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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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649689 |
6vxw ![]() ![]() |
30727 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 12.025 32.475 30.554 2 H2 LYS 1 H2 LYS 1 11.646 31.305 31.633 3 H3 LYS 1 H3 LYS 1 12.570 30.931 30.337 4 HA LYS 1 HA LYS 1 13.341 32.729 32.536 5 HB2 LYS 1 HB2 LYS 1 13.289 30.149 32.885 6 HB3 LYS 1 HB3 LYS 1 14.669 30.096 31.786 7 HG2 LYS 1 HG2 LYS 1 15.928 31.589 33.363 8 HG3 LYS 1 HG3 LYS 1 14.517 31.567 34.445 9 HD2 LYS 1 HD2 LYS 1 14.700 29.076 34.557 10 HD3 LYS 1 HD3 LYS 1 16.189 29.158 33.598 11 HE2 LYS 1 HE2 LYS 1 17.284 30.499 35.335 12 HE3 LYS 1 HE3 LYS 1 15.777 30.584 36.260 13 HZ1 LYS 1 HZ1 LYS 1 15.853 28.205 36.556 14 HZ2 LYS 1 HZ2 LYS 1 17.258 28.087 35.678 15 HZ3 LYS 1 HZ3 LYS 1 17.262 28.864 37.107 16 H GLU 2 H GLU 2 15.490 33.669 32.328 17 HA GLU 2 HA GLU 2 16.732 33.516 29.602 18 HB2 GLU 2 HB2 GLU 2 16.407 36.046 31.256 19 HB3 GLU 2 HB3 GLU 2 17.245 35.867 29.710 20 HG2 GLU 2 HG2 GLU 2 15.027 35.161 28.689 21 HG3 GLU 2 HG3 GLU 2 14.257 35.640 30.198 22 H GLY 3 H GLY 3 19.025 34.229 29.561 23 HA2 GLY 3 HA2 GLY 3 20.507 34.518 32.016 24 HA3 GLY 3 HA3 GLY 3 20.655 32.881 31.395 25 H TYR 4 H TYR 4 22.507 35.293 31.689 26 HA TYR 4 HA TYR 4 23.540 36.107 29.167 27 HB2 TYR 4 HB2 TYR 4 24.160 37.346 31.011 28 HB3 TYR 4 HB3 TYR 4 24.450 35.956 32.015 29 HD1 TYR 4 HD1 TYR 4 26.590 35.439 32.629 30 HD2 TYR 4 HD2 TYR 4 25.925 37.659 28.980 31 HE1 TYR 4 HE1 TYR 4 29.024 35.913 32.475 32 HE2 TYR 4 HE2 TYR 4 28.371 38.104 28.826 33 HH TYR 4 HH TYR 4 30.709 36.844 31.220 34 H LEU 5 H LEU 5 25.017 35.237 27.716 35 HA LEU 5 HA LEU 5 25.578 32.375 27.967 36 HB2 LEU 5 HB2 LEU 5 24.929 33.223 25.803 37 HB3 LEU 5 HB3 LEU 5 26.286 34.354 25.799 38 HG LEU 5 HG LEU 5 27.901 32.515 25.739 39 HD11 LEU 5 HD11 LEU 5 25.487 30.656 25.638 40 HD12 LEU 5 HD12 LEU 5 27.184 30.197 25.340 41 HD13 LEU 5 HD13 LEU 5 26.693 30.724 26.942 42 HD21 LEU 5 HD21 LEU 5 25.730 32.105 23.654 43 HD22 LEU 5 HD22 LEU 5 26.952 33.388 23.605 44 HD23 LEU 5 HD23 LEU 5 27.465 31.707 23.506 45 H VAL 6 H VAL 6 27.241 31.564 28.998 46 HA VAL 6 HA VAL 6 29.910 32.826 28.899 47 HB VAL 6 HB VAL 6 28.778 33.673 30.930 48 HG11 VAL 6 HG11 VAL 6 28.329 32.246 32.844 49 HG12 VAL 6 HG12 VAL 6 27.361 31.696 31.471 50 HG13 VAL 6 HG13 VAL 6 28.817 30.796 31.947 51 HG21 VAL 6 HG21 VAL 6 31.087 31.810 31.605 52 HG22 VAL 6 HG22 VAL 6 31.230 33.426 30.863 53 HG23 VAL 6 HG23 VAL 6 30.572 33.257 32.490 54 H ASP 7 H ASP 7 31.638 31.341 29.132 55 HA ASP 7 HA ASP 7 30.925 28.555 28.553 56 HB2 ASP 7 HB2 ASP 7 32.842 29.713 27.422 57 HB3 ASP 7 HB3 ASP 7 33.682 29.724 28.978 58 H TYR 8 H TYR 8 31.308 26.755 29.769 59 HA TYR 8 HA TYR 8 31.082 27.052 32.613 60 HB2 TYR 8 HB2 TYR 8 30.728 24.727 32.658 61 HB3 TYR 8 HB3 TYR 8 30.000 25.294 31.158 62 HD1 TYR 8 HD1 TYR 8 32.663 23.247 32.674 63 HD2 TYR 8 HD2 TYR 8 31.058 24.724 28.962 64 HE1 TYR 8 HE1 TYR 8 34.042 21.615 31.430 65 HE2 TYR 8 HE2 TYR 8 32.473 23.117 27.710 66 HH TYR 8 HH TYR 8 34.902 21.105 29.341 67 H HIS 9 H HIS 9 33.962 27.040 30.752 68 HA HIS 9 HA HIS 9 35.608 26.186 33.104 69 HB2 HIS 9 HB2 HIS 9 35.384 24.280 31.580 70 HB3 HIS 9 HB3 HIS 9 35.864 25.268 30.206 71 HD2 HIS 9 HD2 HIS 9 38.454 25.736 29.853 72 HE1 HIS 9 HE1 HIS 9 39.941 23.408 33.086 73 HE2 HIS 9 HE2 HIS 9 40.586 24.723 31.015 74 H THR 10 H THR 10 35.475 27.949 29.962 75 HA THR 10 HA THR 10 37.831 29.508 30.563 76 HB THR 10 HB THR 10 35.676 30.151 28.538 77 HG1 THR 10 HG1 THR 10 36.145 28.109 28.094 78 HG21 THR 10 HG21 THR 10 38.659 30.541 28.604 79 HG22 THR 10 HG22 THR 10 37.576 30.934 27.232 80 HG23 THR 10 HG23 THR 10 37.411 31.808 28.759 81 H GLY 11 H GLY 11 34.414 29.877 31.434 82 HA2 GLY 11 HA2 GLY 11 33.342 31.425 32.686 83 HA3 GLY 11 HA3 GLY 11 34.930 31.986 33.206 84 H CYS 12 H CYS 12 34.427 32.337 29.792 85 HA CYS 12 HA CYS 12 34.330 35.258 30.229 86 HB2 CYS 12 HB2 CYS 12 36.246 33.837 29.074 87 HB3 CYS 12 HB3 CYS 12 35.213 34.015 27.658 88 H LYS 13 H LYS 13 33.211 36.685 28.898 89 HA LYS 13 HA LYS 13 30.605 36.091 27.976 90 HB2 LYS 13 HB2 LYS 13 30.450 38.337 27.468 91 HB3 LYS 13 HB3 LYS 13 31.665 38.330 28.735 92 HG2 LYS 13 HG2 LYS 13 32.128 38.628 25.756 93 HG3 LYS 13 HG3 LYS 13 32.244 39.890 26.973 94 HD2 LYS 13 HD2 LYS 13 34.267 38.938 27.914 95 HD3 LYS 13 HD3 LYS 13 34.070 37.469 26.950 96 HE2 LYS 13 HE2 LYS 13 35.664 38.570 25.762 97 HE3 LYS 13 HE3 LYS 13 34.168 38.858 24.870 98 HZ1 LYS 13 HZ1 LYS 13 35.525 40.872 25.108 99 HZ2 LYS 13 HZ2 LYS 13 34.112 41.110 25.937 100 HZ3 LYS 13 HZ3 LYS 13 35.516 40.738 26.731 101 H TYR 14 H TYR 14 29.673 36.411 25.818 102 HA TYR 14 HA TYR 14 31.473 35.609 23.542 103 HB2 TYR 14 HB2 TYR 14 28.765 34.565 24.359 104 HB3 TYR 14 HB3 TYR 14 29.296 34.509 22.684 105 HD1 TYR 14 HD1 TYR 14 30.774 32.844 21.890 106 HD2 TYR 14 HD2 TYR 14 30.250 33.368 26.142 107 HE1 TYR 14 HE1 TYR 14 32.178 30.843 22.308 108 HE2 TYR 14 HE2 TYR 14 31.630 31.352 26.554 109 HH TYR 14 HH TYR 14 32.886 29.306 23.908 110 H THR 15 H THR 15 31.738 37.518 22.491 111 HA THR 15 HA THR 15 29.640 39.553 22.470 112 HB THR 15 HB THR 15 31.216 40.974 21.359 113 HG1 THR 15 HG1 THR 15 32.978 38.763 21.351 114 HG21 THR 15 HG21 THR 15 32.545 39.388 23.588 115 HG22 THR 15 HG22 THR 15 33.065 40.965 22.988 116 HG23 THR 15 HG23 THR 15 31.480 40.800 23.772 117 H CYS 16 H CYS 16 28.646 40.550 20.685 118 HA CYS 16 HA CYS 16 28.772 39.369 18.024 119 HB2 CYS 16 HB2 CYS 16 26.353 38.705 18.092 120 HB3 CYS 16 HB3 CYS 16 27.467 37.700 18.987 121 H ALA 17 H ALA 17 26.896 40.321 16.644 122 HA ALA 17 HA ALA 17 27.188 43.177 16.569 123 HB1 ALA 17 HB1 ALA 17 26.938 41.743 14.586 124 HB2 ALA 17 HB2 ALA 17 25.311 41.263 15.119 125 HB3 ALA 17 HB3 ALA 17 25.632 42.944 14.643 126 H LYS 18 H LYS 18 25.385 44.762 16.546 127 HA LYS 18 HA LYS 18 24.327 44.927 19.079 128 HB2 LYS 18 HB2 LYS 18 23.219 46.937 18.423 129 HB3 LYS 18 HB3 LYS 18 24.770 46.813 17.606 130 HG2 LYS 18 HG2 LYS 18 23.506 46.000 15.538 131 HG3 LYS 18 HG3 LYS 18 22.012 46.437 16.388 132 HD2 LYS 18 HD2 LYS 18 22.868 48.767 16.644 133 HD3 LYS 18 HD3 LYS 18 24.301 48.329 15.690 134 HE2 LYS 18 HE2 LYS 18 22.823 47.711 13.782 135 HE3 LYS 18 HE3 LYS 18 21.414 48.135 14.756 136 HZ1 LYS 18 HZ1 LYS 18 22.398 50.426 14.901 137 HZ2 LYS 18 HZ2 LYS 18 23.484 50.009 13.769 138 HZ3 LYS 18 HZ3 LYS 18 21.883 49.987 13.391 139 H LEU 19 H LEU 19 22.788 44.158 20.228 140 HA LEU 19 HA LEU 19 20.882 43.013 20.873 141 HB2 LEU 19 HB2 LEU 19 19.832 45.268 19.176 142 HB3 LEU 19 HB3 LEU 19 18.842 44.340 20.307 143 HG LEU 19 HG LEU 19 21.304 45.916 21.160 144 HD11 LEU 19 HD11 LEU 19 19.576 47.415 20.243 145 HD12 LEU 19 HD12 LEU 19 18.352 46.670 21.296 146 HD13 LEU 19 HD13 LEU 19 19.709 47.582 21.996 147 HD21 LEU 19 HD21 LEU 19 18.981 44.688 22.731 148 HD22 LEU 19 HD22 LEU 19 20.664 44.111 22.725 149 HD23 LEU 19 HD23 LEU 19 20.280 45.690 23.406 150 H GLY 20 H GLY 20 18.899 43.614 18.452 151 HA2 GLY 20 HA2 GLY 20 18.034 40.970 17.955 152 HA3 GLY 20 HA3 GLY 20 17.568 42.392 17.020 153 H ASP 21 H ASP 21 20.832 42.348 16.515 154 HA ASP 21 HA ASP 21 20.681 40.744 14.037 155 HB2 ASP 21 HB2 ASP 21 22.939 42.404 15.204 156 HB3 ASP 21 HB3 ASP 21 23.021 41.518 13.683 157 H ASN 22 H ASN 22 20.114 39.231 16.116 158 HA ASN 22 HA ASN 22 22.222 38.036 17.609 159 HB2 ASN 22 HB2 ASN 22 20.364 36.781 18.609 160 HB3 ASN 22 HB3 ASN 22 19.969 38.488 18.441 161 HD21 ASN 22 HD21 ASN 22 16.950 36.684 17.437 162 HD22 ASN 22 HD22 ASN 22 17.948 36.695 18.901 163 H ASP 23 H ASP 23 22.151 37.442 14.544 164 HA ASP 23 HA ASP 23 21.388 34.783 14.112 165 HB2 ASP 23 HB2 ASP 23 23.420 36.519 12.667 166 HB3 ASP 23 HB3 ASP 23 22.864 34.959 12.069 167 H TYR 24 H TYR 24 24.536 35.893 15.315 