.549 103 H LEU 15 HN LEU 15 -14.479 6.858 7.230 104 HA LEU 15 HA LEU 15 -11.964 6.631 8.526 105 1HB LEU 15 HB2 LEU 15 -14.640 7.766 9.366 106 2HB LEU 15 HB1 LEU 15 -13.162 8.016 10.295 107 HG LEU 15 HG LEU 15 -13.427 8.709 7.358 108 1HD1 LEU 15 HD11 LEU 15 -13.803 10.985 8.000 109 2HD1 LEU 15 HD12 LEU 15 -13.492 10.627 9.698 110 3HD1 LEU 15 HD13 LEU 15 -14.955 10.020 8.922 111 1HD2 LEU 15 HD21 LEU 15 -11.446 10.256 8.305 112 2HD2 LEU 15 HD22 LEU 15 -11.151 8.620 7.715 113 3HD2 LEU 15 HD23 LEU 15 -11.305 8.919 9.446 114 H TYR 16 HN TYR 16 -15.152 5.438 9.710 115 HA TYR 16 HA TYR 16 -14.043 4.220 12.086 116 1HB TYR 16 HB2 TYR 16 -16.637 4.166 10.579 117 2HB TYR 16 HB1 TYR 16 -16.388 3.036 11.911 118 HD1 TYR 16 HD1 TYR 16 -16.114 3.822 14.208 119 HD2 TYR 16 HD2 TYR 16 -16.703 6.587 10.973 120 HE1 TYR 16 HE1 TYR 16 -16.574 5.632 15.839 121 HE2 TYR 16 HE2 TYR 16 -17.165 8.396 12.605 122 HH TYR 16 HH TYR 16 -16.437 8.151 15.873 123 H LEU 17 HN LEU 17 -15.014 2.806 8.935 124 HA LEU 17 HA LEU 17 -14.445 0.101 9.691 125 1HB LEU 17 HB2 LEU 17 -15.076 1.628 7.253 126 2HB LEU 17 HB1 LEU 17 -14.307 0.068 7.001 127 HG LEU 17 HG LEU 17 -16.054 -0.898 8.591 128 1HD1 LEU 17 HD11 LEU 17 -16.898 1.941 8.453 129 2HD1 LEU 17 HD12 LEU 17 -17.152 0.752 9.728 130 3HD1 LEU 17 HD13 LEU 17 -18.193 0.754 8.305 131 1HD2 LEU 17 HD21 LEU 17 -17.510 -1.322 6.812 132 2HD2 LEU 17 HD22 LEU 17 -16.052 -0.810 5.962 133 3HD2 LEU 17 HD23 LEU 17 -17.385 0.322 6.187 134 H VAL 18 HN VAL 18 -12.476 2.549 7.989 135 HA VAL 18 HA VAL 18 -10.314 0.774 7.331 136 HB VAL 18 HB VAL 18 -10.511 3.758 7.681 137 1HG1 VAL 18 HG11 VAL 18 -8.482 3.565 5.990 138 2HG1 VAL 18 HG12 VAL 18 -8.254 2.007 6.784 139 3HG1 VAL 18 HG13 VAL 18 -8.202 3.495 7.730 140 1HG2 VAL 18 HG21 VAL 18 -10.237 2.442 5.032 141 2HG2 VAL 18 HG22 VAL 18 -11.194 3.850 5.492 142 3HG2 VAL 18 HG23 VAL 18 -11.778 2.227 5.861 143 H CYS 19 HN CYS 19 -10.728 3.081 10.034 144 HA CYS 19 HA CYS 19 -8.205 2.438 11.288 145 1HB CYS 19 HB2 CYS 19 -10.752 3.769 12.146 146 2HB CYS 19 HB1 CYS 19 -9.389 3.598 13.248 147 H GLY 20 HN GLY 20 -11.532 1.283 11.761 148 1HA GLY 20 HA2 GLY 20 -12.316 -0.692 12.739 149 2HA GLY 20 HA1 GLY 20 -10.651 -1.260 12.759 150 H GLU 21 HN GLU 21 -11.268 1.781 14.307 151 HA GLU 21 HA GLU 21 -11.378 0.465 16.966 152 1HB GLU 21 HB2 GLU 21 -9.047 1.158 16.136 153 2HB GLU 21 HB1 GLU 21 -9.607 2.823 16.296 154 1HG GLU 21 HG2 GLU 21 -10.120 2.418 18.678 155 2HG GLU 21 HG1 GLU 21 -9.562 0.758 18.519 156 H ARG 22 HN ARG 22 -12.727 1.552 18.415 157 HA ARG 22 HA ARG 22 -14.401 3.690 17.334 158 1HB ARG 22 HB2 ARG 22 -14.362 2.027 19.854 159 2HB ARG 22 HB1 ARG 22 -15.587 3.260 19.547 160 1HG ARG 22 HG2 ARG 22 -16.210 2.122 17.445 161 2HG ARG 22 HG1 ARG 22 -14.989 0.887 17.751 162 1HD ARG 22 HD2 ARG 22 -16.153 0.232 19.830 163 2HD ARG 22 HD1 ARG 22 -17.381 1.479 19.535 164 HE ARG 22 HE ARG 22 -18.317 0.072 17.886 165 1HH1 ARG 22 HH21 ARG 22 -16.459 -2.019 19.402 166 2HH1 ARG 22 HH22 ARG 22 -15.860 -2.884 18.026 167 1HH2 ARG 22 HH11 ARG 22 -16.950 -0.524 15.733 168 2HH2 ARG 22 HH12 ARG 22 -16.138 -2.038 15.951 169 H GLY 23 HN GLY 23 -11.502 3.696 19.103 170 1HA GLY 23 HA2 GLY 23 -12.062 6.472 20.035 171 2HA GLY 23 HA1 GLY 23 -11.299 5.321 21.131 172 H PHE 24 HN PHE 24 -10.808 6.127 17.680 173 HA PHE 24 HA PHE 24 -7.905 5.867 17.953 174 1HB PHE 24 HB2 PHE 24 -7.985 6.629 15.531 175 2HB PHE 24 HB1 PHE 24 -8.929 5.188 15.887 176 HD1 PHE 24 HD1 PHE 24 -9.351 8.931 15.819 177 HD2 PHE 24 HD2 PHE 24 -11.104 5.083 15.083 178 HE1 PHE 24 HE1 PHE 24 -11.377 10.031 14.915 179 HE2 PHE 24 HE2 PHE 24 -13.134 6.183 14.180 180 HZ PHE 24 HZ PHE 24 -13.270 8.657 14.095 181 H PHE 25 HN PHE 25 -6.368 7.588 17.596 182 HA PHE 25 HA PHE 25 -7.044 10.084 18.895 183 1HB PHE 25 HB2 PHE 25 -4.667 8.746 17.699 184 2HB PHE 25 HB1 PHE 25 -4.585 10.495 17.899 185 HD1 PHE 25 HD1 PHE 25 -4.660 7.259 19.605 186 HD2 PHE 25 HD2 PHE 25 -4.812 11.518 20.143 187 HE1 PHE 25 HE1 PHE 25 -4.165 6.973 22.019 188 HE2 PHE 25 HE2 PHE 25 -4.319 11.232 22.556 189 HZ PHE 25 HZ PHE 25 -3.995 8.960 23.494 190 H TYR 26 HN TYR 26 -5.786 9.400 15.605 191 HA TYR 26 HA TYR 26 -5.969 10.623 13.595 192 1HB TYR 26 HB2 TYR 26 -8.505 10.309 14.775 193 2HB TYR 26 HB1 TYR 26 -8.452 11.994 14.275 194 HD1 TYR 26 HD1 TYR 26 -8.161 8.486 13.108 195 HD2 TYR 26 HD2 TYR 26 -8.400 12.616 11.953 196 HE1 TYR 26 HE1 TYR 26 -8.537 7.806 10.752 197 HE2 TYR 26 HE2 TYR 26 -8.775 11.937 9.598 198 HH TYR 26 HH TYR 26 -8.045 9.184 8.343 199 H THR 27 HN THR 27 -4.510 11.875 15.751 200 HA THR 27 HA THR 27 -5.288 14.685 15.882 201 HB THR 27 HB THR 27 -2.640 13.498 16.692 202 HG1 THR 27 HG1 THR 27 -3.560 12.510 18.349 203 1HG2 THR 27 HG21 THR 27 -3.414 15.089 18.709 204 2HG2 THR 27 HG22 THR 27 -4.332 15.841 17.404 205 3HG2 THR 27 HG23 THR 27 -2.577 15.714 17.288 206 HA PRO 28 HA PRO 28 -2.815 15.355 12.160 207 1HB PRO 28 HB2 PRO 28 -3.878 17.776 11.490 208 2HB PRO 28 HB1 PRO 28 -4.696 16.239 11.153 209 1HG PRO 28 HG2 PRO 28 -5.314 18.288 13.161 210 2HG PRO 28 HG1 PRO 28 -6.360 17.060 12.438 211 1HD PRO 28 HD2 PRO 28 -5.130 17.001 15.003 212 2HD PRO 28 HD1 PRO 28 -6.096 15.726 14.233 213 H LYS 29 HN LYS 29 -1.501 17.410 11.401 214 HA LYS 29 HA LYS 29 0.305 18.179 13.498 215 1HB LYS 29 HB2 LYS 29 0.882 17.921 11.105 216 2HB LYS 29 HB1 LYS 29 -0.166 19.282 10.707 217 1HG LYS 29 HG2 LYS 29 1.251 20.839 11.774 218 2HG LYS 29 HG1 LYS 29 2.093 19.581 12.683 219 1HD LYS 29 HD2 LYS 29 3.535 20.313 10.865 220 2HD LYS 29 HD1 LYS 29 2.972 18.680 10.515 221 1HE LYS 29 HE2 LYS 29 1.047 19.856 9.205 222 2HE LYS 29 HE1 LYS 29 2.109 21.276 9.243 223 1HZ LYS 29 HZ1 LYS 29 3.099 18.598 8.449 224 2HZ LYS 29 HZ2 LYS 29 3.827 20.111 8.186 225 3HZ LYS 29 HZ3 LYS 29 2.434 19.672 7.318 226 H THR 30 HN THR 30 -2.306 19.853 11.791 227 HA THR 30 HA THR 30 -3.298 21.980 12.114 228 HB THR 30 HB THR 30 -4.395 20.349 13.596 229 HG1 THR 30 HG1 THR 30 -4.062 22.872 14.840 230 1HG2 THR 30 HG21 THR 30 -3.765 20.546 16.087 231 2HG2 THR 30 HG22 THR 30 -2.249 21.247 15.520 232 3HG2 THR 30 HG23 THR 30 -2.687 19.603 15.057 233 H ARG 31 HN ARG 31 -0.264 22.171 12.513 234 HA ARG 31 HA ARG 31 0.183 23.886 14.781 235 1HB ARG 31 HB2 ARG 31 1.693 23.342 12.218 236 2HB ARG 31 HB1 ARG 31 2.327 24.378 13.498 237 1HG ARG 31 HG2 ARG 31 1.864 22.407 15.088 238 2HG ARG 31 HG1 ARG 31 1.686 21.430 13.634 239 1HD ARG 31 HD2 ARG 31 4.149 23.076 14.323 240 2HD ARG 31 HD1 ARG 31 4.011 21.318 14.506 241 HE ARG 31 HE ARG 31 3.248 22.011 11.843 242 1HH1 ARG 31 HH11 ARG 31 5.593 23.789 11.972 243 2HH1 ARG 31 HH12 ARG 31 6.909 22.737 11.570 244 1HH2 ARG 31 HH21 ARG 31 5.122 19.829 12.174 245 2HH2 ARG 31 HH22 ARG 31 6.643 20.498 11.684 246 H ARG 32 HN ARG 32 -0.520 24.531 11.347 247 HA ARG 32 HA ARG 32 -0.157 27.357 11.408 248 1HB ARG 32 HB2 ARG 32 -0.380 25.823 9.417 249 2HB ARG 32 HB1 ARG 32 -2.112 25.749 9.743 250 1HG ARG 32 HG2 ARG 32 -1.878 27.475 8.128 251 2HG ARG 32 HG1 ARG 32 -2.062 28.321 9.666 252 1HD ARG 32 HD2 ARG 32 0.529 28.279 9.782 253 2HD ARG 32 HD1 ARG 32 0.457 27.900 8.050 254 HE ARG 32 HE ARG 32 -0.414 30.075 7.643 255 1HH1 ARG 32 HH11 ARG 32 0.918 30.009 10.666 256 2HH1 ARG 32 HH12 ARG 32 -0.047 31.280 11.339 257 1HH2 ARG 32 HH21 ARG 32 -2.225 31.417 8.646 258 2HH2 ARG 32 HH22 ARG 32 -1.823 32.078 10.196 259 H TYR 33 HN TYR 33 -3.240 25.515 11.567 260 HA TYR 33 HA TYR 33 -4.358 27.423 13.511 261 1HB TYR 33 HB2 TYR 33 -4.847 27.469 10.595 262 2HB TYR 33 HB1 TYR 33 -6.305 27.492 11.574 263 HD1 TYR 33 HD1 TYR 33 -4.607 29.658 9.784 264 HD2 TYR 33 HD2 TYR 33 -5.430 29.051 13.958 265 HE1 TYR 33 HE1 TYR 33 -4.288 32.081 10.206 266 HE2 TYR 33 HE2 TYR 33 -5.109 31.470 14.375 267 HH TYR 33 HH TYR 33 -3.603 33.413 12.860 268 HA PRO 34 HA PRO 34 -6.824 23.883 14.465 269 1HB PRO 34 HB2 PRO 34 -9.245 24.929 15.178 270 2HB PRO 34 HB1 PRO 34 -7.797 25.074 16.194 271 1HG PRO 34 HG2 PRO 34 -9.058 27.077 14.399 272 2HG PRO 34 HG1 PRO 34 -8.259 27.302 15.962 273 1HD PRO 34 HD2 PRO 34 -7.096 27.855 13.538 274 2HD PRO 34 HD1 PRO 34 -6.193 27.480 15.021 275 H GLY 35 HN GLY 35 -8.814 26.214 12.617 276 1HA GLY 35 HA2 GLY 35 -9.513 25.632 10.309 277 2HA GLY 35 HA1 GLY 35 -9.649 23.957 10.842 278 H ASP 36 HN ASP 36 -10.980 27.184 11.640 279 HA ASP 36 HA ASP 36 -13.413 26.066 12.816 280 1HB ASP 36 HB2 ASP 36 -12.542 28.837 11.929 281 2HB ASP 36 HB1 ASP 36 -14.045 28.515 12.794 282 H VAL 37 HN VAL 37 -15.481 26.014 11.825 283 HA VAL 37 HA VAL 37 -17.027 25.780 10.072 284 HB VAL 37 HB VAL 37 -15.268 27.960 8.892 285 1HG1 VAL 37 HG11 VAL 37 -16.644 27.168 7.129 286 2HG1 VAL 37 HG12 VAL 37 -17.522 28.549 7.786 287 3HG1 VAL 37 HG13 VAL 37 -18.015 26.909 8.208 288 1HG2 VAL 37 HG21 VAL 37 -16.024 29.020 10.774 289 2HG2 VAL 37 HG22 VAL 37 -17.344 27.874 11.011 290 3HG2 VAL 37 HG23 VAL 37 -17.510 29.180 9.838 291 H LYS 38 HN LYS 38 -14.233 26.574 7.966 292 HA LYS 38 HA LYS 38 -14.675 24.108 6.436 293 1HB LYS 38 HB2 LYS 38 -12.694 26.397 6.322 294 2HB LYS 38 HB1 LYS 38 -12.642 25.043 5.194 295 1HG LYS 38 HG2 LYS 38 -14.957 25.535 4.494 296 2HG LYS 38 HG1 LYS 38 -15.006 26.894 5.619 297 1HD LYS 38 HD2 LYS 38 -13.171 27.991 4.432 298 2HD LYS 38 HD1 LYS 38 -13.020 26.611 3.345 299 1HE LYS 38 HE2 LYS 38 -15.763 27.665 3.451 300 2HE LYS 38 HE1 LYS 38 -14.582 28.845 2.848 301 1HZ LYS 38 HZ1 LYS 38 -15.212 27.522 1.001 302 2HZ LYS 38 HZ2 LYS 38 -15.032 26.076 1.875 303 3HZ LYS 38 HZ3 LYS 38 -13.666 26.993 1.453 304 H ARG 39 HN ARG 39 -13.901 22.218 7.251 305 HA ARG 39 HA ARG 39 -11.834 22.020 9.241 306 1HB ARG 39 HB2 ARG 39 -13.209 20.064 7.384 307 2HB ARG 39 HB1 ARG 39 -12.078 19.556 8.639 308 1HG ARG 39 HG2 ARG 39 -13.473 20.468 10.377 309 2HG ARG 39 HG1 ARG 39 -14.520 21.259 9.198 310 1HD ARG 39 HD2 ARG 39 -15.361 19.141 8.402 311 2HD ARG 39 HD1 ARG 39 -14.156 18.246 9.349 312 HE ARG 39 HE ARG 39 -15.701 20.000 11.052 313 1HH1 ARG 39 HH11 ARG 39 -14.832 16.927 11.073 314 2HH1 ARG 39 HH12 ARG 39 -16.390 16.221 11.347 315 1HH2 ARG 39 HH21 ARG 39 -18.130 19.137 10.650 316 2HH2 ARG 39 HH22 ARG 39 -18.256 17.472 11.108 317 H GLY 40 HN GLY 40 -11.910 21.524 5.730 318 1HA GLY 40 HA2 GLY 40 -9.972 22.056 4.336 319 2HA GLY 40 HA1 GLY 40 -8.930 21.657 5.703 320 H ILE 41 HN ILE 41 -9.949 19.218 6.507 321 HA ILE 41 HA ILE 41 -8.826 17.397 4.556 322 HB ILE 41 HB ILE 41 -10.509 16.972 7.051 323 1HG1 ILE 41 HG12 ILE 41 -8.432 18.239 7.461 324 2HG1 ILE 41 HG11 ILE 41 -8.325 16.625 8.159 325 1HG2 ILE 41 HG21 ILE 41 -9.556 14.710 7.087 326 2HG2 ILE 41 HG22 ILE 41 -8.676 15.039 5.594 327 3HG2 ILE 41 HG23 ILE 41 -10.439 14.972 5.582 328 1HD1 ILE 41 HD11 ILE 41 -7.376 16.382 5.503 329 2HD1 ILE 41 HD12 ILE 41 -6.427 16.305 6.987 330 3HD1 ILE 41 HD13 ILE 41 -6.636 17.845 6.154 331 H VAL 42 HN VAL 42 -12.138 18.197 5.557 332 HA VAL 42 HA VAL 42 -13.498 16.220 3.995 333 HB VAL 42 HB VAL 42 -14.242 18.931 5.072 334 1HG1 VAL 42 HG11 VAL 42 -15.730 18.304 3.165 335 2HG1 VAL 42 HG12 VAL 42 -16.585 18.361 4.706 336 3HG1 VAL 42 HG13 VAL 42 -16.124 16.807 4.010 337 1HG2 VAL 42 HG21 VAL 42 -15.391 16.411 6.129 338 2HG2 VAL 42 HG22 VAL 42 -14.845 17.847 6.993 339 3HG2 VAL 42 HG23 VAL 42 -13.671 16.660 6.426 340 H GLU 43 HN GLU 43 -12.509 19.550 3.272 341 HA GLU 43 HA GLU 43 -13.775 19.866 0.760 342 1HB GLU 43 HB2 GLU 43 -11.218 20.952 1.956 343 2HB GLU 43 HB1 GLU 43 -11.891 21.551 0.439 344 1HG GLU 43 HG2 GLU 43 -13.998 22.116 1.596 345 2HG GLU 43 HG1 GLU 43 -13.326 21.522 3.112 346 H GLN 44 HN GLN 44 -10.558 18.512 1.526 347 HA GLN 44 HA GLN 44 -9.639 18.205 -1.160 348 1HB GLN 44 HB2 GLN 44 -8.325 18.049 0.985 349 2HB GLN 44 HB1 GLN 44 -9.040 16.456 1.244 350 1HG GLN 44 HG2 GLN 44 -8.038 15.589 -0.762 351 2HG GLN 44 HG1 GLN 44 -7.523 17.198 -1.269 352 1HE2 GLN 44 HE21 GLN 44 -5.247 16.566 -1.275 353 2HE2 GLN 44 HE22 GLN 44 -4.399 16.310 0.174 354 H CYS 45 HN CYS 45 -11.508 15.984 0.921 355 HA CYS 45 HA CYS 45 -11.590 13.906 -1.160 356 1HB CYS 45 HB2 CYS 45 -13.056 14.204 1.482 357 2HB CYS 45 HB1 CYS 45 -12.933 12.724 0.539 358 H CYS 46 HN CYS 46 -13.646 16.517 -0.002 359 HA CYS 46 HA CYS 46 -16.085 15.624 -1.302 360 1HB CYS 46 HB2 CYS 46 -15.010 18.080 0.022 361 2HB CYS 46 HB1 CYS 46 -16.443 18.261 -0.986 362 H THR 47 HN THR 47 -13.502 17.920 -2.173 363 HA THR 47 HA THR 47 -14.683 18.583 -4.766 364 HB THR 47 HB THR 47 -11.863 19.004 -3.731 365 HG1 THR 47 HG1 THR 47 -14.129 20.678 -3.429 366 1HG2 THR 47 HG21 THR 47 -13.383 20.928 -5.441 367 2HG2 THR 47 HG22 THR 47 -12.720 19.481 -6.201 368 3HG2 THR 47 HG23 THR 47 -11.649 20.615 -5.377 369 H SER 48 HN SER 48 -12.015 16.537 -3.605 370 HA SER 48 HA SER 48 -11.970 15.178 -6.280 371 1HB SER 48 HB2 SER 48 -9.708 16.058 -4.462 372 2HB SER 48 HB1 SER 48 -9.479 14.969 -5.828 373 HG SER 48 HG SER 48 -9.129 17.220 -6.314 374 H ILE 49 HN ILE 49 -10.933 12.934 -6.052 375 HA ILE 49 HA ILE 49 -12.149 11.557 -3.744 376 HB ILE 49 HB ILE 49 -10.627 10.592 -6.192 377 1HG1 ILE 49 HG12 ILE 49 -13.614 10.600 -5.667 378 2HG1 ILE 49 HG11 ILE 49 -12.791 11.872 -6.571 379 1HG2 ILE 49 HG21 ILE 49 -10.568 8.838 -4.573 380 2HG2 ILE 49 HG22 ILE 49 -11.916 8.443 -5.637 381 3HG2 ILE 49 HG23 ILE 49 -12.222 9.160 -4.056 382 1HD1 ILE 49 HD11 ILE 49 -11.961 10.195 -8.181 383 2HD1 ILE 49 HD12 ILE 49 -13.722 10.170 -8.098 384 3HD1 ILE 49 HD13 ILE 49 -12.783 8.921 -7.281 385 H CYS 50 HN CYS 50 -10.982 11.280 -1.901 386 HA CYS 50 HA CYS 50 -8.087 11.630 -1.786 387 1HB CYS 50 HB2 CYS 50 -10.271 10.790 0.133 388 2HB CYS 50 HB1 CYS 50 -8.580 10.865 0.627 389 H SER 51 HN SER 51 -6.524 9.993 -1.605 390 HA SER 51 HA SER 51 -7.279 7.321 -2.541 391 1HB SER 51 HB2 SER 51 -4.886 7.020 -2.643 392 2HB SER 51 HB1 SER 51 -5.225 8.665 -3.170 393 HG SER 51 HG SER 51 -4.700 9.369 -1.079 394 H LEU 52 HN LEU 52 -7.205 5.421 -1.332 395 HA LEU 52 HA LEU 52 -7.810 5.465 1.441 396 1HB LEU 52 HB2 LEU 52 -8.373 3.652 -0.140 397 2HB LEU 52 HB1 LEU 52 -6.661 3.265 -0.309 398 HG LEU 52 HG LEU 52 -6.603 2.872 2.194 399 1HD1 LEU 52 HD11 LEU 52 -9.104 2.248 2.929 400 2HD1 LEU 52 HD12 LEU 52 -9.485 3.528 1.777 401 3HD1 LEU 52 HD13 LEU 52 -8.444 3.867 3.160 402 1HD2 LEU 52 HD21 LEU 52 -6.749 1.016 0.563 403 2HD2 LEU 52 HD22 LEU 52 -8.508 1.155 0.566 404 3HD2 LEU 52 HD23 LEU 52 -7.660 0.646 2.027 405 H TYR 53 HN TYR 53 -4.751 5.181 -0.278 406 HA TYR 53 HA TYR 53 -3.058 4.232 1.785 407 1HB TYR 53 HB2 TYR 53 -2.492 4.456 -0.603 408 2HB TYR 53 HB1 TYR 53 -2.537 6.203 -0.434 409 HD1 TYR 53 HD1 TYR 53 -0.773 7.418 0.761 410 HD2 TYR 53 HD2 TYR 53 -0.676 3.142 0.363 411 HE1 TYR 53 HE1 TYR 53 1.604 7.405 1.470 412 HE2 TYR 53 HE2 TYR 53 1.699 3.128 1.075 413 HH TYR 53 HH TYR 53 3.671 5.337 0.925 414 H GLN 54 HN GLN 54 -4.075 7.570 1.029 415 HA GLN 54 HA GLN 54 -2.394 8.852 2.997 416 1HB GLN 54 HB2 GLN 54 -4.962 9.604 1.574 417 2HB GLN 54 HB1 GLN 54 -4.073 10.726 2.603 418 1HG GLN 54 HG2 GLN 54 -2.070 10.441 1.195 419 2HG GLN 54 HG1 GLN 54 -2.954 9.318 0.162 420 1HE2 GLN 54 HE21 GLN 54 -1.899 12.375 0.033 421 2HE2 GLN 54 HE22 GLN 54 -3.180 13.129 -0.786 422 H LEU 55 HN LEU 55 -5.794 7.734 3.069 423 HA LEU 55 HA LEU 55 -6.443 8.709 5.680 424 1HB LEU 55 HB2 LEU 55 -7.414 6.374 4.008 425 2HB LEU 55 HB1 LEU 55 -8.191 6.865 5.513 426 HG LEU 55 HG LEU 55 -7.738 8.738 3.177 427 1HD1 LEU 55 HD11 LEU 55 -9.272 7.124 2.354 428 2HD1 LEU 55 HD12 LEU 55 -10.285 8.442 2.942 429 3HD1 LEU 55 HD13 LEU 55 -10.084 6.984 3.914 430 1HD2 LEU 55 HD21 LEU 55 -9.835 9.705 4.632 431 2HD2 LEU 55 HD22 LEU 55 -8.162 10.198 4.886 432 3HD2 LEU 55 HD23 LEU 55 -8.878 8.951 5.907 433 H GLU 56 HN GLU 56 -5.092 5.604 4.593 434 HA GLU 56 HA GLU 56 -5.067 4.244 7.095 435 1HB GLU 56 HB2 GLU 56 -3.304 4.128 4.632 436 2HB GLU 56 HB1 GLU 56 -3.193 2.957 5.947 437 1HG GLU 56 HG2 GLU 56 -5.557 2.360 5.640 438 2HG GLU 56 HG1 GLU 56 -5.701 3.553 4.349 439 H ASN 57 HN ASN 57 -2.653 6.405 5.602 440 HA ASN 57 HA ASN 57 -0.627 6.083 7.616 441 1HB ASN 57 HB2 ASN 57 -0.314 7.026 5.334 442 2HB ASN 57 HB1 ASN 57 -1.247 8.444 5.811 443 1HD2 ASN 57 HD21 ASN 57 0.879 9.618 5.286 444 2HD2 ASN 57 HD22 ASN 57 2.060 9.699 6.502 445 H TYR 58 HN TYR 58 -3.175 8.581 7.219 446 HA TYR 58 HA TYR 58 -2.526 10.126 9.524 447 1HB TYR 58 HB2 TYR 58 -5.207 9.572 8.218 448 2HB TYR 58 HB1 TYR 58 -4.858 10.914 9.303 449 HD1 TYR 58 HD1 TYR 58 -5.642 10.616 6.148 450 HD2 TYR 58 HD2 TYR 58 -2.122 11.704 8.361 451 HE1 TYR 58 HE1 TYR 58 -4.843 11.958 4.223 452 HE2 TYR 58 HE2 TYR 58 -1.324 13.042 6.432 453 HH TYR 58 HH TYR 58 -2.334 12.725 3.432 454 H CYS 59 HN CYS 59 -4.483 7.194 9.162 455 HA CYS 59 HA CYS 59 -5.299 7.246 12.003 456 1HB CYS 59 HB2 CYS 59 -6.795 6.539 10.124 457 2HB CYS 59 HB1 CYS 59 -5.704 5.192 9.799 458 H ASN 60 HN ASN 60 -2.694 7.223 12.214 459 HA ASN 60 HA ASN 60 -1.298 4.721 11.914 460 1HB ASN 60 HB2 ASN 60 -0.947 7.195 13.622 461 2HB ASN 60 HB1 ASN 60 0.207 5.862 13.672 462 1HD2 ASN 60 HD21 ASN 60 0.611 8.653 12.607 463 2HD2 ASN 60 HD22 ASN 60 1.089 8.451 10.991 Start of MODEL 4 1 1H PHE 1 HT1 PHE 1 -22.006 -4.209 -5.903 2 2H PHE 1 HT2 PHE 1 -20.984 -5.542 -6.149 3 3H PHE 1 HT3 PHE 1 -21.110 -4.334 -7.337 4 HA PHE 1 HA PHE 1 -19.754 -4.201 -4.703 5 1HB PHE 1 HB2 PHE 1 -18.581 -5.011 -6.736 6 2HB PHE 1 HB1 PHE 1 -19.020 -3.524 -7.574 7 HD1 PHE 1 HD1 PHE 1 -16.904 -5.011 -4.953 8 HD2 PHE 1 HD2 PHE 1 -17.967 -1.390 -7.006 9 HE1 PHE 1 HE1 PHE 1 -14.897 -3.893 -4.020 10 HE2 PHE 1 HE2 PHE 1 -15.960 -0.273 -6.072 11 HZ PHE 1 HZ PHE 1 -14.425 -1.524 -4.579 12 H VAL 2 HN VAL 2 -19.264 -2.087 -3.884 13 HA VAL 2 HA VAL 2 -20.699 0.167 -5.164 14 HB VAL 2 HB VAL 2 -21.302 0.851 -2.853 15 1HG1 VAL 2 HG11 VAL 2 -22.129 -2.022 -3.100 16 2HG1 VAL 2 HG12 VAL 2 -22.623 -0.870 -4.342 17 3HG1 VAL 2 HG13 VAL 2 -23.103 -0.618 -2.664 18 1HG2 VAL 2 HG21 VAL 2 -20.478 -1.835 -1.826 19 2HG2 VAL 2 HG22 VAL 2 -20.650 -0.311 -0.956 20 3HG2 VAL 2 HG23 VAL 2 -19.236 -0.593 -1.970 21 H ASN 3 HN ASN 3 -19.785 2.280 -4.598 22 HA ASN 3 HA ASN 3 -17.201 2.444 -3.232 23 1HB ASN 3 HB2 ASN 3 -16.797 1.460 -5.561 24 2HB ASN 3 HB1 ASN 3 -17.326 3.013 -6.207 25 1HD2 ASN 3 HD21 ASN 3 -14.597 1.883 -6.419 26 2HD2 ASN 3 HD22 ASN 3 -13.564 2.974 -5.629 27 H GLN 4 HN GLN 4 -18.943 3.885 -2.209 28 HA GLN 4 HA GLN 4 -19.733 6.305 -3.647 29 1HB GLN 4 HB2 GLN 4 -19.834 5.608 -0.698 30 2HB GLN 4 HB1 GLN 4 -20.773 6.857 -1.503 31 1HG GLN 4 HG2 GLN 4 -20.944 3.911 -2.218 32 2HG GLN 4 HG1 GLN 4 -22.054 4.718 -1.107 33 1HE2 GLN 4 HE21 GLN 4 -22.558 7.148 -2.354 34 2HE2 GLN 4 HE22 GLN 4 -23.255 6.894 -3.881 35 H HIS 5 HN HIS 5 -19.084 8.463 -2.900 36 HA HIS 5 HA HIS 5 -16.207 8.702 -2.532 37 1HB HIS 5 HB2 HIS 5 -18.463 10.736 -2.398 38 2HB HIS 5 HB1 HIS 5 -16.755 11.117 -2.588 39 HD1 HIS 5 HD1 HIS 5 -15.610 10.155 -4.855 40 HD2 HIS 5 HD2 HIS 5 -19.778 10.177 -4.777 41 HE1 HIS 5 HE1 HIS 5 -16.374 9.904 -7.258 42 H LEU 6 HN LEU 6 -15.181 8.661 -0.544 43 HA LEU 6 HA LEU 6 -16.609 8.504 1.938 44 1HB LEU 6 HB2 LEU 6 -13.721 9.049 1.202 45 2HB LEU 6 HB1 LEU 6 -14.258 8.821 2.866 46 HG LEU 6 HG LEU 6 -14.690 6.823 0.631 47 1HD1 LEU 6 HD11 LEU 6 -12.284 7.364 1.709 48 2HD1 LEU 6 HD12 LEU 6 -12.770 5.730 1.258 49 3HD1 LEU 6 HD13 LEU 6 -12.895 6.256 2.937 50 1HD2 LEU 6 HD21 LEU 6 -16.146 5.858 2.058 51 2HD2 LEU 6 HD22 LEU 6 -15.857 7.126 3.247 52 3HD2 LEU 6 HD23 LEU 6 -14.852 5.677 3.241 53 H CYS 7 HN CYS 7 -17.951 10.332 2.128 54 HA CYS 7 HA CYS 7 -16.584 12.845 2.934 55 1HB CYS 7 HB2 CYS 7 -17.843 12.349 0.387 56 2HB CYS 7 HB1 CYS 7 -18.827 13.513 1.266 57 H GLY 8 HN GLY 8 -18.488 14.433 3.658 58 1HA GLY 8 HA2 GLY 8 -20.176 14.803 5.246 59 2HA GLY 8 HA1 GLY 8 -21.060 13.560 4.354 60 H SER 9 HN SER 9 -21.861 12.206 5.961 61 HA SER 9 HA SER 9 -20.427 11.660 8.439 62 1HB SER 9 HB2 SER 9 -22.863 10.487 7.074 63 2HB SER 9 HB1 SER 9 -22.335 10.000 8.682 64 HG SER 9 HG SER 9 -23.790 12.103 7.994 65 H HIS 10 HN HIS 10 -20.595 10.140 5.290 66 HA HIS 10 HA HIS 10 -19.765 7.488 5.947 67 1HB HIS 10 HB2 HIS 10 -19.428 9.250 3.506 68 2HB HIS 10 HB1 HIS 10 -19.020 7.535 3.516 69 HD1 HIS 10 HD1 HIS 10 -20.933 5.874 3.338 70 HD2 HIS 10 HD2 HIS 10 -22.264 9.773 3.972 71 HE1 HIS 10 HE1 HIS 10 -23.451 5.825 3.067 72 H LEU 11 HN LEU 11 -17.865 10.411 5.217 73 HA LEU 11 HA LEU 11 -15.280 9.227 5.066 74 1HB LEU 11 HB2 LEU 11 -15.871 11.533 4.411 75 2HB LEU 11 HB1 LEU 11 -16.171 11.943 6.099 76 HG LEU 11 HG LEU 11 -13.771 11.292 6.583 77 1HD1 LEU 11 HD11 LEU 11 -12.229 11.153 4.690 78 2HD1 LEU 11 HD12 LEU 11 -13.562 11.379 3.558 79 3HD1 LEU 11 HD13 LEU 11 -13.473 9.912 4.533 80 1HD2 LEU 11 HD21 LEU 11 -13.314 13.432 4.674 81 2HD2 LEU 11 HD22 LEU 11 -13.363 13.508 6.434 82 3HD2 LEU 11 HD23 LEU 11 -14.850 13.676 5.504 83 H VAL 12 HN VAL 12 -17.040 10.512 7.915 84 HA VAL 12 HA VAL 12 -14.942 10.095 9.829 85 HB VAL 12 HB VAL 12 -17.970 10.190 10.033 86 1HG1 VAL 12 HG11 VAL 12 -17.331 9.199 12.078 87 2HG1 VAL 12 HG12 VAL 12 -17.372 10.922 12.453 88 3HG1 VAL 12 HG13 VAL 12 -15.829 10.120 12.158 89 1HG2 VAL 12 HG21 VAL 12 -17.268 12.522 10.981 90 2HG2 VAL 12 HG22 VAL 12 -17.241 12.274 9.235 91 3HG2 VAL 12 HG23 VAL 12 -15.740 12.209 10.160 92 H GLU 13 HN GLU 13 -17.736 8.060 8.929 93 HA GLU 13 HA GLU 13 -17.214 5.883 10.680 94 1HB GLU 13 HB2 GLU 13 -19.307 6.276 9.403 95 2HB GLU 13 HB1 GLU 13 -18.449 5.912 7.907 96 1HG GLU 13 HG2 GLU 13 -19.681 3.931 8.679 97 2HG GLU 13 HG1 GLU 13 -17.945 3.638 8.758 98 H ALA 14 HN ALA 14 -16.069 6.575 7.400 99 HA ALA 14 HA ALA 14 -14.701 4.144 6.870 100 1HB ALA 14 HB1 ALA 14 -13.931 6.955 6.035 101 2HB ALA 14 HB2 ALA 14 -15.246 6.042 5.296 102 3HB ALA 14 HB3 ALA 14 -13.585 5.462 5.161 103 H LEU 15 HN LEU 15 -13.629 7.114 8.533 104 HA LEU 15 HA LEU 15 -10.877 6.443 8.871 105 1HB LEU 15 HB2 LEU 15 -12.844 8.062 10.515 106 2HB LEU 15 HB1 LEU 15 -11.113 8.031 10.848 107 HG LEU 15 HG LEU 15 -12.340 8.829 8.192 108 1HD1 LEU 15 HD11 LEU 15 -12.803 10.768 9.277 109 2HD1 LEU 15 HD12 LEU 15 -11.062 11.043 9.255 110 3HD1 LEU 15 HD13 LEU 15 -11.822 10.324 10.674 111 1HD2 LEU 15 HD21 LEU 15 -9.875 9.824 8.096 112 2HD2 LEU 15 HD22 LEU 15 -10.184 8.145 7.654 113 3HD2 LEU 15 HD23 LEU 15 -9.550 8.532 9.253 114 H TYR 16 HN TYR 16 -13.727 5.696 10.887 115 HA TYR 16 HA TYR 16 -12.371 4.480 13.088 116 1HB TYR 16 HB2 TYR 16 -14.787 5.138 12.934 117 2HB TYR 16 HB1 TYR 16 -15.056 3.770 11.854 118 HD1 TYR 16 HD1 TYR 16 -14.881 1.451 12.681 119 HD2 TYR 16 HD2 TYR 16 -14.397 4.815 15.310 120 HE1 TYR 16 HE1 TYR 16 -15.161 -0.040 14.643 121 HE2 TYR 16 HE2 TYR 16 -14.675 3.322 17.271 122 HH TYR 16 HH TYR 16 -15.902 0.965 17.626 123 H LEU 17 HN LEU 17 -13.762 2.985 10.155 124 HA LEU 17 HA LEU 17 -12.824 0.332 10.719 125 1HB LEU 17 HB2 LEU 17 -13.770 1.762 8.254 126 2HB LEU 17 HB1 LEU 17 -13.422 0.039 8.271 127 HG LEU 17 HG LEU 17 -15.351 1.374 10.187 128 1HD1 LEU 17 HD11 LEU 17 -17.107 0.277 8.731 129 2HD1 LEU 17 HD12 LEU 17 -15.841 -0.011 7.538 130 3HD1 LEU 17 HD13 LEU 17 -16.278 1.640 7.979 131 1HD2 LEU 17 HD21 LEU 17 -16.140 -1.051 10.356 132 2HD2 LEU 17 HD22 LEU 17 -14.558 -0.712 11.058 133 3HD2 LEU 17 HD23 LEU 17 -14.674 -1.492 9.481 134 H VAL 18 HN VAL 18 -11.508 3.029 8.825 135 HA VAL 18 HA VAL 18 -9.348 1.565 7.609 136 HB VAL 18 HB VAL 18 -9.930 4.464 8.147 137 1HG1 VAL 18 HG11 VAL 18 -7.778 4.948 7.657 138 2HG1 VAL 18 HG12 VAL 18 -8.091 4.341 6.032 139 3HG1 VAL 18 HG13 VAL 18 -7.429 3.266 7.263 140 1HG2 VAL 18 HG21 VAL 18 -9.787 3.375 5.403 141 2HG2 VAL 18 HG22 VAL 18 -10.984 4.451 6.123 142 3HG2 VAL 18 HG23 VAL 18 -11.083 2.712 6.399 143 H CYS 19 HN CYS 19 -9.393 3.777 10.425 144 HA CYS 19 HA CYS 19 -6.619 3.323 11.095 145 1HB CYS 19 HB2 CYS 19 -9.004 4.437 12.543 146 2HB CYS 19 HB1 CYS 19 -7.399 4.410 13.267 147 H GLY 20 HN GLY 20 -9.680 1.922 12.225 148 1HA GLY 20 HA2 GLY 20 -9.904 -0.365 12.905 149 2HA GLY 20 HA1 GLY 20 -8.178 -0.401 13.229 150 H GLU 21 HN GLU 21 -7.841 1.751 14.945 151 HA GLU 21 HA GLU 21 -9.681 1.128 17.203 152 1HB GLU 21 HB2 GLU 21 -6.666 1.430 17.210 153 2HB GLU 21 HB1 GLU 21 -7.656 1.151 18.642 154 1HG GLU 21 HG2 GLU 21 -7.056 -1.031 18.140 155 2HG GLU 21 HG1 GLU 21 -8.550 -0.901 17.214 156 H ARG 22 HN ARG 22 -10.084 2.851 18.646 157 HA ARG 22 HA ARG 22 -9.910 5.527 17.569 158 1HB ARG 22 HB2 ARG 22 -11.784 4.678 18.919 159 2HB ARG 22 HB1 ARG 22 -10.701 4.443 20.290 160 1HG ARG 22 HG2 ARG 22 -10.279 6.836 20.429 161 2HG ARG 22 HG1 ARG 22 -11.229 7.122 18.970 162 1HD ARG 22 HD2 ARG 22 -12.455 5.752 21.372 163 2HD ARG 22 HD1 ARG 22 -12.423 7.522 21.235 164 HE ARG 22 HE ARG 22 -14.018 5.714 19.577 165 1HH1 ARG 22 HH11 ARG 22 -15.107 8.315 20.355 166 2HH1 ARG 22 HH12 ARG 22 -14.896 9.283 18.935 167 1HH2 ARG 22 HH21 ARG 22 -12.574 7.147 17.499 168 2HH2 ARG 22 HH22 ARG 22 -13.464 8.621 17.317 169 H GLY 23 HN GLY 23 -7.615 3.658 19.224 170 1HA GLY 23 HA2 GLY 23 -6.443 5.283 21.139 171 2HA GLY 23 HA1 GLY 23 -5.520 4.205 20.100 172 H PHE 24 HN PHE 24 -6.437 5.881 17.662 173 HA PHE 24 HA PHE 24 -4.145 7.668 17.708 174 1HB PHE 24 HB2 PHE 24 -4.914 8.247 15.434 175 2HB PHE 24 HB1 PHE 24 -4.917 6.505 15.682 176 HD1 PHE 24 HD1 PHE 24 -7.154 9.495 15.864 177 HD2 PHE 24 HD2 PHE 24 -6.855 5.267 15.240 178 HE1 PHE 24 HE1 PHE 24 -9.547 9.430 15.209 179 HE2 PHE 24 HE2 PHE 24 -9.249 5.190 14.597 180 HZ PHE 24 HZ PHE 24 -10.596 7.272 14.581 181 H PHE 25 HN PHE 25 -4.094 9.893 17.942 182 HA PHE 25 HA PHE 25 -6.275 11.146 19.393 183 1HB PHE 25 HB2 PHE 25 -3.602 12.087 18.326 184 2HB PHE 25 HB1 PHE 25 -4.645 13.075 19.349 185 HD1 PHE 25 HD1 PHE 25 -5.480 11.904 21.573 186 HD2 PHE 25 HD2 PHE 25 -2.011 10.712 19.337 187 HE1 PHE 25 HE1 PHE 25 -4.565 10.784 23.588 188 HE2 PHE 25 HE2 PHE 25 -1.097 9.592 21.351 189 HZ PHE 25 HZ PHE 25 -2.374 9.627 23.477 190 H TYR 26 HN TYR 26 -4.961 11.337 16.118 191 HA TYR 26 HA TYR 26 -5.721 12.437 14.182 192 1HB TYR 26 HB2 TYR 26 -7.840 11.172 15.239 193 2HB TYR 26 HB1 TYR 26 -8.415 12.827 15.407 194 HD1 TYR 26 HD1 TYR 26 -7.610 14.304 13.185 195 HD2 TYR 26 HD2 TYR 26 -8.618 10.130 13.302 196 HE1 TYR 26 HE1 TYR 26 -8.157 14.371 10.769 197 HE2 TYR 26 HE2 TYR 26 -9.165 10.197 10.883 198 HH TYR 26 HH TYR 26 -8.379 12.915 8.892 199 H THR 27 HN THR 27 -4.303 14.216 15.248 200 HA THR 27 HA THR 27 -5.892 16.701 15.275 201 HB THR 27 HB THR 27 -5.778 16.080 17.619 202 HG1 THR 27 HG1 THR 27 -4.364 17.818 18.357 203 1HG2 THR 27 HG21 THR 27 -4.102 14.745 18.310 204 2HG2 THR 27 HG22 THR 27 -3.027 16.141 18.238 205 3HG2 THR 27 HG23 THR 27 -3.175 15.070 16.845 206 HA PRO 28 HA PRO 28 -1.784 16.822 13.040 207 1HB PRO 28 HB2 PRO 28 -2.782 17.755 10.660 208 2HB PRO 28 HB1 PRO 28 -2.629 16.027 11.037 209 1HG PRO 28 HG2 PRO 28 -5.032 17.789 11.180 210 2HG PRO 28 HG1 PRO 28 -4.887 16.124 10.591 211 1HD PRO 28 HD2 PRO 28 -5.881 16.711 13.033 212 2HD PRO 28 HD1 PRO 28 -4.963 15.223 12.708 213 H LYS 29 HN LYS 29 -0.713 18.835 12.349 214 HA LYS 29 HA LYS 29 -1.474 21.121 13.884 215 1HB LYS 29 HB2 LYS 29 0.827 20.418 13.126 216 2HB LYS 29 HB1 LYS 29 0.400 20.985 11.510 217 1HG LYS 29 HG2 LYS 29 -0.090 23.235 12.465 218 2HG LYS 29 HG1 LYS 29 0.454 22.656 14.040 219 1HD LYS 29 HD2 LYS 29 2.197 22.507 11.575 220 2HD LYS 29 HD1 LYS 29 2.193 23.909 12.645 221 1HE LYS 29 HE2 LYS 29 2.561 21.155 13.813 222 2HE LYS 29 HE1 LYS 29 3.941 22.002 13.090 223 1HZ LYS 29 HZ1 LYS 29 3.075 23.996 14.465 224 2HZ LYS 29 HZ2 LYS 29 3.953 22.778 15.259 225 3HZ LYS 29 HZ3 LYS 29 2.259 22.819 15.376 226 H THR 30 HN THR 30 -1.859 20.352 10.425 227 HA THR 30 HA THR 30 -3.057 21.468 8.710 228 HB THR 30 HB THR 30 -4.690 22.395 11.092 229 HG1 THR 30 HG1 THR 30 -4.882 19.951 9.679 230 1HG2 THR 30 HG21 THR 30 -6.573 22.144 9.485 231 2HG2 THR 30 HG22 THR 30 -5.410 21.741 8.222 232 3HG2 THR 30 HG23 THR 30 -5.398 23.345 8.953 233 H ARG 31 HN ARG 31 -0.808 22.892 9.421 234 HA ARG 31 HA ARG 31 0.177 25.035 9.514 235 1HB ARG 31 HB2 ARG 31 -2.343 25.376 7.865 236 2HB ARG 31 HB1 ARG 31 -1.077 26.602 7.948 237 1HG ARG 31 HG2 ARG 31 0.573 24.961 7.130 238 2HG ARG 31 HG1 ARG 31 -0.690 23.733 7.043 239 1HD ARG 31 HD2 ARG 31 -1.947 25.395 5.504 240 2HD ARG 31 HD1 ARG 31 -0.384 26.225 5.359 241 HE ARG 31 HE ARG 31 -0.904 23.405 4.531 242 1HH1 ARG 31 HH21 ARG 31 1.895 23.761 5.454 243 2HH1 ARG 31 HH22 ARG 31 2.710 24.250 4.007 244 1HH2 ARG 31 HH11 ARG 31 -0.207 25.085 2.330 245 2HH2 ARG 31 HH12 ARG 31 1.520 24.996 2.236 246 H ARG 32 HN ARG 32 -3.035 26.511 9.403 247 HA ARG 32 HA ARG 32 -2.513 27.944 11.885 248 1HB ARG 32 HB2 ARG 32 -4.492 29.192 11.224 249 2HB ARG 32 HB1 ARG 32 -3.496 28.927 9.795 250 1HG ARG 32 HG2 ARG 32 -4.918 26.911 9.271 251 2HG ARG 32 HG1 ARG 32 -5.959 27.380 10.607 252 1HD ARG 32 HD2 ARG 32 -6.266 29.626 9.478 253 2HD ARG 32 HD1 ARG 32 -5.408 28.956 8.076 254 HE ARG 32 HE ARG 32 -7.816 27.573 9.185 255 1HH1 ARG 32 HH11 ARG 32 -7.062 29.849 6.872 256 2HH1 ARG 32 HH12 ARG 32 -7.677 28.956 5.522 257 1HH2 ARG 32 HH21 ARG 32 -8.164 26.038 7.332 258 2HH2 ARG 32 HH22 ARG 32 -8.296 26.798 5.781 259 H TYR 33 HN TYR 33 -3.945 27.835 13.768 260 HA TYR 33 HA TYR 33 -4.876 25.135 14.351 261 1HB TYR 33 HB2 TYR 33 -5.014 27.751 15.877 262 2HB TYR 33 HB1 TYR 33 -5.411 26.178 16.552 263 HD1 TYR 33 HD1 TYR 33 -2.757 28.469 15.641 264 HD2 TYR 33 HD2 TYR 33 -3.630 24.387 16.658 265 HE1 TYR 33 HE1 TYR 33 -0.360 28.081 16.143 266 HE2 TYR 33 HE2 TYR 33 -1.231 24.000 17.157 267 HH TYR 33 HH TYR 33 0.940 26.379 17.689 268 HA PRO 34 HA PRO 34 -9.185 27.156 14.302 269 1HB PRO 34 HB2 PRO 34 -9.531 29.613 13.167 270 2HB PRO 34 HB1 PRO 34 -9.105 29.396 14.875 271 1HG PRO 34 HG2 PRO 34 -7.421 30.247 12.604 272 2HG PRO 34 HG1 PRO 34 -7.304 30.660 14.319 273 1HD PRO 34 HD2 PRO 34 -5.723 28.800 12.955 274 2HD PRO 34 HD1 PRO 34 -5.858 28.981 14.713 275 H GLY 35 HN GLY 35 -10.863 27.136 12.562 276 1HA GLY 35 HA2 GLY 35 -11.375 27.389 10.160 277 2HA GLY 35 HA1 GLY 35 -9.714 26.900 9.822 278 H ASP 36 HN ASP 36 -12.619 25.772 9.410 279 HA ASP 36 HA ASP 36 -11.788 22.945 9.661 280 1HB ASP 36 HB2 ASP 36 -13.769 22.376 11.011 281 2HB ASP 36 HB1 ASP 36 -12.778 23.568 11.845 282 H VAL 37 HN VAL 37 -13.812 21.552 8.896 283 HA VAL 37 HA VAL 37 -14.926 20.884 6.932 284 HB VAL 37 HB VAL 37 -16.540 22.084 8.444 285 1HG1 VAL 37 HG11 VAL 37 -15.848 24.365 8.329 286 2HG1 VAL 37 HG12 VAL 37 -17.406 24.294 7.509 287 3HG1 VAL 37 HG13 VAL 37 -15.920 24.376 6.567 288 1HG2 VAL 37 HG21 VAL 37 -18.045 22.663 6.211 289 2HG2 VAL 37 HG22 VAL 37 -17.838 21.054 6.900 290 3HG2 VAL 37 HG23 VAL 37 -16.820 21.575 5.558 291 H LYS 38 HN LYS 38 -12.495 22.584 6.388 292 HA LYS 38 HA LYS 38 -13.029 23.059 3.539 293 1HB LYS 38 HB2 LYS 38 -13.837 25.102 4.848 294 2HB LYS 38 HB1 LYS 38 -12.155 25.369 5.303 295 1HG LYS 38 HG2 LYS 38 -11.571 25.411 2.850 296 2HG LYS 38 HG1 LYS 38 -13.294 25.336 2.494 297 1HD LYS 38 HD2 LYS 38 -13.706 27.457 3.422 298 2HD LYS 38 HD1 LYS 38 -12.197 27.451 4.336 299 1HE LYS 38 HE2 LYS 38 -10.969 27.467 2.102 300 2HE LYS 38 HE1 LYS 38 -12.539 27.798 1.342 301 1HZ LYS 38 HZ1 LYS 38 -11.457 29.871 1.899 302 2HZ LYS 38 HZ2 LYS 38 -11.267 29.381 3.514 303 3HZ LYS 38 HZ3 LYS 38 -12.820 29.664 2.887 304 H ARG 39 HN ARG 39 -11.208 21.464 5.334 305 HA ARG 39 HA ARG 39 -8.567 22.618 5.243 306 1HB ARG 39 HB2 ARG 39 -9.391 20.867 6.824 307 2HB ARG 39 HB1 ARG 39 -9.428 19.727 5.477 308 1HG ARG 39 HG2 ARG 39 -7.013 20.071 5.112 309 2HG ARG 39 HG1 ARG 39 -6.971 21.209 6.460 310 1HD ARG 39 HD2 ARG 39 -7.889 18.328 6.744 311 2HD ARG 39 HD1 ARG 39 -6.239 18.878 7.097 312 HE ARG 39 HE ARG 39 -7.820 20.669 8.492 313 1HH1 ARG 39 HH11 ARG 39 -9.225 17.740 8.247 314 2HH1 ARG 39 HH12 ARG 39 -9.014 17.252 9.895 315 1HH2 ARG 39 HH21 ARG 39 -6.828 19.835 10.656 316 2HH2 ARG 39 HH22 ARG 39 -7.654 18.438 11.260 317 H GLY 40 HN GLY 40 -10.284 20.284 3.193 318 1HA GLY 40 HA2 GLY 40 -9.591 20.700 0.704 319 2HA GLY 40 HA1 GLY 40 -7.981 20.296 1.303 320 H ILE 41 HN ILE 41 -8.817 18.247 3.163 321 HA ILE 41 HA ILE 41 -8.843 15.947 1.460 322 HB ILE 41 HB ILE 41 -9.683 16.283 4.365 323 1HG1 ILE 41 HG12 ILE 41 -7.002 15.456 3.202 324 2HG1 ILE 41 HG11 ILE 41 -7.361 17.075 3.801 325 1HG2 ILE 41 HG21 ILE 41 -8.871 13.837 4.435 326 2HG2 ILE 41 HG22 ILE 41 -9.013 13.867 2.677 327 3HG2 ILE 41 HG23 ILE 41 -10.437 14.137 3.682 328 1HD1 ILE 41 HD11 ILE 41 -7.545 16.357 6.026 329 2HD1 ILE 41 HD12 ILE 41 -6.239 15.340 5.419 330 3HD1 ILE 41 HD13 ILE 41 -7.870 14.687 5.561 331 H VAL 42 HN VAL 42 -11.444 17.540 3.295 332 HA VAL 42 HA VAL 42 -13.547 15.741 2.571 333 HB VAL 42 HB VAL 42 -14.987 17.587 3.374 334 1HG1 VAL 42 HG11 VAL 42 -12.467 17.458 5.041 335 2HG1 VAL 42 HG12 VAL 42 -13.618 16.126 4.939 336 3HG1 VAL 42 HG13 VAL 42 -14.124 17.679 5.605 337 1HG2 VAL 42 HG21 VAL 42 -14.098 19.578 2.508 338 2HG2 VAL 42 HG22 VAL 42 -12.451 19.165 2.976 339 3HG2 VAL 42 HG23 VAL 42 -13.614 19.662 4.201 340 H GLU 43 HN GLU 43 -12.417 18.760 1.048 341 HA GLU 43 HA GLU 43 -14.505 18.902 -0.925 342 1HB GLU 43 HB2 GLU 43 -11.705 20.027 -0.714 343 2HB GLU 43 HB1 GLU 43 -12.817 20.469 -2.010 344 1HG GLU 43 HG2 GLU 43 -14.445 21.291 -0.384 345 2HG GLU 43 HG1 GLU 43 -13.414 20.771 0.948 346 H GLN 44 HN GLN 44 -11.233 17.499 -0.996 347 HA GLN 44 HA GLN 44 -11.198 16.848 -3.796 348 1HB GLN 44 HB2 GLN 44 -9.741 15.808 -1.359 349 2HB GLN 44 HB1 GLN 44 -9.333 15.311 -3.002 350 1HG GLN 44 HG2 GLN 44 -8.886 17.628 -3.631 351 2HG GLN 44 HG1 GLN 44 -9.388 18.184 -2.033 352 1HE2 GLN 44 HE21 GLN 44 -6.647 18.183 -3.504 353 2HE2 GLN 44 HE22 GLN 44 -5.587 17.512 -2.360 354 H CYS 45 HN CYS 45 -12.170 14.912 -0.941 355 HA CYS 45 HA CYS 45 -12.594 12.483 -2.486 356 1HB CYS 45 HB2 CYS 45 -13.569 13.359 0.252 357 2HB CYS 45 HB1 CYS 45 -13.591 11.704 -0.350 358 H CYS 46 HN CYS 46 -14.707 15.113 -1.365 359 HA CYS 46 HA CYS 46 -17.223 13.920 -1.982 360 1HB CYS 46 HB2 CYS 46 -16.077 16.644 -1.634 361 2HB CYS 46 HB1 CYS 46 -17.649 16.548 -2.424 362 H THR 47 HN THR 47 -15.083 15.950 -4.023 363 HA THR 47 HA THR 47 -16.803 15.807 -6.361 364 HB THR 47 HB THR 47 -13.856 16.477 -6.069 365 HG1 THR 47 HG1 THR 47 -14.501 18.394 -5.436 366 1HG2 THR 47 HG21 THR 47 -14.281 17.836 -8.118 367 2HG2 THR 47 HG22 THR 47 -15.903 17.150 -8.201 368 3HG2 THR 47 HG23 THR 47 -14.494 16.107 -8.396 369 H SER 48 HN SER 48 -13.872 14.044 -5.324 370 HA SER 48 HA SER 48 -14.465 11.996 -7.430 371 1HB SER 48 HB2 SER 48 -12.010 11.930 -7.859 372 2HB SER 48 HB1 SER 48 -12.703 13.510 -8.212 373 HG SER 48 HG SER 48 -10.777 13.628 -6.953 374 H ILE 49 HN ILE 49 -13.559 9.876 -6.926 375 HA ILE 49 HA ILE 49 -13.858 9.095 -4.171 376 HB ILE 49 HB ILE 49 -12.630 7.698 -6.576 377 1HG1 ILE 49 HG12 ILE 49 -15.425 7.478 -5.425 378 2HG1 ILE 49 HG11 ILE 49 -15.014 8.537 -6.773 379 1HG2 ILE 49 HG21 ILE 49 -13.899 6.342 -4.201 380 2HG2 ILE 49 HG22 ILE 49 -12.186 6.758 -4.185 381 3HG2 ILE 49 HG23 ILE 49 -12.813 5.660 -5.412 382 1HD1 ILE 49 HD11 ILE 49 -15.332 5.606 -6.718 383 2HD1 ILE 49 HD12 ILE 49 -13.896 6.159 -7.580 384 3HD1 ILE 49 HD13 ILE 49 -15.492 6.730 -8.067 385 H CYS 50 HN CYS 50 -12.345 8.891 -2.567 386 HA CYS 50 HA CYS 50 -9.563 9.769 -3.135 387 1HB CYS 50 HB2 CYS 50 -11.418 9.588 -0.792 388 2HB CYS 50 HB1 CYS 50 -9.684 9.541 -0.468 389 H SER 51 HN SER 51 -7.789 8.406 -2.789 390 HA SER 51 HA SER 51 -8.280 5.530 -2.859 391 1HB SER 51 HB2 SER 51 -5.786 5.503 -3.019 392 2HB SER 51 HB1 SER 51 -6.525 6.615 -4.165 393 HG SER 51 HG SER 51 -5.787 8.281 -3.042 394 H LEU 52 HN LEU 52 -7.395 4.003 -1.331 395 HA LEU 52 HA LEU 52 -7.944 4.498 1.402 396 1HB LEU 52 HB2 LEU 52 -7.899 2.284 0.309 397 2HB LEU 52 HB1 LEU 52 -6.156 2.426 0.088 398 HG LEU 52 HG LEU 52 -5.933 2.640 2.592 399 1HD1 LEU 52 HD11 LEU 52 -8.266 3.376 3.014 400 2HD1 LEU 52 HD12 LEU 52 -7.851 1.952 3.968 401 3HD1 LEU 52 HD13 LEU 52 -8.845 1.785 2.520 402 1HD2 LEU 52 HD21 LEU 52 -5.511 0.494 1.508 403 2HD2 LEU 52 HD22 LEU 52 -7.237 0.133 1.484 404 3HD2 LEU 52 HD23 LEU 52 -6.374 0.213 3.020 405 H TYR 53 HN TYR 53 -4.975 4.870 -0.459 406 HA TYR 53 HA TYR 53 -3.074 5.014 1.642 407 1HB TYR 53 HB2 TYR 53 -2.541 4.858 -0.744 408 2HB TYR 53 HB1 TYR 53 -3.206 6.466 -0.994 409 HD1 TYR 53 HD1 TYR 53 -1.895 8.398 -0.657 410 HD2 TYR 53 HD2 TYR 53 -0.550 4.615 0.869 411 HE1 TYR 53 HE1 TYR 53 0.278 9.420 -0.043 412 HE2 TYR 53 HE2 TYR 53 1.627 5.637 1.480 413 HH TYR 53 HH TYR 53 2.123 9.020 1.499 414 H GLN 54 HN GLN 54 -5.161 7.572 0.273 415 HA GLN 54 HA GLN 54 -4.018 9.754 1.752 416 1HB GLN 54 HB2 GLN 54 -6.766 9.208 0.586 417 2HB GLN 54 HB1 GLN 54 -6.300 10.772 1.254 418 1HG GLN 54 HG2 GLN 54 -4.430 10.906 -0.349 419 2HG GLN 54 HG1 GLN 54 -4.893 9.342 -1.021 420 1HE2 GLN 54 HE21 GLN 54 -4.978 12.307 -2.082 421 2HE2 GLN 54 HE22 GLN 54 -6.537 12.422 -2.744 422 H LEU 55 HN LEU 55 -6.661 7.477 2.483 423 HA LEU 55 HA LEU 55 -7.503 8.663 4.960 424 1HB LEU 55 HB2 LEU 55 -7.536 5.810 3.917 425 2HB LEU 55 HB1 LEU 55 -8.448 6.363 5.321 426 HG LEU 55 HG LEU 55 -8.717 7.556 2.549 427 1HD1 LEU 55 HD11 LEU 55 -10.865 5.924 3.834 428 2HD1 LEU 55 HD12 LEU 55 -9.506 5.066 3.107 429 3HD1 LEU 55 HD13 LEU 55 -10.496 6.145 2.123 430 1HD2 LEU 55 HD21 LEU 55 -10.209 7.903 5.163 431 2HD2 LEU 55 HD22 LEU 55 -10.851 8.448 3.614 432 3HD2 LEU 55 HD23 LEU 55 -9.355 9.140 4.239 433 H GLU 56 HN GLU 56 -5.120 6.141 4.193 434 HA GLU 56 HA GLU 56 -4.339 5.440 6.843 435 1HB GLU 56 HB2 GLU 56 -2.895 5.492 4.177 436 2HB GLU 56 HB1 GLU 56 -2.213 4.745 5.622 437 1HG GLU 56 HG2 GLU 56 -4.180 3.262 5.787 438 2HG GLU 56 HG1 GLU 56 -4.861 4.005 4.341 439 H ASN 57 HN ASN 57 -3.165 7.982 4.657 440 HA ASN 57 HA ASN 57 -0.981 8.897 6.286 441 1HB ASN 57 HB2 ASN 57 -2.738 10.208 4.186 442 2HB ASN 57 HB1 ASN 57 -1.278 10.957 4.833 443 1HD2 ASN 57 HD21 ASN 57 0.512 8.824 4.968 444 2HD2 ASN 57 HD22 ASN 57 0.764 8.174 3.421 445 H TYR 58 HN TYR 58 -4.401 9.854 6.089 446 HA TYR 58 HA TYR 58 -4.260 12.084 7.892 447 1HB TYR 58 HB2 TYR 58 -6.565 10.212 7.286 448 2HB TYR 58 HB1 TYR 58 -6.689 11.840 7.934 449 HD1 TYR 58 HD1 TYR 58 -4.439 13.045 6.115 450 HD2 TYR 58 HD2 TYR 58 -7.872 10.585 5.311 451 HE1 TYR 58 HE1 TYR 58 -4.546 13.941 3.804 452 HE2 TYR 58 HE2 TYR 58 -7.971 11.478 3.003 453 HH TYR 58 HH TYR 58 -5.426 13.353 1.643 454 H CYS 59 HN CYS 59 -4.285 8.641 8.482 455 HA CYS 59 HA CYS 59 -5.277 8.912 11.246 456 1HB CYS 59 HB2 CYS 59 -5.646 6.999 9.532 457 2HB CYS 59 HB1 CYS 59 -4.017 6.485 9.968 458 H ASN 60 HN ASN 60 -2.373 9.732 9.931 459 HA ASN 60 HA ASN 60 -0.484 8.361 11.655 460 1HB ASN 60 HB2 ASN 60 -0.510 10.794 9.884 461 2HB ASN 60 HB1 ASN 60 0.880 10.495 10.930 462 1HD2 ASN 60 HD21 ASN 60 1.713 8.082 10.768 463 2HD2 ASN 60 HD22 ASN 60 1.769 7.426 9.204 Start of MODEL 5 1 1H PHE 1 HT1 PHE 1 -20.108 -1.426 -10.497 2 2H PHE 1 HT2 PHE 1 -20.064 -2.122 -8.948 3 3H PHE 1 HT3 PHE 1 -19.272 -2.880 -10.246 4 HA PHE 1 HA PHE 1 -17.749 -1.661 -8.703 5 1HB PHE 1 HB2 PHE 1 -17.186 -2.294 -11.002 6 2HB PHE 1 HB1 PHE 1 -18.028 -0.877 -11.625 7 HD1 PHE 1 HD1 PHE 1 -15.018 -2.081 -9.867 8 HD2 PHE 1 HD2 PHE 1 -17.087 1.363 -11.387 9 HE1 PHE 1 HE1 PHE 1 -12.955 -0.726 -9.611 10 HE2 PHE 1 HE2 PHE 1 -15.026 2.716 -11.132 11 HZ PHE 1 HZ PHE 1 -12.960 1.672 -10.243 12 H VAL 2 HN VAL 2 -18.452 -0.066 -7.220 13 HA VAL 2 HA VAL 2 -19.000 2.609 -8.366 14 HB VAL 2 HB VAL 2 -20.607 2.881 -6.487 15 1HG1 VAL 2 HG11 VAL 2 -22.323 1.291 -7.363 16 2HG1 VAL 2 HG12 VAL 2 -21.049 0.465 -8.260 17 3HG1 VAL 2 HG13 VAL 2 -21.458 2.136 -8.647 18 1HG2 VAL 2 HG21 VAL 2 -20.890 1.324 -4.835 19 2HG2 VAL 2 HG22 VAL 2 -19.269 0.816 -5.305 20 3HG2 VAL 2 HG23 VAL 2 -20.677 -0.030 -5.944 21 H ASN 3 HN ASN 3 -18.321 4.364 -6.941 22 HA ASN 3 HA ASN 3 -16.627 3.736 -4.602 23 1HB ASN 3 HB2 ASN 3 -15.609 4.922 -7.212 24 2HB ASN 3 HB1 ASN 3 -14.690 4.940 -5.708 25 1HD2 ASN 3 HD21 ASN 3 -14.570 2.580 -4.657 26 2HD2 ASN 3 HD22 ASN 3 -14.225 1.326 -5.747 27 H GLN 4 HN GLN 4 -18.157 5.076 -3.506 28 HA GLN 4 HA GLN 4 -18.804 7.763 -4.452 29 1HB GLN 4 HB2 GLN 4 -19.219 6.403 -1.776 30 2HB GLN 4 HB1 GLN 4 -20.062 7.838 -2.343 31 1HG GLN 4 HG2 GLN 4 -21.141 6.605 -4.116 32 2HG GLN 4 HG1 GLN 4 -20.153 5.177 -3.802 33 1HE2 GLN 4 HE21 GLN 4 -22.786 4.616 -3.701 34 2HE2 GLN 4 HE22 GLN 4 -23.360 4.501 -2.108 35 H HIS 5 HN HIS 5 -18.305 9.702 -3.209 36 HA HIS 5 HA HIS 5 -15.504 9.865 -2.396 37 1HB HIS 5 HB2 HIS 5 -17.854 11.770 -2.522 38 2HB HIS 5 HB1 HIS 5 -16.260 12.281 -1.967 39 HD1 HIS 5 HD1 HIS 5 -17.609 13.306 -4.651 40 HD2 HIS 5 HD2 HIS 5 -14.765 10.272 -4.380 41 HE1 HIS 5 HE1 HIS 5 -16.489 13.168 -6.920 42 H LEU 6 HN LEU 6 -14.812 10.637 -0.253 43 HA LEU 6 HA LEU 6 -16.542 9.606 1.915 44 1HB LEU 6 HB2 LEU 6 -13.604 10.267 1.653 45 2HB LEU 6 HB1 LEU 6 -14.341 9.777 3.180 46 HG LEU 6 HG LEU 6 -14.552 8.153 0.638 47 1HD1 LEU 6 HD11 LEU 6 -12.850 6.669 1.771 48 2HD1 LEU 6 HD12 LEU 6 -12.586 7.968 2.935 49 3HD1 LEU 6 HD13 LEU 6 -12.213 8.222 1.230 50 1HD2 LEU 6 HD21 LEU 6 -15.859 6.756 1.847 51 2HD2 LEU 6 HD22 LEU 6 -15.984 8.053 3.034 52 3HD2 LEU 6 HD23 LEU 6 -14.759 6.800 3.223 53 H CYS 7 HN CYS 7 -17.942 11.357 2.272 54 HA CYS 7 HA CYS 7 -16.746 13.684 3.672 55 1HB CYS 7 HB2 CYS 7 -18.338 13.709 1.106 56 2HB CYS 7 HB1 CYS 7 -18.349 15.105 2.180 57 H GLY 8 HN GLY 8 -18.807 15.125 4.370 58 1HA GLY 8 HA2 GLY 8 -20.699 15.204 5.753 59 2HA GLY 8 HA1 GLY 8 -21.400 14.076 4.590 60 H SER 9 HN SER 9 -22.360 12.530 5.929 61 HA SER 9 HA SER 9 -21.174 11.664 8.447 62 1HB SER 9 HB2 SER 9 -23.120 10.218 8.511 63 2HB SER 9 HB1 SER 9 -23.620 11.769 7.844 64 HG SER 9 HG SER 9 -23.154 9.313 6.533 65 H HIS 10 HN HIS 10 -21.022 10.554 5.126 66 HA HIS 10 HA HIS 10 -20.220 7.841 5.539 67 1HB HIS 10 HB2 HIS 10 -20.888 9.303 3.427 68 2HB HIS 10 HB1 HIS 10 -19.142 9.519 3.298 69 HD1 HIS 10 HD1 HIS 10 -20.986 6.387 4.414 70 HD2 HIS 10 HD2 HIS 10 -18.542 7.677 1.292 71 HE1 HIS 10 HE1 HIS 10 -20.483 4.343 3.008 72 H LEU 11 HN LEU 11 -18.331 10.849 5.362 73 HA LEU 11 HA LEU 11 -15.713 9.727 5.339 74 1HB LEU 11 HB2 LEU 11 -16.294 12.091 4.916 75 2HB LEU 11 HB1 LEU 11 -16.779 12.280 6.600 76 HG LEU 11 HG LEU 11 -14.427 11.601 7.252 77 1HD1 LEU 11 HD11 LEU 11 -12.916 12.274 5.073 78 2HD1 LEU 11 HD12 LEU 11 -14.258 11.426 4.306 79 3HD1 LEU 11 HD13 LEU 11 -13.294 10.616 5.538 80 1HD2 LEU 11 HD21 LEU 11 -13.452 13.839 6.542 81 2HD2 LEU 11 HD22 LEU 11 -15.022 13.931 7.340 82 3HD2 LEU 11 HD23 LEU 11 -14.914 14.083 5.588 83 H VAL 12 HN VAL 12 -17.806 10.627 8.115 84 HA VAL 12 HA VAL 12 -15.938 10.068 10.196 85 HB VAL 12 HB VAL 12 -18.967 9.945 10.021 86 1HG1 VAL 12 HG11 VAL 12 -18.418 8.646 11.958 87 2HG1 VAL 12 HG12 VAL 12 -18.826 10.255 12.553 88 3HG1 VAL 12 HG13 VAL 12 -17.137 9.764 12.427 89 1HG2 VAL 12 HG21 VAL 12 -16.935 12.035 10.788 90 2HG2 VAL 12 HG22 VAL 12 -18.596 12.133 11.371 91 3HG2 VAL 12 HG23 VAL 12 -18.266 12.163 9.639 92 H GLU 13 HN GLU 13 -18.476 7.972 8.790 93 HA GLU 13 HA GLU 13 -17.905 5.640 10.316 94 1HB GLU 13 HB2 GLU 13 -19.028 6.086 7.540 95 2HB GLU 13 HB1 GLU 13 -19.030 4.509 8.330 96 1HG GLU 13 HG2 GLU 13 -20.255 7.002 9.542 97 2HG GLU 13 HG1 GLU 13 -21.171 5.797 8.636 98 H ALA 14 HN ALA 14 -16.577 6.771 7.235 99 HA ALA 14 HA ALA 14 -15.005 4.489 6.584 100 1HB ALA 14 HB1 ALA 14 -14.163 7.298 5.946 101 2HB ALA 14 HB2 ALA 14 -15.688 6.688 5.304 102 3HB ALA 14 HB3 ALA 14 -14.174 5.878 4.900 103 H LEU 15 HN LEU 15 -14.140 7.462 8.384 104 HA LEU 15 HA LEU 15 -11.382 6.879 8.775 105 1HB LEU 15 HB2 LEU 15 -13.431 8.418 10.389 106 2HB LEU 15 HB1 LEU 15 -11.706 8.443 10.756 107 HG LEU 15 HG LEU 15 -12.902 9.197 8.074 108 1HD1 LEU 15 HD11 LEU 15 -11.699 11.446 9.193 109 2HD1 LEU 15 HD12 LEU 15 -12.541 10.710 10.556 110 3HD1 LEU 15 HD13 LEU 15 -13.433 11.142 9.098 111 1HD2 LEU 15 HD21 LEU 15 -10.385 10.301 8.246 112 2HD2 LEU 15 HD22 LEU 15 -10.753 8.780 7.434 113 3HD2 LEU 15 HD23 LEU 15 -10.161 8.773 9.096 114 H TYR 16 HN TYR 16 -14.224 5.967 10.743 115 HA TYR 16 HA TYR 16 -12.824 4.791 12.938 116 1HB TYR 16 HB2 TYR 16 -15.519 4.574 11.659 117 2HB TYR 16 HB1 TYR 16 -15.079 3.347 12.846 118 HD1 TYR 16 HD1 TYR 16 -15.496 3.778 15.092 119 HD2 TYR 16 HD2 TYR 16 -14.952 7.077 12.399 120 HE1 TYR 16 HE1 TYR 16 -16.005 5.362 16.930 121 HE2 TYR 16 HE2 TYR 16 -15.463 8.662 14.235 122 HH TYR 16 HH TYR 16 -15.445 8.736 16.657 123 H LEU 17 HN LEU 17 -13.969 3.351 9.874 124 HA LEU 17 HA LEU 17 -13.079 0.687 10.459 125 1HB LEU 17 HB2 LEU 17 -13.691 2.164 7.917 126 2HB LEU 17 HB1 LEU 17 -13.437 0.427 7.987 127 HG LEU 17 HG LEU 17 -15.509 1.849 9.675 128 1HD1 LEU 17 HD11 LEU 17 -15.641 1.845 6.978 129 2HD1 LEU 17 HD12 LEU 17 -17.070 1.680 7.998 130 3HD1 LEU 17 HD13 LEU 17 -16.317 0.248 7.298 131 1HD2 LEU 17 HD21 LEU 17 -16.243 -0.280 10.256 132 2HD2 LEU 17 HD22 LEU 17 -14.517 -0.591 10.073 133 3HD2 LEU 17 HD23 LEU 17 -15.631 -1.008 8.772 134 H VAL 18 HN VAL 18 -11.579 3.364 8.635 135 HA VAL 18 HA VAL 18 -9.280 1.856 7.766 136 HB VAL 18 HB VAL 18 -9.900 4.785 8.053 137 1HG1 VAL 18 HG11 VAL 18 -7.503 3.445 6.777 138 2HG1 VAL 18 HG12 VAL 18 -7.489 4.635 8.078 139 3HG1 VAL 18 HG13 VAL 18 -7.971 5.115 6.451 140 1HG2 VAL 18 HG21 VAL 18 -9.995 2.773 5.814 141 2HG2 VAL 18 HG22 VAL 18 -9.942 4.505 5.488 142 3HG2 VAL 18 HG23 VAL 18 -11.287 3.821 6.400 143 H CYS 19 HN CYS 19 -9.811 4.066 10.508 144 HA CYS 19 HA CYS 19 -7.102 3.940 11.491 145 1HB CYS 19 HB2 CYS 19 -9.764 4.695 12.657 146 2HB CYS 19 HB1 CYS 19 -8.264 4.867 13.563 147 H GLY 20 HN GLY 20 -10.065 2.144 12.287 148 1HA GLY 20 HA2 GLY 20 -10.353 0.087 13.359 149 2HA GLY 20 HA1 GLY 20 -8.633 -0.192 13.105 150 H GLU 21 HN GLU 21 -9.485 2.704 14.804 151 HA GLU 21 HA GLU 21 -8.768 1.403 17.383 152 1HB GLU 21 HB2 GLU 21 -7.932 4.026 16.139 153 2HB GLU 21 HB1 GLU 21 -7.686 3.674 17.849 154 1HG GLU 21 HG2 GLU 21 -6.380 1.669 17.255 155 2HG GLU 21 HG1 GLU 21 -6.622 2.014 15.544 156 H ARG 22 HN ARG 22 -10.065 1.939 19.121 157 HA ARG 22 HA ARG 22 -12.659 3.032 18.753 158 1HB ARG 22 HB2 ARG 22 -11.955 1.523 20.574 159 2HB ARG 22 HB1 ARG 22 -10.922 2.791 21.230 160 1HG ARG 22 HG2 ARG 22 -12.868 4.203 21.665 161 2HG ARG 22 HG1 ARG 22 -13.931 3.010 20.917 162 1HD ARG 22 HD2 ARG 22 -13.540 1.419 22.661 163 2HD ARG 22 HD1 ARG 22 -12.169 2.350 23.296 164 HE ARG 22 HE ARG 22 -13.708 3.825 24.331 165 1HH1 ARG 22 HH21 ARG 22 -15.314 4.373 21.838 166 2HH1 ARG 22 HH22 ARG 22 -16.873 3.765 22.284 167 1HH2 ARG 22 HH11 ARG 22 -15.680 1.933 24.976 168 2HH2 ARG 22 HH12 ARG 22 -17.081 2.385 24.063 169 H GLY 23 HN GLY 23 -9.698 4.526 20.087 170 1HA GLY 23 HA2 GLY 23 -11.022 7.192 19.770 171 2HA GLY 23 HA1 GLY 23 -9.879 6.841 21.066 172 H PHE 24 HN PHE 24 -10.054 6.764 17.498 173 HA PHE 24 HA PHE 24 -7.174 6.960 17.166 174 1HB PHE 24 HB2 PHE 24 -7.820 7.290 14.772 175 2HB PHE 24 HB1 PHE 24 -8.624 5.903 15.499 176 HD1 PHE 24 HD1 PHE 24 -9.089 9.490 14.584 177 HD2 PHE 24 HD2 PHE 24 -10.996 5.786 15.626 178 HE1 PHE 24 HE1 PHE 24 -11.291 10.453 13.977 179 HE2 PHE 24 HE2 PHE 24 -13.199 6.752 15.027 180 HZ PHE 24 HZ PHE 24 -13.347 9.085 14.202 181 H PHE 25 HN PHE 25 -5.941 8.809 16.885 182 HA PHE 25 HA PHE 25 -7.063 11.346 17.723 183 1HB PHE 25 HB2 PHE 25 -4.358 10.464 16.684 184 2HB PHE 25 HB1 PHE 25 -4.683 12.076 17.322 185 HD1 PHE 25 HD1 PHE 25 -3.411 8.964 18.199 186 HD2 PHE 25 HD2 PHE 25 -6.123 11.967 19.643 187 HE1 PHE 25 HE1 PHE 25 -3.126 8.112 20.512 188 HE2 PHE 25 HE2 PHE 25 -5.836 11.116 21.954 189 HZ PHE 25 HZ PHE 25 -4.339 9.188 22.389 190 H TYR 26 HN TYR 26 -5.507 10.251 14.682 191 HA TYR 26 HA TYR 26 -5.633 11.129 12.488 192 1HB TYR 26 HB2 TYR 26 -7.966 10.222 13.121 193 2HB TYR 26 HB1 TYR 26 -8.431 11.911 13.327 194 HD1 TYR 26 HD1 TYR 26 -8.713 13.378 11.432 195 HD2 TYR 26 HD2 TYR 26 -7.213 9.387 10.902 196 HE1 TYR 26 HE1 TYR 26 -9.010 13.591 8.979 197 HE2 TYR 26 HE2 TYR 26 -7.511 9.601 8.450 198 HH TYR 26 HH TYR 26 -9.267 11.303 6.951 199 H THR 27 HN THR 27 -4.549 12.958 14.417 200 HA THR 27 HA THR 27 -5.783 15.568 14.165 201 HB THR 27 HB THR 27 -3.052 14.612 15.080 202 HG1 THR 27 HG1 THR 27 -4.413 13.876 16.536 203 1HG2 THR 27 HG21 THR 27 -2.909 16.800 16.245 204 2HG2 THR 27 HG22 THR 27 -4.403 17.302 15.453 205 3HG2 