168 HA TYR 24 HA TYR 24 25.721 33.179 15.250 169 HB2 TYR 24 HB2 TYR 24 27.193 35.039 14.829 170 HB3 TYR 24 HB3 TYR 24 26.656 35.882 16.273 171 HD1 TYR 24 HD1 TYR 24 28.663 33.011 15.052 172 HD2 TYR 24 HD2 TYR 24 27.544 35.398 18.463 173 HE1 TYR 24 HE1 TYR 24 30.469 31.951 16.384 174 HE2 TYR 24 HE2 TYR 24 29.346 34.325 19.802 175 HH TYR 24 HH TYR 24 31.168 31.560 18.584 176 H CYS 25 H CYS 25 24.257 35.417 17.602 177 HA CYS 25 HA CYS 25 24.968 33.989 19.970 178 HB2 CYS 25 HB2 CYS 25 24.369 36.303 20.015 179 HB3 CYS 25 HB3 CYS 25 22.785 35.985 19.315 180 H VAL 26 H VAL 26 21.886 33.839 18.068 181 HA VAL 26 HA VAL 26 20.590 31.956 19.776 182 HB VAL 26 HB VAL 26 20.263 32.445 16.793 183 HG11 VAL 26 HG11 VAL 26 19.281 30.262 17.275 184 HG12 VAL 26 HG12 VAL 26 18.453 30.905 18.711 185 HG13 VAL 26 HG13 VAL 26 17.989 31.440 17.080 186 HG21 VAL 26 HG21 VAL 26 18.314 33.774 17.475 187 HG22 VAL 26 HG22 VAL 26 18.621 33.404 19.185 188 HG23 VAL 26 HG23 VAL 26 19.757 34.404 18.264 189 H ARG 27 H ARG 27 22.858 31.404 17.099 190 HA ARG 27 HA ARG 27 22.714 28.519 17.071 191 HB2 ARG 27 HB2 ARG 27 24.691 30.586 16.056 192 HB3 ARG 27 HB3 ARG 27 25.031 28.857 15.975 193 HG2 ARG 27 HG2 ARG 27 22.880 28.532 14.723 194 HG3 ARG 27 HG3 ARG 27 22.657 30.297 14.733 195 HD2 ARG 27 HD2 ARG 27 24.820 30.554 13.514 196 HD3 ARG 27 HD3 ARG 27 25.004 28.796 13.501 197 HE ARG 27 HE ARG 27 23.376 28.594 11.846 198 HH11 ARG 27 HH11 ARG 27 23.384 31.995 12.864 199 HH12 ARG 27 HH12 ARG 27 22.480 32.432 11.420 200 HH21 ARG 27 HH21 ARG 27 22.095 29.264 10.269 201 HH22 ARG 27 HH22 ARG 27 21.568 30.928 10.139 202 H GLU 28 H GLU 28 24.522 30.708 19.184 203 HA GLU 28 HA GLU 28 26.041 28.451 20.369 204 HB2 GLU 28 HB2 GLU 28 25.528 31.251 21.423 205 HB3 GLU 28 HB3 GLU 28 26.578 30.043 22.158 206 HG2 GLU 28 HG2 GLU 28 26.992 31.394 19.467 207 HG3 GLU 28 HG3 GLU 28 27.901 31.689 20.946 208 H CYS 29 H CYS 29 23.194 30.453 21.344 209 HA CYS 29 HA CYS 29 22.747 29.203 23.822 210 HB2 CYS 29 HB2 CYS 29 20.728 30.422 21.904 211 HB3 CYS 29 HB3 CYS 29 20.407 30.056 23.595 212 H ARG 30 H ARG 30 21.410 28.279 20.634 213 HA ARG 30 HA ARG 30 19.885 26.041 21.705 214 HB2 ARG 30 HB2 ARG 30 18.927 25.941 19.635 215 HB3 ARG 30 HB3 ARG 30 19.407 27.622 19.691 216 HG2 ARG 30 HG2 ARG 30 21.506 26.956 18.392 217 HG3 ARG 30 HG3 ARG 30 20.794 25.347 18.194 218 HD2 ARG 30 HD2 ARG 30 19.600 27.976 17.240 219 HD3 ARG 30 HD3 ARG 30 20.398 26.772 16.241 220 HE ARG 30 HE ARG 30 17.708 26.527 17.549 221 HH11 ARG 30 HH11 ARG 30 20.036 24.884 15.458 222 HH12 ARG 30 HH12 ARG 30 18.753 23.834 14.850 223 HH21 ARG 30 HH21 ARG 30 16.201 25.330 16.441 224 HH22 ARG 30 HH22 ARG 30 16.772 24.053 15.368 225 H LEU 31 H LEU 31 23.161 26.245 21.057 226 HA LEU 31 HA LEU 31 23.338 23.259 20.904 227 HB2 LEU 31 HB2 LEU 31 25.267 25.448 20.090 228 HB3 LEU 31 HB3 LEU 31 25.754 23.756 20.257 229 HG LEU 31 HG LEU 31 23.599 24.773 18.341 230 HD11 LEU 31 HD11 LEU 31 25.241 24.187 16.597 231 HD12 LEU 31 HD12 LEU 31 25.847 25.430 17.691 232 HD13 LEU 31 HD13 LEU 31 26.428 23.760 17.853 233 HD21 LEU 31 HD21 LEU 31 24.783 21.987 18.741 234 HD22 LEU 31 HD22 LEU 31 23.075 22.473 18.910 235 HD23 LEU 31 HD23 LEU 31 23.826 22.476 17.327 236 H ARG 32 H ARG 32 24.104 26.020 22.958 237 HA ARG 32 HA ARG 32 25.592 24.556 24.955 238 HB2 ARG 32 HB2 ARG 32 24.086 27.185 24.700 239 HB3 ARG 32 HB3 ARG 32 24.582 26.634 26.280 240 HG2 ARG 32 HG2 ARG 32 26.448 26.918 23.895 241 HG3 ARG 32 HG3 ARG 32 26.071 28.233 25.007 242 HD2 ARG 32 HD2 ARG 32 26.955 26.927 26.910 243 HD3 ARG 32 HD3 ARG 32 27.368 25.593 25.800 244 HE ARG 32 HE ARG 32 28.385 28.004 24.750 245 HH11 ARG 32 HH11 ARG 32 29.231 25.747 27.368 246 HH12 ARG 32 HH12 ARG 32 30.903 26.346 27.328 247 HH21 ARG 32 HH21 ARG 32 30.475 28.545 24.829 248 HH22 ARG 32 HH22 ARG 32 31.569 27.808 26.006 249 H TYR 33 H TYR 33 22.184 25.511 24.631 250 HA TYR 33 HA TYR 33 21.330 23.430 26.611 251 HB2 TYR 33 HB2 TYR 33 19.776 25.794 25.503 252 HB3 TYR 33 HB3 TYR 33 19.294 24.750 26.829 253 HD1 TYR 33 HD1 TYR 33 20.239 27.933 26.214 254 HD2 TYR 33 HD2 TYR 33 21.348 24.627 28.741 255 HE1 TYR 33 HE1 TYR 33 21.337 29.519 27.821 256 HE2 TYR 33 HE2 TYR 33 22.414 26.196 30.344 257 HH TYR 33 HH TYR 33 22.823 28.376 30.868 258 H TYR 34 H TYR 34 18.789 23.063 25.825 259 HA TYR 34 HA TYR 34 18.682 21.397 23.569 260 HB2 TYR 34 HB2 TYR 34 16.286 21.571 23.781 261 HB3 TYR 34 HB3 TYR 34 17.054 21.344 25.332 262 HD1 TYR 34 HD1 TYR 34 17.597 24.774 25.042 263 HD2 TYR 34 HD2 TYR 34 14.340 21.950 25.367 264 HE1 TYR 34 HE1 TYR 34 16.229 26.508 26.073 265 HE2 TYR 34 HE2 TYR 34 12.946 23.732 26.388 266 HH TYR 34 HH TYR 34 12.796 25.956 26.931 267 H GLN 35 H GLN 35 17.903 21.608 21.464 268 HA GLN 35 HA GLN 35 18.600 23.912 20.061 269 HB2 GLN 35 HB2 GLN 35 17.758 22.870 18.124 270 HB3 GLN 35 HB3 GLN 35 18.428 21.631 19.172 271 HG2 GLN 35 HG2 GLN 35 16.112 21.015 19.904 272 HG3 GLN 35 HG3 GLN 35 15.456 22.291 18.863 273 HE21 GLN 35 HE21 GLN 35 15.068 19.770 16.426 274 HE22 GLN 35 HE22 GLN 35 14.284 21.020 17.386 275 H SER 36 H SER 36 15.660 23.457 21.770 276 HA SER 36 HA SER 36 14.039 25.422 20.363 277 HB2 SER 36 HB2 SER 36 13.737 24.120 23.101 278 HB3 SER 36 HB3 SER 36 12.503 25.090 22.283 279 HG SER 36 HG SER 36 12.475 23.611 20.604 280 H ALA 37 H ALA 37 16.757 25.947 22.265 281 HA ALA 37 HA ALA 37 15.882 28.195 23.852 282 HB1 ALA 37 HB1 ALA 37 17.976 26.925 24.256 283 HB2 ALA 37 HB2 ALA 37 18.628 27.535 22.723 284 HB3 ALA 37 HB3 ALA 37 18.292 28.656 24.053 285 H HIS 38 H HIS 38 16.618 30.453 23.564 286 HA HIS 38 HA HIS 38 17.092 31.388 20.796 287 HB2 HIS 38 HB2 HIS 38 14.584 31.383 21.362 288 HB3 HIS 38 HB3 HIS 38 14.952 32.619 22.563 289 HD2 HIS 38 HD2 HIS 38 14.704 35.039 21.631 290 HE1 HIS 38 HE1 HIS 38 15.685 34.359 17.541 291 HE2 HIS 38 HE2 HIS 38 15.082 36.135 19.294 292 H GLY 39 H GLY 39 17.326 34.060 21.096 293 HA2 GLY 39 HA2 GLY 39 18.239 35.117 23.498 294 HA3 GLY 39 HA3 GLY 39 19.681 34.450 22.726 295 H TYR 40 H TYR 40 19.720 37.035 23.273 296 HA TYR 40 HA TYR 40 19.998 38.201 20.620 297 HB2 TYR 40 HB2 TYR 40 18.847 40.200 20.919 298 HB3 TYR 40 HB3 TYR 40 17.733 38.913 21.236 299 HD1 TYR 40 HD1 TYR 40 19.116 38.798 24.348 300 HD2 TYR 40 HD2 TYR 40 17.079 41.639 21.815 301 HE1 TYR 40 HE1 TYR 40 18.367 40.050 26.345 302 HE2 TYR 40 HE2 TYR 40 16.329 42.888 23.832 303 HH TYR 40 HH TYR 40 16.891 41.655 27.117 304 H CYS 41 H CYS 41 21.079 40.445 20.751 305 HA CYS 41 HA CYS 41 23.497 39.874 22.398 306 HB2 CYS 41 HB2 CYS 41 23.058 41.403 19.851 307 HB3 CYS 41 HB3 CYS 41 24.602 41.359 20.696 308 H TYR 42 H TYR 42 22.335 40.720 24.274 309 HA TYR 42 HA TYR 42 21.680 43.514 24.635 310 HB2 TYR 42 HB2 TYR 42 20.681 41.766 25.986 311 HB3 TYR 42 HB3 TYR 42 22.253 41.224 26.544 312 HD1 TYR 42 HD1 TYR 42 23.421 42.332 28.348 313 HD2 TYR 42 HD2 TYR 42 19.712 43.920 26.817 314 HE1 TYR 42 HE1 TYR 42 23.297 43.879 30.277 315 HE2 TYR 42 HE2 TYR 42 19.593 45.480 28.775 316 HH TYR 42 HH TYR 42 22.297 45.834 31.032 317 H ALA 43 H ALA 43 23.037 45.194 24.861 318 HA ALA 43 HA ALA 43 24.985 46.357 24.766 319 HB1 ALA 43 HB1 ALA 43 26.380 46.215 26.760 320 HB2 ALA 43 HB2 ALA 43 24.662 46.106 27.183 321 HB3 ALA 43 HB3 ALA 43 25.669 44.640 27.171 322 H PHE 44 H PHE 44 25.016 44.577 22.783 323 HA PHE 44 HA PHE 44 26.234 43.480 21.266 324 HB2 PHE 44 HB2 PHE 44 28.634 44.844 22.499 325 HB3 PHE 44 HB3 PHE 44 28.516 44.190 20.882 326 HD1 PHE 44 HD1 PHE 44 27.486 45.425 19.085 327 HD2 PHE 44 HD2 PHE 44 27.397 46.948 23.121 328 HE1 PHE 44 HE1 PHE 44 26.757 47.647 18.245 329 HE2 PHE 44 HE2 PHE 44 26.574 49.129 22.281 330 HZ PHE 44 HZ PHE 44 26.245 49.482 19.839 331 H ALA 45 H ALA 45 25.965 42.117 24.021 332 HA ALA 45 HA ALA 45 27.735 39.850 23.302 333 HB1 ALA 45 HB1 ALA 45 27.346 40.943 26.115 334 HB2 ALA 45 HB2 ALA 45 28.235 39.464 25.685 335 HB3 ALA 45 HB3 ALA 45 28.831 41.046 25.145 336 H CYS 46 H CYS 46 27.010 37.796 23.726 337 HA CYS 46 HA CYS 46 24.220 37.629 23.175 338 HB2 CYS 46 HB2 CYS 46 25.905 36.208 22.164 339 HB3 CYS 46 HB3 CYS 46 26.277 35.495 23.725 340 H TRP 47 H TRP 47 22.534 37.308 24.304 341 HA TRP 47 HA TRP 47 22.540 36.388 27.155 342 HB2 TRP 47 HB2 TRP 47 22.351 38.828 26.927 343 HB3 TRP 47 HB3 TRP 47 20.994 38.649 25.829 344 HD1 TRP 47 HD1 TRP 47 18.716 37.578 26.920 345 HE1 TRP 47 HE1 TRP 47 17.734 37.838 29.276 346 HE3 TRP 47 HE3 TRP 47 22.939 39.100 29.361 347 HZ2 TRP 47 HZ2 TRP 47 18.717 38.448 31.935 348 HZ3 TRP 47 HZ3 TRP 47 22.895 39.522 31.786 349 HH2 TRP 47 HH2 TRP 47 20.798 39.221 33.098 350 H CYS 48 H CYS 48 21.478 34.423 27.112 351 HA CYS 48 HA CYS 48 19.791 33.721 24.831 352 HB2 CYS 48 HB2 CYS 48 20.657 32.118 27.237 353 HB3 CYS 48 HB3 CYS 48 19.812 31.487 25.814 354 H THR 49 H THR 49 17.632 33.125 24.900 355 HA THR 49 HA THR 49 16.007 33.828 27.283 356 HB THR 49 HB THR 49 14.544 35.270 26.064 357 HG1 THR 49 HG1 THR 49 14.502 34.562 24.043 358 HG21 THR 49 HG21 THR 49 17.315 36.242 25.302 359 HG22 THR 49 HG22 THR 49 15.871 37.195 25.697 360 HG23 THR 49 HG23 THR 49 16.692 36.277 26.965 361 H HIS 50 H HIS 50 13.596 33.391 26.819 362 HA HIS 50 HA HIS 50 12.026 31.805 26.594 363 HB2 HIS 50 HB2 HIS 50 13.305 31.178 23.922 364 HB3 HIS 50 HB3 HIS 50 11.677 30.764 24.435 365 HD2 HIS 50 HD2 HIS 50 9.796 32.555 24.166 366 HE1 HIS 50 HE1 HIS 50 12.165 35.840 22.846 367 HE2 HIS 50 HE2 HIS 50 9.781 35.005 23.209 368 H LEU 51 H LEU 51 14.251 31.110 28.143 369 HA LEU 51 HA LEU 51 14.932 28.313 27.544 370 HB2 LEU 51 HB2 LEU 51 15.897 30.021 29.848 371 HB3 LEU 51 HB3 LEU 51 16.592 28.518 29.268 372 HG LEU 51 HG LEU 51 16.583 31.173 27.770 373 HD11 LEU 51 HD11 LEU 51 18.046 31.054 29.790 374 HD12 LEU 51 HD12 LEU 51 18.878 29.663 29.058 375 HD13 LEU 51 HD13 LEU 51 18.928 31.256 28.278 376 HD21 LEU 51 HD21 LEU 51 18.147 30.043 26.216 377 HD22 LEU 51 HD22 LEU 51 17.896 28.504 27.077 378 HD23 LEU 51 HD23 LEU 51 16.560 29.279 26.190 379 H TYR 52 H TYR 52 14.665 26.625 28.855 380 HA TYR 52 HA TYR 52 12.485 26.370 30.692 381 HB2 TYR 52 HB2 TYR 52 13.426 24.078 30.957 382 HB3 TYR 52 HB3 TYR 52 13.082 24.553 29.330 383 HD1 TYR 52 HD1 TYR 52 16.344 25.936 30.347 384 HD2 TYR 52 HD2 TYR 52 14.298 22.403 28.937 385 HE1 TYR 52 HE1 TYR 52 18.497 24.988 29.585 386 HE2 TYR 52 HE2 TYR 52 16.455 21.468 28.171 387 HH TYR 52 HH TYR 52 18.767 21.664 28.409 388 H GLU 53 H GLU 53 12.744 25.283 32.818 389 HA GLU 53 HA GLU 53 14.168 26.789 34.735 390 HB2 GLU 53 HB2 GLU 53 13.453 25.137 36.329 391 HB3 GLU 53 HB3 GLU 53 12.171 25.332 35.138 392 HG2 GLU 53 HG2 GLU 53 13.429 23.294 33.971 393 HG3 GLU 53 HG3 GLU 53 14.044 22.999 35.594 394 H GLN 54 H GLN 54 15.360 24.057 32.784 395 HA GLN 54 HA GLN 54 17.604 23.515 34.517 396 HB2 GLN 54 HB2 GLN 54 17.053 22.638 31.658 397 HB3 GLN 54 HB3 GLN 54 18.394 22.091 32.653 398 HG2 GLN 54 HG2 GLN 54 16.918 20.388 32.981 399 HG3 GLN 54 HG3 GLN 54 16.629 21.373 34.409 400 HE21 GLN 54 HE21 GLN 54 13.231 20.646 33.415 401 HE22 GLN 54 HE22 GLN 54 14.553 20.081 34.444 402 H ALA 55 H ALA 55 17.239 26.288 32.722 403 HA ALA 55 HA ALA 55 20.125 26.546 32.017 404 HB1 ALA 55 HB1 ALA 55 17.811 28.527 31.879 405 HB2 ALA 55 HB2 ALA 55 19.472 28.835 31.346 406 HB3 ALA 55 HB3 ALA 55 18.499 27.599 30.529 407 H VAL 56 H VAL 56 21.602 27.718 33.297 408 HA VAL 56 HA VAL 56 20.657 28.418 36.062 409 HB VAL 56 HB VAL 56 23.113 26.847 35.225 410 HG11 VAL 56 HG11 VAL 56 22.240 27.772 37.990 411 HG12 VAL 56 HG12 VAL 56 23.483 26.541 37.680 412 HG13 VAL 56 HG13 VAL 56 23.757 28.192 37.138 413 HG21 VAL 56 HG21 VAL 56 20.630 26.065 36.815 414 HG22 VAL 56 HG22 VAL 56 21.072 25.491 35.190 415 HG23 VAL 56 HG23 VAL 56 22.060 25.043 36.584 416 H VAL 57 H VAL 57 23.600 28.841 34.082 417 HA VAL 57 HA VAL 57 25.117 30.453 33.902 418 HB VAL 57 HB VAL 57 22.865 32.432 34.268 419 HG11 VAL 57 HG11 VAL 57 25.122 33.507 34.259 420 HG12 VAL 57 HG12 VAL 57 25.516 32.626 32.768 421 HG13 VAL 57 HG13 VAL 57 24.226 33.839 32.788 422 HG21 VAL 57 HG21 VAL 57 22.814 32.286 31.738 423 HG22 VAL 57 HG22 VAL 57 23.841 30.852 31.860 424 HG23 VAL 57 HG23 VAL 57 22.206 30.847 32.561 425 H TRP 58 H TRP 58 23.749 32.825 36.128 426 HA TRP 58 HA TRP 58 26.255 33.197 37.223 427 HB2 TRP 58 HB2 TRP 58 23.634 33.973 38.512 428 HB3 TRP 58 HB3 TRP 58 25.214 34.664 38.856 429 HD1 TRP 58 HD1 TRP 58 26.268 36.309 37.066 430 HE1 TRP 58 HE1 TRP 58 25.308 37.652 35.106 431 HE3 TRP 58 HE3 TRP 58 21.768 33.901 36.593 432 HZ2 TRP 58 HZ2 TRP 58 22.920 37.631 33.503 433 HZ3 TRP 58 HZ3 TRP 58 20.167 34.592 34.824 434 HH2 TRP 58 HH2 TRP 58 20.717 36.465 33.291 435 HA PRO 59 HA PRO 59 25.329 30.603 41.146 436 HB2 PRO 59 HB2 PRO 59 23.801 28.325 39.888 437 HB3 PRO 59 HB3 PRO 59 23.698 28.962 41.555 438 HG2 PRO 59 HG2 PRO 59 21.802 29.647 39.755 439 HG3 PRO 59 HG3 PRO 59 22.513 30.919 40.807 440 HD2 PRO 59 HD2 PRO 59 23.291 30.203 37.971 441 HD3 PRO 59 HD3 PRO 59 22.911 31.809 38.645 442 H LEU 60 H LEU 60 26.757 29.970 38.301 443 HA LEU 60 HA LEU 60 28.165 27.504 38.751 444 HB2 LEU 60 HB2 LEU 60 28.336 29.874 36.952 445 HB3 LEU 60 HB3 LEU 60 29.876 29.128 37.291 446 HG LEU 60 HG LEU 60 29.182 27.002 36.424 447 HD11 LEU 60 HD11 LEU 60 26.993 26.619 35.354 448 HD12 LEU 60 HD12 LEU 60 26.806 26.884 37.088 449 HD13 LEU 60 HD13 LEU 60 26.416 28.181 35.939 450 HD21 LEU 60 HD21 LEU 60 28.863 27.612 34.094 451 HD22 LEU 60 HD22 LEU 60 28.224 29.207 34.552 452 HD23 LEU 60 HD23 LEU 60 29.926 28.798 34.856 453 HA PRO 61 HA PRO 61 30.784 28.492 42.039 454 HB2 PRO 61 HB2 PRO 61 32.911 26.807 41.748 455 HB3 PRO 61 HB3 PRO 61 31.241 26.238 42.037 456 HG2 PRO 61 HG2 PRO 61 32.674 26.494 39.374 457 HG3 PRO 61 HG3 PRO 61 31.792 25.070 40.016 458 HD2 PRO 61 HD2 PRO 61 30.615 26.828 38.313 459 HD3 PRO 61 HD3 PRO 61 29.701 26.107 39.672 460 H ASN 62 H ASN 62 32.400 29.116 38.889 461 HA ASN 62 HA ASN 62 34.285 30.944 40.316 462 HB2 ASN 62 HB2 ASN 62 34.812 29.133 37.920 463 HB3 ASN 62 HB3 ASN 62 35.949 30.217 38.689 464 HD21 ASN 62 HD21 ASN 62 36.672 27.942 41.332 465 HD22 ASN 62 HD22 ASN 62 36.415 29.669 41.153 466 H LYS 63 H LYS 63 33.138 30.275 37.016 467 HA LYS 63 HA LYS 63 33.070 31.565 35.173 468 HB2 LYS 63 HB2 LYS 63 31.016 32.553 34.944 469 HB3 LYS 63 HB3 LYS 63 30.825 31.212 36.040 470 HG2 LYS 63 HG2 LYS 63 31.134 34.045 37.122 471 HG3 LYS 63 HG3 LYS 63 29.591 33.469 36.493 472 HD2 LYS 63 HD2 LYS 63 29.540 31.644 38.124 473 HD3 LYS 63 HD3 LYS 63 31.103 32.146 38.779 474 HE2 LYS 63 HE2 LYS 63 30.117 34.401 39.293 475 HE3 LYS 63 HE3 LYS 63 28.555 33.784 38.736 476 HZ1 LYS 63 HZ1 LYS 63 28.512 33.480 40.996 477 HZ2 LYS 63 HZ2 LYS 63 28.892 31.980 40.457 478 HZ3 LYS 63 HZ3 LYS 63 30.067 32.945 41.129 479 H ARG 64 H ARG 64 35.222 32.783 36.568 480 HA ARG 64 HA ARG 64 35.078 35.630 35.601 481 HB2 ARG 64 HB2 ARG 64 37.256 34.167 37.144 482 HB3 ARG 64 HB3 ARG 64 37.340 35.824 36.545 483 HG2 ARG 64 HG2 ARG 64 35.190 36.288 37.901 484 HG3 ARG 64 HG3 ARG 64 35.447 34.706 38.651 485 HD2 ARG 64 HD2 ARG 64 36.370 36.368 40.110 486 HD3 ARG 64 HD3 ARG 64 37.723 35.479 39.383 487 HE ARG 64 HE ARG 64 37.083 37.799 37.808 488 HH11 ARG 64 HH11 ARG 64 38.710 37.077 40.889 489 HH12 ARG 64 HH12 ARG 64 39.892 38.324 40.591 490 HH21 ARG 64 HH21 ARG 64 38.351 39.492 37.736 491 HH22 ARG 64 HH22 ARG 64 39.469 39.878 39.030 492 H CYS 65 H CYS 65 36.084 36.250 33.700 493 HA CYS 65 HA CYS 65 36.678 34.298 31.748 494 HB2 CYS 65 HB2 CYS 65 35.911 36.565 31.229 495 HB3 CYS 65 HB3 CYS 65 37.426 37.234 31.829 496 H LYS 66 H LYS 66 38.297 32.902 31.786 497 HA LYS 66 HA LYS 66 41.019 33.513 32.715 498 HB2 LYS 66 HB2 LYS 66 40.017 31.129 31.101 499 HB3 LYS 66 HB3 LYS 66 41.559 31.270 