THR 27 HG23 THR 27 -2.957 16.990 14.492 206 HA PRO 28 HA PRO 28 -3.900 16.510 10.229 207 1HB PRO 28 HB2 PRO 28 -4.357 19.204 10.180 208 2HB PRO 28 HB1 PRO 28 -5.633 18.008 9.876 209 1HG PRO 28 HG2 PRO 28 -5.067 19.593 12.321 210 2HG PRO 28 HG1 PRO 28 -6.617 19.090 11.632 211 1HD PRO 28 HD2 PRO 28 -5.401 17.877 13.779 212 2HD PRO 28 HD1 PRO 28 -6.588 17.089 12.717 213 H LYS 29 HN LYS 29 -2.465 18.779 9.610 214 HA LYS 29 HA LYS 29 -0.015 18.410 11.125 215 1HB LYS 29 HB2 LYS 29 -0.896 20.114 8.798 216 2HB LYS 29 HB1 LYS 29 0.739 20.208 9.455 217 1HG LYS 29 HG2 LYS 29 1.039 17.793 9.079 218 2HG LYS 29 HG1 LYS 29 -0.598 17.685 8.432 219 1HD LYS 29 HD2 LYS 29 0.973 17.841 6.578 220 2HD LYS 29 HD1 LYS 29 0.042 19.336 6.666 221 1HE LYS 29 HE2 LYS 29 1.863 20.589 7.338 222 2HE LYS 29 HE1 LYS 29 2.604 19.232 8.208 223 1HZ LYS 29 HZ1 LYS 29 3.703 19.827 6.047 224 2HZ LYS 29 HZ2 LYS 29 2.296 19.292 5.258 225 3HZ LYS 29 HZ3 LYS 29 3.219 18.207 6.183 226 H THR 30 HN THR 30 -1.751 19.368 13.014 227 HA THR 30 HA THR 30 -2.244 21.110 14.504 228 HB THR 30 HB THR 30 -0.069 22.154 15.169 229 HG1 THR 30 HG1 THR 30 1.736 21.644 14.018 230 1HG2 THR 30 HG21 THR 30 0.606 20.218 16.196 231 2HG2 THR 30 HG22 THR 30 0.513 19.280 14.705 232 3HG2 THR 30 HG23 THR 30 -0.959 19.673 15.592 233 H ARG 31 HN ARG 31 -3.364 22.050 12.212 234 HA ARG 31 HA ARG 31 -2.200 24.543 11.292 235 1HB ARG 31 HB2 ARG 31 -4.895 23.201 11.002 236 2HB ARG 31 HB1 ARG 31 -4.494 24.721 10.201 237 1HG ARG 31 HG2 ARG 31 -2.565 23.624 9.103 238 2HG ARG 31 HG1 ARG 31 -2.995 22.103 9.883 239 1HD ARG 31 HD2 ARG 31 -3.843 22.276 7.513 240 2HD ARG 31 HD1 ARG 31 -5.146 22.060 8.695 241 HE ARG 31 HE ARG 31 -5.916 24.200 8.072 242 1HH1 ARG 31 HH11 ARG 31 -3.428 23.779 6.016 243 2HH1 ARG 31 HH12 ARG 31 -2.863 25.416 6.006 244 1HH2 ARG 31 HH21 ARG 31 -4.795 26.380 8.719 245 2HH2 ARG 31 HH22 ARG 31 -3.641 26.891 7.532 246 H ARG 32 HN ARG 32 -2.490 26.559 12.175 247 HA ARG 32 HA ARG 32 -4.318 26.826 14.498 248 1HB ARG 32 HB2 ARG 32 -1.912 28.362 13.486 249 2HB ARG 32 HB1 ARG 32 -2.862 28.869 14.883 250 1HG ARG 32 HG2 ARG 32 -2.400 26.711 15.986 251 2HG ARG 32 HG1 ARG 32 -1.447 26.203 14.591 252 1HD ARG 32 HD2 ARG 32 0.054 28.191 14.963 253 2HD ARG 32 HD1 ARG 32 -0.838 28.517 16.462 254 HE ARG 32 HE ARG 32 -0.041 25.752 16.384 255 1HH1 ARG 32 HH21 ARG 32 2.087 28.171 15.757 256 2HH1 ARG 32 HH22 ARG 32 2.991 28.044 17.229 257 1HH2 ARG 32 HH11 ARG 32 0.721 25.905 18.747 258 2HH2 ARG 32 HH12 ARG 32 2.217 26.761 18.923 259 H TYR 33 HN TYR 33 -6.305 27.635 13.859 260 HA TYR 33 HA TYR 33 -6.367 30.153 12.303 261 1HB TYR 33 HB2 TYR 33 -6.988 27.477 11.284 262 2HB TYR 33 HB1 TYR 33 -8.333 28.596 11.089 263 HD1 TYR 33 HD1 TYR 33 -4.762 28.007 10.285 264 HD2 TYR 33 HD2 TYR 33 -8.217 30.455 9.567 265 HE1 TYR 33 HE1 TYR 33 -3.611 29.067 8.362 266 HE2 TYR 33 HE2 TYR 33 -7.066 31.515 7.643 267 HH TYR 33 HH TYR 33 -4.705 31.901 6.900 268 HA PRO 34 HA PRO 34 -9.771 30.575 15.119 269 1HB PRO 34 HB2 PRO 34 -10.689 33.009 14.289 270 2HB PRO 34 HB1 PRO 34 -9.196 32.809 15.224 271 1HG PRO 34 HG2 PRO 34 -9.555 33.452 12.381 272 2HG PRO 34 HG1 PRO 34 -8.190 33.785 13.453 273 1HD PRO 34 HD2 PRO 34 -8.399 31.724 11.513 274 2HD PRO 34 HD1 PRO 34 -7.089 31.977 12.686 275 H GLY 35 HN GLY 35 -10.857 28.731 13.801 276 1HA GLY 35 HA2 GLY 35 -13.298 28.406 13.367 277 2HA GLY 35 HA1 GLY 35 -13.227 29.840 12.345 278 H ASP 36 HN ASP 36 -12.081 26.483 12.605 279 HA ASP 36 HA ASP 36 -11.079 26.408 9.853 280 1HB ASP 36 HB2 ASP 36 -11.689 24.280 11.932 281 2HB ASP 36 HB1 ASP 36 -10.828 23.983 10.422 282 H VAL 37 HN VAL 37 -12.486 26.344 8.147 283 HA VAL 37 HA VAL 37 -15.284 25.680 8.402 284 HB VAL 37 HB VAL 37 -13.428 26.061 6.032 285 1HG1 VAL 37 HG11 VAL 37 -15.140 25.592 4.643 286 2HG1 VAL 37 HG12 VAL 37 -16.211 26.689 5.514 287 3HG1 VAL 37 HG13 VAL 37 -16.055 25.011 6.034 288 1HG2 VAL 37 HG21 VAL 37 -14.933 27.856 7.854 289 2HG2 VAL 37 HG22 VAL 37 -15.044 28.250 6.138 290 3HG2 VAL 37 HG23 VAL 37 -13.467 28.166 6.923 291 H LYS 38 HN LYS 38 -12.432 23.971 7.150 292 HA LYS 38 HA LYS 38 -13.908 21.390 7.366 293 1HB LYS 38 HB2 LYS 38 -12.555 22.543 4.916 294 2HB LYS 38 HB1 LYS 38 -12.980 20.840 5.056 295 1HG LYS 38 HG2 LYS 38 -15.349 21.462 5.391 296 2HG LYS 38 HG1 LYS 38 -14.920 23.166 5.238 297 1HD LYS 38 HD2 LYS 38 -14.162 22.826 2.955 298 2HD LYS 38 HD1 LYS 38 -14.415 21.086 3.091 299 1HE LYS 38 HE2 LYS 38 -16.807 21.368 3.263 300 2HE LYS 38 HE1 LYS 38 -16.641 23.126 3.420 301 1HZ LYS 38 HZ1 LYS 38 -17.104 22.048 1.094 302 2HZ LYS 38 HZ2 LYS 38 -15.425 21.796 1.089 303 3HZ LYS 38 HZ3 LYS 38 -16.053 23.369 1.234 304 H ARG 39 HN ARG 39 -12.410 19.537 7.359 305 HA ARG 39 HA ARG 39 -10.008 19.986 8.865 306 1HB ARG 39 HB2 ARG 39 -11.160 17.622 7.365 307 2HB ARG 39 HB1 ARG 39 -9.720 17.504 8.373 308 1HG ARG 39 HG2 ARG 39 -11.009 18.284 10.323 309 2HG ARG 39 HG1 ARG 39 -12.453 18.418 9.318 310 1HD ARG 39 HD2 ARG 39 -12.446 16.018 8.887 311 2HD ARG 39 HD1 ARG 39 -10.907 15.835 9.750 312 HE ARG 39 HE ARG 39 -12.823 17.153 11.445 313 1HH1 ARG 39 HH21 ARG 39 -10.930 14.729 11.943 314 2HH1 ARG 39 HH22 ARG 39 -12.095 13.526 12.387 315 1HH2 ARG 39 HH11 ARG 39 -14.807 15.331 11.200 316 2HH2 ARG 39 HH12 ARG 39 -14.289 13.867 11.967 317 H GLY 40 HN GLY 40 -10.639 19.220 5.461 318 1HA GLY 40 HA2 GLY 40 -9.044 20.345 3.835 319 2HA GLY 40 HA1 GLY 40 -7.751 19.736 4.871 320 H ILE 41 HN ILE 41 -8.437 17.182 5.395 321 HA ILE 41 HA ILE 41 -7.800 15.757 2.988 322 HB ILE 41 HB ILE 41 -8.911 14.951 5.698 323 1HG1 ILE 41 HG12 ILE 41 -6.136 14.644 4.512 324 2HG1 ILE 41 HG11 ILE 41 -6.619 15.990 5.544 325 1HG2 ILE 41 HG21 ILE 41 -8.424 13.334 3.270 326 2HG2 ILE 41 HG22 ILE 41 -9.413 12.972 4.684 327 3HG2 ILE 41 HG23 ILE 41 -7.672 12.704 4.736 328 1HD1 ILE 41 HD11 ILE 41 -5.480 14.097 6.771 329 2HD1 ILE 41 HD12 ILE 41 -6.866 13.086 6.365 330 3HD1 ILE 41 HD13 ILE 41 -7.080 14.505 7.389 331 H VAL 42 HN VAL 42 -10.861 16.328 4.697 332 HA VAL 42 HA VAL 42 -12.528 14.655 3.088 333 HB VAL 42 HB VAL 42 -13.118 15.626 5.290 334 1HG1 VAL 42 HG11 VAL 42 -13.488 17.918 5.638 335 2HG1 VAL 42 HG12 VAL 42 -13.641 18.253 3.913 336 3HG1 VAL 42 HG13 VAL 42 -12.057 17.910 4.609 337 1HG2 VAL 42 HG21 VAL 42 -14.851 14.950 3.530 338 2HG2 VAL 42 HG22 VAL 42 -15.038 16.672 3.201 339 3HG2 VAL 42 HG23 VAL 42 -15.416 16.034 4.801 340 H GLU 43 HN GLU 43 -11.522 18.039 2.709 341 HA GLU 43 HA GLU 43 -13.177 18.771 0.520 342 1HB GLU 43 HB2 GLU 43 -10.412 19.556 1.454 343 2HB GLU 43 HB1 GLU 43 -11.192 20.359 0.092 344 1HG GLU 43 HG2 GLU 43 -13.099 20.962 1.536 345 2HG GLU 43 HG1 GLU 43 -12.324 20.158 2.900 346 H GLN 44 HN GLN 44 -9.983 17.207 0.606 347 HA GLN 44 HA GLN 44 -9.565 17.154 -2.243 348 1HB GLN 44 HB2 GLN 44 -7.810 16.927 -0.501 349 2HB GLN 44 HB1 GLN 44 -8.492 15.370 -0.031 350 1HG GLN 44 HG2 GLN 44 -8.075 14.498 -2.304 351 2HG GLN 44 HG1 GLN 44 -7.389 16.053 -2.773 352 1HE2 GLN 44 HE21 GLN 44 -5.147 15.985 -2.736 353 2HE2 GLN 44 HE22 GLN 44 -4.212 15.113 -1.620 354 H CYS 45 HN CYS 45 -10.976 14.808 0.041 355 HA CYS 45 HA CYS 45 -11.369 12.753 -1.989 356 1HB CYS 45 HB2 CYS 45 -12.550 13.118 0.781 357 2HB CYS 45 HB1 CYS 45 -12.545 11.619 -0.141 358 H CYS 46 HN CYS 46 -13.266 15.413 -0.703 359 HA CYS 46 HA CYS 46 -15.883 14.592 -1.464 360 1HB CYS 46 HB2 CYS 46 -14.456 16.996 -0.641 361 2HB CYS 46 HB1 CYS 46 -15.710 17.372 -1.816 362 H THR 47 HN THR 47 -13.538 16.581 -3.332 363 HA THR 47 HA THR 47 -15.238 16.676 -5.694 364 HB THR 47 HB THR 47 -13.133 17.665 -6.671 365 HG1 THR 47 HG1 THR 47 -11.364 17.828 -5.355 366 1HG2 THR 47 HG21 THR 47 -13.791 18.761 -3.930 367 2HG2 THR 47 HG22 THR 47 -14.844 18.962 -5.331 368 3HG2 THR 47 HG23 THR 47 -13.224 19.659 -5.338 369 H SER 48 HN SER 48 -12.377 14.759 -4.760 370 HA SER 48 HA SER 48 -12.980 12.911 -7.043 371 1HB SER 48 HB2 SER 48 -10.340 14.086 -6.128 372 2HB SER 48 HB1 SER 48 -10.451 12.726 -7.241 373 HG SER 48 HG SER 48 -10.662 15.316 -7.771 374 H ILE 49 HN ILE 49 -12.370 10.697 -6.629 375 HA ILE 49 HA ILE 49 -12.704 9.824 -3.893 376 HB ILE 49 HB ILE 49 -11.744 8.394 -6.399 377 1HG1 ILE 49 HG12 ILE 49 -14.522 8.484 -5.192 378 2HG1 ILE 49 HG11 ILE 49 -14.003 9.566 -6.483 379 1HG2 ILE 49 HG21 ILE 49 -13.066 7.198 -3.951 380 2HG2 ILE 49 HG22 ILE 49 -11.316 7.243 -4.165 381 3HG2 ILE 49 HG23 ILE 49 -12.320 6.342 -5.301 382 1HD1 ILE 49 HD11 ILE 49 -14.824 6.780 -6.635 383 2HD1 ILE 49 HD12 ILE 49 -13.236 7.018 -7.362 384 3HD1 ILE 49 HD13 ILE 49 -14.619 7.952 -7.933 385 H CYS 50 HN CYS 50 -11.143 9.587 -2.345 386 HA CYS 50 HA CYS 50 -8.335 10.168 -2.948 387 1HB CYS 50 HB2 CYS 50 -10.000 9.517 -0.518 388 2HB CYS 50 HB1 CYS 50 -8.241 9.595 -0.403 389 H SER 51 HN SER 51 -6.583 8.668 -2.607 390 HA SER 51 HA SER 51 -7.196 5.907 -3.364 391 1HB SER 51 HB2 SER 51 -4.780 5.751 -3.517 392 2HB SER 51 HB1 SER 51 -5.265 7.315 -4.164 393 HG SER 51 HG SER 51 -3.488 7.029 -2.413 394 H LEU 52 HN LEU 52 -6.535 4.045 -2.102 395 HA LEU 52 HA LEU 52 -7.299 4.049 0.630 396 1HB LEU 52 HB2 LEU 52 -7.291 2.089 -0.877 397 2HB LEU 52 HB1 LEU 52 -5.531 2.145 -0.941 398 HG LEU 52 HG LEU 52 -5.490 1.822 1.551 399 1HD1 LEU 52 HD11 LEU 52 -7.802 2.666 1.959 400 2HD1 LEU 52 HD12 LEU 52 -7.532 1.074 2.667 401 3HD1 LEU 52 HD13 LEU 52 -8.440 1.228 1.163 402 1HD2 LEU 52 HD21 LEU 52 -7.048 -0.396 0.215 403 2HD2 LEU 52 HD22 LEU 52 -5.766 -0.532 1.418 404 3HD2 LEU 52 HD23 LEU 52 -5.378 -0.043 -0.231 405 H TYR 53 HN TYR 53 -4.090 4.211 -0.874 406 HA TYR 53 HA TYR 53 -2.485 3.942 1.448 407 1HB TYR 53 HB2 TYR 53 -1.744 3.869 -0.911 408 2HB TYR 53 HB1 TYR 53 -2.042 5.598 -1.024 409 HD1 TYR 53 HD1 TYR 53 -0.601 7.220 0.096 410 HD2 TYR 53 HD2 TYR 53 0.120 2.998 0.421 411 HE1 TYR 53 HE1 TYR 53 1.652 7.676 1.026 412 HE2 TYR 53 HE2 TYR 53 2.373 3.454 1.351 413 HH TYR 53 HH TYR 53 3.334 6.583 2.381 414 H GLN 54 HN GLN 54 -3.873 6.894 -0.027 415 HA GLN 54 HA GLN 54 -2.645 8.721 1.839 416 1HB GLN 54 HB2 GLN 54 -5.064 8.857 0.019 417 2HB GLN 54 HB1 GLN 54 -4.461 10.248 0.921 418 1HG GLN 54 HG2 GLN 54 -2.262 10.010 -0.168 419 2HG GLN 54 HG1 GLN 54 -2.860 8.620 -1.075 420 1HE2 GLN 54 HE21 GLN 54 -3.914 12.021 -0.426 421 2HE2 GLN 54 HE22 GLN 54 -4.404 12.323 -2.023 422 H LEU 55 HN LEU 55 -5.859 7.129 1.770 423 HA LEU 55 HA LEU 55 -6.981 8.457 4.036 424 1HB LEU 55 HB2 LEU 55 -7.344 5.704 2.831 425 2HB LEU 55 HB1 LEU 55 -8.383 6.335 4.108 426 HG LEU 55 HG LEU 55 -7.915 7.710 1.447 427 1HD1 LEU 55 HD11 LEU 55 -9.188 5.484 1.406 428 2HD1 LEU 55 HD12 LEU 55 -10.036 6.882 0.744 429 3HD1 LEU 55 HD13 LEU 55 -10.427 6.298 2.361 430 1HD2 LEU 55 HD21 LEU 55 -9.538 8.303 3.907 431 2HD2 LEU 55 HD22 LEU 55 -10.126 8.842 2.335 432 3HD2 LEU 55 HD23 LEU 55 -8.561 9.398 2.928 433 H GLU 56 HN GLU 56 -5.244 5.360 3.829 434 HA GLU 56 HA GLU 56 -5.183 4.752 6.621 435 1HB GLU 56 HB2 GLU 56 -3.374 4.095 4.277 436 2HB GLU 56 HB1 GLU 56 -3.195 3.346 5.864 437 1HG GLU 56 HG2 GLU 56 -5.518 2.518 5.738 438 2HG GLU 56 HG1 GLU 56 -5.700 3.264 4.152 439 H ASN 57 HN ASN 57 -2.967 6.597 4.553 440 HA ASN 57 HA ASN 57 -0.877 7.033 6.453 441 1HB ASN 57 HB2 ASN 57 -0.704 7.363 4.017 442 2HB ASN 57 HB1 ASN 57 -1.845 8.704 4.109 443 1HD2 ASN 57 HD21 ASN 57 1.146 7.758 5.916 444 2HD2 ASN 57 HD22 ASN 57 1.856 9.298 5.829 445 H TYR 58 HN TYR 58 -3.818 8.949 5.744 446 HA TYR 58 HA TYR 58 -3.202 11.214 7.349 447 1HB TYR 58 HB2 TYR 58 -5.867 9.903 6.752 448 2HB TYR 58 HB1 TYR 58 -5.646 11.549 7.322 449 HD1 TYR 58 HD1 TYR 58 -3.144 12.232 5.658 450 HD2 TYR 58 HD2 TYR 58 -6.860 10.331 4.630 451 HE1 TYR 58 HE1 TYR 58 -2.885 12.990 3.313 452 HE2 TYR 58 HE2 TYR 58 -6.593 11.085 2.285 453 HH TYR 58 HH TYR 58 -4.284 13.419 1.353 454 H CYS 59 HN CYS 59 -4.672 8.103 8.252 455 HA CYS 59 HA CYS 59 -5.068 8.997 11.041 456 1HB CYS 59 HB2 CYS 59 -6.615 7.481 9.699 457 2HB CYS 59 HB1 CYS 59 -5.370 6.238 9.824 458 H ASN 60 HN ASN 60 -2.478 7.746 9.208 459 HA ASN 60 HA ASN 60 -1.286 5.976 11.176 460 1HB ASN 60 HB2 ASN 60 -0.382 7.447 8.706 461 2HB ASN 60 HB1 ASN 60 0.789 6.585 9.698 462 1HD2 ASN 60 HD21 ASN 60 0.793 5.375 7.402 463 2HD2 ASN 60 HD22 ASN 60 -0.231 4.025 7.309 Start of MODEL 6 1 1H PHE 1 HT1 PHE 1 -21.508 -4.550 -6.534 2 2H PHE 1 HT2 PHE 1 -20.667 -3.655 -7.709 3 3H PHE 1 HT3 PHE 1 -21.904 -2.923 -6.803 4 HA PHE 1 HA PHE 1 -20.571 -3.218 -4.765 5 1HB PHE 1 HB2 PHE 1 -19.442 -5.232 -5.815 6 2HB PHE 1 HB1 PHE 1 -18.472 -4.107 -6.767 7 HD1 PHE 1 HD1 PHE 1 -18.942 -5.669 -3.533 8 HD2 PHE 1 HD2 PHE 1 -17.002 -2.428 -5.577 9 HE1 PHE 1 HE1 PHE 1 -17.400 -5.382 -1.612 10 HE2 PHE 1 HE2 PHE 1 -15.459 -2.140 -3.657 11 HZ PHE 1 HZ PHE 1 -15.658 -3.618 -1.675 12 H VAL 2 HN VAL 2 -19.737 -1.220 -4.189 13 HA VAL 2 HA VAL 2 -18.623 0.512 -6.324 14 HB VAL 2 HB VAL 2 -19.875 2.355 -5.204 15 1HG1 VAL 2 HG11 VAL 2 -21.990 1.822 -6.155 16 2HG1 VAL 2 HG12 VAL 2 -21.757 0.095 -5.887 17 3HG1 VAL 2 HG13 VAL 2 -20.809 0.933 -7.116 18 1HG2 VAL 2 HG21 VAL 2 -20.037 0.598 -3.078 19 2HG2 VAL 2 HG22 VAL 2 -21.665 0.526 -3.752 20 3HG2 VAL 2 HG23 VAL 2 -20.989 2.073 -3.244 21 H ASN 3 HN ASN 3 -17.191 2.215 -5.486 22 HA ASN 3 HA ASN 3 -16.226 1.969 -2.699 23 1HB ASN 3 HB2 ASN 3 -15.094 0.209 -4.122 24 2HB ASN 3 HB1 ASN 3 -14.416 1.515 -5.094 25 1HD2 ASN 3 HD21 ASN 3 -12.212 0.973 -4.401 26 2HD2 ASN 3 HD22 ASN 3 -11.675 1.329 -2.831 27 H GLN 4 HN GLN 4 -17.145 4.186 -2.848 28 HA GLN 4 HA GLN 4 -15.858 6.165 -4.588 29 1HB GLN 4 HB2 GLN 4 -17.757 6.390 -2.228 30 2HB GLN 4 HB1 GLN 4 -17.380 7.691 -3.354 31 1HG GLN 4 HG2 GLN 4 -18.599 5.031 -4.162 32 2HG GLN 4 HG1 GLN 4 -19.518 6.516 -3.915 33 1HE2 GLN 4 HE21 GLN 4 -18.779 4.828 -6.444 34 2HE2 GLN 4 HE22 GLN 4 -18.218 5.999 -7.537 35 H HIS 5 HN HIS 5 -14.922 8.185 -3.481 36 HA HIS 5 HA HIS 5 -12.715 7.401 -1.776 37 1HB HIS 5 HB2 HIS 5 -12.415 9.980 -1.667 38 2HB HIS 5 HB1 HIS 5 -12.254 9.193 -3.225 39 HD1 HIS 5 HD1 HIS 5 -13.097 10.932 -4.804 40 HD2 HIS 5 HD2 HIS 5 -15.690 10.386 -1.588 41 HE1 HIS 5 HE1 HIS 5 -15.140 12.338 -5.296 42 H LEU 6 HN LEU 6 -12.304 8.057 0.393 43 HA LEU 6 HA LEU 6 -14.610 7.909 2.130 44 1HB LEU 6 HB2 LEU 6 -11.635 8.140 2.380 45 2HB LEU 6 HB1 LEU 6 -12.630 8.404 3.813 46 HG LEU 6 HG LEU 6 -13.810 6.177 2.988 47 1HD1 LEU 6 HD11 LEU 6 -11.005 5.979 1.852 48 2HD1 LEU 6 HD12 LEU 6 -12.505 5.967 0.925 49 3HD1 LEU 6 HD13 LEU 6 -12.129 4.629 2.011 50 1HD2 LEU 6 HD21 LEU 6 -12.405 4.964 4.538 51 2HD2 LEU 6 HD22 LEU 6 -12.557 6.618 5.131 52 3HD2 LEU 6 HD23 LEU 6 -11.083 6.108 4.306 53 H CYS 7 HN CYS 7 -15.856 9.782 1.765 54 HA CYS 7 HA CYS 7 -14.838 12.230 3.084 55 1HB CYS 7 HB2 CYS 7 -14.501 11.955 0.416 56 2HB CYS 7 HB1 CYS 7 -16.142 12.600 0.431 57 H GLY 8 HN GLY 8 -16.708 13.896 3.132 58 1HA GLY 8 HA2 GLY 8 -18.868 14.402 3.877 59 2HA GLY 8 HA1 GLY 8 -19.391 13.330 2.576 60 H SER 9 HN SER 9 -20.979 12.099 3.563 61 HA SER 9 HA SER 9 -20.916 11.267 6.334 62 1HB SER 9 HB2 SER 9 -22.507 10.419 3.902 63 2HB SER 9 HB1 SER 9 -22.859 9.851 5.531 64 HG SER 9 HG SER 9 -22.699 12.581 4.760 65 H HIS 10 HN HIS 10 -19.961 9.720 3.301 66 HA HIS 10 HA HIS 10 -19.674 7.035 4.206 67 1HB HIS 10 HB2 HIS 10 -19.611 7.830 1.850 68 2HB HIS 10 HB1 HIS 10 -18.051 8.590 2.163 69 HD1 HIS 10 HD1 HIS 10 -19.395 5.111 3.010 70 HD2 HIS 10 HD2 HIS 10 -16.145 6.900 1.108 71 HE1 HIS 10 HE1 HIS 10 -17.844 3.230 2.321 72 H LEU 11 HN LEU 11 -17.488 9.816 4.443 73 HA LEU 11 HA LEU 11 -15.117 8.470 5.257 74 1HB LEU 11 HB2 LEU 11 -15.264 10.833 4.587 75 2HB LEU 11 HB1 LEU 11 -16.229 11.193 6.016 76 HG LEU 11 HG LEU 11 -14.330 10.472 7.451 77 1HD1 LEU 11 HD11 LEU 11 -13.280 8.908 5.860 78 2HD1 LEU 11 HD12 LEU 11 -12.120 10.118 6.407 79 3HD1 LEU 11 HD13 LEU 11 -12.853 10.258 4.810 80 1HD2 LEU 11 HD21 LEU 11 -13.943 12.657 5.408 81 2HD2 LEU 11 HD22 LEU 11 -12.750 12.380 6.677 82 3HD2 LEU 11 HD23 LEU 11 -14.408 12.805 7.103 83 H VAL 12 HN VAL 12 -17.795 9.781 7.258 84 HA VAL 12 HA VAL 12 -16.658 9.092 9.799 85 HB VAL 12 HB VAL 12 -19.517 9.409 8.816 86 1HG1 VAL 12 HG11 VAL 12 -20.223 9.614 11.090 87 2HG1 VAL 12 HG12 VAL 12 -18.562 9.637 11.679 88 3HG1 VAL 12 HG13 VAL 12 -19.246 8.148 11.030 89 1HG2 VAL 12 HG21 VAL 12 -19.301 11.670 9.293 90 2HG2 VAL 12 HG22 VAL 12 -17.660 11.302 8.764 91 3HG2 VAL 12 HG23 VAL 12 -18.029 11.403 10.485 92 H GLU 13 HN GLU 13 -19.131 7.404 7.852 93 HA GLU 13 HA GLU 13 -19.326 5.067 9.456 94 1HB GLU 13 HB2 GLU 13 -20.921 5.744 7.701 95 2HB GLU 13 HB1 GLU 13 -19.693 5.454 6.469 96 1HG GLU 13 HG2 GLU 13 -19.596 3.073 7.125 97 2HG GLU 13 HG1 GLU 13 -20.825 3.361 8.353 98 H ALA 14 HN ALA 14 -17.298 5.729 6.606 99 HA ALA 14 HA ALA 14 -16.056 3.194 6.380 100 1HB ALA 14 HB1 ALA 14 -15.967 4.924 4.665 101 2HB ALA 14 HB2 ALA 14 -14.320 4.509 5.142 102 3HB ALA 14 HB3 ALA 14 -15.067 5.989 5.745 103 H LEU 15 HN LEU 15 -14.935 6.100 8.166 104 HA LEU 15 HA LEU 15 -12.493 5.000 9.125 105 1HB LEU 15 HB2 LEU 15 -14.381 7.107 10.196 106 2HB LEU 15 HB1 LEU 15 -12.794 6.797 10.902 107 HG LEU 15 HG LEU 15 -13.226 7.433 7.971 108 1HD1 LEU 15 HD11 LEU 15 -13.845 9.430 9.082 109 2HD1 LEU 15 HD12 LEU 15 -12.135 9.657 8.714 110 3HD1 LEU 15 HD13 LEU 15 -12.634 9.203 10.344 111 1HD2 LEU 15 HD21 LEU 15 -11.127 6.524 7.970 112 2HD2 LEU 15 HD22 LEU 15 -10.913 6.763 9.704 113 3HD2 LEU 15 HD23 LEU 15 -10.662 8.108 8.592 114 H TYR 16 HN TYR 16 -15.774 4.864 10.550 115 HA TYR 16 HA TYR 16 -15.063 3.673 13.046 116 1HB TYR 16 HB2 TYR 16 -17.476 3.763 11.264 117 2HB TYR 16 HB1 TYR 16 -17.495 2.676 12.652 118 HD1 TYR 16 HD1 TYR 16 -16.155 4.006 14.773 119 HD2 TYR 16 HD2 TYR 16 -18.648 5.723 11.725 120 HE1 TYR 16 HE1 TYR 16 -16.679 5.908 16.275 121 HE2 TYR 16 HE2 TYR 16 -19.170 7.627 13.227 122 HH TYR 16 HH TYR 16 -19.176 7.883 15.931 123 H LEU 17 HN LEU 17 -16.026 2.133 9.965 124 HA LEU 17 HA LEU 17 -15.645 -0.566 10.870 125 1HB LEU 17 HB2 LEU 17 -15.769 0.758 8.177 126 2HB LEU 17 HB1 LEU 17 -15.724 -0.988 8.376 127 HG LEU 17 HG LEU 17 -17.796 0.794 9.681 128 1HD1 LEU 17 HD11 LEU 17 -19.170 0.574 7.858 129 2HD1 LEU 17 HD12 LEU 17 -18.516 -1.006 7.425 130 3HD1 LEU 17 HD13 LEU 17 -17.632 0.461 7.003 131 1HD2 LEU 17 HD21 LEU 17 -17.232 -2.141 9.546 132 2HD2 LEU 17 HD22 LEU 17 -18.920 -1.628 9.554 133 3HD2 LEU 17 HD23 LEU 17 -17.856 -1.180 10.887 134 H VAL 18 HN VAL 18 -13.603 1.726 9.091 135 HA VAL 18 HA VAL 18 -11.426 -0.155 8.678 136 HB VAL 18 HB VAL 18 -11.824 2.808 8.363 137 1HG1 VAL 18 HG11 VAL 18 -9.689 2.658 6.946 138 2HG1 VAL 18 HG12 VAL 18 -9.372 1.141 7.787 139 3HG1 VAL 18 HG13 VAL 18 -9.472 2.649 8.696 140 1HG2 VAL 18 HG21 VAL 18 -13.051 1.667 6.716 141 2HG2 VAL 18 HG22 VAL 18 -11.823 0.411 6.549 142 3HG2 VAL 18 HG23 VAL 18 -11.527 2.025 5.902 143 H CYS 19 HN CYS 19 -11.389 2.947 10.417 144 HA CYS 19 HA CYS 19 -9.136 2.098 12.070 145 1HB CYS 19 HB2 CYS 19 -10.869 4.522 11.802 146 2HB CYS 19 HB1 CYS 19 -9.677 4.414 13.094 147 H GLY 20 HN GLY 20 -12.238 3.511 13.132 148 1HA GLY 20 HA2 GLY 20 -13.593 3.018 14.974 149 2HA GLY 20 HA1 GLY 20 -13.045 1.353 14.794 150 H GLU 21 HN GLU 21 -10.580 3.754 15.246 151 HA GLU 21 HA GLU 21 -9.803 2.528 17.772 152 1HB GLU 21 HB2 GLU 21 -8.288 3.293 15.875 153 2HB GLU 21 HB1 GLU 21 -8.642 4.948 16.378 154 1HG GLU 21 HG2 GLU 21 -7.700 4.570 18.563 155 2HG GLU 21 HG1 GLU 21 -7.561 2.840 18.264 156 H ARG 22 HN ARG 22 -9.791 3.565 19.788 157 HA ARG 22 HA ARG 22 -11.908 5.331 20.436 158 1HB ARG 22 HB2 ARG 22 -9.315 4.635 21.844 159 2HB ARG 22 HB1 ARG 22 -10.667 5.464 22.620 160 1HG ARG 22 HG2 ARG 22 -12.149 3.567 22.081 161 2HG ARG 22 HG1 ARG 22 -10.802 2.733 21.307 162 1HD ARG 22 HD2 ARG 22 -9.570 2.776 23.488 163 2HD ARG 22 HD1 ARG 22 -11.013 3.483 24.245 164 HE ARG 22 HE ARG 22 -12.227 1.406 23.275 165 1HH1 ARG 22 HH11 ARG 22 -10.434 1.059 25.788 166 2HH1 ARG 22 HH12 ARG 22 -9.657 -0.439 25.401 167 1HH2 ARG 22 HH21 ARG 22 -10.563 -0.352 22.056 168 2HH2 ARG 22 HH22 ARG 22 -9.728 -1.237 23.288 169 H GLY 23 HN GLY 23 -8.456 6.019 19.830 170 1HA GLY 23 HA2 GLY 23 -8.932 8.914 20.252 171 2HA GLY 23 HA1 GLY 23 -7.360 8.155 20.011 172 H PHE 24 HN PHE 24 -10.066 7.445 17.894 173 HA PHE 24 HA PHE 24 -8.539 8.238 15.556 174 1HB PHE 24 HB2 PHE 24 -10.289 7.157 14.386 175 2HB PHE 24 HB1 PHE 24 -10.216 6.306 15.919 176 HD1 PHE 24 HD1 PHE 24 -12.551 6.693 13.806 177 HD2 PHE 24 HD2 PHE 24 -11.660 8.492 17.610 178 HE1 PHE 24 HE1 PHE 24 -14.955 7.194 14.144 179 HE2 PHE 24 HE2 PHE 24 -14.057 8.981 17.941 180 HZ PHE 24 HZ PHE 24 -15.708 8.336 16.210 181 H PHE 25 HN PHE 25 -8.415 10.608 16.579 182 HA PHE 25 HA PHE 25 -10.743 12.294 16.275 183 1HB PHE 25 HB2 PHE 25 -9.039 14.115 16.598 184 2HB PHE 25 HB1 PHE 25 -8.981 12.868 17.839 185 HD1 PHE 25 HD1 PHE 25 -6.954 11.804 18.321 186 HD2 PHE 25 HD2 PHE 25 -7.454 13.783 14.548 187 HE1 PHE 25 HE1 PHE 25 -4.569 11.384 17.787 188 HE2 PHE 25 HE2 PHE 25 -5.069 13.366 14.009 189 HZ PHE 25 HZ PHE 25 -3.625 12.166 15.631 190 H TYR 26 HN TYR 26 -8.233 11.165 14.143 191 HA TYR 26 HA TYR 26 -7.747 11.623 11.883 192 1HB TYR 26 HB2 TYR 26 -10.002 10.504 11.982 193 2HB TYR 26 HB1 TYR 26 -10.734 12.106 11.865 194 HD1 TYR 26 HD1 TYR 26 -10.919 13.220 9.772 195 HD2 TYR 26 HD2 TYR 26 -8.411 9.755 10.152 196 HE1 TYR 26 HE1 TYR 26 -10.593 13.184 7.313 197 HE2 TYR 26 HE2 TYR 26 -8.089 9.717 7.695 198 HH TYR 26 HH TYR 26 -9.939 11.061 5.580 199 H THR 27 HN THR 27 -6.724 13.763 12.704 200 HA THR 27 HA THR 27 -7.974 15.989 11.191 201 HB THR 27 HB THR 27 -7.419 17.489 13.144 202 HG1 THR 27 HG1 THR 27 -7.113 16.348 15.137 203 1HG2 THR 27 HG21 THR 27 -9.242 15.376 14.201 204 2HG2 THR 27 HG22 THR 27 -9.670 16.141 12.671 205 3HG2 THR 27 HG23 THR 27 -9.472 17.123 14.122 206 HA PRO 28 HA PRO 28 -3.843 16.664 9.865 207 1HB PRO 28 HB2 PRO 28 -3.771 19.375 9.480 208 2HB PRO 28 HB1 PRO 28 -4.643 18.268 8.404 209 1HG PRO 28 HG2 PRO 28 -5.686 20.025 10.560 210 2HG PRO 28 HG1 PRO 28 -6.393 19.620 8.989 211 1HD PRO 28 HD2 PRO 28 -7.183 18.496 11.356 212 2HD PRO 28 HD1 PRO 28 -7.361 17.709 9.774 213 H LYS 29 HN LYS 29 -2.117 18.802 10.355 214 HA LYS 29 HA LYS 29 -1.128 18.228 12.971 215 1HB LYS 29 HB2 LYS 29 0.510 19.974 12.416 216 2HB LYS 29 HB1 LYS 29 0.212 18.956 11.008 217 1HG LYS 29 HG2 LYS 29 -1.455 20.669 10.210 218 2HG LYS 29 HG1 LYS 29 -0.953 21.708 11.545 219 1HD LYS 29 HD2 LYS 29 1.420 21.503 10.679 220 2HD LYS 29 HD1 LYS 29 0.755 20.711 9.251 221 1HE LYS 29 HE2 LYS 29 -0.833 22.986 9.493 222 2HE LYS 29 HE1 LYS 29 0.787 23.562 9.933 223 1HZ LYS 29 HZ1 LYS 29 1.610 22.273 7.958 224 2HZ LYS 29 HZ2 LYS 29 0.673 23.640 7.586 225 3HZ LYS 29 HZ3 LYS 29 -0.009 22.088 7.484 226 H THR 30 HN THR 30 -3.431 20.593 11.835 227 HA THR 30 HA THR 30 -4.646 22.274 12.951 228 HB THR 30 HB THR 30 -3.823 20.787 15.445 229 HG1 THR 30 HG1 THR 30 -5.791 20.053 13.546 230 1HG2 THR 30 HG21 THR 30 -6.627 21.412 15.141 231 2HG2 THR 30 HG22 THR 30 -5.657 22.866 14.904 232 3HG2 THR 30 HG23 THR 30 -5.507 21.940 16.396 233 H ARG 31 HN ARG 31 -3.088 23.972 12.493 234 HA ARG 31 HA ARG 31 -1.806 25.064 14.906 235 1HB ARG 31 HB2 ARG 31 -0.338 24.242 12.385 236 2HB ARG 31 HB1 ARG 31 0.355 25.327 13.585 237 1HG ARG 31 HG2 ARG 31 0.042 23.540 15.312 238 2HG ARG 31 HG1 ARG 31 -0.503 22.455 14.032 239 1HD ARG 31 HD2 ARG 31 1.872 22.054 14.377 240 2HD ARG 31 HD1 ARG 31 1.693 22.916 12.836 241 HE ARG 31 HE ARG 31 2.451 24.945 13.914 242 1HH1 ARG 31 HH11 ARG 31 1.563 22.805 16.394 243 2HH1 ARG 31 HH12 ARG 31 2.856 23.250 17.457 244 1HH2 ARG 31 HH21 ARG 31 4.443 25.267 15.127 245 2HH2 ARG 31 HH22 ARG 31 4.480 24.642 16.742 246 H ARG 32 HN ARG 32 -2.100 25.387 11.371 247 HA ARG 32 HA ARG 32 -1.724 28.190 11.179 248 1HB ARG 32 HB2 ARG 32 -3.329 26.201 9.541 249 2HB ARG 32 HB1 ARG 32 -2.949 27.836 8.996 250 1HG ARG 32 HG2 ARG 32 -0.579 27.392 9.068 251 2HG ARG 32 HG1 ARG 32 -0.842 25.836 9.855 252 1HD ARG 32 HD2 ARG 32 -0.433 25.377 7.515 253 2HD ARG 32 HD1 ARG 32 -2.175 25.158 7.773 254 HE ARG 32 HE ARG 32 -0.947 27.616 6.590 255 1HH1 ARG 32 HH11 ARG 32 -2.821 25.261 5.466 256 2HH1 ARG 32 HH12 ARG 32 -4.249 26.199 5.180 257 1HH2 ARG 32 HH21 ARG 32 -3.124 28.946 6.972 258 2HH2 ARG 32 HH22 ARG 32 -4.421 28.284 6.034 259 H TYR 33 HN TYR 33 -4.762 26.315 11.447 260 HA TYR 33 HA TYR 33 -6.076 28.511 12.885 261 1HB TYR 33 HB2 TYR 33 -6.033 28.997 10.371 262 2HB TYR 33 HB1 TYR 33 -7.146 27.652 10.221 263 HD1 TYR 33 HD1 TYR 33 -6.804 31.139 10.978 264 HD2 TYR 33 HD2 TYR 33 -9.325 27.717 11.600 265 HE1 TYR 33 HE1 TYR 33 -8.689 32.637 11.569 266 HE2 TYR 33 HE2 TYR 33 -11.211 29.216 12.194 267 HH TYR 33 HH TYR 33 -11.165 32.552 11.583 268 HA PRO 34 HA PRO 34 -8.091 24.839 14.414 269 1HB PRO 34 HB2 PRO 34 -10.148 26.001 15.795 270 2HB PRO 34 HB1 PRO 34 -8.474 25.976 16.387 271 1HG PRO 34 HG2 PRO 34 -9.966 28.165 15.022 272 2HG PRO 34 HG1 PRO 34 -8.843 28.249 16.389 273 1HD PRO 34 HD2 PRO 34 -8.124 28.902 13.859 274 2HD PRO 34 HD1 PRO 34 -6.985 28.217 15.039 275 H GLY 35 HN GLY 35 -8.933 23.940 12.463 276 1HA GLY 35 HA2 GLY 35 -10.779 23.090 11.249 277 2HA GLY 35 HA1 GLY 35 -11.826 24.214 12.114 278 H ASP 36 HN ASP 36 -11.047 26.652 11.528 279 HA ASP 36 HA ASP 36 -11.136 28.313 9.856 280 1HB ASP 36 HB2 ASP 36 -8.868 27.070 9.613 281 2HB ASP 36 HB1 ASP 36 -9.596 26.380 8.174 282 H VAL 37 HN VAL 37 -13.376 26.559 9.881 283 HA VAL 37 HA VAL 37 -15.208 25.906 8.547 284 HB VAL 37 HB VAL 37 -13.839 27.959 6.772 285 1HG1 VAL 37 HG11 VAL 37 -16.689 26.919 6.706 286 2HG1 VAL 37 HG12 VAL 37 -15.449 26.586 5.499 287 3HG1 VAL 37 HG13 VAL 37 -16.050 28.230 5.714 288 1HG2 VAL 37 HG21 VAL 37 -16.301 28.666 8.222 289 2HG2 VAL 37 HG22 VAL 37 -14.782 29.550 8.086 290 3HG2 VAL 37 HG23 VAL 37 -14.950 28.269 9.285 291 H LYS 38 HN LYS 38 -13.158 26.470 5.694 292 HA LYS 38 HA LYS 38 -13.572 23.708 4.798 293 1HB LYS 38 HB2 LYS 38 -12.496 26.287 3.784 294 2HB LYS 38 HB1 LYS 38 -11.807 24.835 3.059 295 1HG LYS 38 HG2 LYS 38 -13.630 25.096 1.675 296 2HG LYS 38 HG1 LYS 38 -14.380 24.127 2.943 297 1HD LYS 38 HD2 LYS 38 -15.665 25.853 3.679 298 2HD LYS 38 HD1 LYS 38 -14.373 27.035 3.471 299 1HE LYS 38 HE2 LYS 38 -14.779 26.857 0.954 300 2HE LYS 38 HE1 LYS 38 -16.258 25.959 1.354 301 1HZ LYS 38 HZ1 LYS 38 -16.742 28.314 1.226 302 2HZ LYS 38 HZ2 LYS 38 -15.520 28.661 2.355 303 3HZ LYS 38 HZ3 LYS 38 -16.898 27.787 2.831 304 H ARG 39 HN ARG 39 -12.283 22.130 5.723 305 HA ARG 39 HA ARG 39 -9.764 22.666 6.992 306 1HB ARG 39 HB2 ARG 39 -11.287 20.797 7.564 307 2HB ARG 39 HB1 ARG 39 -10.995 20.083 5.977 308 1HG ARG 39 HG2 ARG 39 -8.728 19.613 6.482 309 2HG ARG 39 HG1 ARG 39 -8.722 20.710 7.859 310 1HD ARG 39 HD2 ARG 39 -8.827 18.334 8.595 311 2HD ARG 39 HD1 ARG 39 -10.293 19.212 9.063 312 HE ARG 39 HE ARG 39 -10.652 18.086 6.446 313 1HH1 ARG 39 HH11 ARG 39 -11.901 17.936 9.463 314 2HH1 ARG 39 HH12 ARG 39 -12.239 16.237 9.477 315 1HH2 ARG 39 HH21 ARG 39 -10.439 15.582 6.590 316 2HH2 ARG 39 HH22 ARG 39 -11.416 14.908 7.851 317 H GLY 40 HN GLY 40 -10.711 21.437 3.807 318 1HA GLY 40 HA2 GLY 40 -9.349 22.064 1.853 319 2HA GLY 40 HA1 GLY 40 -7.920 21.945 2.877 320 H ILE 41 HN ILE 41 -8.232 19.513 4.101 321 HA ILE 41 HA ILE 41 -7.479 17.674 2.010 322 HB ILE 41 HB ILE 41 -6.671 17.688 4.375 323 1HG1 ILE 41 HG12 ILE 41 -8.037 15.074 3.697 324 2HG1 ILE 41 HG11 ILE 41 -6.586 15.648 2.872 325 1HG2 ILE 41 HG21 ILE 41 -9.283 16.365 5.109 326 2HG2 ILE 41 HG22 ILE 41 -9.042 18.101 5.285 327 3HG2 ILE 41 HG23 ILE 41 -8.024 16.978 6.182 328 1HD1 ILE 41 HD11 ILE 41 -5.254 15.425 4.763 329 2HD1 ILE 41 HD12 ILE 41 -6.371 14.078 4.987 330 3HD1 ILE 41 HD13 ILE 41 -6.618 15.585 5.869 331 H VAL 42 HN VAL 42 -10.447 18.097 3.911 332 HA VAL 42 HA VAL 42 -11.839 15.794 2.930 333 HB VAL 42 HB VAL 42 -12.416 17.124 4.950 334 1HG1 VAL 42 HG11 VAL 42 -13.465 19.187 2.990 335 2HG1 VAL 42 HG12 VAL 42 -11.964 19.366 3.898 336 3HG1 VAL 42 HG13 VAL 42 -13.505 19.283 4.751 337 1HG2 VAL 42 HG21 VAL 42 -14.838 17.067 4.643 338 2HG2 VAL 42 HG22 VAL 42 -14.114 15.688 3.815 339 3HG2 VAL 42 HG23 VAL 42 -14.643 17.093 2.890 340 H GLU 43 HN GLU 43 -11.703 19.155 1.752 341 HA GLU 43 HA GLU 43 -13.676 18.872 -0.302 342 1HB GLU 43 HB2 GLU 43 -11.302 20.708 0.104 343 2HB GLU 43 HB1 GLU 43 -12.473 20.931 -1.194 344 1HG GLU 43 HG2 GLU 43 -13.246 20.760 1.729 345 2HG GLU 43 HG1 GLU 43 -12.944 22.282 0.894 346 H GLN 44 HN GLN 44 -10.139 18.454 -0.319 347 HA GLN 44 HA GLN 44 -9.769 18.113 -3.120 348 1HB GLN 44 HB2 GLN 44 -7.985 18.482 -1.460 349 2HB GLN 44 HB1 GLN 44 -8.298 16.894 -0.761 350 1HG GLN 44 HG2 GLN 44 -7.701 15.825 -2.902 351 2HG GLN 44 HG1 GLN 44 -7.396 17.411 -3.611 352 1HE2 GLN 44 HE21 GLN 44 -5.390 15.271 -3.265 353 2HE2 GLN 44 HE22 GLN 44 -4.191 15.895 -2.238 354 H CYS 45 HN CYS 45 -10.389 15.628 -0.599 355 HA CYS 45 HA CYS 45 -10.448 13.476 -2.586 356 1HB CYS 45 HB2 CYS 45 -11.151 13.597 0.361 357 2HB CYS 45 HB1 CYS 45 -10.986 12.113 -0.574 358 H CYS 46 HN CYS 46 -12.841 15.525 -1.017 359 HA CYS 46 HA CYS 46 -15.158 13.882 -1.480 360 1HB CYS 46 HB2 CYS 46 -14.492 16.702 -0.849 361 2HB CYS 46 HB1 CYS 46 -16.057 16.462 -1.622 362 H THR 47 HN THR 47 -13.506 16.326 -3.457 363 HA THR 47 HA THR 47 -15.422 16.128 -5.668 364 HB THR 47 HB THR 47 -13.532 17.564 -6.728 365 HG1 THR 47 HG1 THR 47 -11.801 17.257 -5.528 366 1HG2 THR 47 HG21 THR 47 -14.440 19.477 -5.735 367 2HG2 THR 47 HG22 THR 47 -14.588 18.705 -4.156 368 3HG2 THR 47 HG23 THR 47 -15.700 18.276 -5.456 369 H SER 48 HN SER 48 -12.064 15.060 -5.073 370 HA SER 48 HA SER 48 -12.348 13.199 -7.408 371 1HB SER 48 HB2 SER 48 -10.078 14.959 -6.471 372 2HB SER 48 HB1 SER 48 -9.789 13.586 -7.535 373 HG SER 48 HG SER 48 -11.223 15.958 -7.988 374 H ILE 49 HN ILE 49 -10.958 11.248 -7.207 375 HA ILE 49 HA ILE 49 -11.175 10.097 -4.539 376 HB ILE 49 HB ILE 49 -10.030 9.071 -7.154 377 1HG1 ILE 49 HG12 ILE 49 -12.738 8.557 -5.888 378 2HG1 ILE 49 HG11 ILE 49 -12.462 9.788 -7.121 379 1HG2 ILE 49 HG21 ILE 49 -10.060 6.897 -6.229 380 2HG2 ILE 49 HG22 ILE 49 -11.072 7.391 -4.872 381 3HG2 ILE 49 HG23 ILE 49 -9.380 7.883 -4.936 382 1HD1 ILE 49 HD11 ILE 49 -11.317 7.714 -8.372 383 2HD1 ILE 49 HD12 ILE 49 -13.045 8.042 -8.501 384 3HD1 ILE 49 HD13 ILE 49 -12.461 6.818 -7.373 385 H CYS 50 HN CYS 50 -9.578 9.746 -3.072 386 HA CYS 50 HA CYS 50 -6.829 10.742 -3.709 387 1HB CYS 50 HB2 CYS 50 -8.436 10.356 -1.166 388 2HB CYS 50 HB1 CYS 50 -6.720 10.760 -1.151 389 H SER 51 HN SER 51 -5.036 9.448 -2.680 390 HA SER 51 HA SER 51 -5.387 6.590 -3.194 391 1HB SER 51 HB2 SER 51 -3.009 6.549 -2.889 392 2HB SER 51 HB1 SER 51 -3.363 8.090 -3.663 393 HG SER 51 HG SER 51 -2.604 9.041 -1.961 394 H LEU 52 HN LEU 52 -5.722 5.015 -1.663 395 HA LEU 52 HA LEU 52 -6.674 5.607 0.932 396 1HB LEU 52 HB2 LEU 52 -7.151 3.553 -0.341 397 2HB LEU 52 HB1 LEU 52 -5.466 3.058 -0.186 398 HG LEU 52 HG LEU 52 -5.712 3.016 2.280 399 1HD1 LEU 52 HD11 LEU 52 -8.161 3.075 3.103 400 2HD1 LEU 52 HD12 LEU 52 -8.518 3.893 1.582 401 3HD1 LEU 52 HD13 LEU 52 -7.398 4.622 2.733 402 1HD2 LEU 52 HD21 LEU 52 -6.154 0.969 0.954 403 2HD2 LEU 52 HD22 LEU 52 -7.852 1.428 0.825 404 3HD2 LEU 52 HD23 LEU 52 -7.164 1.030 2.399 405 H TYR 53 HN TYR 53 -3.387 5.057 -0.205 406 HA TYR 53 HA TYR 53 -2.114 4.378 2.245 407 1HB TYR 53 HB2 TYR 53 -1.125 4.298 -0.030 408 2HB TYR 53 HB1 TYR 53 -1.097 6.055 -0.041 409 HD1 TYR 53 HD1 TYR 53 0.395 7.316 1.488 410 HD2 TYR 53 HD2 TYR 53 0.454 3.025 1.293 411 HE1 TYR 53 HE1 TYR 53 2.570 7.290 2.682 412 HE2 TYR 53 HE2 TYR 53 2.627 3.000 2.488 413 HH TYR 53 HH TYR 53 4.612 4.781 2.728 414 H GLN 54 HN GLN 54 -2.828 7.582 0.837 415 HA GLN 54 HA GLN 54 -1.583 9.101 2.964 416 1HB GLN 54 HB2 GLN 54 -3.697 9.697 0.869 417 2HB GLN 54 HB1 GLN 54 -3.023 10.934 1.931 418 1HG GLN 54 HG2 GLN 54 -0.757 10.425 1.097 419 2HG GLN 54 HG1 GLN 54 -1.425 9.184 0.037 420 1HE2 GLN 54 HE21 GLN 54 0.008 11.538 -0.924 421 2HE2 GLN 54 HE22 GLN 54 -1.088 12.460 -1.834 422 H LEU 55 HN LEU 55 -4.901 7.962 2.342 423 HA LEU 55 HA LEU 55 -6.222 9.256 4.519 424 1HB LEU 55 HB2 LEU 55 -6.694 6.572 3.175 425 2HB LEU 55 HB1 LEU 55 -7.871 7.407 4.185 426 HG LEU 55 HG LEU 55 -6.670 8.534 1.637 427 1HD1 LEU 55 HD11 LEU 55 -8.121 6.996 0.742 428 2HD1 LEU 55 HD12 LEU 55 -9.304 8.249 1.117 429 3HD1 LEU 55 HD13 LEU 55 -9.082 6.889 2.217 430 1HD2 LEU 55 HD21 LEU 55 -8.731 9.519 3.618 431 2HD2 LEU 55 HD22 LEU 55 -8.676 10.123 1.962 432 3HD2 LEU 55 HD23 LEU 55 -7.294 10.356 3.031 433 H GLU 56 HN GLU 56 -4.593 6.109 4.294 434 HA GLU 56 HA GLU 56 -5.143 5.133 6.911 435 1HB GLU 56 HB2 GLU 56 -2.865 4.730 4.957 436 2HB GLU 56 HB1 GLU 56 -3.045 3.771 6.426 437 1HG GLU 56 HG2 GLU 56 -5.175 2.918 5.704 438 2HG GLU 56 HG1 GLU 56 -5.232 4.042 4.348 439 H ASN 57 HN ASN 57 -2.470 7.175 5.718 440 HA ASN 57 HA ASN 57 -0.907 7.171 8.117 441 1HB ASN 57 HB2 ASN 57 -0.415 7.998 5.704 442 2HB ASN 57 HB1 ASN 57 -1.162 9.509 6.225 443 1HD2 ASN 57 HD21 ASN 57 0.372 10.978 6.963 444 2HD2 ASN 57 HD22 ASN 57 1.805 10.571 7.777 445 H TYR 58 HN TYR 58 -3.530 9.351 7.042 446 HA TYR 58 HA TYR 58 -3.381 11.240 9.175 447 1HB TYR 58 HB2 TYR 58 -5.630 10.182 7.453 448 2HB TYR 58 HB1 TYR 58 -5.848 11.517 8.580 449 HD1 TYR 58 HD1 TYR 58 -3.838 13.348 8.419 450 HD2 TYR 58 HD2 TYR 58 -5.142 10.751 5.258 451 HE1 TYR 58 HE1 TYR 58 -2.885 14.908 6.742 452 HE2 TYR 58 HE2 TYR 58 -4.190 12.307 3.582 453 HH TYR 58 HH TYR 58 -2.589 14.059 3.395 454 H CYS 59 HN CYS 59 -5.124 8.144 8.939 455 HA CYS 59 HA CYS 59 -6.219 8.430 11.670 456 1HB CYS 59 HB2 CYS 59 -7.329 7.450 9.532 457 2HB CYS 59 HB1 CYS 59 -6.364 6.013 9.869 458 H ASN 60 HN ASN 60 -3.297 7.328 10.326 459 HA ASN 60 HA ASN 60 -2.811 4.967 11.918 460 1HB ASN 60 HB2 ASN 60 -1.238 6.932 10.300 461 2HB ASN 60 HB1 ASN 60 -0.349 5.862 11.381 462 1HD2 ASN 60 HD21 ASN 60 0.110 5.482 8.687 463 2HD2 ASN 60 HD22 ASN 60 -0.658 4.072 8.138 Start of MODEL 7 1 1H PHE 1 HT1 PHE 1 -20.429 -3.597 -4.995 2 2H PHE 1 HT2 PHE 1 -19.024 -3.309 -4.085 3 3H PHE 1 HT3 PHE 1 -19.062 -4.577 -5.216 4 HA PHE 1 HA PHE 1 -17.818 -2.715 -6.126 5 1HB PHE 1 HB2 PHE 1 -19.234 -4.241 -7.503 6 2HB PHE 1 HB1 PHE 1 -20.580 -3.116 -7.323 7 HD1 PHE 1 HD1 PHE 1 -17.291 -3.678 -8.874 8 HD2 PHE 1 HD2 PHE 1 -20.567 -0.936 -8.432 9 HE1 PHE 1 HE1 PHE 1 -16.432 -2.345 -10.780 10 HE2 PHE 1 HE2 PHE 1 -19.708 0.397 -10.338 11 HZ PHE 1 HZ PHE 1 -17.641 -0.307 -11.513 12 H VAL 2 HN VAL 2 -17.738 -0.828 -4.751 13 HA VAL 2 HA VAL 2 -19.879 1.162 -5.264 14 HB VAL 2 HB VAL 2 -19.532 1.872 -2.912 15 1HG1 VAL 2 HG11 VAL 2 -20.680 0.011 -1.889 16 2HG1 VAL 2 HG12 VAL 2 -20.046 -1.104 -3.099 17 3HG1 VAL 2 HG13 VAL 2 -21.229 0.120 -3.562 18 1HG2 VAL 2 HG21 VAL 2 -18.106 0.654 -1.426 19 2HG2 VAL 2 HG22 VAL 2 -17.135 0.982 -2.861 20 3HG2 VAL 2 HG23 VAL 2 -17.839 -0.616 -2.620 21 H ASN 3 HN ASN 3 -19.138 3.410 -5.103 22 HA ASN 3 HA ASN 3 -16.238 3.959 -5.078 23 1HB ASN 3 HB2 ASN 3 -18.025 4.077 -7.516 24 2HB ASN 3 HB1 ASN 3 -16.575 5.073 -7.406 25 1HD2 ASN 3 HD21 ASN 3 -17.284 2.588 -9.113 26 2HD2 ASN 3 HD22 ASN 3 -15.966 1.546 -8.871 27 H GLN 4 HN GLN 4 -18.277 4.809 -3.351 28 HA GLN 4 HA GLN 4 -19.303 7.435 -4.146 29 1HB GLN 4 HB2 GLN 4 -19.160 6.075 -1.441 30 2HB GLN 4 HB1 GLN 4 -20.206 7.421 -1.870 31 1HG GLN 4 HG2 GLN 4 -20.304 4.666 -3.139 32 2HG GLN 4 HG1 GLN 4 -21.436 5.271 -1.931 33 1HE2 GLN 4 HE21 GLN 4 -21.691 4.561 -4.963 34 2HE2 GLN 4 HE22 GLN 4 -22.497 5.907 -5.609 35 H HIS 5 HN HIS 5 -18.762 9.402 -2.941 36 HA HIS 5 HA HIS 5 -15.878 9.771 -2.603 37 1HB HIS 5 HB2 HIS 5 -18.311 11.544 -2.211 38 2HB HIS 5 HB1 HIS 5 -16.646 12.121 -2.147 39 HD1 HIS 5 HD1 HIS 5 -15.272 12.067 -4.385 40 HD2 HIS 5 HD2 HIS 5 -19.282 11.011 -4.809 41 HE1 HIS 5 HE1 HIS 5 -15.766 12.114 -6.869 42 H LEU 6 HN LEU 6 -14.778 9.912 -0.639 43 HA LEU 6 HA LEU 6 -16.193 9.124 1.797 44 1HB LEU 6 HB2 LEU 6 -13.376 9.499 0.868 45 2HB LEU 6 HB1 LEU 6 -13.684 9.503 2.605 46 HG LEU 6 HG LEU 6 -14.677 7.329 0.746 47 1HD1 LEU 6 HD11 LEU 6 -12.378 6.991 2.652 48 2HD1 LEU 6 HD12 LEU 6 -12.087 7.664 1.048 49 3HD1 LEU 6 HD13 LEU 6 -12.780 6.051 1.215 50 1HD2 LEU 6 HD21 LEU 6 -14.986 7.984 3.595 51 2HD2 LEU 6 HD22 LEU 6 -14.403 6.341 3.331 52 3HD2 LEU 6 HD23 LEU 6 -15.914 6.868 2.593 53 H CYS 7 HN CYS 7 -17.527 11.047 2.036 54 HA CYS 7 HA CYS 7 -16.127 13.259 3.449 55 1HB CYS 7 HB2 CYS 7 -17.482 13.332 0.799 56 2HB CYS 7 HB1 CYS 7 -17.864 14.659 1.891 57 H GLY 8 HN GLY 8 -18.117 14.898 4.045 58 1HA GLY 8 HA2 GLY 8 -19.994 15.161 5.424 59 2HA GLY 8 HA1 GLY 8 -20.762 14.016 4.320 60 H SER 9 HN SER 9 -21.821 12.636 5.750 61 HA SER 9 HA SER 9 -20.702 11.818 8.310 62 1HB SER 9 HB2 SER 9 -22.736 10.521 8.439 63 2HB SER 9 HB1 SER 9 -23.139 12.035 7.633 64 HG SER 9 HG SER 9 -23.983 10.261 6.495 65 H HIS 10 HN HIS 10 -20.547 10.558 5.047 66 HA HIS 10 HA HIS 10 -19.949 7.813 5.637 67 1HB HIS 10 HB2 HIS 10 -19.336 9.665 3.322 68 2HB HIS 10 HB1 HIS 10 -19.028 7.929 3.272 69 HD1 HIS 10 HD1 HIS 10 -21.737 10.448 3.051 70 HD2 HIS 10 HD2 HIS 10 -21.446 6.308 3.438 71 HE1 HIS 10 HE1 HIS 10 -24.041 9.520 2.558 72 H LEU 11 HN LEU 11 -17.811 10.646 5.178 73 HA LEU 11 HA LEU 11 -15.323 9.257 5.177 74 1HB LEU 11 HB2 LEU 11 -15.646 11.608 4.522 75 2HB LEU 11 HB1 LEU 11 -16.045 12.027 6.187 76 HG LEU 11 HG LEU 11 -13.782 11.271 6.898 77 1HD1 LEU 11 HD11 LEU 11 -13.384 9.642 5.087 78 2HD1 LEU 11 HD12 LEU 11 -12.080 10.826 5.162 79 3HD1 LEU 11 HD13 LEU 11 -13.320 10.958 3.915 80 1HD2 LEU 11 HD21 LEU 11 -13.581 13.251 4.615 81 2HD2 LEU 11 HD22 LEU 11 -12.604 13.196 6.083 82 3HD2 LEU 11 HD23 LEU 11 -14.304 13.655 6.172 83 H VAL 12 HN VAL 12 -17.114 10.687 7.928 84 HA VAL 12 HA VAL 12 -15.199 10.041 9.951 85 HB VAL 12 HB VAL 12 -18.207 10.452 9.972 86 1HG1 VAL 12 HG11 VAL 12 -16.236 10.293 12.270 87 2HG1 VAL 12 HG12 VAL 12 -17.678 9.308 12.026 88 3HG1 VAL 12 HG13 VAL 12 -17.836 11.021 12.416 89 1HG2 VAL 12 HG21 VAL 12 -16.792 12.338 9.164 90 2HG2 VAL 12 HG22 VAL 12 -15.911 12.299 10.692 91 3HG2 VAL 12 HG23 VAL 12 -17.623 12.721 10.672 92 H GLU 13 HN GLU 13 -18.151 8.308 8.945 93 HA GLU 13 HA GLU 13 -17.959 6.124 10.739 94 1HB GLU 13 HB2 GLU 13 -19.928 6.726 9.381 95 2HB GLU 13 HB1 GLU 13 -19.061 6.264 7.917 96 1HG GLU 13 HG2 GLU 13 -18.870 3.947 8.757 97 2HG GLU 13 HG1 GLU 13 -19.736 4.407 10.220 98 H ALA 14 HN ALA 14 -16.736 6.386 7.400 99 HA ALA 14 HA ALA 14 -15.715 3.761 7.144 100 1HB ALA 14 HB1 ALA 14 -14.114 5.726 5.739 101 2HB ALA 14 HB2 ALA 14 -15.820 6.161 5.675 102 3HB ALA 14 HB3 ALA 14 -15.292 4.585 5.093 103 H LEU 15 HN LEU 15 -13.839 6.717 7.984 104 HA LEU 15 HA LEU 15 -11.353 5.405 8.394 105 1HB LEU 15 HB2 LEU 15 -12.575 7.929 9.526 106 2HB LEU 15 HB1 LEU 15 -10.885 7.490 9.774 107 HG LEU 15 HG LEU 15 -12.187 7.740 7.048 108 1HD1 LEU 15 HD11 LEU 15 -10.379 9.772 7.194 109 2HD1 LEU 15 HD12 LEU 15 -10.947 9.731 8.863 110 3HD1 LEU 15 HD13 LEU 15 -12.096 9.969 7.546 111 1HD2 LEU 15 HD21 LEU 15 -9.347 7.327 8.021 112 2HD2 LEU 15 HD22 LEU 15 -9.725 7.843 6.378 113 3HD2 LEU 15 HD23 LEU 15 -10.286 6.277 6.960 114 H TYR 16 HN TYR 16 -13.893 6.178 10.805 115 HA TYR 16 HA TYR 16 -12.473 5.275 13.098 116 1HB TYR 16 HB2 TYR 16 -15.295 5.787 12.304 117 2HB TYR 16 HB1 TYR 16 -15.049 4.837 13.771 118 HD1 TYR 16 HD1 TYR 16 -14.582 5.920 15.793 119 HD2 TYR 16 HD2 TYR 16 -13.864 7.976 12.090 120 HE1 TYR 16 HE1 TYR 16 -13.998 7.977 17.049 121 HE2 TYR 16 HE2 TYR 16 -13.283 10.034 13.346 122 HH TYR 16 HH TYR 16 -13.578 11.041 15.478 123 H LEU 17 HN LEU 17 -14.569 3.418 10.858 124 HA LEU 17 HA LEU 17 -14.513 0.988 12.376 125 1HB LEU 17 HB2 LEU 17 -14.980 1.642 9.485 126 2HB LEU 17 HB1 LEU 17 -15.202 0.024 10.134 127 HG LEU 17 HG LEU 17 -16.613 2.509 11.149 128 1HD1 LEU 17 HD11 LEU 17 -18.170 0.333 9.897 129 2HD1 LEU 17 HD12 LEU 17 -17.121 1.208 8.783 130 3HD1 LEU 17 HD13 LEU 17 -18.333 2.080 9.721 131 1HD2 LEU 17 HD21 LEU 17 -16.489 -0.352 11.995 132 2HD2 LEU 17 HD22 LEU 17 -18.063 0.441 12.068 133 3HD2 LEU 17 HD23 LEU 17 -16.701 1.100 12.974 134 H VAL 18 HN VAL 18 -12.490 2.199 9.714 135 HA VAL 18 HA VAL 18 -10.902 -0.198 9.445 136 HB VAL 18 HB VAL 18 -10.439 2.677 8.678 137 1HG1 VAL 18 HG11 VAL 18 -8.307 1.800 8.416 138 2HG1 VAL 18 HG12 VAL 18 -9.015 1.376 6.858 139 3HG1 VAL 18 HG13 VAL 18 -8.907 0.166 8.137 140 1HG2 VAL 18 HG21 VAL 18 -12.477 1.330 7.798 141 2HG2 VAL 18 HG22 VAL 18 -11.282 0.424 6.870 142 3HG2 VAL 18 HG23 VAL 18 -11.462 2.161 6.619 143 H CYS 19 HN CYS 19 -10.389 2.876 11.164 144 HA CYS 19 HA CYS 19 -7.757 2.211 12.145 145 1HB CYS 19 HB2 CYS 19 -9.863 4.188 12.986 146 2HB CYS 19 HB1 CYS 19 -8.223 4.187 13.626 147 H GLY 20 HN GLY 20 -11.027 1.834 13.469 148 1HA GLY 20 HA2 GLY 20 -11.801 0.489 15.223 149 2HA GLY 20 HA1 GLY 20 -10.228 -0.299 15.212 150 H GLU 21 HN GLU 21 -8.476 0.743 16.424 151 HA GLU 21 HA GLU 21 -9.145 1.546 19.040 152 1HB GLU 21 HB2 GLU 21 -6.697 1.967 17.311 153 2HB GLU 21 HB1 GLU 21 -6.721 2.354 19.031 154 1HG GLU 21 HG2 GLU 21 -7.187 0.064 19.618 155 2HG GLU 21 HG1 GLU 21 -7.460 -0.371 17.932 156 H ARG 22 HN ARG 22 -9.174 3.616 20.073 157 HA ARG 22 HA ARG 22 -9.831 5.880 18.282 158 1HB ARG 22 HB2 ARG 22 -10.218 5.353 21.240 159 2HB ARG 22 HB1 ARG 22 -10.758 6.817 20.419 160 1HG ARG 22 HG2 ARG 22 -12.158 5.425 18.907 161 2HG ARG 22 HG1 ARG 22 -11.658 3.988 19.801 162 1HD ARG 22 HD2 ARG 22 -12.577 5.052 21.899 163 2HD ARG 22 HD1 ARG 22 -13.239 6.346 20.881 164 HE ARG 22 HE ARG 22 -14.700 4.726 19.829 165 1HH1 ARG 22 HH21 ARG 22 -14.346 4.030 22.940 166 2HH1 ARG 22 HH22 ARG 22 -14.475 2.307 22.828 167 1HH2 ARG 22 HH11 ARG 22 -14.126 2.240 19.378 168 2HH2 ARG 22 HH12 ARG 22 -14.350 1.293 20.811 169 H GLY 23 HN GLY 23 -7.021 4.786 19.507 170 1HA GLY 23 HA2 GLY 23 -6.056 7.125 20.938 171 2HA GLY 23 HA1 GLY 23 -5.080 5.758 20.416 172 H PHE 24 HN PHE 24 -6.644 6.690 17.650 173 HA PHE 24 HA PHE 24 -4.254 7.958 16.581 174 1HB PHE 24 HB2 PHE 24 -5.614 8.045 14.509 175 2HB PHE 24 HB1 PHE 24 -5.690 6.457 15.266 176 HD1 PHE 24 HD1 PHE 24 -7.524 9.683 14.902 177 HD2 PHE 24 HD2 PHE 24 -7.744 5.543 15.981 178 HE1 PHE 24 HE1 PHE 24 -9.997 9.845 14.993 179 HE2 PHE 24 HE2 PHE 24 -10.220 5.697 16.086 180 HZ PHE 24 HZ PHE 24 -11.346 7.851 15.590 181 H PHE 25 HN PHE 25 -3.890 10.124 16.197 182 HA PHE 25 HA PHE 25 -5.522 12.074 17.597 183 1HB PHE 25 HB2 PHE 25 -3.113 12.279 15.770 184 2HB PHE 25 HB1 PHE 25 -3.760 13.619 16.717 185 HD1 PHE 25 HD1 PHE 25 -1.749 10.598 16.773 186 HD2 PHE 25 HD2 PHE 25 -3.819 13.449 19.231 187 HE1 PHE 25 HE1 PHE 25 -0.471 9.821 18.752 188 HE2 PHE 25 HE2 PHE 25 -2.541 12.672 21.209 189 HZ PHE 25 HZ PHE 25 -0.867 10.858 20.969 190 H TYR 26 HN TYR 26 -4.863 11.304 14.179 191 HA TYR 26 HA TYR 26 -5.885 12.064 12.184 192 1HB TYR 26 HB2 TYR 26 -7.714 10.816 13.319 193 2HB TYR 26 HB1 TYR 26 -8.220 12.306 14.114 194 HD1 TYR 26 HD1 TYR 26 -7.303 11.186 10.645 195 HD2 TYR 26 HD2 TYR 26 -10.015 13.413 13.123 196 HE1 TYR 26 HE1 TYR 26 -8.633 11.793 8.643 197 HE2 TYR 26 HE2 TYR 26 -11.346 14.020 11.120 198 HH TYR 26 HH TYR 26 -11.416 12.564 8.448 199 H THR 27 HN THR 27 -4.533 14.066 13.828 200 HA THR 27 HA THR 27 -6.171 16.479 13.806 201 HB THR 27 HB THR 27 -3.886 17.428 14.529 202 HG1 THR 27 HG1 THR 27 -2.287 16.023 14.780 203 1HG2 THR 27 HG21 THR 27 -5.611 16.870 16.150 204 2HG2 THR 27 HG22 THR 27 -4.055 16.299 16.753 205 3HG2 THR 27 HG23 THR 27 -5.199 15.158 16.046 206 HA PRO 28 HA PRO 28 -4.840 17.263 9.550 207 1HB PRO 28 HB2 PRO 28 -6.304 19.552 9.188 208 2HB PRO 28 HB1 PRO 28 -7.007 17.929 9.059 209 1HG PRO 28 HG2 PRO 28 -7.118 19.867 11.313 210 2HG PRO 28 HG1 PRO 28 -8.370 18.784 10.690 211 1HD PRO 28 HD2 PRO 28 -6.927 18.262 12.934 212 2HD PRO 28 HD1 PRO 28 -7.615 16.995 11.894 213 H LYS 29 HN LYS 29 -4.467 19.940 8.706 214 HA LYS 29 HA LYS 29 -1.932 20.584 9.856 215 1HB LYS 29 HB2 LYS 29 -2.943 21.125 7.553 216 2HB LYS 29 HB1 LYS 29 -3.770 22.460 8.354 217 1HG LYS 29 HG2 LYS 29 -1.776 23.429 7.528 218 2HG LYS 29 HG1 LYS 29 -1.435 23.128 9.233 219 1HD LYS 29 HD2 LYS 29 0.033 21.416 8.784 220 2HD LYS 29 HD1 LYS 29 -0.823 20.926 7.322 221 1HE LYS 29 HE2 LYS 29 0.088 22.814 6.085 222 2HE LYS 29 HE1 LYS 29 0.839 23.460 7.559 223 1HZ LYS 29 HZ1 LYS 29 1.393 20.812 6.325 224 2HZ LYS 29 HZ2 LYS 29 2.056 21.365 7.787 225 3HZ LYS 29 HZ3 LYS 29 2.440 22.146 6.329 226 H THR 30 HN THR 30 -4.973 22.463 9.985 227 HA THR 30 HA THR 30 -5.630 24.207 11.452 228 HB THR 30 HB THR 30 -6.445 22.102 12.401 229 HG1 THR 30 HG1 THR 30 -7.068 23.188 14.071 230 1HG2 THR 30 HG21 THR 30 -3.734 22.075 13.733 231 2HG2 THR 30 HG22 THR 30 -4.471 20.818 12.741 232 3HG2 THR 30 HG23 THR 30 -5.097 21.146 14.357 233 H ARG 31 HN ARG 31 -2.824 24.623 10.836 234 HA ARG 31 HA ARG 31 -1.408 25.108 13.337 235 1HB ARG 31 HB2 ARG 31 -0.940 25.708 10.415 236 2HB ARG 31 HB1 ARG 31 0.174 26.274 11.660 237 1HG ARG 31 HG2 ARG 31 0.431 23.925 12.453 238 2HG ARG 31 HG1 ARG 31 -0.608 23.390 11.131 239 1HD ARG 31 HD2 ARG 31 1.023 24.472 9.519 240 2HD ARG 31 HD1 ARG 31 2.108 24.727 10.900 241 HE ARG 31 HE ARG 31 1.056 21.984 10.397 242 1HH1 ARG 31 HH21 ARG 31 3.613 24.043 9.532 243 2HH1 ARG 31 HH22 ARG 31 4.865 22.922 9.952 244 1HH2 ARG 31 HH11 ARG 31 2.705 20.618 11.376 245 2HH2 ARG 31 HH12 ARG 31 4.352 20.990 10.993 246 H ARG 32 HN ARG 32 -2.184 27.413 10.716 247 HA ARG 32 HA ARG 32 -2.150 29.694 12.471 248 1HB ARG 32 HB2 ARG 32 -3.137 29.189 9.654 249 2HB ARG 32 HB1 ARG 32 -3.128 30.790 10.392 250 1HG ARG 32 HG2 ARG 32 -0.705 30.644 10.746 251 2HG ARG 32 HG1 ARG 32 -0.690 29.010 10.084 252 1HD ARG 32 HD2 ARG 32 0.015 30.546 8.327 253 2HD ARG 32 HD1 ARG 32 -1.616 29.977 7.923 254 HE ARG 32 HE ARG 32 -2.243 32.174 9.342 255 1HH1 ARG 32 HH11 ARG 32 0.834 32.617 8.545 256 2HH1 ARG 32 HH12 ARG 32 0.604 33.831 7.331 257 1HH2 ARG 32 HH21 ARG 32 -2.820 33.332 7.105 258 2HH2 ARG 32 HH22 ARG 32 -1.465 34.235 6.516 259 H TYR 33 HN TYR 33 -4.756 27.723 11.057 260 HA TYR 33 HA TYR 33 -6.611 28.653 13.164 261 1HB TYR 33 HB2 TYR 33 -6.519 30.209 11.074 262 2HB TYR 33 HB1 TYR 33 -7.411 28.909 10.293 263 HD1 TYR 33 HD1 TYR 33 -7.463 31.190 13.240 264 HD2 TYR 33 HD2 TYR 33 -9.732 28.630 10.643 265 HE1 TYR 33 HE1 TYR 33 -9.564 31.987 14.290 266 HE2 TYR 33 HE2 TYR 33 -11.833 29.426 11.693 267 HH TYR 33 HH TYR 33 -12.282 31.996 13.182 268 HA PRO 34 HA PRO 34 -7.909 24.453 12.561 269 1HB PRO 34 HB2 PRO 34 -10.334 24.527 13.834 270 2HB PRO 34 HB1 PRO 34 -8.783 24.484 14.698 271 1HG PRO 34 HG2 PRO 34 -10.577 26.792 14.144 272 2HG PRO 34 HG1 PRO 34 -9.627 26.420 15.590 273 1HD PRO 34 HD2 PRO 34 -8.863 28.257 13.731 274 2HD PRO 34 HD1 PRO 34 -7.717 27.348 14.739 275 H GLY 35 HN GLY 35 -10.593 26.796 12.175 276 1HA GLY 35 HA2 GLY 35 -11.980 27.171 10.304 277 2HA GLY 35 HA1 GLY 35 -10.997 26.023 9.397 278 H ASP 36 HN ASP 36 -13.939 26.478 11.070 279 HA ASP 36 HA ASP 36 -14.545 23.676 11.625 280 1HB ASP 36 HB2 ASP 36 -16.165 26.234 11.418 281 2HB ASP 36 HB1 ASP 36 -16.868 24.691 11.900 282 H VAL 37 HN VAL 37 -16.074 22.386 10.402 283 HA VAL 37 HA VAL 37 -17.065 21.497 8.468 284 HB VAL 37 HB VAL 37 -17.029 24.390 7.542 285 1HG1 VAL 37 HG11 VAL 37 -17.542 23.056 5.667 286 2HG1 VAL 37 HG12 VAL 37 -19.124 23.495 6.313 287 3HG1 VAL 37 HG13 VAL 37 -18.453 21.896 6.635 288 1HG2 VAL 37 HG21 VAL 37 -18.244 23.506 9.811 289 2HG2 VAL 37 HG22 VAL 37 -19.497 23.144 8.626 290 3HG2 VAL 37 HG23 VAL 37 -18.900 24.794 8.803 291 H LYS 38 HN LYS 38 -14.966 24.151 7.260 292 HA LYS 38 HA LYS 38 -13.812 22.434 5.187 293 1HB LYS 38 HB2 LYS 38 -14.215 24.863 4.903 294 2HB LYS 38 HB1 LYS 38 -13.106 25.203 6.231 295 1HG LYS 38 HG2 LYS 38 -11.959 25.501 4.081 296 2HG LYS 38 HG1 LYS 38 -11.268 24.134 4.953 297 1HD LYS 38 HD2 LYS 38 -12.607 22.573 3.614 298 2HD LYS 38 HD1 LYS 38 -13.358 23.925 2.766 299 1HE LYS 38 HE2 LYS 38 -10.355 23.655 2.801 300 2HE LYS 38 HE1 LYS 38 -11.328 22.748 1.627 301 1HZ LYS 38 HZ1 LYS 38 -12.313 24.728 0.835 302 2HZ LYS 38 HZ2 LYS 38 -10.646 25.047 0.907 303 3HZ LYS 38 HZ3 LYS 38 -11.682 25.654 2.109 304 H ARG 39 HN ARG 39 -11.546 21.807 5.168 305 HA ARG 39 HA ARG 39 -9.998 22.097 7.661 306 1HB ARG 39 HB2 ARG 39 -10.817 19.416 6.494 307 2HB ARG 39 