31.950 500 HG2 LYS 66 HG2 LYS 66 40.215 31.513 34.123 501 HG3 LYS 66 HG3 LYS 66 38.779 31.064 33.179 502 HD2 LYS 66 HD2 LYS 66 40.042 28.969 32.454 503 HD3 LYS 66 HD3 LYS 66 41.296 29.419 33.625 504 HE2 LYS 66 HE2 LYS 66 39.505 29.386 35.424 505 HE3 LYS 66 HE3 LYS 66 38.380 28.785 34.209 506 HZ1 LYS 66 HZ1 LYS 66 40.739 27.430 35.331 507 HZ2 LYS 66 HZ2 LYS 66 39.208 26.844 35.172 508 HZ3 LYS 66 HZ3 LYS 66 40.196 26.985 33.865 509 HN1 NH2 67 HN1 NH2 67 42.940 33.416 31.277 510 HN2 NH2 67 HN2 NH2 67 42.766 34.025 29.641 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 12.452 29.970 29.897 2 H2 LYS 1 H2 LYS 1 11.511 31.317 29.733 3 H3 LYS 1 H3 LYS 1 11.245 30.281 30.961 4 HA LYS 1 HA LYS 1 12.349 32.193 31.815 5 HB2 LYS 1 HB2 LYS 1 12.884 29.730 32.568 6 HB3 LYS 1 HB3 LYS 1 14.457 30.020 31.816 7 HG2 LYS 1 HG2 LYS 1 14.675 32.080 33.263 8 HG3 LYS 1 HG3 LYS 1 13.129 31.666 34.020 9 HD2 LYS 1 HD2 LYS 1 14.173 29.467 34.766 10 HD3 LYS 1 HD3 LYS 1 15.722 30.059 34.112 11 HE2 LYS 1 HE2 LYS 1 15.441 32.126 35.549 12 HE3 LYS 1 HE3 LYS 1 14.040 31.360 36.309 13 HZ1 LYS 1 HZ1 LYS 1 16.135 31.116 37.540 14 HZ2 LYS 1 HZ2 LYS 1 15.506 29.646 37.197 15 HZ3 LYS 1 HZ3 LYS 1 16.794 30.206 36.346 16 H GLU 2 H GLU 2 13.883 33.826 31.601 17 HA GLU 2 HA GLU 2 15.519 33.914 29.104 18 HB2 GLU 2 HB2 GLU 2 14.978 36.018 31.241 19 HB3 GLU 2 HB3 GLU 2 15.991 36.218 29.817 20 HG2 GLU 2 HG2 GLU 2 13.992 37.232 29.229 21 HG3 GLU 2 HG3 GLU 2 14.004 35.700 28.358 22 H GLY 3 H GLY 3 17.830 34.841 29.378 23 HA2 GLY 3 HA2 GLY 3 19.226 34.547 31.882 24 HA3 GLY 3 HA3 GLY 3 19.477 33.132 30.855 25 H TYR 4 H TYR 4 21.792 34.246 31.346 26 HA TYR 4 HA TYR 4 22.425 36.041 29.012 27 HB2 TYR 4 HB2 TYR 4 22.527 37.222 31.176 28 HB3 TYR 4 HB3 TYR 4 23.684 36.045 31.769 29 HD1 TYR 4 HD1 TYR 4 23.209 38.399 28.847 30 HD2 TYR 4 HD2 TYR 4 25.967 36.661 31.676 31 HE1 TYR 4 HE1 TYR 4 24.980 39.965 28.097 32 HE2 TYR 4 HE2 TYR 4 27.737 38.232 30.903 33 HH TYR 4 HH TYR 4 28.262 39.950 29.507 34 H LEU 5 H LEU 5 23.976 35.294 27.593 35 HA LEU 5 HA LEU 5 24.716 32.543 27.903 36 HB2 LEU 5 HB2 LEU 5 24.185 33.537 25.719 37 HB3 LEU 5 HB3 LEU 5 25.615 34.559 25.820 38 HG LEU 5 HG LEU 5 27.089 32.599 25.763 39 HD11 LEU 5 HD11 LEU 5 24.498 31.020 25.711 40 HD12 LEU 5 HD12 LEU 5 26.032 30.368 25.095 41 HD13 LEU 5 HD13 LEU 5 25.903 30.831 26.785 42 HD21 LEU 5 HD21 LEU 5 26.362 33.604 23.618 43 HD22 LEU 5 HD22 LEU 5 26.699 31.879 23.486 44 HD23 LEU 5 HD23 LEU 5 25.013 32.445 23.551 45 H VAL 6 H VAL 6 26.223 31.760 29.078 46 HA VAL 6 HA VAL 6 29.007 32.642 28.929 47 HB VAL 6 HB VAL 6 28.056 34.017 30.775 48 HG11 VAL 6 HG11 VAL 6 27.680 31.388 32.265 49 HG12 VAL 6 HG12 VAL 6 27.474 33.024 32.916 50 HG13 VAL 6 HG13 VAL 6 26.369 32.431 31.666 51 HG21 VAL 6 HG21 VAL 6 30.443 33.379 30.730 52 HG22 VAL 6 HG22 VAL 6 29.818 33.575 32.376 53 HG23 VAL 6 HG23 VAL 6 30.056 31.946 31.718 54 H ASP 7 H ASP 7 30.458 30.916 29.422 55 HA ASP 7 HA ASP 7 29.252 28.219 29.403 56 HB2 ASP 7 HB2 ASP 7 31.102 28.477 27.964 57 HB3 ASP 7 HB3 ASP 7 32.079 29.244 29.201 58 H TYR 8 H TYR 8 28.501 27.473 31.220 59 HA TYR 8 HA TYR 8 29.012 28.518 33.780 60 HB2 TYR 8 HB2 TYR 8 27.804 26.504 34.624 61 HB3 TYR 8 HB3 TYR 8 26.994 27.418 33.388 62 HD1 TYR 8 HD1 TYR 8 29.120 24.328 33.828 63 HD2 TYR 8 HD2 TYR 8 26.001 26.300 31.584 64 HE1 TYR 8 HE1 TYR 8 28.726 22.250 32.527 65 HE2 TYR 8 HE2 TYR 8 25.601 24.215 30.311 66 HH TYR 8 HH TYR 8 26.147 21.985 30.056 67 H HIS 9 H HIS 9 30.959 26.079 32.144 68 HA HIS 9 HA HIS 9 32.169 25.091 34.655 69 HB2 HIS 9 HB2 HIS 9 31.816 23.606 32.696 70 HB3 HIS 9 HB3 HIS 9 32.957 24.586 31.763 71 HD2 HIS 9 HD2 HIS 9 32.836 22.227 34.848 72 HE1 HIS 9 HE1 HIS 9 36.940 22.655 33.797 73 HE2 HIS 9 HE2 HIS 9 35.301 21.509 35.392 74 H THR 10 H THR 10 33.124 27.165 31.946 75 HA THR 10 HA THR 10 35.086 28.629 33.634 76 HB THR 10 HB THR 10 36.664 28.625 31.610 77 HG1 THR 10 HG1 THR 10 35.049 27.506 30.279 78 HG21 THR 10 HG21 THR 10 36.330 26.004 33.120 79 HG22 THR 10 HG22 THR 10 37.817 26.607 32.361 80 HG23 THR 10 HG23 THR 10 37.137 27.452 33.749 81 H GLY 11 H GLY 11 34.165 30.535 33.585 82 HA2 GLY 11 HA2 GLY 11 32.125 31.289 31.796 83 HA3 GLY 11 HA3 GLY 11 32.792 32.280 33.084 84 H CYS 12 H CYS 12 33.876 31.132 29.848 85 HA CYS 12 HA CYS 12 35.108 33.659 29.176 86 HB2 CYS 12 HB2 CYS 12 35.192 31.110 28.160 87 HB3 CYS 12 HB3 CYS 12 34.167 31.915 26.964 88 H LYS 13 H LYS 13 34.398 35.339 27.900 89 HA LYS 13 HA LYS 13 31.548 35.903 27.874 90 HB2 LYS 13 HB2 LYS 13 32.179 38.065 26.956 91 HB3 LYS 13 HB3 LYS 13 33.200 37.641 28.330 92 HG2 LYS 13 HG2 LYS 13 34.917 36.799 26.570 93 HG3 LYS 13 HG3 LYS 13 33.948 37.647 25.372 94 HD2 LYS 13 HD2 LYS 13 35.092 38.957 27.876 95 HD3 LYS 13 HD3 LYS 13 35.963 38.858 26.348 96 HE2 LYS 13 HE2 LYS 13 34.084 40.145 25.254 97 HE3 LYS 13 HE3 LYS 13 33.350 40.327 26.855 98 HZ1 LYS 13 HZ1 LYS 13 35.972 41.366 25.944 99 HZ2 LYS 13 HZ2 LYS 13 34.715 42.266 26.455 100 HZ3 LYS 13 HZ3 LYS 13 35.531 41.375 27.538 101 H TYR 14 H TYR 14 30.178 36.231 26.172 102 HA TYR 14 HA TYR 14 30.975 35.179 23.486 103 HB2 TYR 14 HB2 TYR 14 28.461 34.508 25.035 104 HB3 TYR 14 HB3 TYR 14 28.708 34.178 23.319 105 HD1 TYR 14 HD1 TYR 14 30.674 32.715 22.596 106 HD2 TYR 14 HD2 TYR 14 29.364 32.965 26.692 107 HE1 TYR 14 HE1 TYR 14 31.958 30.664 23.131 108 HE2 TYR 14 HE2 TYR 14 30.611 30.855 27.212 109 HH TYR 14 HH TYR 14 32.700 29.289 24.753 110 H THR 15 H THR 15 31.325 37.105 22.675 111 HA THR 15 HA THR 15 29.796 39.472 23.257 112 HB THR 15 HB THR 15 31.426 40.570 21.782 113 HG1 THR 15 HG1 THR 15 31.828 39.212 20.183 114 HG21 THR 15 HG21 THR 15 32.106 39.990 24.115 115 HG22 THR 15 HG22 THR 15 32.834 38.483 23.497 116 HG23 THR 15 HG23 THR 15 33.460 40.053 22.969 117 H CYS 16 H CYS 16 29.122 41.002 21.583 118 HA CYS 16 HA CYS 16 28.156 39.823 19.025 119 HB2 CYS 16 HB2 CYS 16 26.596 41.677 20.862 120 HB3 CYS 16 HB3 CYS 16 26.210 41.411 19.172 121 H ALA 17 H ALA 17 28.430 41.104 17.259 122 HA ALA 17 HA ALA 17 30.353 43.303 17.402 123 HB1 ALA 17 HB1 ALA 17 28.760 42.105 15.083 124 HB2 ALA 17 HB2 ALA 17 30.134 43.219 14.945 125 HB3 ALA 17 HB3 ALA 17 30.377 41.590 15.606 126 H LYS 18 H LYS 18 26.859 42.951 16.840 127 HA LYS 18 HA LYS 18 26.393 45.849 17.224 128 HB2 LYS 18 HB2 LYS 18 25.250 46.146 15.110 129 HB3 LYS 18 HB3 LYS 18 26.902 45.614 14.824 130 HG2 LYS 18 HG2 LYS 18 25.991 43.247 14.495 131 HG3 LYS 18 HG3 LYS 18 24.364 43.939 14.592 132 HD2 LYS 18 HD2 LYS 18 25.016 45.483 12.665 133 HD3 LYS 18 HD3 LYS 18 26.530 44.563 12.541 134 HE2 LYS 18 HE2 LYS 18 25.079 42.458 12.311 135 HE3 LYS 18 HE3 LYS 18 23.681 43.542 12.175 136 HZ1 LYS 18 HZ1 LYS 18 26.000 43.360 10.340 137 HZ2 LYS 18 HZ2 LYS 18 24.462 43.001 9.986 138 HZ3 LYS 18 HZ3 LYS 18 24.887 44.573 10.232 139 H LEU 19 H LEU 19 24.019 46.366 17.189 140 HA LEU 19 HA LEU 19 22.435 44.347 18.652 141 HB2 LEU 19 HB2 LEU 19 21.824 47.148 17.634 142 HB3 LEU 19 HB3 LEU 19 20.649 46.157 18.493 143 HG LEU 19 HG LEU 19 23.333 47.004 19.672 144 HD11 LEU 19 HD11 LEU 19 22.072 48.625 20.960 145 HD12 LEU 19 HD12 LEU 19 21.795 48.905 19.236 146 HD13 LEU 19 HD13 LEU 19 20.542 48.097 20.202 147 HD21 LEU 19 HD21 LEU 19 20.844 45.734 20.919 148 HD22 LEU 19 HD22 LEU 19 22.438 44.970 20.745 149 HD23 LEU 19 HD23 LEU 19 22.242 46.355 21.823 150 H GLY 20 H GLY 20 20.314 43.636 17.927 151 HA2 GLY 20 HA2 GLY 20 18.691 42.971 16.490 152 HA3 GLY 20 HA3 GLY 20 19.338 44.070 15.279 153 H ASP 21 H ASP 21 21.900 42.050 15.903 154 HA ASP 21 HA ASP 21 21.130 40.101 13.800 155 HB2 ASP 21 HB2 ASP 21 23.322 41.289 13.677 156 HB3 ASP 21 HB3 ASP 21 23.829 40.435 15.137 157 H ASN 22 H ASN 22 19.458 39.604 15.642 158 HA ASN 22 HA ASN 22 20.264 38.046 17.893 159 HB2 ASN 22 HB2 ASN 22 17.873 37.455 18.023 160 HB3 ASN 22 HB3 ASN 22 18.091 39.184 17.771 161 HD21 ASN 22 HD21 ASN 22 15.753 37.225 15.224 162 HD22 ASN 22 HD22 ASN 22 16.209 36.616 16.815 163 H ASP 23 H ASP 23 19.602 37.147 14.543 164 HA ASP 23 HA ASP 23 19.423 34.366 14.613 165 HB2 ASP 23 HB2 ASP 23 19.040 35.625 12.638 166 HB3 ASP 23 HB3 ASP 23 20.614 36.420 12.733 167 H TYR 24 H TYR 24 22.459 36.317 14.806 168 HA TYR 24 HA TYR 24 24.238 34.026 14.817 169 HB2 TYR 24 HB2 TYR 24 25.330 35.978 14.260 170 HB3 TYR 24 HB3 TYR 24 24.435 36.959 15.397 171 HD1 TYR 24 HD1 TYR 24 25.138 37.308 17.642 172 HD2 TYR 24 HD2 TYR 24 27.327 34.634 15.071 173 HE1 TYR 24 HE1 TYR 24 26.976 37.215 19.312 174 HE2 TYR 24 HE2 TYR 24 29.185 34.559 16.744 175 HH TYR 24 HH TYR 24 29.143 36.650 19.628 176 H CYS 25 H CYS 25 22.738 35.938 17.454 177 HA CYS 25 HA CYS 25 24.065 34.470 19.570 178 HB2 CYS 25 HB2 CYS 25 23.469 36.718 19.958 179 HB3 CYS 25 HB3 CYS 25 21.806 36.461 19.439 180 H VAL 26 H VAL 26 20.862 34.087 18.003 181 HA VAL 26 HA VAL 26 19.779 32.073 19.692 182 HB VAL 26 HB VAL 26 19.548 32.506 16.690 183 HG11 VAL 26 HG11 VAL 26 19.027 30.153 17.024 184 HG12 VAL 26 HG12 VAL 26 18.012 30.533 18.435 185 HG13 VAL 26 HG13 VAL 26 17.518 31.036 16.808 186 HG21 VAL 26 HG21 VAL 26 17.350 33.398 17.211 187 HG22 VAL 26 HG22 VAL 26 17.522 32.965 18.920 188 HG23 VAL 26 HG23 VAL 26 18.529 34.240 18.216 189 H ARG 27 H ARG 27 21.984 31.667 16.854 190 HA ARG 27 HA ARG 27 22.392 28.850 17.266 191 HB2 ARG 27 HB2 ARG 27 23.806 30.998 15.700 192 HB3 ARG 27 HB3 ARG 27 24.597 29.438 15.961 193 HG2 ARG 27 HG2 ARG 27 22.563 28.279 15.061 194 HG3 ARG 27 HG3 ARG 27 21.874 29.856 14.667 195 HD2 ARG 27 HD2 ARG 27 24.498 28.712 13.592 196 HD3 ARG 27 HD3 ARG 27 22.979 28.721 12.714 197 HE ARG 27 HE ARG 27 24.844 30.930 13.003 198 HH11 ARG 27 HH11 ARG 27 21.419 30.340 12.495 199 HH12 ARG 27 HH12 ARG 27 21.163 32.016 12.033 200 HH21 ARG 27 HH21 ARG 27 24.479 32.863 12.276 201 HH22 ARG 27 HH22 ARG 27 22.870 33.372 11.730 202 H GLU 28 H GLU 28 24.377 31.645 18.438 203 HA GLU 28 HA GLU 28 26.322 29.948 19.663 204 HB2 GLU 28 HB2 GLU 28 25.389 32.709 20.498 205 HB3 GLU 28 HB3 GLU 28 26.800 31.899 21.168 206 HG2 GLU 28 HG2 GLU 28 26.481 32.954 18.366 207 HG3 GLU 28 HG3 GLU 28 27.629 33.441 19.608 208 H CYS 29 H CYS 29 23.254 31.185 21.098 209 HA CYS 29 HA CYS 29 23.830 30.109 23.706 210 HB2 CYS 29 HB2 CYS 29 22.210 31.955 23.223 211 HB3 CYS 29 HB3 CYS 29 21.143 30.788 22.445 212 H ARG 30 H ARG 30 21.860 28.833 20.963 213 HA ARG 30 HA ARG 30 21.220 26.387 22.381 214 HB2 ARG 30 HB2 ARG 30 19.959 25.787 20.524 215 HB3 ARG 30 HB3 ARG 30 19.858 27.542 20.602 216 HG2 ARG 30 HG2 ARG 30 21.771 27.552 18.875 217 HG3 ARG 30 HG3 ARG 30 21.427 25.846 18.627 218 HD2 ARG 30 HD2 ARG 30 19.392 28.116 18.347 219 HD3 ARG 30 HD3 ARG 30 20.281 27.387 17.007 220 HE ARG 30 HE ARG 30 18.424 25.807 18.778 221 HH11 ARG 30 HH11 ARG 30 19.098 26.811 15.479 222 HH12 ARG 30 HH12 ARG 30 18.201 25.471 14.834 223 HH21 ARG 30 HH21 ARG 30 17.315 24.221 17.891 224 HH22 ARG 30 HH22 ARG 30 17.406 23.915 16.150 225 H LEU 31 H LEU 31 23.991 27.237 20.421 226 HA LEU 31 HA LEU 31 24.927 24.442 20.301 227 HB2 LEU 31 HB2 LEU 31 26.232 27.121 19.705 228 HB3 LEU 31 HB3 LEU 31 27.077 25.587 19.537 229 HG LEU 31 HG LEU 31 24.498 26.208 18.031 230 HD11 LEU 31 HD11 LEU 31 25.934 26.680 16.092 231 HD12 LEU 31 HD12 LEU 31 26.272 27.818 17.408 232 HD13 LEU 31 HD13 LEU 31 27.388 26.473 17.091 233 HD21 LEU 31 HD21 LEU 31 26.669 24.108 17.593 234 HD22 LEU 31 HD22 LEU 31 25.021 23.800 18.187 235 HD23 LEU 31 HD23 LEU 31 25.264 24.393 16.545 236 H ARG 32 H ARG 32 24.984 26.904 22.757 237 HA ARG 32 HA ARG 32 27.289 25.678 24.152 238 HB2 ARG 32 HB2 ARG 32 26.738 28.207 23.958 239 HB3 ARG 32 HB3 ARG 32 25.498 27.921 25.161 240 HG2 ARG 32 HG2 ARG 32 27.564 28.806 26.162 241 HG3 ARG 32 HG3 ARG 32 27.190 27.206 26.789 242 HD2 ARG 32 HD2 ARG 32 29.606 27.538 26.351 243 HD3 ARG 32 HD3 ARG 32 28.917 26.187 25.448 244 HE ARG 32 HE ARG 32 28.896 28.595 23.840 245 HH11 ARG 32 HH11 ARG 32 31.144 26.110 24.930 246 HH12 ARG 32 HH12 ARG 32 32.037 26.193 23.434 247 HH21 ARG 32 HH21 ARG 32 30.114 28.719 22.107 248 HH22 ARG 32 HH22 ARG 32 31.627 27.821 21.969 249 H TYR 33 H TYR 33 23.790 25.863 24.532 250 HA TYR 33 HA TYR 33 23.977 24.029 26.899 251 HB2 TYR 33 HB2 TYR 33 21.683 25.845 26.166 252 HB3 TYR 33 HB3 TYR 33 21.882 24.933 27.657 253 HD1 TYR 33 HD1 TYR 33 24.804 25.605 28.277 254 HD2 TYR 33 HD2 TYR 33 21.488 28.024 26.937 255 HE1 TYR 33 HE1 TYR 33 25.929 27.631 29.173 256 HE2 TYR 33 HE2 TYR 33 22.629 30.056 27.851 257 HH TYR 33 HH TYR 33 25.827 29.868 29.439 258 H TYR 34 H TYR 34 21.307 24.596 24.575 259 HA TYR 34 HA TYR 34 21.219 21.843 23.703 260 HB2 TYR 34 HB2 TYR 34 19.215 21.154 24.697 261 HB3 TYR 34 HB3 TYR 34 20.227 21.713 26.007 262 HD1 TYR 34 HD1 TYR 34 16.985 21.420 25.206 263 HD2 TYR 34 HD2 TYR 34 19.752 24.529 26.354 264 HE1 TYR 34 HE1 TYR 34 15.123 22.742 26.168 265 HE2 TYR 34 HE2 TYR 34 17.887 25.887 27.224 266 HH TYR 34 HH TYR 34 14.494 24.860 26.834 267 H GLN 35 H GLN 35 19.643 21.482 22.066 268 HA GLN 35 HA GLN 35 19.711 23.568 20.234 269 HB2 GLN 35 HB2 GLN 35 18.762 22.102 18.708 270 HB3 GLN 35 HB3 GLN 35 19.759 21.142 19.783 271 HG2 GLN 35 HG2 GLN 35 16.707 21.313 19.983 272 HG3 GLN 35 HG3 GLN 35 17.563 20.136 19.015 273 HE21 GLN 35 HE21 GLN 35 16.860 18.199 21.948 274 HE22 GLN 35 HE22 GLN 35 16.054 18.805 20.504 275 H SER 36 H SER 36 17.030 22.844 22.429 276 HA SER 36 HA SER 36 15.046 24.351 20.980 277 HB2 SER 36 HB2 SER 36 15.091 23.739 23.944 278 HB3 SER 36 HB3 SER 36 13.681 24.046 22.930 279 HG SER 36 HG SER 36 14.156 22.122 21.793 280 H ALA 37 H ALA 37 17.778 25.497 22.716 281 HA ALA 37 HA ALA 37 16.545 27.768 23.993 282 HB1 ALA 37 HB1 ALA 37 19.432 27.383 23.146 283 HB2 ALA 37 HB2 ALA 37 18.829 28.537 24.347 284 HB3 ALA 37 HB3 ALA 37 18.720 26.794 24.663 285 H HIS 38 H HIS 38 16.872 30.009 23.558 286 HA HIS 38 HA HIS 38 17.278 30.898 20.741 287 HB2 HIS 38 HB2 HIS 38 14.841 31.122 22.472 288 HB3 HIS 38 HB3 HIS 38 15.297 32.561 21.588 289 HD2 HIS 38 HD2 HIS 38 12.973 29.947 21.141 290 HE1 HIS 38 HE1 HIS 38 14.023 31.141 17.182 291 HE2 HIS 38 HE2 HIS 38 12.299 29.892 18.590 292 H GLY 39 H GLY 39 17.229 33.487 20.839 293 HA2 GLY 39 HA2 GLY 39 17.846 34.870 23.174 294 HA3 GLY 39 HA3 GLY 39 19.400 34.378 22.500 295 H TYR 40 H TYR 40 19.393 36.870 22.679 296 HA TYR 40 HA TYR 40 19.508 37.763 19.943 297 HB2 TYR 40 HB2 TYR 40 18.287 39.842 20.154 298 HB3 TYR 40 HB3 TYR 40 17.242 38.476 20.363 299 HD1 TYR 40 HD1 TYR 40 18.886 41.332 22.051 300 HD2 TYR 40 HD2 TYR 40 16.044 38.113 22.473 301 HE1 TYR 40 HE1 TYR 40 18.039 42.353 24.156 302 HE2 TYR 40 HE2 TYR 40 15.191 39.160 24.571 303 HH TYR 40 HH TYR 40 16.730 42.055 25.989 304 H CYS 41 H CYS 41 20.598 39.929 19.749 305 HA CYS 41 HA CYS 41 22.917 39.956 21.612 306 HB2 CYS 41 HB2 CYS 41 22.364 41.148 18.889 307 HB3 CYS 41 HB3 CYS 41 23.689 41.736 19.887 308 H TYR 42 H TYR 42 23.267 41.487 23.120 309 HA TYR 42 HA TYR 42 22.045 44.142 22.926 310 HB2 TYR 42 HB2 TYR 42 20.339 42.540 24.014 311 HB3 TYR 42 HB3 TYR 42 21.430 42.463 25.386 312 HD1 TYR 42 HD1 TYR 42 21.402 44.261 27.032 313 HD2 TYR 42 HD2 TYR 42 19.502 44.767 23.186 314 HE1 TYR 42 HE1 TYR 42 20.442 46.439 27.783 315 HE2 TYR 42 HE2 TYR 42 18.552 46.923 23.932 316 HH TYR 42 HH TYR 42 18.413 48.424 25.574 317 H ALA 43 H ALA 43 23.261 45.716 24.057 318 HA ALA 43 HA ALA 43 25.170 46.561 24.964 319 HB1 ALA 43 HB1 ALA 43 24.474 44.514 27.104 320 HB2 ALA 43 HB2 ALA 43 25.482 45.960 27.323 321 HB3 ALA 43 HB3 ALA 43 23.767 46.135 26.920 322 H PHE 44 H PHE 44 25.873 44.948 22.950 323 HA PHE 44 HA PHE 44 27.449 43.767 21.931 324 HB2 PHE 44 HB2 PHE 44 29.300 44.769 24.097 325 HB3 PHE 44 HB3 PHE 44 29.756 44.216 22.491 326 HD1 PHE 44 HD1 PHE 44 28.721 47.059 24.444 