HB1 ARG 39 -9.785 19.645 7.903 308 1HG ARG 39 HG2 ARG 39 -11.722 20.918 8.965 309 2HG ARG 39 HG1 ARG 39 -12.720 20.339 7.633 310 1HD ARG 39 HD2 ARG 39 -13.045 18.750 9.392 311 2HD ARG 39 HD1 ARG 39 -11.894 17.972 8.286 312 HE ARG 39 HE ARG 39 -10.107 19.072 9.833 313 1HH1 ARG 39 HH11 ARG 39 -11.532 16.470 10.735 314 2HH1 ARG 39 HH12 ARG 39 -11.825 16.842 12.402 315 1HH2 ARG 39 HH21 ARG 39 -11.211 20.234 12.029 316 2HH2 ARG 39 HH22 ARG 39 -11.642 18.972 13.134 317 H GLY 40 HN GLY 40 -10.175 20.796 4.355 318 1HA GLY 40 HA2 GLY 40 -8.295 21.628 2.864 319 2HA GLY 40 HA1 GLY 40 -7.208 21.107 4.153 320 H ILE 41 HN ILE 41 -7.951 18.694 4.870 321 HA ILE 41 HA ILE 41 -7.239 16.988 2.651 322 HB ILE 41 HB ILE 41 -7.556 15.209 4.349 323 1HG1 ILE 41 HG12 ILE 41 -8.539 17.418 6.181 324 2HG1 ILE 41 HG11 ILE 41 -9.617 16.282 5.371 325 1HG2 ILE 41 HG21 ILE 41 -5.530 16.735 4.303 326 2HG2 ILE 41 HG22 ILE 41 -5.846 15.958 5.854 327 3HG2 ILE 41 HG23 ILE 41 -6.285 17.649 5.608 328 1HD1 ILE 41 HD11 ILE 41 -8.951 14.512 6.678 329 2HD1 ILE 41 HD12 ILE 41 -8.624 15.814 7.822 330 3HD1 ILE 41 HD13 ILE 41 -7.310 15.131 6.863 331 H VAL 42 HN VAL 42 -10.295 18.061 3.981 332 HA VAL 42 HA VAL 42 -12.020 15.984 3.088 333 HB VAL 42 HB VAL 42 -12.431 18.955 3.373 334 1HG1 VAL 42 HG11 VAL 42 -14.867 17.951 3.851 335 2HG1 VAL 42 HG12 VAL 42 -14.294 16.717 2.729 336 3HG1 VAL 42 HG13 VAL 42 -14.358 18.405 2.224 337 1HG2 VAL 42 HG21 VAL 42 -11.702 17.306 5.330 338 2HG2 VAL 42 HG22 VAL 42 -13.421 16.910 5.311 339 3HG2 VAL 42 HG23 VAL 42 -12.902 18.569 5.606 340 H GLU 43 HN GLU 43 -10.775 18.853 1.394 341 HA GLU 43 HA GLU 43 -12.297 18.704 -0.981 342 1HB GLU 43 HB2 GLU 43 -9.447 19.562 -0.427 343 2HB GLU 43 HB1 GLU 43 -10.247 19.839 -1.972 344 1HG GLU 43 HG2 GLU 43 -12.020 21.122 -0.815 345 2HG GLU 43 HG1 GLU 43 -11.196 20.859 0.722 346 H GLN 44 HN GLN 44 -9.322 16.994 -0.067 347 HA GLN 44 HA GLN 44 -8.699 15.821 -2.584 348 1HB GLN 44 HB2 GLN 44 -7.284 15.891 -0.523 349 2HB GLN 44 HB1 GLN 44 -8.347 14.689 0.211 350 1HG GLN 44 HG2 GLN 44 -7.822 13.106 -1.603 351 2HG GLN 44 HG1 GLN 44 -6.764 14.306 -2.346 352 1HE2 GLN 44 HE21 GLN 44 -5.884 11.699 -1.352 353 2HE2 GLN 44 HE22 GLN 44 -4.779 11.991 -0.097 354 H CYS 45 HN CYS 45 -10.848 14.668 0.035 355 HA CYS 45 HA CYS 45 -11.580 12.255 -1.498 356 1HB CYS 45 HB2 CYS 45 -12.628 13.410 1.104 357 2HB CYS 45 HB1 CYS 45 -12.935 11.785 0.505 358 H CYS 46 HN CYS 46 -13.082 15.343 -0.532 359 HA CYS 46 HA CYS 46 -15.715 14.781 -1.552 360 1HB CYS 46 HB2 CYS 46 -14.111 17.137 -0.680 361 2HB CYS 46 HB1 CYS 46 -15.556 17.465 -1.628 362 H THR 47 HN THR 47 -12.942 16.532 -3.023 363 HA THR 47 HA THR 47 -14.306 17.091 -5.520 364 HB THR 47 HB THR 47 -11.357 16.892 -4.800 365 HG1 THR 47 HG1 THR 47 -11.624 19.179 -4.583 366 1HG2 THR 47 HG21 THR 47 -12.448 17.111 -7.324 367 2HG2 THR 47 HG22 THR 47 -10.844 17.680 -6.862 368 3HG2 THR 47 HG23 THR 47 -12.208 18.798 -6.869 369 H SER 48 HN SER 48 -12.066 14.568 -4.431 370 HA SER 48 HA SER 48 -12.978 12.818 -6.670 371 1HB SER 48 HB2 SER 48 -10.113 13.380 -5.826 372 2HB SER 48 HB1 SER 48 -10.597 12.211 -7.052 373 HG SER 48 HG SER 48 -10.275 13.954 -8.254 374 H ILE 49 HN ILE 49 -12.743 10.521 -6.104 375 HA ILE 49 HA ILE 49 -13.176 9.943 -3.310 376 HB ILE 49 HB ILE 49 -12.508 8.206 -5.713 377 1HG1 ILE 49 HG12 ILE 49 -15.172 8.738 -4.371 378 2HG1 ILE 49 HG11 ILE 49 -14.596 9.657 -5.761 379 1HG2 ILE 49 HG21 ILE 49 -13.302 6.320 -4.442 380 2HG2 ILE 49 HG22 ILE 49 -13.807 7.358 -3.108 381 3HG2 ILE 49 HG23 ILE 49 -12.092 7.130 -3.447 382 1HD1 ILE 49 HD11 ILE 49 -14.242 7.313 -6.856 383 2HD1 ILE 49 HD12 ILE 49 -15.877 7.966 -6.763 384 3HD1 ILE 49 HD13 ILE 49 -15.348 6.747 -5.605 385 H CYS 50 HN CYS 50 -11.666 9.658 -1.737 386 HA CYS 50 HA CYS 50 -8.829 9.879 -2.261 387 1HB CYS 50 HB2 CYS 50 -10.634 9.375 0.086 388 2HB CYS 50 HB1 CYS 50 -8.897 9.135 0.281 389 H SER 51 HN SER 51 -7.278 8.264 -2.381 390 HA SER 51 HA SER 51 -8.179 5.546 -2.964 391 1HB SER 51 HB2 SER 51 -5.853 5.242 -3.566 392 2HB SER 51 HB1 SER 51 -6.348 6.839 -4.119 393 HG SER 51 HG SER 51 -4.290 6.543 -2.825 394 H LEU 52 HN LEU 52 -7.349 3.654 -1.860 395 HA LEU 52 HA LEU 52 -7.652 3.636 0.958 396 1HB LEU 52 HB2 LEU 52 -7.954 1.705 -0.552 397 2HB LEU 52 HB1 LEU 52 -6.227 1.707 -0.903 398 HG LEU 52 HG LEU 52 -5.842 1.410 1.598 399 1HD1 LEU 52 HD11 LEU 52 -8.080 0.170 2.490 400 2HD1 LEU 52 HD12 LEU 52 -8.809 1.392 1.447 401 3HD1 LEU 52 HD13 LEU 52 -7.751 1.880 2.771 402 1HD2 LEU 52 HD21 LEU 52 -5.616 -0.461 0.029 403 2HD2 LEU 52 HD22 LEU 52 -7.357 -0.740 0.080 404 3HD2 LEU 52 HD23 LEU 52 -6.375 -1.022 1.518 405 H TYR 53 HN TYR 53 -4.716 3.732 -1.049 406 HA TYR 53 HA TYR 53 -2.762 3.361 0.969 407 1HB TYR 53 HB2 TYR 53 -2.428 3.356 -1.494 408 2HB TYR 53 HB1 TYR 53 -2.663 5.097 -1.489 409 HD1 TYR 53 HD1 TYR 53 -1.054 6.578 -0.237 410 HD2 TYR 53 HD2 TYR 53 -0.346 2.385 -0.845 411 HE1 TYR 53 HE1 TYR 53 1.343 6.903 0.310 412 HE2 TYR 53 HE2 TYR 53 2.051 2.710 -0.296 413 HH TYR 53 HH TYR 53 3.705 4.661 -0.382 414 H GLN 54 HN GLN 54 -4.275 6.386 -0.185 415 HA GLN 54 HA GLN 54 -2.724 8.138 1.509 416 1HB GLN 54 HB2 GLN 54 -5.394 8.356 0.090 417 2HB GLN 54 HB1 GLN 54 -4.630 9.718 0.911 418 1HG GLN 54 HG2 GLN 54 -2.705 9.609 -0.535 419 2HG GLN 54 HG1 GLN 54 -3.257 8.089 -1.241 420 1HE2 GLN 54 HE21 GLN 54 -2.810 10.869 -2.487 421 2HE2 GLN 54 HE22 GLN 54 -4.272 11.202 -3.283 422 H LEU 55 HN LEU 55 -5.908 6.571 1.877 423 HA LEU 55 HA LEU 55 -6.665 7.838 4.333 424 1HB LEU 55 HB2 LEU 55 -7.292 5.122 3.129 425 2HB LEU 55 HB1 LEU 55 -8.173 5.829 4.483 426 HG LEU 55 HG LEU 55 -7.859 7.198 1.800 427 1HD1 LEU 55 HD11 LEU 55 -9.281 4.912 2.138 428 2HD1 LEU 55 HD12 LEU 55 -9.764 6.195 1.029 429 3HD1 LEU 55 HD13 LEU 55 -10.488 6.099 2.635 430 1HD2 LEU 55 HD21 LEU 55 -8.315 8.718 3.655 431 2HD2 LEU 55 HD22 LEU 55 -9.637 7.691 4.210 432 3HD2 LEU 55 HD23 LEU 55 -9.772 8.551 2.676 433 H GLU 56 HN GLU 56 -4.853 4.855 3.663 434 HA GLU 56 HA GLU 56 -4.568 3.919 6.343 435 1HB GLU 56 HB2 GLU 56 -2.906 3.651 3.829 436 2HB GLU 56 HB1 GLU 56 -2.539 2.760 5.307 437 1HG GLU 56 HG2 GLU 56 -5.247 2.691 3.950 438 2HG GLU 56 HG1 GLU 56 -3.982 1.499 3.652 439 H ASN 57 HN ASN 57 -2.561 6.159 4.433 440 HA ASN 57 HA ASN 57 -0.410 6.415 6.311 441 1HB ASN 57 HB2 ASN 57 -0.542 7.120 3.871 442 2HB ASN 57 HB1 ASN 57 -1.485 8.512 4.403 443 1HD2 ASN 57 HD21 ASN 57 0.568 9.601 3.358 444 2HD2 ASN 57 HD22 ASN 57 1.866 9.906 4.409 445 H TYR 58 HN TYR 58 -3.424 8.280 5.917 446 HA TYR 58 HA TYR 58 -2.915 10.272 7.895 447 1HB TYR 58 HB2 TYR 58 -5.386 9.031 6.698 448 2HB TYR 58 HB1 TYR 58 -5.487 10.332 7.882 449 HD1 TYR 58 HD1 TYR 58 -3.528 12.233 7.354 450 HD2 TYR 58 HD2 TYR 58 -5.565 9.760 4.493 451 HE1 TYR 58 HE1 TYR 58 -3.040 13.890 5.575 452 HE2 TYR 58 HE2 TYR 58 -5.076 11.417 2.713 453 HH TYR 58 HH TYR 58 -3.189 13.260 2.388 454 H CYS 59 HN CYS 59 -4.444 7.051 8.220 455 HA CYS 59 HA CYS 59 -4.929 7.494 11.100 456 1HB CYS 59 HB2 CYS 59 -6.514 6.320 9.559 457 2HB CYS 59 HB1 CYS 59 -5.313 5.047 9.346 458 H ASN 60 HN ASN 60 -2.209 6.620 9.342 459 HA ASN 60 HA ASN 60 -1.220 4.376 10.883 460 1HB ASN 60 HB2 ASN 60 -0.125 6.438 8.996 461 2HB ASN 60 HB1 ASN 60 1.007 5.440 9.907 462 1HD2 ASN 60 HD21 ASN 60 0.898 5.143 7.107 463 2HD2 ASN 60 HD22 ASN 60 0.198 3.646 6.723 Start of MODEL 8 1 1H PHE 1 HT1 PHE 1 -18.095 -3.599 -2.883 2 2H PHE 1 HT2 PHE 1 -17.777 -4.860 -3.977 3 3H PHE 1 HT3 PHE 1 -19.261 -4.033 -4.035 4 HA PHE 1 HA PHE 1 -16.580 -2.964 -4.753 5 1HB PHE 1 HB2 PHE 1 -17.797 -4.468 -6.332 6 2HB PHE 1 HB1 PHE 1 -19.179 -3.374 -6.268 7 HD1 PHE 1 HD1 PHE 1 -15.660 -3.736 -7.345 8 HD2 PHE 1 HD2 PHE 1 -19.155 -1.241 -7.402 9 HE1 PHE 1 HE1 PHE 1 -14.623 -2.326 -9.101 10 HE2 PHE 1 HE2 PHE 1 -18.118 0.171 -9.158 11 HZ PHE 1 HZ PHE 1 -15.852 -0.372 -10.007 12 H VAL 2 HN VAL 2 -16.394 -0.856 -4.100 13 HA VAL 2 HA VAL 2 -18.823 0.849 -4.098 14 HB VAL 2 HB VAL 2 -17.877 1.879 -2.049 15 1HG1 VAL 2 HG11 VAL 2 -18.431 0.076 -0.553 16 2HG1 VAL 2 HG12 VAL 2 -18.033 -1.130 -1.778 17 3HG1 VAL 2 HG13 VAL 2 -19.451 -0.100 -1.982 18 1HG2 VAL 2 HG21 VAL 2 -15.853 -0.373 -2.142 19 2HG2 VAL 2 HG22 VAL 2 -15.941 0.932 -0.959 20 3HG2 VAL 2 HG23 VAL 2 -15.486 1.283 -2.627 21 H ASN 3 HN ASN 3 -18.370 3.147 -4.369 22 HA ASN 3 HA ASN 3 -15.706 4.023 -5.240 23 1HB ASN 3 HB2 ASN 3 -18.014 3.456 -7.090 24 2HB ASN 3 HB1 ASN 3 -16.889 4.754 -7.486 25 1HD2 ASN 3 HD21 ASN 3 -14.420 3.860 -6.939 26 2HD2 ASN 3 HD22 ASN 3 -14.080 2.382 -7.703 27 H GLN 4 HN GLN 4 -17.508 4.766 -3.164 28 HA GLN 4 HA GLN 4 -18.965 7.187 -3.951 29 1HB GLN 4 HB2 GLN 4 -18.214 6.095 -1.223 30 2HB GLN 4 HB1 GLN 4 -19.472 7.276 -1.555 31 1HG GLN 4 HG2 GLN 4 -19.489 4.488 -2.738 32 2HG GLN 4 HG1 GLN 4 -20.298 4.896 -1.225 33 1HE2 GLN 4 HE21 GLN 4 -21.505 7.301 -1.685 34 2HE2 GLN 4 HE22 GLN 4 -22.567 7.216 -3.006 35 H HIS 5 HN HIS 5 -18.442 9.298 -3.091 36 HA HIS 5 HA HIS 5 -15.579 9.925 -3.163 37 1HB HIS 5 HB2 HIS 5 -18.166 11.463 -2.860 38 2HB HIS 5 HB1 HIS 5 -16.600 12.264 -2.744 39 HD1 HIS 5 HD1 HIS 5 -15.040 12.118 -4.899 40 HD2 HIS 5 HD2 HIS 5 -18.968 10.846 -5.474 41 HE1 HIS 5 HE1 HIS 5 -15.408 12.041 -7.403 42 H LEU 6 HN LEU 6 -14.291 10.131 -1.354 43 HA LEU 6 HA LEU 6 -15.342 9.594 1.290 44 1HB LEU 6 HB2 LEU 6 -12.696 10.322 0.060 45 2HB LEU 6 HB1 LEU 6 -12.868 10.300 1.815 46 HG LEU 6 HG LEU 6 -13.801 7.967 0.154 47 1HD1 LEU 6 HD11 LEU 6 -11.002 8.702 0.974 48 2HD1 LEU 6 HD12 LEU 6 -11.567 8.007 -0.545 49 3HD1 LEU 6 HD13 LEU 6 -11.480 7.006 0.904 50 1HD2 LEU 6 HD21 LEU 6 -12.964 8.438 3.024 51 2HD2 LEU 6 HD22 LEU 6 -13.143 6.818 2.351 52 3HD2 LEU 6 HD23 LEU 6 -14.534 7.899 2.428 53 H CYS 7 HN CYS 7 -16.934 11.489 1.009 54 HA CYS 7 HA CYS 7 -15.820 13.876 2.381 55 1HB CYS 7 HB2 CYS 7 -16.403 13.679 -0.429 56 2HB CYS 7 HB1 CYS 7 -17.603 14.745 0.294 57 H GLY 8 HN GLY 8 -17.891 15.442 2.670 58 1HA GLY 8 HA2 GLY 8 -19.920 15.713 3.804 59 2HA GLY 8 HA1 GLY 8 -20.526 14.475 2.700 60 H SER 9 HN SER 9 -21.712 13.191 4.138 61 HA SER 9 HA SER 9 -20.792 12.548 6.823 62 1HB SER 9 HB2 SER 9 -22.953 11.370 5.051 63 2HB SER 9 HB1 SER 9 -22.806 11.098 6.785 64 HG SER 9 HG SER 9 -23.224 13.567 5.442 65 H HIS 10 HN HIS 10 -20.548 10.979 3.678 66 HA HIS 10 HA HIS 10 -19.933 8.322 4.507 67 1HB HIS 10 HB2 HIS 10 -20.501 9.061 2.207 68 2HB HIS 10 HB1 HIS 10 -18.951 9.896 2.103 69 HD1 HIS 10 HD1 HIS 10 -20.177 6.362 2.899 70 HD2 HIS 10 HD2 HIS 10 -16.983 8.284 1.032 71 HE1 HIS 10 HE1 HIS 10 -18.689 4.537 1.967 72 H LEU 11 HN LEU 11 -17.840 11.170 4.118 73 HA LEU 11 HA LEU 11 -15.303 9.893 4.335 74 1HB LEU 11 HB2 LEU 11 -15.706 12.220 3.649 75 2HB LEU 11 HB1 LEU 11 -16.255 12.618 5.269 76 HG LEU 11 HG LEU 11 -13.827 13.225 4.614 77 1HD1 LEU 11 HD11 LEU 11 -13.333 13.310 6.836 78 2HD1 LEU 11 HD12 LEU 11 -13.732 11.612 7.098 79 3HD1 LEU 11 HD13 LEU 11 -15.018 12.815 6.995 80 1HD2 LEU 11 HD21 LEU 11 -13.410 10.287 5.246 81 2HD2 LEU 11 HD22 LEU 11 -12.150 11.478 4.923 82 3HD2 LEU 11 HD23 LEU 11 -13.259 10.999 3.639 83 H VAL 12 HN VAL 12 -17.462 11.149 6.899 84 HA VAL 12 HA VAL 12 -15.702 10.589 9.106 85 HB VAL 12 HB VAL 12 -18.729 10.750 8.880 86 1HG1 VAL 12 HG11 VAL 12 -18.452 9.835 11.000 87 2HG1 VAL 12 HG12 VAL 12 -18.311 11.555 11.366 88 3HG1 VAL 12 HG13 VAL 12 -16.860 10.562 11.218 89 1HG2 VAL 12 HG21 VAL 12 -18.525 13.052 9.168 90 2HG2 VAL 12 HG22 VAL 12 -17.093 12.711 8.196 91 3HG2 VAL 12 HG23 VAL 12 -16.945 12.917 9.941 92 H GLU 13 HN GLU 13 -18.414 8.738 7.704 93 HA GLU 13 HA GLU 13 -18.266 6.461 9.395 94 1HB GLU 13 HB2 GLU 13 -19.135 6.872 6.520 95 2HB GLU 13 HB1 GLU 13 -19.405 5.365 7.393 96 1HG GLU 13 HG2 GLU 13 -20.401 8.090 8.282 97 2HG GLU 13 HG1 GLU 13 -21.387 6.861 7.490 98 H ALA 14 HN ALA 14 -16.611 7.226 6.357 99 HA ALA 14 HA ALA 14 -15.333 4.740 5.889 100 1HB ALA 14 HB1 ALA 14 -13.764 6.176 4.554 101 2HB ALA 14 HB2 ALA 14 -14.509 7.595 5.289 102 3HB ALA 14 HB3 ALA 14 -15.463 6.537 4.250 103 H LEU 15 HN LEU 15 -14.189 7.584 7.745 104 HA LEU 15 HA LEU 15 -11.597 6.596 8.387 105 1HB LEU 15 HB2 LEU 15 -13.518 8.460 9.802 106 2HB LEU 15 HB1 LEU 15 -11.851 8.223 10.329 107 HG LEU 15 HG LEU 15 -12.630 9.070 7.525 108 1HD1 LEU 15 HD11 LEU 15 -13.269 10.853 9.013 109 2HD1 LEU 15 HD12 LEU 15 -11.730 11.313 8.284 110 3HD1 LEU 15 HD13 LEU 15 -11.773 10.694 9.934 111 1HD2 LEU 15 HD21 LEU 15 -9.971 9.805 8.359 112 2HD2 LEU 15 HD22 LEU 15 -10.449 8.727 7.050 113 3HD2 LEU 15 HD23 LEU 15 -10.204 8.085 8.673 114 H TYR 16 HN TYR 16 -14.706 6.197 10.117 115 HA TYR 16 HA TYR 16 -13.580 4.739 12.345 116 1HB TYR 16 HB2 TYR 16 -16.336 5.017 11.128 117 2HB TYR 16 HB1 TYR 16 -16.048 4.047 12.573 118 HD1 TYR 16 HD1 TYR 16 -14.363 5.341 14.311 119 HD2 TYR 16 HD2 TYR 16 -17.074 7.188 11.538 120 HE1 TYR 16 HE1 TYR 16 -14.396 7.388 15.709 121 HE2 TYR 16 HE2 TYR 16 -17.106 9.237 12.937 122 HH TYR 16 HH TYR 16 -16.624 9.632 15.627 123 H LEU 17 HN LEU 17 -15.019 3.724 9.248 124 HA LEU 17 HA LEU 17 -14.997 0.917 9.759 125 1HB LEU 17 HB2 LEU 17 -14.968 2.609 7.285 126 2HB LEU 17 HB1 LEU 17 -15.120 0.857 7.218 127 HG LEU 17 HG LEU 17 -16.951 2.629 8.857 128 1HD1 LEU 17 HD11 LEU 17 -17.759 1.306 6.283 129 2HD1 LEU 17 HD12 LEU 17 -16.953 2.875 6.237 130 3HD1 LEU 17 HD13 LEU 17 -18.483 2.694 7.096 131 1HD2 LEU 17 HD21 LEU 17 -18.317 0.352 8.315 132 2HD2 LEU 17 HD22 LEU 17 -17.296 0.538 9.741 133 3HD2 LEU 17 HD23 LEU 17 -16.671 -0.282 8.311 134 H VAL 18 HN VAL 18 -12.608 2.988 8.062 135 HA VAL 18 HA VAL 18 -10.787 0.789 7.538 136 HB VAL 18 HB VAL 18 -10.448 3.782 7.517 137 1HG1 VAL 18 HG11 VAL 18 -8.348 2.170 7.555 138 2HG1 VAL 18 HG12 VAL 18 -8.404 3.523 6.429 139 3HG1 VAL 18 HG13 VAL 18 -8.798 1.897 5.873 140 1HG2 VAL 18 HG21 VAL 18 -10.943 3.644 5.163 141 2HG2 VAL 18 HG22 VAL 18 -12.219 2.773 6.014 142 3HG2 VAL 18 HG23 VAL 18 -10.925 1.881 5.214 143 H CYS 19 HN CYS 19 -10.501 3.616 9.709 144 HA CYS 19 HA CYS 19 -8.224 2.515 11.131 145 1HB CYS 19 HB2 CYS 19 -10.138 4.747 11.803 146 2HB CYS 19 HB1 CYS 19 -8.568 4.500 12.555 147 H GLY 20 HN GLY 20 -11.573 3.188 12.204 148 1HA GLY 20 HA2 GLY 20 -12.909 2.138 13.807 149 2HA GLY 20 HA1 GLY 20 -12.017 0.673 13.412 150 H GLU 21 HN GLU 21 -10.293 3.468 14.635 151 HA GLU 21 HA GLU 21 -10.093 2.154 17.300 152 1HB GLU 21 HB2 GLU 21 -7.923 3.182 15.459 153 2HB GLU 21 HB1 GLU 21 -7.632 2.796 17.155 154 1HG GLU 21 HG2 GLU 21 -8.421 0.489 16.773 155 2HG GLU 21 HG1 GLU 21 -8.714 0.867 15.078 156 H ARG 22 HN ARG 22 -9.553 3.651 19.054 157 HA ARG 22 HA ARG 22 -10.373 6.444 18.479 158 1HB ARG 22 HB2 ARG 22 -10.233 4.743 20.974 159 2HB ARG 22 HB1 ARG 22 -10.676 6.449 20.996 160 1HG ARG 22 HG2 ARG 22 -12.555 5.976 19.461 161 2HG ARG 22 HG1 ARG 22 -12.120 4.265 19.466 162 1HD ARG 22 HD2 ARG 22 -12.371 4.341 22.015 163 2HD ARG 22 HD1 ARG 22 -13.137 5.925 21.788 164 HE ARG 22 HE ARG 22 -14.145 3.446 20.440 165 1HH1 ARG 22 HH11 ARG 22 -15.313 4.466 23.090 166 2HH1 ARG 22 HH12 ARG 22 -16.702 5.327 22.519 167 1HH2 ARG 22 HH21 ARG 22 -15.617 5.426 19.227 168 2HH2 ARG 22 HH22 ARG 22 -16.875 5.871 20.331 169 H GLY 23 HN GLY 23 -7.508 4.733 18.849 170 1HA GLY 23 HA2 GLY 23 -6.017 6.263 20.705 171 2HA GLY 23 HA1 GLY 23 -5.320 5.367 19.360 172 H PHE 24 HN PHE 24 -6.429 6.769 17.178 173 HA PHE 24 HA PHE 24 -4.721 9.137 17.213 174 1HB PHE 24 HB2 PHE 24 -5.245 9.224 14.849 175 2HB PHE 24 HB1 PHE 24 -4.984 7.543 15.299 176 HD1 PHE 24 HD1 PHE 24 -7.491 10.062 14.308 177 HD2 PHE 24 HD2 PHE 24 -6.835 5.944 15.343 178 HE1 PHE 24 HE1 PHE 24 -9.733 9.480 13.414 179 HE2 PHE 24 HE2 PHE 24 -9.075 5.367 14.453 180 HZ PHE 24 HZ PHE 24 -10.523 7.133 13.489 181 H PHE 25 HN PHE 25 -5.323 11.186 17.651 182 HA PHE 25 HA PHE 25 -8.099 11.855 18.262 183 1HB PHE 25 HB2 PHE 25 -5.560 13.511 18.126 184 2HB PHE 25 HB1 PHE 25 -7.081 14.040 18.840 185 HD1 PHE 25 HD1 PHE 25 -8.056 12.610 20.763 186 HD2 PHE 25 HD2 PHE 25 -3.990 12.337 19.409 187 HE1 PHE 25 HE1 PHE 25 -7.408 11.569 22.919 188 HE2 PHE 25 HE2 PHE 25 -3.341 11.294 21.563 189 HZ PHE 25 HZ PHE 25 -5.051 10.910 23.318 190 H TYR 26 HN TYR 26 -5.849 12.230 15.601 191 HA TYR 26 HA TYR 26 -6.094 13.142 13.449 192 1HB TYR 26 HB2 TYR 26 -8.453 11.890 14.056 193 2HB TYR 26 HB1 TYR 26 -9.022 13.534 13.762 194 HD1 TYR 26 HD1 TYR 26 -8.570 10.513 12.176 195 HD2 TYR 26 HD2 TYR 26 -7.582 14.662 11.681 196 HE1 TYR 26 HE1 TYR 26 -8.326 10.163 9.732 197 HE2 TYR 26 HE2 TYR 26 -7.335 14.319 9.242 198 HH TYR 26 HH TYR 26 -8.396 12.490 7.527 199 H THR 27 HN THR 27 -5.051 14.999 14.762 200 HA THR 27 HA THR 27 -6.631 17.450 14.321 201 HB THR 27 HB THR 27 -5.362 16.643 16.952 202 HG1 THR 27 HG1 THR 27 -8.094 17.008 16.306 203 1HG2 THR 27 HG21 THR 27 -5.470 19.143 16.226 204 2HG2 THR 27 HG22 THR 27 -6.051 18.700 17.831 205 3HG2 THR 27 HG23 THR 27 -7.201 18.982 16.523 206 HA PRO 28 HA PRO 28 -2.444 18.494 13.035 207 1HB PRO 28 HB2 PRO 28 -2.928 21.092 12.312 208 2HB PRO 28 HB1 PRO 28 -3.364 19.708 11.290 209 1HG PRO 28 HG2 PRO 28 -5.078 21.329 13.109 210 2HG PRO 28 HG1 PRO 28 -5.436 20.685 11.498 211 1HD PRO 28 HD2 PRO 28 -6.339 19.528 13.778 212 2HD PRO 28 HD1 PRO 28 -5.976 18.606 12.303 213 H LYS 29 HN LYS 29 -0.818 20.249 13.721 214 HA LYS 29 HA LYS 29 -0.870 20.613 16.571 215 1HB LYS 29 HB2 LYS 29 0.860 21.591 14.303 216 2HB LYS 29 HB1 LYS 29 1.204 22.019 15.980 217 1HG LYS 29 HG2 LYS 29 0.774 19.151 15.147 218 2HG LYS 29 HG1 LYS 29 2.364 19.912 15.048 219 1HD LYS 29 HD2 LYS 29 2.291 20.457 17.429 220 2HD LYS 29 HD1 LYS 29 0.662 19.793 17.555 221 1HE LYS 29 HE2 LYS 29 1.402 17.586 17.365 222 2HE LYS 29 HE1 LYS 29 2.883 18.053 16.505 223 1HZ LYS 29 HZ1 LYS 29 3.778 19.007 18.457 224 2HZ LYS 29 HZ2 LYS 29 3.188 17.483 18.921 225 3HZ LYS 29 HZ3 LYS 29 2.307 18.887 19.293 226 H THR 30 HN THR 30 -1.262 22.954 13.884 227 HA THR 30 HA THR 30 -2.899 24.672 15.593 228 HB THR 30 HB THR 30 -0.626 25.258 16.292 229 HG1 THR 30 HG1 THR 30 -2.107 26.960 16.086 230 1HG2 THR 30 HG21 THR 30 0.156 24.576 13.784 231 2HG2 THR 30 HG22 THR 30 1.130 25.578 14.859 232 3HG2 THR 30 HG23 THR 30 0.119 26.331 13.626 233 H ARG 31 HN ARG 31 -2.894 23.274 12.865 234 HA ARG 31 HA ARG 31 -3.010 25.454 10.928 235 1HB ARG 31 HB2 ARG 31 -3.615 22.487 10.895 236 2HB ARG 31 HB1 ARG 31 -3.722 23.508 9.460 237 1HG ARG 31 HG2 ARG 31 -1.358 24.144 9.720 238 2HG ARG 31 HG1 ARG 31 -1.241 23.149 11.171 239 1HD ARG 31 HD2 ARG 31 -1.876 21.147 9.774 240 2HD ARG 31 HD1 ARG 31 -1.762 22.184 8.337 241 HE ARG 31 HE ARG 31 0.571 22.245 10.144 242 1HH1 ARG 31 HH21 ARG 31 0.161 22.787 7.063 243 2HH1 ARG 31 HH22 ARG 31 1.151 21.518 6.425 244 1HH2 ARG 31 HH11 ARG 31 1.385 19.823 9.441 245 2HH2 ARG 31 HH12 ARG 31 1.844 19.839 7.770 246 H ARG 32 HN ARG 32 -4.837 26.643 10.528 247 HA ARG 32 HA ARG 32 -7.084 27.348 10.578 248 1HB ARG 32 HB2 ARG 32 -7.285 24.347 10.233 249 2HB ARG 32 HB1 ARG 32 -8.677 25.421 10.092 250 1HG ARG 32 HG2 ARG 32 -7.526 26.685 8.313 251 2HG ARG 32 HG1 ARG 32 -6.134 25.610 8.451 252 1HD ARG 32 HD2 ARG 32 -7.671 23.675 7.905 253 2HD ARG 32 HD1 ARG 32 -8.936 24.868 7.549 254 HE ARG 32 HE ARG 32 -6.286 25.111 6.201 255 1HH1 ARG 32 HH21 ARG 32 -9.235 26.401 5.937 256 2HH1 ARG 32 HH22 ARG 32 -9.590 25.859 4.331 257 1HH2 ARG 32 HH11 ARG 32 -6.928 23.640 4.209 258 2HH2 ARG 32 HH12 ARG 32 -8.284 24.295 3.353 259 H TYR 33 HN TYR 33 -6.065 27.317 13.156 260 HA TYR 33 HA TYR 33 -7.722 25.722 14.962 261 1HB TYR 33 HB2 TYR 33 -5.426 27.493 15.036 262 2HB TYR 33 HB1 TYR 33 -6.565 27.918 16.309 263 HD1 TYR 33 HD1 TYR 33 -5.404 24.705 14.739 264 HD2 TYR 33 HD2 TYR 33 -6.061 26.938 18.349 265 HE1 TYR 33 HE1 TYR 33 -4.643 22.763 16.080 266 HE2 TYR 33 HE2 TYR 33 -5.300 24.996 19.690 267 HH TYR 33 HH TYR 33 -3.595 22.473 18.460 268 HA PRO 34 HA PRO 34 -9.964 29.855 15.726 269 1HB PRO 34 HB2 PRO 34 -9.361 32.033 14.187 270 2HB PRO 34 HB1 PRO 34 -8.511 31.653 15.698 271 1HG PRO 34 HG2 PRO 34 -7.658 31.231 12.888 272 2HG PRO 34 HG1 PRO 34 -6.698 31.666 14.309 273 1HD PRO 34 HD2 PRO 34 -6.817 29.145 13.217 274 2HD PRO 34 HD1 PRO 34 -6.363 29.498 14.897 275 H GLY 35 HN GLY 35 -11.173 28.116 14.360 276 1HA GLY 35 HA2 GLY 35 -13.190 29.037 12.830 277 2HA GLY 35 HA1 GLY 35 -11.893 28.984 11.633 278 H ASP 36 HN ASP 36 -14.241 27.140 13.297 279 HA ASP 36 HA ASP 36 -13.010 24.518 12.892 280 1HB ASP 36 HB2 ASP 36 -14.637 25.198 14.699 281 2HB ASP 36 HB1 ASP 36 -15.871 25.263 13.451 282 H VAL 37 HN VAL 37 -12.701 24.007 10.718 283 HA VAL 37 HA VAL 37 -15.077 23.712 9.028 284 HB VAL 37 HB VAL 37 -13.940 25.003 7.217 285 1HG1 VAL 37 HG11 VAL 37 -15.598 26.011 8.878 286 2HG1 VAL 37 HG12 VAL 37 -14.564 27.149 8.015 287 3HG1 VAL 37 HG13 VAL 37 -14.195 26.712 9.683 288 1HG2 VAL 37 HG21 VAL 37 -11.955 25.545 9.429 289 2HG2 VAL 37 HG22 VAL 37 -12.074 26.550 7.985 290 3HG2 VAL 37 HG23 VAL 37 -11.634 24.849 7.841 291 H LYS 38 HN LYS 38 -13.689 23.159 6.630 292 HA LYS 38 HA LYS 38 -12.646 20.492 7.177 293 1HB LYS 38 HB2 LYS 38 -12.864 22.240 4.709 294 2HB LYS 38 HB1 LYS 38 -12.313 20.567 4.665 295 1HG LYS 38 HG2 LYS 38 -14.453 19.833 5.650 296 2HG LYS 38 HG1 LYS 38 -15.007 21.509 5.690 297 1HD LYS 38 HD2 LYS 38 -14.761 21.652 3.238 298 2HD LYS 38 HD1 LYS 38 -14.213 19.977 3.196 299 1HE LYS 38 HE2 LYS 38 -16.386 19.236 4.125 300 2HE LYS 38 HE1 LYS 38 -16.943 20.922 4.144 301 1HZ LYS 38 HZ1 LYS 38 -17.504 19.600 2.078 302 2HZ LYS 38 HZ2 LYS 38 -15.847 19.637 1.705 303 3HZ LYS 38 HZ3 LYS 38 -16.728 21.086 1.822 304 H ARG 39 HN ARG 39 -10.496 19.825 7.115 305 HA ARG 39 HA ARG 39 -8.401 21.754 7.549 306 1HB ARG 39 HB2 ARG 39 -8.446 18.780 6.955 307 2HB ARG 39 HB1 ARG 39 -6.983 19.658 7.406 308 1HG ARG 39 HG2 ARG 39 -8.053 20.358 9.518 309 2HG ARG 39 HG1 ARG 39 -9.510 19.469 9.070 310 1HD ARG 39 HD2 ARG 39 -8.137 17.367 8.958 311 2HD ARG 39 HD1 ARG 39 -6.758 18.292 9.588 312 HE ARG 39 HE ARG 39 -7.834 18.367 11.696 313 1HH1 ARG 39 HH11 ARG 39 -9.218 15.819 10.621 314 2HH1 ARG 39 HH12 ARG 39 -10.862 16.157 11.050 315 1HH2 ARG 39 HH21 ARG 39 -10.291 19.527 11.639 316 2HH2 ARG 39 HH22 ARG 39 -11.470 18.259 11.627 317 H GLY 40 HN GLY 40 -9.432 19.774 4.814 318 1HA GLY 40 HA2 GLY 40 -9.057 21.107 2.600 319 2HA GLY 40 HA1 GLY 40 -7.360 21.035 3.086 320 H ILE 41 HN ILE 41 -7.672 18.356 4.293 321 HA ILE 41 HA ILE 41 -7.081 16.744 1.963 322 HB ILE 41 HB ILE 41 -7.710 16.033 4.851 323 1HG1 ILE 41 HG12 ILE 41 -5.030 16.372 3.477 324 2HG1 ILE 41 HG11 ILE 41 -5.808 17.650 4.411 325 1HG2 ILE 41 HG21 ILE 41 -6.485 14.469 2.568 326 2HG2 ILE 41 HG22 ILE 41 -7.868 14.023 3.567 327 3HG2 ILE 41 HG23 ILE 41 -6.245 14.018 4.256 328 1HD1 ILE 41 HD11 ILE 41 -4.947 14.925 5.426 329 2HD1 ILE 41 HD12 ILE 41 -5.899 16.072 6.368 330 3HD1 ILE 41 HD13 ILE 41 -4.258 16.486 5.871 331 H VAL 42 HN VAL 42 -9.897 17.049 4.119 332 HA VAL 42 HA VAL 42 -11.497 14.982 2.912 333 HB VAL 42 HB VAL 42 -12.106 17.504 4.452 334 1HG1 VAL 42 HG11 VAL 42 -13.966 15.284 3.581 335 2HG1 VAL 42 HG12 VAL 42 -14.129 17.009 3.251 336 3HG1 VAL 42 HG13 VAL 42 -14.348 16.401 4.892 337 1HG2 VAL 42 HG21 VAL 42 -10.818 15.522 5.474 338 2HG2 VAL 42 HG22 VAL 42 -12.345 14.646 5.375 339 3HG2 VAL 42 HG23 VAL 42 -12.228 16.105 6.359 340 H GLU 43 HN GLU 43 -11.075 18.428 2.338 341 HA GLU 43 HA GLU 43 -13.030 18.850 0.318 342 1HB GLU 43 HB2 GLU 43 -11.795 20.605 1.546 343 2HB GLU 43 HB1 GLU 43 -10.298 20.100 0.764 344 1HG GLU 43 HG2 GLU 43 -11.140 20.732 -1.408 345 2HG GLU 43 HG1 GLU 43 -12.741 21.056 -0.747 346 H GLN 44 HN GLN 44 -9.702 17.662 0.173 347 HA GLN 44 HA GLN 44 -9.292 17.697 -2.642 348 1HB GLN 44 HB2 GLN 44 -7.580 17.308 -0.889 349 2HB GLN 44 HB1 GLN 44 -8.312 15.744 -0.533 350 1HG GLN 44 HG2 GLN 44 -7.875 15.024 -2.866 351 2HG GLN 44 HG1 GLN 44 -7.097 16.574 -3.184 352 1HE2 GLN 44 HE21 GLN 44 -6.750 13.503 -1.455 353 2HE2 GLN 44 HE22 GLN 44 -5.115 13.711 -1.052 354 H CYS 45 HN CYS 45 -10.783 15.205 -0.556 355 HA CYS 45 HA CYS 45 -11.160 13.306 -2.737 356 1HB CYS 45 HB2 CYS 45 -12.356 13.524 0.044 357 2HB CYS 45 HB1 CYS 45 -12.457 12.100 -0.987 358 H CYS 46 HN CYS 46 -12.902 16.112 -1.698 359 HA CYS 46 HA CYS 46 -15.573 15.286 -2.442 360 1HB CYS 46 HB2 CYS 46 -14.107 17.713 -1.647 361 2HB CYS 46 HB1 CYS 46 -15.455 18.031 -2.734 362 H THR 47 HN THR 47 -12.939 16.925 -4.211 363 HA THR 47 HA THR 47 -14.509 17.387 -6.617 364 HB THR 47 HB THR 47 -12.188 17.884 -7.519 365 HG1 THR 47 HG1 THR 47 -10.768 16.756 -6.433 366 1HG2 THR 47 HG21 THR 47 -13.606 19.180 -5.323 367 2HG2 THR 47 HG22 THR 47 -12.816 19.898 -6.726 368 3HG2 THR 47 HG23 THR 47 -11.876 19.520 -5.284 369 H SER 48 HN SER 48 -12.067 14.942 -5.689 370 HA SER 48 HA SER 48 -12.950 13.297 -8.042 371 1HB SER 48 HB2 SER 48 -10.625 12.662 -8.319 372 2HB SER 48 HB1 SER 48 -10.691 14.419 -8.213 373 HG SER 48 HG SER 48 -9.089 13.243 -6.860 374 H ILE 49 HN ILE 49 -11.251 11.072 -7.227 375 HA ILE 49 HA ILE 49 -12.671 10.224 -4.722 376 HB ILE 49 HB ILE 49 -11.851 8.627 -7.173 377 1HG1 ILE 49 HG12 ILE 49 -14.621 9.303 -6.144 378 2HG1 ILE 49 HG11 ILE 49 -13.805 10.221 -7.410 379 1HG2 ILE 49 HG21 ILE 49 -11.810 7.412 -4.933 380 2HG2 ILE 49 HG22 ILE 49 -12.901 6.734 -6.142 381 3HG2 ILE 49 HG23 ILE 49 -13.543 7.723 -4.830 382 1HD1 ILE 49 HD11 ILE 49 -14.371 7.243 -7.529 383 2HD1 ILE 49 HD12 ILE 49 -13.654 8.221 -8.810 384 3HD1 ILE 49 HD13 ILE 49 -15.333 8.481 -8.335 385 H CYS 50 HN CYS 50 -11.296 9.850 -3.068 386 HA CYS 50 HA CYS 50 -8.396 9.655 -3.506 387 1HB CYS 50 HB2 CYS 50 -10.218 9.603 -1.076 388 2HB CYS 50 HB1 CYS 50 -8.456 9.590 -0.976 389 H SER 51 HN SER 51 -7.202 7.761 -3.369 390 HA SER 51 HA SER 51 -8.623 5.213 -3.521 391 1HB SER 51 HB2 SER 51 -6.368 4.368 -3.961 392 2HB SER 51 HB1 SER 51 -6.626 5.858 -4.862 393 HG SER 51 HG SER 51 -5.358 6.936 -3.460 394 H LEU 52 HN LEU 52 -8.070 3.365 -2.135 395 HA LEU 52 HA LEU 52 -8.410 3.795 0.637 396 1HB LEU 52 HB2 LEU 52 -8.842 1.712 -0.693 397 2HB LEU 52 HB1 LEU 52 -7.101 1.441 -0.760 398 HG LEU 52 HG LEU 52 -8.194 1.946 1.949 399 1HD1 LEU 52 HD11 LEU 52 -8.897 -0.512 2.076 400 2HD1 LEU 52 HD12 LEU 52 -8.925 -0.491 0.313 401 3HD1 LEU 52 HD13 LEU 52 -10.002 0.567 1.224 402 1HD2 LEU 52 HD21 LEU 52 -5.835 1.354 1.527 403 2HD2 LEU 52 HD22 LEU 52 -6.346 -0.149 0.758 404 3HD2 LEU 52 HD23 LEU 52 -6.630 0.101 2.481 405 H TYR 53 HN TYR 53 -5.472 3.553 -1.292 406 HA TYR 53 HA TYR 53 -3.543 3.167 0.763 407 1HB TYR 53 HB2 TYR 53 -3.146 2.975 -1.653 408 2HB TYR 53 HB1 TYR 53 -3.409 4.703 -1.826 409 HD1 TYR 53 HD1 TYR 53 -1.759 6.323 -1.102 410 HD2 TYR 53 HD2 TYR 53 -1.115 2.113 -0.547 411 HE1 TYR 53 HE1 TYR 53 0.627 6.758 -0.597 412 HE2 TYR 53 HE2 TYR 53 1.275 2.546 -0.040 413 HH TYR 53 HH TYR 53 2.551 5.842 0.225 414 H GLN 54 HN GLN 54 -5.011 6.147 -0.503 415 HA GLN 54 HA GLN 54 -3.412 8.000 1.008 416 1HB GLN 54 HB2 GLN 54 -6.188 8.091 -0.210 417 2HB GLN 54 HB1 GLN 54 -5.399 9.508 0.485 418 1HG GLN 54 HG2 GLN 54 -3.543 9.297 -1.084 419 2HG GLN 54 HG1 GLN 54 -4.223 7.805 -1.730 420 1HE2 GLN 54 HE21 GLN 54 -3.796 9.862 -3.543 421 2HE2 GLN 54 HE22 GLN 54 -5.273 10.555 -4.010 422 H LEU 55 HN LEU 55 -6.509 6.373 1.678 423 HA LEU 55 HA LEU 55 -7.202 7.707 4.100 424 1HB LEU 55 HB2 LEU 55 -7.643 4.883 3.078 425 2HB LEU 55 HB1 LEU 55 -8.466 5.541 4.491 426 HG LEU 55 HG LEU 55 -8.538 6.976 1.840 427 1HD1 LEU 55 HD11 LEU 55 -10.944 5.440 2.493 428 2HD1 LEU 55 HD12 LEU 55 -9.550 4.398 2.211 429 3HD1 LEU 55 HD13 LEU 55 -10.059 5.543 0.972 430 1HD2 LEU 55 HD21 LEU 55 -9.354 8.385 3.520 431 2HD2 LEU 55 HD22 LEU 55 -10.028 7.047 4.451 432 3HD2 LEU 55 HD23 LEU 55 -10.833 7.590 2.979 433 H GLU 56 HN GLU 56 -5.254 4.776 3.548 434 HA GLU 56 HA GLU 56 -4.722 4.090 6.262 435 1HB GLU 56 HB2 GLU 56 -3.189 3.743 3.671 436 2HB GLU 56 HB1 GLU 56 -2.709 2.965 5.180 437 1HG GLU 56 HG2 GLU 56 -4.878 1.834 5.319 438 2HG GLU 56 HG1 GLU 56 -5.421 2.653 3.856 439 H ASN 57 HN ASN 57 -2.976 6.255 4.028 440 HA ASN 57 HA ASN 57 -0.763 6.828 5.777 441 1HB ASN 57 HB2 ASN 57 -0.894 7.212 3.309 442 2HB ASN 57 HB1 ASN 57 -2.027 8.531 3.606 443 1HD2 ASN 57 HD21 ASN 57 1.347 7.499 4.120 444 2HD2 ASN 57 HD22 ASN 57 1.949 9.054 4.437 445 H TYR 58 HN TYR 58 -3.856 8.525 5.221 446 HA TYR 58 HA TYR 58 -3.387 10.720 6.999 447 1HB TYR 58 HB2 TYR 58 -5.880 9.308 6.029 448 2HB TYR 58 HB1 TYR 58 -5.918 10.795 6.971 449 HD1 TYR 58 HD1 TYR 58 -3.791 12.437 5.966 450 HD2 TYR 58 HD2 TYR 58 -6.358 9.763 3.793 451 HE1 TYR 58 HE1 TYR 58 -3.412 13.754 3.898 452 HE2 TYR 58 HE2 TYR 58 -5.977 11.079 1.726 453 HH TYR 58 HH TYR 58 -5.308 13.351 1.092 454 H CYS 59 HN CYS 59 -4.471 7.417 7.563 455 HA CYS 59 HA CYS 59 -5.278 7.973 10.344 456 1HB CYS 59 HB2 CYS 59 -6.312 6.340 8.625 457 2HB CYS 59 HB1 CYS 59 -4.944 5.291 8.995 458 H ASN 60 HN ASN 60 -2.297 7.513 8.839 459 HA ASN 60 HA ASN 60 -1.020 5.676 10.684 460 1HB ASN 60 HB2 ASN 60 -0.149 7.746 8.678 461 2HB ASN 60 HB1 ASN 60 1.046 6.979 9.720 462 1HD2 ASN 60 HD21 ASN 60 1.290 6.460 7.013 463 2HD2 ASN 60 HD22 ASN 60 0.793 4.875 6.662 Start of MODEL 9 1 1H PHE 1 HT1 PHE 1 -22.394 -4.723 -6.460 2 2H PHE 1 HT2 PHE 1 -22.757 -3.239 -7.202 3 3H PHE 1 HT3 PHE 1 -23.086 -3.470 -5.551 4 HA PHE 1 HA PHE 1 -20.757 -3.556 -5.018 5 1HB PHE 1 HB2 PHE 1 -20.352 -4.797 -7.210 6 2HB PHE 1 HB1 PHE 1 -20.345 -3.221 -8.003 7 HD1 PHE 1 HD1 PHE 1 -18.520 -5.513 -5.822 8 HD2 PHE 1 HD2 PHE 1 -18.602 -1.537 -7.446 9 HE1 PHE 1 HE1 PHE 1 -16.153 -5.194 -5.158 10 HE2 PHE 1 HE2 PHE 1 -16.233 -1.218 -6.782 11 HZ PHE 1 HZ PHE 1 -15.009 -3.047 -5.639 12 H VAL 2 HN VAL 2 -20.705 -1.535 -4.058 13 HA VAL 2 HA VAL 2 -20.900 0.845 -5.814 14 HB VAL 2 HB VAL 2 -22.173 1.886 -3.964 15 1HG1 VAL 2 HG11 VAL 2 -24.024 1.112 -4.982 16 2HG1 VAL 2 HG12 VAL 2 -23.864 -0.440 -4.163 17 3HG1 VAL 2 HG13 VAL 2 -23.060 -0.172 -5.709 18 1HG2 VAL 2 HG21 VAL 2 -21.102 0.435 -2.180 19 2HG2 VAL 2 HG22 VAL 2 -22.173 -0.866 -2.700 20 3HG2 VAL 2 HG23 VAL 2 -22.850 0.619 -2.030 21 H ASN 3 HN ASN 3 -19.810 2.750 -4.941 22 HA ASN 3 HA ASN 3 -17.938 2.407 -2.685 23 1HB ASN 3 HB2 ASN 3 -16.865 1.401 -4.737 24 2HB ASN 3 HB1 ASN 3 -16.976 2.983 -5.509 25 1HD2 ASN 3 HD21 ASN 3 -14.455 1.637 -4.909 26 2HD2 ASN 3 HD22 ASN 3 -13.627 2.597 -3.781 27 H GLN 4 HN GLN 4 -19.199 4.159 -1.860 28 HA GLN 4 HA GLN 4 -19.523 6.657 -3.336 29 1HB GLN 4 HB2 GLN 4 -19.920 5.921 -0.423 30 2HB GLN 4 HB1 GLN 4 -20.547 7.369 -1.204 31 1HG GLN 4 HG2 GLN 4 -21.880 5.991 -2.742 32 2HG GLN 4 HG1 GLN 4 -21.241 4.522 -1.998 33 1HE2 GLN 4 HE21 GLN 4 -22.744 3.653 -0.576 34 2HE2 GLN 4 HE22 GLN 4 -23.774 4.550 0.432 35 H HIS 5 HN HIS 5 -18.743 8.722 -2.432 36 HA HIS 5 HA HIS 5 -15.871 8.689 -1.938 37 1HB HIS 5 HB2 HIS 5 -17.976 10.878 -1.890 38 2HB HIS 5 HB1 HIS 5 -16.238 11.157 -1.888 39 HD1 HIS 5 HD1 HIS 5 -14.918 10.295 -4.066 40 HD2 HIS 5 HD2 HIS 5 -19.071 10.406 -4.406 41 HE1 HIS 5 HE1 HIS 5 -15.438 10.160 -6.541 42 H LEU 6 HN LEU 6 -14.883 9.692 -0.023 43 HA LEU 6 HA LEU 6 -16.274 8.990 2.466 44 1HB LEU 6 HB2 LEU 6 -13.494 9.939 1.723 45 2HB LEU 6 HB1 LEU 6 -13.978 9.576 3.379 46 HG LEU 6 HG LEU 6 -14.295 7.595 1.123 47 1HD1 LEU 6 HD11 LEU 6 -12.176 6.767 1.481 48 2HD1 LEU 6 HD12 LEU 6 -12.138 7.304 3.160 49 3HD1 LEU 6 HD13 LEU 6 -11.866 8.461 1.858 50 1HD2 LEU 6 HD21 LEU 6 -14.429 7.485 4.140 51 2HD2 LEU 6 HD22 LEU 6 -14.265 6.032 3.153 52 3HD2 LEU 6 HD23 LEU 6 -15.690 7.058 2.985 53 H CYS 7 HN CYS 7 -17.877 10.655 2.540 54 HA CYS 7 HA CYS 7 -16.861 13.328 3.387 55 1HB CYS 7 HB2 CYS 7 -18.613 12.614 1.040 56 2HB CYS 7 HB1 CYS 7 -18.768 14.191 1.808 57 H GLY 8 HN GLY 8 -19.074 14.668 3.866 58 1HA GLY 8 HA2 GLY 8 -20.853 14.889 5.378 59 2HA GLY 8 HA1 GLY 8 -21.490 13.450 4.572 60 H SER 9 HN SER 9 -22.230 12.315 6.409 61 HA SER 9 HA SER 9 -20.655 12.093 8.859 62 1HB SER 9 HB2 SER 9 -23.074 10.605 7.791 63 2HB SER 9 HB1 SER 9 -22.486 10.500 9.448 64 HG SER 9 HG SER 9 -23.000 12.608 9.764 65 H HIS 10 HN HIS 10 -20.893 10.286 5.878 66 HA HIS 10 HA HIS 10 -19.964 7.730 6.733 67 1HB HIS 10 HB2 HIS 10 -20.991 8.348 4.531 68 2HB HIS 10 HB1 HIS 10 -19.483 9.156 4.099 69 HD1 HIS 10 HD1 HIS 10 -20.247 5.752 5.657 70 HD2 HIS 10 HD2 HIS 10 -18.026 7.407 2.542 71 HE1 HIS 10 HE1 HIS 10 -19.012 3.833 4.561 72 H LEU 11 HN LEU 11 -18.185 10.674 5.817 73 HA LEU 11 HA LEU 11 -15.568 9.565 5.618 74 1HB LEU 11 HB2 LEU 11 -16.214 11.846 4.937 75 2HB LEU 11 HB1 LEU 11 -16.517 12.276 6.618 76 HG LEU 11 HG LEU 11 -14.134 11.863 7.152 77 1HD1 LEU 11 HD11 LEU 11 -12.528 11.493 5.316 78 2HD1 LEU 11 HD12 LEU 11 -13.863 11.392 4.170 79 3HD1 LEU 11 HD13 LEU 11 -13.682 10.164 5.421 80 1HD2 LEU 11 HD21 LEU 11 -15.054 14.098 6.243 81 2HD2 LEU 11 HD22 LEU 11 -14.261 13.661 4.729 82 3HD2 LEU 11 HD23 LEU 11 -13.305 13.869 6.197 83 H VAL 12 HN VAL 12 -17.373 10.743 8.466 84 HA VAL 12 HA VAL 12 -15.228 10.473 10.358 85 HB VAL 12 HB VAL 12 -18.254 10.380 10.597 86 1HG1 VAL 12 HG11 VAL 12 -17.484 11.266 13.007 87 2HG1 VAL 12 HG12 VAL 12 -16.090 10.246 12.649 88 3HG1 VAL 12 HG13 VAL 12 -17.710 9.548 12.677 89 1HG2 VAL 12 HG21 VAL 12 -16.348 12.634 11.259 90 2HG2 VAL 12 HG22 VAL 12 -18.101 12.715 11.084 91 3HG2 VAL 12 HG23 VAL 12 -17.084 12.454 9.667 92 H GLU 13 HN GLU 13 -17.955 8.277 9.572 93 HA GLU 13 HA GLU 13 -17.201 6.151 11.303 94 1HB GLU 13 HB2 GLU 13 -18.702 6.248 8.678 95 2HB GLU 13 HB1 GLU 13 -18.594 4.791 9.666 96 1HG GLU 13 HG2 GLU 13 -19.598 5.999 11.569 97 2HG GLU 13 HG1 GLU 13 -19.708 7.459 10.589 98 H ALA 14 HN ALA 14 -16.311 6.772 7.921 99 HA ALA 14 HA ALA 14 -14.896 4.367 7.410 100 1HB ALA 14 HB1 ALA 14 -15.513 5.787 5.611 101 2HB ALA 14 HB2 ALA 14 -13.754 5.896 5.680 102 3HB ALA 14 HB3 ALA 14 -14.746 7.189 6.355 103 H LEU 15 HN LEU 15 -13.620 7.536 8.498 104 HA LEU 15 HA LEU 15 -10.881 6.780 8.661 105 1HB LEU 15 HB2 LEU 15 -12.678 8.860 9.850 106 2HB LEU 15 HB1 LEU 15 -11.052 8.703 10.504 107 HG LEU 15 HG LEU 15 -11.400 10.374 8.568 108 1HD1 LEU 15 HD11 LEU 15 -9.285 8.217 8.522 109 2HD1 LEU 15 HD12 LEU 15 -9.187 9.812 9.268 110 3HD1 LEU 15 HD13 LEU 15 -9.207 9.660 7.512 111 1HD2 LEU 15 HD21 LEU 15 -11.163 7.896 6.844 112 2HD2 LEU 15 HD22 LEU 15 -11.456 9.556 6.327 113 3HD2 LEU 15 HD23 LEU 15 -12.716 8.663 7.172 114 H TYR 16 HN TYR 16 -13.391 6.764 11.232 115 HA TYR 16 HA TYR 16 -11.744 5.759 13.337 116 1HB TYR 16 HB2 TYR 16 -14.081 6.738 13.455 117 2HB TYR 16 HB1 TYR 16 -14.685 5.195 12.849 118 HD1 TYR 16 HD1 TYR 16 -14.345 3.103 14.182 119 HD2 TYR 16 HD2 TYR 16 -13.336 6.984 15.725 120 HE1 TYR 16 HE1 TYR 16 -14.260 2.169 16.479 121 HE2 TYR 16 HE2 TYR 16 -13.251 6.048 18.021 122 HH TYR 16 HH TYR 16 -14.582 3.572 19.050 123 H LEU 17 HN LEU 17 -13.899 4.001 11.085 124 HA LEU 17 HA LEU 17 -13.322 1.371 11.974 125 1HB LEU 17 HB2 LEU 17 -14.148 2.541 9.332 126 2HB LEU 17 HB1 LEU 17 -14.126 0.809 9.633 127 HG LEU 17 HG LEU 17 -15.635 2.756 11.390 128 1HD1 LEU 17 HD11 LEU 17 -17.576 1.471 10.001 129 2HD1 LEU 17 HD12 LEU 17 -16.329 1.566 8.757 130 3HD1 LEU 17 HD13 LEU 17 -16.927 3.039 9.520 131 1HD2 LEU 17 HD21 LEU 17 -16.821 0.700 12.077 132 2HD2 LEU 17 HD22 LEU 17 -15.086 0.536 12.348 133 3HD2 LEU 17 HD23 LEU 17 -15.838 -0.245 10.957 134 H VAL 18 HN VAL 18 -11.763 3.393 9.511 135 HA VAL 18 HA VAL 18 -9.897 1.398 8.589 136 HB VAL 18 HB VAL 18 -10.054 4.400 8.456 137 1HG1 VAL 18 HG11 VAL 18 -8.428 3.801 6.388 138 2HG1 VAL 18 HG12 VAL 18 -7.916 2.552 7.523 139 3HG1 VAL 18 HG13 VAL 18 -7.808 4.253 7.976 140 1HG2 VAL 18 HG21 VAL 18 -11.685 2.723 7.271 141 2HG2 VAL 18 HG22 VAL 18 -10.329 2.479 6.170 142 3HG2 VAL 18 HG23 VAL 18 -11.033 4.085 6.359 143 H CYS 19 HN CYS 19 -9.636 4.048 10.955 144 HA CYS 19 HA CYS 19 -6.845 3.603 11.548 145 1HB CYS 19 HB2 CYS 19 -9.128 5.065 12.815 146 2HB CYS 19 HB1 CYS 19 -7.539 5.044 13.574 147 H GLY 20 HN GLY 20 -9.845 2.634 13.247 148 1HA GLY 20 HA2 GLY 20 -10.203 1.010 14.899 149 2HA GLY 20 HA1 GLY 20 -8.805 0.183 14.215 150 H GLU 21 HN GLU 21 -8.465 3.437 15.439 151 HA GLU 21 HA GLU 21 -6.713 2.403 17.593 152 1HB GLU 21 HB2 GLU 21 -6.931 4.979 16.039 153 2HB GLU 21 HB1 GLU 21 -5.931 4.860 17.487 154 1HG GLU 21 HG2 GLU 21 -4.686 2.983 16.478 155 2HG GLU 21 HG1 GLU 21 -5.681 3.098 15.029 156 H ARG 22 HN ARG 22 -6.733 3.639 19.657 157 HA ARG 22 HA ARG 22 -9.374 4.820 20.318 158 1HB ARG 22 HB2 ARG 22 -9.212 2.515 21.130 159 2HB ARG 22 HB1 ARG 22 -7.652 2.860 21.871 160 1HG ARG 22 HG2 ARG 22 -9.311 2.931 23.622 161 2HG ARG 22 HG1 ARG 22 -8.814 4.591 23.301 162 1HD ARG 22 HD2 ARG 22 -10.820 5.076 22.103 163 2HD ARG 22 HD1 ARG 22 -11.236 3.357 21.961 164 HE ARG 22 HE ARG 22 -12.128 3.472 24.141 165 1HH1 ARG 22 HH21 ARG 22 -11.815 6.581 23.571 166 2HH1 ARG 22 HH22 ARG 22 -11.211 7.075 25.117 167 1HH2 ARG 22 HH11 ARG 22 -10.477 3.847 26.154 168 2HH2 ARG 22 HH12 ARG 22 -10.455 5.524 26.583 169 H GLY 23 HN GLY 23 -8.498 6.924 20.168 170 1HA GLY 23 HA2 GLY 23 -7.789 8.725 21.718 171 2HA GLY 23 HA1 GLY 23 -6.529 7.636 22.303 172 H PHE 24 HN PHE 24 -7.341 7.943 18.905 173 HA PHE 24 HA PHE 24 -4.583 8.547 18.208 174 1HB PHE 24 HB2 PHE 24 -5.513 8.518 15.902 175 2HB PHE 24 HB1 PHE 24 -6.037 7.119 16.834 176 HD1 PHE 24 HD1 PHE 24 -7.084 10.484 15.628 177 HD2 PHE 24 HD2 PHE 24 -8.356 6.730 17.281 178 HE1 PHE 24 HE1 PHE 24 -9.447 11.096 15.199 179 HE2 PHE 24 HE2 PHE 24 -10.720 7.346 16.860 180 HZ PHE 24 HZ PHE 24 -11.266 9.529 15.819 181 H PHE 25 HN PHE 25 -3.725 10.499 17.575 182 HA PHE 25 HA PHE 25 -5.240 12.925 18.210 183 1HB PHE 25 HB2 PHE 25 -2.964 13.995 17.463 184 2HB PHE 25 HB1 PHE 25 -3.042 13.108 18.977 185 HD1 PHE 25 HD1 PHE 25 -1.821 11.086 19.304 186 HD2 PHE 25 HD2 PHE 25 -1.942 12.922 15.421 187 HE1 PHE 25 HE1 PHE 25 -0.009 9.580 18.539 188 HE2 PHE 25 HE2 PHE 25 -0.126 11.412 14.655 189 HZ PHE 25 HZ PHE 25 0.839 9.741 16.216 190 H TYR 26 HN TYR 26 -3.779 11.464 15.323 191 HA TYR 26 HA TYR 26 -4.028 11.980 13.028 192 1HB TYR 26 HB2 TYR 26 -6.238 11.051 13.929 193 2HB TYR 26 HB1 TYR 26 -6.822 12.715 13.912 194 HD1 TYR 26 HD1 TYR 26 -5.180 10.154 11.734 195 HD2 TYR 26 HD2 TYR 26 -7.692 13.634 11.928 196 HE1 TYR 26 HE1 TYR 26 -5.638 9.958 9.305 197 HE2 TYR 26 HE2 TYR 26 -8.150 13.438 9.497 198 HH TYR 26 HH TYR 26 -7.431 10.666 7.713 199 H THR 27 HN THR 27 -3.281 14.337 14.816 200 HA THR 27 HA THR 27 -4.651 16.625 13.646 201 HB THR 27 HB THR 27 -3.829 16.546 15.976 202 HG1 THR 27 HG1 THR 27 -3.992 18.551 14.982 203 1HG2 THR 27 HG21 THR 27 -1.601 15.333 14.963 204 2HG2 THR 27 HG22 THR 27 -1.678 16.083 16.557 205 3HG2 THR 27 HG23 THR 27 -1.013 16.979 15.192 206 HA PRO 28 HA PRO 28 -1.577 16.580 10.341 207 1HB PRO 28 HB2 PRO 28 -3.129 17.845 8.477 208 2HB PRO 28 HB1 PRO 28 -3.295 16.123 8.863 209 1HG PRO 28 HG2 PRO 28 -5.098 18.326 9.464 210 2HG PRO 28 HG1 PRO 28 -5.391 16.585 9.523 211 1HD PRO 28 HD2 PRO 28 -4.810 18.401 11.704 212 2HD PRO 28 HD1 PRO 28 -5.294 16.692 11.772 213 H LYS 29 HN LYS 29 -0.776 18.469 8.823 214 HA LYS 29 HA LYS 29 -0.137 20.758 10.489 215 1HB LYS 29 HB2 LYS 29 0.451 20.056 7.599 216 2HB LYS 29 HB1 LYS 29 1.203 21.385 8.480 217 1HG LYS 29 HG2 LYS 29 1.335 18.477 9.327 218 2HG LYS 29 HG1 LYS 29 2.614 19.325 8.457 219 1HD LYS 29 HD2 LYS 29 2.503 21.060 10.370 220 2HD LYS 29 HD1 LYS 29 1.605 19.827 11.255 221 1HE LYS 29 HE2 LYS 29 3.881 19.469 11.876 222 2HE LYS 29 HE1 LYS 29 3.574 18.243 10.629 223 1HZ LYS 29 HZ1 LYS 29 4.516 19.618 8.973 224 2HZ LYS 29 HZ2 LYS 29 5.614 19.643 10.268 225 3HZ LYS 29 HZ3 LYS 29 4.578 20.963 10.004 226 H THR 30 HN THR 30 -2.766 21.006 10.391 227 HA THR 30 HA THR 30 -3.223 23.415 8.810 228 HB THR 30 HB THR 30 -5.126 21.099 8.440 229 HG1 THR 30 HG1 THR 30 -3.310 20.279 7.577 230 1HG2 THR 30 HG21 THR 30 -5.590 22.396 6.321 231 2HG2 THR 30 HG22 THR 30 -4.521 23.655 6.938 232 3HG2 THR 30 HG23 THR 30 -6.001 23.252 7.808 233 H ARG 31 HN ARG 31 -3.622 24.448 10.782 234 HA ARG 31 HA ARG 31 -6.198 23.830 12.081 235 1HB ARG 31 HB2 ARG 31 -3.482 23.889 13.421 236 2HB ARG 31 HB1 ARG 31 -4.990 24.013 14.323 237 1HG ARG 31 HG2 ARG 31 -4.294 21.703 12.484 238 2HG ARG 31 HG1 ARG 31 -4.083 21.684 14.229 239 1HD ARG 31 HD2 ARG 31 -6.523 22.151 14.507 240 2HD ARG 31 HD1 ARG 31 -6.712 22.029 12.748 241 HE ARG 31 HE ARG 31 -5.299 19.721 13.674 242 1HH1 ARG 31 HH21 ARG 31 -8.076 20.418 12.172 243 2HH1 ARG 31 HH22 ARG 31 -9.089 19.294 13.014 244 1HH2 ARG 31 HH11 ARG 31 -6.742 18.605 15.469 245 2HH2 ARG 31 HH12 ARG 31 -8.334 18.265 14.877 246 H ARG 32 HN ARG 32 -6.819 25.636 13.582 247 HA ARG 32 HA ARG 32 -7.154 27.927 14.003 248 1HB ARG 32 HB2 ARG 32 -4.770 27.561 14.784 249 2HB ARG 32 HB1 ARG 32 -4.228 28.123 13.205 250 1HG ARG 32 HG2 ARG 32 -5.324 30.289 13.571 251 2HG ARG 32 HG1 ARG 32 -5.941 29.729 15.124 252 1HD ARG 32 HD2 ARG 32 -2.978 29.716 14.513 253 2HD ARG 32 HD1 ARG 32 -3.786 31.143 15.193 254 HE ARG 32 HE ARG 32 -4.382 29.822 17.150 255 1HH1 ARG 32 HH21 ARG 32 -1.403 29.152 16.264 256 2HH1 ARG 32 HH22 ARG 32 -1.376 27.471 16.677 257 1HH2 ARG 32 HH11 ARG 32 -4.811 27.237 17.071 258 2HH2 ARG 32 HH12 ARG 32 -3.303 26.388 17.133 259 H TYR 33 HN TYR 33 -7.197 26.707 11.113 260 HA TYR 33 HA TYR 33 -6.625 29.054 9.433 261 1HB TYR 33 HB2 TYR 33 -7.373 26.187 9.140 262 2HB TYR 33 HB1 TYR 33 -7.888 27.259 7.836 263 HD1 TYR 33 HD1 TYR 33 -5.066 25.602 9.428 264 HD2 TYR 33 HD2 TYR 33 -6.191 28.676 6.647 265 HE1 TYR 33 HE1 TYR 33 -2.752 25.640 8.533 266 HE2 TYR 33 HE2 TYR 33 -3.880 28.712 5.749 267 HH TYR 33 HH TYR 33 -1.281 27.346 7.327 268 HA PRO 34 HA PRO 34 -10.708 30.710 9.990 269 1HB PRO 34 HB2 PRO 34 -10.866 32.279 7.745 270 2HB PRO 34 HB1 PRO 34 -9.923 32.728 9.181 271 1HG PRO 34 HG2 PRO 34 -9.000 31.510 6.620 272 2HG PRO 34 HG1 PRO 34 -8.257 32.793 7.590 273 1HD PRO 34 HD2 PRO 34 -7.375 30.242 7.653 274 2HD PRO 34 HD1 PRO 34 -7.308 31.309 9.074 275 H GLY 35 HN GLY 35 -11.569 28.495 9.585 276 1HA GLY 35 HA2 GLY 35 -13.653 28.350 7.759 277 2HA GLY 35 HA1 GLY 35 -12.276 27.667 6.893 278 H ASP 36 HN ASP 36 -14.356 27.263 9.725 279 HA ASP 36 HA ASP 36 -13.118 24.788 10.629 280 1HB ASP 36 HB2 ASP 36 -15.783 26.156 11.116 281 2HB ASP 36 HB1 ASP 36 -15.287 24.688 11.957 282 H VAL 37 HN VAL 37 -14.111 22.669 10.458 283 HA VAL 37 HA VAL 37 -15.155 20.882 9.355 284 HB VAL 37 HB VAL 37 -16.996 23.060 8.322 285 1HG1 VAL 37 HG11 VAL 37 -17.985 20.334 8.903 286 2HG1 VAL 37 HG12 VAL 37 -16.882 20.454 7.532 287 3HG1 VAL 37 HG13 VAL 37 -18.364 21.409 7.557 288 1HG2 VAL 37 HG21 VAL 37 -16.700 21.737 10.969 289 2HG2 VAL 37 HG22 VAL 37 -18.347 21.899 10.358 290 3HG2 VAL 37 HG23 VAL 37 -17.341 23.332 10.575 291 H LYS 38 HN LYS 38 -15.495 23.591 7.016 292 HA LYS 38 HA LYS 38 -14.611 21.874 4.821 293 1HB LYS 38 HB2 LYS 38 -15.100 23.848 3.482 294 2HB LYS 38 HB1 LYS 38 -16.365 23.678 4.695 295 1HG LYS 38 HG2 LYS 38 -15.100 25.324 6.133 296 2HG LYS 38 HG1 LYS 38 -14.004 25.582 4.775 297 1HD LYS 38 HD2 LYS 38 -16.037 26.164 3.376 298 2HD LYS 38 HD1 LYS 38 -16.979 26.144 4.866 299 1HE LYS 38 HE2 LYS 38 -14.636 27.732 5.344 300 2HE LYS 38 HE1 LYS 38 -15.387 28.289 3.837 301 1HZ LYS 38 HZ1 LYS 38 -17.574 28.048 5.154 302 2HZ LYS 38 HZ2 LYS 38 -16.593 29.400 5.458 303 3HZ LYS 38 HZ3 LYS 38 -16.582 28.084 6.530 304 H ARG 39 HN ARG 39 -12.664 22.129 3.636 305 HA ARG 39 HA ARG 39 -10.639 24.073 4.340 306 1HB ARG 39 HB2 ARG 39 -10.864 22.056 6.120 307 2HB ARG 39 HB1 ARG 39 -9.780 21.291 4.957 308 1HG ARG 39 HG2 ARG 39 -8.276 22.367 6.394 309 2HG ARG 39 HG1 ARG 39 -8.455 23.542 5.092 310 1HD ARG 39 HD2 ARG 39 -8.723 24.835 7.070 311 2HD ARG 39 HD1 ARG 39 -10.390 24.524 6.549 312 HE ARG 39 HE ARG 39 -10.130 22.418 8.113 313 1HH1 ARG 39 HH21 ARG 39 -7.503 23.274 9.222 314 2HH1 ARG 39 HH22 ARG 39 -7.962 24.148 10.645 315 1HH2 ARG 39 HH11 ARG 39 -11.269 24.520 9.673 316 2HH2 ARG 39 HH12 ARG 39 -10.095 24.849 10.902 317 H GLY 40 HN GLY 40 -11.297 20.879 2.931 318 1HA GLY 40 HA2 GLY 40 -10.936 21.139 0.320 319 2HA GLY 40 HA1 GLY 40 -9.263 21.371 0.825 320 H ILE 41 HN ILE 41 -9.631 19.436 3.101 321 HA ILE 41 HA ILE 41 -8.687 17.060 1.837 322 HB ILE 41 HB ILE 41 -10.002 17.563 4.530 323 1HG1 ILE 41 HG12 ILE 41 -7.075 17.267 3.813 324 2HG1 ILE 41 HG11 ILE 41 -7.889 18.827 3.944 325 1HG2 ILE 41 HG21 ILE 41 -8.395 15.189 3.536 326 2HG2 ILE 41 HG22 ILE 41 -10.071 15.172 4.083 327 3HG2 ILE 41 HG23 ILE 41 -8.772 15.488 5.233 328 1HD1 ILE 41 HD11 ILE 41 -8.062 18.700 6.230 329 2HD1 ILE 41 HD12 ILE 41 -6.649 17.663 6.036 330 3HD1 ILE 41 HD13 ILE 41 -8.250 16.947 6.222 331 H VAL 42 HN VAL 42 -11.905 17.779 3.195 332 HA VAL 42 HA VAL 42 -13.140 15.314 2.445 333 HB VAL 42 HB VAL 42 -15.223 16.562 2.921 334 1HG1 VAL 42 HG11 VAL 42 -14.783 16.808 5.179 335 2HG1 VAL 42 HG12 VAL 42 -13.260 17.651 4.897 336 3HG1 VAL 42 HG13 VAL 42 -13.351 15.902 4.690 337 1HG2 VAL 42 HG21 VAL 42 -13.404 18.996 2.981 338 2HG2 VAL 42 HG22 VAL 42 -15.101 18.975 3.450 339 3HG2 VAL 42 HG23 VAL 42 -14.649 18.673 1.776 340 H GLU 43 HN GLU 43 -12.867 18.415 0.739 341 HA GLU 43 HA GLU 43 -14.596 17.830 -1.446 342 1HB GLU 43 HB2 GLU 43 -12.183 19.619 -1.106 343 2HB GLU 43 HB1 GLU 43 -13.190 19.640 -2.555 344 1HG GLU 43 HG2 GLU 43 -14.245 20.058 0.258 345 2HG GLU 43 HG1 GLU 43 -13.860 21.366 -0.862 346 H GLN 44 HN GLN 44 -11.109 17.186 -0.999 347 HA GLN 44 HA GLN 44 -10.496 16.345 -3.652 348 1HB GLN 44 HB2 GLN 44 -9.457 15.529 -0.924 349 2HB GLN 44 HB1 GLN 44 -8.691 15.028 -2.430 350 1HG GLN 44 HG2 GLN 44 -8.230 17.313 -3.040 351 2HG GLN 44 HG1 GLN 44 -9.192 17.921 -1.695 352 1HE2 GLN 44 HE21 GLN 44 -6.147 18.054 -2.373 353 2HE2 GLN 44 HE22 GLN 44 -5.404 17.566 -0.927 354 H CYS 45 HN CYS 45 -11.775 14.502 -0.882 355 HA CYS 45 HA CYS 45 -11.851 11.985 -2.399 356 1HB CYS 45 HB2 CYS 45 -13.041 12.782 0.281 357 2HB CYS 45 HB1 CYS 45 -12.818 11.135 -0.298 358 H CYS 46 HN CYS 46 -14.052 14.571 -1.482 359 HA CYS 46 HA CYS 46 -16.560 13.328 -1.972 360 1HB CYS 46 HB2 CYS 46 -15.417 15.996 -1.637 361 2HB CYS 46 HB1 CYS 46 -16.786 16.007 -2.741 362 H THR 47 HN THR 47 -14.773 15.479 -4.249 363 HA THR 47 HA THR 47 -16.522 14.870 -6.471 364 HB THR 47 HB THR 47 -13.709 16.013 -6.357 365 HG1 THR 47 HG1 THR 47 -16.290 17.185 -6.300 366 1HG2 THR 47 HG21 THR 47 -14.425 15.239 -8.620 367 2HG2 THR 47 HG22 THR 47 -14.232 16.990 -8.533 368 3HG2 THR 47 HG23 THR 47 -15.845 16.277 -8.493 369 H SER 48 HN SER 48 -13.301 13.685 -5.515 370 HA SER 48 HA SER 48 -13.630 11.449 -7.491 371 1HB SER 48 HB2 SER 48 -11.182 13.044 -6.666 372 2HB SER 48 HB1 SER 48 -11.114 11.596 -7.667 373 HG SER 48 HG SER 48 -12.198 14.130 -8.224 374 H ILE 49 HN ILE 49 -13.121 9.391 -6.678 375 HA ILE 49 HA ILE 49 -13.232 8.957 -3.846 376 HB ILE 49 HB ILE 49 -12.260 7.194 -6.125 377 1HG1 ILE 49 HG12 ILE 49 -14.979 7.234 -4.792 378 2HG1 ILE 49 HG11 ILE 49 -14.623 8.182 -6.236 379 1HG2 ILE 49 HG21 ILE 49 -13.352 5.520 -4.261 380 2HG2 ILE 49 HG22 ILE 49 -12.631 6.746 -3.219 381 3HG2 ILE 49 HG23 ILE 49 -11.627 5.869 -4.374 382 1HD1 ILE 49 HD11 ILE 49 -14.148 6.217 -7.521 383 2HD1 ILE 49 HD12 ILE 49 -15.649 5.884 -6.657 384 3HD1 ILE 49 HD13 ILE 49 -14.129 5.199 -6.081 385 H CYS 50 HN CYS 50 -11.615 9.206 -2.374 386 HA CYS 50 HA CYS 50 -8.907 9.887 -3.144 387 1HB CYS 50 HB2 CYS 50 -10.481 9.408 -0.645 388 2HB CYS 50 HB1 CYS 50 -8.721 9.384 -0.517 389 H SER 51 HN SER 51 -7.011 8.581 -2.870 390 HA SER 51 HA SER 51 -7.410 5.760 -3.456 391 1HB SER 51 HB2 SER 51 -5.042 5.793 -3.790 392 2HB SER 51 HB1 SER 51 -5.620 7.374 -4.307 393 HG SER 51 HG SER 51 -5.093 8.103 -2.157 394 H LEU 52 HN LEU 52 -7.124 4.028 -2.124 395 HA LEU 52 HA LEU 52 -7.485 4.213 0.679 396 1HB LEU 52 HB2 LEU 52 -8.020 2.262 -0.738 397 2HB LEU 52 HB1 LEU 52 -6.302 2.005 -1.039 398 HG LEU 52 HG LEU 52 -6.012 1.789 1.478 399 1HD1 LEU 52 HD11 LEU 52 -8.497 0.914 2.292 400 2HD1 LEU 52 HD12 LEU 52 -8.908 2.304 1.287 401 3HD1 LEU 52 HD13 LEU 52 -7.818 2.499 2.659 402 1HD2 LEU 52 HD21 LEU 52 -7.800 -0.202 0.043 403 2HD2 LEU 52 HD22 LEU 52 -6.868 -0.545 1.501 404 3HD2 LEU 52 HD23 LEU 52 -6.038 -0.167 -0.009 405 H TYR 53 HN TYR 53 -4.524 3.802 -1.250 406 HA TYR 53 HA TYR 53 -2.664 3.273 0.818 407 1HB TYR 53 HB2 TYR 53 -2.296 3.124 -1.629 408 2HB TYR 53 HB1 TYR 53 -2.321 4.879 -1.706 409 HD1 TYR 53 HD1 TYR 53 -0.576 6.204 -0.432 410 HD2 TYR 53 HD2 TYR 53 -0.338 1.951 -0.977 411 HE1 TYR 53 HE1 TYR 53 1.841 6.271 0.117 412 HE2 TYR 53 HE2 TYR 53 2.078 2.014 -0.426 413 HH TYR 53 HH TYR 53 3.750 3.314 0.457 414 H GLN 54 HN GLN 54 -3.794 6.428 -0.442 415 HA GLN 54 HA GLN 54 -2.054 8.043 1.200 416 1HB GLN 54 HB2 GLN 54 -4.708 8.511 -0.189 417 2HB GLN 54 HB1 GLN 54 -3.818 9.800 0.621 418 1HG GLN 54 HG2 GLN 54 -1.870 9.378 -0.825 419 2HG GLN 54 HG1 GLN 54 -2.744 8.078 -1.634 420 1HE2 GLN 54 HE21 GLN 54 -2.695 9.245 -3.704 421 2HE2 GLN 54 HE22 GLN 54 -3.674 10.607 -3.963 422 H LEU 55 HN LEU 55 -5.360 6.802 1.630 423 HA LEU 55 HA LEU 55 -6.023 8.157 4.046 424 1HB LEU 55 HB2 LEU 55 -6.775 5.451 2.907 425 2HB LEU 55 HB1 LEU 55 -7.588 6.179 4.292 426 HG LEU 55 HG LEU 55 -7.341 7.488 1.569 427 1HD1 LEU 55 HD11 LEU 55 -9.088 5.392 2.452 428 2HD1 LEU 55 HD12 LEU 55 -9.101 6.251 0.913 429 3HD1 LEU 55 HD13 LEU 55 -10.042 6.863 2.270 430 1HD2 LEU 55 HD21 LEU 55 -8.328 8.338 4.224 431 2HD2 LEU 55 HD22 LEU 55 -9.439 8.664 2.893 432 3HD2 LEU 55 HD23 LEU 55 -7.801 9.314 2.853 433 H GLU 56 HN GLU 56 -4.422 5.009 3.527 434 HA GLU 56 HA GLU 56 -4.178 4.216 6.254 435 1HB GLU 56 HB2 GLU 56 -2.537 3.704 3.761 436 2HB GLU 56 HB1 GLU 56 -2.219 2.880 5.288 437 1HG GLU 56 HG2 GLU 56 -4.532 2.019 5.308 438 2HG GLU 56 HG1 GLU 56 -4.851 2.839 3.778 439 H ASN 57 HN ASN 57 -1.997 6.146 4.201 440 HA ASN 57 HA ASN 57 0.126 6.420 6.117 441 1HB ASN 57 HB2 ASN 57 0.258 6.840 3.663 442 2HB ASN 57 HB1 ASN 57 -0.737 8.281 3.881 443 1HD2 ASN 57 HD21 ASN 57 0.408 10.182 4.250 444 2HD2 ASN 57 HD22 ASN 57 2.005 10.264 4.819 445 H TYR 58 HN TYR 58 -2.742 8.434 5.450 446 HA TYR 58 HA TYR 58 -2.087 10.641 7.121 447 1HB TYR 58 HB2 TYR 58 -4.640 9.353 6.167 448 2HB TYR 58 HB1 TYR 58 -4.677 10.777 7.202 449 HD1 TYR 58 HD1 TYR 58 -5.083 9.964 3.955 450 HD2 TYR 58 HD2 TYR 58 -2.506 12.447 6.334 451 HE1 TYR 58 HE1 TYR 58 -4.633 11.393 1.979 452 HE2 TYR 58 HE2 TYR 58 -2.057 13.875 4.358 453 HH TYR 58 HH TYR 58 -3.804 13.462 1.336 454 H CYS 59 HN CYS 59 -3.728 7.567 7.914 455 HA CYS 59 HA CYS 59 -3.985 8.375 10.749 456 1HB CYS 59 HB2 CYS 59 -5.743 7.126 9.423 457 2HB CYS 59 HB1 CYS 59 -4.651 5.740 9.405 458 H ASN 60 HN ASN 60 -1.619 6.874 8.780 459 HA ASN 60 HA ASN 60 -0.569 4.909 10.619 460 1HB ASN 60 HB2 ASN 60 0.313 6.375 8.171 461 2HB ASN 60 HB1 ASN 60 1.568 5.600 9.138 462 1HD2 ASN 60 HD21 ASN 60 0.939 4.645 6.519 463 2HD2 ASN 60 HD22 ASN 60 0.231 3.109 6.660 Start of MODEL 10 1 1H PHE 1 HT1 PHE 1 -18.010 -6.274 -4.970 2 2H PHE 1 HT2 PHE 1 -19.388 -5.283 -4.911 3 3H PHE 1 HT3 PHE 1 -18.091 -5.004 -3.849 4 HA PHE 1 HA PHE 1 -16.672 -4.312 -5.645 5 1HB PHE 1 HB2 PHE 1 -17.635 -6.044 -7.167 6 2HB PHE 1 HB1 PHE 1 -19.079 -5.045 -7.345 7 HD1 PHE 1 HD1 PHE 1 -15.502 -5.370 -8.150 8 HD2 PHE 1 HD2 PHE 1 -19.014 -2.933 -8.579 9 HE1 PHE 1 HE1 PHE 1 -14.376 -4.060 -9.929 10 HE2 PHE 1 HE2 PHE 1 -17.887 -1.624 -10.359 11 HZ PHE 1 HZ PHE 1 -15.568 -2.187 -11.034 12 H VAL 2 HN VAL 2 -16.935 -2.287 -4.591 13 HA VAL 2 HA VAL 2 -19.190 -0.615 -5.545 14 HB VAL 2 HB VAL 2 -19.197 0.362 -3.265 15 1HG1 VAL 2 HG11 VAL 2 -19.337 -2.595 -2.829 16 2HG1 VAL 2 HG12 VAL 2 -20.424 -1.866 -4.011 17 3HG1 VAL 2 HG13 VAL 2 -20.468 -1.338 -2.328 18 1HG2 VAL 2 HG21 VAL 2 -16.760 -0.178 -2.829 19 2HG2 VAL 2 HG22 VAL 2 -17.254 -1.849 -2.555 20 3HG2 VAL 2 HG23 VAL 2 -17.848 -0.569 -1.497 21 H ASN 3 HN ASN 3 -18.671 1.709 -5.571 22 HA ASN 3 HA ASN 3 -15.853 2.531 -5.294 23 1HB ASN 3 HB2 ASN 3 -17.295 2.076 -7.890 24 2HB ASN 3 HB1 ASN 3 -16.123 3.389 -7.794 25 1HD2 ASN 3 HD21 ASN 3 -15.817 0.908 -9.375 26 2HD2 ASN 3 HD22 ASN 3 -14.442 0.119 -8.768 27 H GLN 4 HN GLN 4 -18.301 3.283 -4.028 28 HA GLN 4 HA GLN 4 -19.245 5.812 -5.179 29 1HB GLN 4 HB2 GLN 4 -19.663 4.523 -2.466 30 2HB GLN 4 HB1 GLN 4 -20.620 5.839 -3.134 31 1HG GLN 4 HG2 GLN 4 -20.347 3.148 -4.498 32 2HG GLN 4 HG1 GLN 4 -21.659 3.536 -3.385 33 1HE2 GLN 4 HE21 GLN 4 -23.014 5.513 -4.001 34 2HE2 GLN 4 HE22 GLN 4 -23.227 5.850 -5.651 35 H HIS 5 HN HIS 5 -19.074 7.846 -3.944 36 HA HIS 5 HA HIS 5 -16.347 8.363 -3.023 37 1HB HIS 5 HB2 HIS 5 -18.888 10.017 -3.183 38 2HB HIS 5 HB1 HIS 5 -17.305 10.678 -2.778 39 HD1 HIS 5 HD1 HIS 5 -15.377 9.904 -4.703 40 HD2 HIS 5 HD2 HIS 5 -19.364 10.191 -5.888 41 HE1 HIS 5 HE1 HIS 5 -15.361 10.124 -7.226 42 H LEU 6 HN LEU 6 -15.698 8.711 -0.875 43 HA LEU 6 HA LEU 6 -17.675 8.023 1.227 44 1HB LEU 6 HB2 LEU 6 -14.646 8.113 1.167 45 2HB LEU 6 HB1 LEU 6 -15.603 7.604 2.559 46 HG LEU 6 HG LEU 6 -16.722 6.023 0.712 47 1HD1 LEU 6 HD11 LEU 6 -14.033 6.822 -0.350 48 2HD1 LEU 6 HD12 LEU 6 -15.532 6.516 -1.226 49 3HD1 LEU 6 HD13 LEU 6 -14.589 5.166 -0.594 50 1HD2 LEU 6 HD21 LEU 6 -14.282 5.698 2.423 51 2HD2 LEU 6 HD22 LEU 6 -14.760 4.374 1.360 52 3HD2 LEU 6 HD23 LEU 6 -15.874 4.960 2.596 53 H CYS 7 HN CYS 7 -18.668 9.961 1.745 54 HA CYS 7 HA CYS 7 -16.966 12.074 2.978 55 1HB CYS 7 HB2 CYS 7 -18.958 12.434 0.711 56 2HB CYS 7 HB1 CYS 7 -18.276 13.773 1.629 57 H GLY 8 HN GLY 8 -18.979 13.924 3.449 58 1HA GLY 8 HA2 GLY 8 -20.705 14.385 4.955 59 2HA GLY 8 HA1 GLY 8 -21.530 13.024 4.193 60 H SER 9 HN SER 9 -22.384 12.109 6.102 61 HA SER 9 HA SER 9 -20.823 11.745 8.523 62 1HB SER 9 HB2 SER 9 -23.316 11.990 8.333 63 2HB SER 9 HB1 SER 9 -23.375 10.385 7.609 64 HG SER 9 HG SER 9 -23.389 10.979 10.154 65 H HIS 10 HN HIS 10 -21.430 9.770 5.671 66 HA HIS 10 HA HIS 10 -20.737 7.204 6.712 67 1HB HIS 10 HB2 HIS 10 -21.835 7.678 4.538 68 2HB HIS 10 HB1 HIS 10 -20.332 8.380 3.942 69 HD1 HIS 10 HD1 HIS 10 -18.356 6.748 3.451 70 HD2 HIS 10 HD2 HIS 10 -21.852 4.840 4.682 71 HE1 HIS 10 HE1 HIS 10 -18.037 4.283 2.963 72 H LEU 11 HN LEU 11 -18.687 9.755 5.275 73 HA LEU 11 HA LEU 11 -16.234 8.293 5.213 74 1HB LEU 11 HB2 LEU 11 -16.650 10.433 4.076 75 2HB LEU 11 HB1 LEU 11 -16.780 11.252 5.630 76 HG LEU 11 HG LEU 11 -14.434 10.619 6.140 77 1HD1 LEU 11 HD11 LEU 11 -14.111 8.609 4.905 78 2HD1 LEU 11 HD12 LEU 11 -13.082 9.800 4.111 79 3HD1 LEU 11 HD13 LEU 11 -14.633 9.360 3.398 80 1HD2 LEU 11 HD21 LEU 11 -13.386 12.184 4.602 81 2HD2 LEU 11 HD22 LEU 11 -15.008 12.769 4.970 82 3HD2 LEU 11 HD23 LEU 11 -14.689 11.966 3.433 83 H VAL 12 HN VAL 12 -17.657 10.327 7.791 84 HA VAL 12 HA VAL 12 -15.480 10.210 9.635 85 HB VAL 12 HB VAL 12 -18.489 10.420 10.001 86 1HG1 VAL 12 HG11 VAL 12 -16.245 10.467 11.953 87 2HG1 VAL 12 HG12 VAL 12 -17.936 10.029 12.194 88 3HG1 VAL 12 HG13 VAL 12 -17.465 11.728 12.137 89 1HG2 VAL 12 HG21 VAL 12 -17.548 12.885 10.463 90 2HG2 VAL 12 HG22 VAL 12 -17.933 12.330 8.834 91 3HG2 VAL 12 HG23 VAL 12 -16.262 12.316 9.399 92 H GLU 13 HN GLU 13 -18.350 8.122 9.302 93 HA GLU 13 HA GLU 13 -17.772 6.296 11.406 94 1HB GLU 13 HB2 GLU 13 -19.925 6.499 10.186 95 2HB GLU 13 HB1 GLU 13 -19.152 5.854 8.737 96 1HG GLU 13 HG2 GLU 13 -18.641 3.756 9.937 97 2HG GLU 13 HG1 GLU 13 -19.412 4.397 11.386 98 H ALA 14 HN ALA 14 -16.813 6.343 7.995 99 HA ALA 14 HA ALA 14 -15.507 3.820 7.870 100 1HB ALA 14 HB1 ALA 14 -15.196 6.456 6.425 101 2HB ALA 14 HB2 ALA 14 -16.017 5.001 5.862 102 3HB ALA 14 HB3 ALA 14 -14.257 5.034 5.971 103 H LEU 15 HN LEU 15 -14.293 7.050 8.788 104 HA LEU 15 HA LEU 15 -11.531 6.396 9.047 105 1HB LEU 15 HB2 LEU 15 -13.343 8.374 10.459 106 2HB LEU 15 HB1 LEU 15 -11.590 8.370 10.654 107 HG LEU 15 HG LEU 15 -12.974 8.564 7.966 108 1HD1 LEU 15 HD11 LEU 15 -11.866 10.724 9.786 109 2HD1 LEU 15 HD12 LEU 15 -13.537 10.549 9.248 110 3HD1 LEU 15 HD13 LEU 15 -12.278 10.980 8.090 111 1HD2 LEU 15 HD21 LEU 15 -10.144 8.641 8.966 112 2HD2 LEU 15 HD22 LEU 15 -10.571 9.592 7.543 113 3HD2 LEU 15 HD23 LEU 15 -10.799 7.843 7.536 114 H TYR 16 HN TYR 16 -14.171 6.252 11.457 115 HA TYR 16 HA TYR 16 -12.577 5.400 13.677 116 1HB TYR 16 HB2 TYR 16 -15.481 5.007 12.900 117 2HB TYR 16 HB1 TYR 16 -14.842 4.555 14.480 118 HD1 TYR 16 HD1 TYR 16 -13.049 6.629 15.264 119 HD2 TYR 16 HD2 TYR 16 -16.711 6.976 13.045 120 HE1 TYR 16 HE1 TYR 16 -13.293 8.974 16.032 121 HE2 TYR 16 HE2 TYR 16 -16.953 9.322 13.812 122 HH TYR 16 HH TYR 16 -15.312 10.599 16.359 123 H LEU 17 HN LEU 17 -14.532 3.479 11.379 124 HA LEU 17 HA LEU 17 -13.734 0.930 12.421 125 1HB LEU 17 HB2 LEU 17 -14.917 1.840 9.814 126 2HB LEU 17 HB1 LEU 17 -14.773 0.147 10.268 127 HG LEU 17 HG LEU 17 -16.227 2.244 11.908 128 1HD1 LEU 17 HD11 LEU 17 -17.657 2.001 10.094 129 2HD1 LEU 17 HD12 LEU 17 -18.208 0.677 11.121 130 3HD1 LEU 17 HD13 LEU 17 -17.128 0.351 9.765 131 1HD2 LEU 17 HD21 LEU 17 -17.194 -0.092 12.770 132 2HD2 LEU 17 HD22 LEU 17 -15.715 0.592 13.443 133 3HD2 LEU 17 HD23 LEU 17 -15.622 -0.669 12.214 134 H VAL 18 HN VAL 18 -12.553 2.899 9.701 135 HA VAL 18 HA VAL 18 -10.703 0.933 8.690 136 HB VAL 18 HB VAL 18 -10.982 3.918 8.433 137 1HG1 VAL 18 HG11 VAL 18 -8.967 2.053 7.230 138 2HG1 VAL 18 HG12 VAL 18 -8.748 3.705 7.808 139 3HG1 VAL 18 HG13 VAL 18 -9.561 3.409 6.271 140 1HG2 VAL 18 HG21 VAL 18 -11.515 1.753 6.398 141 2HG2 VAL 18 HG22 VAL 18 -12.057 3.431 6.358 142 3HG2 VAL 18 HG23 VAL 18 -12.748 2.308 7.530 143 H CYS 19 HN CYS 19 -10.252 3.778 10.816 144 HA CYS 19 HA CYS 19 -7.422 3.333 11.219 145 1HB CYS 19 HB2 CYS 19 -9.553 4.885 12.662 146 2HB CYS 19 HB1 CYS 19 -7.861 4.949 13.132 147 H GLY 20 HN GLY 20 -10.340 2.459 13.041 148 1HA GLY 20 HA2 GLY 20 -10.683 0.829 14.677 149 2HA GLY 20 HA1 GLY 20 -9.153 0.122 14.170 150 H GLU 21 HN GLU 21 -9.339 3.448 15.285 151 HA GLU 21 HA GLU 21 -8.298 2.670 17.943 152 1HB GLU 21 HB2 GLU 21 -6.423 2.890 16.292 153 2HB GLU 21 HB1 GLU 21 -6.895 4.572 16.048 154 1HG GLU 21 HG2 GLU 21 -6.459 5.093 18.379 155 2HG GLU 21 HG1 GLU 21 -6.159 3.395 18.743 156 H ARG 22 HN ARG 22 -9.610 3.770 19.322 157 HA ARG 22 HA ARG 22 -11.193 6.050 18.678 158 1HB ARG 22 HB2 ARG 22 -11.537 4.397 20.536 159 2HB ARG 22 HB1 ARG 22 -10.167 5.119 21.379 160 1HG ARG 22 HG2 ARG 22 -11.329 7.302 21.396 161 2HG ARG 22 HG1 ARG 22 -12.706 6.570 20.572 162 1HD ARG 22 HD2 ARG 22 -11.654 5.567 23.239 163 2HD ARG 22 HD1 ARG 22 -12.988 6.728 23.086 164 HE ARG 22 HE ARG 22 -13.896 4.837 21.430 165 1HH1 ARG 22 HH11 ARG 22 -11.828 2.921 22.556 166 2HH1 ARG 22 HH12 ARG 22 -12.745 2.108 23.780 167 1HH2 ARG 22 HH21 ARG 22 -15.276 4.479 23.832 168 2HH2 ARG 22 HH22 ARG 22 -14.697 2.990 24.503 169 H GLY 23 HN GLY 23 -8.017 5.756 20.255 170 1HA GLY 23 HA2 GLY 23 -7.811 8.690 20.533 171 2HA GLY 23 HA1 GLY 23 -6.660 7.510 21.156 172 H PHE 24 HN PHE 24 -7.941 8.054 17.860 173 HA PHE 24 HA PHE 24 -5.307 7.671 16.672 174 1HB PHE 24 HB2 PHE 24 -6.531 8.082 14.591 175 2HB PHE 24 HB1 PHE 24 -7.511 7.056 15.635 176 HD1 PHE 24 HD1 PHE 24 -7.062 10.487 14.336 177 HD2 PHE 24 HD2 PHE 24 -9.610 7.848 16.562 178 HE1 PHE 24 HE1 PHE 24 -8.888 12.158 14.217 179 HE2 PHE 24 HE2 PHE 24 -11.436 9.522 16.452 180 HZ PHE 24 HZ PHE 24 -11.076 11.677 15.278 181 H PHE 25 HN PHE 25 -3.986 9.342 15.701 182 HA PHE 25 HA PHE 25 -4.179 11.947 16.982 183 1HB PHE 25 HB2 PHE 25 -2.330 10.881 14.820 184 2HB PHE 25 HB1 PHE 25 -2.062 12.337 15.772 185 HD1 PHE 25 HD1 PHE 25 -2.498 11.769 18.472 186 HD2 PHE 25 HD2 PHE 25 -1.023 9.094 15.453 187 HE1 PHE 25 HE1 PHE 25 -1.392 10.402 20.222 188 HE2 PHE 25 HE2 PHE 25 0.080 7.726 17.201 189 HZ PHE 25 HZ PHE 25 -0.104 8.379 19.586 190 H TYR 26 HN TYR 26 -3.734 11.145 13.536 191 HA TYR 26 HA TYR 26 -4.410 12.295 11.596 192 1HB TYR 26 HB2 TYR 26 -6.355 10.897 12.563 193 2HB TYR 26 HB1 TYR 26 -7.054 12.448 13.036 194 HD1 TYR 26 HD1 TYR 26 -5.560 10.677 10.096 195 HD2 TYR 26 HD2 TYR 26 -8.308 13.680 11.469 196 HE1 TYR 26 HE1 TYR 26 -6.363 11.002 7.774 197 HE2 TYR 26 HE2 TYR 26 -9.111 14.006 9.144 198 HH TYR 26 HH TYR 26 -8.601 11.875 6.708 199 H THR 27 HN THR 27 -3.475 14.087 13.866 200 HA THR 27 HA THR 27 -5.153 16.469 13.678 201 HB THR 27 HB THR 27 -3.295 17.414 15.080 202 HG1 THR 27 HG1 THR 27 -1.519 16.285 15.385 203 1HG2 THR 27 HG21 THR 27 -3.647 14.932 16.521 204 2HG2 THR 27 HG22 THR 27 -5.158 15.398 15.741 205 3HG2 THR 27 HG23 THR 27 -4.355 16.513 16.847 206 HA PRO 28 HA PRO 28 -2.726 17.546 10.026 207 1HB PRO 28 HB2 PRO 28 -4.494 19.346 8.978 208 2HB PRO 28 HB1 PRO 28 -4.683 17.592 8.802 209 1HG PRO 28 HG2 PRO 28 -6.183 19.475 10.477 210 2HG PRO 28 HG1 PRO 28 -6.648 17.882 9.871 211 1HD PRO 28 HD2 PRO 28 -5.742 18.550 12.483 212 2HD PRO 28 HD1 PRO 28 -6.115 16.937 11.843 213 H LYS 29 HN LYS 29 -2.289 19.941 9.040 214 HA LYS 29 HA LYS 29 -0.924 21.431 11.067 215 1HB LYS 29 HB2 LYS 29 -0.399 21.302 8.605 216 2HB LYS 29 HB1 LYS 29 -1.813 22.310 8.301 217 1HG LYS 29 HG2 LYS 29 -0.872 24.145 9.537 218 2HG LYS 29 HG1 LYS 29 0.443 23.137 10.143 219 1HD LYS 29 HD2 LYS 29 1.321 24.467 8.329 220 2HD LYS 29 HD1 LYS 29 1.182 22.805 7.755 221 1HE LYS 29 HE2 LYS 29 -1.045 23.399 6.740 222 2HE LYS 29 HE1 LYS 29 -0.737 25.090 7.185 223 1HZ LYS 29 HZ1 LYS 29 1.223 25.130 5.896 224 2HZ LYS 29 HZ2 LYS 29 0.042 24.420 4.901 225 3HZ LYS 29 HZ3 LYS 29 1.210 23.450 5.664 226 H THR 30 HN THR 30 -4.029 21.871 9.416 227 HA THR 30 HA THR 30 -5.844 23.319 9.850 228 HB THR 30 HB THR 30 -4.738 22.885 12.642 229 HG1 THR 30 HG1 THR 30 -5.355 20.916 12.372 230 1HG2 THR 30 HG21 THR 30 -6.527 24.048 13.340 231 2HG2 THR 30 HG22 THR 30 -7.575 22.870 12.551 232 3HG2 THR 30 HG23 THR 30 -7.046 24.306 11.674 233 H ARG 31 HN ARG 31 -3.545 24.782 9.065 234 HA ARG 31 HA ARG 31 -2.577 26.943 9.165 235 1HB ARG 31 HB2 ARG 31 -5.390 27.308 10.235 236 2HB ARG 31 HB1 ARG 31 -4.363 28.639 9.697 237 1HG ARG 31 HG2 ARG 31 -4.181 27.604 7.471 238 2HG ARG 31 HG1 ARG 31 -5.209 26.273 8.001 239 1HD ARG 31 HD2 ARG 31 -6.919 28.162 8.617 240 2HD ARG 31 HD1 ARG 31 -5.959 29.147 7.493 241 HE ARG 31 HE ARG 31 -7.533 26.749 6.774 242 1HH1 ARG 31 HH11 ARG 31 -4.614 27.024 5.639 243 2HH1 ARG 31 HH12 ARG 31 -4.978 27.673 4.076 244 1HH2 ARG 31 HH21 ARG 31 -8.258 28.462 4.870 245 2HH2 ARG 31 HH22 ARG 31 -7.040 28.482 3.639 246 H ARG 32 HN ARG 32 -2.797 29.043 10.869 247 HA ARG 32 HA ARG 32 -1.152 28.396 13.087 248 1HB ARG 32 HB2 ARG 32 -2.946 30.748 12.445 249 2HB ARG 32 HB1 ARG 32 -1.785 30.748 13.777 250 1HG ARG 32 HG2 ARG 32 -0.957 30.035 10.964 251 2HG ARG 32 HG1 ARG 32 -0.975 31.703 11.526 252 1HD ARG 32 HD2 ARG 32 0.641 31.244 13.245 253 2HD ARG 32 HD1 ARG 32 0.506 29.495 12.984 254 HE ARG 32 HE ARG 32 1.220 30.900 10.541 255 1HH1 ARG 32 HH11 ARG 32 2.141 28.366 12.379 256 2HH1 ARG 32 HH12 ARG 32 3.849 28.646 12.304 257 1HH2 ARG 32 HH21 ARG 32 3.537 31.810 10.920 258 2HH2 ARG 32 HH22 ARG 32 4.638 30.596 11.478 259 H TYR 33 HN TYR 33 -4.664 28.801 12.831 260 HA TYR 33 HA TYR 33 -5.040 27.359 15.397 261 1HB TYR 33 HB2 TYR 33 -4.787 29.924 15.656 262 2HB TYR 33 HB1 TYR 33 -6.366 30.003 14.889 263 HD1 TYR 33 HD1 TYR 33 -8.194 30.115 16.310 264 HD2 TYR 33 HD2 TYR 33 -4.689 27.970 17.566 265 HE1 TYR 33 HE1 TYR 33 -9.293 29.583 18.468 266 HE2 TYR 33 HE2 TYR 33 -5.790 27.438 19.724 267 HH TYR 33 HH TYR 33 -8.862 27.477 20.275 268 HA PRO 34 HA PRO 34 -8.421 25.907 12.936 269 1HB PRO 34 HB2 PRO 34 -9.912 24.639 14.845 270 2HB PRO 34 HB1 PRO 34 -8.398 23.983 14.204 271 1HG PRO 34 HG2 PRO 34 -8.948 25.256 16.798 272 2HG PRO 34 HG1 PRO 34 -7.720 24.062 16.359 273 1HD PRO 34 HD2 PRO 34 -7.329 26.810 16.721 274 2HD PRO 34 HD1 PRO 34 -6.173 25.670 16.008 275 H GLY 35 HN GLY 35 -9.068 28.301 12.756 276 1HA GLY 35 HA2 GLY 35 -11.047 29.454 14.476 277 2HA GLY 35 HA1 GLY 35 -10.744 29.944 12.807 278 H ASP 36 HN ASP 36 -11.230 27.231 11.762 279 HA ASP 36 HA ASP 36 -14.060 26.642 12.398 280 1HB ASP 36 HB2 ASP 36 -13.045 27.831 9.801 281 2HB ASP 36 HB1 ASP 36 -14.602 27.013 9.923 282 H VAL 37 HN VAL 37 -14.790 24.719 11.022 283 HA VAL 37 HA VAL 37 -12.680 22.719 10.921 284 HB VAL 37 HB VAL 37 -15.613 22.665 10.134 285 1HG1 VAL 37 HG11 VAL 37 -14.183 20.820 9.177 286 2HG1 VAL 37 HG12 VAL 37 -15.441 20.253 10.276 287 3HG1 VAL 37 HG13 VAL 37 -13.769 20.359 10.828 288 1HG2 VAL 37 HG21 VAL 37 -14.280 21.707 12.685 289 2HG2 VAL 37 HG22 VAL 37 -16.010 21.795 12.355 290 3HG2 VAL 37 HG23 VAL 37 -15.070 23.277 12.530 291 H LYS 38 HN LYS 38 -11.322 22.677 9.191 292 HA LYS 38 HA LYS 38 -12.137 23.714 6.556 293 1HB LYS 38 HB2 LYS 38 -9.963 24.241 7.517 294 2HB LYS 38 HB1 LYS 38 -9.593 22.531 7.714 295 1HG LYS 38 HG2 LYS 38 -9.603 22.224 5.281 296 2HG LYS 38 HG1 LYS 38 -10.041 23.918 5.052 297 1HD LYS 38 HD2 LYS 38 -7.953 24.673 5.952 298 2HD LYS 38 HD1 LYS 38 -7.550 23.061 6.542 299 1HE LYS 38 HE2 LYS 38 -7.452 22.243 4.191 300 2HE LYS 38 HE1 LYS 38 -7.772 23.896 3.627 301 1HZ LYS 38 HZ1 LYS 38 -5.391 23.491 3.749 302 2HZ LYS 38 HZ2 LYS 38 -5.524 23.060 5.387 303 3HZ LYS 38 HZ3 LYS 38 -5.848 24.654 4.896 304 H ARG 39 HN ARG 39 -13.500 22.246 5.492 305 HA ARG 39 HA ARG 39 -12.903 19.384 5.485 306 1HB ARG 39 HB2 ARG 39 -15.091 21.125 4.321 307 2HB ARG 39 HB1 ARG 39 -15.037 19.374 4.122 308 1HG ARG 39 HG2 ARG 39 -15.021 19.118 6.598 309 2HG ARG 39 HG1 ARG 39 -15.169 20.869 6.757 310 1HD ARG 39 HD2 ARG 39 -17.165 19.142 5.251 311 2HD ARG 39 HD1 ARG 39 -17.384 19.691 6.925 312 HE ARG 39 HE ARG 39 -17.308 21.457 4.531 313 1HH1 ARG 39 HH11 ARG 39 -15.993 22.826 6.808 314 2HH1 ARG 39 HH12 ARG 39 -17.322 23.589 7.614 315 1HH2 ARG 39 HH21 ARG 39 -19.731 21.643 6.053 316 2HH2 ARG 39 HH22 ARG 39 -19.439 22.920 7.187 317 H GLY 40 HN GLY 40 -11.330 21.735 3.995 318 1HA GLY 40 HA2 GLY 40 -11.676 21.361 1.201 319 2HA GLY 40 HA1 GLY 40 -10.181 21.916 1.960 320 H ILE 41 HN ILE 41 -9.619 19.648 3.550 321 HA ILE 41 HA ILE 41 -8.426 17.896 1.573 322 HB ILE 41 HB ILE 41 -7.608 16.704 3.578 323 1HG1 ILE 41 HG12 ILE 41 -9.353 18.614 5.171 324 2HG1 ILE 41 HG11 ILE 41 -9.724 16.912 4.915 325 1HG2 ILE 41 HG21 ILE 41 -6.754 18.904 4.788 326 2HG2 ILE 41 HG22 ILE 41 -7.497 19.690 3.396 327 3HG2 ILE 41 HG23 ILE 41 -6.216 18.503 3.158 328 1HD1 ILE 41 HD11 ILE 41 -8.404 17.689 7.073 329 2HD1 ILE 41 HD12 ILE 41 -7.024 17.623 5.978 330 3HD1 ILE 41 HD13 ILE 41 -7.995 16.179 6.261 331 H VAL 42 HN VAL 42 -11.199 17.648 3.785 332 HA VAL 42 HA VAL 42 -11.898 14.920 3.136 333 HB VAL 42 HB VAL 42 -13.411 17.295 4.220 334 1HG1 VAL 42 HG11 VAL 42 -14.885 15.276 5.131 335 2HG1 VAL 42 HG12 VAL 42 -14.303 14.499 3.659 336 3HG1 VAL 42 HG13 VAL 42 -15.216 16.004 3.559 337 1HG2 VAL 42 HG21 VAL 42 -12.732 14.886 5.832 338 2HG2 VAL 42 HG22 VAL 42 -12.786 16.581 6.317 339 3HG2 VAL 42 HG23 VAL 42 -11.408 15.969 5.402 340 H GLU 43 HN GLU 43 -13.023 18.088 2.022 341 HA GLU 43 HA GLU 43 -14.931 17.247 0.090 342 1HB GLU 43 HB2 GLU 43 -14.648 19.534 0.977 343 2HB GLU 43 HB1 GLU 43 -13.085 19.658 0.173 344 1HG GLU 43 HG2 GLU 43 -14.193 19.386 -2.020 345 2HG GLU 43 HG1 GLU 43 -15.755 19.267 -1.214 346 H GLN 44 HN GLN 44 -11.414 17.505 -0.083 347 HA GLN 44 HA GLN 44 -11.047 17.465 -2.904 348 1HB GLN 44 HB2 GLN 44 -9.304 17.921 -1.210 349 2HB GLN 44 HB1 GLN 44 -9.382 16.241 -0.676 350 1HG GLN 44 HG2 GLN 44 -8.685 15.490 -2.923 351 2HG GLN 44 HG1 GLN 44 -8.607 17.169 -3.459 352 1HE2 GLN 44 HE21 GLN 44 -6.234 16.610 -3.874 353 2HE2 GLN 44 HE22 GLN 44 -5.148 16.724 -2.574 354 H CYS 45 HN CYS 45 -11.467 14.761 -0.599 355 HA CYS 45 HA CYS 45 -11.119 12.711 -2.649 356 1HB CYS 45 HB2 CYS 45 -12.204 12.728 0.184 357 2HB CYS 45 HB1 CYS 45 -11.975 11.257 -0.760 358 H CYS 46 HN CYS 46 -13.785 14.657 -1.503 359 HA CYS 46 HA CYS 46 -15.946 12.916 -2.328 360 1HB CYS 46 HB2 CYS 46 -15.766 15.938 -2.027 361 2HB CYS 46 HB1 CYS 46 -17.264 15.013 -2.111 362 H THR 47 HN THR 47 -14.128 15.534 -3.908 363 HA THR 47 HA THR 47 -15.682 15.480 -6.371 364 HB THR 47 HB THR 47 -13.817 16.947 -7.136 365 HG1 THR 47 HG1 THR 47 -12.138 17.332 -5.631 366 1HG2 THR 47 HG21 THR 47 -13.943 18.364 -4.776 367 2HG2 THR 47 HG22 THR 47 -15.374 17.339 -4.672 368 3HG2 THR 47 HG23 THR 47 -15.158 18.416 -6.052 369 H SER 48 HN SER 48 -12.594 14.074 -5.296 370 HA SER 48 HA SER 48 -12.663 12.256 -7.680 371 1HB SER 48 HB2 SER 48 -10.213 12.533 -7.794 372 2HB SER 48 HB1 SER 48 -11.010 14.100 -7.917 373 HG SER 48 HG SER 48 -9.151 13.632 -6.309 374 H ILE 49 HN ILE 49 -12.059 10.100 -7.207 375 HA ILE 49 HA ILE 49 -12.374 9.198 -4.488 376 HB ILE 49 HB ILE 49 -11.289 7.820 -6.970 377 1HG1 ILE 49 HG12 ILE 49 -14.091 7.777 -5.810 378 2HG1 ILE 49 HG11 ILE 49 -13.601 8.857 -7.116 379 1HG2 ILE 49 HG21 ILE 49 -12.626 6.516 -4.594 380 2HG2 ILE 49 HG22 ILE 49 -10.877 6.725 -4.672 381 3HG2 ILE 49 HG23 ILE 49 -11.703 5.748 -5.885 382 1HD1 ILE 49 HD11 ILE 49 -12.698 6.556 -8.150 383 2HD1 ILE 49 HD12 ILE 49 -14.361 7.094 -8.388 384 3HD1 ILE 49 HD13 ILE 49 -13.990 5.901 -7.144 385 H CYS 50 HN CYS 50 -10.869 8.997 -2.904 386 HA CYS 50 HA CYS 50 -8.024 9.593 -3.495 387 1HB CYS 50 HB2 CYS 50 -9.799 9.407 -1.061 388 2HB CYS 50 HB1 CYS 50 -8.044 9.469 -0.884 389 H SER 51 HN SER 51 -6.323 8.125 -2.837 390 HA SER 51 HA SER 51 -6.992 5.296 -3.152 391 1HB SER 51 HB2 SER 51 -4.587 5.052 -3.186 392 2HB SER 51 HB1 SER 51 -4.981 6.525 -4.065 393 HG SER 51 HG SER 51 -4.471 7.701 -2.203 394 H LEU 52 HN LEU 52 -7.026 3.736 -1.566 395 HA LEU 52 HA LEU 52 -7.525 4.380 1.151 396 1HB LEU 52 HB2 LEU 52 -8.230 2.315 -0.019 397 2HB LEU 52 HB1 LEU 52 -6.546 1.803 -0.118 398 HG LEU 52 HG LEU 52 -6.415 1.816 2.365 399 1HD1 LEU 52 HD11 LEU 52 -8.763 1.852 3.495 400 2HD1 LEU 52 HD12 LEU 52 -9.277 2.707 2.041 401 3HD1 LEU 52 HD13 LEU 52 -8.019 3.394 3.068 402 1HD2 LEU 52 HD21 LEU 52 -7.033 -0.255 1.136 403 2HD2 LEU 52 HD22 LEU 52 -8.734 0.190 1.269 404 3HD2 LEU 52 HD23 LEU 52 -7.805 -0.184 2.720 405 H TYR 53 HN TYR 53 -4.534 3.538 -0.529 406 HA TYR 53 HA TYR 53 -2.840 2.995 1.683 407 1HB TYR 53 HB2 TYR 53 -2.371 2.661 -0.746 408 2HB TYR 53 HB1 TYR 53 -2.197 4.403 -0.900 409 HD1 TYR 53 HD1 TYR 53 -0.397 5.598 0.437 410 HD2 TYR 53 HD2 TYR 53 -0.596 1.321 0.086 411 HE1 TYR 53 HE1 TYR 53 1.971 5.427 1.158 412 HE2 TYR 53 HE2 TYR 53 1.769 1.151 0.809 413 HH TYR 53 HH TYR 53 3.369 3.277 2.384 414 H GLN 54 HN GLN 54 -3.571 6.113 0.087 415 HA GLN 54 HA GLN 54 -1.827 7.694 1.770 416 1HB GLN 54 HB2 GLN 54 -4.237 8.297 0.032 417 2HB GLN 54 HB1 GLN 54 -3.272 9.555 0.803 418 1HG GLN 54 HG2 GLN 54 -1.258 8.724 -0.355 419 2HG GLN 54 HG1 GLN 54 -2.224 7.468 -1.131 420 1HE2 GLN 54 HE21 GLN 54 -2.243 8.178 -3.305 421 2HE2 GLN 54 HE22 GLN 54 -2.808 9.701 -3.796 422 H LEU 55 HN LEU 55 -5.299 6.892 1.894 423 HA LEU 55 HA LEU 55 -6.058 8.590 4.052 424 1HB LEU 55 HB2 LEU 55 -7.011 5.867 3.112 425 2HB LEU 55 HB1 LEU 55 -7.876 6.837 4.303 426 HG LEU 55 HG LEU 55 -7.150 7.834 1.538 427 1HD1 LEU 55 HD11 LEU 55 -9.851 6.874 2.520 428 2HD1 LEU 55 HD12 LEU 55 -8.761 5.885 1.549 429 3HD1 LEU 55 HD13 LEU 55 -9.426 7.375 0.883 430 1HD2 LEU 55 HD21 LEU 55 -7.585 9.772 2.689 431 2HD2 LEU 55 HD22 LEU 55 -8.521 8.945 3.933 432 3HD2 LEU 55 HD23 LEU 55 -9.258 9.311 2.373 433 H GLU 56 HN GLU 56 -4.952 5.206 4.080 434 HA GLU 56 HA GLU 56 -5.039 4.760 6.893 435 1HB GLU 56 HB2 GLU 56 -3.320 3.671 4.645 436 2HB GLU 56 HB1 GLU 56 -3.312 2.991 6.272 437 1HG GLU 56 HG2 GLU 56 -5.736 2.571 6.116 438 2HG GLU 56 HG1 GLU 56 -5.755 3.257 4.493 439 H ASN 57 HN ASN 57 -2.463 6.070 4.817 440 HA ASN 57 HA ASN 57 -0.381 6.200 6.764 441 1HB ASN 57 HB2 ASN 57 -0.110 6.455 4.324 442 2HB ASN 57 HB1 ASN 57 -1.002 7.974 4.377 443 1HD2 ASN 57 HD21 ASN 57 0.508 9.628 4.103 444 2HD2 ASN 57 HD22 ASN 57 1.996 9.728 4.914 445 H TYR 58 HN TYR 58 -2.837 8.643 5.857 446 HA TYR 58 HA TYR 58 -1.948 10.762 7.539 447 1HB TYR 58 HB2 TYR 58 -4.633 9.884 6.475 448 2HB TYR 58 HB1 TYR 58 -4.437 11.365 7.403 449 HD1 TYR 58 HD1 TYR 58 -2.193 12.747 6.582 450 HD2 TYR 58 HD2 TYR 58 -4.630 10.154 4.180 451 HE1 TYR 58 HE1 TYR 58 -1.406 13.906 4.534 452 HE2 TYR 58 HE2 TYR 58 -3.845 11.308 2.132 453 HH TYR 58 HH TYR 58 -2.810 13.253 1.383 454 H CYS 59 HN CYS 59 -4.159 8.060 8.207 455 HA CYS 59 HA CYS 59 -4.624 8.966 10.977 456 1HB CYS 59 HB2 CYS 59 -6.354 7.972 9.449 457 2HB CYS 59 HB1 CYS 59 -5.465 6.450 9.505 458 H ASN 60 HN ASN 60 -2.420 6.888 9.296 459 HA ASN 60 HA ASN 60 -1.890 5.009 11.447 460 1HB ASN 60 HB2 ASN 60 -0.668 5.837 8.845 461 2HB ASN 60 HB1 ASN 60 0.330 4.904 9.960 462 1HD2 ASN 60 HD21 ASN 60 -0.492 3.762 7.485 463 2HD2 ASN 60 HD22 ASN 60 -1.599 2.514 7.797 Start of MODEL 11 1 1H PHE 1 HT1 PHE 1 -17.476 -5.925 -2.600 2 2H PHE 1 HT2 PHE 1 -18.785 -4.913 -2.212 3 3H PHE 1 HT3 PHE 1 -17.223 -4.536 -1.660 4 HA PHE 1 HA PHE 1 -16.468 -4.010 -3.844 5 1HB PHE 1 HB2 PHE 1 -17.717 -5.984 -4.773 6 2HB PHE 1 HB1 PHE 1 -19.195 -5.025 -4.706 7 HD1 PHE 1 HD1 PHE 1 -15.940 -5.457 -6.370 8 HD2 PHE 1 HD2 PHE 1 -19.545 -3.128 -6.208 9 HE1 PHE 1 HE1 PHE 1 -15.380 -4.438 -8.561 10 HE2 PHE 1 HE2 PHE 1 -18.985 -2.109 -8.398 11 HZ PHE 1 HZ PHE 1 -16.903 -2.765 -9.575 12 H VAL 2 HN VAL 2 -16.624 -1.917 -2.831 13 HA VAL 2 HA VAL 2 -19.107 -0.420 -3.444 14 HB VAL 2 HB VAL 2 -18.720 0.752 -1.293 15 1HG1 VAL 2 HG11 VAL 2 -18.901 -2.264 -1.242 16 2HG1 VAL 2 HG12 VAL 2 -20.224 -1.100 -1.159 17 3HG1 VAL 2 HG13 VAL 2 -19.120 -1.280 0.205 18 1HG2 VAL 2 HG21 VAL 2 -16.256 0.439 -1.227 19 2HG2 VAL 2 HG22 VAL 2 -16.501 -1.282 -0.929 20 3HG2 VAL 2 HG23 VAL 2 -17.023 -0.097 0.268 21 H ASN 3 HN ASN 3 -18.706 1.923 -3.772 22 HA ASN 3 HA ASN 3 -15.915 2.804 -4.157 23 1HB ASN 3 HB2 ASN 3 -16.301 3.233 -6.576 24 2HB ASN 3 HB1 ASN 3 -16.454 1.519 -6.195 25 1HD2 ASN 3 HD21 ASN 3 -17.738 2.114 -8.476 26 2HD2 ASN 3 HD22 ASN 3 -19.414 2.275 -8.260 27 H GLN 4 HN GLN 4 -18.010 3.700 -2.460 28 HA GLN 4 HA GLN 4 -19.293 6.067 -3.623 29 1HB GLN 4 HB2 GLN 4 -18.947 5.147 -0.754 30 2HB GLN 4 HB1 GLN 4 -20.109 6.339 -1.320 31 1HG GLN 4 HG2 GLN 4 -21.197 4.627 -2.729 32 2HG GLN 4 HG1 GLN 4 -20.037 3.422 -2.160 33 1HE2 GLN 4 HE21 GLN 4 -23.109 3.821 -1.730 34 2HE2 GLN 4 HE22 GLN 4 -23.288 3.654 -0.051 35 H HIS 5 HN HIS 5 -18.845 8.255 -2.785 36 HA HIS 5 HA HIS 5 -15.982 8.833 -2.597 37 1HB HIS 5 HB2 HIS 5 -18.543 10.449 -2.503 38 2HB HIS 5 HB1 HIS 5 -16.955 11.198 -2.337 39 HD1 HIS 5 HD1 HIS 5 -15.665 11.638 -4.446 40 HD2 HIS 5 HD2 HIS 5 -18.883 9.067 -5.090 41 HE1 HIS 5 HE1 HIS 5 -15.827 11.307 -6.951 42 H LEU 6 HN LEU 6 -14.852 9.014 -0.683 43 HA LEU 6 HA LEU 6 -16.272 8.731 1.858 44 1HB LEU 6 HB2 LEU 6 -13.371 8.931 1.018 45 2HB LEU 6 HB1 LEU 6 -13.868 8.746 2.702 46 HG LEU 6 HG LEU 6 -14.726 6.863 0.495 47 1HD1 LEU 6 HD11 LEU 6 -13.016 5.344 1.211 48 2HD1 LEU 6 HD12 LEU 6 -12.603 6.362 2.590 49 3HD1 LEU 6 HD13 LEU 6 -12.220 6.897 0.953 50 1HD2 LEU 6 HD21 LEU 6 -16.245 6.497 2.188 51 2HD2 LEU 6 HD22 LEU 6 -15.149 7.083 3.439 52 3HD2 LEU 6 HD23 LEU 6 -14.940 5.464 2.771 53 H CYS 7 HN CYS 7 -17.420 10.777 1.808 54 HA CYS 7 HA CYS 7 -15.809 13.026 2.879 55 1HB CYS 7 HB2 CYS 7 -16.757 12.800 0.168 56 2HB CYS 7 HB1 CYS 7 -17.667 14.083 0.960 57 H GLY 8 HN GLY 8 -17.574 14.899 3.340 58 1HA GLY 8 HA2 GLY 8 -19.392 15.500 4.696 59 2HA GLY 8 HA1 GLY 8 -20.304 14.349 3.714 60 H SER 9 HN SER 9 -21.479 13.241 5.319 61 HA SER 9 HA SER 9 -20.331 12.523 7.899 62 1HB SER 9 HB2 SER 9 -22.493 11.486 8.235 63 2HB SER 9 HB1 SER 9 -22.753 12.985 7.347 64 HG SER 9 HG SER 9 -23.117 11.856 5.527 65 H HIS 10 HN HIS 10 -20.558 10.963 4.768 66 HA HIS 10 HA HIS 10 -20.214 8.230 5.527 67 1HB HIS 10 HB2 HIS 10 -19.599 9.906 3.099 68 2HB HIS 10 HB1 HIS 10 -19.173 8.195 3.132 69 HD1 HIS 10 HD1 HIS 10 -22.125 10.515 3.098 70 HD2 HIS 10 HD2 HIS 10 -21.393 6.411 3.104 71 HE1 HIS 10 HE1 HIS 10 -24.333 9.393 2.571 72 H LEU 11 HN LEU 11 -17.844 10.810 4.934 73 HA LEU 11 HA LEU 11 -15.462 9.253 4.921 74 1HB LEU 11 HB2 LEU 11 -15.665 11.621 4.278 75 2HB LEU 11 HB1 LEU 11 -16.015 12.062 5.946 76 HG LEU 11 HG LEU 11 -13.520 10.509 5.529 77 1HD1 LEU 11 HD11 LEU 11 -13.972 12.521 3.705 78 2HD1 LEU 11 HD12 LEU 11 -12.378 12.003 4.246 79 3HD1 LEU 11 HD13 LEU 11 -13.157 13.392 5.002 80 1HD2 LEU 11 HD21 LEU 11 -14.103 13.088 7.022 81 2HD2 LEU 11 HD22 LEU 11 -12.707 12.035 7.241 82 3HD2 LEU 11 HD23 LEU 11 -14.311 11.482 7.718 83 H VAL 12 HN VAL 12 -17.015 10.930 7.700 84 HA VAL 12 HA VAL 12 -15.142 10.043 9.676 85 HB VAL 12 HB VAL 12 -18.058 10.878 9.792 86 1HG1 VAL 12 HG11 VAL 12 -17.484 11.431 12.214 87 2HG1 VAL 12 HG12 VAL 12 -16.041 10.438 12.009 88 3HG1 VAL 12 HG13 VAL 12 -17.641 9.713 11.848 89 1HG2 VAL 12 HG21 VAL 12 -15.587 12.449 10.547 90 2HG2 VAL 12 HG22 VAL 12 -17.217 13.059 10.264 91 3HG2 VAL 12 HG23 VAL 12 -16.250 12.467 8.913 92 H GLU 13 HN GLU 13 -18.324 8.739 8.742 93 HA GLU 13 HA GLU 13 -18.413 6.555 10.548 94 1HB GLU 13 HB2 GLU 13 -19.541 7.026 7.780 95 2HB GLU 13 HB1 GLU 13 -20.005 5.647 8.777 96 1HG GLU 13 HG2 GLU 13 -20.748 7.182 10.561 97 2HG GLU 13 HG1 GLU 13 -20.287 8.563 9.568 98 H ALA 14 HN ALA 14 -17.087 6.749 7.255 99 HA ALA 14 HA ALA 14 -16.395 3.992 6.973 100 1HB ALA 14 HB1 ALA 14 -16.579 5.520 5.097 101 2HB ALA 14 HB2 ALA 14 -14.922 4.919 5.156 102 3HB ALA 14 HB3 ALA 14 -15.295 6.537 5.751 103 H LEU 15 HN LEU 15 -14.512 6.783 8.156 104 HA LEU 15 HA LEU 15 -11.982 5.505 8.421 105 1HB LEU 15 HB2 LEU 15 -13.358 7.751 9.917 106 2HB LEU 15 HB1 LEU 15 -11.655 7.352 10.147 107 HG LEU 15 HG LEU 15 -12.847 7.933 7.426 108 1HD1 LEU 15 HD11 LEU 15 -11.990 10.192 7.629 109 2HD1 LEU 15 HD12 LEU 15 -11.299 9.834 9.211 110 3HD1 LEU 15 HD13 LEU 15 -13.050 9.887 9.005 111 1HD2 LEU 15 HD21 LEU 15 -10.350 8.458 7.035 112 2HD2 LEU 15 HD22 LEU 15 -10.794 6.761 7.211 113 3HD2 LEU 15 HD23 LEU 15 -10.065 7.627 8.564 114 H TYR 16 HN TYR 16 -14.557 5.909 10.888 115 HA TYR 16 HA TYR 16 -13.255 4.532 13.014 116 1HB TYR 16 HB2 TYR 16 -16.043 5.251 12.224 117 2HB TYR 16 HB1 TYR 16 -15.848 4.084 13.530 118 HD1 TYR 16 HD1 TYR 16 -14.786 4.701 15.633 119 HD2 TYR 16 HD2 TYR 16 -15.263 7.565 12.470 120 HE1 TYR 16 HE1 TYR 16 -14.277 6.536 17.219 121 HE2 TYR 16 HE2 TYR 16 -14.753 9.402 14.056 122 HH TYR 16 HH TYR 16 -15.015 9.586 16.795 123 H LEU 17 HN LEU 17 -15.604 3.274 10.629 124 HA LEU 17 HA LEU 17 -15.574 0.584 11.582 125 1HB LEU 17 HB2 LEU 17 -16.314 1.869 8.973 126 2HB LEU 17 HB1 LEU 17 -16.660 0.184 9.340 127 HG LEU 17 HG LEU 17 -17.532 2.435 11.160 128 1HD1 LEU 17 HD11 LEU 17 -18.461 2.673 8.810 129 2HD1 LEU 17 HD12 LEU 17 -19.675 2.454 10.070 130 3HD1 LEU 17 HD13 LEU 17 -19.226 1.100 9.033 131 1HD2 LEU 17 HD21 LEU 17 -18.799 -0.277 10.768 132 2HD2 LEU 17 HD22 LEU 17 -18.918 0.802 12.158 133 3HD2 LEU 17 HD23 LEU 17 -17.419 -0.071 11.846 134 H VAL 18 HN VAL 18 -13.728 2.163 8.963 135 HA VAL 18 HA VAL 18 -12.480 -0.285 8.046 136 HB VAL 18 HB VAL 18 -11.761 2.623 7.729 137 1HG1 VAL 18 HG11 VAL 18 -10.892 0.209 6.115 138 2HG1 VAL 18 HG12 VAL 18 -9.860 1.130 7.209 139 3HG1 VAL 18 HG13 VAL 18 -10.491 1.887 5.747 140 1HG2 VAL 18 HG21 VAL 18 -13.181 2.687 5.898 141 2HG2 VAL 18 HG22 VAL 18 -14.051 1.541 6.917 142 3HG2 VAL 18 HG23 VAL 18 -13.034 0.954 5.602 143 H CYS 19 HN CYS 19 -11.101 2.518 9.766 144 HA CYS 19 HA CYS 19 -8.710 1.033 10.541 145 1HB CYS 19 HB2 CYS 19 -9.845 3.745 11.170 146 2HB CYS 19 HB1 CYS 19 -8.272 3.211 11.753 147 H GLY 20 HN GLY 20 -11.184 2.705 12.521 148 1HA GLY 20 HA2 GLY 20 -12.168 2.097 14.554 149 2HA GLY 20 HA1 GLY 20 -11.621 0.454 14.247 150 H GLU 21 HN GLU 21 -9.380 3.159 14.336 151 HA GLU 21 HA GLU 21 -8.453 2.307 17.027 152 1HB GLU 21 HB2 GLU 21 -6.874 2.573 14.462 153 2HB GLU 21 HB1 GLU 21 -6.109 2.474 16.048 154 1HG GLU 21 HG2 GLU 21 -7.220 0.308 16.453 155 2HG GLU 21 HG1 GLU 21 -7.985 0.403 14.868 156 H ARG 22 HN ARG 22 -7.263 3.963 18.167 157 HA ARG 22 HA ARG 22 -7.878 6.701 17.231 158 1HB ARG 22 HB2 ARG 22 -7.171 5.456 19.892 159 2HB ARG 22 HB1 ARG 22 -7.343 7.198 19.669 160 1HG ARG 22 HG2 ARG 22 -9.642 6.872 18.842 161 2HG ARG 22 HG1 ARG 22 -9.477 5.131 19.067 162 1HD ARG 22 HD2 ARG 22 -9.107 5.485 21.498 163 2HD ARG 22 HD1 ARG 22 -9.333 7.231 21.260 164 HE ARG 22 HE ARG 22 -11.588 6.366 20.120 165 1HH1 ARG 22 HH11 ARG 22 -11.522 7.122 23.074 166 2HH1 ARG 22 HH12 ARG 22 -12.290 5.743 23.787 167 1HH2 ARG 22 HH21 ARG 22 -11.921 3.750 20.973 168 2HH2 ARG 22 HH22 ARG 22 -12.516 3.833 22.598 169 H GLY 23 HN GLY 23 -5.357 4.721 16.725 170 1HA GLY 23 HA2 GLY 23 -3.067 6.046 17.769 171 2HA GLY 23 HA1 GLY 23 -3.075 5.061 16.305 172 H PHE 24 HN PHE 24 -4.762 6.492 14.654 173 HA PHE 24 HA PHE 24 -3.059 8.749 13.905 174 1HB PHE 24 HB2 PHE 24 -4.523 8.831 11.938 175 2HB PHE 24 HB1 PHE 24 -4.065 7.167 12.273 176 HD1 PHE 24 HD1 PHE 24 -6.817 9.626 12.354 177 HD2 PHE 24 HD2 PHE 24 -5.699 5.540 13.069 178 HE1 PHE 24 HE1 PHE 24 -9.211 8.982 12.433 179 HE2 PHE 24 HE2 PHE 24 -8.091 4.901 13.157 180 HZ PHE 24 HZ PHE 24 -9.847 6.620 12.838 181 H PHE 25 HN PHE 25 -3.355 10.793 14.604 182 HA PHE 25 HA PHE 25 -5.686 11.510 16.199 183 1HB PHE 25 HB2 PHE 25 -4.419 13.678 16.434 184 2HB PHE 25 HB1 PHE 25 -3.515 12.250 16.924 185 HD1 PHE 25 HD1 PHE 25 -1.449 11.729 15.932 186 HD2 PHE 25 HD2 PHE 25 -4.044 14.585 14.045 187 HE1 PHE 25 HE1 PHE 25 0.347 12.291 14.319 188 HE2 PHE 25 HE2 PHE 25 -2.245 15.148 12.431 189 HZ PHE 25 HZ PHE 25 -0.051 14.001 12.568 190 H TYR 26 HN TYR 26 -4.831 11.821 12.868 191 HA TYR 26 HA TYR 26 -5.824 13.009 11.077 192 1HB TYR 26 HB2 TYR 26 -7.655 11.571 12.376 193 2HB TYR 26 HB1 TYR 26 -8.316 13.168 12.727 194 HD1 TYR 26 HD1 TYR 26 -8.326 14.820 10.609 195 HD2 TYR 26 HD2 TYR 26 -8.354 10.529 10.417 196 HE1 TYR 26 HE1 TYR 26 -9.285 14.931 8.327 197 HE2 TYR 26 HE2 TYR 26 -9.316 10.638 8.134 198 HH TYR 26 HH TYR 26 -10.762 12.423 6.836 199 H THR 27 HN THR 27 -4.416 14.925 11.866 200 HA THR 27 HA THR 27 -6.152 17.278 12.245 201 HB THR 27 HB THR 27 -3.819 16.684 14.082 202 HG1 THR 27 HG1 THR 27 -6.591 16.201 14.405 203 1HG2 THR 27 HG21 THR 27 -6.113 18.659 14.209 204 2HG2 THR 27 HG22 THR 27 -4.415 19.042 13.927 205 3HG2 THR 27 HG23 THR 27 -4.930 18.411 15.492 206 HA PRO 28 HA PRO 28 -3.086 18.870 9.471 207 1HB PRO 28 HB2 PRO 28 -3.420 21.565 9.871 208 2HB PRO 28 HB1 PRO 28 -4.540 20.575 8.913 209 1HG PRO 28 HG2 PRO 28 -4.776 21.498 11.739 210 2HG PRO 28 HG1 PRO 28 -6.010 21.425 10.469 211 1HD PRO 28 HD2 PRO 28 -5.843 19.571 12.418 212 2HD PRO 28 HD1 PRO 28 -6.386 19.172 10.775 213 H LYS 29 HN LYS 29 -1.400 20.996 9.765 214 HA LYS 29 HA LYS 29 0.484 20.064 11.716 215 1HB LYS 29 HB2 LYS 29 1.879 21.826 10.813 216 2HB LYS 29 HB1 LYS 29 0.965 21.111 9.489 217 1HG LYS 29 HG2 LYS 29 -0.721 22.973 9.755 218 2HG LYS 29 HG1 LYS 29 0.385 23.728 10.904 219 1HD LYS 29 HD2 LYS 29 2.165 23.630 9.102 220 2HD LYS 29 HD1 LYS 29 0.896 23.140 7.978 221 1HE LYS 29 HE2 LYS 29 -0.356 25.273 8.898 222 2HE LYS 29 HE1 LYS 29 1.280 25.786 9.353 223 1HZ LYS 29 HZ1 LYS 29 0.975 26.498 7.138 224 2HZ LYS 29 HZ2 LYS 29 0.299 25.014 6.662 225 3HZ LYS 29 HZ3 LYS 29 1.954 25.117 7.036 226 H THR 30 HN THR 30 -1.784 22.816 11.724 227 HA THR 30 HA THR 30 -1.499 23.036 14.625 228 HB THR 30 HB THR 30 -0.549 25.203 12.725 229 HG1 THR 30 HG1 THR 30 1.390 24.639 13.369 230 1HG2 THR 30 HG21 THR 30 -1.664 26.334 14.513 231 2HG2 THR 30 HG22 THR 30 0.055 26.386 14.898 232 3HG2 THR 30 HG23 THR 30 -0.998 25.231 15.716 233 H ARG 31 HN ARG 31 -2.431 25.721 12.491 234 HA ARG 31 HA ARG 31 -4.491 26.838 12.258 235 1HB ARG 31 HB2 ARG 31 -5.226 23.912 12.289 236 2HB ARG 31 HB1 ARG 31 -6.409 25.176 11.951 237 1HG ARG 31 HG2 ARG 31 -3.798 25.082 10.453 238 2HG ARG 31 HG1 ARG 31 -5.168 24.096 9.938 239 1HD ARG 31 HD2 ARG 31 -6.574 26.081 9.697 240 2HD ARG 31 HD1 ARG 31 -5.280 27.108 10.343 241 HE ARG 31 HE ARG 31 -4.250 27.007 8.224 242 1HH1 ARG 31 HH11 ARG 31 -6.922 26.190 7.046 243 2HH1 ARG 31 HH12 ARG 31 -6.490 24.756 6.176 244 1HH2 ARG 31 HH21 ARG 31 -3.459 24.359 7.812 245 2HH2 ARG 31 HH22 ARG 31 -4.529 23.719 6.610 246 H ARG 32 HN ARG 32 -3.563 26.667 14.985 247 HA ARG 32 HA ARG 32 -5.832 25.956 16.675 248 1HB ARG 32 HB2 ARG 32 -3.138 27.254 17.090 249 2HB ARG 32 HB1 ARG 32 -4.288 27.035 18.411 250 1HG ARG 32 HG2 ARG 32 -3.379 24.766 16.625 251 2HG ARG 32 HG1 ARG 32 -2.595 25.167 18.150 252 1HD ARG 32 HD2 ARG 32 -4.824 24.917 19.299 253 2HD ARG 32 HD1 ARG 32 -5.482 24.319 17.764 254 HE ARG 32 HE ARG 32 -4.039 22.386 17.934 255 1HH1 ARG 32 HH21 ARG 32 -5.098 22.920 20.829 256 2HH1 ARG 32 HH22 ARG 32 -3.658 22.586 21.732 257 1HH2 ARG 32 HH11 ARG 32 -1.576 22.688 18.962 258 2HH2 ARG 32 HH12 ARG 32 -1.666 22.456 20.676 259 H TYR 33 HN TYR 33 -7.355 27.436 15.470 260 HA TYR 33 HA TYR 33 -7.356 30.148 16.686 261 1HB TYR 33 HB2 TYR 33 -7.261 29.377 13.770 262 2HB TYR 33 HB1 TYR 33 -7.953 30.912 14.276 263 HD1 TYR 33 HD1 TYR 33 -6.441 32.223 16.084 264 HD2 TYR 33 HD2 TYR 33 -5.004 29.349 13.234 265 HE1 TYR 33 HE1 TYR 33 -4.164 33.189 16.258 266 HE2 TYR 33 HE2 TYR 33 -2.726 30.312 13.408 267 HH TYR 33 HH TYR 33 -2.018 33.042 15.596 268 HA PRO 34 HA PRO 34 -11.669 29.101 16.736 269 1HB PRO 34 HB2 PRO 34 -12.720 31.530 17.407 270 2HB PRO 34 HB1 PRO 34 -11.835 30.512 18.558 271 1HG PRO 34 HG2 PRO 34 -10.994 32.984 17.207 272 2HG PRO 34 HG1 PRO 34 -10.445 32.286 18.734 273 1HD PRO 34 HD2 PRO 34 -9.118 32.189 16.239 274 2HD PRO 34 HD1 PRO 34 -8.671 31.329 17.727 275 H GLY 35 HN GLY 35 -13.340 29.064 15.225 276 1HA GLY 35 HA2 GLY 35 -14.745 29.903 13.487 277 2HA GLY 35 HA1 GLY 35 -13.681 31.298 13.330 278 H ASP 36 HN ASP 36 -12.189 28.150 13.369 279 HA ASP 36 HA ASP 36 -11.141 28.558 10.671 280 1HB ASP 36 HB2 ASP 36 -10.961 26.348 12.738 281 2HB ASP 36 HB1 ASP 36 -10.102 26.294 11.200 282 H VAL 37 HN VAL 37 -11.588 27.232 8.845 283 HA VAL 37 HA VAL 37 -13.672 25.165 8.969 284 HB VAL 37 HB VAL 37 -13.974 27.755 7.398 285 1HG1 VAL 37 HG11 VAL 37 -16.308 26.711 6.978 286 2HG1 VAL 37 HG12 VAL 37 -15.554 25.185 7.438 287 3HG1 VAL 37 HG13 VAL 37 -14.951 26.081 6.045 288 1HG2 VAL 37 HG21 VAL 37 -14.582 28.201 9.663 289 2HG2 VAL 37 HG22 VAL 37 -15.391 26.643 9.829 290 3HG2 VAL 37 HG23 VAL 37 -16.102 27.902 8.820 291 H LYS 38 HN LYS 38 -11.342 24.321 8.341 292 HA LYS 38 HA LYS 38 -11.310 23.908 5.422 293 1HB LYS 38 HB2 LYS 38 -10.166 26.073 5.764 294 2HB LYS 38 HB1 LYS 38 -9.076 25.317 6.925 295 1HG LYS 38 HG2 LYS 38 -7.954 25.469 4.771 296 2HG LYS 38 HG1 LYS 38 -8.296 23.774 5.120 297 1HD LYS 38 HD2 LYS 38 -10.199 23.772 3.649 298 2HD LYS 38 HD1 LYS 38 -10.119 25.524 3.453 299 1HE LYS 38 HE2 LYS 38 -8.337 25.416 1.986 300 2HE LYS 38 HE1 LYS 38 -7.677 23.949 2.735 301 1HZ LYS 38 HZ1 LYS 38 -10.272 23.988 1.300 302 2HZ LYS 38 HZ2 LYS 38 -9.367 22.634 1.787 303 3HZ LYS 38 HZ3 LYS 38 -8.810 23.623 0.522 304 H ARG 39 HN ARG 39 -9.787 22.154 4.853 305 HA ARG 39 HA ARG 39 -8.364 20.772 7.019 306 1HB ARG 39 HB2 ARG 39 -10.780 19.649 5.571 307 2HB ARG 39 HB1 ARG 39 -9.660 18.643 6.486 308 1HG ARG 39 HG2 ARG 39 -10.118 20.101 8.496 309 2HG ARG 39 HG1 ARG 39 -11.381 20.895 7.557 310 1HD ARG 39 HD2 ARG 39 -12.505 19.188 8.800 311 2HD ARG 39 HD1 ARG 39 -12.340 18.531 7.161 312 HE ARG 39 HE ARG 39 -9.993 17.764 8.448 313 1HH1 ARG 39 HH11 ARG 39 -12.978 16.515 7.823 314 2HH1 ARG 39 HH12 ARG 39 -13.023 15.409 9.155 315 1HH2 ARG 39 HH21 ARG 39 -10.211 16.732 10.694 316 2HH2 ARG 39 HH22 ARG 39 -11.457 15.531 10.779 317 H GLY 40 HN GLY 40 -9.541 20.590 3.665 318 1HA GLY 40 HA2 GLY 40 -8.158 20.416 1.717 319 2HA GLY 40 HA1 GLY 40 -6.800 19.969 2.749 320 H ILE 41 HN ILE 41 -7.847 17.854 4.179 321 HA ILE 41 HA ILE 41 -7.581 15.652 2.377 322 HB ILE 41 HB ILE 41 -8.785 15.839 5.161 323 1HG1 ILE 41 HG12 ILE 41 -5.969 15.087 4.327 324 2HG1 ILE 41 HG11 ILE 41 -6.422 16.720 4.809 325 1HG2 ILE 41 HG21 ILE 41 -8.357 13.592 3.325 326 2HG2 ILE 41 HG22 ILE 41 -9.271 13.650 4.830 327 3HG2 ILE 41 HG23 ILE 41 -7.532 13.366 4.868 328 1HD1 ILE 41 HD11 ILE 41 -5.494 15.448 6.717 329 2HD1 ILE 41 HD12 ILE 41 -6.760 14.236 6.517 330 3HD1 ILE 41 HD13 ILE 41 -7.181 15.881 6.994 331 H VAL 42 HN VAL 42 -10.468 17.037 3.955 332 HA VAL 42 HA VAL 42 -12.402 15.264 2.835 333 HB VAL 42 HB VAL 42 -12.494 18.133 3.753 334 1HG1 VAL 42 HG11 VAL 42 -14.657 16.335 2.751 335 2HG1 VAL 42 HG12 VAL 42 -14.491 18.081 2.583 336 3HG1 VAL 42 HG13 VAL 42 -15.021 17.389 4.116 337 1HG2 VAL 42 HG21 VAL 42 -12.665 15.470 5.038 338 2HG2 VAL 42 HG22 VAL 42 -13.822 16.670 5.613 339 3HG2 VAL 42 HG23 VAL 42 -12.093 17.002 5.698 340 H GLU 43 HN GLU 43 -11.103 18.357 1.676 341 HA GLU 43 HA GLU 43 -12.700 18.655 -0.660 342 1HB GLU 43 HB2 GLU 43 -9.920 19.510 0.156 343 2HB GLU 43 HB1 GLU 43 -10.601 19.980 -1.400 344 1HG GLU 43 HG2 GLU 43 -11.255 21.778 -0.087 345 2HG GLU 43 HG1 GLU 43 -12.659 20.729 0.074 346 H GLN 44 HN GLN 44 -9.639 16.948 -0.119 347 HA GLN 44 HA GLN 44 -9.007 16.252 -2.802 348 1HB GLN 44 HB2 GLN 44 -7.547 16.069 -0.798 349 2HB GLN 44 HB1 GLN 44 -8.531 14.725 -0.222 350 1HG GLN 44 HG2 GLN 44 -7.964 13.431 -2.240 351 2HG GLN 44 HG1 GLN 44 -6.992 14.778 -2.834 352 1HE2 GLN 44 HE21 GLN 44 -6.179 11.954 -1.933 353 2HE2 GLN 44 HE22 GLN 44 -4.966 12.221 -0.777 354 H CYS 45 HN CYS 45 -10.928 14.412 -0.385 355 HA CYS 45 HA CYS 45 -11.517 12.268 -2.303 356 1HB CYS 45 HB2 CYS 45 -12.611 12.925 0.451 357 2HB CYS 45 HB1 CYS 45 -12.839 11.398 -0.394 358 H CYS 46 HN CYS 46 -13.139 15.176 -1.141 359 HA CYS 46 HA CYS 46 -15.805 14.531 -1.980 360 1HB CYS 46 HB2 CYS 46 -14.199 16.947 -1.298 361 2HB CYS 46 HB1 CYS 46 -15.708 17.220 -2.166 362 H THR 47 HN THR 47 -13.092 16.065 -3.700 363 HA THR 47 HA THR 47 -14.601 16.620 -6.126 364 HB THR 47 HB THR 47 -11.614 16.355 -5.640 365 HG1 THR 47 HG1 THR 47 -13.344 18.596 -5.459 366 1HG2 THR 47 HG21 THR 47 -13.250 17.757 -7.769 367 2HG2 THR 47 HG22 THR 47 -12.118 16.425 -8.005 368 3HG2 THR 47 HG23 THR 47 -11.522 18.016 -7.530 369 H SER 48 HN SER 48 -12.178 14.137 -5.246 370 HA SER 48 HA SER 48 -13.266 12.399 -7.438 371 1HB SER 48 HB2 SER 48 -10.407 12.948 -6.589 372 2HB SER 48 HB1 SER 48 -10.860 11.666 -7.708 373 HG SER 48 HG SER 48 -10.953 13.128 -9.200 374 H ILE 49 HN ILE 49 -12.924 10.057 -6.988 375 HA ILE 49 HA ILE 49 -13.522 9.375 -4.232 376 HB ILE 49 HB ILE 49 -12.756 7.682 -6.640 377 1HG1 ILE 49 HG12 ILE 49 -15.506 8.355 -5.553 378 2HG1 ILE 49 HG11 ILE 49 -14.749 9.219 -6.891 379 1HG2 ILE 49 HG21 ILE 49 -14.446 6.802 -4.304 380 2HG2 ILE 49 HG22 ILE 49 -12.690 6.666 -4.235 381 3HG2 ILE 49 HG23 ILE 49 -13.592 5.807 -5.483 382 1HD1 ILE 49 HD11 ILE 49 -15.917 7.623 -8.084 383 2HD1 ILE 49 HD12 ILE 49 -15.799 6.423 -6.797 384 3HD1 ILE 49 HD13 ILE 49 -14.405 6.752 -7.827 385 H CYS 50 HN CYS 50 -12.019 9.148 -2.630 386 HA CYS 50 HA CYS 50 -9.161 9.114 -3.164 387 1HB CYS 50 HB2 CYS 50 -10.997 8.975 -0.793 388 2HB CYS 50 HB1 CYS 50 -9.293 8.576 -0.570 389 H SER 51 HN SER 51 -7.772 7.355 -3.153 390 HA SER 51 HA SER 51 -8.932 4.692 -3.496 391 1HB SER 51 HB2 SER 51 -6.613 4.123 -4.035 392 2HB SER 51 HB1 SER 51 -7.040 5.643 -4.813 393 HG SER 51 HG SER 51 -5.214 5.108 -2.838 394 H LEU 52 HN LEU 52 -8.009 2.813 -2.282 395 HA LEU 52 HA LEU 52 -8.404 2.980 0.520 396 1HB LEU 52 HB2 LEU 52 -8.584 0.936 -0.854 397 2HB LEU 52 HB1 LEU 52 -6.847 0.977 -1.150 398 HG LEU 52 HG LEU 52 -6.458 0.779 1.306 399 1HD1 LEU 52 HD11 LEU 52 -9.408 1.038 1.283 400 2HD1 LEU 52 HD12 LEU 52 -8.250 1.464 2.543 401 3HD1 LEU 52 HD13 LEU 52 -8.779 -0.208 2.360 402 1HD2 LEU 52 HD21 LEU 52 -7.418 -1.613 1.468 403 2HD2 LEU 52 HD22 LEU 52 -6.335 -1.275 0.118 404 3HD2 LEU 52 HD23 LEU 52 -8.079 -1.323 -0.141 405 H TYR 53 HN TYR 53 -5.440 3.123 -1.421 406 HA TYR 53 HA TYR 53 -3.512 2.987 0.658 407 1HB TYR 53 HB2 TYR 53 -3.050 2.806 -1.746 408 2HB TYR 53 HB1 TYR 53 -3.492 4.494 -1.951 409 HD1 TYR 53 HD1 TYR 53 -2.050 6.296 -1.168 410 HD2 TYR 53 HD2 TYR 53 -0.959 2.179 -0.615 411 HE1 TYR 53 HE1 TYR 53 0.258 6.988 -0.585 412 HE2 TYR 53 HE2 TYR 53 1.351 2.871 -0.033 413 HH TYR 53 HH TYR 53 2.691 5.599 -0.758 414 H GLN 54 HN GLN 54 -5.276 5.815 -0.649 415 HA GLN 54 HA GLN 54 -3.854 7.788 0.899 416 1HB GLN 54 HB2 GLN 54 -6.615 7.679 -0.356 417 2HB GLN 54 HB1 GLN 54 -5.949 9.139 0.375 418 1HG GLN 54 HG2 GLN 54 -4.029 9.044 -1.172 419 2HG GLN 54 HG1 GLN 54 -4.694 7.585 -1.907 420 1HE2 GLN 54 HE21 GLN 54 -5.040 8.606 -3.998 421 2HE2 GLN 54 HE22 GLN 54 -6.234 9.791 -4.226 422 H LEU 55 HN LEU 55 -6.808 5.886 1.503 423 HA LEU 55 HA LEU 55 -7.576 7.114 3.969 424 1HB LEU 55 HB2 LEU 55 -7.893 4.304 2.871 425 2HB LEU 55 HB1 LEU 55 -8.760 4.910 4.282 426 HG LEU 55 HG LEU 55 -8.851 6.248 1.568 427 1HD1 LEU 55 HD11 LEU 55 -10.651 4.971 0.964 428 2HD1 LEU 55 HD12 LEU 55 -11.219 4.800 2.624 429 3HD1 LEU 55 HD13 LEU 55 -9.897 3.792 2.037 430 1HD2 LEU 55 HD21 LEU 55 -9.379 7.733 3.429 431 2HD2 LEU 55 HD22 LEU 55 -10.484 6.540 4.110 432 3HD2 LEU 55 HD23 LEU 55 -10.870 7.331 2.582 433 H GLU 56 HN GLU 56 -5.380 4.436 3.231 434 HA GLU 56 HA GLU 56 -4.763 3.609 5.893 435 1HB GLU 56 HB2 GLU 56 -3.212 3.616 3.288 436 2HB GLU 56 HB1 GLU 56 -2.640 2.798 4.742 437 1HG GLU 56 HG2 GLU 56 -4.709 1.452 4.804 438 2HG GLU 56 HG1 GLU 56 -5.283 2.266 3.350 439 H ASN 57 HN ASN 57 -3.364 6.139 3.824 440 HA ASN 57 HA ASN 57 -1.165 6.899 5.470 441 1HB ASN 57 HB2 ASN 57 -1.552 7.606 3.132 442 2HB ASN 57 HB1 ASN 57 -2.952 8.545 3.645 443 1HD2 ASN 57 HD21 ASN 57 -1.220 10.144 2.434 444 2HD2 ASN 57 HD22 ASN 57 -0.240 11.016 3.512 445 H TYR 58 HN TYR 58 -4.537 8.097 5.416 446 HA TYR 58 HA TYR 58 -4.276 10.082 7.447 447 1HB TYR 58 HB2 TYR 58 -6.624 8.288 6.768 448 2HB TYR 58 HB1 TYR 58 -6.711 9.818 7.625 449 HD1 TYR 58 HD1 TYR 58 -4.640 11.354 5.941 450 HD2 TYR 58 HD2 TYR 58 -7.930 8.811 4.862 451 HE1 TYR 58 HE1 TYR 58 -4.836 12.527 3.764 452 HE2 TYR 58 HE2 TYR 58 -8.118 9.977 2.685 453 HH TYR 58 HH TYR 58 -7.077 12.793 2.014 454 H CYS 59 HN CYS 59 -4.886 6.590 7.662 455 HA CYS 59 HA CYS 59 -5.219 6.709 10.587 456 1HB CYS 59 HB2 CYS 59 -5.442 4.687 8.390 457 2HB CYS 59 HB1 CYS 59 -5.283 4.117 10.052 458 H ASN 60 HN ASN 60 -2.528 6.745 8.597 459 HA ASN 60 HA ASN 60 -0.853 4.761 9.901 460 1HB ASN 60 HB2 ASN 60 -0.452 7.153 8.117 461 2HB ASN 60 HB1 ASN 60 0.943 6.348 8.830 462 1HD2 ASN 60 HD21 ASN 60 0.813 6.207 6.093 463 2HD2 ASN 60 HD22 ASN 60 0.330 4.662 5.582 Start of MODEL 12 1 1H PHE 1 HT1 PHE 1 -21.598 -2.186 -10.976 2 2H PHE 1 HT2 PHE 1 -22.149 -2.656 -9.440 3 3H PHE 1 HT3 PHE 1 -21.220 -3.726 -10.377 4 HA PHE 1 HA PHE 1 -19.853 -2.750 -8.629 5 1HB PHE 1 HB2 PHE 1 -19.121 -3.334 -11.020 6 2HB PHE 1 HB1 PHE 1 -19.191 -1.604 -11.353 7 HD1 PHE 1 HD1 PHE 1 -17.319 -4.288 -9.781 8 HD2 PHE 1 HD2 PHE 1 -17.749 -0.021 -10.023 9 HE1 PHE 1 HE1 PHE 1 -15.075 -4.005 -8.767 10 HE2 PHE 1 HE2 PHE 1 -15.503 0.262 -9.008 11 HZ PHE 1 HZ PHE 1 -14.166 -1.731 -8.380 12 H VAL 2 HN VAL 2 -20.046 -1.033 -7.222 13 HA VAL 2 HA VAL 2 -20.456 1.676 -8.347 14 HB VAL 2 HB VAL 2 -21.928 2.075 -6.396 15 1HG1 VAL 2 HG11 VAL 2 -23.750 1.201 -7.457 16 2HG1 VAL 2 HG12 VAL 2 -23.081 -0.430 -7.471 17 3HG1 VAL 2 HG13 VAL 2 -22.566 0.744 -8.681 18 1HG2 VAL 2 HG21 VAL 2 -22.603 0.174 -4.976 19 2HG2 VAL 2 HG22 VAL 2 -20.866 0.454 -4.857 20 3HG2 VAL 2 HG23 VAL 2 -21.480 -0.873 -5.843 21 H ASN 3 HN ASN 3 -19.604 3.393 -6.934 22 HA ASN 3 HA ASN 3 -17.792 2.625 -4.733 23 1HB ASN 3 HB2 ASN 3 -16.662 2.314 -7.040 24 2HB ASN 3 HB1 ASN 3 -16.710 4.073 -7.161 25 1HD2 ASN 3 HD21 ASN 3 -14.296 2.316 -6.879 26 2HD2 ASN 3 HD22 ASN 3 -13.513 2.839 -5.467 27 H GLN 4 HN GLN 4 -19.121 4.031 -3.497 28 HA GLN 4 HA GLN 4 -19.681 6.772 -4.336 29 1HB GLN 4 HB2 GLN 4 -19.941 5.394 -1.651 30 2HB GLN 4 HB1 GLN 4 -20.745 6.882 -2.130 31 1HG GLN 4 HG2 GLN 4 -21.944 5.672 -3.920 32 2HG GLN 4 HG1 GLN 4 -21.146 4.171 -3.443 33 1HE2 GLN 4 HE21 GLN 4 -23.237 6.766 -2.060 34 2HE2 GLN 4 HE22 GLN 4 -24.044 5.741 -0.975 35 H HIS 5 HN HIS 5 -18.957 8.646 -3.134 36 HA HIS 5 HA HIS 5 -16.096 8.598 -2.501 37 1HB HIS 5 HB2 HIS 5 -18.278 10.705 -2.513 38 2HB HIS 5 HB1 HIS 5 -16.591 11.069 -2.155 39 HD1 HIS 5 HD1 HIS 5 -17.983 12.237 -4.688 40 HD2 HIS 5 HD2 HIS 5 -15.722 8.739 -4.659 41 HE1 HIS 5 HE1 HIS 5 -17.203 11.869 -7.070 42 H LEU 6 HN LEU 6 -15.190 8.971 -0.413 43 HA LEU 6 HA LEU 6 -16.899 8.257 1.854 44 1HB LEU 6 HB2 LEU 6 -13.953 8.836 1.480 45 2HB LEU 6 HB1 LEU 6 -14.653 8.412 3.043 46 HG LEU 6 HG LEU 6 -14.905 6.715 0.546 47 1HD1 LEU 6 HD11 LEU 6 -13.340 5.193 1.904 48 2HD1 LEU 6 HD12 LEU 6 -12.992 6.619 2.882 49 3HD1 LEU 6 HD13 LEU 6 -12.609 6.616 1.161 50 1HD2 LEU 6 HD21 LEU 6 -16.649 5.948 1.823 51 2HD2 LEU 6 HD22 LEU 6 -15.972 6.595 