327 HD2 PHE 44 HD2 PHE 44 28.770 45.463 20.436 328 HE1 PHE 44 HE1 PHE 44 28.259 49.318 23.539 329 HE2 PHE 44 HE2 PHE 44 28.324 47.735 19.532 330 HZ PHE 44 HZ PHE 44 28.050 49.659 21.086 331 H ALA 45 H ALA 45 25.908 42.198 23.883 332 HA ALA 45 HA ALA 45 27.625 39.785 23.862 333 HB1 ALA 45 HB1 ALA 45 28.051 40.861 26.034 334 HB2 ALA 45 HB2 ALA 45 26.304 40.956 26.345 335 HB3 ALA 45 HB3 ALA 45 27.110 39.378 26.255 336 H CYS 46 H CYS 46 26.414 37.783 24.276 337 HA CYS 46 HA CYS 46 23.729 37.933 23.050 338 HB2 CYS 46 HB2 CYS 46 25.331 36.429 22.140 339 HB3 CYS 46 HB3 CYS 46 25.619 35.691 23.706 340 H TRP 47 H TRP 47 21.888 37.916 24.084 341 HA TRP 47 HA TRP 47 21.620 36.988 26.918 342 HB2 TRP 47 HB2 TRP 47 21.006 39.312 26.552 343 HB3 TRP 47 HB3 TRP 47 20.009 38.884 25.175 344 HD1 TRP 47 HD1 TRP 47 17.585 38.184 25.581 345 HE1 TRP 47 HE1 TRP 47 15.985 38.368 27.583 346 HE3 TRP 47 HE3 TRP 47 21.026 38.891 29.308 347 HZ2 TRP 47 HZ2 TRP 47 16.189 38.586 30.448 348 HZ3 TRP 47 HZ3 TRP 47 20.295 39.067 31.669 349 HH2 TRP 47 HH2 TRP 47 17.886 38.911 32.257 350 H CYS 48 H CYS 48 20.309 35.231 27.295 351 HA CYS 48 HA CYS 48 19.362 33.707 24.916 352 HB2 CYS 48 HB2 CYS 48 20.084 32.898 27.735 353 HB3 CYS 48 HB3 CYS 48 19.295 31.821 26.594 354 H THR 49 H THR 49 17.313 32.751 24.886 355 HA THR 49 HA THR 49 15.306 33.518 26.945 356 HB THR 49 HB THR 49 13.721 34.275 25.284 357 HG1 THR 49 HG1 THR 49 14.175 33.361 23.452 358 HG21 THR 49 HG21 THR 49 14.663 36.393 24.639 359 HG22 THR 49 HG22 THR 49 15.263 35.990 26.258 360 HG23 THR 49 HG23 THR 49 16.319 35.799 24.841 361 H HIS 50 H HIS 50 13.192 32.464 26.527 362 HA HIS 50 HA HIS 50 11.910 30.669 26.533 363 HB2 HIS 50 HB2 HIS 50 13.410 29.803 24.054 364 HB3 HIS 50 HB3 HIS 50 11.795 29.298 24.549 365 HD2 HIS 50 HD2 HIS 50 9.768 30.933 24.129 366 HE1 HIS 50 HE1 HIS 50 11.910 34.062 22.195 367 HE2 HIS 50 HE2 HIS 50 9.590 33.162 22.742 368 H LEU 51 H LEU 51 14.752 30.330 27.752 369 HA LEU 51 HA LEU 51 15.471 27.591 27.731 370 HB2 LEU 51 HB2 LEU 51 15.886 29.572 29.994 371 HB3 LEU 51 HB3 LEU 51 16.823 28.124 29.686 372 HG LEU 51 HG LEU 51 16.788 30.615 27.917 373 HD11 LEU 51 HD11 LEU 51 19.073 30.934 28.800 374 HD12 LEU 51 HD12 LEU 51 17.864 30.982 30.091 375 HD13 LEU 51 HD13 LEU 51 18.868 29.529 29.863 376 HD21 LEU 51 HD21 LEU 51 18.537 28.115 27.790 377 HD22 LEU 51 HD22 LEU 51 17.276 28.568 26.610 378 HD23 LEU 51 HD23 LEU 51 18.717 29.571 26.788 379 H TYR 52 H TYR 52 15.300 25.989 29.404 380 HA TYR 52 HA TYR 52 12.745 25.490 30.343 381 HB2 TYR 52 HB2 TYR 52 13.634 23.685 31.668 382 HB3 TYR 52 HB3 TYR 52 14.312 23.699 30.088 383 HD1 TYR 52 HD1 TYR 52 15.022 23.095 33.384 384 HD2 TYR 52 HD2 TYR 52 16.774 24.840 29.859 385 HE1 TYR 52 HE1 TYR 52 17.303 22.753 34.348 386 HE2 TYR 52 HE2 TYR 52 19.041 24.478 30.815 387 HH TYR 52 HH TYR 52 19.565 22.874 33.971 388 H GLU 53 H GLU 53 11.694 25.395 32.299 389 HA GLU 53 HA GLU 53 11.951 27.783 33.828 390 HB2 GLU 53 HB2 GLU 53 10.102 27.036 35.080 391 HB3 GLU 53 HB3 GLU 53 9.838 26.575 33.402 392 HG2 GLU 53 HG2 GLU 53 10.414 24.223 33.971 393 HG3 GLU 53 HG3 GLU 53 10.773 24.706 35.638 394 H GLN 54 H GLN 54 13.856 25.012 34.157 395 HA GLN 54 HA GLN 54 14.500 25.704 37.006 396 HB2 GLN 54 HB2 GLN 54 15.244 23.144 35.563 397 HB3 GLN 54 HB3 GLN 54 15.507 23.570 37.239 398 HG2 GLN 54 HG2 GLN 54 12.964 23.716 37.491 399 HG3 GLN 54 HG3 GLN 54 12.852 22.974 35.891 400 HE21 GLN 54 HE21 GLN 54 12.635 20.125 38.176 401 HE22 GLN 54 HE22 GLN 54 11.625 21.385 37.482 402 H ALA 55 H ALA 55 15.582 26.677 34.052 403 HA ALA 55 HA ALA 55 18.322 26.035 34.047 404 HB1 ALA 55 HB1 ALA 55 18.525 27.823 32.390 405 HB2 ALA 55 HB2 ALA 55 17.049 26.882 32.103 406 HB3 ALA 55 HB3 ALA 55 16.942 28.479 32.864 407 H VAL 56 H VAL 56 20.084 26.773 34.983 408 HA VAL 56 HA VAL 56 20.223 29.237 36.575 409 HB VAL 56 HB VAL 56 18.984 27.779 38.000 410 HG11 VAL 56 HG11 VAL 56 21.270 25.794 37.853 411 HG12 VAL 56 HG12 VAL 56 19.893 25.739 38.974 412 HG13 VAL 56 HG13 VAL 56 19.635 25.579 37.234 413 HG21 VAL 56 HG21 VAL 56 21.796 28.093 39.109 414 HG22 VAL 56 HG22 VAL 56 20.553 29.363 39.029 415 HG23 VAL 56 HG23 VAL 56 20.288 27.921 40.017 416 H VAL 57 H VAL 57 21.577 29.120 34.514 417 HA VAL 57 HA VAL 57 24.066 27.730 34.378 418 HB VAL 57 HB VAL 57 23.141 30.362 33.145 419 HG11 VAL 57 HG11 VAL 57 24.830 30.169 31.487 420 HG12 VAL 57 HG12 VAL 57 25.624 30.226 33.037 421 HG13 VAL 57 HG13 VAL 57 25.465 28.666 32.192 422 HG21 VAL 57 HG21 VAL 57 22.739 29.018 31.124 423 HG22 VAL 57 HG22 VAL 57 23.218 27.545 31.995 424 HG23 VAL 57 HG23 VAL 57 21.758 28.433 32.470 425 H TRP 58 H TRP 58 23.186 30.693 36.022 426 HA TRP 58 HA TRP 58 25.837 31.748 36.150 427 HB2 TRP 58 HB2 TRP 58 23.326 32.866 37.367 428 HB3 TRP 58 HB3 TRP 58 24.823 33.730 36.962 429 HD1 TRP 58 HD1 TRP 58 25.367 33.962 34.304 430 HE1 TRP 58 HE1 TRP 58 24.022 33.562 32.155 431 HE3 TRP 58 HE3 TRP 58 21.116 31.962 36.369 432 HZ2 TRP 58 HZ2 TRP 58 21.557 32.271 31.420 433 HZ3 TRP 58 HZ3 TRP 58 19.304 31.119 34.909 434 HH2 TRP 58 HH2 TRP 58 19.514 31.245 32.441 435 HA PRO 59 HA PRO 59 27.424 32.723 40.370 436 HB2 PRO 59 HB2 PRO 59 25.574 30.478 41.226 437 HB3 PRO 59 HB3 PRO 59 26.593 31.537 42.275 438 HG2 PRO 59 HG2 PRO 59 24.040 32.258 41.615 439 HG3 PRO 59 HG3 PRO 59 25.359 33.463 41.711 440 HD2 PRO 59 HD2 PRO 59 23.932 32.477 39.364 441 HD3 PRO 59 HD3 PRO 59 25.007 33.891 39.483 442 H LEU 60 H LEU 60 28.832 32.113 38.520 443 HA LEU 60 HA LEU 60 29.501 29.378 38.053 444 HB2 LEU 60 HB2 LEU 60 30.600 32.049 37.215 445 HB3 LEU 60 HB3 LEU 60 31.624 30.632 37.019 446 HG LEU 60 HG LEU 60 29.839 29.486 35.740 447 HD11 LEU 60 HD11 LEU 60 27.845 30.650 36.487 448 HD12 LEU 60 HD12 LEU 60 28.445 32.186 35.825 449 HD13 LEU 60 HD13 LEU 60 28.017 30.843 34.743 450 HD21 LEU 60 HD21 LEU 60 30.169 30.747 33.689 451 HD22 LEU 60 HD22 LEU 60 30.668 32.180 34.603 452 HD23 LEU 60 HD23 LEU 60 31.667 30.694 34.621 453 HA PRO 61 HA PRO 61 32.057 28.781 41.628 454 HB2 PRO 61 HB2 PRO 61 33.069 26.273 41.144 455 HB3 PRO 61 HB3 PRO 61 31.358 26.590 41.555 456 HG2 PRO 61 HG2 PRO 61 32.564 26.250 38.788 457 HG3 PRO 61 HG3 PRO 61 31.128 25.421 39.479 458 HD2 PRO 61 HD2 PRO 61 30.861 27.613 37.915 459 HD3 PRO 61 HD3 PRO 61 29.816 27.389 39.349 460 H ASN 62 H ASN 62 33.557 28.867 38.431 461 HA ASN 62 HA ASN 62 36.107 29.684 39.767 462 HB2 ASN 62 HB2 ASN 62 35.623 27.775 37.462 463 HB3 ASN 62 HB3 ASN 62 37.117 28.677 37.576 464 HD21 ASN 62 HD21 ASN 62 37.282 25.351 39.430 465 HD22 ASN 62 HD22 ASN 62 36.535 25.736 37.872 466 H LYS 63 H LYS 63 33.864 30.282 37.129 467 HA LYS 63 HA LYS 63 33.351 32.043 35.968 468 HB2 LYS 63 HB2 LYS 63 33.255 32.974 38.269 469 HB3 LYS 63 HB3 LYS 63 34.920 33.535 38.120 470 HG2 LYS 63 HG2 LYS 63 33.386 35.385 37.836 471 HG3 LYS 63 HG3 LYS 63 34.274 35.096 36.343 472 HD2 LYS 63 HD2 LYS 63 32.065 33.541 35.894 473 HD3 LYS 63 HD3 LYS 63 31.352 34.736 36.957 474 HE2 LYS 63 HE2 LYS 63 32.914 35.200 34.392 475 HE3 LYS 63 HE3 LYS 63 31.150 35.231 34.532 476 HZ1 LYS 63 HZ1 LYS 63 31.357 37.127 36.050 477 HZ2 LYS 63 HZ2 LYS 63 32.981 37.127 35.913 478 HZ3 LYS 63 HZ3 LYS 63 32.072 37.486 34.597 479 H ARG 64 H ARG 64 36.759 31.936 36.313 480 HA ARG 64 HA ARG 64 37.460 33.703 34.111 481 HB2 ARG 64 HB2 ARG 64 39.052 31.362 35.233 482 HB3 ARG 64 HB3 ARG 64 39.686 32.678 34.258 483 HG2 ARG 64 HG2 ARG 64 38.588 32.882 37.088 484 HG3 ARG 64 HG3 ARG 64 40.269 32.910 36.627 485 HD2 ARG 64 HD2 ARG 64 38.144 35.020 36.114 486 HD3 ARG 64 HD3 ARG 64 39.548 35.161 37.164 487 HE ARG 64 HE ARG 64 39.443 35.902 34.451 488 HH11 ARG 64 HH11 ARG 64 41.784 34.301 36.550 489 HH12 ARG 64 HH12 ARG 64 43.060 34.551 35.362 490 HH21 ARG 64 HH21 ARG 64 41.095 36.271 33.186 491 HH22 ARG 64 HH22 ARG 64 42.611 35.387 33.392 492 H CYS 65 H CYS 65 