3.318 52 3HD2 LEU 6 HD23 LEU 6 -15.363 5.076 2.659 53 H CYS 7 HN CYS 7 -18.253 10.121 2.020 54 HA CYS 7 HA CYS 7 -16.995 12.421 3.418 55 1HB CYS 7 HB2 CYS 7 -17.272 12.611 0.779 56 2HB CYS 7 HB1 CYS 7 -18.944 12.971 1.211 57 H GLY 8 HN GLY 8 -18.864 13.913 4.203 58 1HA GLY 8 HA2 GLY 8 -20.782 14.112 5.534 59 2HA GLY 8 HA1 GLY 8 -21.570 13.162 4.272 60 H SER 9 HN SER 9 -22.587 11.415 5.198 61 HA SER 9 HA SER 9 -21.836 10.361 7.806 62 1HB SER 9 HB2 SER 9 -23.705 9.356 5.640 63 2HB SER 9 HB1 SER 9 -23.676 8.772 7.302 64 HG SER 9 HG SER 9 -25.211 10.547 6.660 65 H HIS 10 HN HIS 10 -21.198 9.426 4.470 66 HA HIS 10 HA HIS 10 -20.346 6.729 4.920 67 1HB HIS 10 HB2 HIS 10 -19.746 8.821 2.821 68 2HB HIS 10 HB1 HIS 10 -19.172 7.158 2.693 69 HD1 HIS 10 HD1 HIS 10 -22.406 9.134 2.922 70 HD2 HIS 10 HD2 HIS 10 -21.103 5.319 1.861 71 HE1 HIS 10 HE1 HIS 10 -24.411 7.940 1.938 72 H LEU 11 HN LEU 11 -18.510 9.790 4.920 73 HA LEU 11 HA LEU 11 -15.888 8.694 5.082 74 1HB LEU 11 HB2 LEU 11 -16.443 11.045 4.634 75 2HB LEU 11 HB1 LEU 11 -17.058 11.233 6.272 76 HG LEU 11 HG LEU 11 -14.750 10.573 7.097 77 1HD1 LEU 11 HD11 LEU 11 -13.891 11.193 4.265 78 2HD1 LEU 11 HD12 LEU 11 -14.129 9.542 4.836 79 3HD1 LEU 11 HD13 LEU 11 -12.906 10.566 5.586 80 1HD2 LEU 11 HD21 LEU 11 -15.158 12.865 7.269 81 2HD2 LEU 11 HD22 LEU 11 -15.344 13.065 5.526 82 3HD2 LEU 11 HD23 LEU 11 -13.739 12.843 6.222 83 H VAL 12 HN VAL 12 -18.082 9.684 7.743 84 HA VAL 12 HA VAL 12 -16.335 8.983 9.895 85 HB VAL 12 HB VAL 12 -19.352 9.143 9.590 86 1HG1 VAL 12 HG11 VAL 12 -17.657 8.579 12.000 87 2HG1 VAL 12 HG12 VAL 12 -19.224 7.905 11.555 88 3HG1 VAL 12 HG13 VAL 12 -19.119 9.547 12.189 89 1HG2 VAL 12 HG21 VAL 12 -17.263 11.097 9.743 90 2HG2 VAL 12 HG22 VAL 12 -18.204 11.198 11.229 91 3HG2 VAL 12 HG23 VAL 12 -19.003 11.365 9.667 92 H GLU 13 HN GLU 13 -19.015 7.146 8.423 93 HA GLU 13 HA GLU 13 -18.738 4.763 9.937 94 1HB GLU 13 HB2 GLU 13 -19.743 5.357 7.147 95 2HB GLU 13 HB1 GLU 13 -19.937 3.781 7.917 96 1HG GLU 13 HG2 GLU 13 -21.229 4.741 9.716 97 2HG GLU 13 HG1 GLU 13 -20.888 6.377 9.154 98 H ALA 14 HN ALA 14 -17.339 5.611 6.775 99 HA ALA 14 HA ALA 14 -16.020 3.163 6.242 100 1HB ALA 14 HB1 ALA 14 -14.577 4.707 4.791 101 2HB ALA 14 HB2 ALA 14 -15.516 6.038 5.467 102 3HB ALA 14 HB3 ALA 14 -16.318 4.783 4.522 103 H LEU 15 HN LEU 15 -14.706 6.114 7.805 104 HA LEU 15 HA LEU 15 -12.055 5.159 8.179 105 1HB LEU 15 HB2 LEU 15 -13.781 7.094 9.752 106 2HB LEU 15 HB1 LEU 15 -12.042 6.924 9.990 107 HG LEU 15 HG LEU 15 -13.282 7.547 7.297 108 1HD1 LEU 15 HD11 LEU 15 -11.954 9.525 9.159 109 2HD1 LEU 15 HD12 LEU 15 -13.702 9.293 9.125 110 3HD1 LEU 15 HD13 LEU 15 -12.860 9.862 7.684 111 1HD2 LEU 15 HD21 LEU 15 -10.471 8.080 8.286 112 2HD2 LEU 15 HD22 LEU 15 -11.054 8.070 6.622 113 3HD2 LEU 15 HD23 LEU 15 -10.911 6.559 7.513 114 H TYR 16 HN TYR 16 -14.899 4.886 10.340 115 HA TYR 16 HA TYR 16 -13.548 3.615 12.523 116 1HB TYR 16 HB2 TYR 16 -16.367 3.755 11.483 117 2HB TYR 16 HB1 TYR 16 -15.994 2.699 12.844 118 HD1 TYR 16 HD1 TYR 16 -14.100 4.047 14.464 119 HD2 TYR 16 HD2 TYR 16 -17.336 5.750 12.208 120 HE1 TYR 16 HE1 TYR 16 -14.156 5.986 16.008 121 HE2 TYR 16 HE2 TYR 16 -17.389 7.690 13.753 122 HH TYR 16 HH TYR 16 -16.060 7.721 16.708 123 H LEU 17 HN LEU 17 -15.209 2.251 9.672 124 HA LEU 17 HA LEU 17 -14.868 -0.499 10.381 125 1HB LEU 17 HB2 LEU 17 -15.219 0.914 7.750 126 2HB LEU 17 HB1 LEU 17 -15.385 -0.822 7.956 127 HG LEU 17 HG LEU 17 -17.013 1.225 9.485 128 1HD1 LEU 17 HD11 LEU 17 -18.612 1.192 7.851 129 2HD1 LEU 17 HD12 LEU 17 -18.291 -0.489 7.427 130 3HD1 LEU 17 HD13 LEU 17 -17.248 0.792 6.808 131 1HD2 LEU 17 HD21 LEU 17 -16.788 -1.740 9.445 132 2HD2 LEU 17 HD22 LEU 17 -18.426 -1.090 9.512 133 3HD2 LEU 17 HD23 LEU 17 -17.257 -0.666 10.763 134 H VAL 18 HN VAL 18 -12.932 1.723 8.391 135 HA VAL 18 HA VAL 18 -10.977 -0.305 7.649 136 HB VAL 18 HB VAL 18 -11.054 2.696 7.433 137 1HG1 VAL 18 HG11 VAL 18 -8.756 2.051 7.219 138 2HG1 VAL 18 HG12 VAL 18 -9.361 2.264 5.576 139 3HG1 VAL 18 HG13 VAL 18 -9.180 0.643 6.245 140 1HG2 VAL 18 HG21 VAL 18 -11.744 0.460 5.513 141 2HG2 VAL 18 HG22 VAL 18 -11.629 2.157 5.046 142 3HG2 VAL 18 HG23 VAL 18 -12.858 1.641 6.201 143 H CYS 19 HN CYS 19 -10.568 2.737 9.473 144 HA CYS 19 HA CYS 19 -8.078 1.796 10.675 145 1HB CYS 19 HB2 CYS 19 -9.817 4.233 10.902 146 2HB CYS 19 HB1 CYS 19 -8.362 4.048 11.876 147 H GLY 20 HN GLY 20 -10.951 3.145 12.306 148 1HA GLY 20 HA2 GLY 20 -12.034 2.510 14.275 149 2HA GLY 20 HA1 GLY 20 -11.470 0.876 13.945 150 H GLU 21 HN GLU 21 -9.018 3.317 14.168 151 HA GLU 21 HA GLU 21 -8.310 2.309 16.877 152 1HB GLU 21 HB2 GLU 21 -6.856 1.707 14.869 153 2HB GLU 21 HB1 GLU 21 -6.448 3.421 14.764 154 1HG GLU 21 HG2 GLU 21 -5.643 3.341 17.122 155 2HG GLU 21 HG1 GLU 21 -5.984 1.617 17.160 156 H ARG 22 HN ARG 22 -7.756 3.854 18.432 157 HA ARG 22 HA ARG 22 -8.846 6.477 18.235 158 1HB ARG 22 HB2 ARG 22 -6.910 5.134 20.123 159 2HB ARG 22 HB1 ARG 22 -7.566 6.746 20.418 160 1HG ARG 22 HG2 ARG 22 -9.858 5.837 20.309 161 2HG ARG 22 HG1 ARG 22 -9.205 4.225 20.019 162 1HD ARG 22 HD2 ARG 22 -8.060 4.282 22.208 163 2HD ARG 22 HD1 ARG 22 -8.715 5.905 22.505 164 HE ARG 22 HE ARG 22 -10.486 3.532 22.036 165 1HH1 ARG 22 HH21 ARG 22 -11.280 6.564 22.220 166 2HH1 ARG 22 HH22 ARG 22 -11.964 6.586 23.812 167 1HH2 ARG 22 HH11 ARG 22 -10.650 3.503 24.705 168 2HH2 ARG 22 HH12 ARG 22 -11.607 4.853 25.218 169 H GLY 23 HN GLY 23 -5.707 5.270 17.352 170 1HA GLY 23 HA2 GLY 23 -4.048 7.501 17.662 171 2HA GLY 23 HA1 GLY 23 -3.863 6.321 16.372 172 H PHE 24 HN PHE 24 -6.695 7.147 15.405 173 HA PHE 24 HA PHE 24 -5.747 9.095 13.482 174 1HB PHE 24 HB2 PHE 24 -8.099 8.980 12.675 175 2HB PHE 24 HB1 PHE 24 -7.361 7.403 12.882 176 HD1 PHE 24 HD1 PHE 24 -9.973 6.987 12.643 177 HD2 PHE 24 HD2 PHE 24 -8.115 8.610 16.170 178 HE1 PHE 24 HE1 PHE 24 -11.912 6.274 14.007 179 HE2 PHE 24 HE2 PHE 24 -10.056 7.898 17.515 180 HZ PHE 24 HZ PHE 24 -11.956 6.729 16.440 181 H PHE 25 HN PHE 25 -5.100 10.822 15.087 182 HA PHE 25 HA PHE 25 -7.082 12.283 16.594 183 1HB PHE 25 HB2 PHE 25 -4.322 12.931 15.520 184 2HB PHE 25 HB1 PHE 25 -5.211 14.008 16.593 185 HD1 PHE 25 HD1 PHE 25 -6.386 12.457 18.634 186 HD2 PHE 25 HD2 PHE 25 -2.662 11.756 16.612 187 HE1 PHE 25 HE1 PHE 25 -5.564 11.169 20.590 188 HE2 PHE 25 HE2 PHE 25 -1.842 10.468 18.564 189 HZ PHE 25 HZ PHE 25 -3.293 10.174 20.553 190 H TYR 26 HN TYR 26 -5.612 12.649 13.394 191 HA TYR 26 HA TYR 26 -6.193 13.941 11.526 192 1HB TYR 26 HB2 TYR 26 -8.444 12.682 12.579 193 2HB TYR 26 HB1 TYR 26 -8.976 14.348 12.353 194 HD1 TYR 26 HD1 TYR 26 -8.594 11.232 10.758 195 HD2 TYR 26 HD2 TYR 26 -8.176 15.448 10.051 196 HE1 TYR 26 HE1 TYR 26 -8.771 10.840 8.315 197 HE2 TYR 26 HE2 TYR 26 -8.355 15.057 7.609 198 HH TYR 26 HH TYR 26 -9.465 13.145 6.131 199 H THR 27 HN THR 27 -5.562 15.328 14.237 200 HA THR 27 HA THR 27 -7.047 17.834 14.087 201 HB THR 27 HB THR 27 -4.582 16.987 15.640 202 HG1 THR 27 HG1 THR 27 -7.340 17.038 16.300 203 1HG2 THR 27 HG21 THR 27 -6.512 19.179 16.379 204 2HG2 THR 27 HG22 THR 27 -5.126 19.504 15.338 205 3HG2 THR 27 HG23 THR 27 -4.875 18.905 16.978 206 HA PRO 28 HA PRO 28 -4.312 19.585 11.033 207 1HB PRO 28 HB2 PRO 28 -4.873 22.237 11.415 208 2HB PRO 28 HB1 PRO 28 -5.964 21.129 10.558 209 1HG PRO 28 HG2 PRO 28 -6.077 22.090 13.380 210 2HG PRO 28 HG1 PRO 28 -7.390 21.881 12.209 211 1HD PRO 28 HD2 PRO 28 -6.904 20.090 14.172 212 2HD PRO 28 HD1 PRO 28 -7.543 19.615 12.582 213 H LYS 29 HN LYS 29 -2.548 21.356 10.972 214 HA LYS 29 HA LYS 29 -0.721 20.971 13.159 215 1HB LYS 29 HB2 LYS 29 -0.779 22.770 10.723 216 2HB LYS 29 HB1 LYS 29 0.608 22.678 11.809 217 1HG LYS 29 HG2 LYS 29 0.771 20.244 11.402 218 2HG LYS 29 HG1 LYS 29 -0.614 20.336 10.314 219 1HD LYS 29 HD2 LYS 29 0.631 21.884 8.849 220 2HD LYS 29 HD1 LYS 29 2.019 21.792 9.933 221 1HE LYS 29 HE2 LYS 29 2.428 20.233 8.122 222 2HE LYS 29 HE1 LYS 29 2.002 19.264 9.544 223 1HZ LYS 29 HZ1 LYS 29 0.762 18.808 7.356 224 2HZ LYS 29 HZ2 LYS 29 -0.094 20.235 7.696 225 3HZ LYS 29 HZ3 LYS 29 -0.148 18.927 8.781 226 H THR 30 HN THR 30 -3.148 23.388 12.450 227 HA THR 30 HA THR 30 -3.795 25.360 13.584 228 HB THR 30 HB THR 30 -2.527 23.741 15.819 229 HG1 THR 30 HG1 THR 30 -4.098 22.462 15.311 230 1HG2 THR 30 HG21 THR 30 -3.649 26.341 15.874 231 2HG2 THR 30 HG22 THR 30 -3.240 25.320 17.252 232 3HG2 THR 30 HG23 THR 30 -4.862 25.262 16.563 233 H ARG 31 HN ARG 31 -1.419 25.853 12.241 234 HA ARG 31 HA ARG 31 0.719 26.774 13.936 235 1HB ARG 31 HB2 ARG 31 -0.072 27.444 11.083 236 2HB ARG 31 HB1 ARG 31 1.497 27.808 11.805 237 1HG ARG 31 HG2 ARG 31 1.789 25.368 12.286 238 2HG ARG 31 HG1 ARG 31 0.285 25.053 11.422 239 1HD ARG 31 HD2 ARG 31 2.049 24.684 9.832 240 2HD ARG 31 HD1 ARG 31 1.368 26.271 9.423 241 HE ARG 31 HE ARG 31 3.308 26.909 11.265 242 1HH1 ARG 31 HH11 ARG 31 4.025 24.171 9.621 243 2HH1 ARG 31 HH12 ARG 31 5.329 24.815 8.681 244 1HH2 ARG 31 HH21 ARG 31 4.664 28.110 9.532 245 2HH2 ARG 31 HH22 ARG 31 5.692 27.046 8.632 246 H ARG 32 HN ARG 32 -2.083 28.403 12.426 247 HA ARG 32 HA ARG 32 -2.128 30.440 14.481 248 1HB ARG 32 HB2 ARG 32 -0.169 31.044 12.958 249 2HB ARG 32 HB1 ARG 32 -1.357 31.333 11.689 250 1HG ARG 32 HG2 ARG 32 -2.479 33.012 13.140 251 2HG ARG 32 HG1 ARG 32 -1.262 32.732 14.381 252 1HD ARG 32 HD2 ARG 32 0.507 33.516 12.868 253 2HD ARG 32 HD1 ARG 32 -0.684 33.740 11.572 254 HE ARG 32 HE ARG 32 -1.558 35.122 13.940 255 1HH1 ARG 32 HH11 ARG 32 1.182 36.133 13.992 256 2HH1 ARG 32 HH12 ARG 32 1.148 37.455 12.874 257 1HH2 ARG 32 HH21 ARG 32 -1.806 36.449 11.363 258 2HH2 ARG 32 HH22 ARG 32 -0.544 37.635 11.387 259 H TYR 33 HN TYR 33 -3.988 28.543 13.078 260 HA TYR 33 HA TYR 33 -6.169 30.462 12.594 261 1HB TYR 33 HB2 TYR 33 -4.543 29.334 10.481 262 2HB TYR 33 HB1 TYR 33 -6.210 28.798 10.310 263 HD1 TYR 33 HD1 TYR 33 -7.933 30.866 11.030 264 HD2 TYR 33 HD2 TYR 33 -4.050 31.233 9.232 265 HE1 TYR 33 HE1 TYR 33 -8.564 33.085 10.122 266 HE2 TYR 33 HE2 TYR 33 -4.680 33.453 8.323 267 HH TYR 33 HH TYR 33 -7.021 34.583 7.700 268 HA PRO 34 HA PRO 34 -7.586 26.366 14.177 269 1HB PRO 34 HB2 PRO 34 -8.966 27.297 16.343 270 2HB PRO 34 HB1 PRO 34 -7.229 26.939 16.393 271 1HG PRO 34 HG2 PRO 34 -8.617 29.544 16.270 272 2HG PRO 34 HG1 PRO 34 -7.065 29.122 17.004 273 1HD PRO 34 HD2 PRO 34 -7.424 30.413 14.554 274 2HD PRO 34 HD1 PRO 34 -5.925 29.653 15.126 275 H GLY 35 HN GLY 35 -8.761 27.207 11.991 276 1HA GLY 35 HA2 GLY 35 -11.414 28.357 12.381 277 2HA GLY 35 HA1 GLY 35 -10.754 27.771 10.858 278 H ASP 36 HN ASP 36 -10.104 25.111 12.158 279 HA ASP 36 HA ASP 36 -11.155 22.993 12.277 280 1HB ASP 36 HB2 ASP 36 -13.000 24.885 13.739 281 2HB ASP 36 HB1 ASP 36 -13.381 23.168 13.620 282 H VAL 37 HN VAL 37 -13.564 21.989 11.883 283 HA VAL 37 HA VAL 37 -15.183 21.458 10.267 284 HB VAL 37 HB VAL 37 -15.125 24.484 10.011 285 1HG1 VAL 37 HG11 VAL 37 -17.546 24.084 9.296 286 2HG1 VAL 37 HG12 VAL 37 -17.104 22.390 9.087 287 3HG1 VAL 37 HG13 VAL 37 -16.316 23.632 8.115 288 1HG2 VAL 37 HG21 VAL 37 -17.160 24.207 11.533 289 2HG2 VAL 37 HG22 VAL 37 -15.594 23.883 12.276 290 3HG2 VAL 37 HG23 VAL 37 -16.628 22.544 11.778 291 H LYS 38 HN LYS 38 -13.908 24.279 8.493 292 HA LYS 38 HA LYS 38 -13.577 22.690 6.067 293 1HB LYS 38 HB2 LYS 38 -14.323 25.018 6.036 294 2HB LYS 38 HB1 LYS 38 -12.860 25.534 6.869 295 1HG LYS 38 HG2 LYS 38 -12.691 26.009 4.463 296 2HG LYS 38 HG1 LYS 38 -11.505 24.795 4.929 297 1HD LYS 38 HD2 LYS 38 -12.876 23.015 4.044 298 2HD LYS 38 HD1 LYS 38 -14.217 24.127 3.760 299 1HE LYS 38 HE2 LYS 38 -11.649 24.914 2.494 300 2HE LYS 38 HE1 LYS 38 -12.420 23.464 1.826 301 1HZ LYS 38 HZ1 LYS 38 -14.471 24.643 1.581 302 2HZ LYS 38 HZ2 LYS 38 -13.253 25.564 0.835 303 3HZ LYS 38 HZ3 LYS 38 -13.847 26.013 2.363 304 H ARG 39 HN ARG 39 -12.000 21.114 6.992 305 HA ARG 39 HA ARG 39 -9.369 21.990 7.825 306 1HB ARG 39 HB2 ARG 39 -10.607 19.346 7.014 307 2HB ARG 39 HB1 ARG 39 -8.941 19.485 7.585 308 1HG ARG 39 HG2 ARG 39 -9.739 20.531 9.674 309 2HG ARG 39 HG1 ARG 39 -11.401 20.392 9.110 310 1HD ARG 39 HD2 ARG 39 -11.082 17.890 8.984 311 2HD ARG 39 HD1 ARG 39 -9.501 18.115 9.761 312 HE ARG 39 HE ARG 39 -11.622 19.503 11.192 313 1HH1 ARG 39 HH21 ARG 39 -9.416 18.291 12.679 314 2HH1 ARG 39 HH22 ARG 39 -10.121 16.857 13.345 315 1HH2 ARG 39 HH11 ARG 39 -12.836 16.868 11.189 316 2HH2 ARG 39 HH12 ARG 39 -12.057 16.051 12.503 317 H GLY 40 HN GLY 40 -10.869 20.958 4.815 318 1HA GLY 40 HA2 GLY 40 -10.076 21.773 2.668 319 2HA GLY 40 HA1 GLY 40 -8.455 21.894 3.351 320 H ILE 41 HN ILE 41 -8.015 19.446 4.438 321 HA ILE 41 HA ILE 41 -7.509 17.801 2.118 322 HB ILE 41 HB ILE 41 -6.549 16.274 3.802 323 1HG1 ILE 41 HG12 ILE 41 -7.682 18.170 5.882 324 2HG1 ILE 41 HG11 ILE 41 -8.397 16.606 5.490 325 1HG2 ILE 41 HG21 ILE 41 -5.642 18.731 3.165 326 2HG2 ILE 41 HG22 ILE 41 -4.783 17.656 4.267 327 3HG2 ILE 41 HG23 ILE 41 -5.815 18.934 4.908 328 1HD1 ILE 41 HD11 ILE 41 -5.551 17.030 6.444 329 2HD1 ILE 41 HD12 ILE 41 -6.306 15.475 6.097 330 3HD1 ILE 41 HD13 ILE 41 -6.882 16.453 7.447 331 H VAL 42 HN VAL 42 -10.010 17.794 4.611 332 HA VAL 42 HA VAL 42 -11.069 15.181 4.191 333 HB VAL 42 HB VAL 42 -12.260 17.801 5.071 334 1HG1 VAL 42 HG11 VAL 42 -14.116 16.437 4.286 335 2HG1 VAL 42 HG12 VAL 42 -14.112 16.423 6.049 336 3HG1 VAL 42 HG13 VAL 42 -13.492 15.035 5.156 337 1HG2 VAL 42 HG21 VAL 42 -12.219 16.292 7.266 338 2HG2 VAL 42 HG22 VAL 42 -10.793 17.190 6.745 339 3HG2 VAL 42 HG23 VAL 42 -10.936 15.471 6.378 340 H GLU 43 HN GLU 43 -11.851 18.282 2.617 341 HA GLU 43 HA GLU 43 -13.941 17.322 0.926 342 1HB GLU 43 HB2 GLU 43 -11.948 19.586 0.693 343 2HB GLU 43 HB1 GLU 43 -13.294 19.377 -0.426 344 1HG GLU 43 HG2 GLU 43 -14.884 19.494 1.461 345 2HG GLU 43 HG1 GLU 43 -13.538 19.705 2.579 346 H GLN 44 HN GLN 44 -10.467 16.994 0.688 347 HA GLN 44 HA GLN 44 -10.137 16.671 -2.115 348 1HB GLN 44 HB2 GLN 44 -8.340 16.914 -0.429 349 2HB GLN 44 HB1 GLN 44 -8.711 15.305 0.190 350 1HG GLN 44 HG2 GLN 44 -8.145 14.310 -1.978 351 2HG GLN 44 HG1 GLN 44 -7.839 15.911 -2.651 352 1HE2 GLN 44 HE21 GLN 44 -5.843 13.754 -2.426 353 2HE2 GLN 44 HE22 GLN 44 -4.615 14.332 -1.407 354 H CYS 45 HN CYS 45 -10.982 14.200 0.360 355 HA CYS 45 HA CYS 45 -11.102 12.068 -1.655 356 1HB CYS 45 HB2 CYS 45 -11.737 12.330 1.287 357 2HB CYS 45 HB1 CYS 45 -12.088 10.846 0.406 358 H CYS 46 HN CYS 46 -13.314 14.422 -0.374 359 HA CYS 46 HA CYS 46 -15.784 12.988 -0.806 360 1HB CYS 46 HB2 CYS 46 -15.072 15.933 -0.704 361 2HB CYS 46 HB1 CYS 46 -16.721 15.310 -0.657 362 H THR 47 HN THR 47 -13.845 15.166 -2.851 363 HA THR 47 HA THR 47 -15.789 15.305 -5.004 364 HB THR 47 HB THR 47 -13.879 16.381 -6.175 365 HG1 THR 47 HG1 THR 47 -11.893 16.277 -5.351 366 1HG2 THR 47 HG21 THR 47 -14.738 17.099 -3.425 367 2HG2 THR 47 HG22 THR 47 -14.853 18.027 -4.920 368 3HG2 THR 47 HG23 THR 47 -13.322 17.946 -4.048 369 H SER 48 HN SER 48 -13.262 13.024 -4.172 370 HA SER 48 HA SER 48 -13.895 11.492 -6.664 371 1HB SER 48 HB2 SER 48 -11.113 12.007 -5.571 372 2HB SER 48 HB1 SER 48 -11.520 11.188 -7.077 373 HG SER 48 HG SER 48 -12.156 13.083 -7.943 374 H ILE 49 HN ILE 49 -11.965 9.462 -6.163 375 HA ILE 49 HA ILE 49 -13.043 8.250 -3.638 376 HB ILE 49 HB ILE 49 -12.059 6.998 -6.231 377 1HG1 ILE 49 HG12 ILE 49 -14.871 7.010 -5.121 378 2HG1 ILE 49 HG11 ILE 49 -14.297 8.281 -6.201 379 1HG2 ILE 49 HG21 ILE 49 -13.345 4.997 -5.076 380 2HG2 ILE 49 HG22 ILE 49 -12.966 5.881 -3.598 381 3HG2 ILE 49 HG23 ILE 49 -11.666 5.330 -4.654 382 1HD1 ILE 49 HD11 ILE 49 -15.487 6.342 -7.341 383 2HD1 ILE 49 HD12 ILE 49 -14.112 5.337 -6.885 384 3HD1 ILE 49 HD13 ILE 49 -13.879 6.710 -7.966 385 H CYS 50 HN CYS 50 -11.514 7.910 -2.072 386 HA CYS 50 HA CYS 50 -8.649 8.225 -2.777 387 1HB CYS 50 HB2 CYS 50 -10.333 8.310 -0.277 388 2HB CYS 50 HB1 CYS 50 -8.576 8.183 -0.162 389 H SER 51 HN SER 51 -7.175 6.574 -2.600 390 HA SER 51 HA SER 51 -8.163 3.826 -2.492 391 1HB SER 51 HB2 SER 51 -5.770 3.354 -2.979 392 2HB SER 51 HB1 SER 51 -6.421 4.594 -4.046 393 HG SER 51 HG SER 51 -5.248 6.083 -3.047 394 H LEU 52 HN LEU 52 -7.027 2.192 -1.094 395 HA LEU 52 HA LEU 52 -7.310 2.716 1.679 396 1HB LEU 52 HB2 LEU 52 -7.347 0.486 0.560 397 2HB LEU 52 HB1 LEU 52 -5.612 0.627 0.272 398 HG LEU 52 HG LEU 52 -5.431 1.008 2.831 399 1HD1 LEU 52 HD11 LEU 52 -7.268 -0.142 4.092 400 2HD1 LEU 52 HD12 LEU 52 -8.190 -0.228 2.591 401 3HD1 LEU 52 HD13 LEU 52 -7.794 1.340 3.294 402 1HD2 LEU 52 HD21 LEU 52 -5.819 -1.486 1.281 403 2HD2 LEU 52 HD22 LEU 52 -5.971 -1.667 3.029 404 3HD2 LEU 52 HD23 LEU 52 -4.488 -1.012 2.336 405 H TYR 53 HN TYR 53 -4.459 2.798 -0.438 406 HA TYR 53 HA TYR 53 -2.403 3.108 1.486 407 1HB TYR 53 HB2 TYR 53 -2.201 2.754 -0.991 408 2HB TYR 53 HB1 TYR 53 -2.656 4.439 -1.204 409 HD1 TYR 53 HD1 TYR 53 -1.204 6.263 -0.249 410 HD2 TYR 53 HD2 TYR 53 0.007 2.144 -0.333 411 HE1 TYR 53 HE1 TYR 53 1.148 6.949 0.131 412 HE2 TYR 53 HE2 TYR 53 2.359 2.827 0.048 413 HH TYR 53 HH TYR 53 3.798 4.651 -0.045 414 H GLN 54 HN GLN 54 -4.457 5.570 -0.073 415 HA GLN 54 HA GLN 54 -3.251 7.843 1.239 416 1HB GLN 54 HB2 GLN 54 -5.950 7.300 -0.040 417 2HB GLN 54 HB1 GLN 54 -5.458 8.901 0.515 418 1HG GLN 54 HG2 GLN 54 -3.592 8.939 -1.011 419 2HG GLN 54 HG1 GLN 54 -3.841 7.247 -1.441 420 1HE2 GLN 54 HE21 GLN 54 -3.959 9.732 -3.186 421 2HE2 GLN 54 HE22 GLN 54 -5.489 9.676 -3.918 422 H LEU 55 HN LEU 55 -6.006 5.719 1.993 423 HA LEU 55 HA LEU 55 -6.990 7.086 4.300 424 1HB LEU 55 HB2 LEU 55 -6.915 4.162 3.493 425 2HB LEU 55 HB1 LEU 55 -7.883 4.780 4.831 426 HG LEU 55 HG LEU 55 -8.096 5.760 1.969 427 1HD1 LEU 55 HD11 LEU 55 -10.292 4.253 3.302 428 2HD1 LEU 55 HD12 LEU 55 -8.898 3.317 2.763 429 3HD1 LEU 55 HD13 LEU 55 -9.815 4.280 1.604 430 1HD2 LEU 55 HD21 LEU 55 -9.426 6.448 4.569 431 2HD2 LEU 55 HD22 LEU 55 -10.368 6.549 3.081 432 3HD2 LEU 55 HD23 LEU 55 -8.904 7.515 3.266 433 H GLU 56 HN GLU 56 -4.456 4.623 3.916 434 HA GLU 56 HA GLU 56 -3.841 4.181 6.668 435 1HB GLU 56 HB2 GLU 56 -2.206 4.082 4.117 436 2HB GLU 56 HB1 GLU 56 -1.595 3.510 5.669 437 1HG GLU 56 HG2 GLU 56 -3.480 1.931 5.837 438 2HG GLU 56 HG1 GLU 56 -4.101 2.498 4.293 439 H ASN 57 HN ASN 57 -2.644 6.610 4.358 440 HA ASN 57 HA ASN 57 -0.619 7.767 6.028 441 1HB ASN 57 HB2 ASN 57 -2.364 8.858 3.795 442 2HB ASN 57 HB1 ASN 57 -0.972 9.719 4.451 443 1HD2 ASN 57 HD21 ASN 57 0.949 7.754 4.740 444 2HD2 ASN 57 HD22 ASN 57 1.284 7.021 3.247 445 H TYR 58 HN TYR 58 -4.079 8.509 5.631 446 HA TYR 58 HA TYR 58 -4.129 10.846 7.308 447 1HB TYR 58 HB2 TYR 58 -6.213 8.827 6.449 448 2HB TYR 58 HB1 TYR 58 -6.596 10.313 7.313 449 HD1 TYR 58 HD1 TYR 58 -4.958 12.368 6.194 450 HD2 TYR 58 HD2 TYR 58 -6.762 9.024 4.194 451 HE1 TYR 58 HE1 TYR 58 -4.900 13.615 4.050 452 HE2 TYR 58 HE2 TYR 58 -6.702 10.267 2.053 453 HH TYR 58 HH TYR 58 -6.639 13.071 1.558 454 H CYS 59 HN CYS 59 -4.558 7.388 8.016 455 HA CYS 59 HA CYS 59 -5.283 7.933 10.829 456 1HB CYS 59 HB2 CYS 59 -5.095 5.608 8.962 457 2HB CYS 59 HB1 CYS 59 -4.984 5.271 10.688 458 H ASN 60 HN ASN 60 -2.377 7.821 9.114 459 HA ASN 60 HA ASN 60 -0.712 6.293 10.923 460 1HB ASN 60 HB2 ASN 60 -0.372 8.283 8.707 461 2HB ASN 60 HB1 ASN 60 1.025 7.921 9.721 462 1HD2 ASN 60 HD21 ASN 60 1.492 7.091 7.241 463 2HD2 ASN 60 HD22 ASN 60 1.223 5.429 7.029 Start of MODEL 13 1 1H PHE 1 HT1 PHE 1 -20.748 -1.296 -11.070 2 2H PHE 1 HT2 PHE 1 -19.691 -2.563 -11.476 3 3H PHE 1 HT3 PHE 1 -19.377 -0.984 -12.019 4 HA PHE 1 HA PHE 1 -19.349 -1.857 -9.171 5 1HB PHE 1 HB2 PHE 1 -17.568 -2.772 -10.678 6 2HB PHE 1 HB1 PHE 1 -17.130 -1.118 -11.107 7 HD1 PHE 1 HD1 PHE 1 -17.093 -3.671 -8.462 8 HD2 PHE 1 HD2 PHE 1 -16.091 0.383 -9.469 9 HE1 PHE 1 HE1 PHE 1 -15.687 -3.512 -6.425 10 HE2 PHE 1 HE2 PHE 1 -14.685 0.542 -7.433 11 HZ PHE 1 HZ PHE 1 -14.483 -1.406 -5.911 12 H VAL 2 HN VAL 2 -19.006 -0.123 -7.723 13 HA VAL 2 HA VAL 2 -18.886 2.601 -8.885 14 HB VAL 2 HB VAL 2 -20.482 3.230 -7.080 15 1HG1 VAL 2 HG11 VAL 2 -22.452 1.967 -8.065 16 2HG1 VAL 2 HG12 VAL 2 -21.282 1.048 -9.013 17 3HG1 VAL 2 HG13 VAL 2 -21.426 2.792 -9.239 18 1HG2 VAL 2 HG21 VAL 2 -19.726 1.001 -5.801 19 2HG2 VAL 2 HG22 VAL 2 -21.134 0.352 -6.642 20 3HG2 VAL 2 HG23 VAL 2 -21.316 1.721 -5.546 21 H ASN 3 HN ASN 3 -18.069 4.225 -7.374 22 HA ASN 3 HA ASN 3 -16.608 3.309 -4.973 23 1HB ASN 3 HB2 ASN 3 -15.188 2.907 -7.054 24 2HB ASN 3 HB1 ASN 3 -15.207 4.652 -7.312 25 1HD2 ASN 3 HD21 ASN 3 -12.786 3.134 -6.758 26 2HD2 ASN 3 HD22 ASN 3 -12.179 3.671 -5.266 27 H GLN 4 HN GLN 4 -18.006 4.786 -3.889 28 HA GLN 4 HA GLN 4 -18.325 7.547 -4.769 29 1HB GLN 4 HB2 GLN 4 -19.018 6.117 -2.190 30 2HB GLN 4 HB1 GLN 4 -19.626 7.699 -2.668 31 1HG GLN 4 HG2 GLN 4 -20.670 6.702 -4.672 32 2HG GLN 4 HG1 GLN 4 -20.068 5.113 -4.197 33 1HE2 GLN 4 HE21 GLN 4 -22.598 4.760 -4.276 34 2HE2 GLN 4 HE22 GLN 4 -23.429 5.024 -2.820 35 H HIS 5 HN HIS 5 -17.851 9.362 -3.271 36 HA HIS 5 HA HIS 5 -15.039 9.423 -2.536 37 1HB HIS 5 HB2 HIS 5 -17.338 11.356 -2.083 38 2HB HIS 5 HB1 HIS 5 -15.630 11.755 -1.910 39 HD1 HIS 5 HD1 HIS 5 -14.215 11.947 -4.083 40 HD2 HIS 5 HD2 HIS 5 -18.237 11.094 -4.772 41 HE1 HIS 5 HE1 HIS 5 -14.608 12.301 -6.560 42 H LEU 6 HN LEU 6 -14.260 9.987 -0.367 43 HA LEU 6 HA LEU 6 -15.770 8.626 1.778 44 1HB LEU 6 HB2 LEU 6 -12.938 9.524 1.282 45 2HB LEU 6 HB1 LEU 6 -13.455 9.068 2.905 46 HG LEU 6 HG LEU 6 -14.033 7.249 0.584 47 1HD1 LEU 6 HD11 LEU 6 -11.573 6.791 2.204 48 2HD1 LEU 6 HD12 LEU 6 -11.487 8.036 0.958 49 3HD1 LEU 6 HD13 LEU 6 -11.902 6.379 0.521 50 1HD2 LEU 6 HD21 LEU 6 -15.014 6.938 2.904 51 2HD2 LEU 6 HD22 LEU 6 -13.370 6.671 3.484 52 3HD2 LEU 6 HD23 LEU 6 -14.081 5.565 2.308 53 H CYS 7 HN CYS 7 -17.342 10.362 2.144 54 HA CYS 7 HA CYS 7 -16.266 12.551 3.841 55 1HB CYS 7 HB2 CYS 7 -17.286 12.770 1.090 56 2HB CYS 7 HB1 CYS 7 -18.113 13.846 2.213 57 H GLY 8 HN GLY 8 -18.460 13.977 4.341 58 1HA GLY 8 HA2 GLY 8 -20.427 13.984 5.604 59 2HA GLY 8 HA1 GLY 8 -20.999 12.799 4.428 60 H SER 9 HN SER 9 -21.982 11.284 5.761 61 HA SER 9 HA SER 9 -20.927 10.502 8.356 62 1HB SER 9 HB2 SER 9 -23.330 10.511 7.582 63 2HB SER 9 HB1 SER 9 -22.951 9.119 6.572 64 HG SER 9 HG SER 9 -23.469 9.236 9.215 65 H HIS 10 HN HIS 10 -20.655 9.217 5.085 66 HA HIS 10 HA HIS 10 -19.745 6.582 5.675 67 1HB HIS 10 HB2 HIS 10 -20.515 7.443 3.476 68 2HB HIS 10 HB1 HIS 10 -19.043 8.407 3.355 69 HD1 HIS 10 HD1 HIS 10 -20.049 4.751 3.778 70 HD2 HIS 10 HD2 HIS 10 -16.916 7.028 2.236 71 HE1 HIS 10 HE1 HIS 10 -18.443 3.119 2.698 72 H LEU 11 HN LEU 11 -17.903 9.623 5.322 73 HA LEU 11 HA LEU 11 -15.280 8.519 5.330 74 1HB LEU 11 HB2 LEU 11 -15.823 10.848 4.789 75 2HB LEU 11 HB1 LEU 11 -16.355 11.135 6.443 76 HG LEU 11 HG LEU 11 -14.011 10.515 7.194 77 1HD1 LEU 11 HD11 LEU 11 -13.584 9.403 4.861 78 2HD1 LEU 11 HD12 LEU 11 -12.268 10.261 5.657 79 3HD1 LEU 11 HD13 LEU 11 -13.167 11.040 4.358 80 1HD2 LEU 11 HD21 LEU 11 -13.356 12.717 7.047 81 2HD2 LEU 11 HD22 LEU 11 -15.028 12.904 6.520 82 3HD2 LEU 11 HD23 LEU 11 -13.732 12.824 5.327 83 H VAL 12 HN VAL 12 -17.236 9.672 8.121 84 HA VAL 12 HA VAL 12 -15.315 9.093 10.145 85 HB VAL 12 HB VAL 12 -18.352 9.069 10.185 86 1HG1 VAL 12 HG11 VAL 12 -18.087 9.550 12.609 87 2HG1 VAL 12 HG12 VAL 12 -16.345 9.332 12.446 88 3HG1 VAL 12 HG13 VAL 12 -17.433 7.970 12.178 89 1HG2 VAL 12 HG21 VAL 12 -16.813 11.346 11.290 90 2HG2 VAL 12 HG22 VAL 12 -18.278 11.348 10.309 91 3HG2 VAL 12 HG23 VAL 12 -16.703 11.154 9.540 92 H GLU 13 HN GLU 13 -18.037 7.112 8.947 93 HA GLU 13 HA GLU 13 -17.545 4.799 10.529 94 1HB GLU 13 HB2 GLU 13 -18.760 5.224 7.789 95 2HB GLU 13 HB1 GLU 13 -18.820 3.677 8.633 96 1HG GLU 13 HG2 GLU 13 -19.971 4.751 10.532 97 2HG GLU 13 HG1 GLU 13 -19.915 6.300 9.689 98 H ALA 14 HN ALA 14 -16.323 5.727 7.327 99 HA ALA 14 HA ALA 14 -14.908 3.334 6.719 100 1HB ALA 14 HB1 ALA 14 -14.343 6.212 5.945 101 2HB ALA 14 HB2 ALA 14 -15.482 5.141 5.129 102 3HB ALA 14 HB3 ALA 14 -13.755 4.787 5.089 103 H LEU 15 HN LEU 15 -13.832 6.324 8.354 104 HA LEU 15 HA LEU 15 -11.083 5.647 8.653 105 1HB LEU 15 HB2 LEU 15 -13.011 7.320 10.284 106 2HB LEU 15 HB1 LEU 15 -11.275 7.289 10.594 107 HG LEU 15 HG LEU 15 -12.462 7.937 7.884 108 1HD1 LEU 15 HD11 LEU 15 -11.399 9.877 9.956 109 2HD1 LEU 15 HD12 LEU 15 -13.116 9.591 9.676 110 3HD1 LEU 15 HD13 LEU 15 -12.116 10.277 8.395 111 1HD2 LEU 15 HD21 LEU 15 -9.734 7.844 9.110 112 2HD2 LEU 15 HD22 LEU 15 -10.054 9.083 7.896 113 3HD2 LEU 15 HD23 LEU 15 -10.248 7.378 7.489 114 H TYR 16 HN TYR 16 -13.811 5.097 10.914 115 HA TYR 16 HA TYR 16 -12.318 3.819 12.981 116 1HB TYR 16 HB2 TYR 16 -14.657 4.666 13.129 117 2HB TYR 16 HB1 TYR 16 -15.180 3.353 12.073 118 HD1 TYR 16 HD1 TYR 16 -15.184 1.024 12.852 119 HD2 TYR 16 HD2 TYR 16 -13.966 4.239 15.428 120 HE1 TYR 16 HE1 TYR 16 -15.352 -0.484 14.815 121 HE2 TYR 16 HE2 TYR 16 -14.133 2.732 17.389 122 HH TYR 16 HH TYR 16 -14.265 -0.562 17.168 123 H LEU 17 HN LEU 17 -13.995 2.446 10.148 124 HA LEU 17 HA LEU 17 -13.517 -0.298 10.714 125 1HB LEU 17 HB2 LEU 17 -13.983 1.263 8.194 126 2HB LEU 17 HB1 LEU 17 -13.949 -0.495 8.222 127 HG LEU 17 HG LEU 17 -15.768 1.174 9.975 128 1HD1 LEU 17 HD11 LEU 17 -17.552 0.642 8.399 129 2HD1 LEU 17 HD12 LEU 17 -16.431 -0.279 7.396 130 3HD1 LEU 17 HD13 LEU 17 -16.254 1.469 7.539 131 1HD2 LEU 17 HD21 LEU 17 -15.619 -0.930 10.973 132 2HD2 LEU 17 HD22 LEU 17 -15.360 -1.753 9.435 133 3HD2 LEU 17 HD23 LEU 17 -16.969 -1.174 9.866 134 H VAL 18 HN VAL 18 -11.601 2.043 8.819 135 HA VAL 18 HA VAL 18 -9.682 0.095 7.886 136 HB VAL 18 HB VAL 18 -9.551 3.092 8.140 137 1HG1 VAL 18 HG11 VAL 18 -7.360 1.804 7.761 138 2HG1 VAL 18 HG12 VAL 18 -7.756 3.054 6.581 139 3HG1 VAL 18 HG13 VAL 18 -8.035 1.356 6.194 140 1HG2 VAL 18 HG21 VAL 18 -11.453 1.950 6.775 141 2HG2 VAL 18 HG22 VAL 18 -10.171 1.535 5.639 142 3HG2 VAL 18 HG23 VAL 18 -10.519 3.226 5.996 143 H CYS 19 HN CYS 19 -9.366 2.696 10.323 144 HA CYS 19 HA CYS 19 -6.812 1.705 11.292 145 1HB CYS 19 HB2 CYS 19 -8.816 3.689 12.339 146 2HB CYS 19 HB1 CYS 19 -7.205 3.475 13.015 147 H GLY 20 HN GLY 20 -10.122 1.683 12.637 148 1HA GLY 20 HA2 GLY 20 -11.121 0.092 14.052 149 2HA GLY 20 HA1 GLY 20 -9.625 -0.829 13.999 150 H GLU 21 HN GLU 21 -8.972 2.402 14.844 151 HA GLU 21 HA GLU 21 -9.339 1.934 17.739 152 1HB GLU 21 HB2 GLU 21 -6.736 2.291 16.254 153 2HB GLU 21 HB1 GLU 21 -6.869 2.645 17.976 154 1HG GLU 21 HG2 GLU 21 -7.604 -0.014 16.715 155 2HG GLU 21 HG1 GLU 21 -6.075 0.319 17.525 156 H ARG 22 HN ARG 22 -9.062 3.917 19.001 157 HA ARG 22 HA ARG 22 -9.424 6.393 17.388 158 1HB ARG 22 HB2 ARG 22 -10.474 5.468 20.070 159 2HB ARG 22 HB1 ARG 22 -10.666 7.123 19.490 160 1HG ARG 22 HG2 ARG 22 -11.887 6.345 17.531 161 2HG ARG 22 HG1 ARG 22 -11.606 4.664 17.987 162 1HD ARG 22 HD2 ARG 22 -12.928 4.970 20.039 163 2HD ARG 22 HD1 ARG 22 -13.182 6.679 19.633 164 HE ARG 22 HE ARG 22 -13.956 5.072 17.392 165 1HH1 ARG 22 HH11 ARG 22 -14.917 4.266 20.424 166 2HH1 ARG 22 HH12 ARG 22 -16.583 4.705 20.243 167 1HH2 ARG 22 HH21 ARG 22 -16.099 6.340 17.224 168 2HH2 ARG 22 HH22 ARG 22 -17.252 5.880 18.431 169 H GLY 23 HN GLY 23 -6.868 5.116 18.460 170 1HA GLY 23 HA2 GLY 23 -5.929 6.634 20.703 171 2HA GLY 23 HA1 GLY 23 -4.907 5.773 19.556 172 H PHE 24 HN PHE 24 -5.797 7.232 17.201 173 HA PHE 24 HA PHE 24 -4.024 9.519 17.425 174 1HB PHE 24 HB2 PHE 24 -4.587 9.808 15.046 175 2HB PHE 24 HB1 PHE 24 -4.254 8.117 15.404 176 HD1 PHE 24 HD1 PHE 24 -6.952 10.592 14.790 177 HD2 PHE 24 HD2 PHE 24 -5.948 6.432 15.163 178 HE1 PHE 24 HE1 PHE 24 -9.173 9.975 13.878 179 HE2 PHE 24 HE2 PHE 24 -8.172 5.815 14.256 180 HZ PHE 24 HZ PHE 24 -9.784 7.586 13.612 181 H PHE 25 HN PHE 25 -4.545 11.715 17.443 182 HA PHE 25 HA PHE 25 -7.149 12.446 18.530 183 1HB PHE 25 HB2 PHE 25 -4.702 13.290 19.018 184 2HB PHE 25 HB1 PHE 25 -5.017 14.369 17.660 185 HD1 PHE 25 HD1 PHE 25 -7.105 15.843 17.735 186 HD2 PHE 25 HD2 PHE 25 -5.600 13.738 21.161 187 HE1 PHE 25 HE1 PHE 25 -8.393 17.349 19.223 188 HE2 PHE 25 HE2 PHE 25 -6.894 15.241 22.651 189 HZ PHE 25 HZ PHE 25 -8.289 17.048 21.682 190 H TYR 26 HN TYR 26 -5.852 12.174 15.370 191 HA TYR 26 HA TYR 26 -6.610 12.889 13.265 192 1HB TYR 26 HB2 TYR 26 -8.684 11.900 14.574 193 2HB TYR 26 HB1 TYR 26 -9.228 13.579 14.565 194 HD1 TYR 26 HD1 TYR 26 -7.908 10.906 12.302 195 HD2 TYR 26 HD2 TYR 26 -10.291 14.462 12.662 196 HE1 TYR 26 HE1 TYR 26 -8.638 10.655 9.946 197 HE2 TYR 26 HE2 TYR 26 -11.020 14.211 10.304 198 HH TYR 26 HH TYR 26 -9.720 12.834 8.117 199 H THR 27 HN THR 27 -5.230 14.792 13.295 200 HA THR 27 HA THR 27 -6.769 17.326 13.509 201 HB THR 27 HB THR 27 -4.805 18.319 14.671 202 HG1 THR 27 HG1 THR 27 -3.029 17.237 14.671 203 1HG2 THR 27 HG21 THR 27 -5.270 17.395 16.806 204 2HG2 THR 27 HG22 THR 27 -5.661 15.817 16.123 205 3HG2 THR 27 HG23 THR 27 -6.755 17.179 15.879 206 HA PRO 28 HA PRO 28 -4.752 18.286 9.710 207 1HB PRO 28 HB2 PRO 28 -4.514 21.005 9.848 208 2HB PRO 28 HB1 PRO 28 -6.065 20.184 9.581 209 1HG PRO 28 HG2 PRO 28 -4.952 21.364 12.074 210 2HG PRO 28 HG1 PRO 28 -6.616 21.365 11.469 211 1HD PRO 28 HD2 PRO 28 -5.717 19.693 13.433 212 2HD PRO 28 HD1 PRO 28 -7.074 19.309 12.352 213 H LYS 29 HN LYS 29 -2.645 17.490 9.738 214 HA LYS 29 HA LYS 29 -0.545 18.475 11.441 215 1HB LYS 29 HB2 LYS 29 -0.635 16.204 10.473 216 2HB LYS 29 HB1 LYS 29 -0.476 16.888 8.855 217 1HG LYS 29 HG2 LYS 29 1.731 17.753 9.370 218 2HG LYS 29 HG1 LYS 29 1.567 17.279 11.060 219 1HD LYS 29 HD2 LYS 29 2.933 15.628 9.896 220 2HD LYS 29 HD1 LYS 29 1.390 14.897 10.338 221 1HE LYS 29 HE2 LYS 29 1.329 16.204 7.698 222 2HE LYS 29 HE1 LYS 29 2.467 14.845 7.795 223 1HZ LYS 29 HZ1 LYS 29 0.794 13.423 8.603 224 2HZ LYS 29 HZ2 LYS 29 0.083 14.241 7.295 225 3HZ LYS 29 HZ3 LYS 29 -0.285 14.700 8.889 226 H THR 30 HN THR 30 -1.846 19.593 8.412 227 HA THR 30 HA THR 30 0.120 21.764 8.329 228 HB THR 30 HB THR 30 -0.223 19.629 6.202 229 HG1 THR 30 HG1 THR 30 2.096 19.567 6.540 230 1HG2 THR 30 HG21 THR 30 -0.117 21.715 5.002 231 2HG2 THR 30 HG22 THR 30 1.487 20.987 4.919 232 3HG2 THR 30 HG23 THR 30 1.178 22.312 6.041 233 H ARG 31 HN ARG 31 -1.507 23.287 8.501 234 HA ARG 31 HA ARG 31 -3.303 23.619 6.185 235 1HB ARG 31 HB2 ARG 31 -4.078 23.180 9.058 236 2HB ARG 31 HB1 ARG 31 -5.112 24.158 8.020 237 1HG ARG 31 HG2 ARG 31 -4.202 21.368 7.277 238 2HG ARG 31 HG1 ARG 31 -5.711 21.693 8.124 239 1HD ARG 31 HD2 ARG 31 -5.068 23.122 5.536 240 2HD ARG 31 HD1 ARG 31 -5.832 21.522 5.538 241 HE ARG 31 HE ARG 31 -7.732 22.470 6.704 242 1HH1 ARG 31 HH11 ARG 31 -6.882 24.553 4.527 243 2HH1 ARG 31 HH12 ARG 31 -7.123 26.019 5.418 244 1HH2 ARG 31 HH21 ARG 31 -7.336 24.431 8.492 245 2HH2 ARG 31 HH22 ARG 31 -7.379 25.950 7.661 246 H ARG 32 HN ARG 32 -3.933 25.814 5.883 247 HA ARG 32 HA ARG 32 -2.087 27.815 6.668 248 1HB ARG 32 HB2 ARG 32 -3.646 27.751 4.686 249 2HB ARG 32 HB1 ARG 32 -4.960 28.177 5.782 250 1HG ARG 32 HG2 ARG 32 -3.802 30.245 6.406 251 2HG ARG 32 HG1 ARG 32 -2.445 29.816 5.364 252 1HD ARG 32 HD2 ARG 32 -4.156 29.709 3.442 253 2HD ARG 32 HD1 ARG 32 -5.262 30.553 4.544 254 HE ARG 32 HE ARG 32 -3.659 32.405 4.649 255 1HH1 ARG 32 HH11 ARG 32 -1.571 30.171 3.614 256 2HH1 ARG 32 HH12 ARG 32 -1.066 30.966 2.161 257 1HH2 ARG 32 HH21 ARG 32 -3.611 33.319 2.247 258 2HH2 ARG 32 HH22 ARG 32 -2.220 32.747 1.387 259 H TYR 33 HN TYR 33 -5.294 27.007 8.016 260 HA TYR 33 HA TYR 33 -4.577 28.393 10.533 261 1HB TYR 33 HB2 TYR 33 -5.711 29.900 8.676 262 2HB TYR 33 HB1 TYR 33 -7.169 29.101 9.249 263 HD1 TYR 33 HD1 TYR 33 -5.486 32.025 9.609 264 HD2 TYR 33 HD2 TYR 33 -6.956 28.820 12.067 265 HE1 TYR 33 HE1 TYR 33 -5.564 33.553 11.561 266 HE2 TYR 33 HE2 TYR 33 -7.030 30.348 14.015 267 HH TYR 33 HH TYR 33 -6.789 33.706 13.727 268 HA PRO 34 HA PRO 34 -7.156 24.655 11.190 269 1HB PRO 34 HB2 PRO 34 -5.751 23.684 13.320 270 2HB PRO 34 HB1 PRO 34 -5.286 23.366 11.638 271 1HG PRO 34 HG2 PRO 34 -4.120 25.258 13.596 272 2HG PRO 34 HG1 PRO 34 -3.335 24.339 12.304 273 1HD PRO 34 HD2 PRO 34 -3.990 27.028 12.183 274 2HD PRO 34 HD1 PRO 34 -3.666 25.986 10.781 275 H GLY 35 HN GLY 35 -8.067 23.894 13.499 276 1HA GLY 35 HA2 GLY 35 -8.796 24.544 15.716 277 2HA GLY 35 HA1 GLY 35 -8.404 26.217 15.322 278 H ASP 36 HN ASP 36 -10.910 23.976 15.573 279 HA ASP 36 HA ASP 36 -13.203 24.038 14.995 280 1HB ASP 36 HB2 ASP 36 -12.397 26.958 15.143 281 2HB ASP 36 HB1 ASP 36 -14.074 26.420 15.062 282 H VAL 37 HN VAL 37 -11.699 23.452 12.767 283 HA VAL 37 HA VAL 37 -12.162 25.268 10.560 284 HB VAL 37 HB VAL 37 -11.399 22.334 10.688 285 1HG1 VAL 37 HG11 VAL 37 -11.303 22.329 8.437 286 2HG1 VAL 37 HG12 VAL 37 -10.351 23.812 8.420 287 3HG1 VAL 37 HG13 VAL 37 -12.111 23.895 8.444 288 1HG2 VAL 37 HG21 VAL 37 -9.135 23.050 10.708 289 2HG2 VAL 37 HG22 VAL 37 -9.937 24.103 11.874 290 3HG2 VAL 37 HG23 VAL 37 -9.567 24.699 10.256 291 H LYS 38 HN LYS 38 -13.696 25.025 8.880 292 HA LYS 38 HA LYS 38 -16.293 23.976 9.614 293 1HB LYS 38 HB2 LYS 38 -15.079 24.941 6.999 294 2HB LYS 38 HB1 LYS 38 -16.805 24.672 7.255 295 1HG LYS 38 HG2 LYS 38 -16.796 26.323 9.088 296 2HG LYS 38 HG1 LYS 38 -15.073 26.597 8.834 297 1HD LYS 38 HD2 LYS 38 -15.528 27.364 6.535 298 2HD LYS 38 HD1 LYS 38 -17.254 27.093 6.785 299 1HE LYS 38 HE2 LYS 38 -17.479 28.935 8.182 300 2HE LYS 38 HE1 LYS 38 -15.805 28.829 8.757 301 1HZ LYS 38 HZ1 LYS 38 -16.409 30.652 7.053 302 2HZ LYS 38 HZ2 LYS 38 -16.367 29.396 5.911 303 3HZ LYS 38 HZ3 LYS 38 -14.982 29.766 6.825 304 H ARG 39 HN ARG 39 -13.641 22.839 7.568 305 HA ARG 39 HA ARG 39 -14.624 20.095 7.698 306 1HB ARG 39 HB2 ARG 39 -14.442 21.711 5.138 307 2HB ARG 39 HB1 ARG 39 -14.518 19.951 5.151 308 1HG ARG 39 HG2 ARG 39 -16.662 20.152 6.489 309 2HG ARG 39 HG1 ARG 39 -16.614 21.885 6.164 310 1HD ARG 39 HD2 ARG 39 -16.576 21.406 3.717 311 2HD ARG 39 HD1 ARG 39 -16.735 19.677 4.082 312 HE ARG 39 HE ARG 39 -18.764 21.145 5.491 313 1HH1 ARG 39 HH11 ARG 39 -18.202 21.678 2.307 314 2HH1 ARG 39 HH12 ARG 39 -19.636 20.915 1.705 315 1HH2 ARG 39 HH21 ARG 39 -20.456 19.459 4.744 316 2HH2 ARG 39 HH22 ARG 39 -20.912 19.658 3.085 317 H GLY 40 HN GLY 40 -12.426 22.107 5.731 318 1HA GLY 40 HA2 GLY 40 -10.120 21.941 5.336 319 2HA GLY 40 HA1 GLY 40 -10.013 21.409 7.012 320 H ILE 41 HN ILE 41 -10.079 19.166 7.462 321 HA ILE 41 HA ILE 41 -8.732 17.458 5.587 322 HB ILE 41 HB ILE 41 -10.366 16.858 8.083 323 1HG1 ILE 41 HG12 ILE 41 -7.363 17.118 7.836 324 2HG1 ILE 41 HG11 ILE 41 -8.388 18.501 8.220 325 1HG2 ILE 41 HG21 ILE 41 -8.733 14.868 8.166 326 2HG2 ILE 41 HG22 ILE 41 -8.405 15.218 6.469 327 3HG2 ILE 41 HG23 ILE 41 -10.035 14.778 6.980 328 1HD1 ILE 41 HD11 ILE 41 -7.528 17.428 10.275 329 2HD1 ILE 41 HD12 ILE 41 -8.282 15.908 9.791 330 3HD1 ILE 41 HD13 ILE 41 -9.285 17.307 10.177 331 H VAL 42 HN VAL 42 -12.140 17.745 6.555 332 HA VAL 42 HA VAL 42 -13.167 15.530 5.069 333 HB VAL 42 HB VAL 42 -14.383 18.145 5.932 334 1HG1 VAL 42 HG11 VAL 42 -16.418 17.465 5.202 335 2HG1 VAL 42 HG12 VAL 42 -16.149 15.808 5.740 336 3HG1 VAL 42 HG13 VAL 42 -15.525 16.339 4.181 337 1HG2 VAL 42 HG21 VAL 42 -14.228 15.416 7.223 338 2HG2 VAL 42 HG22 VAL 42 -15.246 16.726 7.820 339 3HG2 VAL 42 HG23 VAL 42 -13.492 16.908 7.807 340 H GLU 43 HN GLU 43 -12.921 18.988 4.217 341 HA GLU 43 HA GLU 43 -14.087 18.839 1.631 342 1HB GLU 43 HB2 GLU 43 -12.207 20.648 3.092 343 2HB GLU 43 HB1 GLU 43 -12.440 20.909 1.363 344 1HG GLU 43 HG2 GLU 43 -14.830 20.539 3.138 345 2HG GLU 43 HG1 GLU 43 -14.031 22.110 3.075 346 H GLN 44 HN GLN 44 -10.812 18.082 2.703 347 HA GLN 44 HA GLN 44 -9.440 18.180 0.214 348 1HB GLN 44 HB2 GLN 44 -8.406 17.954 2.440 349 2HB GLN 44 HB1 GLN 44 -9.095 16.340 2.605 350 1HG GLN 44 HG2 GLN 44 -7.809 15.585 0.637 351 2HG GLN 44 HG1 GLN 44 -7.116 17.198 0.472 352 1HE2 GLN 44 HE21 GLN 44 -5.315 15.121 0.852 353 2HE2 GLN 44 HE22 GLN 44 -4.677 15.171 2.424 354 H CYS 45 HN CYS 45 -11.037 15.340 1.757 355 HA CYS 45 HA CYS 45 -10.643 13.733 -0.682 356 1HB CYS 45 HB2 CYS 45 -11.875 13.297 2.042 357 2HB CYS 45 HB1 CYS 45 -11.936 12.063 0.785 358 H CYS 46 HN CYS 46 -13.046 15.922 0.426 359 HA CYS 46 HA CYS 46 -15.410 14.630 -0.622 360 1HB CYS 46 HB2 CYS 46 -14.559 17.212 0.501 361 2HB CYS 46 HB1 CYS 46 -15.859 17.358 -0.675 362 H THR 47 HN THR 47 -13.208 17.099 -2.002 363 HA THR 47 HA THR 47 -14.666 17.316 -4.505 364 HB THR 47 HB THR 47 -11.825 18.049 -3.716 365 HG1 THR 47 HG1 THR 47 -12.758 19.605 -2.693 366 1HG2 THR 47 HG21 THR 47 -13.530 19.208 -5.932 367 2HG2 THR 47 HG22 THR 47 -12.332 17.943 -6.202 368 3HG2 THR 47 HG23 THR 47 -11.825 19.525 -5.611 369 H SER 48 HN SER 48 -11.689 15.596 -3.532 370 HA SER 48 HA SER 48 -11.704 14.166 -6.163 371 1HB SER 48 HB2 SER 48 -9.522 14.388 -4.071 372 2HB SER 48 HB1 SER 48 -9.343 13.840 -5.736 373 HG SER 48 HG SER 48 -9.948 15.938 -6.402 374 H ILE 49 HN ILE 49 -10.259 11.933 -5.501 375 HA ILE 49 HA ILE 49 -11.985 10.546 -3.472 376 HB ILE 49 HB ILE 49 -10.694 9.519 -6.028 377 1HG1 ILE 49 HG12 ILE 49 -13.632 9.914 -5.384 378 2HG1 ILE 49 HG11 ILE 49 -12.669 11.099 -6.268 379 1HG2 ILE 49 HG21 ILE 49 -12.504 8.193 -3.986 380 2HG2 ILE 49 HG22 ILE 49 -10.843 7.746 -4.373 381 3HG2 ILE 49 HG23 ILE 49 -12.121 7.500 -5.561 382 1HD1 ILE 49 HD11 ILE 49 -14.016 9.383 -7.661 383 2HD1 ILE 49 HD12 ILE 49 -12.797 8.214 -7.154 384 3HD1 ILE 49 HD13 ILE 49 -12.324 9.630 -8.092 385 H CYS 50 HN CYS 50 -10.822 9.865 -1.729 386 HA CYS 50 HA CYS 50 -7.858 9.731 -1.908 387 1HB CYS 50 HB2 CYS 50 -9.849 9.631 0.385 388 2HB CYS 50 HB1 CYS 50 -8.096 9.642 0.586 389 H SER 51 HN SER 51 -6.826 7.780 -2.015 390 HA SER 51 HA SER 51 -8.361 5.290 -2.059 391 1HB SER 51 HB2 SER 51 -6.148 4.357 -2.636 392 2HB SER 51 HB1 SER 51 -6.479 5.805 -3.581 393 HG SER 51 HG SER 51 -4.444 5.330 -1.956 394 H LEU 52 HN LEU 52 -7.677 3.411 -0.716 395 HA LEU 52 HA LEU 52 -7.817 3.889 2.070 396 1HB LEU 52 HB2 LEU 52 -8.408 1.781 0.910 397 2HB LEU 52 HB1 LEU 52 -6.704 1.511 0.545 398 HG LEU 52 HG LEU 52 -6.261 1.599 3.040 399 1HD1 LEU 52 HD11 LEU 52 -9.142 2.152 2.990 400 2HD1 LEU 52 HD12 LEU 52 -7.969 2.418 4.279 401 3HD1 LEU 52 HD13 LEU 52 -8.720 0.836 4.085 402 1HD2 LEU 52 HD21 LEU 52 -7.316 -0.707 3.422 403 2HD2 LEU 52 HD22 LEU 52 -6.272 -0.553 2.009 404 3HD2 LEU 52 HD23 LEU 52 -8.025 -0.534 1.816 405 H TYR 53 HN TYR 53 -5.006 3.371 -0.046 406 HA TYR 53 HA TYR 53 -2.981 3.071 1.911 407 1HB TYR 53 HB2 TYR 53 -2.842 2.764 -0.581 408 2HB TYR 53 HB1 TYR 53 -2.792 4.517 -0.720 409 HD1 TYR 53 HD1 TYR 53 -0.844 5.803 0.011 410 HD2 TYR 53 HD2 TYR 53 -0.985 1.530 0.422 411 HE1 TYR 53 HE1 TYR 53 1.593 5.766 0.478 412 HE2 TYR 53 HE2 TYR 53 1.449 1.492 0.887 413 HH TYR 53 HH TYR 53 3.224 4.291 1.616 414 H GLN 54 HN GLN 54 -4.315 6.054 0.472 415 HA GLN 54 HA GLN 54 -2.557 7.855 1.896 416 1HB GLN 54 HB2 GLN 54 -5.272 8.134 0.568 417 2HB GLN 54 HB1 GLN 54 -4.374 9.509 1.216 418 1HG GLN 54 HG2 GLN 54 -2.463 8.956 -0.244 419 2HG GLN 54 HG1 GLN 54 -3.356 7.583 -0.896 420 1HE2 GLN 54 HE21 GLN 54 -2.632 9.309 -2.826 421 2HE2 GLN 54 HE22 GLN 54 -3.913 10.310 -3.314 422 H LEU 55 HN LEU 55 -5.768 6.474 2.554 423 HA LEU 55 HA LEU 55 -6.422 7.952 4.912 424 1HB LEU 55 HB2 LEU 55 -7.008 5.093 4.062 425 2HB LEU 55 HB1 LEU 55 -7.854 5.936 5.357 426 HG LEU 55 HG LEU 55 -7.731 6.896 2.486 427 1HD1 LEU 55 HD11 LEU 55 -9.665 5.769 2.036 428 2HD1 LEU 55 HD12 LEU 55 -10.292 5.988 3.669 429 3HD1 LEU 55 HD13 LEU 55 -9.121 4.712 3.339 430 1HD2 LEU 55 HD21 LEU 55 -9.895 8.078 3.699 431 2HD2 LEU 55 HD22 LEU 55 -8.311 8.835 3.535 432 3HD2 LEU 55 HD23 LEU 55 -8.742 8.008 5.032 433 H GLU 56 HN GLU 56 -4.594 4.944 4.434 434 HA GLU 56 HA GLU 56 -4.087 4.280 7.161 435 1HB GLU 56 HB2 GLU 56 -2.560 3.833 4.582 436 2HB GLU 56 HB1 GLU 56 -2.106 3.075 6.108 437 1HG GLU 56 HG2 GLU 56 -4.339 2.039 6.263 438 2HG GLU 56 HG1 GLU 56 -4.797 2.793 4.736 439 H ASN 57 HN ASN 57 -2.329 6.375 4.889 440 HA ASN 57 HA ASN 57 -0.029 6.916 6.481 441 1HB ASN 57 HB2 ASN 57 -0.311 7.467 4.086 442 2HB ASN 57 HB1 ASN 57 -1.540 8.661 4.502 443 1HD2 ASN 57 HD21 ASN 57 1.668 7.960 6.000 444 2HD2 ASN 57 HD22 ASN 57 2.256 9.543 5.829 445 H TYR 58 HN TYR 58 -3.141 8.682 6.271 446 HA TYR 58 HA TYR 58 -2.530 10.703 8.202 447 1HB TYR 58 HB2 TYR 58 -5.153 9.396 7.413 448 2HB TYR 58 HB1 TYR 58 -5.010 10.907 8.310 449 HD1 TYR 58 HD1 TYR 58 -2.904 12.387 7.046 450 HD2 TYR 58 HD2 TYR 58 -5.841 9.834 5.226 451 HE1 TYR 58 HE1 TYR 58 -2.670 13.635 4.917 452 HE2 TYR 58 HE2 TYR 58 -5.604 11.080 3.096 453 HH TYR 58 HH TYR 58 -3.077 13.403 2.589 454 H CYS 59 HN CYS 59 -3.517 7.351 8.537 455 HA CYS 59 HA CYS 59 -4.157 7.625 11.406 456 1HB CYS 59 HB2 CYS 59 -5.123 6.078 9.451 457 2HB CYS 59 HB1 CYS 59 -3.817 5.016 9.974 458 H ASN 60 HN ASN 60 -1.682 8.500 11.368 459 HA ASN 60 HA ASN 60 0.453 6.557 11.328 460 1HB ASN 60 HB2 ASN 60 0.050 9.305 12.526 461 2HB ASN 60 HB1 ASN 60 1.579 8.441 12.687 462 1HD2 ASN 60 HD21 ASN 60 1.036 10.939 11.116 463 2HD2 ASN 60 HD22 ASN 60 1.467 10.572 9.516 Start of MODEL 14 1 1H PHE 1 HT1 PHE 1 -21.883 -4.538 -6.773 2 2H PHE 1 HT2 PHE 1 -22.456 -4.725 -5.184 3 3H PHE 1 HT3 PHE 1 -21.544 -5.960 -5.912 4 HA PHE 1 HA PHE 1 -20.277 -4.565 -4.270 5 1HB PHE 1 HB2 PHE 1 -19.305 -5.994 -6.049 6 2HB PHE 1 HB1 PHE 1 -19.441 -4.658 -7.191 7 HD1 PHE 1 HD1 PHE 1 -17.644 -5.955 -4.248 8 HD2 PHE 1 HD2 PHE 1 -17.981 -2.703 -7.034 9 HE1 PHE 1 HE1 PHE 1 -15.450 -5.079 -3.491 10 HE2 PHE 1 HE2 PHE 1 -15.787 -1.828 -6.277 11 HZ PHE 1 HZ PHE 1 -14.522 -3.016 -4.507 12 H VAL 2 HN VAL 2 -20.459 -2.466 -3.533 13 HA VAL 2 HA VAL 2 -20.416 -0.275 -5.522 14 HB VAL 2 HB VAL 2 -22.028 0.870 -4.014 15 1HG1 VAL 2 HG11 VAL 2 -23.961 -0.721 -4.443 16 2HG1 VAL 2 HG12 VAL 2 -22.769 -1.875 -5.042 17 3HG1 VAL 2 HG13 VAL 2 -22.986 -0.327 -5.859 18 1HG2 VAL 2 HG21 VAL 2 -22.915 -0.144 -2.087 19 2HG2 VAL 2 HG22 VAL 2 -21.211 -0.588 -2.003 20 3HG2 VAL 2 HG23 VAL 2 -22.398 -1.754 -2.586 21 H ASN 3 HN ASN 3 -19.540 1.741 -4.640 22 HA ASN 3 HA ASN 3 -18.093 1.676 -2.078 23 1HB ASN 3 HB2 ASN 3 -16.690 0.458 -3.802 24 2HB ASN 3 HB1 ASN 3 -16.634 1.957 -4.728 25 1HD2 ASN 3 HD21 ASN 3 -14.269 0.713 -3.614 26 2HD2 ASN 3 HD22 ASN 3 -13.640 1.760 -2.435 27 H GLN 4 HN GLN 4 -19.227 3.540 -1.540 28 HA GLN 4 HA GLN 4 -19.527 5.794 -3.369 29 1HB GLN 4 HB2 GLN 4 -20.025 5.478 -0.396 30 2HB GLN 4 HB1 GLN 4 -20.642 6.785 -1.399 31 1HG GLN 4 HG2 GLN 4 -21.874 5.151 -2.788 32 2HG GLN 4 HG1 GLN 4 -21.264 3.832 -1.784 33 1HE2 GLN 4 HE21 GLN 4 -24.113 4.934 -2.190 34 2HE2 GLN 4 HE22 GLN 4 -24.672 5.221 -0.614 35 H HIS 5 HN HIS 5 -18.772 7.984 -2.774 36 HA HIS 5 HA HIS 5 -15.910 8.056 -2.263 37 1HB HIS 5 HB2 HIS 5 -18.058 10.185 -2.532 38 2HB HIS 5 HB1 HIS 5 -16.329 10.523 -2.506 39 HD1 HIS 5 HD1 HIS 5 -14.917 9.715 -4.558 40 HD2 HIS 5 HD2 HIS 5 -19.019 9.087 -4.956 41 HE1 HIS 5 HE1 HIS 5 -15.327 9.184 -7.001 42 H LEU 6 HN LEU 6 -14.846 8.777 -0.389 43 HA LEU 6 HA LEU 6 -16.256 8.606 2.131 44 1HB LEU 6 HB2 LEU 6 -13.466 9.459 1.311 45 2HB LEU 6 HB1 LEU 6 -13.973 9.303 2.993 46 HG LEU 6 HG LEU 6 -14.080 7.076 0.936 47 1HD1 LEU 6 HD11 LEU 6 -12.046 6.330 1.699 48 2HD1 LEU 6 HD12 LEU 6 -12.306 6.965 3.324 49 3HD1 LEU 6 HD13 LEU 6 -11.809 8.047 2.023 50 1HD2 LEU 6 HD21 LEU 6 -15.709 6.486 2.484 51 2HD2 LEU 6 HD22 LEU 6 -14.925 7.364 3.797 52 3HD2 LEU 6 HD23 LEU 6 -14.279 5.812 3.265 53 H CYS 7 HN CYS 7 -17.861 10.329 1.841 54 HA CYS 7 HA CYS 7 -16.808 12.983 2.650 55 1HB CYS 7 HB2 CYS 7 -17.999 12.229 0.032 56 2HB CYS 7 HB1 CYS 7 -18.595 13.732 0.737 57 H GLY 8 HN GLY 8 -18.819 14.474 3.042 58 1HA GLY 8 HA2 GLY 8 -20.735 14.836 4.342 59 2HA GLY 8 HA1 GLY 8 -21.442 13.536 3.378 60 H SER 9 HN SER 9 -22.379 12.125 4.830 61 HA SER 9 HA SER 9 -21.398 11.756 7.548 62 1HB SER 9 HB2 SER 9 -23.445 10.350 5.813 63 2HB SER 9 HB1 SER 9 -23.212 9.993 7.522 64 HG SER 9 HG SER 9 -24.864 11.587 7.040 65 H HIS 10 HN HIS 10 -21.013 10.023 4.500 66 HA HIS 10 HA HIS 10 -20.070 7.526 5.513 67 1HB HIS 10 HB2 HIS 10 -20.827 8.046 3.187 68 2HB HIS 10 HB1 HIS 10 -19.327 8.941 2.937 69 HD1 HIS 10 HD1 HIS 10 -19.582 5.691 4.853 70 HD2 HIS 10 HD2 HIS 10 -18.076 7.082 1.225 71 HE1 HIS 10 HE1 HIS 10 -18.231 3.791 3.862 72 H LEU 11 HN LEU 11 -18.316 10.546 4.783 73 HA LEU 11 HA LEU 11 -15.658 9.534 4.975 74 1HB LEU 11 HB2 LEU 11 -16.281 11.767 4.138 75 2HB LEU 11 HB1 LEU 11 -16.805 12.239 5.754 76 HG LEU 11 HG LEU 11 -14.046 11.159 5.570 77 1HD1 LEU 11 HD11 LEU 11 -13.188 13.409 4.823 78 2HD1 LEU 11 HD12 LEU 11 -14.838 13.819 4.353 79 3HD1 LEU 11 HD13 LEU 11 -13.997 12.491 3.557 80 1HD2 LEU 11 HD21 LEU 11 -13.683 13.158 7.083 81 2HD2 LEU 11 HD22 LEU 11 -14.866 11.994 7.680 82 3HD2 LEU 11 HD23 LEU 11 -15.408 13.497 6.934 83 H VAL 12 HN VAL 12 -17.808 10.823 7.530 84 HA VAL 12 HA VAL 12 -15.928 10.630 9.682 85 HB VAL 12 HB VAL 12 -18.959 10.491 9.543 86 1HG1 VAL 12 HG11 VAL 12 -18.816 11.245 11.961 87 2HG1 VAL 12 HG12 VAL 12 -17.106 10.815 11.919 88 3HG1 VAL 12 HG13 VAL 12 -18.334 9.572 11.679 89 1HG2 VAL 12 HG21 VAL 12 -16.926 12.694 9.886 90 2HG2 VAL 12 HG22 VAL 12 -18.591 12.899 10.431 91 3HG2 VAL 12 HG23 VAL 12 -18.252 12.594 8.727 92 H GLU 13 HN GLU 13 -18.384 8.336 8.479 93 HA GLU 13 HA GLU 13 -17.985 6.268 10.385 94 1HB GLU 13 HB2 GLU 13 -18.814 6.282 7.473 95 2HB GLU 13 HB1 GLU 13 -18.912 4.844 8.488 96 1HG GLU 13 HG2 GLU 13 -20.392 6.043 10.054 97 2HG GLU 13 HG1 GLU 13 -20.296 7.485 9.042 98 H ALA 14 HN ALA 14 -16.388 6.849 7.258 99 HA ALA 14 HA ALA 14 -14.785 4.492 7.200 100 1HB ALA 14 HB1 ALA 14 -13.365 6.349 5.790 101 2HB ALA 14 HB2 ALA 14 -14.950 7.119 5.861 102 3HB ALA 14 HB3 ALA 14 -14.783 5.509 5.162 103 H LEU 15 HN LEU 15 -14.118 7.738 8.517 104 HA LEU 15 HA LEU 15 -11.360 7.379 9.135 105 1HB LEU 15 HB2 LEU 15 -13.590 9.005 10.386 106 2HB LEU 15 HB1 LEU 15 -11.895 9.196 10.838 107 HG LEU 15 HG LEU 15 -12.881 9.406 7.982 108 1HD1 LEU 15 HD11 LEU 15 -12.398 11.566 10.055 109 2HD1 LEU 15 HD12 LEU 15 -13.921 11.198 9.246 110 3HD1 LEU 15 HD13 LEU 15 -12.577 11.878 8.328 111 1HD2 LEU 15 HD21 LEU 15 -10.599 9.072 7.816 112 2HD2 LEU 15 HD22 LEU 15 -10.281 9.724 9.423 113 3HD2 LEU 15 HD23 LEU 15 -10.606 10.816 8.077 114 H TYR 16 HN TYR 16 -14.256 6.756 11.146 115 HA TYR 16 HA TYR 16 -12.908 5.872 13.505 116 1HB TYR 16 HB2 TYR 16 -15.332 6.436 13.240 117 2HB TYR 16 HB1 TYR 16 -15.550 4.944 12.324 118 HD1 TYR 16 HD1 TYR 16 -15.324 2.743 13.422 119 HD2 TYR 16 HD2 TYR 16 -14.983 6.406 15.634 120 HE1 TYR 16 HE1 TYR 16 -15.596 1.487 15.543 121 HE2 TYR 16 HE2 TYR 16 -15.251 5.152 17.757 122 HH TYR 16 HH TYR 16 -14.786 2.647 18.481 123 H LEU 17 HN LEU 17 -14.204 3.986 10.769 124 HA LEU 17 HA LEU 17 -13.429 1.401 11.604 125 1HB LEU 17 HB2 LEU 17 -13.746 2.666 8.896 126 2HB LEU 17 HB1 LEU 17 -13.621 0.930 9.141 127 HG LEU 17 HG LEU 17 -15.705 2.644 10.513 128 1HD1 LEU 17 HD11 LEU 17 -16.053 0.936 8.032 129 2HD1 LEU 17 HD12 LEU 17 -15.900 2.692 8.000 130 3HD1 LEU 17 HD13 LEU 17 -17.276 1.942 8.808 131 1HD2 LEU 17 HD21 LEU 17 -16.723 0.146 10.344 132 2HD2 LEU 17 HD22 LEU 17 -15.727 0.673 11.699 133 3HD2 LEU 17 HD23 LEU 17 -15.005 -0.248 10.380 134 H VAL 18 HN VAL 18 -11.672 3.726 9.551 135 HA VAL 18 HA VAL 18 -9.409 2.018 9.054 136 HB VAL 18 HB VAL 18 -9.808 4.998 8.907 137 1HG1 VAL 18 HG11 VAL 18 -7.808 3.571 7.213 138 2HG1 VAL 18 HG12 VAL 18 -7.362 3.908 8.883 139 3HG1 VAL 18 HG13 VAL 18 -7.791 5.231 7.803 140 1HG2 VAL 18 HG21 VAL 18 -11.309 3.465 7.544 141 2HG2 VAL 18 HG22 VAL 18 -9.855 2.942 6.694 142 3HG2 VAL 18 HG23 VAL 18 -10.369 4.627 6.606 143 H CYS 19 HN CYS 19 -10.001 4.571 11.469 144 HA CYS 19 HA CYS 19 -7.329 4.583 12.543 145 1HB CYS 19 HB2 CYS 19 -10.038 5.495 13.403 146 2HB CYS 19 HB1 CYS 19 -8.690 5.609 14.531 147 H GLY 20 HN GLY 20 -10.287 2.826 13.490 148 1HA GLY 20 HA2 GLY 20 -10.613 1.078 15.023 149 2HA GLY 20 HA1 GLY 20 -9.051 0.515 14.439 150 H GLU 21 HN GLU 21 -9.786 3.460 16.316 151 HA GLU 21 HA GLU 21 -8.397 2.320 18.664 152 1HB GLU 21 HB2 GLU 21 -6.735 3.379 17.106 153 2HB GLU 21 HB1 GLU 21 -7.593 4.908 17.307 154 1HG GLU 21 HG2 GLU 21 -5.721 4.868 18.856 155 2HG GLU 21 HG1 GLU 21 -7.217 4.729 19.779 156 H ARG 22 HN ARG 22 -8.779 3.594 20.618 157 HA ARG 22 HA ARG 22 -11.355 4.979 20.597 158 1HB ARG 22 HB2 ARG 22 -10.680 3.273 22.295 159 2HB ARG 22 HB1 ARG 22 -9.405 4.364 22.838 160 1HG ARG 22 HG2 ARG 22 -11.041 6.044 23.479 161 2HG ARG 22 HG1 ARG 22 -12.351 5.075 22.805 162 1HD ARG 22 HD2 ARG 22 -12.343 4.706 25.203 163 2HD ARG 22 HD1 ARG 22 -11.683 3.240 24.453 164 HE ARG 22 HE ARG 22 -9.633 5.231 25.049 165 1HH1 ARG 22 HH21 ARG 22 -9.145 2.296 25.146 166 2HH1 ARG 22 HH22 ARG 22 -9.068 1.985 26.848 167 1HH2 ARG 22 HH11 ARG 22 -10.571 4.982 27.733 168 2HH2 ARG 22 HH12 ARG 22 -9.875 3.506 28.313 169 H GLY 23 HN GLY 23 -10.133 6.677 19.170 170 1HA GLY 23 HA2 GLY 23 -9.980 9.142 20.420 171 2HA GLY 23 HA1 GLY 23 -8.336 8.513 20.538 172 H PHE 24 HN PHE 24 -10.731 8.178 17.933 173 HA PHE 24 HA PHE 24 -8.730 8.768 15.891 174 1HB PHE 24 HB2 PHE 24 -10.603 8.327 14.367 175 2HB PHE 24 HB1 PHE 24 -10.592 7.120 15.647 176 HD1 PHE 24 HD1 PHE 24 -12.295 10.117 14.326 177 HD2 PHE 24 HD2 PHE 24 -12.358 7.053 17.335 178 HE1 PHE 24 HE1 PHE 24 -14.624 10.737 14.910 179 HE2 PHE 24 HE2 PHE 24 -14.683 7.677 17.923 180 HZ PHE 24 HZ PHE 24 -15.817 9.518 16.710 181 H PHE 25 HN PHE 25 -8.880 10.592 14.382 182 HA PHE 25 HA PHE 25 -10.666 12.821 14.993 183 1HB PHE 25 HB2 PHE 25 -8.730 14.346 15.519 184 2HB PHE 25 HB1 PHE 25 -8.992 13.095 16.730 185 HD1 PHE 25 HD1 PHE 25 -7.451 11.217 16.963 186 HD2 PHE 25 HD2 PHE 25 -6.801 14.256 14.008 187 HE1 PHE 25 HE1 PHE 25 -5.133 10.398 16.637 188 HE2 PHE 25 HE2 PHE 25 -4.481 13.445 13.681 189 HZ PHE 25 HZ PHE 25 -3.647 11.514 14.996 190 H TYR 26 HN TYR 26 -7.754 11.727 13.261 191 HA TYR 26 HA TYR 26 -7.019 12.127 11.065 192 1HB TYR 26 HB2 TYR 26 -9.289 11.065 10.762 193 2HB TYR 26 HB1 TYR 26 -9.962 12.689 10.607 194 HD1 TYR 26 HD1 TYR 26 -7.665 10.214 9.089 195 HD2 TYR 26 HD2 TYR 26 -9.604 14.018 8.624 196 HE1 TYR 26 HE1 TYR 26 -7.000 10.261 6.700 197 HE2 TYR 26 HE2 TYR 26 -8.938 14.066 6.235 198 HH TYR 26 HH TYR 26 -7.558 11.292 4.650 199 H THR 27 HN THR 27 -6.007 14.147 11.988 200 HA THR 27 HA THR 27 -6.976 16.507 10.488 201 HB THR 27 HB THR 27 -6.715 17.904 12.523 202 HG1 THR 27 HG1 THR 27 -5.484 17.007 13.960 203 1HG2 THR 27 HG21 THR 27 -8.505 15.556 13.162 204 2HG2 THR 27 HG22 THR 27 -8.902 16.736 11.913 205 3HG2 THR 27 HG23 THR 27 -8.740 17.251 13.591 206 HA PRO 28 HA PRO 28 -2.635 16.919 9.862 207 1HB PRO 28 HB2 PRO 28 -2.414 19.572 9.258 208 2HB PRO 28 HB1 PRO 28 -3.139 18.390 8.153 209 1HG PRO 28 HG2 PRO 28 -4.440 20.416 9.868 210 2HG PRO 28 HG1 PRO 28 -4.947 19.759 8.306 211 1HD PRO 28 HD2 PRO 28 -5.978 19.040 10.794 212 2HD PRO 28 HD1 PRO 28 -6.177 18.130 9.281 213 H LYS 29 HN LYS 29 -0.889 18.927 10.432 214 HA LYS 29 HA LYS 29 -0.448 18.726 13.255 215 1HB LYS 29 HB2 LYS 29 1.316 19.009 11.551 216 2HB LYS 29 HB1 LYS 29 0.688 20.610 11.161 217 1HG LYS 29 HG2 LYS 29 1.150 21.358 13.468 218 2HG LYS 29 HG1 LYS 29 1.781 19.759 13.861 219 1HD LYS 29 HD2 LYS 29 3.539 20.016 12.165 220 2HD LYS 29 HD1 LYS 29 2.898 21.600 11.725 221 1HE LYS 29 HE2 LYS 29 3.348 22.427 14.013 222 2HE LYS 29 HE1 LYS 29 4.002 20.837 14.454 223 1HZ LYS 29 HZ1 LYS 29 5.632 21.023 12.713 224 2HZ LYS 29 HZ2 LYS 29 5.740 22.396 13.707 225 3HZ LYS 29 HZ3 LYS 29 4.979 22.498 12.192 226 H THR 30 HN THR 30 -1.855 21.237 11.198 227 HA THR 30 HA THR 30 -3.102 23.162 11.710 228 HB THR 30 HB THR 30 -3.398 21.726 14.368 229 HG1 THR 30 HG1 THR 30 -4.721 20.456 13.365 230 1HG2 THR 30 HG21 THR 30 -5.529 23.429 13.187 231 2HG2 THR 30 HG22 THR 30 -4.132 24.260 13.870 232 3HG2 THR 30 HG23 THR 30 -5.094 23.180 14.878 233 H ARG 31 HN ARG 31 -1.149 24.477 11.638 234 HA ARG 31 HA ARG 31 0.473 24.985 13.961 235 1HB ARG 31 HB2 ARG 31 -0.022 26.429 11.346 236 2HB ARG 31 HB1 ARG 31 1.191 26.956 12.513 237 1HG ARG 31 HG2 ARG 31 2.382 24.869 12.333 238 2HG ARG 31 HG1 ARG 31 1.091 24.153 11.368 239 1HD ARG 31 HD2 ARG 31 2.575 26.628 10.446 240 2HD ARG 31 HD1 ARG 31 3.132 24.989 10.050 241 HE ARG 31 HE ARG 31 0.636 26.240 9.082 242 1HH1 ARG 31 HH11 ARG 31 2.889 24.483 7.740 243 2HH1 ARG 31 HH12 ARG 31 1.944 23.093 7.319 244 1HH2 ARG 31 HH21 ARG 31 -0.741 23.984 9.324 245 2HH2 ARG 31 HH22 ARG 31 -0.111 22.811 8.216 246 H ARG 32 HN ARG 32 -2.354 26.639 12.530 247 HA ARG 32 HA ARG 32 -2.799 27.954 15.127 248 1HB ARG 32 HB2 ARG 32 -3.356 30.083 13.611 249 2HB ARG 32 HB1 ARG 32 -1.742 29.786 14.240 250 1HG ARG 32 HG2 ARG 32 -0.944 29.011 12.161 251 2HG ARG 32 HG1 ARG 32 -2.567 28.724 11.543 252 1HD ARG 32 HD2 ARG 32 -3.008 31.141 11.478 253 2HD ARG 32 HD1 ARG 32 -1.411 31.463 12.183 254 HE ARG 32 HE ARG 32 -0.401 30.509 10.139 255 1HH1 ARG 32 HH21 ARG 32 -2.157 32.794 9.229 256 2HH1 ARG 32 HH22 ARG 32 -3.015 32.071 7.910 257 1HH2 ARG 32 HH11 ARG 32 -2.216 28.823 8.827 258 2HH2 ARG 32 HH12 ARG 32 -3.048 29.821 7.682 259 H TYR 33 HN TYR 33 -4.408 28.815 12.077 260 HA TYR 33 HA TYR 33 -6.786 27.188 12.813 261 1HB TYR 33 HB2 TYR 33 -6.377 30.059 13.243 262 2HB TYR 33 HB1 TYR 33 -7.813 29.725 12.282 263 HD1 TYR 33 HD1 TYR 33 -6.292 29.532 15.581 264 HD2 TYR 33 HD2 TYR 33 -9.590 28.198 13.174 265 HE1 TYR 33 HE1 TYR 33 -7.529 28.887 17.632 266 HE2 TYR 33 HE2 TYR 33 -10.825 27.551 15.223 267 HH TYR 33 HH TYR 33 -10.816 28.225 17.661 268 HA PRO 34 HA PRO 34 -6.449 27.582 8.276 269 1HB PRO 34 HB2 PRO 34 -6.924 24.960 7.682 270 2HB PRO 34 HB1 PRO 34 -5.320 25.566 8.134 271 1HG PRO 34 HG2 PRO 34 -7.201 23.925 9.673 272 2HG PRO 34 HG1 PRO 34 -5.452 24.103 9.847 273 1HD PRO 34 HD2 PRO 34 -7.493 25.318 11.423 274 2HD PRO 34 HD1 PRO 34 -5.737 25.557 11.544 275 H GLY 35 HN GLY 35 -8.670 28.629 9.267 276 1HA GLY 35 HA2 GLY 35 -11.018 26.955 8.583 277 2HA GLY 35 HA1 GLY 35 -11.071 28.524 9.385 278 H ASP 36 HN ASP 36 -9.062 28.231 6.559 279 HA ASP 36 HA ASP 36 -10.658 30.243 5.153 280 1HB ASP 36 HB2 ASP 36 -8.203 28.609 4.422 281 2HB ASP 36 HB1 ASP 36 -8.807 29.980 3.491 282 H VAL 37 HN VAL 37 -12.481 29.611 4.069 283 HA VAL 37 HA VAL 37 -13.946 28.374 2.710 284 HB VAL 37 HB VAL 37 -11.219 27.609 1.617 285 1HG1 VAL 37 HG11 VAL 37 -12.512 25.981 0.589 286 2HG1 VAL 37 HG12 VAL 37 -12.777 27.323 -0.524 287 3HG1 VAL 37 HG13 VAL 37 -13.991 26.938 0.697 288 1HG2 VAL 37 HG21 VAL 37 -11.285 29.799 1.024 289 2HG2 VAL 37 HG22 VAL 37 -12.998 29.943 1.415 290 3HG2 VAL 37 HG23 VAL 37 -12.501 29.315 -0.156 291 H LYS 38 HN LYS 38 -11.444 25.852 2.560 292 HA LYS 38 HA LYS 38 -12.973 24.160 4.478 293 1HB LYS 38 HB2 LYS 38 -12.446 23.582 1.546 294 2HB LYS 38 HB1 LYS 38 -12.998 22.361 2.692 295 1HG LYS 38 HG2 LYS 38 -15.002 23.724 3.176 296 2HG LYS 38 HG1 LYS 38 -14.457 24.937 2.020 297 1HD LYS 38 HD2 LYS 38 -14.515 23.231 0.220 298 2HD LYS 38 HD1 LYS 38 -15.131 22.055 1.381 299 1HE LYS 38 HE2 LYS 38 -16.698 24.518 1.464 300 2HE LYS 38 HE1 LYS 38 -16.687 23.804 -0.158 301 1HZ LYS 38 HZ1 LYS 38 -17.505 21.798 0.618 302 2HZ LYS 38 HZ2 LYS 38 -18.372 22.919 1.553 303 3HZ LYS 38 HZ3 LYS 38 -17.048 22.094 2.225 304 H ARG 39 HN ARG 39 -11.744 21.969 4.688 305 HA ARG 39 HA ARG 39 -9.022 22.493 5.425 306 1HB ARG 39 HB2 ARG 39 -10.669 19.979 5.057 307 2HB ARG 39 HB1 ARG 39 -9.047 19.970 5.747 308 1HG ARG 39 HG2 ARG 39 -9.786 21.527 7.516 309 2HG ARG 39 HG1 ARG 39 -11.411 21.533 6.831 310 1HD ARG 39 HD2 ARG 39 -10.007 19.019 7.802 311 2HD ARG 39 HD1 ARG 39 -11.174 19.943 8.767 312 HE ARG 39 HE ARG 39 -11.897 18.838 6.078 313 1HH1 ARG 39 HH11 ARG 39 -12.299 17.213 8.660 314 2HH1 ARG 39 HH12 ARG 39 -13.972 17.531 8.978 315 1HH2 ARG 39 HH21 ARG 39 -14.148 20.225 6.802 316 2HH2 ARG 39 HH22 ARG 39 -15.018 19.236 7.926 317 H GLY 40 HN GLY 40 -10.522 20.853 2.660 318 1HA GLY 40 HA2 GLY 40 -9.471 21.042 0.438 319 2HA GLY 40 HA1 GLY 40 -7.900 21.011 1.240 320 H ILE 41 HN ILE 41 -8.202 18.875 2.975 321 HA ILE 41 HA ILE 41 -7.690 16.611 1.319 322 HB ILE 41 HB ILE 41 -8.548 16.814 4.226 323 1HG1 ILE 41 HG12 ILE 41 -5.769 16.558 3.043 324 2HG1 ILE 41 HG11 ILE 41 -6.483 18.104 3.497 325 1HG2 ILE 41 HG21 ILE 41 -6.932 14.604 2.943 326 2HG2 ILE 41 HG22 ILE 41 -8.687 14.510 3.084 327 3HG2 ILE 41 HG23 ILE 41 -7.691 14.614 4.535 328 1HD1 ILE 41 HD11 ILE 41 -5.432 17.613 5.485 329 2HD1 ILE 41 HD12 ILE 41 -5.540 15.871 5.231 330 3HD1 ILE 41 HD13 ILE 41 -6.956 16.773 5.772 331 H VAL 42 HN VAL 42 -10.599 17.411 3.244 332 HA VAL 42 HA VAL 42 -12.180 15.177 2.454 333 HB VAL 42 HB VAL 42 -12.847 17.988 3.309 334 1HG1 VAL 42 HG11 VAL 42 -14.617 15.948 2.285 335 2HG1 VAL 42 HG12 VAL 42 -15.012 17.577 2.829 336 3HG1 VAL 42 HG13 VAL 42 -14.977 16.247 3.986 337 1HG2 VAL 42 HG21 VAL 42 -12.945 15.384 4.846 338 2HG2 VAL 42 HG22 VAL 42 -13.144 17.007 5.502 339 3HG2 VAL 42 HG23 VAL 42 -11.575 16.493 4.882 340 H GLU 43 HN GLU 43 -11.835 18.416 1.022 341 HA GLU 43 HA GLU 43 -13.780 18.167 -1.042 342 1HB GLU 43 HB2 GLU 43 -11.169 19.690 -0.806 343 2HB GLU 43 HB1 GLU 43 -12.316 19.948 -2.122 344 1HG GLU 43 HG2 GLU 43 -12.988 20.218 0.824 345 2HG GLU 43 HG1 GLU 43 -12.627 21.569 -0.250 346 H GLN 44 HN GLN 44 -10.337 17.271 -0.944 347 HA GLN 44 HA GLN 44 -10.075 16.495 -3.695 348 1HB GLN 44 HB2 GLN 44 -8.626 15.812 -1.133 349 2HB GLN 44 HB1 GLN 44 -8.094 15.197 -2.699 350 1HG GLN 44 HG2 GLN 44 -8.568 18.141 -2.187 351 2HG GLN 44 HG1 GLN 44 -6.998 17.376 -1.937 352 1HE2 GLN 44 HE21 GLN 44 -6.112 16.156 -3.924 353 2HE2 GLN 44 HE22 GLN 44 -6.458 16.796 -5.457 354 H CYS 45 HN CYS 45 -10.989 14.621 -0.780 355 HA CYS 45 HA CYS 45 -11.120 12.090 -2.206 356 1HB CYS 45 HB2 CYS 45 -12.228 13.086 0.436 357 2HB CYS 45 HB1 CYS 45 -12.353 11.411 -0.088 358 H CYS 46 HN CYS 46 -13.307 14.779 -1.727 359 HA CYS 46 HA CYS 46 -15.766 13.384 -2.378 360 1HB CYS 46 HB2 CYS 46 -14.789 16.093 -1.848 361 2HB CYS 46 HB1 CYS 46 -16.007 16.073 -3.119 362 H THR 47 HN THR 47 -13.335 15.181 -4.244 363 HA THR 47 HA THR 47 -14.724 14.944 -6.794 364 HB THR 47 HB THR 47 -12.486 15.761 -7.620 365 HG1 THR 47 HG1 THR 47 -10.839 15.494 -6.373 366 1HG2 THR 47 HG21 THR 47 -14.377 17.182 -6.489 367 2HG2 THR 47 HG22 THR 47 -12.800 17.917 -6.781 368 3HG2 THR 47 HG23 THR 47 -13.216 17.334 -5.170 369 H SER 48 HN SER 48 -12.081 13.185 -5.177 370 HA SER 48 HA SER 48 -12.443 10.954 -7.147 371 1HB SER 48 HB2 SER 48 -9.783 11.879 -6.040 372 2HB SER 48 HB1 SER 48 -10.071 10.808 -7.408 373 HG SER 48 HG SER 48 -9.812 13.439 -7.411 374 H ILE 49 HN ILE 49 -11.901 8.843 -6.230 375 HA ILE 49 HA ILE 49 -12.490 8.621 -3.379 376 HB ILE 49 HB ILE 49 -11.635 6.605 -5.487 377 1HG1 ILE 49 HG12 ILE 49 -14.403 7.227 -4.415 378 2HG1 ILE 49 HG11 ILE 49 -13.760 7.922 -5.903 379 1HG2 ILE 49 HG21 ILE 49 -11.824 6.286 -2.683 380 2HG2 ILE 49 HG22 ILE 49 -11.706 5.011 -3.893 381 3HG2 ILE 49 HG23 ILE 49 -13.289 5.560 -3.344 382 1HD1 ILE 49 HD11 ILE 49 -15.153 5.867 -6.283 383 2HD1 ILE 49 HD12 ILE 49 -13.958 4.944 -5.372 384 3HD1 ILE 49 HD13 ILE 49 -13.503 5.720 -6.889 385 H CYS 50 HN CYS 50 -10.978 8.800 -1.805 386 HA CYS 50 HA CYS 50 -8.119 8.845 -2.402 387 1HB CYS 50 HB2 CYS 50 -9.827 9.038 0.098 388 2HB CYS 50 HB1 CYS 50 -8.068 9.178 0.135 389 H SER 51 HN SER 51 -6.564 7.295 -1.654 390 HA SER 51 HA SER 51 -7.503 4.535 -1.668 391 1HB SER 51 HB2 SER 51 -5.165 4.049 -1.804 392 2HB SER 51 HB1 SER 51 -5.405 5.539 -2.709 393 HG SER 51 HG SER 51 -4.842 6.628 -0.690 394 H LEU 52 HN LEU 52 -7.311 3.008 -0.019 395 HA LEU 52 HA LEU 52 -7.866 3.762 2.661 396 1HB LEU 52 HB2 LEU 52 -8.429 1.594 1.618 397 2HB LEU 52 HB1 LEU 52 -6.714 1.200 1.506 398 HG LEU 52 HG LEU 52 -6.563 1.402 4.003 399 1HD1 LEU 52 HD11 LEU 52 -8.820 1.251 5.191 400 2HD1 LEU 52 HD12 LEU 52 -9.547 1.773 3.671 401 3HD1 LEU 52 HD13 LEU 52 -8.411 2.827 4.514 402 1HD2 LEU 52 HD21 LEU 52 -8.162 -0.681 4.365 403 2HD2 LEU 52 HD22 LEU 52 -6.720 -0.828 3.361 404 3HD2 LEU 52 HD23 LEU 52 -8.300 -0.607 2.609 405 H TYR 53 HN TYR 53 -4.825 2.823 1.083 406 HA TYR 53 HA TYR 53 -3.153 2.629 3.359 407 1HB TYR 53 HB2 TYR 53 -2.605 1.919 1.066 408 2HB TYR 53 HB1 TYR 53 -2.562 3.603 0.569 409 HD1 TYR 53 HD1 TYR 53 -0.726 5.084 1.237 410 HD2 TYR 53 HD2 TYR 53 -0.847 0.971 2.470 411 HE1 TYR 53 HE1 TYR 53 1.652 5.221 1.928 412 HE2 TYR 53 HE2 TYR 53 1.530 1.108 3.162 413 HH TYR 53 HH TYR 53 3.605 2.916 2.251 414 H GLN 54 HN GLN 54 -3.980 5.505 1.394 415 HA GLN 54 HA GLN 54 -2.254 7.310 2.861 416 1HB GLN 54 HB2 GLN 54 -4.664 7.662 1.058 417 2HB GLN 54 HB1 GLN 54 -3.732 9.022 1.688 418 1HG GLN 54 HG2 GLN 54 -1.685 8.098 0.663 419 2HG GLN 54 HG1 GLN 54 -2.614 6.741 0.027 420 1HE2 GLN 54 HE21 GLN 54 -2.437 7.242 -2.220 421 2HE2 GLN 54 HE22 GLN 54 -3.073 8.659 -2.906 422 H LEU 55 HN LEU 55 -5.711 6.434 3.146 423 HA LEU 55 HA LEU 55 -6.452 8.331 5.148 424 1HB LEU 55 HB2 LEU 55 -7.369 5.518 4.498 425 2HB LEU 55 HB1 LEU 55 -8.201 6.558 5.654 426 HG LEU 55 HG LEU 55 -7.636 7.374 2.794 427 1HD1 LEU 55 HD11 LEU 55 -9.203 5.333 3.177 428 2HD1 LEU 55 HD12 LEU 55 -9.794 6.660 2.177 429 3HD1 LEU 55 HD13 LEU 55 -10.324 6.515 3.853 430 1HD2 LEU 55 HD21 LEU 55 -9.770 8.817 3.611 431 2HD2 LEU 55 HD22 LEU 55 -8.110 9.363 3.845 432 3HD2 LEU 55 HD23 LEU 55 -8.974 8.578 5.166 433 H GLU 56 HN GLU 56 -5.141 5.045 5.416 434 HA GLU 56 HA GLU 56 -5.149 4.804 8.254 435 1HB GLU 56 HB2 GLU 56 -3.405 3.660 6.054 436 2HB GLU 56 HB1 GLU 56 -3.317 3.112 7.730 437 1HG GLU 56 HG2 GLU 56 -5.715 2.535 7.674 438 2HG GLU 56 HG1 GLU 56 -5.811 3.084 6.002 439 H ASN 57 HN ASN 57 -2.710 6.150 6.036 440 HA ASN 57 HA ASN 57 -0.629 6.581 7.953 441 1HB ASN 57 HB2 ASN 57 -0.509 6.656 5.428 442 2HB ASN 57 HB1 ASN 57 -1.298 8.232 5.497 443 1HD2 ASN 57 HD21 ASN 57 1.289 8.090 4.409 444 2HD2 ASN 57 HD22 ASN 57 2.398 8.810 5.474 445 H TYR 58 HN TYR 58 -3.351 8.637 6.934 446 HA TYR 58 HA TYR 58 -2.641 11.031 8.312 447 1HB TYR 58 HB2 TYR 58 -5.214 9.707 7.468 448 2HB TYR 58 HB1 TYR 58 -5.232 11.245 8.323 449 HD1 TYR 58 HD1 TYR 58 -3.440 13.028 7.344 450 HD2 TYR 58 HD2 TYR 58 -5.183 9.778 5.157 451 HE1 TYR 58 HE1 TYR 58 -2.949 14.197 5.210 452 HE2 TYR 58 HE2 TYR 58 -4.695 10.935 3.026 453 HH TYR 58 HH TYR 58 -4.145 12.999 2.127 454 H CYS 59 HN CYS 59 -4.383 8.134 9.405 455 HA CYS 59 HA CYS 59 -4.843 9.253 12.094 456 1HB CYS 59 HB2 CYS 59 -6.401 7.759 10.728 457 2HB CYS 59 HB1 CYS 59 -5.275 6.441 11.054 458 H ASN 60 HN ASN 60 -2.385 7.426 10.472 459 HA ASN 60 HA ASN 60 -1.405 5.913 12.749 460 1HB ASN 60 HB2 ASN 60 -0.332 6.770 10.061 461 2HB ASN 60 HB1 ASN 60 0.689 5.896 11.202 462 1HD2 ASN 60 HD21 ASN 60 -0.115 4.750 8.678 463 2HD2 ASN 60 HD22 ASN 60 -1.130 3.429 9.002 Start of MODEL 15 1 1H PHE 1 HT1 PHE 1 -19.754 -3.283 -5.465 2 2H PHE 1 HT2 PHE 1 -19.785 -3.228 -3.767 3 3H PHE 1 HT3 PHE 1 -18.655 -4.213 -4.568 4 HA PHE 1 HA PHE 1 -17.715 -2.085 -3.665 5 1HB PHE 1 HB2 PHE 1 -16.926 -3.597 -5.608 6 2HB PHE 1 HB1 PHE 1 -17.594 -2.360 -6.673 7 HD1 PHE 1 HD1 PHE 1 -15.402 -2.632 -3.635 8 HD2 PHE 1 HD2 PHE 1 -16.192 -0.625 -7.350 9 HE1 PHE 1 HE1 PHE 1 -13.353 -1.268 -3.335 10 HE2 PHE 1 HE2 PHE 1 -14.143 0.739 -7.049 11 HZ PHE 1 HZ PHE 1 -12.723 0.417 -5.041 12 H VAL 2 HN VAL 2 -17.590 0.216 -4.012 13 HA VAL 2 HA VAL 2 -19.837 1.409 -5.541 14 HB VAL 2 HB VAL 2 -19.954 3.050 -3.657 15 1HG1 VAL 2 HG11 VAL 2 -20.861 1.364 -1.964 16 2HG1 VAL 2 HG12 VAL 2 -20.334 0.111 -3.087 17 3HG1 VAL 2 HG13 VAL 2 -21.551 1.286 -3.585 18 1HG2 VAL 2 HG21 VAL 2 -18.427 1.230 -1.879 19 2HG2 VAL 2 HG22 VAL 2 -18.541 2.990 -1.856 20 3HG2 VAL 2 HG23 VAL 2 -17.466 2.191 -3.003 21 H ASN 3 HN ASN 3 -19.335 3.943 -5.617 22 HA ASN 3 HA ASN 3 -16.452 4.542 -5.916 23 1HB ASN 3 HB2 ASN 3 -17.353 3.394 -8.015 24 2HB ASN 3 HB1 ASN 3 -18.390 4.804 -8.234 25 1HD2 ASN 3 HD21 ASN 3 -17.386 5.842 -10.007 26 2HD2 ASN 3 HD22 ASN 3 -15.761 6.333 -10.018 27 H GLN 4 HN GLN 4 -16.980 6.098 -4.250 28 HA GLN 4 HA GLN 4 -18.243 8.579 -5.306 29 1HB GLN 4 HB2 GLN 4 -19.003 7.222 -2.697 30 2HB GLN 4 HB1 GLN 4 -19.672 8.728 -3.307 31 1HG GLN 4 HG2 GLN 4 -20.563 7.503 -5.285 32 2HG GLN 4 HG1 GLN 4 -19.958 5.996 -4.595 33 1HE2 GLN 4 HE21 GLN 4 -21.611 4.872 -3.580 34 2HE2 GLN 4 HE22 GLN 4 -22.871 5.579 -2.689 35 H HIS 5 HN HIS 5 -17.764 10.427 -3.814 36 HA HIS 5 HA HIS 5 -15.009 10.332 -2.846 37 1HB HIS 5 HB2 HIS 5 -17.224 12.406 -2.801 38 2HB HIS 5 HB1 HIS 5 -15.576 12.729 -2.268 39 HD1 HIS 5 HD1 HIS 5 -13.744 11.786 -4.272 40 HD2 HIS 5 HD2 HIS 5 -17.506 13.160 -5.428 41 HE1 HIS 5 HE1 HIS 5 -13.563 12.394 -6.724 42 H LEU 6 HN LEU 6 -14.348 10.203 -0.689 43 HA LEU 6 HA LEU 6 -16.293 9.329 1.298 44 1HB LEU 6 HB2 LEU 6 -13.315 9.772 1.152 45 2HB LEU 6 HB1 LEU 6 -14.089 9.410 2.696 46 HG LEU 6 HG LEU 6 -14.532 7.702 0.243 47 1HD1 LEU 6 HD11 LEU 6 -12.427 7.423 2.409 48 2HD1 LEU 6 HD12 LEU 6 -12.136 7.679 0.688 49 3HD1 LEU 6 HD13 LEU 6 -12.836 6.160 1.248 50 1HD2 LEU 6 HD21 LEU 6 -15.687 6.316 1.655 51 2HD2 LEU 6 HD22 LEU 6 -15.878 7.787 2.609 52 3HD2 LEU 6 HD23 LEU 6 -14.607 6.633 3.012 53 H CYS 7 HN CYS 7 -17.619 11.009 1.971 54 HA CYS 7 HA CYS 7 -16.336 13.261 3.423 55 1HB CYS 7 HB2 CYS 7 -18.001 13.392 0.921 56 2HB CYS 7 HB1 CYS 7 -18.085 14.716 2.081 57 H GLY 8 HN GLY 8 -18.347 14.701 4.251 58 1HA GLY 8 HA2 GLY 8 -20.150 14.778 5.739 59 2HA GLY 8 HA1 GLY 8 -20.925 13.666 4.610 60 H SER 9 HN SER 9 -21.873 12.247 6.105 61 HA SER 9 HA SER 9 -20.527 11.293 8.493 62 1HB SER 9 HB2 SER 9 -22.967 10.397 6.936 63 2HB SER 9 HB1 SER 9 -22.511 9.722 8.497 64 HG SER 9 HG SER 9 -23.742 11.353 9.120 65 H HIS 10 HN HIS 10 -20.755 10.148 5.179 66 HA HIS 10 HA HIS 10 -20.015 7.418 5.544 67 1HB HIS 10 HB2 HIS 10 -20.902 8.590 3.480 68 2HB HIS 10 HB1 HIS 10 -19.284 9.253 3.244 69 HD1 HIS 10 HD1 HIS 10 -20.658 5.764 4.006 70 HD2 HIS 10 HD2 HIS 10 -17.893 7.631 1.507 71 HE1 HIS 10 HE1 HIS 10 -19.623 3.936 2.592 72 H LEU 11 HN LEU 11 -18.022 10.350 5.214 73 HA LEU 11 HA LEU 11 -15.464 9.113 4.955 74 1HB LEU 11 HB2 LEU 11 -15.961 11.509 4.599 75 2HB LEU 11 HB1 LEU 11 -16.295 11.700 6.319 76 HG LEU 11 HG LEU 11 -13.950 10.961 6.805 77 1HD1 LEU 11 HD11 LEU 11 -13.779 11.044 3.785 78 2HD1 LEU 11 HD12 LEU 11 -13.432 9.677 4.841 79 3HD1 LEU 11 HD13 LEU 11 -12.361 11.078 4.831 80 1HD2 LEU 11 HD21 LEU 11 -12.975 13.104 5.451 81 2HD2 LEU 11 HD22 LEU 11 -13.953 13.250 6.911 82 3HD2 LEU 11 HD23 LEU 11 -14.705 13.425 5.325 83 H VAL 12 HN VAL 12 -17.326 10.001 7.868 84 HA VAL 12 HA VAL 12 -15.320 9.322 9.803 85 HB VAL 12 HB VAL 12 -18.358 9.351 9.884 86 1HG1 VAL 12 HG11 VAL 12 -16.481 9.553 12.251 87 2HG1 VAL 12 HG12 VAL 12 -17.222 8.031 11.758 88 3HG1 VAL 12 HG13 VAL 12 -18.235 9.378 12.273 89 1HG2 VAL 12 HG21 VAL 12 -17.877 11.568 11.049 90 2HG2 VAL 12 HG22 VAL 12 -17.508 11.517 9.325 91 3HG2 VAL 12 HG23 VAL 12 -16.208 11.386 10.510 92 H GLU 13 HN GLU 13 -17.975 7.423 8.372 93 HA GLU 13 HA GLU 13 -17.644 5.039 9.870 94 1HB GLU 13 HB2 GLU 13 -18.597 5.618 7.057 95 2HB GLU 13 HB1 GLU 13 -18.758 4.032 7.814 96 1HG GLU 13 HG2 GLU 13 -20.104 4.969 9.610 97 2HG GLU 13 HG1 GLU 13 -19.847 6.601 8.999 98 H ALA 14 HN ALA 14 -16.208 5.964 6.740 99 HA ALA 14 HA ALA 14 -14.743 3.572 6.273 100 1HB ALA 14 HB1 ALA 14 -15.286 5.798 4.890 101 2HB ALA 14 HB2 ALA 14 -13.921 4.762 4.470 102 3HB ALA 14 HB3 ALA 14 -13.660 6.221 5.426 103 H LEU 15 HN LEU 15 -13.614 6.673 7.669 104 HA LEU 15 HA LEU 15 -10.946 5.866 8.246 105 1HB LEU 15 HB2 LEU 15 -12.841 7.853 9.534 106 2HB LEU 15 HB1 LEU 15 -11.119 7.778 9.907 107 HG LEU 15 HG LEU 15 -12.195 8.111 7.097 108 1HD1 LEU 15 HD11 LEU 15 -12.751 10.005 8.740 109 2HD1 LEU 15 HD12 LEU 15 -11.858 10.458 7.288 110 3HD1 LEU 15 HD13 LEU 15 -11.013 10.289 8.827 111 1HD2 LEU 15 HD21 LEU 15 -9.492 8.105 8.403 112 2HD2 LEU 15 HD22 LEU 15 -9.749 9.104 6.973 113 3HD2 LEU 15 HD23 LEU 15 -10.000 7.361 6.887 114 H TYR 16 HN TYR 16 -13.846 5.810 10.320 115 HA TYR 16 HA TYR 16 -12.642 4.784 12.686 116 1HB TYR 16 HB2 TYR 16 -14.900 5.791 12.446 117 2HB TYR 16 HB1 TYR 16 -15.428 4.363 11.557 118 HD1 TYR 16 HD1 TYR 16 -15.832 2.248 12.689 119 HD2 TYR 16 HD2 TYR 16 -14.371 5.668 14.838 120 HE1 TYR 16 HE1 TYR 16 -16.344 1.118 14.838 121 HE2 TYR 16 HE2 TYR 16 -14.881 4.539 16.984 122 HH TYR 16 HH TYR 16 -16.265 2.791 17.857 123 H LEU 17 HN LEU 17 -14.318 3.006 10.069 124 HA LEU 17 HA LEU 17 -13.869 0.392 11.123 125 1HB LEU 17 HB2 LEU 17 -14.439 1.487 8.389 126 2HB LEU 17 HB1 LEU 17 -14.421 -0.239 8.729 127 HG LEU 17 HG LEU 17 -16.125 1.738 10.264 128 1HD1 LEU 17 HD11 LEU 17 -17.634 1.734 8.590 129 2HD1 LEU 17 HD12 LEU 17 -17.634 -0.028 8.545 130 3HD1 LEU 17 HD13 LEU 17 -16.473 0.878 7.576 131 1HD2 LEU 17 HD21 LEU 17 -16.005 -1.284 10.056 132 2HD2 LEU 17 HD22 LEU 17 -17.349 -0.425 10.808 133 3HD2 LEU 17 HD23 LEU 17 -15.728 -0.296 11.491 134 H VAL 18 HN VAL 18 -12.024 2.321 8.767 135 HA VAL 18 HA VAL 18 -10.167 0.242 8.052 136 HB VAL 18 HB VAL 18 -10.079 3.247 7.915 137 1HG1 VAL 18 HG11 VAL 18 -8.112 3.198 6.761 138 2HG1 VAL 18 HG12 VAL 18 -8.501 1.669 5.974 139 3HG1 VAL 18 HG13 VAL 18 -7.865 1.677 7.615 140 1HG2 VAL 18 HG21 VAL 18 -11.775 1.534 6.643 141 2HG2 VAL 18 HG22 VAL 18 -10.443 1.601 5.489 142 3HG2 VAL 18 HG23 VAL 18 -11.263 3.084 5.976 143 H CYS 19 HN CYS 19 -9.974 2.887 10.439 144 HA CYS 19 HA CYS 19 -7.259 2.295 11.237 145 1HB CYS 19 HB2 CYS 19 -9.542 3.878 12.356 146 2HB CYS 19 HB1 CYS 19 -8.004 3.774 13.208 147 H GLY 20 HN GLY 20 -10.426 1.197 12.351 148 1HA GLY 20 HA2 GLY 20 -10.918 -0.724 13.632 149 2HA GLY 20 HA1 GLY 20 -9.187 -1.000 13.804 150 H GLU 21 HN GLU 21 -8.101 -0.118 15.590 151 HA GLU 21 HA GLU 21 -9.578 0.363 17.977 152 1HB GLU 21 HB2 GLU 21 -6.732 0.956 17.115 153 2HB GLU 21 HB1 GLU 21 -7.290 1.150 18.778 154 1HG GLU 21 HG2 GLU 21 -7.967 -1.224 18.832 155 2HG GLU 21 HG1 GLU 21 -7.408 -1.421 17.172 156 H ARG 22 HN ARG 22 -10.234 2.318 18.958 157 HA ARG 22 HA ARG 22 -10.592 4.615 17.253 158 1HB ARG 22 HB2 ARG 22 -12.149 3.808 19.053 159 2HB ARG 22 HB1 ARG 22 -10.967 4.350 20.248 160 1HG ARG 22 HG2 ARG 22 -11.140 6.640 19.467 161 2HG ARG 22 HG1 ARG 22 -12.176 6.148 18.128 162 1HD ARG 22 HD2 ARG 22 -13.609 7.050 19.861 163 2HD ARG 22 HD1 ARG 22 -13.826 5.287 19.873 164 HE ARG 22 HE ARG 22 -12.273 5.186 21.799 165 1HH1 ARG 22 HH21 ARG 22 -11.925 8.293 20.712 166 2HH1 ARG 22 HH22 ARG 22 -12.204 9.070 22.235 167 1HH2 ARG 22 HH11 ARG 22 -13.270 6.173 23.817 168 2HH2 ARG 22 HH12 ARG 22 -12.966 7.869 23.993 169 H GLY 23 HN GLY 23 -8.006 4.518 17.036 170 1HA GLY 23 HA2 GLY 23 -6.833 6.363 19.073 171 2HA GLY 23 HA1 GLY 23 -5.882 5.262 18.073 172 H PHE 24 HN PHE 24 -8.551 6.953 16.618 173 HA PHE 24 HA PHE 24 -6.811 8.237 14.663 174 1HB PHE 24 HB2 PHE 24 -9.012 7.303 14.115 175 2HB PHE 24 HB1 PHE 24 -9.785 8.382 15.273 176 HD1 PHE 24 HD1 PHE 24 -8.206 8.127 11.960 177 HD2 PHE 24 HD2 PHE 24 -9.972 10.781 14.836 178 HE1 PHE 24 HE1 PHE 24 -8.394 9.886 10.223 179 HE2 PHE 24 HE2 PHE 24 -10.164 12.538 13.103 180 HZ PHE 24 HZ PHE 24 -9.374 12.094 10.793 181 H PHE 25 HN PHE 25 -6.509 10.517 14.409 182 HA PHE 25 HA PHE 25 -7.665 12.392 16.305 183 1HB PHE 25 HB2 PHE 25 -5.483 13.010 17.311 184 2HB PHE 25 HB1 PHE 25 -5.908 11.335 17.648 185 HD1 PHE 25 HD1 PHE 25 -4.945 9.521 16.089 186 HD2 PHE 25 HD2 PHE 25 -3.447 13.540 16.258 187 HE1 PHE 25 HE1 PHE 25 -2.815 8.767 15.068 188 HE2 PHE 25 HE2 PHE 25 -1.318 12.790 15.229 189 HZ PHE 25 HZ PHE 25 -1.002 10.402 14.636 190 H TYR 26 HN TYR 26 -5.043 11.905 13.898 191 HA TYR 26 HA TYR 26 -4.211 13.376 12.226 192 1HB TYR 26 HB2 TYR 26 -6.770 12.629 11.822 193 2HB TYR 26 HB1 TYR 26 -6.996 14.376 11.883 194 HD1 TYR 26 HD1 TYR 26 -4.967 15.688 10.565 195 HD2 TYR 26 HD2 TYR 26 -6.436 11.745 9.701 196 HE1 TYR 26 HE1 TYR 26 -4.115 15.880 8.246 197 HE2 TYR 26 HE2 TYR 26 -5.582 11.938 7.380 198 HH TYR 26 HH TYR 26 -5.074 14.119 5.785 199 H THR 27 HN THR 27 -3.732 14.615 14.625 200 HA THR 27 HA THR 27 -4.996 17.215 14.832 201 HB THR 27 HB THR 27 -3.108 17.478 16.549 202 HG1 THR 27 HG1 THR 27 -1.770 15.921 15.422 203 1HG2 THR 27 HG21 THR 27 -5.357 15.579 16.512 204 2HG2 THR 27 HG22 THR 27 -4.914 16.778 17.728 205 3HG2 THR 27 HG23 THR 27 -4.123 15.203 17.715 206 HA PRO 28 HA PRO 28 -2.100 18.917 11.822 207 1HB PRO 28 HB2 PRO 28 -3.225 21.396 11.632 208 2HB PRO 28 HB1 PRO 28 -3.896 19.976 10.808 209 1HG PRO 28 HG2 PRO 28 -4.814 21.340 13.273 210 2HG PRO 28 HG1 PRO 28 -5.752 20.529 12.013 211 1HD PRO 28 HD2 PRO 28 -5.145 19.451 14.486 212 2HD PRO 28 HD1 PRO 28 -5.621 18.518 13.052 213 H LYS 29 HN LYS 29 -0.366 20.484 11.986 214 HA LYS 29 HA LYS 29 0.506 21.095 14.658 215 1HB LYS 29 HB2 LYS 29 1.417 21.900 11.885 216 2HB LYS 29 HB1 LYS 29 2.303 22.342 13.347 217 1HG LYS 29 HG2 LYS 29 2.367 19.893 13.953 218 2HG LYS 29 HG1 LYS 29 1.689 19.542 12.364 219 1HD LYS 29 HD2 LYS 29 4.145 21.258 12.565 220 2HD LYS 29 HD1 LYS 29 4.298 19.506 12.702 221 1HE LYS 29 HE2 LYS 29 4.422 19.602 10.410 222 2HE LYS 29 HE1 LYS 29 2.656 19.713 10.515 223 1HZ LYS 29 HZ1 LYS 29 4.629 21.889 10.207 224 2HZ LYS 29 HZ2 LYS 29 3.105 22.211 10.888 225 3HZ LYS 29 HZ3 LYS 29 3.222 21.597 9.309 226 H THR 30 HN THR 30 -1.035 22.979 12.083 227 HA THR 30 HA THR 30 -1.952 24.966 14.018 228 HB THR 30 HB THR 30 -0.195 25.861 11.720 229 HG1 THR 30 HG1 THR 30 0.500 25.438 14.435 230 1HG2 THR 30 HG21 THR 30 -0.614 27.955 12.450 231 2HG2 THR 30 HG22 THR 30 -0.368 27.500 14.135 232 3HG2 THR 30 HG23 THR 30 -1.939 27.249 13.375 233 H ARG 31 HN ARG 31 -1.371 24.847 10.488 234 HA ARG 31 HA ARG 31 -2.843 25.210 8.673 235 1HB ARG 31 HB2 ARG 31 -4.574 23.644 10.612 236 2HB ARG 31 HB1 ARG 31 -4.867 23.786 8.879 237 1HG ARG 31 HG2 ARG 31 -2.294 22.688 10.042 238 2HG ARG 31 HG1 ARG 31 -3.657 21.671 9.578 239 1HD ARG 31 HD2 ARG 31 -3.485 22.354 7.267 240 2HD ARG 31 HD1 ARG 31 -2.295 23.607 7.672 241 HE ARG 31 HE ARG 31 -1.795 20.673 7.754 242 1HH1 ARG 31 HH11 ARG 31 -0.694 23.521 9.194 243 2HH1 ARG 31 HH12 ARG 31 0.965 23.303 8.752 244 1HH2 ARG 31 HH21 ARG 31 0.344 20.561 6.727 245 2HH2 ARG 31 HH22 ARG 31 1.552 21.631 7.359 246 H ARG 32 HN ARG 32 -5.502 25.702 8.416 247 HA ARG 32 HA ARG 32 -5.835 28.308 9.781 248 1HB ARG 32 HB2 ARG 32 -7.095 27.038 7.336 249 2HB ARG 32 HB1 ARG 32 -7.483 28.658 7.917 250 1HG ARG 32 HG2 ARG 32 -5.096 29.297 7.671 251 2HG ARG 32 HG1 ARG 32 -4.748 27.690 7.031 252 1HD ARG 32 HD2 ARG 32 -6.685 29.684 5.795 253 2HD ARG 32 HD1 ARG 32 -5.070 29.296 5.177 254 HE ARG 32 HE ARG 32 -6.118 26.818 5.297 255 1HH1 ARG 32 HH11 ARG 32 -8.464 29.165 5.148 256 2HH1 ARG 32 HH12 ARG 32 -9.101 28.704 3.606 257 1HH2 ARG 32 HH21 ARG 32 -6.545 26.470 2.911 258 2HH2 ARG 32 HH22 ARG 32 -8.021 27.179 2.344 259 H TYR 33 HN TYR 33 -7.853 28.837 10.801 260 HA TYR 33 HA TYR 33 -9.824 26.633 11.172 261 1HB TYR 33 HB2 TYR 33 -7.798 27.409 13.024 262 2HB TYR 33 HB1 TYR 33 -9.331 27.969 13.674 263 HD1 TYR 33 HD1 TYR 33 -7.889 24.928 12.007 264 HD2 TYR 33 HD2 TYR 33 -10.594 26.492 14.953 265 HE1 TYR 33 HE1 TYR 33 -8.442 22.621 12.720 266 HE2 TYR 33 HE2 TYR 33 -11.146 24.182 15.669 267 HH TYR 33 HH TYR 33 -10.336 21.453 13.853 268 HA PRO 34 HA PRO 34 -11.607 30.952 10.674 269 1HB PRO 34 HB2 PRO 34 -13.166 30.407 8.491 270 2HB PRO 34 HB1 PRO 34 -11.484 30.959 8.358 271 1HG PRO 34 HG2 PRO 34 -12.594 28.204 8.133 272 2HG PRO 34 HG1 PRO 34 -11.325 28.989 7.179 273 1HD PRO 34 HD2 PRO 34 -10.797 27.229 9.175 274 2HD PRO 34 HD1 PRO 34 -9.699 28.554 8.739 275 H GLY 35 HN GLY 35 -14.285 31.072 9.998 276 1HA GLY 35 HA2 GLY 35 -15.517 29.457 12.148 277 2HA GLY 35 HA1 GLY 35 -16.253 30.846 11.353 278 H ASP 36 HN ASP 36 -15.181 29.257 8.750 279 HA ASP 36 HA ASP 36 -17.789 27.982 8.268 280 1HB ASP 36 HB2 ASP 36 -15.318 28.553 6.621 281 2HB ASP 36 HB1 ASP 36 -16.723 27.714 5.963 282 H VAL 37 HN VAL 37 -16.226 26.584 10.226 283 HA VAL 37 HA VAL 37 -15.213 24.502 10.714 284 HB VAL 37 HB VAL 37 -17.637 24.174 10.529 285 1HG1 VAL 37 HG11 VAL 37 -18.474 23.052 8.387 286 2HG1 VAL 37 HG12 VAL 37 -17.000 23.635 7.623 287 3HG1 VAL 37 HG13 VAL 37 -18.156 24.781 8.292 288 1HG2 VAL 37 HG21 VAL 37 -16.895 21.651 9.289 289 2HG2 VAL 37 HG22 VAL 37 -17.311 21.990 10.968 290 3HG2 VAL 37 HG23 VAL 37 -15.649 22.187 10.417 291 H LYS 38 HN LYS 38 -13.360 25.413 9.114 292 HA LYS 38 HA LYS 38 -13.009 23.942 6.610 293 1HB LYS 38 HB2 LYS 38 -12.114 26.214 7.095 294 2HB LYS 38 HB1 LYS 38 -11.104 25.523 8.362 295 1HG LYS 38 HG2 LYS 38 -9.680 25.715 6.469 296 2HG LYS 38 HG1 LYS 38 -10.116 24.009 6.555 297 1HD LYS 38 HD2 LYS 38 -11.766 24.264 4.818 298 2HD LYS 38 HD1 LYS 38 -11.598 26.020 4.846 299 1HE LYS 38 HE2 LYS 38 -9.111 25.614 4.254 300 2HE LYS 38 HE1 LYS 38 -9.625 23.972 3.821 301 1HZ LYS 38 HZ1 LYS 38 -11.349 24.926 2.412 302 2HZ LYS 38 HZ2 LYS 38 -9.812 25.455 1.919 303 3HZ LYS 38 HZ3 LYS 38 -10.828 26.492 2.801 304 H ARG 39 HN ARG 39 -13.246 21.698 7.516 305 HA ARG 39 HA ARG 39 -11.414 20.657 9.479 306 1HB ARG 39 HB2 ARG 39 -13.163 19.427 7.331 307 2HB ARG 39 HB1 ARG 39 -12.266 18.463 8.504 308 1HG ARG 39 HG2 ARG 39 -13.434 19.612 10.348 309 2HG ARG 39 HG1 ARG 39 -14.335 20.575 9.176 310 1HD ARG 39 HD2 ARG 39 -15.279 18.470 8.212 311 2HD ARG 39 HD1 ARG 39 -14.449 17.553 9.485 312 HE ARG 39 HE ARG 39 -16.350 19.756 10.181 313 1HH1 ARG 39 HH11 ARG 39 -14.574 17.543 11.756 314 2HH1 ARG 39 HH12 ARG 39 -15.882 16.660 12.468 315 1HH2 ARG 39 HH21 ARG 39 -18.317 18.182 10.524 316 2HH2 ARG 39 HH22 ARG 39 -18.002 17.022 11.771 317 H GLY 40 HN GLY 40 -11.495 20.746 5.945 318 1HA GLY 40 HA2 GLY 40 -9.593 20.819 4.502 319 2HA GLY 40 HA1 GLY 40 -8.573 20.335 5.858 320 H ILE 41 HN ILE 41 -9.798 18.037 6.740 321 HA ILE 41 HA ILE 41 -8.884 16.049 4.901 322 HB ILE 41 HB ILE 41 -10.792 15.888 7.261 323 1HG1 ILE 41 HG12 ILE 41 -7.809 15.355 7.149 324 2HG1 ILE 41 HG11 ILE 41 -8.494 16.898 7.657 325 1HG2 ILE 41 HG21 ILE 41 -10.628 13.595 7.205 326 2HG2 ILE 41 HG22 ILE 41 -9.013 13.622 6.501 327 3HG2 ILE 41 HG23 ILE 41 -10.423 13.891 5.480 328 1HD1 ILE 41 HD11 ILE 41 -8.462 15.953 9.730 329 2HD1 ILE 41 HD12 ILE 41 -8.410 14.312 9.087 330 3HD1 ILE 41 HD13 ILE 41 -9.948 15.170 9.190 331 H VAL 42 HN VAL 42 -12.207 17.073 5.742 332 HA VAL 42 HA VAL 42 -13.588 15.313 3.982 333 HB VAL 42 HB VAL 42 -14.205 18.028 5.126 334 1HG1 VAL 42 HG11 VAL 42 -16.656 16.911 4.633 335 2HG1 VAL 42 HG12 VAL 42 -15.747 16.388 3.215 336 3HG1 VAL 42 HG13 VAL 42 -15.887 18.105 3.587 337 1HG2 VAL 42 HG21 VAL 42 -13.866 15.985 6.615 338 2HG2 VAL 42 HG22 VAL 42 -15.319 15.320 5.868 339 3HG2 VAL 42 HG23 VAL 42 -15.411 16.816 6.798 340 H GLU 43 HN GLU 43 -12.564 18.698 3.459 341 HA GLU 43 HA GLU 43 -13.485 18.977 0.786 342 1HB GLU 43 HB2 GLU 43 -11.173 20.182 2.330 343 2HB GLU 43 HB1 GLU 43 -11.670 20.761 0.740 344 1HG GLU 43 HG2 GLU 43 -13.910 21.264 1.585 345 2HG GLU 43 HG1 GLU 43 -13.486 20.606 3.163 346 H GLN 44 HN GLN 44 -10.386 17.771 2.047 347 HA GLN 44 HA GLN 44 -8.961 17.553 -0.400 348 1HB GLN 44 HB2 GLN 44 -7.998 17.385 1.860 349 2HB GLN 44 HB1 GLN 44 -8.851 15.865 2.121 350 1HG GLN 44 HG2 GLN 44 -7.602 14.817 0.290 351 2HG GLN 44 HG1 GLN 44 -6.787 16.343 -0.051 352 1HE2 GLN 44 HE21 GLN 44 -5.140 14.202 0.555 353 2HE2 GLN 44 HE22 GLN 44 -4.494 14.368 2.116 354 H CYS 45 HN CYS 45 -11.015 15.079 1.221 355 HA CYS 45 HA CYS 45 -10.616 13.198 -1.008 356 1HB CYS 45 HB2 CYS 45 -12.208 13.182 1.564 357 2HB CYS 45 HB1 CYS 45 -12.214 11.829 0.436 358 H CYS 46 HN CYS 46 -12.898 15.701 -0.293 359 HA CYS 46 HA CYS 46 -15.234 14.552 -1.536 360 1HB CYS 46 HB2 CYS 46 -14.299 17.110 -0.452 361 2HB CYS 46 HB1 CYS 46 -15.414 17.309 -1.800 362 H THR 47 HN THR 47 -12.672 16.701 -2.843 363 HA THR 47 HA THR 47 -13.874 16.833 -5.495 364 HB THR 47 HB THR 47 -11.590 17.832 -6.009 365 HG1 THR 47 HG1 THR 47 -10.237 16.944 -4.604 366 1HG2 THR 47 HG21 THR 47 -13.705 18.813 -4.343 367 2HG2 THR 47 HG22 THR 47 -12.627 19.726 -5.398 368 3HG2 THR 47 HG23 THR 47 -12.172 19.425 -3.722 369 H SER 48 HN SER 48 -11.290 14.912 -3.997 370 HA SER 48 HA SER 48 -11.262 13.175 -6.446 371 1HB SER 48 HB2 SER 48 -8.991 14.000 -4.609 372 2HB SER 48 HB1 SER 48 -8.837 12.899 -5.975 373 HG SER 48 HG SER 48 -8.390 14.765 -6.917 374 H ILE 49 HN ILE 49 -11.281 10.955 -6.036 375 HA ILE 49 HA ILE 49 -12.252 10.022 -3.480 376 HB ILE 49 HB ILE 49 -11.064 8.579 -5.879 377 1HG1 ILE 49 HG12 ILE 49 -13.974 9.047 -5.172 378 2HG1 ILE 49 HG11 ILE 49 -13.069 10.090 -6.270 379 1HG2 ILE 49 HG21 ILE 49 -12.153 7.631 -3.316 380 2HG2 ILE 49 HG22 ILE 49 -11.197 6.768 -4.520 381 3HG2 ILE 49 HG23 ILE 49 -12.943 6.910 -4.718 382 1HD1 ILE 49 HD11 ILE 49 -13.765 7.170 -6.617 383 2HD1 ILE 49 HD12 ILE 49 -12.481 7.935 -7.553 384 3HD1 ILE 49 HD13 ILE 49 -14.140 8.518 -7.690 385 H CYS 50 HN CYS 50 -11.055 9.451 -1.704 386 HA CYS 50 HA CYS 50 -8.110 9.518 -1.861 387 1HB CYS 50 HB2 CYS 50 -10.212 9.326 0.307 388 2HB CYS 50 HB1 CYS 50 -8.497 9.130 0.678 389 H SER 51 HN SER 51 -6.974 7.684 -2.258 390 HA SER 51 HA SER 51 -8.268 5.073 -2.342 391 1HB SER 51 HB2 SER 51 -6.103 4.389 -3.220 392 2HB SER 51 HB1 SER 51 -6.533 5.944 -3.923 393 HG SER 51 HG SER 51 -5.128 6.943 -2.543 394 H LEU 52 HN LEU 52 -7.418 3.185 -1.208 395 HA LEU 52 HA LEU 52 -7.344 3.399 1.602 396 1HB LEU 52 HB2 LEU 52 -7.915 1.374 0.329 397 2HB LEU 52 HB1 LEU 52 -6.254 1.255 -0.250 398 HG LEU 52 HG LEU 52 -5.478 1.017 2.103 399 1HD1 LEU 52 HD11 LEU 52 -7.158 0.590 3.864 400 2HD1 LEU 52 HD12 LEU 52 -8.449 0.931 2.713 401 3HD1 LEU 52 HD13 LEU 52 -7.336 2.211 3.195 402 1HD2 LEU 52 HD21 LEU 52 -6.262 -0.924 0.548 403 2HD2 LEU 52 HD22 LEU 52 -7.645 -1.023 1.637 404 3HD2 LEU 52 HD23 LEU 52 -6.013 -1.266 2.260 405 H TYR 53 HN TYR 53 -4.659 3.272 -0.726 406 HA TYR 53 HA TYR 53 -2.509 2.892 1.077 407 1HB TYR 53 HB2 TYR 53 -2.389 2.771 -1.373 408 2HB TYR 53 HB1 TYR 53 -2.681 4.500 -1.466 409 HD1 TYR 53 HD1 TYR 53 -0.958 6.119 -0.857 410 HD2 TYR 53 HD2 TYR 53 -0.252 1.893 -0.555 411 HE1 TYR 53 HE1 TYR 53 1.472 6.543 -0.602 412 HE2 TYR 53 HE2 TYR 53 2.178 2.317 -0.301 413 HH TYR 53 HH TYR 53 3.710 4.795 -1.172 414 H GLN 54 HN GLN 54 -4.085 5.937 0.049 415 HA GLN 54 HA GLN 54 -2.327 7.670 1.567 416 1HB GLN 54 HB2 GLN 54 -5.168 8.023 0.549 417 2HB GLN 54 HB1 GLN 54 -4.115 9.330 1.089 418 1HG GLN 54 HG2 GLN 54 -2.491 8.763 -0.679 419 2HG GLN 54 HG1 GLN 54 -3.540 7.453 -1.223 420 1HE2 GLN 54 HE21 GLN 54 -3.238 9.045 -3.266 421 2HE2 GLN 54 HE22 GLN 54 -4.475 10.192 -3.454 422 H LEU 55 HN LEU 55 -5.580 6.314 2.205 423 HA LEU 55 HA LEU 55 -6.041 7.571 4.717 424 1HB LEU 55 HB2 LEU 55 -6.936 4.941 3.510 425 2HB LEU 55 HB1 LEU 55 -7.613 5.595 5.001 426 HG LEU 55 HG LEU 55 -7.567 7.066 2.350 427 1HD1 LEU 55 HD11 LEU 55 -10.038 6.633 2.389 428 2HD1 LEU 55 HD12 LEU 55 -9.783 5.551 3.758 429 3HD1 LEU 55 HD13 LEU 55 -9.074 5.169 2.189 430 1HD2 LEU 55 HD21 LEU 55 -9.328 8.446 3.639 431 2HD2 LEU 55 HD22 LEU 55 -7.640 8.668 4.102 432 3HD2 LEU 55 HD23 LEU 55 -8.699 7.662 5.089 433 H GLU 56 HN GLU 56 -4.521 4.428 3.982 434 HA GLU 56 HA GLU 56 -4.090 3.549 6.663 435 1HB GLU 56 HB2 GLU 56 -2.599 3.121 4.058 436 2HB GLU 56 HB1 GLU 56 -2.236 2.222 5.531 437 1HG GLU 56 HG2 GLU 56 -4.535 1.379 5.616 438 2HG GLU 56 HG1 GLU 56 -4.953 2.318 4.186 439 H ASN 57 HN ASN 57 -2.123 5.586 4.516 440 HA ASN 57 HA ASN 57 0.210 5.807 6.132 441 1HB ASN 57 HB2 ASN 57 -0.078 6.504 3.754 442 2HB ASN 57 HB1 ASN 57 -1.078 7.852 4.295 443 1HD2 ASN 57 HD21 ASN 57 0.633 9.276 3.297 444 2HD2 ASN 57 HD22 ASN 57 2.050 9.597 4.173 445 H TYR 58 HN TYR 58 -2.684 7.940 6.034 446 HA TYR 58 HA TYR 58 -1.803 9.766 8.057 447 1HB TYR 58 HB2 TYR 58 -4.569 8.888 7.180 448 2HB TYR 58 HB1 TYR 58 -4.234 10.308 8.171 449 HD1 TYR 58 HD1 TYR 58 -2.141 11.759 7.138 450 HD2 TYR 58 HD2 TYR 58 -4.896 9.325 4.919 451 HE1 TYR 58 HE1 TYR 58 -1.654 13.074 5.094 452 HE2 TYR 58 HE2 TYR 58 -4.410 10.639 2.873 453 HH TYR 58 HH TYR 58 -1.799 12.910 2.722 454 H CYS 59 HN CYS 59 -3.695 6.749 8.294 455 HA CYS 59 HA CYS 59 -3.937 7.035 11.226 456 1HB CYS 59 HB2 CYS 59 -5.677 6.166 9.502 457 2HB CYS 59 HB1 CYS 59 -4.746 4.670 9.535 458 H ASN 60 HN ASN 60 -1.240 6.858 10.570 459 HA ASN 60 HA ASN 60 -0.167 4.186 10.493 460 1HB ASN 60 HB2 ASN 60 0.839 6.895 11.376 461 2HB ASN 60 HB1 ASN 60 1.861 5.463 11.491 462 1HD2 ASN 60 HD21 ASN 60 2.263 7.789 9.684 463 2HD2 ASN 60 HD22 ASN 60 2.225 7.168 8.104 Start of MODEL 16 1 1H PHE 1 HT1 PHE 1 -20.833 -3.647 -3.815 2 2H PHE 1 HT2 PHE 1 -19.992 -3.232 -2.398 3 3H PHE 1 HT3 PHE 1 -19.540 -4.609 -3.286 4 HA PHE 1 HA PHE 1 -17.988 -2.777 -3.682 5 1HB PHE 1 HB2 PHE 1 -18.546 -4.541 -5.350 6 2HB PHE 1 HB1 PHE 1 -19.824 -3.507 -5.989 7 HD1 PHE 1 HD1 PHE 1 -16.174 -3.925 -5.615 8 HD2 PHE 1 HD2 PHE 1 -19.314 -1.552 -7.337 9 HE1 PHE 1 HE1 PHE 1 -14.516 -2.782 -7.061 10 HE2 PHE 1 HE2 PHE 1 -17.654 -0.407 -8.782 11 HZ PHE 1 HZ PHE 1 -15.256 -1.022 -8.644 12 H VAL 2 HN VAL 2 -17.815 -0.564 -3.738 13 HA VAL 2 HA VAL 2 -20.143 1.029 -4.638 14 HB VAL 2 HB VAL 2 -19.587 2.556 -2.757 15 1HG1 VAL 2 HG11 VAL 2 -21.098 0.403 -2.610 16 2HG1 VAL 2 HG12 VAL 2 -20.694 1.296 -1.143 17 3HG1 VAL 2 HG13 VAL 2 -19.814 -0.178 -1.549 18 1HG2 VAL 2 HG21 VAL 2 -17.172 1.969 -2.619 19 2HG2 VAL 2 HG22 VAL 2 -17.615 0.386 -1.980 20 3HG2 VAL 2 HG23 VAL 2 -17.973 1.842 -1.052 21 H ASN 3 HN ASN 3 -19.539 3.188 -5.384 22 HA ASN 3 HA ASN 3 -16.691 3.745 -5.940 23 1HB ASN 3 HB2 ASN 3 -17.524 2.179 -7.722 24 2HB ASN 3 HB1 ASN 3 -18.763 3.365 -8.133 25 1HD2 ASN 3 HD21 ASN 3 -17.845 3.726 -10.279 26 2HD2 ASN 3 HD22 ASN 3 -16.388 4.572 -10.484 27 H GLN 4 HN GLN 4 -17.412 5.514 -4.485 28 HA GLN 4 HA GLN 4 -18.621 7.764 -6.015 29 1HB GLN 4 HB2 GLN 4 -19.565 6.825 -3.281 30 2HB GLN 4 HB1 GLN 4 -20.229 8.168 -4.205 31 1HG GLN 4 HG2 GLN 4 -20.886 6.549 -6.001 32 2HG GLN 4 HG1 GLN 4 -20.324 5.230 -4.967 33 1HE2 GLN 4 HE21 GLN 4 -22.492 4.343 -4.696 34 2HE2 GLN 4 HE22 GLN 4 -23.661 5.137 -3.755 35 H HIS 5 HN HIS 5 -18.357 9.834 -4.704 36 HA HIS 5 HA HIS 5 -15.660 10.001 -3.602 37 1HB HIS 5 HB2 HIS 5 -17.981 11.946 -3.834 38 2HB HIS 5 HB1 HIS 5 -16.352 12.404 -3.336 39 HD1 HIS 5 HD1 HIS 5 -14.422 11.555 -5.170 40 HD2 HIS 5 HD2 HIS 5 -18.308 12.115 -6.569 41 HE1 HIS 5 HE1 HIS 5 -14.250 11.791 -7.686 42 H LEU 6 HN LEU 6 -15.098 10.192 -1.413 43 HA LEU 6 HA LEU 6 -17.118 9.398 0.551 44 1HB LEU 6 HB2 LEU 6 -14.143 9.946 0.627 45 2HB LEU 6 HB1 LEU 6 -15.062 9.417 2.036 46 HG LEU 6 HG LEU 6 -15.006 7.912 -0.591 47 1HD1 LEU 6 HD11 LEU 6 -13.650 6.816 1.810 48 2HD1 LEU 6 HD12 LEU 6 -12.842 8.174 1.028 49 3HD1 LEU 6 HD13 LEU 6 -13.192 6.709 0.111 50 1HD2 LEU 6 HD21 LEU 6 -15.661 6.125 1.348 51 2HD2 LEU 6 HD22 LEU 6 -16.860 7.046 0.440 52 3HD2 LEU 6 HD23 LEU 6 -16.353 7.593 2.038 53 H CYS 7 HN CYS 7 -18.430 11.037 1.238 54 HA CYS 7 HA CYS 7 -17.182 13.438 2.458 55 1HB CYS 7 HB2 CYS 7 -17.844 13.617 -0.101 56 2HB CYS 7 HB1 CYS 7 -19.475 13.785 0.544 57 H GLY 8 HN GLY 8 -19.047 14.770 3.521 58 1HA GLY 8 HA2 GLY 8 -20.755 14.819 5.118 59 2HA GLY 8 HA1 GLY 8 -21.630 13.777 3.996 60 H SER 9 HN SER 9 -22.436 12.123 5.257 61 HA SER 9 HA SER 9 -21.152 11.142 7.661 62 1HB SER 9 HB2 SER 9 -23.608 11.159 7.104 63 2HB SER 9 HB1 SER 9 -23.303 9.867 5.946 64 HG SER 9 HG SER 9 -23.893 9.470 8.358 65 H HIS 10 HN HIS 10 -21.213 10.028 4.301 66 HA HIS 10 HA HIS 10 -20.159 7.411 4.660 67 1HB HIS 10 HB2 HIS 10 -19.972 9.446 2.427 68 2HB HIS 10 HB1 HIS 10 -19.395 7.788 2.256 69 HD1 HIS 10 HD1 HIS 10 -21.747 8.717 0.514 70 HD2 HIS 10 HD2 HIS 10 -22.240 6.903 4.235 71 HE1 HIS 10 HE1 HIS 10 -24.083 7.739 0.531 72 H LEU 11 HN LEU 11 -18.491 10.536 4.323 73 HA LEU 11 HA LEU 11 -15.822 9.568 4.067 74 1HB LEU 11 HB2 LEU 11 -16.562 11.897 3.706 75 2HB LEU 11 HB1 LEU 11 -16.908 12.058 5.428 76 HG LEU 11 HG LEU 11 -14.499 11.552 5.906 77 1HD1 LEU 11 HD11 LEU 11 -13.535 10.446 4.142 78 2HD1 LEU 11 HD12 LEU 11 -13.118 12.087 3.650 79 3HD1 LEU 11 HD13 LEU 11 -14.520 11.284 2.943 80 1HD2 LEU 11 HD21 LEU 11 -13.834 13.764 5.589 81 2HD2 LEU 11 HD22 LEU 11 -15.584 13.913 5.424 82 3HD2 LEU 11 HD23 LEU 11 -14.563 13.859 3.987 83 H VAL 12 HN VAL 12 -17.690 10.377 7.015 84 HA VAL 12 HA VAL 12 -15.632 9.894 8.932 85 HB VAL 12 HB VAL 12 -18.658 9.645 8.995 86 1HG1 VAL 12 HG11 VAL 12 -16.761 9.771 11.362 87 2HG1 VAL 12 HG12 VAL 12 -17.620 8.321 10.841 88 3HG1 VAL 12 HG13 VAL 12 -18.523 9.716 11.433 89 1HG2 VAL 12 HG21 VAL 12 -16.893 11.797 10.173 90 2HG2 VAL 12 HG22 VAL 12 -18.627 11.862 9.861 91 3HG2 VAL 12 HG23 VAL 12 -17.488 11.875 8.515 92 H GLU 13 HN GLU 13 -18.070 7.697 7.548 93 HA GLU 13 HA GLU 13 -17.472 5.395 9.087 94 1HB GLU 13 HB2 GLU 13 -18.513 5.812 6.280 95 2HB GLU 13 HB1 GLU 13 -18.497 4.233 7.067 96 1HG GLU 13 HG2 GLU 13 -19.851 5.139 8.922 97 2HG GLU 13 HG1 GLU 13 -19.871 6.716 8.139 98 H ALA 14 HN ALA 14 -16.132 6.389 5.929 99 HA ALA 14 HA ALA 14 -14.427 4.126 5.569 100 1HB ALA 14 HB1 ALA 14 -15.166 6.449 4.197 101 2HB ALA 14 HB2 ALA 14 -14.078 5.194 3.607 102 3HB ALA 14 HB3 ALA 14 -13.424 6.613 4.423 103 H LEU 15 HN LEU 15 -13.813 7.324 7.022 104 HA LEU 15 HA LEU 15 -11.013 7.057 7.446 105 1HB LEU 15 HB2 LEU 15 -13.203 8.526 8.942 106 2HB LEU 15 HB1 LEU 15 -11.482 8.789 9.235 107 HG LEU 15 HG LEU 15 -12.793 9.069 6.517 108 1HD1 LEU 15 HD11 LEU 15 -12.680 11.474 6.861 109 2HD1 LEU 15 HD12 LEU 15 -11.934 11.248 8.443 110 3HD1 LEU 15 HD13 LEU 15 -13.607 10.757 8.179 111 1HD2 LEU 15 HD21 LEU 15 -10.513 8.693 6.140 112 2HD2 LEU 15 HD22 LEU 15 -10.032 9.501 7.632 113 3HD2 LEU 15 HD23 LEU 15 -10.579 10.451 6.250 114 H TYR 16 HN TYR 16 -13.729 6.209 9.631 115 HA TYR 16 HA TYR 16 -12.140 5.316 11.834 116 1HB TYR 16 HB2 TYR 16 -14.923 4.881 10.805 117 2HB TYR 16 HB1 TYR 16 -14.356 3.890 12.149 118 HD1 TYR 16 HD1 TYR 16 -15.068 4.696 14.203 119 HD2 TYR 16 HD2 TYR 16 -13.918 7.495 11.154 120 HE1 TYR 16 HE1 TYR 16 -15.465 6.571 15.775 121 HE2 TYR 16 HE2 TYR 16 -14.316 9.370 12.726 122 HH TYR 16 HH TYR 16 -15.813 9.703 14.847 123 H LEU 17 HN LEU 17 -13.389 3.571 8.990 124 HA LEU 17 HA LEU 17 -12.616 0.949 9.728 125 1HB LEU 17 HB2 LEU 17 -12.884 2.356 7.088 126 2HB LEU 17 HB1 LEU 17 -12.623 0.623 7.211 127 HG LEU 17 HG LEU 17 -14.912 2.065 8.575 128 1HD1 LEU 17 HD11 LEU 17 -15.269 0.333 6.156 129 2HD1 LEU 17 HD12 LEU 17 -14.753 2.004 5.925 130 3HD1 LEU 17 HD13 LEU 17 -16.278 1.656 6.741 131 1HD2 LEU 17 HD21 LEU 17 -15.013 -0.813 7.833 132 2HD2 LEU 17 HD22 LEU 17 -15.591 -0.008 9.291 133 3HD2 LEU 17 HD23 LEU 17 -13.881 -0.395 9.117 134 H VAL 18 HN VAL 18 -10.799 3.515 8.086 135 HA VAL 18 HA VAL 18 -8.474 1.953 7.460 136 HB VAL 18 HB VAL 18 -8.761 4.907 7.960 137 1HG1 VAL 18 HG11 VAL 18 -6.452 3.543 7.575 138 2HG1 VAL 18 HG12 VAL 18 -6.705 5.197 7.025 139 3HG1 VAL 18 HG13 VAL 18 -6.914 3.855 5.902 140 1HG2 VAL 18 HG21 VAL 18 -8.762 4.151 5.169 141 2HG2 VAL 18 HG22 VAL 18 -9.977 5.059 6.066 142 3HG2 VAL 18 HG23 VAL 18 -10.052 3.299 6.018 143 H CYS 19 HN CYS 19 -9.133 4.206 10.158 144 HA CYS 19 HA CYS 19 -6.586 3.800 11.457 145 1HB CYS 19 HB2 CYS 19 -9.272 4.847 12.304 146 2HB CYS 19 HB1 CYS 19 -7.879 4.867 13.381 147 H GLY 20 HN GLY 20 -9.829 2.437 12.006 148 1HA GLY 20 HA2 GLY 20 -10.532 0.556 13.197 149 2HA GLY 20 HA1 GLY 20 -8.970 -0.127 12.765 150 H GLU 21 HN GLU 21 -8.901 2.795 14.655 151 HA GLU 21 HA GLU 21 -8.461 1.195 17.122 152 1HB GLU 21 HB2 GLU 21 -6.741 3.349 15.881 153 2HB GLU 21 HB1 GLU 21 -6.531 2.803 17.545 154 1HG GLU 21 HG2 GLU 21 -6.184 0.492 16.748 155 2HG GLU 21 HG1 GLU 21 -6.391 1.034 15.084 156 H ARG 22 HN ARG 22 -9.465 2.037 18.900 157 HA ARG 22 HA ARG 22 -11.303 4.206 18.712 158 1HB ARG 22 HB2 ARG 22 -11.524 3.844 21.145 159 2HB ARG 22 HB1 ARG 22 -11.475 2.311 20.280 160 1HG ARG 22 HG2 ARG 22 -8.986 2.224 20.773 161 2HG ARG 22 HG1 ARG 22 -9.221 3.618 21.826 162 1HD ARG 22 HD2 ARG 22 -10.465 2.405 23.383 163 2HD ARG 22 HD1 ARG 22 -10.985 1.207 22.181 164 HE ARG 22 HE ARG 22 -8.186 1.379 23.237 165 1HH1 ARG 22 HH11 ARG 22 -10.102 -0.153 20.937 166 2HH1 ARG 22 HH12 ARG 22 -9.668 -1.766 21.396 167 1HH2 ARG 22 HH21 ARG 22 -7.944 -0.783 24.237 168 2HH2 ARG 22 HH22 ARG 22 -8.448 -2.121 23.261 169 H GLY 23 HN GLY 23 -7.991 4.051 20.016 170 1HA GLY 23 HA2 GLY 23 -8.100 6.918 20.746 171 2HA GLY 23 HA1 GLY 23 -6.766 5.816 21.089 172 H PHE 24 HN PHE 24 -8.406 6.568 18.008 173 HA PHE 24 HA PHE 24 -5.854 6.741 16.607 174 1HB PHE 24 HB2 PHE 24 -7.274 6.984 14.663 175 2HB PHE 24 HB1 PHE 24 -8.048 5.819 15.730 176 HD1 PHE 24 HD1 PHE 24 -8.215 9.189 14.291 177 HD2 PHE 24 HD2 PHE 24 -10.103 6.425 16.987 178 HE1 PHE 24 HE1 PHE 24 -10.256 10.598 14.307 179 HE2 PHE 24 HE2 PHE 24 -12.141 7.839 17.004 180 HZ PHE 24 HZ PHE 24 -12.217 9.924 15.664 181 H PHE 25 HN PHE 25 -4.719 8.620 16.104 182 HA PHE 25 HA PHE 25 -5.524 11.117 17.357 183 1HB PHE 25 HB2 PHE 25 -3.231 10.351 15.525 184 2HB PHE 25 HB1 PHE 25 -3.341 11.867 16.419 185 HD1 PHE 25 HD1 PHE 25 -4.069 11.395 19.040 186 HD2 PHE 25 HD2 PHE 25 -1.839 8.758 16.486 187 HE1 PHE 25 HE1 PHE 25 -3.086 10.295 21.033 188 HE2 PHE 25 HE2 PHE 25 -0.857 7.657 18.479 189 HZ PHE 25 HZ PHE 25 -1.481 8.426 20.753 190 H TYR 26 HN TYR 26 -4.542 10.393 13.993 191 HA TYR 26 HA TYR 26 -5.197 11.386 11.955 192 1HB TYR 26 HB2 TYR 26 -7.178 9.995 12.782 193 2HB TYR 26 HB1 TYR 26 -7.895 11.514 13.323 194 HD1 TYR 26 HD1 TYR 26 -8.871 13.055 11.768 195 HD2 TYR 26 HD2 TYR 26 -6.613 9.688 10.349 196 HE1 TYR 26 HE1 TYR 26 -9.628 13.524 9.454 197 HE2 TYR 26 HE2 TYR 26 -7.372 10.154 8.035 198 HH TYR 26 HH TYR 26 -9.927 12.182 7.310 199 H THR 27 HN THR 27 -4.079 13.240 13.752 200 HA THR 27 HA THR 27 -5.754 15.575 14.090 201 HB THR 27 HB THR 27 -2.748 15.172 14.141 202 HG1 THR 27 HG1 THR 27 -3.920 13.923 15.641 203 1HG2 THR 27 HG21 THR 27 -4.211 17.332 15.630 204 2HG2 THR 27 HG22 THR 27 -3.777 17.587 13.941 205 3HG2 THR 27 HG23 THR 27 -2.520 17.271 15.135 206 HA PRO 28 HA PRO 28 -5.115 17.045 9.912 207 1HB PRO 28 HB2 PRO 28 -6.422 19.432 10.143 208 2HB PRO 28 HB1 PRO 28 -7.273 17.882 10.006 209 1HG PRO 28 HG2 PRO 28 -6.844 19.598 12.371 210 2HG PRO 28 HG1 PRO 28 -8.178 18.499 11.995 211 1HD PRO 28 HD2 PRO 28 -6.066 17.985 13.750 212 2HD PRO 28 HD1 PRO 28 -7.195 16.785 13.088 213 H LYS 29 HN LYS 29 -3.798 18.672 8.867 214 HA LYS 29 HA LYS 29 -1.592 19.691 10.376 215 1HB LYS 29 HB2 LYS 29 -1.391 19.160 8.024 216 2HB LYS 29 HB1 LYS 29 -2.696 20.268 7.609 217 1HG LYS 29 HG2 LYS 29 -0.513 21.282 7.086 218 2HG LYS 29 HG1 LYS 29 -1.312 22.176 8.378 219 1HD LYS 29 HD2 LYS 29 0.022 20.872 10.044 220 2HD LYS 29 HD1 LYS 29 0.887 20.115 8.706 221 1HE LYS 29 HE2 LYS 29 2.228 21.993 9.475 222 2HE LYS 29 HE1 LYS 29 1.514 22.455 7.919 223 1HZ LYS 29 HZ1 LYS 29 -0.140 22.985 10.265 224 2HZ LYS 29 HZ2 LYS 29 0.131 23.935 8.883 225 3HZ LYS 29 HZ3 LYS 29 1.268 23.922 10.143 226 H THR 30 HN THR 30 -4.581 21.181 9.174 227 HA THR 30 HA THR 30 -5.623 23.220 9.707 228 HB THR 30 HB THR 30 -3.797 23.073 12.124 229 HG1 THR 30 HG1 THR 30 -5.499 21.888 13.039 230 1HG2 THR 30 HG21 THR 30 -6.583 24.085 12.266 231 2HG2 THR 30 HG22 THR 30 -5.422 25.110 11.424 232 3HG2 THR 30 HG23 THR 30 -5.136 24.649 13.101 233 H ARG 31 HN ARG 31 -4.298 24.036 7.796 234 HA ARG 31 HA ARG 31 -1.824 25.437 8.173 235 1HB ARG 31 HB2 ARG 31 -4.054 25.683 6.128 236 2HB ARG 31 HB1 ARG 31 -2.484 26.466 5.962 237 1HG ARG 31 HG2 ARG 31 -1.454 24.139 6.230 238 2HG ARG 31 HG1 ARG 31 -3.083 23.502 6.010 239 1HD ARG 31 HD2 ARG 31 -1.539 25.226 4.032 240 2HD ARG 31 HD1 ARG 31 -1.986 23.522 3.830 241 HE ARG 31 HE ARG 31 -4.022 25.712 4.065 242 1HH1 ARG 31 HH21 ARG 31 -4.272 22.515 4.108 243 2HH1 ARG 31 HH22 ARG 31 -5.029 22.304 2.564 244 1HH2 ARG 31 HH11 ARG 31 -4.393 25.546 1.512 245 2HH2 ARG 31 HH12 ARG 31 -5.099 24.020 1.094 246 H ARG 32 HN ARG 32 -5.223 26.431 8.231 247 HA ARG 32 HA ARG 32 -4.493 29.197 8.952 248 1HB ARG 32 HB2 ARG 32 -7.049 27.735 8.245 249 2HB ARG 32 HB1 ARG 32 -7.019 29.438 8.708 250 1HG ARG 32 HG2 ARG 32 -5.612 30.005 6.835 251 2HG ARG 32 HG1 ARG 32 -5.347 28.305 6.450 252 1HD ARG 32 HD2 ARG 32 -7.044 29.410 4.947 253 2HD ARG 32 HD1 ARG 32 -7.716 28.038 5.849 254 HE ARG 32 HE ARG 32 -8.713 29.663 7.427 255 1HH1 ARG 32 HH21 ARG 32 -7.016 32.031 6.966 256 2HH1 ARG 32 HH22 ARG 32 -8.010 33.028 5.957 257 1HH2 ARG 32 HH11 ARG 32 -10.149 30.447 5.064 258 2HH2 ARG 32 HH12 ARG 32 -9.786 32.130 4.878 259 H TYR 33 HN TYR 33 -4.715 29.949 11.051 260 HA TYR 33 HA