38.105 33.260 32.028 493 HA CYS 65 HA CYS 65 37.014 30.942 30.624 494 HB2 CYS 65 HB2 CYS 65 37.160 33.267 29.713 495 HB3 CYS 65 HB3 CYS 65 38.903 33.130 29.697 496 H LYS 66 H LYS 66 38.367 29.559 29.209 497 HA LYS 66 HA LYS 66 40.764 28.428 30.484 498 HB2 LYS 66 HB2 LYS 66 39.177 27.771 27.977 499 HB3 LYS 66 HB3 LYS 66 40.692 26.952 28.389 500 HG2 LYS 66 HG2 LYS 66 39.738 26.248 30.557 501 HG3 LYS 66 HG3 LYS 66 38.207 27.032 30.130 502 HD2 LYS 66 HD2 LYS 66 37.842 25.477 28.280 503 HD3 LYS 66 HD3 LYS 66 39.481 24.836 28.465 504 HE2 LYS 66 HE2 LYS 66 38.247 23.198 29.531 505 HE3 LYS 66 HE3 LYS 66 38.815 24.191 30.866 506 HZ1 LYS 66 HZ1 LYS 66 36.529 23.699 31.187 507 HZ2 LYS 66 HZ2 LYS 66 36.544 25.303 30.755 508 HZ3 LYS 66 HZ3 LYS 66 36.121 24.135 29.672 509 HN1 NH2 67 HN1 NH2 67 42.834 28.193 29.479 510 HN2 NH2 67 HN2 NH2 67 43.379 29.336 28.268 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 15.177 30.600 33.029 2 H2 LYS 1 H2 LYS 1 13.958 31.694 32.874 3 H3 LYS 1 H3 LYS 1 14.417 31.176 34.362 4 HA LYS 1 HA LYS 1 15.260 33.369 34.012 5 HB2 LYS 1 HB2 LYS 1 17.343 31.163 33.928 6 HB3 LYS 1 HB3 LYS 1 17.770 32.875 34.102 7 HG2 LYS 1 HG2 LYS 1 16.256 32.990 36.113 8 HG3 LYS 1 HG3 LYS 1 16.082 31.231 36.016 9 HD2 LYS 1 HD2 LYS 1 18.526 30.964 36.312 10 HD3 LYS 1 HD3 LYS 1 18.716 32.731 36.371 11 HE2 LYS 1 HE2 LYS 1 17.213 32.828 38.351 12 HE3 LYS 1 HE3 LYS 1 17.022 31.080 38.309 13 HZ1 LYS 1 HZ1 LYS 1 19.620 32.462 38.707 14 HZ2 LYS 1 HZ2 LYS 1 18.721 31.829 39.916 15 HZ3 LYS 1 HZ3 LYS 1 19.357 30.828 38.775 16 H GLU 2 H GLU 2 16.548 34.856 32.821 17 HA GLU 2 HA GLU 2 17.345 34.048 30.061 18 HB2 GLU 2 HB2 GLU 2 16.331 36.827 30.700 19 HB3 GLU 2 HB3 GLU 2 16.667 36.084 29.144 20 HG2 GLU 2 HG2 GLU 2 14.425 35.975 29.043 21 HG3 GLU 2 HG3 GLU 2 14.686 34.423 29.833 22 H GLY 3 H GLY 3 19.431 34.794 29.412 23 HA2 GLY 3 HA2 GLY 3 20.967 36.688 30.918 24 HA3 GLY 3 HA3 GLY 3 21.218 35.085 31.598 25 H TYR 4 H TYR 4 23.459 35.657 31.017 26 HA TYR 4 HA TYR 4 24.276 36.045 28.276 27 HB2 TYR 4 HB2 TYR 4 25.799 35.271 30.801 28 HB3 TYR 4 HB3 TYR 4 26.566 35.544 29.250 29 HD1 TYR 4 HD1 TYR 4 24.132 38.071 29.283 30 HD2 TYR 4 HD2 TYR 4 27.829 36.882 31.155 31 HE1 TYR 4 HE1 TYR 4 24.672 40.451 29.735 32 HE2 TYR 4 HE2 TYR 4 28.393 39.257 31.561 33 HH TYR 4 HH TYR 4 27.793 41.482 31.113 34 H LEU 5 H LEU 5 25.015 34.731 26.773 35 HA LEU 5 HA LEU 5 25.210 31.821 27.125 36 HB2 LEU 5 HB2 LEU 5 24.553 32.829 24.952 37 HB3 LEU 5 HB3 LEU 5 26.046 33.758 24.915 38 HG LEU 5 HG LEU 5 27.347 31.615 24.818 39 HD11 LEU 5 HD11 LEU 5 25.713 30.048 25.781 40 HD12 LEU 5 HD12 LEU 5 24.618 30.348 24.405 41 HD13 LEU 5 HD13 LEU 5 26.190 29.574 24.143 42 HD21 LEU 5 HD21 LEU 5 25.301 31.814 22.584 43 HD22 LEU 5 HD22 LEU 5 26.705 32.889 22.745 44 HD23 LEU 5 HD23 LEU 5 26.954 31.157 22.506 45 H VAL 6 H VAL 6 26.685 31.496 28.797 46 HA VAL 6 HA VAL 6 29.344 32.860 28.640 47 HB VAL 6 HB VAL 6 27.937 33.690 30.427 48 HG11 VAL 6 HG11 VAL 6 27.349 32.375 32.378 49 HG12 VAL 6 HG12 VAL 6 26.635 31.630 30.945 50 HG13 VAL 6 HG13 VAL 6 28.082 30.915 31.682 51 HG21 VAL 6 HG21 VAL 6 30.310 32.100 31.475 52 HG22 VAL 6 HG22 VAL 6 30.350 33.720 30.736 53 HG23 VAL 6 HG23 VAL 6 29.521 33.480 32.272 54 H ASP 7 H ASP 7 31.181 31.806 28.666 55 HA ASP 7 HA ASP 7 31.151 28.924 28.241 56 HB2 ASP 7 HB2 ASP 7 32.570 30.561 26.977 57 HB3 ASP 7 HB3 ASP 7 33.495 30.867 28.443 58 H TYR 8 H TYR 8 30.631 27.842 30.082 59 HA TYR 8 HA TYR 8 31.109 28.610 32.683 60 HB2 TYR 8 HB2 TYR 8 30.852 25.903 32.980 61 HB3 TYR 8 HB3 TYR 8 29.563 27.056 32.782 62 HD1 TYR 8 HD1 TYR 8 28.223 27.199 30.755 63 HD2 TYR 8 HD2 TYR 8 31.502 24.420 31.072 64 HE1 TYR 8 HE1 TYR 8 27.409 26.007 28.724 65 HE2 TYR 8 HE2 TYR 8 30.698 23.234 29.037 66 HH TYR 8 HH TYR 8 29.200 23.240 27.321 67 H HIS 9 H HIS 9 33.425 26.888 30.682 68 HA HIS 9 HA HIS 9 35.212 26.038 32.758 69 HB2 HIS 9 HB2 HIS 9 35.529 26.574 29.775 70 HB3 HIS 9 HB3 HIS 9 36.665 25.707 30.780 71 HD2 HIS 9 HD2 HIS 9 33.915 24.141 32.229 72 HE1 HIS 9 HE1 HIS 9 34.031 22.114 28.490 73 HE2 HIS 9 HE2 HIS 9 33.125 22.033 30.875 74 H THR 10 H THR 10 34.604 29.235 31.693 75 HA THR 10 HA THR 10 37.051 30.149 33.104 76 HB THR 10 HB THR 10 37.849 29.964 30.843 77 HG1 THR 10 HG1 THR 10 38.717 31.681 31.815 78 HG21 THR 10 HG21 THR 10 35.590 31.831 30.020 79 HG22 THR 10 HG22 THR 10 36.960 31.345 29.007 80 HG23 THR 10 HG23 THR 10 35.787 30.134 29.535 81 H GLY 11 H GLY 11 33.772 30.838 32.074 82 HA2 GLY 11 HA2 GLY 11 32.275 32.219 33.236 83 HA3 GLY 11 HA3 GLY 11 33.610 33.053 34.031 84 H CYS 12 H CYS 12 34.424 32.992 30.808 85 HA CYS 12 HA CYS 12 33.678 35.771 30.383 86 HB2 CYS 12 HB2 CYS 12 34.946 33.812 28.443 87 HB3 CYS 12 HB3 CYS 12 34.914 35.562 28.306 88 H LYS 13 H LYS 13 32.219 36.593 28.892 89 HA LYS 13 HA LYS 13 30.108 34.735 27.980 90 HB2 LYS 13 HB2 LYS 13 28.619 36.445 27.683 91 HB3 LYS 13 HB3 LYS 13 29.375 36.632 29.258 92 HG2 LYS 13 HG2 LYS 13 29.980 38.270 26.760 93 HG3 LYS 13 HG3 LYS 13 29.008 38.767 28.157 94 HD2 LYS 13 HD2 LYS 13 31.103 38.430 29.591 95 HD3 LYS 13 HD3 LYS 13 32.001 38.262 28.047 96 HE2 LYS 13 HE2 LYS 13 31.239 40.394 27.295 97 HE3 LYS 13 HE3 LYS 13 30.207 40.589 28.722 98 HZ1 LYS 13 HZ1 LYS 13 33.180 40.455 28.759 99 HZ2 LYS 13 HZ2 LYS 13 32.314 41.811 28.967 100 HZ3 LYS 13 HZ3 LYS 13 32.231 40.609 30.101 101 H TYR 14 H TYR 14 29.398 34.417 25.929 102 HA TYR 14 HA TYR 14 31.326 34.752 23.754 103 HB2 TYR 14 HB2 TYR 14 28.556 33.608 23.995 104 HB3 TYR 14 HB3 TYR 14 29.314 33.850 22.438 105 HD1 TYR 14 HD1 TYR 14 31.258 32.579 21.710 106 HD2 TYR 14 HD2 TYR 14 29.487 31.843 25.573 107 HE1 TYR 14 HE1 TYR 14 32.475 30.426 21.868 108 HE2 TYR 14 HE2 TYR 14 30.642 29.647 25.684 109 HH TYR 14 HH TYR 14 31.974 28.121 24.578 110 H THR 15 H THR 15 31.620 36.615 22.716 111 HA THR 15 HA THR 15 29.931 38.914 23.092 112 HB THR 15 HB THR 15 31.588 40.018 21.555 113 HG1 THR 15 HG1 THR 15 32.268 38.339 20.297 114 HG21 THR 15 HG21 THR 15 32.759 38.422 23.867 115 HG22 THR 15 HG22 THR 15 33.478 39.855 23.102 116 HG23 THR 15 HG23 THR 15 31.943 39.995 23.977 117 H CYS 16 H CYS 16 29.257 40.375 21.384 118 HA CYS 16 HA CYS 16 28.419 39.094 18.817 119 HB2 CYS 16 HB2 CYS 16 26.932 41.210 20.413 120 HB3 CYS 16 HB3 CYS 16 26.572 40.718 18.764 121 H ALA 17 H ALA 17 28.870 40.178 16.988 122 HA ALA 17 HA ALA 17 30.613 42.543 17.001 123 HB1 ALA 17 HB1 ALA 17 29.309 40.965 14.731 124 HB2 ALA 17 HB2 ALA 17 30.584 42.193 14.568 125 HB3 ALA 17 HB3 ALA 17 30.926 40.681 15.417 126 H LYS 18 H LYS 18 27.166 41.967 16.878 127 HA LYS 18 HA LYS 18 26.684 44.897 16.707 128 HB2 LYS 18 HB2 LYS 18 25.379 42.779 14.945 129 HB3 LYS 18 HB3 LYS 18 24.552 44.272 15.385 130 HG2 LYS 18 HG2 LYS 18 26.515 45.573 14.452 131 HG3 LYS 18 HG3 LYS 18 27.181 44.039 13.875 132 HD2 LYS 18 HD2 LYS 18 25.958 45.240 12.098 133 HD3 LYS 18 HD3 LYS 18 25.270 43.655 12.452 134 HE2 LYS 18 HE2 LYS 18 23.538 45.366 12.066 135 HE3 LYS 18 HE3 LYS 18 23.409 44.623 13.657 136 HZ1 LYS 18 HZ1 LYS 18 23.167 47.072 13.732 137 HZ2 LYS 18 HZ2 LYS 18 24.464 46.601 14.609 138 HZ3 LYS 18 HZ3 LYS 18 24.706 47.250 13.136 139 H LEU 19 H LEU 19 24.924 45.656 17.768 140 HA LEU 19 HA LEU 19 23.648 43.951 19.831 141 HB2 LEU 19 HB2 LEU 19 23.358 46.900 19.133 142 HB3 LEU 19 HB3 LEU 19 22.555 46.112 20.479 143 HG LEU 19 HG LEU 19 25.588 46.348 20.193 144 HD11 LEU 19 HD11 LEU 19 24.517 48.543 20.483 145 HD12 LEU 19 HD12 LEU 19 23.629 47.942 21.904 146 HD13 LEU 19 HD13 LEU 19 25.404 48.072 21.938 147 HD21 LEU 19 HD21 LEU 19 25.579 45.791 22.602 148 HD22 LEU 19 HD22 LEU 19 23.827 45.475 22.530 149 HD23 LEU 19 HD23 LEU 19 24.974 44.453 21.611 150 H GLY 20 H GLY 20 21.331 43.691 19.947 151 HA2 GLY 20 HA2 GLY 20 19.158 43.528 19.227 152 HA3 GLY 20 HA3 GLY 20 19.518 44.768 18.023 153 H ASP 21 H ASP 