TYR 33 -5.215 28.037 13.197 261 1HB TYR 33 HB2 TYR 33 -4.075 30.674 12.789 262 2HB TYR 33 HB1 TYR 33 -5.131 30.670 14.200 263 HD1 TYR 33 HD1 TYR 33 -2.298 28.825 12.610 264 HD2 TYR 33 HD2 TYR 33 -4.443 29.692 16.229 265 HE1 TYR 33 HE1 TYR 33 -0.561 27.639 13.925 266 HE2 TYR 33 HE2 TYR 33 -2.707 28.507 17.544 267 HH TYR 33 HH TYR 33 0.234 27.882 16.559 268 HA PRO 34 HA PRO 34 -9.066 30.710 14.036 269 1HB PRO 34 HB2 PRO 34 -9.852 32.554 12.172 270 2HB PRO 34 HB1 PRO 34 -8.753 32.937 13.512 271 1HG PRO 34 HG2 PRO 34 -8.140 32.405 10.654 272 2HG PRO 34 HG1 PRO 34 -7.390 33.548 11.779 273 1HD PRO 34 HD2 PRO 34 -6.289 31.149 11.069 274 2HD PRO 34 HD1 PRO 34 -5.940 31.985 12.597 275 H GLY 35 HN GLY 35 -10.937 29.598 13.656 276 1HA GLY 35 HA2 GLY 35 -12.752 28.821 12.241 277 2HA GLY 35 HA1 GLY 35 -11.649 28.854 10.864 278 H ASP 36 HN ASP 36 -9.528 27.552 12.645 279 HA ASP 36 HA ASP 36 -8.722 25.354 12.921 280 1HB ASP 36 HB2 ASP 36 -11.599 25.120 13.865 281 2HB ASP 36 HB1 ASP 36 -10.326 23.956 14.234 282 H VAL 37 HN VAL 37 -9.705 25.965 10.290 283 HA VAL 37 HA VAL 37 -10.291 24.887 8.268 284 HB VAL 37 HB VAL 37 -9.609 22.452 9.961 285 1HG1 VAL 37 HG11 VAL 37 -8.732 21.795 7.545 286 2HG1 VAL 37 HG12 VAL 37 -9.969 22.939 7.029 287 3HG1 VAL 37 HG13 VAL 37 -10.415 21.532 7.991 288 1HG2 VAL 37 HG21 VAL 37 -7.911 24.443 8.452 289 2HG2 VAL 37 HG22 VAL 37 -7.336 22.813 8.799 290 3HG2 VAL 37 HG23 VAL 37 -7.739 23.906 10.123 291 H LYS 38 HN LYS 38 -11.906 23.172 7.357 292 HA LYS 38 HA LYS 38 -14.486 23.532 8.618 293 1HB LYS 38 HB2 LYS 38 -13.980 23.268 6.161 294 2HB LYS 38 HB1 LYS 38 -13.621 21.569 6.471 295 1HG LYS 38 HG2 LYS 38 -15.872 21.148 7.213 296 2HG LYS 38 HG1 LYS 38 -16.258 22.870 7.194 297 1HD LYS 38 HD2 LYS 38 -15.573 22.726 4.670 298 2HD LYS 38 HD1 LYS 38 -15.862 20.997 4.877 299 1HE LYS 38 HE2 LYS 38 -18.150 21.334 5.444 300 2HE LYS 38 HE1 LYS 38 -17.904 23.071 5.717 301 1HZ LYS 38 HZ1 LYS 38 -17.773 21.598 3.147 302 2HZ LYS 38 HZ2 LYS 38 -17.138 23.163 3.332 303 3HZ LYS 38 HZ3 LYS 38 -18.799 22.884 3.556 304 H ARG 39 HN ARG 39 -12.199 20.840 8.380 305 HA ARG 39 HA ARG 39 -13.226 19.652 10.829 306 1HB ARG 39 HB2 ARG 39 -14.714 19.001 8.798 307 2HB ARG 39 HB1 ARG 39 -13.350 17.990 8.318 308 1HG ARG 39 HG2 ARG 39 -13.434 16.783 10.427 309 2HG ARG 39 HG1 ARG 39 -14.689 17.863 11.035 310 1HD ARG 39 HD2 ARG 39 -14.980 16.029 8.624 311 2HD ARG 39 HD1 ARG 39 -15.697 15.755 10.224 312 HE ARG 39 HE ARG 39 -16.477 17.917 8.338 313 1HH1 ARG 39 HH21 ARG 39 -18.442 15.941 9.432 314 2HH1 ARG 39 HH22 ARG 39 -19.203 16.846 10.698 315 1HH2 ARG 39 HH11 ARG 39 -16.725 19.269 10.817 316 2HH2 ARG 39 HH12 ARG 39 -18.231 18.731 11.481 317 H GLY 40 HN GLY 40 -11.173 19.263 7.946 318 1HA GLY 40 HA2 GLY 40 -8.700 19.150 9.092 319 2HA GLY 40 HA1 GLY 40 -9.296 17.510 9.356 320 H ILE 41 HN ILE 41 -10.043 16.336 7.398 321 HA ILE 41 HA ILE 41 -8.547 17.186 4.937 322 HB ILE 41 HB ILE 41 -8.888 14.452 6.216 323 1HG1 ILE 41 HG12 ILE 41 -6.377 16.092 5.775 324 2HG1 ILE 41 HG11 ILE 41 -7.281 16.093 7.290 325 1HG2 ILE 41 HG21 ILE 41 -8.684 13.825 4.012 326 2HG2 ILE 41 HG22 ILE 41 -6.975 14.075 4.368 327 3HG2 ILE 41 HG23 ILE 41 -7.898 15.333 3.545 328 1HD1 ILE 41 HD11 ILE 41 -6.722 13.893 7.785 329 2HD1 ILE 41 HD12 ILE 41 -5.263 14.418 6.943 330 3HD1 ILE 41 HD13 ILE 41 -6.479 13.465 6.091 331 H VAL 42 HN VAL 42 -11.608 16.915 6.042 332 HA VAL 42 HA VAL 42 -12.961 15.144 4.275 333 HB VAL 42 HB VAL 42 -13.900 16.206 6.304 334 1HG1 VAL 42 HG11 VAL 42 -12.840 18.452 5.908 335 2HG1 VAL 42 HG12 VAL 42 -14.553 18.542 6.315 336 3HG1 VAL 42 HG13 VAL 42 -14.034 18.739 4.642 337 1HG2 VAL 42 HG21 VAL 42 -15.980 15.944 5.456 338 2HG2 VAL 42 HG22 VAL 42 -15.211 15.728 3.886 339 3HG2 VAL 42 HG23 VAL 42 -15.793 17.319 4.369 340 H GLU 43 HN GLU 43 -12.085 18.572 3.855 341 HA GLU 43 HA GLU 43 -13.440 19.049 1.408 342 1HB GLU 43 HB2 GLU 43 -10.906 20.154 2.642 343 2HB GLU 43 HB1 GLU 43 -11.643 20.843 1.195 344 1HG GLU 43 HG2 GLU 43 -13.738 21.227 2.425 345 2HG GLU 43 HG1 GLU 43 -13.029 20.511 3.872 346 H GLN 44 HN GLN 44 -10.188 17.735 2.019 347 HA GLN 44 HA GLN 44 -9.326 17.663 -0.728 348 1HB GLN 44 HB2 GLN 44 -8.546 16.098 1.750 349 2HB GLN 44 HB1 GLN 44 -7.642 16.052 0.237 350 1HG GLN 44 HG2 GLN 44 -7.239 18.462 0.365 351 2HG GLN 44 HG1 GLN 44 -8.211 18.567 1.833 352 1HE2 GLN 44 HE21 GLN 44 -5.619 19.440 2.118 353 2HE2 GLN 44 HE22 GLN 44 -4.679 18.301 2.956 354 H CYS 45 HN CYS 45 -10.910 15.206 1.338 355 HA CYS 45 HA CYS 45 -10.789 13.168 -0.762 356 1HB CYS 45 HB2 CYS 45 -12.009 13.385 1.991 357 2HB CYS 45 HB1 CYS 45 -12.200 11.942 0.998 358 H CYS 46 HN CYS 46 -13.162 15.553 0.269 359 HA CYS 46 HA CYS 46 -15.485 14.249 -0.832 360 1HB CYS 46 HB2 CYS 46 -14.715 17.073 -0.106 361 2HB CYS 46 HB1 CYS 46 -16.289 16.724 -0.824 362 H THR 47 HN THR 47 -13.082 16.481 -2.222 363 HA THR 47 HA THR 47 -14.443 16.824 -4.761 364 HB THR 47 HB THR 47 -11.525 17.123 -3.967 365 HG1 THR 47 HG1 THR 47 -12.078 19.139 -3.377 366 1HG2 THR 47 HG21 THR 47 -13.111 18.315 -6.260 367 2HG2 THR 47 HG22 THR 47 -11.864 17.076 -6.406 368 3HG2 THR 47 HG23 THR 47 -11.435 18.700 -5.867 369 H SER 48 HN SER 48 -11.844 14.648 -3.625 370 HA SER 48 HA SER 48 -12.283 12.971 -6.078 371 1HB SER 48 HB2 SER 48 -9.683 13.683 -4.681 372 2HB SER 48 HB1 SER 48 -9.826 12.594 -6.058 373 HG SER 48 HG SER 48 -9.315 14.656 -6.786 374 H ILE 49 HN ILE 49 -12.175 10.708 -5.703 375 HA ILE 49 HA ILE 49 -12.880 9.746 -3.097 376 HB ILE 49 HB ILE 49 -11.739 8.316 -5.527 377 1HG1 ILE 49 HG12 ILE 49 -14.631 8.652 -4.678 378 2HG1 ILE 49 HG11 ILE 49 -13.846 9.697 -5.860 379 1HG2 ILE 49 HG21 ILE 49 -11.597 6.805 -3.685 380 2HG2 ILE 49 HG22 ILE 49 -13.090 6.380 -4.520 381 3HG2 ILE 49 HG23 ILE 49 -13.150 7.332 -3.037 382 1HD1 ILE 49 HD11 ILE 49 -14.254 6.701 -6.071 383 2HD1 ILE 49 HD12 ILE 49 -13.267 7.639 -7.192 384 3HD1 ILE 49 HD13 ILE 49 -14.999 7.947 -7.071 385 H CYS 50 HN CYS 50 -11.585 9.245 -1.379 386 HA CYS 50 HA CYS 50 -8.640 9.394 -1.699 387 1HB CYS 50 HB2 CYS 50 -10.666 9.543 0.507 388 2HB CYS 50 HB1 CYS 50 -9.015 9.082 0.928 389 H SER 51 HN SER 51 -7.435 7.547 -1.834 390 HA SER 51 HA SER 51 -8.705 4.927 -1.729 391 1HB SER 51 HB2 SER 51 -6.419 4.191 -2.332 392 2HB SER 51 HB1 SER 51 -6.934 5.552 -3.323 393 HG SER 51 HG SER 51 -4.825 5.360 -1.704 394 H LEU 52 HN LEU 52 -7.946 3.179 -0.343 395 HA LEU 52 HA LEU 52 -7.997 3.745 2.428 396 1HB LEU 52 HB2 LEU 52 -8.601 1.602 1.367 397 2HB LEU 52 HB1 LEU 52 -6.918 1.349 0.907 398 HG LEU 52 HG LEU 52 -6.327 1.468 3.367 399 1HD1 LEU 52 HD11 LEU 52 -9.253 1.900 3.476 400 2HD1 LEU 52 HD12 LEU 52 -8.000 2.383 4.618 401 3HD1 LEU 52 HD13 LEU 52 -8.630 0.736 4.645 402 1HD2 LEU 52 HD21 LEU 52 -8.106 -0.674 2.205 403 2HD2 LEU 52 HD22 LEU 52 -7.449 -0.833 3.834 404 3HD2 LEU 52 HD23 LEU 52 -6.360 -0.707 2.452 405 H TYR 53 HN TYR 53 -5.219 3.135 0.275 406 HA TYR 53 HA TYR 53 -3.182 2.980 2.244 407 1HB TYR 53 HB2 TYR 53 -2.973 2.397 -0.146 408 2HB TYR 53 HB1 TYR 53 -3.093 4.104 -0.550 409 HD1 TYR 53 HD1 TYR 53 -1.279 5.677 0.014 410 HD2 TYR 53 HD2 TYR 53 -0.966 1.478 0.860 411 HE1 TYR 53 HE1 TYR 53 1.161 5.933 0.382 412 HE2 TYR 53 HE2 TYR 53 1.473 1.733 1.228 413 HH TYR 53 HH TYR 53 3.030 3.685 1.923 414 H GLN 54 HN GLN 54 -4.555 5.836 0.603 415 HA GLN 54 HA GLN 54 -2.712 7.752 1.732 416 1HB GLN 54 HB2 GLN 54 -5.542 7.970 0.654 417 2HB GLN 54 HB1 GLN 54 -4.492 9.352 0.971 418 1HG GLN 54 HG2 GLN 54 -3.799 7.072 -0.904 419 2HG GLN 54 HG1 GLN 54 -4.450 8.627 -1.422 420 1HE2 GLN 54 HE21 GLN 54 -3.047 10.453 0.125 421 2HE2 GLN 54 HE22 GLN 54 -1.382 10.329 -0.180 422 H LEU 55 HN LEU 55 -5.940 6.596 2.739 423 HA LEU 55 HA LEU 55 -6.316 8.391 4.940 424 1HB LEU 55 HB2 LEU 55 -7.256 5.559 4.383 425 2HB LEU 55 HB1 LEU 55 -7.904 6.570 5.675 426 HG LEU 55 HG LEU 55 -7.885 7.367 2.752 427 1HD1 LEU 55 HD11 LEU 55 -10.319 6.537 4.323 428 2HD1 LEU 55 HD12 LEU 55 -9.341 5.337 3.479 429 3HD1 LEU 55 HD13 LEU 55 -10.115 6.639 2.574 430 1HD2 LEU 55 HD21 LEU 55 -8.311 9.399 3.657 431 2HD2 LEU 55 HD22 LEU 55 -8.524 8.722 5.271 432 3HD2 LEU 55 HD23 LEU 55 -9.877 8.750 4.141 433 H GLU 56 HN GLU 56 -4.785 5.208 4.690 434 HA GLU 56 HA GLU 56 -4.229 4.747 7.448 435 1HB GLU 56 HB2 GLU 56 -2.849 3.955 4.867 436 2HB GLU 56 HB1 GLU 56 -2.394 3.293 6.438 437 1HG GLU 56 HG2 GLU 56 -4.669 2.438 6.765 438 2HG GLU 56 HG1 GLU 56 -5.175 3.145 5.236 439 H ASN 57 HN ASN 57 -2.399 6.485 4.942 440 HA ASN 57 HA ASN 57 -0.023 6.972 6.443 441 1HB ASN 57 HB2 ASN 57 -1.427 8.535 4.254 442 2HB ASN 57 HB1 ASN 57 0.234 8.835 4.769 443 1HD2 ASN 57 HD21 ASN 57 1.226 6.233 5.112 444 2HD2 ASN 57 HD22 ASN 57 1.174 5.398 3.637 445 H TYR 58 HN TYR 58 -3.023 8.946 6.171 446 HA TYR 58 HA TYR 58 -2.072 11.082 7.876 447 1HB TYR 58 HB2 TYR 58 -4.819 10.078 7.090 448 2HB TYR 58 HB1 TYR 58 -4.572 11.525 8.064 449 HD1 TYR 58 HD1 TYR 58 -2.531 13.064 7.017 450 HD2 TYR 58 HD2 TYR 58 -5.182 10.485 4.832 451 HE1 TYR 58 HE1 TYR 58 -2.134 14.396 4.963 452 HE2 TYR 58 HE2 TYR 58 -4.783 11.816 2.778 453 HH TYR 58 HH TYR 58 -2.808 13.358 1.941 454 H CYS 59 HN CYS 59 -3.664 7.993 8.493 455 HA CYS 59 HA CYS 59 -4.052 8.603 11.359 456 1HB CYS 59 HB2 CYS 59 -5.591 7.293 9.736 457 2HB CYS 59 HB1 CYS 59 -4.447 5.966 9.939 458 H ASN 60 HN ASN 60 -1.404 8.824 11.000 459 HA ASN 60 HA ASN 60 0.107 6.356 11.161 460 1HB ASN 60 HB2 ASN 60 0.643 9.257 11.847 461 2HB ASN 60 HB1 ASN 60 1.882 8.008 11.981 462 1HD2 ASN 60 HD21 ASN 60 1.776 10.315 10.050 463 2HD2 ASN 60 HD22 ASN 60 1.825 9.612 8.506 Start of MODEL 17 1 1H PHE 1 HT1 PHE 1 -15.753 -4.706 -9.060 2 2H PHE 1 HT2 PHE 1 -17.368 -4.364 -8.661 3 3H PHE 1 HT3 PHE 1 -16.590 -5.712 -7.982 4 HA PHE 1 HA PHE 1 -16.743 -3.887 -6.374 5 1HB PHE 1 HB2 PHE 1 -14.939 -5.577 -6.368 6 2HB PHE 1 HB1 PHE 1 -13.992 -4.574 -7.465 7 HD1 PHE 1 HD1 PHE 1 -15.255 -4.940 -4.025 8 HD2 PHE 1 HD2 PHE 1 -12.950 -2.499 -6.705 9 HE1 PHE 1 HE1 PHE 1 -14.336 -3.686 -2.093 10 HE2 PHE 1 HE2 PHE 1 -12.031 -1.245 -4.773 11 HZ PHE 1 HZ PHE 1 -12.724 -1.838 -2.467 12 H VAL 2 HN VAL 2 -16.676 -1.671 -6.091 13 HA VAL 2 HA VAL 2 -15.314 -0.022 -8.147 14 HB VAL 2 HB VAL 2 -17.287 1.485 -7.957 15 1HG1 VAL 2 HG11 VAL 2 -17.212 -0.210 -9.731 16 2HG1 VAL 2 HG12 VAL 2 -18.866 0.004 -9.157 17 3HG1 VAL 2 HG13 VAL 2 -17.927 -1.396 -8.638 18 1HG2 VAL 2 HG21 VAL 2 -19.116 1.026 -6.596 19 2HG2 VAL 2 HG22 VAL 2 -17.806 0.415 -5.587 20 3HG2 VAL 2 HG23 VAL 2 -18.773 -0.703 -6.548 21 H ASN 3 HN ASN 3 -14.996 2.278 -7.324 22 HA ASN 3 HA ASN 3 -14.867 2.599 -4.387 23 1HB ASN 3 HB2 ASN 3 -12.811 1.368 -5.066 24 2HB ASN 3 HB1 ASN 3 -12.426 2.664 -6.198 25 1HD2 ASN 3 HD21 ASN 3 -10.394 2.624 -4.644 26 2HD2 ASN 3 HD22 ASN 3 -10.473 3.657 -3.300 27 H GLN 4 HN GLN 4 -16.249 4.377 -4.699 28 HA GLN 4 HA GLN 4 -15.636 6.508 -6.619 29 1HB GLN 4 HB2 GLN 4 -17.668 6.163 -4.392 30 2HB GLN 4 HB1 GLN 4 -17.682 7.492 -5.552 31 1HG GLN 4 HG2 GLN 4 -17.941 5.930 -7.407 32 2HG GLN 4 HG1 GLN 4 -17.799 4.556 -6.309 33 1HE2 GLN 4 HE21 GLN 4 -20.140 5.020 -7.958 34 2HE2 GLN 4 HE22 GLN 4 -21.446 5.335 -6.920 35 H HIS 5 HN HIS 5 -16.046 8.837 -5.417 36 HA HIS 5 HA HIS 5 -13.617 9.393 -3.941 37 1HB HIS 5 HB2 HIS 5 -16.113 10.883 -4.738 38 2HB HIS 5 HB1 HIS 5 -14.917 11.651 -3.697 39 HD1 HIS 5 HD1 HIS 5 -13.117 12.853 -4.904 40 HD2 HIS 5 HD2 HIS 5 -14.754 9.821 -7.250 41 HE1 HIS 5 HE1 HIS 5 -11.987 13.009 -7.164 42 H LEU 6 HN LEU 6 -13.416 10.024 -1.730 43 HA LEU 6 HA LEU 6 -15.572 9.046 0.055 44 1HB LEU 6 HB2 LEU 6 -12.601 9.486 0.265 45 2HB LEU 6 HB1 LEU 6 -13.579 9.284 1.719 46 HG LEU 6 HG LEU 6 -13.699 7.332 -0.583 47 1HD1 LEU 6 HD11 LEU 6 -11.804 7.482 1.754 48 2HD1 LEU 6 HD12 LEU 6 -11.446 7.126 0.064 49 3HD1 LEU 6 HD13 LEU 6 -12.256 5.922 1.066 50 1HD2 LEU 6 HD21 LEU 6 -14.685 7.455 2.253 51 2HD2 LEU 6 HD22 LEU 6 -14.362 5.887 1.514 52 3HD2 LEU 6 HD23 LEU 6 -15.552 6.972 0.795 53 H CYS 7 HN CYS 7 -16.945 10.875 0.112 54 HA CYS 7 HA CYS 7 -15.936 13.180 1.689 55 1HB CYS 7 HB2 CYS 7 -15.841 13.331 -0.996 56 2HB CYS 7 HB1 CYS 7 -17.529 13.783 -0.768 57 H GLY 8 HN GLY 8 -18.099 14.774 1.736 58 1HA GLY 8 HA2 GLY 8 -20.227 15.008 2.667 59 2HA GLY 8 HA1 GLY 8 -20.689 13.698 1.580 60 H SER 9 HN SER 9 -22.028 12.607 3.094 61 HA SER 9 HA SER 9 -21.232 12.043 5.823 62 1HB SER 9 HB2 SER 9 -23.564 12.184 4.985 63 2HB SER 9 HB1 SER 9 -23.291 10.743 4.010 64 HG SER 9 HG SER 9 -23.011 10.904 6.835 65 H HIS 10 HN HIS 10 -20.775 10.396 2.763 66 HA HIS 10 HA HIS 10 -20.221 7.755 3.692 67 1HB HIS 10 HB2 HIS 10 -19.385 9.400 1.300 68 2HB HIS 10 HB1 HIS 10 -18.912 7.709 1.475 69 HD1 HIS 10 HD1 HIS 10 -22.022 9.875 1.259 70 HD2 HIS 10 HD2 HIS 10 -20.931 5.869 0.882 71 HE1 HIS 10 HE1 HIS 10 -24.067 8.653 0.400 72 H LEU 11 HN LEU 11 -18.066 10.575 3.286 73 HA LEU 11 HA LEU 11 -15.578 9.259 3.737 74 1HB LEU 11 HB2 LEU 11 -15.822 11.549 2.900 75 2HB LEU 11 HB1 LEU 11 -16.538 12.060 4.426 76 HG LEU 11 HG LEU 11 -14.427 11.502 5.595 77 1HD1 LEU 11 HD11 LEU 11 -13.671 9.724 4.042 78 2HD1 LEU 11 HD12 LEU 11 -12.422 10.943 4.288 79 3HD1 LEU 11 HD13 LEU 11 -13.374 10.945 2.805 80 1HD2 LEU 11 HD21 LEU 11 -12.997 13.208 4.052 81 2HD2 LEU 11 HD22 LEU 11 -14.304 13.740 5.109 82 3HD2 LEU 11 HD23 LEU 11 -14.607 13.488 3.390 83 H VAL 12 HN VAL 12 -17.699 10.926 6.119 84 HA VAL 12 HA VAL 12 -16.110 10.261 8.426 85 HB VAL 12 HB VAL 12 -19.037 10.952 7.989 86 1HG1 VAL 12 HG11 VAL 12 -17.489 10.886 10.601 87 2HG1 VAL 12 HG12 VAL 12 -18.768 9.760 10.145 88 3HG1 VAL 12 HG13 VAL 12 -19.143 11.464 10.396 89 1HG2 VAL 12 HG21 VAL 12 -16.518 12.479 8.583 90 2HG2 VAL 12 HG22 VAL 12 -18.071 13.120 9.118 91 3HG2 VAL 12 HG23 VAL 12 -17.779 12.831 7.402 92 H GLU 13 HN GLU 13 -18.971 8.749 6.963 93 HA GLU 13 HA GLU 13 -19.309 6.594 8.778 94 1HB GLU 13 HB2 GLU 13 -20.876 7.417 6.994 95 2HB GLU 13 HB1 GLU 13 -19.824 6.674 5.791 96 1HG GLU 13 HG2 GLU 13 -20.174 4.469 6.831 97 2HG GLU 13 HG1 GLU 13 -21.211 5.203 8.052 98 H ALA 14 HN ALA 14 -17.318 6.879 5.849 99 HA ALA 14 HA ALA 14 -16.428 4.186 5.671 100 1HB ALA 14 HB1 ALA 14 -16.215 6.136 4.023 101 2HB ALA 14 HB2 ALA 14 -14.805 5.087 4.163 102 3HB ALA 14 HB3 ALA 14 -14.823 6.653 4.974 103 H LEU 15 HN LEU 15 -15.071 6.971 7.459 104 HA LEU 15 HA LEU 15 -12.680 5.719 8.385 105 1HB LEU 15 HB2 LEU 15 -14.484 7.870 9.529 106 2HB LEU 15 HB1 LEU 15 -12.911 7.470 10.221 107 HG LEU 15 HG LEU 15 -13.317 8.238 7.319 108 1HD1 LEU 15 HD11 LEU 15 -12.502 9.903 9.717 109 2HD1 LEU 15 HD12 LEU 15 -13.883 10.171 8.653 110 3HD1 LEU 15 HD13 LEU 15 -12.244 10.408 8.047 111 1HD2 LEU 15 HD21 LEU 15 -10.963 7.646 9.100 112 2HD2 LEU 15 HD22 LEU 15 -10.771 8.722 7.715 113 3HD2 LEU 15 HD23 LEU 15 -11.296 7.056 7.471 114 H TYR 16 HN TYR 16 -15.894 5.956 9.957 115 HA TYR 16 HA TYR 16 -15.259 4.418 12.287 116 1HB TYR 16 HB2 TYR 16 -17.763 5.037 10.714 117 2HB TYR 16 HB1 TYR 16 -17.832 4.005 12.142 118 HD1 TYR 16 HD1 TYR 16 -16.391 5.000 14.219 119 HD2 TYR 16 HD2 TYR 16 -18.152 7.301 11.047 120 HE1 TYR 16 HE1 TYR 16 -16.381 7.011 15.671 121 HE2 TYR 16 HE2 TYR 16 -18.141 9.311 12.498 122 HH TYR 16 HH TYR 16 -18.143 9.533 15.329 123 H LEU 17 HN LEU 17 -16.449 3.475 9.077 124 HA LEU 17 HA LEU 17 -16.835 0.689 9.624 125 1HB LEU 17 HB2 LEU 17 -16.349 2.311 7.143 126 2HB LEU 17 HB1 LEU 17 -16.767 0.604 7.091 127 HG LEU 17 HG LEU 17 -18.446 2.663 8.539 128 1HD1 LEU 17 HD11 LEU 17 -18.618 1.642 5.691 129 2HD1 LEU 17 HD12 LEU 17 -18.459 3.317 6.220 130 3HD1 LEU 17 HD13 LEU 17 -19.959 2.437 6.515 131 1HD2 LEU 17 HD21 LEU 17 -20.165 0.890 8.349 132 2HD2 LEU 17 HD22 LEU 17 -18.745 0.307 9.215 133 3HD2 LEU 17 HD23 LEU 17 -18.998 -0.148 7.530 134 H VAL 18 HN VAL 18 -14.091 2.510 8.267 135 HA VAL 18 HA VAL 18 -12.476 0.160 7.731 136 HB VAL 18 HB VAL 18 -11.862 3.099 7.952 137 1HG1 VAL 18 HG11 VAL 18 -10.207 0.754 7.048 138 2HG1 VAL 18 HG12 VAL 18 -9.745 2.084 8.110 139 3HG1 VAL 18 HG13 VAL 18 -9.924 2.361 6.377 140 1HG2 VAL 18 HG21 VAL 18 -12.712 3.310 5.868 141 2HG2 VAL 18 HG22 VAL 18 -13.402 1.702 6.081 142 3HG2 VAL 18 HG23 VAL 18 -11.835 1.891 5.296 143 H CYS 19 HN CYS 19 -12.057 2.797 10.103 144 HA CYS 19 HA CYS 19 -10.021 1.411 11.607 145 1HB CYS 19 HB2 CYS 19 -11.813 3.763 12.141 146 2HB CYS 19 HB1 CYS 19 -10.522 3.278 13.237 147 H GLY 20 HN GLY 20 -13.517 1.836 12.067 148 1HA GLY 20 HA2 GLY 20 -15.037 0.668 13.399 149 2HA GLY 20 HA1 GLY 20 -13.845 -0.625 13.458 150 H GLU 21 HN GLU 21 -12.768 2.471 14.583 151 HA GLU 21 HA GLU 21 -13.379 1.774 17.393 152 1HB GLU 21 HB2 GLU 21 -10.653 2.217 16.161 153 2HB GLU 21 HB1 GLU 21 -10.933 2.271 17.902 154 1HG GLU 21 HG2 GLU 21 -11.850 -0.033 17.811 155 2HG GLU 21 HG1 GLU 21 -11.519 -0.085 16.082 156 H ARG 22 HN ARG 22 -13.126 3.619 18.847 157 HA ARG 22 HA ARG 22 -13.387 6.228 17.445 158 1HB ARG 22 HB2 ARG 22 -14.397 5.116 20.069 159 2HB ARG 22 HB1 ARG 22 -14.591 6.807 19.606 160 1HG ARG 22 HG2 ARG 22 -15.809 6.120 17.576 161 2HG ARG 22 HG1 ARG 22 -15.613 4.426 18.029 162 1HD ARG 22 HD2 ARG 22 -17.030 6.493 19.751 163 2HD ARG 22 HD1 ARG 22 -17.853 5.324 18.699 164 HE ARG 22 HE ARG 22 -15.965 3.927 20.343 165 1HH1 ARG 22 HH11 ARG 22 -17.583 6.008 22.066 166 2HH1 ARG 22 HH12 ARG 22 -18.787 4.950 22.721 167 1HH2 ARG 22 HH21 ARG 22 -18.112 2.376 20.497 168 2HH2 ARG 22 HH22 ARG 22 -19.087 2.892 21.832 169 H GLY 23 HN GLY 23 -10.890 4.686 18.653 170 1HA GLY 23 HA2 GLY 23 -9.974 6.270 20.865 171 2HA GLY 23 HA1 GLY 23 -8.956 5.258 19.843 172 H PHE 24 HN PHE 24 -9.249 6.431 17.368 173 HA PHE 24 HA PHE 24 -7.606 8.825 17.673 174 1HB PHE 24 HB2 PHE 24 -7.357 8.604 15.276 175 2HB PHE 24 HB1 PHE 24 -7.347 6.980 15.955 176 HD1 PHE 24 HD1 PHE 24 -9.277 5.463 15.629 177 HD2 PHE 24 HD2 PHE 24 -9.224 9.417 13.951 178 HE1 PHE 24 HE1 PHE 24 -11.194 4.874 14.172 179 HE2 PHE 24 HE2 PHE 24 -11.138 8.824 12.492 180 HZ PHE 24 HZ PHE 24 -12.123 6.552 12.602 181 H PHE 25 HN PHE 25 -8.333 10.921 17.651 182 HA PHE 25 HA PHE 25 -11.179 11.483 17.340 183 1HB PHE 25 HB2 PHE 25 -9.447 12.490 18.989 184 2HB PHE 25 HB1 PHE 25 -8.962 13.502 17.626 185 HD1 PHE 25 HD1 PHE 25 -10.659 14.982 16.507 186 HD2 PHE 25 HD2 PHE 25 -11.496 12.884 20.160 187 HE1 PHE 25 HE1 PHE 25 -12.608 16.461 16.909 188 HE2 PHE 25 HE2 PHE 25 -13.445 14.365 20.564 189 HZ PHE 25 HZ PHE 25 -14.001 16.153 18.938 190 H TYR 26 HN TYR 26 -8.535 11.273 15.203 191 HA TYR 26 HA TYR 26 -8.249 11.854 12.950 192 1HB TYR 26 HB2 TYR 26 -10.588 10.870 12.975 193 2HB TYR 26 HB1 TYR 26 -11.206 12.516 13.094 194 HD1 TYR 26 HD1 TYR 26 -9.089 10.275 10.999 195 HD2 TYR 26 HD2 TYR 26 -11.412 13.884 11.167 196 HE1 TYR 26 HE1 TYR 26 -8.884 10.522 8.540 197 HE2 TYR 26 HE2 TYR 26 -11.205 14.132 8.709 198 HH TYR 26 HH TYR 26 -9.227 13.126 6.922 199 H THR 27 HN THR 27 -7.740 13.897 14.941 200 HA THR 27 HA THR 27 -8.814 16.415 13.896 201 HB THR 27 HB THR 27 -6.633 15.837 15.923 202 HG1 THR 27 HG1 THR 27 -8.175 15.345 17.236 203 1HG2 THR 27 HG21 THR 27 -8.250 18.279 15.203 204 2HG2 THR 27 HG22 THR 27 -6.499 18.125 15.347 205 3HG2 THR 27 HG23 THR 27 -7.507 18.106 16.793 206 HA PRO 28 HA PRO 28 -5.403 16.420 10.924 207 1HB PRO 28 HB2 PRO 28 -5.961 18.847 9.778 208 2HB PRO 28 HB1 PRO 28 -6.843 17.362 9.363 209 1HG PRO 28 HG2 PRO 28 -7.616 19.557 11.233 210 2HG PRO 28 HG1 PRO 28 -8.603 18.701 10.034 211 1HD PRO 28 HD2 PRO 28 -8.717 18.110 12.660 212 2HD PRO 28 HD1 PRO 28 -8.913 16.866 11.403 213 H LYS 29 HN LYS 29 -3.458 17.842 10.652 214 HA LYS 29 HA LYS 29 -2.469 18.876 13.117 215 1HB LYS 29 HB2 LYS 29 -1.652 19.213 10.220 216 2HB LYS 29 HB1 LYS 29 -0.672 19.799 11.565 217 1HG LYS 29 HG2 LYS 29 -0.572 17.516 12.494 218 2HG LYS 29 HG1 LYS 29 -1.547 16.926 11.148 219 1HD LYS 29 HD2 LYS 29 0.192 17.661 9.560 220 2HD LYS 29 HD1 LYS 29 1.171 18.248 10.905 221 1HE LYS 29 HE2 LYS 29 2.096 16.129 10.659 222 2HE LYS 29 HE1 LYS 29 0.772 15.730 11.771 223 1HZ LYS 29 HZ1 LYS 29 0.691 15.600 8.803 224 2HZ LYS 29 HZ2 LYS 29 -0.654 15.361 9.814 225 3HZ LYS 29 HZ3 LYS 29 0.657 14.282 9.870 226 H THR 30 HN THR 30 -3.719 20.521 10.226 227 HA THR 30 HA THR 30 -4.656 22.633 9.886 228 HB THR 30 HB THR 30 -4.862 22.588 12.909 229 HG1 THR 30 HG1 THR 30 -6.089 20.952 12.444 230 1HG2 THR 30 HG21 THR 30 -5.684 24.493 10.874 231 2HG2 THR 30 HG22 THR 30 -5.750 24.636 12.630 232 3HG2 THR 30 HG23 THR 30 -7.073 23.862 11.759 233 H ARG 31 HN ARG 31 -2.601 22.894 12.833 234 HA ARG 31 HA ARG 31 -0.956 24.477 13.408 235 1HB ARG 31 HB2 ARG 31 -0.741 24.382 10.387 236 2HB ARG 31 HB1 ARG 31 0.399 25.262 11.403 237 1HG ARG 31 HG2 ARG 31 0.924 23.178 12.620 238 2HG ARG 31 HG1 ARG 31 -0.209 22.297 11.594 239 1HD ARG 31 HD2 ARG 31 1.128 22.886 9.596 240 2HD ARG 31 HD1 ARG 31 2.274 23.764 10.629 241 HE ARG 31 HE ARG 31 1.718 20.842 10.993 242 1HH1 ARG 31 HH11 ARG 31 4.026 22.485 9.438 243 2HH1 ARG 31 HH12 ARG 31 5.344 22.102 10.494 244 1HH2 ARG 31 HH21 ARG 31 3.316 20.820 12.997 245 2HH2 ARG 31 HH22 ARG 31 4.943 21.160 12.508 246 H ARG 32 HN ARG 32 -3.730 25.345 12.990 247 HA ARG 32 HA ARG 32 -3.215 28.233 12.566 248 1HB ARG 32 HB2 ARG 32 -4.148 27.032 10.520 249 2HB ARG 32 HB1 ARG 32 -5.602 26.724 11.472 250 1HG ARG 32 HG2 ARG 32 -6.119 28.720 10.335 251 2HG ARG 32 HG1 ARG 32 -5.581 29.284 11.918 252 1HD ARG 32 HD2 ARG 32 -3.236 29.485 10.914 253 2HD ARG 32 HD1 ARG 32 -4.003 29.257 9.331 254 HE ARG 32 HE ARG 32 -5.457 31.248 10.781 255 1HH1 ARG 32 HH21 ARG 32 -3.379 30.803 8.217 256 2HH1 ARG 32 HH22 ARG 32 -2.722 32.406 8.228 257 1HH2 ARG 32 HH11 ARG 32 -4.213 33.281 11.235 258 2HH2 ARG 32 HH12 ARG 32 -3.195 33.809 9.937 259 H TYR 33 HN TYR 33 -4.146 29.427 14.207 260 HA TYR 33 HA TYR 33 -5.583 28.058 16.345 261 1HB TYR 33 HB2 TYR 33 -4.308 30.655 15.787 262 2HB TYR 33 HB1 TYR 33 -5.697 30.755 16.867 263 HD1 TYR 33 HD1 TYR 33 -2.230 30.247 16.768 264 HD2 TYR 33 HD2 TYR 33 -5.779 28.768 18.684 265 HE1 TYR 33 HE1 TYR 33 -0.856 29.363 18.635 266 HE2 TYR 33 HE2 TYR 33 -4.405 27.885 20.550 267 HH TYR 33 HH TYR 33 -0.975 27.702 20.380 268 HA PRO 34 HA PRO 34 -9.234 30.859 15.053 269 1HB PRO 34 HB2 PRO 34 -9.135 32.131 12.631 270 2HB PRO 34 HB1 PRO 34 -8.563 32.868 14.142 271 1HG PRO 34 HG2 PRO 34 -7.010 31.556 11.972 272 2HG PRO 34 HG1 PRO 34 -6.631 33.011 12.904 273 1HD PRO 34 HD2 PRO 34 -5.500 30.603 13.396 274 2HD PRO 34 HD1 PRO 34 -5.771 31.814 14.665 275 H GLY 35 HN GLY 35 -10.780 30.885 12.816 276 1HA GLY 35 HA2 GLY 35 -11.095 28.059 12.219 277 2HA GLY 35 HA1 GLY 35 -12.097 29.365 11.590 278 H ASP 36 HN ASP 36 -11.055 30.715 9.822 279 HA ASP 36 HA ASP 36 -10.142 30.775 7.646 280 1HB ASP 36 HB2 ASP 36 -8.060 29.293 9.267 281 2HB ASP 36 HB1 ASP 36 -7.778 29.815 7.605 282 H VAL 37 HN VAL 37 -12.112 28.980 7.608 283 HA VAL 37 HA VAL 37 -12.936 27.075 6.493 284 HB VAL 37 HB VAL 37 -10.201 27.238 5.172 285 1HG1 VAL 37 HG11 VAL 37 -12.816 25.936 4.408 286 2HG1 VAL 37 HG12 VAL 37 -11.222 25.190 4.530 287 3HG1 VAL 37 HG13 VAL 37 -11.572 26.312 3.215 288 1HG2 VAL 37 HG21 VAL 37 -11.846 28.441 3.423 289 2HG2 VAL 37 HG22 VAL 37 -11.014 29.341 4.691 290 3HG2 VAL 37 HG23 VAL 37 -12.695 28.855 4.913 291 H LYS 38 HN LYS 38 -12.450 24.666 6.145 292 HA LYS 38 HA LYS 38 -10.324 23.589 7.930 293 1HB LYS 38 HB2 LYS 38 -13.317 23.149 8.173 294 2HB LYS 38 HB1 LYS 38 -12.127 22.122 8.970 295 1HG LYS 38 HG2 LYS 38 -11.208 24.088 10.144 296 2HG LYS 38 HG1 LYS 38 -12.401 25.117 9.351 297 1HD LYS 38 HD2 LYS 38 -14.222 23.826 10.401 298 2HD LYS 38 HD1 LYS 38 -13.031 22.798 11.199 299 1HE LYS 38 HE2 LYS 38 -12.072 24.928 12.243 300 2HE LYS 38 HE1 LYS 38 -13.534 25.750 11.664 301 1HZ LYS 38 HZ1 LYS 38 -14.908 24.325 12.891 302 2HZ LYS 38 HZ2 LYS 38 -13.654 24.720 13.966 303 3HZ LYS 38 HZ3 LYS 38 -13.663 23.211 13.186 304 H ARG 39 HN ARG 39 -10.796 20.962 7.812 305 HA ARG 39 HA ARG 39 -10.653 19.059 6.471 306 1HB ARG 39 HB2 ARG 39 -12.476 20.731 4.701 307 2HB ARG 39 HB1 ARG 39 -12.219 19.000 4.552 308 1HG ARG 39 HG2 ARG 39 -13.129 18.659 6.816 309 2HG ARG 39 HG1 ARG 39 -13.386 20.400 6.974 310 1HD ARG 39 HD2 ARG 39 -14.832 20.293 4.898 311 2HD ARG 39 HD1 ARG 39 -14.718 18.526 4.993 312 HE ARG 39 HE ARG 39 -15.462 19.315 7.560 313 1HH1 ARG 39 HH21 ARG 39 -17.051 17.865 5.251 314 2HH1 ARG 39 HH22 ARG 39 -18.527 18.770 5.316 315 1HH2 ARG 39 HH11 ARG 39 -17.190 21.313 7.259 316 2HH2 ARG 39 HH12 ARG 39 -18.605 20.723 6.453 317 H GLY 40 HN GLY 40 -8.614 21.132 6.226 318 1HA GLY 40 HA2 GLY 40 -7.992 21.742 3.500 319 2HA GLY 40 HA1 GLY 40 -6.804 21.652 4.806 320 H ILE 41 HN ILE 41 -6.862 19.104 5.608 321 HA ILE 41 HA ILE 41 -5.553 17.633 3.461 322 HB ILE 41 HB ILE 41 -6.477 16.874 6.258 323 1HG1 ILE 41 HG12 ILE 41 -3.715 17.664 5.288 324 2HG1 ILE 41 HG11 ILE 41 -4.841 18.798 6.034 325 1HG2 ILE 41 HG21 ILE 41 -5.067 14.965 6.111 326 2HG2 ILE 41 HG22 ILE 41 -4.302 15.546 4.632 327 3HG2 ILE 41 HG23 ILE 41 -5.971 14.977 4.597 328 1HD1 ILE 41 HD11 ILE 41 -4.505 16.306 7.564 329 2HD1 ILE 41 HD12 ILE 41 -4.462 17.980 8.116 330 3HD1 ILE 41 HD13 ILE 41 -3.022 17.248 7.410 331 H VAL 42 HN VAL 42 -8.660 17.442 5.158 332 HA VAL 42 HA VAL 42 -9.651 15.041 3.965 333 HB VAL 42 HB VAL 42 -11.045 17.480 5.049 334 1HG1 VAL 42 HG11 VAL 42 -13.043 16.422 4.863 335 2HG1 VAL 42 HG12 VAL 42 -12.361 14.867 5.338 336 3HG1 VAL 42 HG13 VAL 42 -12.232 15.412 3.667 337 1HG2 VAL 42 HG21 VAL 42 -9.758 15.087 6.270 338 2HG2 VAL 42 HG22 VAL 42 -11.243 15.679 7.014 339 3HG2 VAL 42 HG23 VAL 42 -9.844 16.743 6.871 340 H GLU 43 HN GLU 43 -10.043 18.459 3.028 341 HA GLU 43 HA GLU 43 -11.829 18.080 0.852 342 1HB GLU 43 HB2 GLU 43 -9.722 20.113 1.547 343 2HB GLU 43 HB1 GLU 43 -10.653 20.262 0.059 344 1HG GLU 43 HG2 GLU 43 -12.731 20.346 1.271 345 2HG GLU 43 HG1 GLU 43 -11.932 19.937 2.784 346 H GLN 44 HN GLN 44 -8.279 17.817 0.930 347 HA GLN 44 HA GLN 44 -7.796 17.774 -1.874 348 1HB GLN 44 HB2 GLN 44 -6.427 16.474 0.493 349 2HB GLN 44 HB1 GLN 44 -5.737 16.475 -1.132 350 1HG GLN 44 HG2 GLN 44 -5.817 18.938 -1.174 351 2HG GLN 44 HG1 GLN 44 -6.514 18.946 0.446 352 1HE2 GLN 44 HE21 GLN 44 -3.987 20.206 -0.172 353 2HE2 GLN 44 HE22 GLN 44 -2.770 19.371 0.666 354 H CYS 45 HN CYS 45 -8.671 15.094 0.338 355 HA CYS 45 HA CYS 45 -8.499 13.080 -1.769 356 1HB CYS 45 HB2 CYS 45 -9.621 13.186 1.040 357 2HB CYS 45 HB1 CYS 45 -9.736 11.735 0.048 358 H CYS 46 HN CYS 46 -10.951 15.301 -0.620 359 HA CYS 46 HA CYS 46 -13.254 13.900 -1.683 360 1HB CYS 46 HB2 CYS 46 -12.560 16.661 -0.733 361 2HB CYS 46 HB1 CYS 46 -14.083 16.420 -1.590 362 H THR 47 HN THR 47 -11.228 16.581 -2.922 363 HA THR 47 HA THR 47 -12.574 16.690 -5.503 364 HB THR 47 HB THR 47 -9.880 17.745 -4.574 365 HG1 THR 47 HG1 THR 47 -11.407 18.638 -3.295 366 1HG2 THR 47 HG21 THR 47 -10.410 17.639 -7.090 367 2HG2 THR 47 HG22 THR 47 -9.959 19.214 -6.436 368 3HG2 THR 47 HG23 THR 47 -11.654 18.844 -6.755 369 H SER 48 HN SER 48 -9.556 15.243 -4.282 370 HA SER 48 HA SER 48 -9.217 13.831 -6.911 371 1HB SER 48 HB2 SER 48 -7.206 14.468 -4.726 372 2HB SER 48 HB1 SER 48 -6.841 13.772 -6.302 373 HG SER 48 HG SER 48 -6.499 16.000 -6.346 374 H ILE 49 HN ILE 49 -9.192 11.580 -6.855 375 HA ILE 49 HA ILE 49 -10.208 10.204 -4.532 376 HB ILE 49 HB ILE 49 -8.873 9.195 -7.071 377 1HG1 ILE 49 HG12 ILE 49 -11.823 9.495 -6.425 378 2HG1 ILE 49 HG11 ILE 49 -10.900 10.699 -7.322 379 1HG2 ILE 49 HG21 ILE 49 -10.078 7.840 -4.743 380 2HG2 ILE 49 HG22 ILE 49 -9.002 7.200 -5.983 381 3HG2 ILE 49 HG23 ILE 49 -10.733 7.313 -6.292 382 1HD1 ILE 49 HD11 ILE 49 -10.362 9.063 -9.051 383 2HD1 ILE 49 HD12 ILE 49 -12.110 9.115 -8.822 384 3HD1 ILE 49 HD13 ILE 49 -11.170 7.790 -8.137 385 H CYS 50 HN CYS 50 -9.064 9.616 -2.761 386 HA CYS 50 HA CYS 50 -6.103 9.518 -2.849 387 1HB CYS 50 HB2 CYS 50 -8.275 9.632 -0.772 388 2HB CYS 50 HB1 CYS 50 -6.666 9.086 -0.296 389 H SER 51 HN SER 51 -4.934 7.605 -2.268 390 HA SER 51 HA SER 51 -6.198 5.105 -3.078 391 1HB SER 51 HB2 SER 51 -3.966 4.279 -2.963 392 2HB SER 51 HB1 SER 51 -3.804 5.960 -3.458 393 HG SER 51 HG SER 51 -3.564 6.395 -1.132 394 H LEU 52 HN LEU 52 -6.213 3.168 -1.758 395 HA LEU 52 HA LEU 52 -7.446 3.403 0.785 396 1HB LEU 52 HB2 LEU 52 -7.582 1.469 -0.761 397 2HB LEU 52 HB1 LEU 52 -5.883 1.113 -0.454 398 HG LEU 52 HG LEU 52 -6.517 0.957 2.023 399 1HD1 LEU 52 HD11 LEU 52 -9.295 0.656 0.850 400 2HD1 LEU 52 HD12 LEU 52 -8.735 2.114 1.670 401 3HD1 LEU 52 HD13 LEU 52 -8.845 0.592 2.554 402 1HD2 LEU 52 HD21 LEU 52 -7.584 -1.352 1.648 403 2HD2 LEU 52 HD22 LEU 52 -6.027 -1.071 0.870 404 3HD2 LEU 52 HD23 LEU 52 -7.513 -0.982 -0.075 405 H TYR 53 HN TYR 53 -4.072 3.030 -0.146 406 HA TYR 53 HA TYR 53 -2.907 2.309 2.339 407 1HB TYR 53 HB2 TYR 53 -1.819 2.286 0.125 408 2HB TYR 53 HB1 TYR 53 -1.862 4.042 0.106 409 HD1 TYR 53 HD1 TYR 53 -0.475 5.363 1.687 410 HD2 TYR 53 HD2 TYR 53 -0.211 1.082 1.456 411 HE1 TYR 53 HE1 TYR 53 1.682 5.430 2.910 412 HE2 TYR 53 HE2 TYR 53 1.944 1.148 2.682 413 HH TYR 53 HH TYR 53 2.966 3.199 4.490 414 H GLN 54 HN GLN 54 -3.680 5.527 1.016 415 HA GLN 54 HA GLN 54 -2.473 7.080 3.111 416 1HB GLN 54 HB2 GLN 54 -4.754 7.554 1.170 417 2HB GLN 54 HB1 GLN 54 -4.101 8.822 2.210 418 1HG GLN 54 HG2 GLN 54 -1.919 8.626 1.205 419 2HG GLN 54 HG1 GLN 54 -2.401 7.182 0.314 420 1HE2 GLN 54 HE21 GLN 54 -1.440 9.768 -0.825 421 2HE2 GLN 54 HE22 GLN 54 -2.691 10.327 -1.827 422 H LEU 55 HN LEU 55 -5.752 5.731 2.709 423 HA LEU 55 HA LEU 55 -6.992 6.927 4.987 424 1HB LEU 55 HB2 LEU 55 -7.354 4.254 3.594 425 2HB LEU 55 HB1 LEU 55 -8.486 4.894 4.784 426 HG LEU 55 HG LEU 55 -7.690 6.343 2.245 427 1HD1 LEU 55 HD11 LEU 55 -8.969 4.237 1.821 428 2HD1 LEU 55 HD12 LEU 55 -9.871 5.685 1.375 429 3HD1 LEU 55 HD13 LEU 55 -10.248 4.840 2.876 430 1HD2 LEU 55 HD21 LEU 55 -8.423 7.943 3.831 431 2HD2 LEU 55 HD22 LEU 55 -9.652 6.859 4.482 432 3HD2 LEU 55 HD23 LEU 55 -9.870 7.585 2.889 433 H GLU 56 HN GLU 56 -5.088 3.975 4.604 434 HA GLU 56 HA GLU 56 -5.338 2.913 7.241 435 1HB GLU 56 HB2 GLU 56 -3.162 2.801 5.130 436 2HB GLU 56 HB1 GLU 56 -3.142 1.808 6.589 437 1HG GLU 56 HG2 GLU 56 -5.335 0.854 5.975 438 2HG GLU 56 HG1 GLU 56 -5.357 1.843 4.517 439 H ASN 57 HN ASN 57 -3.106 5.302 5.850 440 HA ASN 57 HA ASN 57 -1.295 5.558 8.032 441 1HB ASN 57 HB2 ASN 57 -1.129 6.495 5.686 442 2HB ASN 57 HB1 ASN 57 -2.287 7.735 6.165 443 1HD2 ASN 57 HD21 ASN 57 -1.234 9.642 6.728 444 2HD2 ASN 57 HD22 ASN 57 0.266 9.733 7.518 445 H TYR 58 HN TYR 58 -4.308 7.396 7.344 446 HA TYR 58 HA TYR 58 -4.209 9.114 9.623 447 1HB TYR 58 HB2 TYR 58 -6.535 7.918 8.089 448 2HB TYR 58 HB1 TYR 58 -6.680 9.250 9.234 449 HD1 TYR 58 HD1 TYR 58 -4.562 11.047 8.776 450 HD2 TYR 58 HD2 TYR 58 -6.624 8.636 5.884 451 HE1 TYR 58 HE1 TYR 58 -3.940 12.654 6.991 452 HE2 TYR 58 HE2 TYR 58 -6.000 10.238 4.099 453 HH TYR 58 HH TYR 58 -3.628 12.520 4.425 454 H CYS 59 HN CYS 59 -5.320 5.774 9.279 455 HA CYS 59 HA CYS 59 -6.448 5.726 12.010 456 1HB CYS 59 HB2 CYS 59 -7.221 4.559 9.769 457 2HB CYS 59 HB1 CYS 59 -6.039 3.336 10.237 458 H ASN 60 HN ASN 60 -3.934 6.364 12.492 459 HA ASN 60 HA ASN 60 -2.031 4.175 12.579 460 1HB ASN 60 HB2 ASN 60 -2.308 6.891 13.870 461 2HB ASN 60 HB1 ASN 60 -0.960 5.829 14.276 462 1HD2 ASN 60 HD21 ASN 60 -0.594 8.349 12.902 463 2HD2 ASN 60 HD22 ASN 60 -0.013 8.010 11.344 Start of MODEL 18 1 1H PHE 1 HT1 PHE 1 -19.528 -4.256 -7.767 2 2H PHE 1 HT2 PHE 1 -20.167 -2.790 -8.342 3 3H PHE 1 HT3 PHE 1 -20.608 -3.368 -6.807 4 HA PHE 1 HA PHE 1 -18.476 -2.933 -5.902 5 1HB PHE 1 HB2 PHE 1 -17.327 -3.885 -7.887 6 2HB PHE 1 HB1 PHE 1 -17.724 -2.434 -8.805 7 HD1 PHE 1 HD1 PHE 1 -15.641 -3.840 -6.116 8 HD2 PHE 1 HD2 PHE 1 -16.630 -0.298 -8.335 9 HE1 PHE 1 HE1 PHE 1 -13.617 -2.718 -5.227 10 HE2 PHE 1 HE2 PHE 1 -14.605 0.824 -7.448 11 HZ PHE 1 HZ PHE 1 -13.098 -0.386 -5.894 12 H VAL 2 HN VAL 2 -18.496 -0.921 -4.931 13 HA VAL 2 HA VAL 2 -19.344 1.416 -6.542 14 HB VAL 2 HB VAL 2 -20.616 2.116 -4.528 15 1HG1 VAL 2 HG11 VAL 2 -22.392 0.404 -4.718 16 2HG1 VAL 2 HG12 VAL 2 -21.255 -0.672 -5.530 17 3HG1 VAL 2 HG13 VAL 2 -21.745 0.838 -6.300 18 1HG2 VAL 2 HG21 VAL 2 -19.195 0.874 -2.884 19 2HG2 VAL 2 HG22 VAL 2 -19.892 -0.633 -3.477 20 3HG2 VAL 2 HG23 VAL 2 -20.917 0.556 -2.675 21 H ASN 3 HN ASN 3 -18.583 3.482 -5.666 22 HA ASN 3 HA ASN 3 -16.440 3.447 -3.629 23 1HB ASN 3 HB2 ASN 3 -15.413 2.726 -5.790 24 2HB ASN 3 HB1 ASN 3 -15.980 4.220 -6.534 25 1HD2 ASN 3 HD21 ASN 3 -13.164 3.050 -5.668 26 2HD2 ASN 3 HD22 ASN 3 -12.432 4.387 -4.920 27 H GLN 4 HN GLN 4 -17.991 4.888 -2.605 28 HA GLN 4 HA GLN 4 -18.817 7.367 -3.937 29 1HB GLN 4 HB2 GLN 4 -19.079 6.353 -1.092 30 2HB GLN 4 HB1 GLN 4 -19.944 7.734 -1.763 31 1HG GLN 4 HG2 GLN 4 -21.002 6.266 -3.442 32 2HG GLN 4 HG1 GLN 4 -20.142 4.877 -2.773 33 1HE2 GLN 4 HE21 GLN 4 -22.019 3.759 -1.974 34 2HE2 GLN 4 HE22 GLN 4 -22.985 4.375 -0.722 35 H HIS 5 HN HIS 5 -18.480 9.469 -2.760 36 HA HIS 5 HA HIS 5 -15.635 9.978 -2.344 37 1HB HIS 5 HB2 HIS 5 -18.175 11.626 -2.137 38 2HB HIS 5 HB1 HIS 5 -16.559 12.311 -1.968 39 HD1 HIS 5 HD1 HIS 5 -15.333 12.875 -4.094 40 HD2 HIS 5 HD2 HIS 5 -18.605 10.388 -4.789 41 HE1 HIS 5 HE1 HIS 5 -15.567 12.686 -6.608 42 H LEU 6 HN LEU 6 -14.598 10.322 -0.368 43 HA LEU 6 HA LEU 6 -15.947 9.484 2.081 44 1HB LEU 6 HB2 LEU 6 -13.179 10.464 1.342 45 2HB LEU 6 HB1 LEU 6 -13.614 10.026 2.994 46 HG LEU 6 HG LEU 6 -14.056 8.139 0.677 47 1HD1 LEU 6 HD11 LEU 6 -11.579 9.003 1.219 48 2HD1 LEU 6 HD12 LEU 6 -11.904 7.313 0.833 49 3HD1 LEU 6 HD13 LEU 6 -11.723 7.815 2.514 50 1HD2 LEU 6 HD21 LEU 6 -15.153 7.917 3.026 51 2HD2 LEU 6 HD22 LEU 6 -13.534 7.486 3.576 52 3HD2 LEU 6 HD23 LEU 6 -14.342 6.503 2.355 53 H CYS 7 HN CYS 7 -17.566 11.309 2.089 54 HA CYS 7 HA CYS 7 -16.469 13.665 3.530 55 1HB CYS 7 HB2 CYS 7 -16.693 13.792 0.860 56 2HB CYS 7 HB1 CYS 7 -18.360 14.187 1.278 57 H GLY 8 HN GLY 8 -18.382 15.110 4.232 58 1HA GLY 8 HA2 GLY 8 -20.342 15.305 5.494 59 2HA GLY 8 HA1 GLY 8 -21.078 14.338 4.215 60 H SER 9 HN SER 9 -22.253 12.790 5.312 61 HA SER 9 HA SER 9 -21.502 11.686 7.880 62 1HB SER 9 HB2 SER 9 -23.813 11.863 7.077 63 2HB SER 9 HB1 SER 9 -23.449 10.787 5.732 64 HG SER 9 HG SER 9 -24.386 10.003 7.928 65 H HIS 10 HN HIS 10 -21.027 10.661 4.542 66 HA HIS 10 HA HIS 10 -20.268 7.950 4.978 67 1HB HIS 10 HB2 HIS 10 -19.565 10.020 2.885 68 2HB HIS 10 HB1 HIS 10 -19.080 8.330 2.750 69 HD1 HIS 10 HD1 HIS 10 -20.910 6.590 2.244 70 HD2 HIS 10 HD2 HIS 10 -22.396 10.465 2.641 71 HE1 HIS 10 HE1 HIS 10 -23.301 6.528 1.412 72 H LEU 11 HN LEU 11 -18.300 10.936 5.026 73 HA LEU 11 HA LEU 11 -15.734 9.715 5.162 74 1HB LEU 11 HB2 LEU 11 -16.150 12.109 4.765 75 2HB LEU 11 HB1 LEU 11 -16.759 12.289 6.409 76 HG LEU 11 HG LEU 11 -14.507 11.472 7.233 77 1HD1 LEU 11 HD11 LEU 11 -12.645 11.396 5.727 78 2HD1 LEU 11 HD12 LEU 11 -13.604 12.054 4.405 79 3HD1 LEU 11 HD13 LEU 11 -13.914 10.422 4.990 80 1HD2 LEU 11 HD21 LEU 11 -15.300 13.954 6.797 81 2HD2 LEU 11 HD22 LEU 11 -14.069 13.907 5.535 82 3HD2 LEU 11 HD23 LEU 11 -13.620 13.624 7.217 83 H VAL 12 HN VAL 12 -17.837 10.777 7.885 84 HA VAL 12 HA VAL 12 -16.100 9.879 9.973 85 HB VAL 12 HB VAL 12 -19.120 10.178 9.816 86 1HG1 VAL 12 HG11 VAL 12 -17.261 9.561 12.076 87 2HG1 VAL 12 HG12 VAL 12 -18.917 9.019 11.807 88 3HG1 VAL 12 HG13 VAL 12 -18.608 10.654 12.392 89 1HG2 VAL 12 HG21 VAL 12 -18.475 12.344 11.082 90 2HG2 VAL 12 HG22 VAL 12 -18.163 12.287 9.347 91 3HG2 VAL 12 HG23 VAL 12 -16.842 12.039 10.489 92 H GLU 13 HN GLU 13 -18.888 8.292 8.432 93 HA GLU 13 HA GLU 13 -18.868 5.882 9.907 94 1HB GLU 13 HB2 GLU 13 -20.629 6.783 8.367 95 2HB GLU 13 HB1 GLU 13 -19.621 6.289 7.007 96 1HG GLU 13 HG2 GLU 13 -19.693 3.954 7.788 97 2HG GLU 13 HG1 GLU 13 -20.686 4.438 9.160 98 H ALA 14 HN ALA 14 -17.369 6.466 6.699 99 HA ALA 14 HA ALA 14 -16.240 3.871 6.411 100 1HB ALA 14 HB1 ALA 14 -15.380 4.752 4.471 101 2HB ALA 14 HB2 ALA 14 -14.847 6.236 5.260 102 3HB ALA 14 HB3 ALA 14 -16.547 6.021 4.840 103 H LEU 15 HN LEU 15 -14.698 6.893 7.578 104 HA LEU 15 HA LEU 15 -12.115 5.816 8.049 105 1HB LEU 15 HB2 LEU 15 -13.764 8.111 9.020 106 2HB LEU 15 HB1 LEU 15 -12.255 7.773 9.860 107 HG LEU 15 HG LEU 15 -12.064 9.430 7.969 108 1HD1 LEU 15 HD11 LEU 15 -10.018 8.503 8.605 109 2HD1 LEU 15 HD12 LEU 15 -10.083 8.118 6.886 110 3HD1 LEU 15 HD13 LEU 15 -10.474 6.884 8.082 111 1HD2 LEU 15 HD21 LEU 15 -12.008 8.531 5.662 112 2HD2 LEU 15 HD22 LEU 15 -13.612 8.381 6.374 113 3HD2 LEU 15 HD23 LEU 15 -12.562 6.970 6.265 114 H TYR 16 HN TYR 16 -14.851 6.147 10.358 115 HA TYR 16 HA TYR 16 -13.521 5.030 12.616 116 1HB TYR 16 HB2 TYR 16 -15.659 6.260 12.680 117 2HB TYR 16 HB1 TYR 16 -16.450 4.946 11.808 118 HD1 TYR 16 HD1 TYR 16 -14.969 5.986 15.022 119 HD2 TYR 16 HD2 TYR 16 -16.893 2.799 12.880 120 HE1 TYR 16 HE1 TYR 16 -15.349 4.778 17.156 121 HE2 TYR 16 HE2 TYR 16 -17.273 1.593 15.012 122 HH TYR 16 HH TYR 16 -17.027 3.009 17.996 123 H LEU 17 HN LEU 17 -15.587 3.412 10.175 124 HA LEU 17 HA LEU 17 -15.426 0.798 11.248 125 1HB LEU 17 HB2 LEU 17 -15.776 1.876 8.470 126 2HB LEU 17 HB1 LEU 17 -15.993 0.174 8.861 127 HG LEU 17 HG LEU 17 -17.480 2.449 10.205 128 1HD1 LEU 17 HD11 LEU 17 -18.400 2.421 8.059 129 2HD1 LEU 17 HD12 LEU 17 -19.422 1.255 8.901 130 3HD1 LEU 17 HD13 LEU 17 -18.119 0.693 7.854 131 1HD2 LEU 17 HD21 LEU 17 -17.469 0.652 11.724 132 2HD2 LEU 17 HD22 LEU 17 -17.513 -0.556 10.440 133 3HD2 LEU 17 HD23 LEU 17 -18.959 0.380 10.820 134 H VAL 18 HN VAL 18 -13.321 2.429 8.872 135 HA VAL 18 HA VAL 18 -11.615 0.150 8.386 136 HB VAL 18 HB VAL 18 -11.321 3.122 8.010 137 1HG1 VAL 18 HG11 VAL 18 -9.428 0.893 7.460 138 2HG1 VAL 18 HG12 VAL 18 -9.092 2.585 7.823 139 3HG1 VAL 18 HG13 VAL 18 -9.602 2.117 6.201 140 1HG2 VAL 18 HG21 VAL 18 -13.113 2.017 6.718 141 2HG2 VAL 18 HG22 VAL 18 -11.933 0.874 6.078 142 3HG2 VAL 18 HG23 VAL 18 -11.820 2.584 5.662 143 H CYS 19 HN CYS 19 -11.171 3.076 10.382 144 HA CYS 19 HA CYS 19 -8.645 2.244 11.501 145 1HB CYS 19 HB2 CYS 19 -10.744 4.274 12.200 146 2HB CYS 19 HB1 CYS 19 -9.262 4.121 13.139 147 H GLY 20 HN GLY 20 -12.008 1.919 12.529 148 1HA GLY 20 HA2 GLY 20 -12.873 0.194 13.910 149 2HA GLY 20 HA1 GLY 20 -11.230 -0.202 14.387 150 H GLU 21 HN GLU 21 -10.835 2.824 14.972 151 HA GLU 21 HA GLU 21 -12.619 3.344 17.206 152 1HB GLU 21 HB2 GLU 21 -11.160 1.493 18.006 153 2HB GLU 21 HB1 GLU 21 -9.750 2.511 17.715 154 1HG GLU 21 HG2 GLU 21 -10.527 4.137 19.353 155 2HG GLU 21 HG1 GLU 21 -12.030 3.246 19.574 156 H ARG 22 HN ARG 22 -11.882 5.312 18.436 157 HA ARG 22 HA ARG 22 -10.687 7.269 16.594 158 1HB ARG 22 HB2 ARG 22 -12.143 7.402 19.243 159 2HB ARG 22 HB1 ARG 22 -11.545 8.831 18.399 160 1HG ARG 22 HG2 ARG 22 -12.894 8.207 16.413 161 2HG ARG 22 HG1 ARG 22 -13.518 6.812 17.292 162 1HD ARG 22 HD2 ARG 22 -15.106 8.730 17.387 163 2HD ARG 22 HD1 ARG 22 -14.492 8.330 19.004 164 HE ARG 22 HE ARG 22 -13.203 10.336 18.974 165 1HH1 ARG 22 HH11 ARG 22 -15.608 10.682 16.806 166 2HH1 ARG 22 HH12 ARG 22 -14.775 11.737 15.714 167 1HH2 ARG 22 HH21 ARG 22 -11.673 11.243 17.182 168 2HH2 ARG 22 HH22 ARG 22 -12.548 12.055 15.926 169 H GLY 23 HN GLY 23 -9.159 5.148 18.352 170 1HA GLY 23 HA2 GLY 23 -7.682 6.608 20.321 171 2HA GLY 23 HA1 GLY 23 -7.191 5.074 19.606 172 H PHE 24 HN PHE 24 -7.376 6.370 16.831 173 HA PHE 24 HA PHE 24 -4.599 7.201 16.714 174 1HB PHE 24 HB2 PHE 24 -5.018 7.344 14.339 175 2HB PHE 24 HB1 PHE 24 -5.928 5.965 14.943 176 HD1 PHE 24 HD1 PHE 24 -6.123 9.372 13.611 177 HD2 PHE 24 HD2 PHE 24 -8.388 6.038 15.079 178 HE1 PHE 24 HE1 PHE 24 -8.193 10.376 12.681 179 HE2 PHE 24 HE2 PHE 24 -10.461 7.037 14.151 180 HZ PHE 24 HZ PHE 24 -10.364 9.206 12.950 181 H PHE 25 HN PHE 25 -3.815 9.209 17.001 182 HA PHE 25 HA PHE 25 -5.468 11.404 17.813 183 1HB PHE 25 HB2 PHE 25 -2.596 10.817 17.329 184 2HB PHE 25 HB1 PHE 25 -3.057 12.517 17.386 185 HD1 PHE 25 HD1 PHE 25 -3.741 9.327 19.255 186 HD2 PHE 25 HD2 PHE 25 -3.057 13.562 19.458 187 HE1 PHE 25 HE1 PHE 25 -3.834 9.225 21.731 188 HE2 PHE 25 HE2 PHE 25 -3.150 13.461 21.933 189 HZ PHE 25 HZ PHE 25 -3.538 11.292 23.070 190 H TYR 26 HN TYR 26 -3.728 10.756 14.747 191 HA TYR 26 HA TYR 26 -3.828 11.874 12.657 192 1HB TYR 26 HB2 TYR 26 -6.288 11.242 13.129 193 2HB TYR 26 HB1 TYR 26 -6.502 12.913 13.646 194 HD1 TYR 26 HD1 TYR 26 -5.692 10.709 10.788 195 HD2 TYR 26 HD2 TYR 26 -6.474 14.747 12.035 196 HE1 TYR 26 HE1 TYR 26 -5.903 11.400 8.419 197 HE2 TYR 26 HE2 TYR 26 -6.678 15.440 9.665 198 HH TYR 26 HH TYR 26 -6.278 13.103 6.994 199 H THR 27 HN THR 27 -2.358 13.174 14.588 200 HA THR 27 HA THR 27 -3.224 15.901 15.037 201 HB THR 27 HB THR 27 -0.744 16.021 15.793 202 HG1 THR 27 HG1 THR 27 0.335 14.141 15.794 203 1HG2 THR 27 HG21 THR 27 -2.993 14.425 16.886 204 2HG2 THR 27 HG22 THR 27 -2.099 15.758 17.616 205 3HG2 THR 27 HG23 THR 27 -1.413 14.135 17.612 206 HA PRO 28 HA PRO 28 -1.425 17.074 11.068 207 1HB PRO 28 HB2 PRO 28 -3.158 19.137 10.575 208 2HB PRO 28 HB1 PRO 28 -3.563 17.438 10.269 209 1HG PRO 28 HG2 PRO 28 -4.619 19.234 12.288 210 2HG PRO 28 HG1 PRO 28 -5.196 17.637 11.797 211 1HD PRO 28 HD2 PRO 28 -3.565 18.370 14.095 212 2HD PRO 28 HD1 PRO 28 -4.394 16.839 13.746 213 H LYS 29 HN LYS 29 -0.985 19.566 10.265 214 HA LYS 29 HA LYS 29 0.975 20.662 12.026 215 1HB LYS 29 HB2 LYS 29 0.677 20.843 9.471 216 2HB LYS 29 HB1 LYS 29 -0.489 22.122 9.814 217 1HG LYS 29 HG2 LYS 29 1.203 23.423 10.979 218 2HG LYS 29 HG1 LYS 29 2.375 22.114 10.805 219 1HD LYS 29 HD2 LYS 29 1.052 23.331 8.384 220 2HD LYS 29 HD1 LYS 29 2.478 24.078 9.102 221 1HE LYS 29 HE2 LYS 29 3.684 21.882 8.882 222 2HE LYS 29 HE1 LYS 29 2.271 21.243 8.020 223 1HZ LYS 29 HZ1 LYS 29 4.175 23.319 7.186 224 2HZ LYS 29 HZ2 LYS 29 2.564 23.468 6.665 225 3HZ LYS 29 HZ3 LYS 29 3.463 22.084 6.270 226 H THR 30 HN THR 30 -2.412 21.441 11.428 227 HA THR 30 HA THR 30 -3.937 22.826 12.551 228 HB THR 30 HB THR 30 -1.971 22.363 14.811 229 HG1 THR 30 HG1 THR 30 -4.236 20.819 14.115 230 1HG2 THR 30 HG21 THR 30 -3.496 23.338 16.155 231 2HG2 THR 30 HG22 THR 30 -4.791 22.347 15.486 232 3HG2 THR 30 HG23 THR 30 -4.352 23.866 14.706 233 H ARG 31 HN ARG 31 -2.366 24.427 11.018 234 HA ARG 31 HA ARG 31 -0.927 26.454 12.493 235 1HB ARG 31 HB2 ARG 31 -2.200 26.387 9.731 236 2HB ARG 31 HB1 ARG 31 -1.127 27.669 10.295 237 1HG ARG 31 HG2 ARG 31 0.666 26.004 10.665 238 2HG ARG 31 HG1 ARG 31 -0.404 24.732 10.081 239 1HD ARG 31 HD2 ARG 31 1.066 25.450 8.246 240 2HD ARG 31 HD1 ARG 31 -0.594 25.973 7.892 241 HE ARG 31 HE ARG 31 0.036 28.231 8.403 242 1HH1 ARG 31 HH11 ARG 31 1.772 27.620 10.796 243 2HH1 ARG 31 HH12 ARG 31 3.339 28.066 10.213 244 1HH2 ARG 31 HH21 ARG 31 2.392 28.116 6.882 245 2HH2 ARG 31 HH22 ARG 31 3.689 28.351 8.006 246 H ARG 32 HN ARG 32 -4.245 25.976 11.407 247 HA ARG 32 HA ARG 32 -5.143 28.214 13.138 248 1HB ARG 32 HB2 ARG 32 -5.958 27.683 10.265 249 2HB ARG 32 HB1 ARG 32 -6.637 28.943 11.292 250 1HG ARG 32 HG2 ARG 32 -4.323 29.904 11.523 251 2HG ARG 32 HG1 ARG 32 -3.773 28.725 10.328 252 1HD ARG 32 HD2 ARG 32 -5.620 29.627 8.792 253 2HD ARG 32 HD1 ARG 32 -5.764 30.972 9.937 254 HE ARG 32 HE ARG 32 -3.687 31.781 9.169 255 1HH1 ARG 32 HH11 ARG 32 -4.516 29.174 7.247 256 2HH1 ARG 32 HH12 ARG 32 -2.899 28.765 6.789 257 1HH2 ARG 32 HH21 ARG 32 -1.417 30.954 9.029 258 2HH2 ARG 32 HH22 ARG 32 -1.148 29.773 7.791 259 H TYR 33 HN TYR 33 -7.422 27.954 13.795 260 HA TYR 33 HA TYR 33 -8.839 25.491 13.008 261 1HB TYR 33 HB2 TYR 33 -7.084 25.282 15.062 262 2HB TYR 33 HB1 TYR 33 -8.522 25.813 15.931 263 HD1 TYR 33 HD1 TYR 33 -10.317 24.324 16.362 264 HD2 TYR 33 HD2 TYR 33 -7.305 23.281 13.482 265 HE1 TYR 33 HE1 TYR 33 -11.297 22.055 16.158 266 HE2 TYR 33 HE2 TYR 33 -8.281 21.010 13.283 267 HH TYR 33 HH TYR 33 -10.020 19.568 15.276 268 HA PRO 34 HA PRO 34 -11.371 29.191 14.339 269 1HB PRO 34 HB2 PRO 34 -12.356 29.927 11.902 270 2HB PRO 34 HB1 PRO 34 -10.825 30.545 12.553 271 1HG PRO 34 HG2 PRO 34 -11.303 28.493 10.476 272 2HG PRO 34 HG1 PRO 34 -9.978 29.651 10.640 273 1HD PRO 34 HD2 PRO 34 -9.860 26.953 11.291 274 2HD PRO 34 HD1 PRO 34 -8.725 28.202 11.843 275 H GLY 35 HN GLY 35 -11.969 26.451 12.217 276 1HA GLY 35 HA2 GLY 35 -13.821 24.915 12.598 277 2HA GLY 35 HA1 GLY 35 -14.724 26.244 13.332 278 H ASP 36 HN ASP 36 -12.934 26.293 10.287 279 HA ASP 36 HA ASP 36 -15.199 27.495 8.886 280 1HB ASP 36 HB2 ASP 36 -13.550 27.621 7.058 281 2HB ASP 36 HB1 ASP 36 -12.837 28.154 8.577 282 H VAL 37 HN VAL 37 -16.513 25.340 9.372 283 HA VAL 37 HA VAL 37 -17.539 23.394 8.523 284 HB VAL 37 HB VAL 37 -16.454 24.690 6.000 285 1HG1 VAL 37 HG11 VAL 37 -17.150 22.439 5.469 286 2HG1 VAL 37 HG12 VAL 37 -18.431 23.526 4.938 287 3HG1 VAL 37 HG13 VAL 37 -18.614 22.609 6.433 288 1HG2 VAL 37 HG21 VAL 37 -19.092 25.294 6.098 289 2HG2 VAL 37 HG22 VAL 37 -17.845 26.329 6.791 290 3HG2 VAL 37 HG23 VAL 37 -18.740 25.215 7.824 291 H LYS 38 HN LYS 38 -15.116 23.259 5.912 292 HA LYS 38 HA LYS 38 -14.381 20.544 6.725 293 1HB LYS 38 HB2 LYS 38 -13.413 22.422 4.545 294 2HB LYS 38 HB1 LYS 38 -12.908 20.740 4.690 295 1HG LYS 38 HG2 LYS 38 -15.273 20.024 4.491 296 2HG LYS 38 HG1 LYS 38 -15.753 21.710 4.308 297 1HD LYS 38 HD2 LYS 38 -14.359 21.899 2.280 298 2HD LYS 38 HD1 LYS 38 -13.877 20.212 2.460 299 1HE LYS 38 HE2 LYS 38 -15.680 20.193 0.874 300 2HE LYS 38 HE1 LYS 38 -16.404 19.664 2.406 301 1HZ LYS 38 HZ1 LYS 38 -17.148 21.858 2.856 302 2HZ LYS 38 HZ2 LYS 38 -17.630 21.499 1.267 303 3HZ LYS 38 HZ3 LYS 38 -16.286 22.499 1.544 304 H ARG 39 HN ARG 39 -12.345 19.897 7.509 305 HA ARG 39 HA ARG 39 -10.897 21.768 9.148 306 1HB ARG 39 HB2 ARG 39 -10.261 18.954 8.206 307 2HB ARG 39 HB1 ARG 39 -9.444 19.784 9.530 308 1HG ARG 39 HG2 ARG 39 -11.795 20.091 10.547 309 2HG ARG 39 HG1 ARG 39 -12.316 18.871 9.384 310 1HD ARG 39 HD2 ARG 39 -11.733 17.777 11.509 311 2HD ARG 39 HD1 ARG 39 -10.529 17.335 10.281 312 HE ARG 39 HE ARG 39 -9.793 19.771 11.685 313 1HH1 ARG 39 HH21 ARG 39 -10.358 17.648 13.802 314 2HH1 ARG 39 HH22 ARG 39 -8.785 16.952 14.001 315 1HH2 ARG 39 HH11 ARG 39 -7.528 18.308 11.067 316 2HH2 ARG 39 HH12 ARG 39 -7.180 17.325 12.451 317 H GLY 40 HN GLY 40 -10.464 20.483 5.906 318 1HA GLY 40 HA2 GLY 40 -9.148 22.213 4.483 319 2HA GLY 40 HA1 GLY 40 -7.865 21.925 5.660 320 H ILE 41 HN ILE 41 -7.617 19.376 6.026 321 HA ILE 41 HA ILE 41 -6.582 18.308 3.559 322 HB ILE 41 HB ILE 41 -5.701 17.890 5.849 323 1HG1 ILE 41 HG12 ILE 41 -6.582 15.257 4.674 324 2HG1 ILE 41 HG11 ILE 41 -5.446 16.298 3.816 325 1HG2 ILE 41 HG21 ILE 41 -8.035 16.000 6.218 326 2HG2 ILE 41 HG22 ILE 41 -8.052 17.644 6.852 327 3HG2 ILE 41 HG23 ILE 41 -6.838 16.497 7.414 328 1HD1 ILE 41 HD11 ILE 41 -3.745 15.717 5.187 329 2HD1 ILE 41 HD12 ILE 41 -4.797 14.445 5.806 330 3HD1 ILE 41 HD13 ILE 41 -4.718 16.001 6.631 331 H VAL 42 HN VAL 42 -9.566 17.678 5.393 332 HA VAL 42 HA VAL 42 -10.471 15.369 3.997 333 HB VAL 42 HB VAL 42 -12.721 16.159 4.782 334 1HG1 VAL 42 HG11 VAL 42 -11.654 14.906 6.421 335 2HG1 VAL 42 HG12 VAL 42 -11.853 16.439 7.269 336 3HG1 VAL 42 HG13 VAL 42 -10.300 16.029 6.540 337 1HG2 VAL 42 HG21 VAL 42 -12.995 18.238 5.890 338 2HG2 VAL 42 HG22 VAL 42 -12.080 18.634 4.437 339 3HG2 VAL 42 HG23 VAL 42 -11.257 18.511 5.991 340 H GLU 43 HN GLU 43 -10.510 18.748 3.072 341 HA GLU 43 HA GLU 43 -12.526 18.700 1.082 342 1HB GLU 43 HB2 GLU 43 -11.375 20.699 2.032 343 2HB GLU 43 HB1 GLU 43 -9.927 20.258 1.121 344 1HG GLU 43 HG2 GLU 43 -11.136 20.441 -0.978 345 2HG GLU 43 HG1 GLU 43 -12.641 20.753 -0.117 346 H GLN 44 HN GLN 44 -9.128 17.722 0.956 347 HA GLN 44 HA GLN 44 -8.799 17.466 -1.860 348 1HB GLN 44 HB2 GLN 44 -7.010 17.358 -0.158 349 2HB GLN 44 HB1 GLN 44 -7.666 15.835 0.438 350 1HG GLN 44 HG2 GLN 44 -7.282 14.831 -1.818 351 2HG GLN 44 HG1 GLN 44 -6.517 16.339 -2.324 352 1HE2 GLN 44 HE21 GLN 44 -4.286 15.934 -2.344 353 2HE2 GLN 44 HE22 GLN 44 -3.432 15.183 -1.084 354 H CYS 45 HN CYS 45 -9.990 15.076 0.536 355 HA CYS 45 HA CYS 45 -10.450 13.035 -1.511 356 1HB CYS 45 HB2 CYS 45 -11.333 13.282 1.384 357 2HB CYS 45 HB1 CYS 45 -11.416 11.810 0.420 358 H CYS 46 HN CYS 46 -12.338 15.536 0.091 359 HA CYS 46 HA CYS 46 -14.951 14.568 -0.685 360 1HB CYS 46 HB2 CYS 46 -13.792 17.246 0.125 361 2HB CYS 46 HB1 CYS 46 -15.512 17.027 -0.198 362 H THR 47 HN THR 47 -12.628 16.834 -2.167 363 HA THR 47 HA THR 47 -14.357 17.537 -4.407 364 HB THR 47 HB THR 47 -11.354 17.739 -3.976 365 HG1 THR 47 HG1 THR 47 -13.410 19.655 -3.609 366 1HG2 THR 47 HG21 THR 47 -12.291 17.967 -6.366 367 2HG2 THR 47 HG22 THR 47 -11.298 19.293 -5.761 368 3HG2 THR 47 HG23 THR 47 -13.055 19.449 -5.791 369 H SER 48 HN SER 48 -11.611 15.322 -3.941 370 HA SER 48 HA SER 48 -12.444 13.826 -6.404 371 1HB SER 48 HB2 SER 48 -9.650 14.550 -5.451 372 2HB SER 48 HB1 SER 48 -10.009 13.552 -6.857 373 HG SER 48 HG SER 48 -9.816 15.550 -7.680 374 H ILE 49 HN ILE 49 -12.089 11.507 -6.211 375 HA ILE 49 HA ILE 49 -12.288 10.458 -3.523 376 HB ILE 49 HB ILE 49 -11.668 9.086 -6.168 377 1HG1 ILE 49 HG12 ILE 49 -14.328 9.485 -4.755 378 2HG1 ILE 49 HG11 ILE 49 -13.777 10.465 -6.114 379 1HG2 ILE 49 HG21 ILE 49 -12.876 7.985 -3.609 380 2HG2 ILE 49 HG22 ILE 49 -11.202 7.738 -4.105 381 3HG2 ILE 49 HG23 ILE 49 -12.516 7.072 -5.075 382 1HD1 ILE 49 HD11 ILE 49 -13.510 8.314 -7.430 383 2HD1 ILE 49 HD12 ILE 49 -15.176 8.736 -7.030 384 3HD1 ILE 49 HD13 ILE 49 -14.336 7.489 -6.108 385 H CYS 50 HN CYS 50 -10.643 10.015 -2.138 386 HA CYS 50 HA CYS 50 -7.855 10.385 -2.939 387 1HB CYS 50 HB2 CYS 50 -9.427 9.811 -0.447 388 2HB CYS 50 HB1 CYS 50 -7.682 9.557 -0.422 389 H SER 51 HN SER 51 -6.199 8.725 -2.706 390 HA SER 51 HA SER 51 -7.047 6.110 -3.687 391 1HB SER 51 HB2 SER 51 -4.639 5.740 -3.811 392 2HB SER 51 HB1 SER 51 -4.993 7.369 -4.374 393 HG SER 51 HG SER 51 -3.246 6.913 -2.688 394 H LEU 52 HN LEU 52 -6.931 4.149 -2.574 395 HA LEU 52 HA LEU 52 -7.542 4.069 0.184 396 1HB LEU 52 HB2 LEU 52 -8.079 2.322 -1.457 397 2HB LEU 52 HB1 LEU 52 -6.365 1.962 -1.654 398 HG LEU 52 HG LEU 52 -6.267 1.410 0.797 399 1HD1 LEU 52 HD11 LEU 52 -8.769 2.659 0.851 400 2HD1 LEU 52 HD12 LEU 52 -8.032 1.743 2.163 401 3HD1 LEU 52 HD13 LEU 52 -9.140 0.946 1.048 402 1HD2 LEU 52 HD21 LEU 52 -6.416 -0.424 -0.731 403 2HD2 LEU 52 HD22 LEU 52 -8.126 -0.119 -1.038 404 3HD2 LEU 52 HD23 LEU 52 -7.609 -0.748 0.527 405 H TYR 53 HN TYR 53 -4.409 3.646 -1.466 406 HA TYR 53 HA TYR 53 -2.864 2.770 0.751 407 1HB TYR 53 HB2 TYR 53 -2.150 2.781 -1.604 408 2HB TYR 53 HB1 TYR 53 -2.129 4.537 -1.577 409 HD1 TYR 53 HD1 TYR 53 -0.390 5.774 -0.364 410 HD2 TYR 53 HD2 TYR 53 -0.454 1.480 -0.425 411 HE1 TYR 53 HE1 TYR 53 1.932 5.727 0.508 412 HE2 TYR 53 HE2 TYR 53 1.866 1.433 0.448 413 HH TYR 53 HH TYR 53 3.312 3.233 1.924 414 H GLN 54 HN GLN 54 -3.600 6.096 -0.348 415 HA GLN 54 HA GLN 54 -2.040 7.408 1.704 416 1HB GLN 54 HB2 GLN 54 -4.367 8.239 -0.054 417 2HB GLN 54 HB1 GLN 54 -3.512 9.363 1.004 418 1HG GLN 54 HG2 GLN 54 -1.391 8.832 -0.136 419 2HG GLN 54 HG1 GLN 54 -2.242 7.709 -1.196 420 1HE2 GLN 54 HE21 GLN 54 -2.069 8.841 -3.191 421 2HE2 GLN 54 HE22 GLN 54 -2.700 10.397 -3.440 422 H LEU 55 HN LEU 55 -5.444 6.398 1.444 423 HA LEU 55 HA LEU 55 -6.429 7.585 3.844 424 1HB LEU 55 HB2 LEU 55 -7.133 5.071 2.310 425 2HB LEU 55 HB1 LEU 55 -8.112 5.687 3.640 426 HG LEU 55 HG LEU 55 -7.393 7.287 1.167 427 1HD1 LEU 55 HD11 LEU 55 -10.173 6.367 1.757 428 2HD1 LEU 55 HD12 LEU 55 -9.047 5.185 1.091 429 3HD1 LEU 55 HD13 LEU 55 -9.397 6.667 0.202 430 1HD2 LEU 55 HD21 LEU 55 -9.427 8.619 2.129 431 2HD2 LEU 55 HD22 LEU 55 -7.846 8.832 2.882 432 3HD2 LEU 55 HD23 LEU 55 -9.048 7.783 3.635 433 H GLU 56 HN GLU 56 -4.930 4.413 3.247 434 HA GLU 56 HA GLU 56 -5.119 3.379 5.906 435 1HB GLU 56 HB2 GLU 56 -3.173 2.952 3.619 436 2HB GLU 56 HB1 GLU 56 -3.158 1.972 5.087 437 1HG GLU 56 HG2 GLU 56 -5.502 1.323 4.686 438 2HG GLU 56 HG1 GLU 56 -5.528 2.308 3.223 439 H ASN 57 HN ASN 57 -2.636 5.389 4.320 440 HA ASN 57 HA ASN 57 -0.707 5.386 6.433 441 1HB ASN 57 HB2 ASN 57 -0.342 6.135 4.090 442 2HB ASN 57 HB1 ASN 57 -1.378 7.531 4.389 443 1HD2 ASN 57 HD21 ASN 57 0.473 9.001 4.018 444 2HD2 ASN 57 HD22 ASN 57 1.686 9.175 5.192 445 H TYR 58 HN TYR 58 -3.486 7.512 5.787 446 HA TYR 58 HA TYR 58 -3.024 9.461 7.808 447 1HB TYR 58 HB2 TYR 58 -5.441 8.330 6.413 448 2HB TYR 58 HB1 TYR 58 -5.625 9.560 7.656 449 HD1 TYR 58 HD1 TYR 58 -3.288 11.313 7.218 450 HD2 TYR 58 HD2 TYR 58 -5.849 9.375 4.366 451 HE1 TYR 58 HE1 TYR 58 -2.730 13.046 5.537 452 HE2 TYR 58 HE2 TYR 58 -5.291 11.106 2.687 453 HH TYR 58 HH TYR 58 -3.829 14.012 3.461 454 H CYS 59 HN CYS 59 -4.707 6.328 7.963 455 HA CYS 59 HA CYS 59 -5.372 6.701 10.813 456 1HB CYS 59 HB2 CYS 59 -6.813 5.591 9.031 457 2HB CYS 59 HB1 CYS 59 -5.657 4.259 9.039 458 H ASN 60 HN ASN 60 -2.755 5.394 8.947 459 HA ASN 60 HA ASN 60 -1.872 3.376 10.849 460 1HB ASN 60 HB2 ASN 60 -0.686 4.848 8.498 461 2HB ASN 60 HB1 ASN 60 0.307 3.761 9.468 462 1HD2 ASN 60 HD21 ASN 60 -0.325 3.196 6.711 463 2HD2 ASN 60 HD22 ASN 60 -1.311 1.816 6.669 Start of MODEL 19 1 1H PHE 1 HT1 PHE 1 -18.451 -4.761 -5.341 2 2H PHE 1 HT2 PHE 1 -19.655 -3.829 -6.094 3 3H PHE 1 HT3 PHE 1 -19.219 -3.517 -4.482 4 HA PHE 1 HA PHE 1 -16.926 -2.953 -5.302 5 1HB PHE 1 HB2 PHE 1 -17.308 -4.273 -7.399 6 2HB PHE 1 HB1 PHE 1 -18.448 -3.034 -7.928 7 HD1 PHE 1 HD1 PHE 1 -14.926 -3.888 -7.436 8 HD2 PHE 1 HD2 PHE 1 -17.668 -0.728 -8.410 9 HE1 PHE 1 HE1 PHE 1 -13.045 -2.520 -8.297 10 HE2 PHE 1 HE2 PHE 1 -15.787 0.639 -9.272 11 HZ PHE 1 HZ PHE 1 -13.475 -0.257 -9.215 12 H VAL 2 HN VAL 2 -16.754 -0.788 -4.820 13 HA VAL 2 HA VAL 2 -18.945 1.031 -5.628 14 HB VAL 2 HB VAL 2 -18.674 2.076 -3.397 15 1HG1 VAL 2 HG11 VAL 2 -19.143 -0.917 -3.315 16 2HG1 VAL 2 HG12 VAL 2 -20.354 0.301 -3.714 17 3HG1 VAL 2 HG13 VAL 2 -19.673 0.235 -2.088 18 1HG2 VAL 2 HG21 VAL 2 -16.229 1.181 -3.238 19 2HG2 VAL 2 HG22 VAL 2 -16.980 -0.284 -2.607 20 3HG2 VAL 2 HG23 VAL 2 -17.194 1.250 -1.765 21 H ASN 3 HN ASN 3 -18.253 3.304 -5.758 22 HA ASN 3 HA ASN 3 -15.356 3.879 -5.829 23 1HB ASN 3 HB2 ASN 3 -15.971 2.793 -8.009 24 2HB ASN 3 HB1 ASN 3 -17.156 4.073 -8.272 25 1HD2 ASN 3 HD21 ASN 3 -15.996 4.899 -10.157 26 2HD2 ASN 3 HD22 ASN 3 -14.526 5.732 -9.992 27 H GLN 4 HN GLN 4 -15.783 5.540 -4.313 28 HA GLN 4 HA GLN 4 -17.219 7.920 -5.387 29 1HB GLN 4 HB2 GLN 4 -17.759 6.644 -2.689 30 2HB GLN 4 HB1 GLN 4 -18.546 8.080 -3.329 31 1HG GLN 4 HG2 GLN 4 -19.427 6.695 -5.225 32 2HG GLN 4 HG1 GLN 4 -18.746 5.265 -4.445 33 1HE2 GLN 4 HE21 GLN 4 -20.575 8.106 -3.156 34 2HE2 GLN 4 HE22 GLN 4 -21.739 7.167 -2.352 35 H HIS 5 HN HIS 5 -16.748 9.859 -4.104 36 HA HIS 5 HA HIS 5 -13.970 9.978 -3.200 37 1HB HIS 5 HB2 HIS 5 -16.264 11.961 -3.309 38 2HB HIS 5 HB1 HIS 5 -14.607 12.395 -2.893 39 HD1 HIS 5 HD1 HIS 5 -12.781 12.061 -4.791 40 HD2 HIS 5 HD2 HIS 5 -16.728 11.608 -6.053 41 HE1 HIS 5 HE1 HIS 5 -12.739 12.151 -7.321 42 H LEU 6 HN LEU 6 -13.283 10.486 -1.056 43 HA LEU 6 HA LEU 6 -15.021 9.529 1.089 44 1HB LEU 6 HB2 LEU 6 -12.190 10.576 0.877 45 2HB LEU 6 HB1 LEU 6 -12.900 10.081 2.414 46 HG LEU 6 HG LEU 6 -13.085 8.208 0.086 47 1HD1 LEU 6 HD11 LEU 6 -10.736 8.877 0.064 48 2HD1 LEU 6 HD12 LEU 6 -10.874 7.251 0.730 49 3HD1 LEU 6 HD13 LEU 6 -10.621 8.625 1.806 50 1HD2 LEU 6 HD21 LEU 6 -13.347 8.164 3.021 51 2HD2 LEU 6 HD22 LEU 6 -12.416 6.813 2.376 52 3HD2 LEU 6 HD23 LEU 6 -14.062 7.097 1.813 53 H CYS 7 HN CYS 7 -16.590 11.402 0.600 54 HA CYS 7 HA CYS 7 -15.983 13.677 2.420 55 1HB CYS 7 HB2 CYS 7 -16.147 13.703 -0.531 56 2HB CYS 7 HB1 CYS 7 -17.158 14.919 0.247 57 H GLY 8 HN GLY 8 -18.176 15.181 2.150 58 1HA GLY 8 HA2 GLY 8 -20.438 15.290 2.762 59 2HA GLY 8 HA1 GLY 8 -20.668 14.076 1.499 60 H SER 9 HN SER 9 -22.131 12.696 2.595 61 HA SER 9 HA SER 9 -21.768 11.930 5.387 62 1HB SER 9 HB2 SER 9 -23.718 10.557 4.944 63 2HB SER 9 HB1 SER 9 -23.932 12.088 4.101 64 HG SER 9 HG SER 9 -24.196 9.854 2.994 65 H HIS 10 HN HIS 10 -20.705 10.659 2.302 66 HA HIS 10 HA HIS 10 -20.195 7.938 3.015 67 1HB HIS 10 HB2 HIS 10 -20.229 8.957 0.727 68 2HB HIS 10 HB1 HIS 10 -18.690 9.739 1.092 69 HD1 HIS 10 HD1 HIS 10 -20.202 6.262 0.824 70 HD2 HIS 10 HD2 HIS 10 -16.462 8.101 0.738 71 HE1 HIS 10 HE1 HIS 10 -18.534 4.463 0.195 72 H LEU 11 HN LEU 11 -18.253 10.875 3.447 73 HA LEU 11 HA LEU 11 -15.757 9.678 4.109 74 1HB LEU 11 HB2 LEU 11 -16.009 12.037 3.623 75 2HB LEU 11 HB1 LEU 11 -17.126 12.249 4.968 76 HG LEU 11 HG LEU 11 -15.315 11.716 6.562 77 1HD1 LEU 11 HD11 LEU 11 -13.592 11.567 4.067 78 2HD1 LEU 11 HD12 LEU 11 -14.001 10.215 5.123 79 3HD1 LEU 11 HD13 LEU 11 -12.989 11.528 5.724 80 1HD2 LEU 11 HD21 LEU 11 -14.429 13.817 4.561 81 2HD2 LEU 11 HD22 LEU 11 -14.056 13.773 6.284 82 3HD2 LEU 11 HD23 LEU 11 -15.710 14.066 5.747 83 H VAL 12 HN VAL 12 -18.400 10.713 6.322 84 HA VAL 12 HA VAL 12 -17.171 9.834 8.750 85 HB VAL 12 HB VAL 12 -20.064 10.118 7.859 86 1HG1 VAL 12 HG11 VAL 12 -20.665 10.175 10.233 87 2HG1 VAL 12 HG12 VAL 12 -18.981 9.913 10.688 88 3HG1 VAL 12 HG13 VAL 12 -19.879 8.641 9.858 89 1HG2 VAL 12 HG21 VAL 12 -18.112 11.920 9.311 90 2HG2 VAL 12 HG22 VAL 12 -19.845 12.240 9.234 91 3HG2 VAL 12 HG23 VAL 12 -18.887 12.209 7.753 92 H GLU 13 HN GLU 13 -19.450 8.182 6.568 93 HA GLU 13 HA GLU 13 -19.720 5.744 7.986 94 1HB GLU 13 HB2 GLU 13 -19.829 6.476 5.054 95 2HB GLU 13 HB1 GLU 13 -20.317 4.894 5.661 96 1HG GLU 13 HG2 GLU 13 -21.985 5.954 7.127 97 2HG GLU 13 HG1 GLU 13 -21.488 7.545 6.556 98 H ALA 14 HN ALA 14 -17.483 6.511 5.312 99 HA ALA 14 HA ALA 14 -16.194 3.984 5.183 100 1HB ALA 14 HB1 ALA 14 -16.031 5.507 3.373 101 2HB ALA 14 HB2 ALA 14 -14.400 5.416 4.037 102 3HB ALA 14 HB3 ALA 14 -15.430 6.797 4.414 103 H LEU 15 HN LEU 15 -14.925 6.987 6.708 104 HA LEU 15 HA LEU 15 -12.545 5.847 7.748 105 1HB LEU 15 HB2 LEU 15 -14.302 8.198 8.357 106 2HB LEU 15 HB1 LEU 15 -12.960 7.846 9.441 107 HG LEU 15 HG LEU 15 -12.405 9.466 7.597 108 1HD1 LEU 15 HD11 LEU 15 -10.423 8.640 8.341 109 2HD1 LEU 15 HD12 LEU 15 -10.403 7.802 6.790 110 3HD1 LEU 15 HD13 LEU 15 -10.966 6.966 8.237 111 1HD2 LEU 15 HD21 LEU 15 -12.096 8.630 5.324 112 2HD2 LEU 15 HD22 LEU 15 -13.767 8.357 5.818 113 3HD2 LEU 15 HD23 LEU 15 -12.619 7.018 5.816 114 H TYR 16 HN TYR 16 -15.664 6.350 9.468 115 HA TYR 16 HA TYR 16 -14.849 5.202 11.953 116 1HB TYR 16 HB2 TYR 16 -17.391 5.825 10.526 117 2HB TYR 16 HB1 TYR 16 -17.499 4.752 11.920 118 HD1 TYR 16 HD1 TYR 16 -17.814 5.725 14.000 119 HD2 TYR 16 HD2 TYR 16 -15.783 7.954 10.940 120 HE1 TYR 16 HE1 TYR 16 -17.662 7.675 15.523 121 HE2 TYR 16 HE2 TYR 16 -15.631 9.905 12.465 122 HH TYR 16 HH TYR 16 -16.877 10.773 14.467 123 H LEU 17 HN LEU 17 -16.555 3.690 9.191 124 HA LEU 17 HA LEU 17 -16.825 1.112 10.372 125 1HB LEU 17 HB2 LEU 17 -16.768 2.094 7.537 126 2HB LEU 17 HB1 LEU 17 -17.235 0.456 7.976 127 HG LEU 17 HG LEU 17 -18.556 2.963 9.054 128 1HD1 LEU 17 HD11 LEU 17 -19.696 1.001 7.055 129 2HD1 LEU 17 HD12 LEU 17 -18.867 2.478 6.561 130 3HD1 LEU 17 HD13 LEU 17 -20.343 2.574 7.522 131 1HD2 LEU 17 HD21 LEU 17 -19.050 1.352 10.639 132 2HD2 LEU 17 HD22 LEU 17 -18.871 0.022 9.495 133 3HD2 LEU 17 HD23 LEU 17 -20.332 1.011 9.477 134 H VAL 18 HN VAL 18 -14.275 2.431 8.237 135 HA VAL 18 HA VAL 18 -12.880 -0.081 7.940 136 HB VAL 18 HB VAL 18 -12.030 2.788 7.608 137 1HG1 VAL 18 HG11 VAL 18 -10.644 0.197 7.098 138 2HG1 VAL 18 HG12 VAL 18 -9.965 1.755 7.567 139 3HG1 VAL 18 HG13 VAL 18 -10.448 1.472 5.895 140 1HG2 VAL 18 HG21 VAL 18 -12.745 2.620 5.383 141 2HG2 VAL 18 HG22 VAL 18 -13.988 1.712 6.244 142 3HG2 VAL 18 HG23 VAL 18 -12.694 0.857 5.406 143 H CYS 19 HN CYS 19 -12.143 2.805 9.913 144 HA CYS 19 HA CYS 19 -9.933 1.566 11.305 145 1HB CYS 19 HB2 CYS 19 -11.629 4.007 11.649 146 2HB CYS 19 HB1 CYS 19 -10.394 3.605 12.839 147 H GLY 20 HN GLY 20 -13.359 2.068 12.112 148 1HA GLY 20 HA2 GLY 20 -14.705 1.100 13.760 149 2HA GLY 20 HA1 GLY 20 -13.557 -0.236 13.752 150 H GLU 21 HN GLU 21 -12.303 2.927 14.457 151 HA GLU 21 HA GLU 21 -12.595 2.684 17.355 152 1HB GLU 21 HB2 GLU 21 -10.810 1.045 16.632 153 2HB GLU 21 HB1 GLU 21 -9.873 2.419 16.045 154 1HG GLU 21 HG2 GLU 21 -9.886 3.394 18.319 155 2HG GLU 21 HG1 GLU 21 -10.813 2.015 18.901 156 H ARG 22 HN ARG 22 -11.626 4.590 18.451 157 HA ARG 22 HA ARG 22 -11.358 6.911 16.612 158 1HB ARG 22 HB2 ARG 22 -12.161 6.678 19.526 159 2HB ARG 22 HB1 ARG 22 -12.086 8.195 18.627 160 1HG ARG 22 HG2 ARG 22 -13.737 7.279 17.002 161 2HG ARG 22 HG1 ARG 22 -13.856 5.819 17.983 162 1HD ARG 22 HD2 ARG 22 -14.510 8.629 18.948 163 2HD ARG 22 HD1 ARG 22 -15.696 7.375 18.539 164 HE ARG 22 HE ARG 22 -13.785 7.237 20.826 165 1HH1 ARG 22 HH11 ARG 22 -16.618 7.330 21.502 166 2HH1 ARG 22 HH12 ARG 22 -17.064 5.662 21.628 167 1HH2 ARG 22 HH21 ARG 22 -14.281 4.513 19.908 168 2HH2 ARG 22 HH22 ARG 22 -15.742 4.067 20.725 169 H GLY 23 HN GLY 23 -9.189 5.000 17.467 170 1HA GLY 23 HA2 GLY 23 -7.511 6.308 19.407 171 2HA GLY 23 HA1 GLY 23 -6.997 5.050 18.284 172 H PHE 24 HN PHE 24 -8.068 6.835 16.004 173 HA PHE 24 HA PHE 24 -5.533 8.103 15.430 174 1HB PHE 24 HB2 PHE 24 -6.637 8.735 13.350 175 2HB PHE 24 HB1 PHE 24 -7.083 7.085 13.759 176 HD1 PHE 24 HD1 PHE 24 -8.263 10.564 13.472 177 HD2 PHE 24 HD2 PHE 24 -9.363 6.539 14.501 178 HE1 PHE 24 HE1 PHE 24 -10.662 11.186 13.351 179 HE2 PHE 24 HE2 PHE 24 -11.760 7.167 14.385 180 HZ PHE 24 HZ PHE 24 -12.408 9.489 13.812 181 H PHE 25 HN PHE 25 -4.871 10.001 16.221 182 HA PHE 25 HA PHE 25 -6.615 11.843 17.618 183 1HB PHE 25 HB2 PHE 25 -3.721 11.883 16.722 184 2HB PHE 25 HB1 PHE 25 -4.438 13.156 17.709 185 HD1 PHE 25 HD1 PHE 25 -5.067 12.757 20.032 186 HD2 PHE 25 HD2 PHE 25 -3.432 9.613 17.604 187 HE1 PHE 25 HE1 PHE 25 -4.714 11.373 22.060 188 HE2 PHE 25 HE2 PHE 25 -3.078 8.231 19.632 189 HZ PHE 25 HZ PHE 25 -3.718 9.110 21.860 190 H TYR 26 HN TYR 26 -5.220 11.641 14.392 191 HA TYR 26 HA TYR 26 -5.504 12.975 12.468 192 1HB TYR 26 HB2 TYR 26 -7.949 12.552 13.638 193 2HB TYR 26 HB1 TYR 26 -7.903 14.312 13.575 194 HD1 TYR 26 HD1 TYR 26 -9.388 11.885 11.902 195 HD2 TYR 26 HD2 TYR 26 -6.356 14.827 11.109 196 HE1 TYR 26 HE1 TYR 26 -9.947 11.816 9.487 197 HE2 TYR 26 HE2 TYR 26 -6.916 14.753 8.696 198 HH TYR 26 HH TYR 26 -8.951 14.142 7.302 199 H THR 27 HN THR 27 -3.832 14.028 14.527 200 HA THR 27 HA THR 27 -4.462 16.814 15.019 201 HB THR 27 HB THR 27 -3.135 15.403 16.543 202 HG1 THR 27 HG1 THR 27 -2.436 17.339 16.949 203 1HG2 THR 27 HG21 THR 27 -0.680 15.477 14.938 204 2HG2 THR 27 HG22 THR 27 -1.936 14.459 14.235 205 3HG2 THR 27 HG23 THR 27 -1.369 14.153 15.877 206 HA PRO 28 HA PRO 28 -2.802 17.914 10.974 207 1HB PRO 28 HB2 PRO 28 -3.554 20.536 10.991 208 2HB PRO 28 HB1 PRO 28 -4.688 19.216 10.649 209 1HG PRO 28 HG2 PRO 28 -4.358 20.832 13.102 210 2HG PRO 28 HG1 PRO 28 -5.811 20.085 12.425 211 1HD PRO 28 HD2 PRO 28 -4.313 19.102 14.559 212 2HD PRO 28 HD1 PRO 28 -5.507 18.186 13.616 213 H LYS 29 HN LYS 29 -0.533 17.856 11.411 214 HA LYS 29 HA LYS 29 0.762 19.828 13.109 215 1HB LYS 29 HB2 LYS 29 1.727 17.714 11.165 216 2HB LYS 29 HB1 LYS 29 2.820 18.690 12.145 217 1HG LYS 29 HG2 LYS 29 1.720 17.867 14.195 218 2HG LYS 29 HG1 LYS 29 0.629 16.884 13.217 219 1HD LYS 29 HD2 LYS 29 2.566 15.656 12.292 220 2HD LYS 29 HD1 LYS 29 3.652 16.628 13.284 221 1HE LYS 29 HE2 LYS 29 1.407 15.006 14.513 222 2HE LYS 29 HE1 LYS 29 3.023 14.328 14.241 223 1HZ LYS 29 HZ1 LYS 29 2.462 16.852 15.708 224 2HZ LYS 29 HZ2 LYS 29 3.988 16.142 15.478 225 3HZ LYS 29 HZ3 LYS 29 2.823 15.367 16.441 226 H THR 30 HN THR 30 -0.594 21.415 11.423 227 HA THR 30 HA THR 30 1.461 22.814 9.928 228 HB THR 30 HB THR 30 0.928 21.027 8.349 229 HG1 THR 30 HG1 THR 30 0.660 22.353 6.703 230 1HG2 THR 30 HG21 THR 30 -1.347 20.561 9.338 231 2HG2 THR 30 HG22 THR 30 -1.324 20.610 7.575 232 3HG2 THR 30 HG23 THR 30 -1.943 21.986 8.488 233 H ARG 31 HN ARG 31 -2.018 22.432 10.595 234 HA ARG 31 HA ARG 31 -2.257 25.348 10.971 235 1HB ARG 31 HB2 ARG 31 -3.776 23.683 8.944 236 2HB ARG 31 HB1 ARG 31 -4.302 25.287 9.448 237 1HG ARG 31 HG2 ARG 31 -2.149 26.230 8.677 238 2HG ARG 31 HG1 ARG 31 -1.638 24.627 8.157 239 1HD ARG 31 HD2 ARG 31 -3.712 24.554 6.682 240 2HD ARG 31 HD1 ARG 31 -3.914 26.278 7.041 241 HE ARG 31 HE ARG 31 -2.077 26.717 5.629 242 1HH1 ARG 31 HH21 ARG 31 -2.585 23.399 5.580 243 2HH1 ARG 31 HH22 ARG 31 -0.961 22.978 5.156 244 1HH2 ARG 31 HH11 ARG 31 0.273 26.189 5.568 245 2HH2 ARG 31 HH12 ARG 31 0.651 24.552 5.144 246 H ARG 32 HN ARG 32 -2.932 25.131 13.119 247 HA ARG 32 HA ARG 32 -4.604 23.069 14.140 248 1HB ARG 32 HB2 ARG 32 -4.722 24.526 16.105 249 2HB ARG 32 HB1 ARG 32 -3.089 24.544 15.440 250 1HG ARG 32 HG2 ARG 32 -3.708 26.631 14.176 251 2HG ARG 32 HG1 ARG 32 -5.236 26.633 15.053 252 1HD ARG 32 HD2 ARG 32 -4.010 27.969 16.500 253 2HD ARG 32 HD1 ARG 32 -3.526 26.388 17.144 254 HE ARG 32 HE ARG 32 -1.907 28.043 15.270 255 1HH1 ARG 32 HH21 ARG 32 -1.140 27.068 18.095 256 2HH1 ARG 32 HH22 ARG 32 -0.010 25.815 17.698 257 1HH2 ARG 32 HH11 ARG 32 -0.963 25.645 14.369 258 2HH2 ARG 32 HH12 ARG 32 0.092 25.013 15.588 259 H TYR 33 HN TYR 33 -5.397 26.304 12.887 260 HA TYR 33 HA TYR 33 -8.165 25.437 12.350 261 1HB TYR 33 HB2 TYR 33 -7.374 26.880 14.727 262 2HB TYR 33 HB1 TYR 33 -8.427 27.891 13.744 263 HD1 TYR 33 HD1 TYR 33 -10.446 26.422 12.602 264 HD2 TYR 33 HD2 TYR 33 -8.460 25.575 16.315 265 HE1 TYR 33 HE1 TYR 33 -12.412 25.112 13.355 266 HE2 TYR 33 HE2 TYR 33 -10.426 24.265 17.068 267 HH TYR 33 HH TYR 33 -12.939 24.242 16.513 268 HA PRO 34 HA PRO 34 -6.691 28.415 9.257 269 1HB PRO 34 HB2 PRO 34 -8.208 27.476 7.181 270 2HB PRO 34 HB1 PRO 34 -6.649 26.772 7.650 271 1HG PRO 34 HG2 PRO 34 -9.391 25.776 8.142 272 2HG PRO 34 HG1 PRO 34 -7.884 24.885 7.909 273 1HD PRO 34 HD2 PRO 34 -9.124 25.345 10.352 274 2HD PRO 34 HD1 PRO 34 -7.433 24.853 10.125 275 H GLY 35 HN GLY 35 -10.044 27.567 8.406 276 1HA GLY 35 HA2 GLY 35 -10.896 30.282 9.308 277 2HA GLY 35 HA1 GLY 35 -11.337 29.684 7.711 278 H ASP 36 HN ASP 36 -11.282 27.847 10.757 279 HA ASP 36 HA ASP 36 -12.987 26.580 11.803 280 1HB ASP 36 HB2 ASP 36 -14.458 29.071 10.885 281 2HB ASP 36 HB1 ASP 36 -15.085 27.930 12.075 282 H VAL 37 HN VAL 37 -15.476 25.917 11.389 283 HA VAL 37 HA VAL 37 -16.825 24.474 10.106 284 HB VAL 37 HB VAL 37 -16.243 26.759 8.196 285 1HG1 VAL 37 HG11 VAL 37 -18.608 24.861 8.286 286 2HG1 VAL 37 HG12 VAL 37 -17.298 24.764 7.113 287 3HG1 VAL 37 HG13 VAL 37 -18.360 26.172 7.133 288 1HG2 VAL 37 HG21 VAL 37 -17.164 27.794 10.060 289 2HG2 VAL 37 HG22 VAL 37 -18.063 26.356 10.542 290 3HG2 VAL 37 HG23 VAL 37 -18.633 27.342 9.196 291 H LYS 38 HN LYS 38 -15.165 25.506 7.141 292 HA LYS 38 HA LYS 38 -14.553 22.713 6.490 293 1HB LYS 38 HB2 LYS 38 -14.090 25.396 5.145 294 2HB LYS 38 HB1 LYS 38 -13.680 23.852 4.396 295 1HG LYS 38 HG2 LYS 38 -16.033 23.130 4.589 296 2HG LYS 38 HG1 LYS 38 -16.445 24.673 5.334 297 1HD LYS 38 HD2 LYS 38 -15.709 25.858 3.299 298 2HD LYS 38 HD1 LYS 38 -15.298 24.316 2.549 299 1HE LYS 38 HE2 LYS 38 -17.551 23.667 2.348 300 2HE LYS 38 HE1 LYS 38 -18.084 24.791 3.613 301 1HZ LYS 38 HZ1 LYS 38 -18.600 25.706 1.451 302 2HZ LYS 38 HZ2 LYS 38 -16.985 25.533 0.951 303 3HZ LYS 38 HZ3 LYS 38 -17.384 26.637 2.180 304 H ARG 39 HN ARG 39 -12.728 21.782 7.305 305 HA ARG 39 HA ARG 39 -10.532 23.283 8.415 306 1HB ARG 39 HB2 ARG 39 -11.015 20.372 7.756 307 2HB ARG 39 HB1 ARG 39 -9.556 20.935 8.573 308 1HG ARG 39 HG2 ARG 39 -10.978 21.970 10.338 309 2HG ARG 39 HG1 ARG 39 -12.406 21.310 9.542 310 1HD ARG 39 HD2 ARG 39 -10.113 19.528 10.399 311 2HD ARG 39 HD1 ARG 39 -11.454 19.921 11.490 312 HE ARG 39 HE ARG 39 -12.567 19.133 8.990 313 1HH1 ARG 39 HH21 ARG 39 -12.373 18.080 12.075 314 2HH1 ARG 39 HH22 ARG 39 -12.277 16.386 11.726 315 1HH2 ARG 39 HH11 ARG 39 -11.747 16.846 8.330 316 2HH2 ARG 39 HH12 ARG 39 -11.923 15.688 9.605 317 H GLY 40 HN GLY 40 -11.016 21.502 5.393 318 1HA GLY 40 HA2 GLY 40 -9.886 22.392 3.351 319 2HA GLY 40 HA1 GLY 40 -8.473 22.704 4.366 320 H ILE 41 HN ILE 41 -8.507 20.304 5.865 321 HA ILE 41 HA ILE 41 -7.115 18.500 4.094 322 HB ILE 41 HB ILE 41 -8.300 18.168 6.875 323 1HG1 ILE 41 HG12 ILE 41 -5.448 18.763 6.042 324 2HG1 ILE 41 HG11 ILE 41 -6.602 20.012 6.507 325 1HG2 ILE 41 HG21 ILE 41 -7.837 15.968 6.320 326 2HG2 ILE 41 HG22 ILE 41 -6.248 16.472 6.896 327 3HG2 ILE 41 HG23 ILE 41 -6.581 16.413 5.165 328 1HD1 ILE 41 HD11 ILE 41 -5.280 17.931 8.192 329 2HD1 ILE 41 HD12 ILE 41 -6.925 18.406 8.616 330 3HD1 ILE 41 HD13 ILE 41 -5.643 19.616 8.567 331 H VAL 42 HN VAL 42 -10.379 18.556 5.489 332 HA VAL 42 HA VAL 42 -11.271 16.016 4.504 333 HB VAL 42 HB VAL 42 -12.353 17.392 6.273 334 1HG1 VAL 42 HG11 VAL 42 -11.987 19.554 4.863 335 2HG1 VAL 42 HG12 VAL 42 -13.447 19.420 5.842 336 3HG1 VAL 42 HG13 VAL 42 -13.521 19.124 4.105 337 1HG2 VAL 42 HG21 VAL 42 -14.419 16.524 5.826 338 2HG2 VAL 42 HG22 VAL 42 -13.570 15.761 4.482 339 3HG2 VAL 42 HG23 VAL 42 -14.489 17.243 4.218 340 H GLU 43 HN GLU 43 -11.176 19.249 3.077 341 HA GLU 43 HA GLU 43 -12.666 18.674 0.688 342 1HB GLU 43 HB2 GLU 43 -10.555 20.705 1.449 343 2HB GLU 43 HB1 GLU 43 -11.389 20.741 -0.105 344 1HG GLU 43 HG2 GLU 43 -13.556 20.910 1.044 345 2HG GLU 43 HG1 GLU 43 -12.744 20.841 2.607 346 H GLN 44 HN GLN 44 -9.499 17.734 1.700 347 HA GLN 44 HA GLN 44 -8.045 17.680 -0.739 348 1HB GLN 44 HB2 GLN 44 -7.134 17.323 1.532 349 2HB GLN 44 HB1 GLN 44 -8.008 15.797 1.644 350 1HG GLN 44 HG2 GLN 44 -6.736 14.917 -0.274 351 2HG GLN 44 HG1 GLN 44 -5.858 16.443 -0.394 352 1HE2 GLN 44 HE21 GLN 44 -3.790 16.091 0.435 353 2HE2 GLN 44 HE22 GLN 44 -3.450 15.261 1.876 354 H CYS 45 HN CYS 45 -10.142 15.143 0.706 355 HA CYS 45 HA CYS 45 -9.808 13.399 -1.638 356 1HB CYS 45 HB2 CYS 45 -11.587 13.275 0.817 357 2HB CYS 45 HB1 CYS 45 -11.378 11.962 -0.339 358 H CYS 46 HN CYS 46 -11.944 15.967 -0.720 359 HA CYS 46 HA CYS 46 -14.363 15.195 -2.016 360 1HB CYS 46 HB2 CYS 46 -13.028 17.636 -1.026 361 2HB CYS 46 HB1 CYS 46 -14.217 17.924 -2.292 362 H THR 47 HN THR 47 -11.627 17.134 -3.295 363 HA THR 47 HA THR 47 -12.744 17.245 -5.986 364 HB THR 47 HB THR 47 -10.387 18.178 -6.412 365 HG1 THR 47 HG1 THR 47 -9.146 17.394 -4.859 366 1HG2 THR 47 HG21 THR 47 -12.217 19.304 -4.284 367 2HG2 THR 47 HG22 THR 47 -12.185 19.705 -6.001 368 3HG2 THR 47 HG23 THR 47 -10.857 20.205 -4.953 369 H SER 48 HN SER 48 -10.172 15.328 -4.410 370 HA SER 48 HA SER 48 -10.127 13.566 -6.844 371 1HB SER 48 HB2 SER 48 -7.935 14.590 -5.033 372 2HB SER 48 HB1 SER 48 -7.690 13.211 -6.101 373 HG SER 48 HG SER 48 -7.462 15.718 -6.728 374 H ILE 49 HN ILE 49 -9.751 11.290 -6.401 375 HA ILE 49 HA ILE 49 -10.962 10.376 -3.888 376 HB ILE 49 HB ILE 49 -9.734 8.879 -6.234 377 1HG1 ILE 49 HG12 ILE 49 -12.654 9.519 -5.714 378 2HG1 ILE 49 HG11 ILE 49 -11.630 10.478 -6.784 379 1HG2 ILE 49 HG21 ILE 49 -10.121 7.639 -4.025 380 2HG2 ILE 49 HG22 ILE 49 -10.923 6.964 -5.444 381 3HG2 ILE 49 HG23 ILE 49 -11.841 7.925 -4.285 382 1HD1 ILE 49 HD11 ILE 49 -12.438 9.008 -8.352 383 2HD1 ILE 49 HD12 ILE 49 -12.720 7.734 -7.165 384 3HD1 ILE 49 HD13 ILE 49 -11.090 8.032 -7.769 385 H CYS 50 HN CYS 50 -9.764 9.954 -2.073 386 HA CYS 50 HA CYS 50 -6.831 9.888 -2.179 387 1HB CYS 50 HB2 CYS 50 -8.878 9.559 0.040 388 2HB CYS 50 HB1 CYS 50 -7.140 9.700 0.303 389 H SER 51 HN SER 51 -5.532 8.062 -1.705 390 HA SER 51 HA SER 51 -6.699 5.463 -2.380 391 1HB SER 51 HB2 SER 51 -4.370 4.783 -2.399 392 2HB SER 51 HB1 SER 51 -4.488 6.372 -3.147 393 HG SER 51 HG SER 51 -2.917 6.672 -1.709 394 H LEU 52 HN LEU 52 -6.500 3.566 -1.053 395 HA LEU 52 HA LEU 52 -7.349 3.799 1.645 396 1HB LEU 52 HB2 LEU 52 -7.714 1.850 0.176 397 2HB LEU 52 HB1 LEU 52 -5.982 1.521 0.174 398 HG LEU 52 HG LEU 52 -6.067 1.225 2.649 399 1HD1 LEU 52 HD11 LEU 52 -8.658 0.758 3.304 400 2HD1 LEU 52 HD12 LEU 52 -8.870 2.070 2.145 401 3HD1 LEU 52 HD13 LEU 52 -7.861 2.308 3.571 402 1HD2 LEU 52 HD21 LEU 52 -8.073 -0.510 1.174 403 2HD2 LEU 52 HD22 LEU 52 -7.133 -0.964 2.595 404 3HD2 LEU 52 HD23 LEU 52 -6.323 -0.694 1.052 405 H TYR 53 HN TYR 53 -4.115 3.250 0.263 406 HA TYR 53 HA TYR 53 -2.648 2.667 2.599 407 1HB TYR 53 HB2 TYR 53 -1.881 2.594 0.225 408 2HB TYR 53 HB1 TYR 53 -1.817 4.350 0.243 409 HD1 TYR 53 HD1 TYR 53 -0.080 5.551 1.466 410 HD2 TYR 53 HD2 TYR 53 -0.300 1.262 1.556 411 HE1 TYR 53 HE1 TYR 53 2.197 5.452 2.444 412 HE2 TYR 53 HE2 TYR 53 1.976 1.165 2.537 413 HH TYR 53 HH TYR 53 3.420 2.968 4.011 414 H GLN 54 HN GLN 54 -3.600 5.831 1.276 415 HA GLN 54 HA GLN 54 -2.183 7.422 3.233 416 1HB GLN 54 HB2 GLN 54 -4.575 7.896 1.428 417 2HB GLN 54 HB1 GLN 54 -3.837 9.171 2.398 418 1HG GLN 54 HG2 GLN 54 -1.723 8.913 1.258 419 2HG GLN 54 HG1 GLN 54 -2.301 7.476 0.412 420 1HE2 GLN 54 HE21 GLN 54 -1.346 9.874 -0.942 421 2HE2 GLN 54 HE22 GLN 54 -2.656 10.526 -1.802 422 H LEU 55 HN LEU 55 -5.503 6.107 3.045 423 HA LEU 55 HA LEU 55 -6.555 7.356 5.399 424 1HB LEU 55 HB2 LEU 55 -7.145 4.675 4.092 425 2HB LEU 55 HB1 LEU 55 -8.191 5.472 5.265 426 HG LEU 55 HG LEU 55 -7.381 6.625 2.578 427 1HD1 LEU 55 HD11 LEU 55 -9.575 6.093 1.823 428 2HD1 LEU 55 HD12 LEU 55 -10.128 5.715 3.455 429 3HD1 LEU 55 HD13 LEU 55 -9.005 4.633 2.631 430 1HD2 LEU 55 HD21 LEU 55 -7.862 8.544 3.750 431 2HD2 LEU 55 HD22 LEU 55 -8.815 7.688 4.962 432 3HD2 LEU 55 HD23 LEU 55 -9.522 8.069 3.392 433 H GLU 56 HN GLU 56 -4.831 4.300 4.890 434 HA GLU 56 HA GLU 56 -4.970 3.257 7.540 435 1HB GLU 56 HB2 GLU 56 -3.009 3.010 5.249 436 2HB GLU 56 HB1 GLU 56 -2.822 2.081 6.738 437 1HG GLU 56 HG2 GLU 56 -5.085 1.139 6.439 438 2HG GLU 56 HG1 GLU 56 -5.275 2.063 4.950 439 H ASN 57 HN ASN 57 -2.649 5.491 6.018 440 HA ASN 57 HA ASN 57 -0.765 5.647 8.163 441 1HB ASN 57 HB2 ASN 57 -1.658 7.589 6.018 442 2HB ASN 57 HB1 ASN 57 -0.272 7.889 7.064 443 1HD2 ASN 57 HD21 ASN 57 -0.021 7.592 4.214 444 2HD2 ASN 57 HD22 ASN 57 0.873 6.183 3.916 445 H TYR 58 HN TYR 58 -3.697 7.558 7.482 446 HA TYR 58 HA TYR 58 -3.389 9.409 9.664 447 1HB TYR 58 HB2 TYR 58 -5.765 8.421 8.068 448 2HB TYR 58 HB1 TYR 58 -5.843 9.763 9.206 449 HD1 TYR 58 HD1 TYR 58 -5.781 9.225 5.876 450 HD2 TYR 58 HD2 TYR 58 -3.437 11.275 8.837 451 HE1 TYR 58 HE1 TYR 58 -4.902 10.749 4.127 452 HE2 TYR 58 HE2 TYR 58 -2.560 12.798 7.089 453 HH TYR 58 HH TYR 58 -3.040 13.582 4.914 454 H CYS 59 HN CYS 59 -4.900 6.221 9.420 455 HA CYS 59 HA CYS 59 -6.033 6.404 12.141 456 1HB CYS 59 HB2 CYS 59 -6.865 5.238 9.879 457 2HB CYS 59 HB1 CYS 59 -5.941 3.886 10.534 458 H ASN 60 HN ASN 60 -2.959 5.798 10.978 459 HA ASN 60 HA ASN 60 -2.197 3.421 12.430 460 1HB ASN 60 HB2 ASN 60 -0.832 5.781 11.168 461 2HB ASN 60 HB1 ASN 60 0.115 4.685 12.172 462 1HD2 ASN 60 HD21 ASN 60 0.809 4.744 9.504 463 2HD2 ASN 60 HD22 ASN 60 0.271 3.344 8.710 Start of MODEL 20 1 1H PHE 1 HT1 PHE 1 -18.976 -3.737 -7.604 2 2H PHE 1 HT2 PHE 1 -17.739 -3.909 -6.451 3 3H PHE 1 HT3 PHE 1 -17.529 -4.515 -8.024 4 HA PHE 1 HA PHE 1 -16.303 -2.427 -7.716 5 1HB PHE 1 HB2 PHE 1 -17.385 -3.275 -9.861 6 2HB PHE 1 HB1 PHE 1 -18.725 -2.179 -9.525 7 HD1 PHE 1 HD1 PHE 1 -15.175 -2.427 -10.458 8 HD2 PHE 1 HD2 PHE 1 -18.434 0.250 -9.643 9 HE1 PHE 1 HE1 PHE 1 -13.888 -0.558 -11.458 10 HE2 PHE 1 HE2 PHE 1 -17.147 2.119 -10.644 11 HZ PHE 1 HZ PHE 1 -14.874 1.715 -11.551 12 H VAL 2 HN VAL 2 -16.318 -0.507 -6.577 13 HA VAL 2 HA VAL 2 -18.928 0.719 -5.896 14 HB VAL 2 HB VAL 2 -17.941 1.159 -3.671 15 1HG1 VAL 2 HG11 VAL 2 -18.120 -1.076 -2.828 16 2HG1 VAL 2 HG12 VAL 2 -17.616 -1.763 -4.371 17 3HG1 VAL 2 HG13 VAL 2 -19.192 -0.986 -4.226 18 1HG2 VAL 2 HG21 VAL 2 -15.733 -0.652 -3.702 19 2HG2 VAL 2 HG22 VAL 2 -15.703 1.084 -3.403 20 3HG2 VAL 2 HG23 VAL 2 -15.512 0.472 -5.044 21 H ASN 3 HN ASN 3 -18.772 3.037 -5.443 22 HA ASN 3 HA ASN 3 -16.313 4.486 -6.166 23 1HB ASN 3 HB2 ASN 3 -17.325 3.854 -8.338 24 2HB ASN 3 HB1 ASN 3 -18.850 4.585 -7.840 25 1HD2 ASN 3 HD21 ASN 3 -18.563 6.047 -9.770 26 2HD2 ASN 3 HD22 ASN 3 -17.542 7.396 -9.637 27 H GLN 4 HN GLN 4 -16.583 5.431 -4.065 28 HA GLN 4 HA GLN 4 -18.701 7.521 -3.931 29 1HB GLN 4 HB2 GLN 4 -18.172 5.490 -1.742 30 2HB GLN 4 HB1 GLN 4 -19.395 6.750 -1.718 31 1HG GLN 4 HG2 GLN 4 -20.476 5.685 -3.711 32 2HG GLN 4 HG1 GLN 4 -19.305 4.367 -3.598 33 1HE2 GLN 4 HE21 GLN 4 -22.425 5.031 -2.784 34 2HE2 GLN 4 HE22 GLN 4 -22.572 4.089 -1.380 35 H HIS 5 HN HIS 5 -18.199 9.138 -2.317 36 HA HIS 5 HA HIS 5 -15.325 9.617 -1.995 37 1HB HIS 5 HB2 HIS 5 -17.841 11.104 -1.183 38 2HB HIS 5 HB1 HIS 5 -16.211 11.756 -1.018 39 HD1 HIS 5 HD1 HIS 5 -14.862 12.172 -3.259 40 HD2 HIS 5 HD2 HIS 5 -18.872 11.169 -3.801 41 HE1 HIS 5 HE1 HIS 5 -15.425 12.742 -5.662 42 H LEU 6 HN LEU 6 -14.317 10.002 0.094 43 HA LEU 6 HA LEU 6 -15.453 8.349 2.275 44 1HB LEU 6 HB2 LEU 6 -12.753 9.272 1.382 45 2HB LEU 6 HB1 LEU 6 -12.971 8.831 3.074 46 HG LEU 6 HG LEU 6 -14.159 6.916 1.168 47 1HD1 LEU 6 HD11 LEU 6 -12.335 7.045 -0.232 48 2HD1 LEU 6 HD12 LEU 6 -11.648 5.978 0.993 49 3HD1 LEU 6 HD13 LEU 6 -11.287 7.704 1.023 50 1HD2 LEU 6 HD21 LEU 6 -12.086 6.211 3.193 51 2HD2 LEU 6 HD22 LEU 6 -13.616 5.414 2.827 52 3HD2 LEU 6 HD23 LEU 6 -13.599 6.889 3.793 53 H CYS 7 HN CYS 7 -16.032 11.329 1.512 54 HA CYS 7 HA CYS 7 -15.255 12.641 4.076 55 1HB CYS 7 HB2 CYS 7 -15.832 14.710 2.844 56 2HB CYS 7 HB1 CYS 7 -14.682 13.737 1.934 57 H GLY 8 HN GLY 8 -17.319 14.549 4.152 58 1HA GLY 8 HA2 GLY 8 -19.453 14.842 5.074 59 2HA GLY 8 HA1 GLY 8 -19.971 13.718 3.814 60 H SER 9 HN SER 9 -21.512 12.682 5.241 61 HA SER 9 HA SER 9 -20.792 11.637 7.849 62 1HB SER 9 HB2 SER 9 -22.979 10.549 7.668 63 2HB SER 9 HB1 SER 9 -23.093 12.189 7.037 64 HG SER 9 HG SER 9 -23.052 11.390 4.980 65 H HIS 10 HN HIS 10 -20.492 10.430 4.570 66 HA HIS 10 HA HIS 10 -20.226 7.625 5.112 67 1HB HIS 10 HB2 HIS 10 -20.461 8.977 2.898 68 2HB HIS 10 HB1 HIS 10 -18.710 9.157 2.993 69 HD1 HIS 10 HD1 HIS 10 -21.390 6.502 2.700 70 HD2 HIS 10 HD2 HIS 10 -17.251 6.845 2.340 71 HE1 HIS 10 HE1 HIS 10 -20.570 4.307 1.739 72 H LEU 11 HN LEU 11 -18.043 10.351 5.481 73 HA LEU 11 HA LEU 11 -15.521 9.028 5.589 74 1HB LEU 11 HB2 LEU 11 -15.870 11.463 5.494 75 2HB LEU 11 HB1 LEU 11 -16.626 11.439 7.080 76 HG LEU 11 HG LEU 11 -13.979 10.175 7.094 77 1HD1 LEU 11 HD11 LEU 11 -13.986 13.162 6.671 78 2HD1 LEU 11 HD12 LEU 11 -13.806 12.055 5.310 79 3HD1 LEU 11 HD13 LEU 11 -12.622 12.045 6.616 80 1HD2 LEU 11 HD21 LEU 11 -13.762 12.041 8.920 81 2HD2 LEU 11 HD22 LEU 11 -14.891 10.714 9.193 82 3HD2 LEU 11 HD23 LEU 11 -15.487 12.278 8.637 83 H VAL 12 HN VAL 12 -17.782 9.847 8.254 84 HA VAL 12 HA VAL 12 -16.270 8.585 10.345 85 HB VAL 12 HB VAL 12 -19.223 9.223 9.991 86 1HG1 VAL 12 HG11 VAL 12 -17.652 8.447 12.469 87 2HG1 VAL 12 HG12 VAL 12 -19.033 7.596 11.776 88 3HG1 VAL 12 HG13 VAL 12 -19.255 9.181 12.516 89 1HG2 VAL 12 HG21 VAL 12 -18.501 11.129 11.574 90 2HG2 VAL 12 HG22 VAL 12 -17.982 11.239 9.892 91 3HG2 VAL 12 HG23 VAL 12 -16.848 10.701 11.131 92 H GLU 13 HN GLU 13 -19.095 7.473 8.486 93 HA GLU 13 HA GLU 13 -19.313 4.872 9.596 94 1HB GLU 13 HB2 GLU 13 -21.010 6.021 8.216 95 2HB GLU 13 HB1 GLU 13 -19.947 5.907 6.814 96 1HG GLU 13 HG2 GLU 13 -21.615 4.115 6.740 97 2HG GLU 13 HG1 GLU 13 -20.012 3.432 6.989 98 H ALA 14 HN ALA 14 -17.648 5.933 6.634 99 HA ALA 14 HA ALA 14 -16.613 3.411 5.842 100 1HB ALA 14 HB1 ALA 14 -16.796 5.516 4.498 101 2HB ALA 14 HB2 ALA 14 -15.208 4.756 4.381 102 3HB ALA 14 HB3 ALA 14 -15.436 6.168 5.412 103 H LEU 15 HN LEU 15 -14.982 6.021 7.692 104 HA LEU 15 HA LEU 15 -12.466 4.740 7.977 105 1HB LEU 15 HB2 LEU 15 -14.007 6.766 9.599 106 2HB LEU 15 HB1 LEU 15 -12.365 6.292 10.035 107 HG LEU 15 HG LEU 15 -13.124 7.281 7.274 108 1HD1 LEU 15 HD11 LEU 15 -12.104 9.428 7.968 109 2HD1 LEU 15 HD12 LEU 15 -11.915 8.802 9.606 110 3HD1 LEU 15 HD13 LEU 15 -13.528 9.055 8.939 111 1HD2 LEU 15 HD21 LEU 15 -11.088 6.108 7.115 112 2HD2 LEU 15 HD22 LEU 15 -10.570 6.607 8.725 113 3HD2 LEU 15 HD23 LEU 15 -10.553 7.766 7.396 114 H TYR 16 HN TYR 16 -15.245 4.679 10.255 115 HA TYR 16 HA TYR 16 -13.958 3.036 12.217 116 1HB TYR 16 HB2 TYR 16 -16.766 3.790 11.482 117 2HB TYR 16 HB1 TYR 16 -16.506 2.550 12.710 118 HD1 TYR 16 HD1 TYR 16 -16.371 3.271 14.913 119 HD2 TYR 16 HD2 TYR 16 -15.090 5.912 11.777 120 HE1 TYR 16 HE1 TYR 16 -15.864 5.022 16.594 121 HE2 TYR 16 HE2 TYR 16 -14.584 7.662 13.455 122 HH TYR 16 HH TYR 16 -14.759 7.021 16.917 123 H LEU 17 HN LEU 17 -16.026 2.148 9.431 124 HA LEU 17 HA LEU 17 -16.106 -0.655 10.034 125 1HB LEU 17 HB2 LEU 17 -16.534 0.977 7.556 126 2HB LEU 17 HB1 LEU 17 -16.835 -0.754 7.608 127 HG LEU 17 HG LEU 17 -18.110 1.268 9.472 128 1HD1 LEU 17 HD11 LEU 17 -20.182 0.495 8.075 129 2HD1 LEU 17 HD12 LEU 17 -18.981 0.052 6.862 130 3HD1 LEU 17 HD13 LEU 17 -19.110 1.724 7.405 131 1HD2 LEU 17 HD21 LEU 17 -18.383 -0.668 10.662 132 2HD2 LEU 17 HD22 LEU 17 -18.084 -1.692 9.257 133 3HD2 LEU 17 HD23 LEU 17 -19.674 -0.967 9.498 134 H VAL 18 HN VAL 18 -13.999 1.281 7.911 135 HA VAL 18 HA VAL 18 -12.551 -1.019 6.892 136 HB VAL 18 HB VAL 18 -12.079 1.953 6.859 137 1HG1 VAL 18 HG11 VAL 18 -10.729 -0.152 5.151 138 2HG1 VAL 18 HG12 VAL 18 -9.963 0.622 6.538 139 3HG1 VAL 18 HG13 VAL 18 -10.418 1.584 5.132 140 1HG2 VAL 18 HG21 VAL 18 -13.464 -0.031 5.098 141 2HG2 VAL 18 HG22 VAL 18 -12.693 1.367 4.349 142 3HG2 VAL 18 HG23 VAL 18 -13.964 1.598 5.546 143 H CYS 19 HN CYS 19 -11.466 1.683 8.971 144 HA CYS 19 HA CYS 19 -9.036 0.336 9.771 145 1HB CYS 19 HB2 CYS 19 -10.555 2.768 10.602 146 2HB CYS 19 HB1 CYS 19 -9.143 2.262 11.521 147 H GLY 20 HN GLY 20 -12.194 0.781 11.356 148 1HA GLY 20 HA2 GLY 20 -13.188 -0.570 13.012 149 2HA GLY 20 HA1 GLY 20 -11.747 -1.578 12.991 150 H GLU 21 HN GLU 21 -10.921 1.710 13.356 151 HA GLU 21 HA GLU 21 -10.325 1.261 16.213 152 1HB GLU 21 HB2 GLU 21 -9.419 3.231 14.107 153 2HB GLU 21 HB1 GLU 21 -8.917 3.346 15.793 154 1HG GLU 21 HG2 GLU 21 -7.977 1.067 15.672 155 2HG GLU 21 HG1 GLU 21 -8.474 0.950 13.985 156 H ARG 22 HN ARG 22 -11.741 2.103 17.691 157 HA ARG 22 HA ARG 22 -13.740 4.083 16.927 158 1HB ARG 22 HB2 ARG 22 -13.008 2.637 19.481 159 2HB ARG 22 HB1 ARG 22 -14.357 3.767 19.376 160 1HG ARG 22 HG2 ARG 22 -15.359 2.402 17.576 161 2HG ARG 22 HG1 ARG 22 -14.015 1.265 17.698 162 1HD ARG 22 HD2 ARG 22 -14.618 0.790 20.052 163 2HD ARG 22 HD1 ARG 22 -15.978 1.924 19.926 164 HE ARG 22 HE ARG 22 -16.925 0.450 18.161 165 1HH1 ARG 22 HH11 ARG 22 -16.955 -1.255 20.562 166 2HH1 ARG 22 HH12 ARG 22 -16.135 -2.687 20.036 167 1HH2 ARG 22 HH21 ARG 22 -14.720 -1.173 17.255 168 2HH2 ARG 22 HH22 ARG 22 -14.869 -2.641 18.163 169 H GLY 23 HN GLY 23 -10.548 4.208 18.286 170 1HA GLY 23 HA2 GLY 23 -11.083 6.963 19.317 171 2HA GLY 23 HA1 GLY 23 -9.799 5.920 19.919 172 H PHE 24 HN PHE 24 -10.850 7.729 17.040 173 HA PHE 24 HA PHE 24 -8.225 7.533 15.741 174 1HB PHE 24 HB2 PHE 24 -10.905 8.738 15.253 175 2HB PHE 24 HB1 PHE 24 -9.541 9.505 14.443 176 HD1 PHE 24 HD1 PHE 24 -8.032 8.129 12.976 177 HD2 PHE 24 HD2 PHE 24 -11.734 6.611 14.538 178 HE1 PHE 24 HE1 PHE 24 -8.007 6.324 11.276 179 HE2 PHE 24 HE2 PHE 24 -11.709 4.804 12.838 180 HZ PHE 24 HZ PHE 24 -9.846 4.661 11.208 181 H PHE 25 HN PHE 25 -6.541 9.015 15.997 182 HA PHE 25 HA PHE 25 -6.711 11.050 18.056 183 1HB PHE 25 HB2 PHE 25 -4.616 10.436 15.939 184 2HB PHE 25 HB1 PHE 25 -4.359 11.449 17.359 185 HD1 PHE 25 HD1 PHE 25 -4.720 8.031 16.107 186 HD2 PHE 25 HD2 PHE 25 -4.345 10.455 19.634 187 HE1 PHE 25 HE1 PHE 25 -4.174 6.011 17.436 188 HE2 PHE 25 HE2 PHE 25 -3.799 8.433 20.964 189 HZ PHE 25 HZ PHE 25 -3.714 6.211 19.864 190 H TYR 26 HN TYR 26 -5.944 11.188 14.583 191 HA TYR 26 HA TYR 26 -6.149 12.933 13.017 192 1HB TYR 26 HB2 TYR 26 -8.689 12.301 14.346 193 2HB TYR 26 HB1 TYR 26 -8.698 13.880 13.565 194 HD1 TYR 26 HD1 TYR 26 -7.033 13.566 11.215 195 HD2 TYR 26 HD2 TYR 26 -9.794 10.775 12.959 196 HE1 TYR 26 HE1 TYR 26 -7.317 12.470 9.011 197 HE2 TYR 26 HE2 TYR 26 -10.074 9.677 10.755 198 HH TYR 26 HH TYR 26 -9.809 10.341 8.325 199 H THR 27 HN THR 27 -4.764 13.880 15.345 200 HA THR 27 HA THR 27 -5.910 16.378 16.261 201 HB THR 27 HB THR 27 -4.269 15.094 17.558 202 HG1 THR 27 HG1 THR 27 -4.307 17.444 17.634 203 1HG2 THR 27 HG21 THR 27 -2.982 14.792 15.079 204 2HG2 THR 27 HG22 THR 27 -2.409 14.215 16.644 205 3HG2 THR 27 HG23 THR 27 -1.893 15.791 16.043 206 HA PRO 28 HA PRO 28 -4.527 18.338 12.437 207 1HB PRO 28 HB2 PRO 28 -6.354 20.364 12.446 208 2HB PRO 28 HB1 PRO 28 -6.744 18.716 11.922 209 1HG PRO 28 HG2 PRO 28 -7.562 20.136 14.337 210 2HG PRO 28 HG1 PRO 28 -8.252 18.690 13.592 211 1HD PRO 28 HD2 PRO 28 -6.484 18.866 15.857 212 2HD PRO 28 HD1 PRO 28 -7.247 17.423 15.160 213 H LYS 29 HN LYS 29 -4.298 20.913 11.972 214 HA LYS 29 HA LYS 29 -2.262 21.880 13.760 215 1HB LYS 29 HB2 LYS 29 -2.374 22.269 11.307 216 2HB LYS 29 HB1 LYS 29 -3.808 23.266 11.550 217 1HG LYS 29 HG2 LYS 29 -2.605 24.950 12.664 218 2HG LYS 29 HG1 LYS 29 -1.256 23.873 13.028 219 1HD LYS 29 HD2 LYS 29 -1.981 24.503 10.174 220 2HD LYS 29 HD1 LYS 29 -0.964 25.603 11.105 221 1HE LYS 29 HE2 LYS 29 0.712 23.921 11.446 222 2HE LYS 29 HE1 LYS 29 -0.362 22.641 10.849 223 1HZ LYS 29 HZ1 LYS 29 1.270 23.550 9.179 224 2HZ LYS 29 HZ2 LYS 29 0.385 24.999 9.213 225 3HZ LYS 29 HZ3 LYS 29 -0.355 23.560 8.694 226 H THR 30 HN THR 30 -5.708 22.506 13.385 227 HA THR 30 HA THR 30 -7.223 23.766 14.676 228 HB THR 30 HB THR 30 -5.007 23.432 16.725 229 HG1 THR 30 HG1 THR 30 -5.634 21.433 16.881 230 1HG2 THR 30 HG21 THR 30 -6.961 23.442 18.314 231 2HG2 THR 30 HG22 THR 30 -7.985 23.926 16.962 232 3HG2 THR 30 HG23 THR 30 -6.686 24.986 17.507 233 H ARG 31 HN ARG 31 -6.226 25.506 13.028 234 HA ARG 31 HA ARG 31 -5.660 27.909 14.638 235 1HB ARG 31 HB2 ARG 31 -3.870 26.765 12.480 236 2HB ARG 31 HB1 ARG 31 -3.735 28.428 13.047 237 1HG ARG 31 HG2 ARG 31 -3.373 27.576 15.363 238 2HG ARG 31 HG1 ARG 31 -3.414 25.928 14.736 239 1HD ARG 31 HD2 ARG 31 -1.513 26.534 13.194 240 2HD ARG 31 HD1 ARG 31 -1.393 28.081 14.054 241 HE ARG 31 HE ARG 31 -1.336 25.567 15.648 242 1HH1 ARG 31 HH11 ARG 31 0.822 27.387 13.863 243 2HH1 ARG 31 HH12 ARG 31 1.882 27.763 15.181 244 1HH2 ARG 31 HH21 ARG 31 -0.244 26.483 17.604 245 2HH2 ARG 31 HH22 ARG 31 1.278 27.250 17.298 246 H ARG 32 HN ARG 32 -6.277 29.844 13.530 247 HA ARG 32 HA ARG 32 -8.203 29.474 11.372 248 1HB ARG 32 HB2 ARG 32 -8.763 31.779 11.864 249 2HB ARG 32 HB1 ARG 32 -8.507 30.933 13.388 250 1HG ARG 32 HG2 ARG 32 -6.201 31.814 13.493 251 2HG ARG 32 HG1 ARG 32 -6.462 32.654 11.967 252 1HD ARG 32 HD2 ARG 32 -8.274 33.985 13.000 253 2HD ARG 32 HD1 ARG 32 -8.008 33.140 14.539 254 HE ARG 32 HE ARG 32 -5.560 33.994 14.262 255 1HH1 ARG 32 HH21 ARG 32 -7.324 35.489 11.922 256 2HH1 ARG 32 HH22 ARG 32 -7.094 37.109 12.490 257 1HH2 ARG 32 HH11 ARG 32 -5.706 36.132 15.515 258 2HH2 ARG 32 HH12 ARG 32 -6.178 37.473 14.525 259 H TYR 33 HN TYR 33 -4.855 30.169 11.482 260 HA TYR 33 HA TYR 33 -4.713 31.943 9.183 261 1HB TYR 33 HB2 TYR 33 -2.957 30.647 11.131 262 2HB TYR 33 HB1 TYR 33 -2.244 30.696 9.520 263 HD1 TYR 33 HD1 TYR 33 -2.343 32.960 8.253 264 HD2 TYR 33 HD2 TYR 33 -2.909 32.568 12.493 265 HE1 TYR 33 HE1 TYR 33 -1.818 35.365 8.544 266 HE2 TYR 33 HE2 TYR 33 -2.383 34.975 12.785 267 HH TYR 33 HH TYR 33 -1.129 36.744 11.552 268 HA PRO 34 HA PRO 34 -3.344 28.004 6.835 269 1HB PRO 34 HB2 PRO 34 -3.945 25.563 7.920 270 2HB PRO 34 HB1 PRO 34 -2.404 26.399 8.202 271 1HG PRO 34 HG2 PRO 34 -4.809 26.226 9.946 272 2HG PRO 34 HG1 PRO 34 -3.096 26.160 10.379 273 1HD PRO 34 HD2 PRO 34 -4.617 28.365 10.710 274 2HD PRO 34 HD1 PRO 34 -2.872 28.441 10.397 275 H GLY 35 HN GLY 35 -6.295 27.959 8.743 276 1HA GLY 35 HA2 GLY 35 -8.182 28.321 6.838 277 2HA GLY 35 HA1 GLY 35 -7.831 26.605 6.625 278 H ASP 36 HN ASP 36 -9.600 28.879 8.430 279 HA ASP 36 HA ASP 36 -9.996 27.275 10.839 280 1HB ASP 36 HB2 ASP 36 -11.695 29.031 11.294 281 2HB ASP 36 HB1 ASP 36 -10.165 29.737 10.778 282 H VAL 37 HN VAL 37 -12.017 26.223 11.400 283 HA VAL 37 HA VAL 37 -13.614 24.551 10.910 284 HB VAL 37 HB VAL 37 -14.750 26.776 11.005 285 1HG1 VAL 37 HG11 VAL 37 -14.357 26.631 8.009 286 2HG1 VAL 37 HG12 VAL 37 -13.925 27.943 9.104 287 3HG1 VAL 37 HG13 VAL 37 -15.619 27.616 8.744 288 1HG2 VAL 37 HG21 VAL 37 -15.728 24.299 9.960 289 2HG2 VAL 37 HG22 VAL 37 -16.530 25.601 9.084 290 3HG2 VAL 37 HG23 VAL 37 -16.619 25.537 10.844 291 H LYS 38 HN LYS 38 -11.322 24.413 9.076 292 HA LYS 38 HA LYS 38 -12.645 22.921 6.868 293 1HB LYS 38 HB2 LYS 38 -12.314 25.283 6.136 294 2HB LYS 38 HB1 LYS 38 -10.592 25.128 6.486 295 1HG LYS 38 HG2 LYS 38 -10.627 23.107 4.889 296 2HG LYS 38 HG1 LYS 38 -12.202 23.705 4.365 297 1HD LYS 38 HD2 LYS 38 -11.053 25.968 4.000 298 2HD LYS 38 HD1 LYS 38 -9.528 25.099 4.175 299 1HE LYS 38 HE2 LYS 38 -10.198 23.576 2.321 300 2HE LYS 38 HE1 LYS 38 -11.683 24.525 2.110 301 1HZ LYS 38 HZ1 LYS 38 -8.887 25.495 1.877 302 2HZ LYS 38 HZ2 LYS 38 -10.237 26.524 1.928 303 3HZ LYS 38 HZ3 LYS 38 -10.051 25.425 0.646 304 H ARG 39 HN ARG 39 -11.635 20.944 7.036 305 HA ARG 39 HA ARG 39 -9.051 20.585 8.267 306 1HB ARG 39 HB2 ARG 39 -10.917 18.835 6.652 307 2HB ARG 39 HB1 ARG 39 -9.442 18.226 7.405 308 1HG ARG 39 HG2 ARG 39 -10.244 18.986 9.607 309 2HG ARG 39 HG1 ARG 39 -11.722 19.594 8.861 310 1HD ARG 39 HD2 ARG 39 -12.219 17.268 8.058 311 2HD ARG 39 HD1 ARG 39 -10.813 16.698 8.981 312 HE ARG 39 HE ARG 39 -12.634 18.359 10.557 313 1HH1 ARG 39 HH21 ARG 39 -14.448 16.229 9.716 314 2HH1 ARG 39 HH22 ARG 39 -14.140 14.963 10.858 315 1HH2 ARG 39 HH11 ARG 39 -11.110 16.287 11.905 316 2HH2 ARG 39 HH12 ARG 39 -12.248 14.996 12.098 317 H GLY 40 HN GLY 40 -10.246 20.609 4.931 318 1HA GLY 40 HA2 GLY 40 -8.995 21.254 2.994 319 2HA GLY 40 HA1 GLY 40 -7.513 21.157 3.948 320 H ILE 41 HN ILE 41 -7.617 18.635 4.991 321 HA ILE 41 HA ILE 41 -6.798 16.954 2.809 322 HB ILE 41 HB ILE 41 -7.565 16.374 5.694 323 1HG1 ILE 41 HG12 ILE 41 -4.811 16.752 4.493 324 2HG1 ILE 41 HG11 ILE 41 -5.719 18.071 5.233 325 1HG2 ILE 41 HG21 ILE 41 -7.519 14.317 4.340 326 2HG2 ILE 41 HG22 ILE 41 -6.142 14.365 5.442 327 3HG2 ILE 41 HG23 ILE 41 -5.918 14.743 3.734 328 1HD1 ILE 41 HD11 ILE 41 -4.558 17.342 7.090 329 2HD1 ILE 41 HD12 ILE 41 -4.466 15.679 6.510 330 3HD1 ILE 41 HD13 ILE 41 -5.967 16.288 7.209 331 H VAL 42 HN VAL 42 -9.775 17.125 4.754 332 HA VAL 42 HA VAL 42 -11.048 14.807 3.655 333 HB VAL 42 HB VAL 42 -13.067 15.790 4.669 334 1HG1 VAL 42 HG11 VAL 42 -11.027 14.838 6.004 335 2HG1 VAL 42 HG12 VAL 42 -12.316 15.668 6.875 336 3HG1 VAL 42 HG13 VAL 42 -10.810 16.512 6.513 337 1HG2 VAL 42 HG21 VAL 42 -12.761 18.062 5.809 338 2HG2 VAL 42 HG22 VAL 42 -12.940 18.095 4.056 339 3HG2 VAL 42 HG23 VAL 42 -11.345 18.278 4.782 340 H GLU 43 HN GLU 43 -11.218 18.250 2.703 341 HA GLU 43 HA GLU 43 -13.191 17.961 0.676 342 1HB GLU 43 HB2 GLU 43 -10.889 19.883 1.073 343 2HB GLU 43 HB1 GLU 43 -12.101 20.092 -0.192 344 1HG GLU 43 HG2 GLU 43 -13.885 20.099 1.520 345 2HG GLU 43 HG1 GLU 43 -12.673 19.903 2.783 346 H GLN 44 HN GLN 44 -9.652 17.570 0.555 347 HA GLN 44 HA GLN 44 -9.354 17.314 -2.271 348 1HB GLN 44 HB2 GLN 44 -7.516 17.576 -0.628 349 2HB GLN 44 HB1 GLN 44 -7.852 15.963 0.000 350 1HG GLN 44 HG2 GLN 44 -7.244 14.937 -2.097 351 2HG GLN 44 HG1 GLN 44 -7.137 16.507 -2.894 352 1HE2 GLN 44 HE21 GLN 44 -5.201 17.742 -2.607 353 2HE2 GLN 44 HE22 GLN 44 -3.858 17.164 -1.745 354 H CYS 45 HN CYS 45 -10.150 14.883 0.224 355 HA CYS 45 HA CYS 45 -10.276 12.685 -1.710 356 1HB CYS 45 HB2 CYS 45 -11.253 12.979 1.151 357 2HB CYS 45 HB1 CYS 45 -11.155 11.457 0.272 358 H CYS 46 HN CYS 46 -12.490 14.991 -0.232 359 HA CYS 46 HA CYS 46 -14.956 13.714 -1.027 360 1HB CYS 46 HB2 CYS 46 -14.338 15.629 0.686 361 2HB CYS 46 HB1 CYS 46 -14.647 16.659 -0.706 362 H THR 47 HN THR 47 -12.981 16.320 -2.475 363 HA THR 47 HA THR 47 -14.730 16.695 -4.771 364 HB THR 47 HB THR 47 -11.809 17.395 -4.293 365 HG1 THR 47 HG1 THR 47 -12.589 18.852 -3.026 366 1HG2 THR 47 HG21 THR 47 -13.806 18.099 -6.410 367 2HG2 THR 47 HG22 THR 47 -12.079 17.778 -6.565 368 3HG2 THR 47 HG23 THR 47 -12.634 19.320 -5.913 369 H SER 48 HN SER 48 -11.701 14.946 -4.178 370 HA SER 48 HA SER 48 -12.168 13.356 -6.678 371 1HB SER 48 HB2 SER 48 -9.583 14.481 -5.540 372 2HB SER 48 HB1 SER 48 -9.678 13.415 -6.939 373 HG SER 48 HG SER 48 -9.841 16.000 -6.953 374 H ILE 49 HN ILE 49 -11.622 11.106 -6.425 375 HA ILE 49 HA ILE 49 -11.787 10.050 -3.742 376 HB ILE 49 HB ILE 49 -10.957 8.773 -6.373 377 1HG1 ILE 49 HG12 ILE 49 -13.665 8.794 -5.010 378 2HG1 ILE 49 HG11 ILE 49 -13.218 9.925 -6.287 379 1HG2 ILE 49 HG21 ILE 49 -11.492 6.660 -5.348 380 2HG2 ILE 49 HG22 ILE 49 -12.122 7.456 -3.905 381 3HG2 ILE 49 HG23 ILE 49 -10.393 7.497 -4.251 382 1HD1 ILE 49 HD11 ILE 49 -12.769 8.031 -7.809 383 2HD1 ILE 49 HD12 ILE 49 -14.431 7.990 -7.218 384 3HD1 ILE 49 HD13 ILE 49 -13.225 6.901 -6.534 385 H CYS 50 HN CYS 50 -10.151 9.762 -2.294 386 HA CYS 50 HA CYS 50 -7.396 10.422 -3.011 387 1HB CYS 50 HB2 CYS 50 -8.965 9.682 -0.560 388 2HB CYS 50 HB1 CYS 50 -7.203 9.588 -0.493 389 H SER 51 HN SER 51 -5.592 8.912 -2.731 390 HA SER 51 HA SER 51 -6.152 6.298 -3.887 391 1HB SER 51 HB2 SER 51 -3.737 6.162 -3.968 392 2HB SER 51 HB1 SER 51 -4.203 7.812 -4.369 393 HG SER 51 HG SER 51 -2.941 6.787 -2.106 394 H LEU 52 HN LEU 52 -5.383 4.279 -2.966 395 HA LEU 52 HA LEU 52 -6.336 3.673 -0.369 396 1HB LEU 52 HB2 LEU 52 -6.018 2.068 -2.220 397 2HB LEU 52 HB1 LEU 52 -4.271 2.279 -2.106 398 HG LEU 52 HG LEU 52 -4.436 1.500 0.301 399 1HD1 LEU 52 HD11 LEU 52 -7.241 0.808 -0.620 400 2HD1 LEU 52 HD12 LEU 52 -6.804 1.925 0.673 401 3HD1 LEU 52 HD13 LEU 52 -6.499 0.198 0.859 402 1HD2 LEU 52 HD21 LEU 52 -5.250 -0.943 -0.672 403 2HD2 LEU 52 HD22 LEU 52 -3.627 -0.281 -0.865 404 3HD2 LEU 52 HD23 LEU 52 -4.813 -0.096 -2.156 405 H TYR 53 HN TYR 53 -3.058 4.423 -1.511 406 HA TYR 53 HA TYR 53 -1.547 3.823 0.798 407 1HB TYR 53 HB2 TYR 53 -0.745 4.486 -1.476 408 2HB TYR 53 HB1 TYR 53 -1.220 6.136 -1.101 409 HD1 TYR 53 HD1 TYR 53 0.004 7.476 0.541 410 HD2 TYR 53 HD2 TYR 53 1.160 3.438 -0.358 411 HE1 TYR 53 HE1 TYR 53 2.177 7.844 1.677 412 HE2 TYR 53 HE2 TYR 53 3.332 3.805 0.780 413 HH TYR 53 HH TYR 53 3.947 6.597 2.710 414 H GLN 54 HN GLN 54 -3.365 6.779 -0.007 415 HA GLN 54 HA GLN 54 -2.543 8.301 2.300 416 1HB GLN 54 HB2 GLN 54 -4.933 8.388 0.436 417 2HB GLN 54 HB1 GLN 54 -4.633 9.617 1.666 418 1HG GLN 54 HG2 GLN 54 -2.512 10.199 0.667 419 2HG GLN 54 HG1 GLN 54 -2.611 8.841 -0.453 420 1HE2 GLN 54 HE21 GLN 54 -2.290 11.364 -1.569 421 2HE2 GLN 54 HE22 GLN 54 -3.734 11.871 -2.305 422 H LEU 55 HN LEU 55 -5.301 6.123 1.662 423 HA LEU 55 HA LEU 55 -6.727 6.525 4.109 424 1HB LEU 55 HB2 LEU 55 -6.380 4.070 2.349 425 2HB LEU 55 HB1 LEU 55 -7.642 4.262 3.563 426 HG LEU 55 HG LEU 55 -7.241 6.066 1.159 427 1HD1 LEU 55 HD11 LEU 55 -8.130 3.635 0.867 428 2HD1 LEU 55 HD12 LEU 55 -9.055 4.954 0.149 429 3HD1 LEU 55 HD13 LEU 55 -9.580 4.236 1.671 430 1HD2 LEU 55 HD21 LEU 55 -9.144 6.064 3.496 431 2HD2 LEU 55 HD22 LEU 55 -9.646 6.738 1.946 432 3HD2 LEU 55 HD23 LEU 55 -8.257 7.417 2.794 433 H GLU 56 HN GLU 56 -4.065 4.354 3.236 434 HA GLU 56 HA GLU 56 -3.903 2.829 5.641 435 1HB GLU 56 HB2 GLU 56 -1.861 3.740 3.588 436 2HB GLU 56 HB1 GLU 56 -1.494 2.563 4.849 437 1HG GLU 56 HG2 GLU 56 -3.205 1.053 4.025 438 2HG GLU 56 HG1 GLU 56 -3.765 2.256 2.866 439 H ASN 57 HN ASN 57 -2.458 5.952 4.731 440 HA ASN 57 HA ASN 57 -0.800 6.358 7.023 441 1HB ASN 57 HB2 ASN 57 -0.762 7.682 4.925 442 2HB ASN 57 HB1 ASN 57 -2.355 8.333 5.310 443 1HD2 ASN 57 HD21 ASN 57 -2.401 10.212 6.578 444 2HD2 ASN 57 HD22 ASN 57 -1.065 10.837 7.418 445 H TYR 58 HN TYR 58 -4.151 7.440 6.394 446 HA TYR 58 HA TYR 58 -4.649 8.675 8.911 447 1HB TYR 58 HB2 TYR 58 -6.542 7.209 7.043 448 2HB TYR 58 HB1 TYR 58 -7.010 8.397 8.256 449 HD1 TYR 58 HD1 TYR 58 -4.800 10.417 7.911 450 HD2 TYR 58 HD2 TYR 58 -7.123 8.259 5.008 451 HE1 TYR 58 HE1 TYR 58 -4.418 12.226 6.258 452 HE2 TYR 58 HE2 TYR 58 -6.738 10.069 3.359 453 HH TYR 58 HH TYR 58 -6.196 12.591 3.489 454 H CYS 59 HN CYS 59 -4.701 5.290 7.949 455 HA CYS 59 HA CYS 59 -6.073 4.421 10.412 456 1HB CYS 59 HB2 CYS 59 -5.982 3.515 7.872 457 2HB CYS 59 HB1 CYS 59 -4.680 2.545 8.558 458 H ASN 60 HN ASN 60 -3.905 5.737 11.307 459 HA ASN 60 HA ASN 60 -1.478 4.160 11.504 460 1HB ASN 60 HB2 ASN 60 -2.637 6.482 13.078 461 2HB ASN 60 HB1 ASN 60 -1.001 5.866 13.317 462 1HD2 ASN 60 HD21 ASN 60 -0.104 5.388 10.743 463 2HD2 ASN 60 HD22 ASN 60 -0.121 6.820 9.831
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