21 21.662 42.627 16.980 154 HA ASP 21 HA ASP 21 19.889 41.243 15.113 155 HB2 ASP 21 HB2 ASP 21 22.864 41.009 15.638 156 HB3 ASP 21 HB3 ASP 21 21.991 40.064 14.434 157 H ASN 22 H ASN 22 19.252 39.132 15.120 158 HA ASN 22 HA ASN 22 19.482 37.671 17.723 159 HB2 ASN 22 HB2 ASN 22 17.219 37.895 15.701 160 HB3 ASN 22 HB3 ASN 22 17.270 36.679 16.972 161 HD21 ASN 22 HD21 ASN 22 16.825 40.473 18.469 162 HD22 ASN 22 HD22 ASN 22 18.051 40.251 17.250 163 H ASP 23 H ASP 23 19.573 37.185 14.189 164 HA ASP 23 HA ASP 23 19.425 34.432 14.081 165 HB2 ASP 23 HB2 ASP 23 21.118 36.289 12.360 166 HB3 ASP 23 HB3 ASP 23 20.806 34.597 11.981 167 H TYR 24 H TYR 24 22.495 36.215 14.651 168 HA TYR 24 HA TYR 24 24.176 33.845 14.502 169 HB2 TYR 24 HB2 TYR 24 25.355 35.788 14.089 170 HB3 TYR 24 HB3 TYR 24 24.512 36.716 15.300 171 HD1 TYR 24 HD1 TYR 24 27.263 34.275 14.776 172 HD2 TYR 24 HD2 TYR 24 25.268 36.870 17.586 173 HE1 TYR 24 HE1 TYR 24 29.186 34.059 16.349 174 HE2 TYR 24 HE2 TYR 24 27.187 36.660 19.146 175 HH TYR 24 HH TYR 24 29.345 35.972 19.376 176 H CYS 25 H CYS 25 22.755 35.690 17.207 177 HA CYS 25 HA CYS 25 23.871 34.000 19.238 178 HB2 CYS 25 HB2 CYS 25 23.236 36.310 19.601 179 HB3 CYS 25 HB3 CYS 25 21.552 35.943 19.266 180 H VAL 26 H VAL 26 20.639 33.852 17.583 181 HA VAL 26 HA VAL 26 19.578 31.708 19.157 182 HB VAL 26 HB VAL 26 19.126 32.484 16.257 183 HG11 VAL 26 HG11 VAL 26 17.048 31.082 16.387 184 HG12 VAL 26 HG12 VAL 26 18.523 30.122 16.363 185 HG13 VAL 26 HG13 VAL 26 17.650 30.373 17.896 186 HG21 VAL 26 HG21 VAL 26 18.324 34.052 18.069 187 HG22 VAL 26 HG22 VAL 26 17.030 33.383 17.069 188 HG23 VAL 26 HG23 VAL 26 17.311 32.729 18.693 189 H ARG 27 H ARG 27 21.571 31.532 16.162 190 HA ARG 27 HA ARG 27 21.706 28.670 16.036 191 HB2 ARG 27 HB2 ARG 27 23.500 30.894 15.008 192 HB3 ARG 27 HB3 ARG 27 23.770 29.190 14.639 193 HG2 ARG 27 HG2 ARG 27 21.445 29.084 13.651 194 HG3 ARG 27 HG3 ARG 27 21.323 30.830 13.858 195 HD2 ARG 27 HD2 ARG 27 23.289 29.291 12.124 196 HD3 ARG 27 HD3 ARG 27 21.987 30.332 11.568 197 HE ARG 27 HE ARG 27 24.503 31.213 12.955 198 HH11 ARG 27 HH11 ARG 27 21.765 32.291 10.993 199 HH12 ARG 27 HH12 ARG 27 22.621 33.755 10.529 200 HH21 ARG 27 HH21 ARG 27 25.502 33.007 12.222 201 HH22 ARG 27 HH22 ARG 27 24.608 34.200 11.333 202 H GLU 28 H GLU 28 23.731 30.977 17.839 203 HA GLU 28 HA GLU 28 25.569 28.885 18.759 204 HB2 GLU 28 HB2 GLU 28 25.063 31.726 19.657 205 HB3 GLU 28 HB3 GLU 28 26.315 30.707 20.341 206 HG2 GLU 28 HG2 GLU 28 26.200 31.495 17.398 207 HG3 GLU 28 HG3 GLU 28 27.156 32.319 18.628 208 H CYS 29 H CYS 29 22.678 30.508 20.222 209 HA CYS 29 HA CYS 29 22.898 29.393 22.826 210 HB2 CYS 29 HB2 CYS 29 20.433 30.132 21.201 211 HB3 CYS 29 HB3 CYS 29 20.382 29.676 22.896 212 H ARG 30 H ARG 30 21.111 28.177 19.943 213 HA ARG 30 HA ARG 30 20.197 25.791 21.285 214 HB2 ARG 30 HB2 ARG 30 19.116 25.274 19.323 215 HB3 ARG 30 HB3 ARG 30 19.152 27.040 19.331 216 HG2 ARG 30 HG2 ARG 30 21.191 26.882 17.790 217 HG3 ARG 30 HG3 ARG 30 20.875 25.150 17.659 218 HD2 ARG 30 HD2 ARG 30 19.043 27.442 16.841 219 HD3 ARG 30 HD3 ARG 30 19.865 26.317 15.771 220 HE ARG 30 HE ARG 30 17.457 25.843 17.443 221 HH11 ARG 30 HH11 ARG 30 19.618 24.303 15.090 222 HH12 ARG 30 HH12 ARG 30 18.442 23.003 14.856 223 HH21 ARG 30 HH21 ARG 30 16.233 23.989 17.159 224 HH22 ARG 30 HH22 ARG 30 16.697 22.880 15.876 225 H LEU 31 H LEU 31 23.299 26.425 20.157 226 HA LEU 31 HA LEU 31 23.947 23.507 20.025 227 HB2 LEU 31 HB2 LEU 31 25.524 26.019 19.395 228 HB3 LEU 31 HB3 LEU 31 26.272 24.426 19.483 229 HG LEU 31 HG LEU 31 23.942 25.071 17.612 230 HD11 LEU 31 HD11 LEU 31 25.653 25.143 15.823 231 HD12 LEU 31 HD12 LEU 31 25.916 26.423 17.022 232 HD13 LEU 31 HD13 LEU 31 26.931 24.959 17.044 233 HD21 LEU 31 HD21 LEU 31 24.751 23.036 16.419 234 HD22 LEU 31 HD22 LEU 31 25.946 22.760 17.701 235 HD23 LEU 31 HD23 LEU 31 24.209 22.654 18.049 236 H ARG 32 H ARG 32 24.553 26.349 22.125 237 HA ARG 32 HA ARG 32 26.207 24.754 23.963 238 HB2 ARG 32 HB2 ARG 32 26.143 27.384 23.391 239 HB3 ARG 32 HB3 ARG 32 25.030 27.408 24.739 240 HG2 ARG 32 HG2 ARG 32 27.292 27.920 25.496 241 HG3 ARG 32 HG3 ARG 32 26.738 26.415 26.222 242 HD2 ARG 32 HD2 ARG 32 29.135 26.415 25.466 243 HD3 ARG 32 HD3 ARG 32 28.156 25.103 24.808 244 HE ARG 32 HE ARG 32 28.175 27.354 22.985 245 HH11 ARG 32 HH11 ARG 32 30.370 24.739 23.930 246 HH12 ARG 32 HH12 ARG 32 30.801 24.486 22.240 247 HH21 ARG 32 HH21 ARG 32 28.899 27.041 21.044 248 HH22 ARG 32 HH22 ARG 32 30.084 25.783 20.679 249 H TYR 33 H TYR 33 22.873 25.524 23.726 250 HA TYR 33 HA TYR 33 22.245 24.001 26.227 251 HB2 TYR 33 HB2 TYR 33 20.562 26.183 24.950 252 HB3 TYR 33 HB3 TYR 33 20.275 25.385 26.484 253 HD1 TYR 33 HD1 TYR 33 21.732 28.227 24.900 254 HD2 TYR 33 HD2 TYR 33 22.019 25.696 28.374 255 HE1 TYR 33 HE1 TYR 33 23.062 29.984 26.082 256 HE2 TYR 33 HE2 TYR 33 23.407 27.448 29.523 257 HH TYR 33 HH TYR 33 24.837 29.399 28.956 258 H TYR 34 H TYR 34 19.641 23.553 25.865 259 HA TYR 34 HA TYR 34 19.320 21.383 24.085 260 HB2 TYR 34 HB2 TYR 34 16.895 21.693 24.661 261 HB3 TYR 34 HB3 TYR 34 17.973 21.628 26.049 262 HD1 TYR 34 HD1 TYR 34 15.636 23.717 24.174 263 HD2 TYR 34 HD2 TYR 34 18.455 23.650 27.422 264 HE1 TYR 34 HE1 TYR 34 14.836 25.968 24.909 265 HE2 TYR 34 HE2 TYR 34 17.733 25.936 28.095 266 HH TYR 34 HH TYR 34 15.304 27.772 26.214 267 H GLN 35 H GLN 35 18.177 21.147 22.137 268 HA GLN 35 HA GLN 35 18.816 23.066 20.190 269 HB2 GLN 35 HB2 GLN 35 17.858 21.591 18.627 270 HB3 GLN 35 HB3 GLN 35 18.576 20.601 19.890 271 HG2 GLN 35 HG2 GLN 35 15.598 21.190 19.544 272 HG3 GLN 35 HG3 GLN 35 16.412 19.728 19.049 273 HE21 GLN 35 HE21 GLN 35 14.701 19.231 22.384 274 HE22 GLN 35 HE22 GLN 35 14.138 20.021 20.917 275 H SER 36 H SER 36 15.836 22.860 22.052 276 HA SER 36 HA SER 36 14.322 24.633 20.322 277 HB2 SER 36 HB2 SER 36 13.678 24.054 23.210 278 HB3 SER 36 HB3 SER 36 12.587 24.419 21.872 279 HG SER 36 HG SER 36 13.022 22.361 21.009 280 H ALA 37 H ALA 37 17.007 25.436 22.143 281 HA ALA 37 HA ALA 37 16.049 27.732 23.539 282 HB1 ALA 37 HB1 ALA 37 18.407 28.267 23.854 283 HB2 ALA 37 HB2 ALA 37 18.117 26.538 24.117 284 HB3 ALA 37 HB3 ALA 37 18.859 27.089 22.599 285 H HIS 38 H HIS 38 16.424 29.948 23.203 286 HA HIS 38 HA HIS 38 16.969 30.967 20.466 287 HB2 HIS 38 HB2 HIS 38 14.491 31.596 22.119 288 HB3 HIS 38 HB3 HIS 38 14.993 32.491 20.683 289 HD2 HIS 38 HD2 HIS 38 13.253 29.263 21.719 290 HE1 HIS 38 HE1 HIS 38 13.553 29.096 17.472 291 HE2 HIS 38 HE2 HIS 38 12.514 27.999 19.532 292 H GLY 39 H GLY 39 17.258 33.427 20.496 293 HA2 GLY 39 HA2 GLY 39 17.793 34.817 22.947 294 HA3 GLY 39 HA3 GLY 39 19.287 34.166 22.287 295 H TYR 40 H TYR 40 19.592 36.610 22.486 296 HA TYR 40 HA TYR 40 19.691 37.739 19.812 297 HB2 TYR 40 HB2 TYR 40 18.585 39.847 20.333 298 HB3 TYR 40 HB3 TYR 40 17.478 38.509 20.441 299 HD1 TYR 40 HD1 TYR 40 16.710 37.660 22.688 300 HD2 TYR 40 HD2 TYR 40 18.983 41.302 22.228 301 HE1 TYR 40 HE1 TYR 40 16.002 38.388 24.954 302 HE2 TYR 40 HE2 TYR 40 18.235 42.038 24.494 303 HH TYR 40 HH TYR 40 16.215 39.942 26.580 304 H CYS 41 H CYS 41 20.850 39.942 19.867 305 HA CYS 41 HA CYS 41 23.082 39.754 21.808 306 HB2 CYS 41 HB2 CYS 41 22.726 41.290 19.244 307 HB3 CYS 41 HB3 CYS 41 24.120 41.485 20.307 308 H TYR 42 H TYR 42 23.355 40.967 23.517 309 HA TYR 42 HA TYR 42 22.380 43.745 23.769 310 HB2 TYR 42 HB2 TYR 42 20.476 42.375 24.504 311 HB3 TYR 42 HB3 TYR 42 21.502 41.480 25.602 312 HD1 TYR 42 HD1 TYR 42 19.756 44.683 25.005 313 HD2 TYR 42 HD2 TYR 42 22.249 42.461 27.744 314 HE1 TYR 42 HE1 TYR 42 19.217 46.303 26.817 315 HE2 TYR 42 HE2 TYR 42 21.704 44.085 29.550 316 HH TYR 42 HH TYR 42 20.546 45.975 30.127 317 H ALA 43 H ALA 43 23.569 44.917 25.431 318 HA ALA 43 HA ALA 43 25.579 45.463 26.327 319 HB1 ALA 43 HB1 ALA 43 25.171 42.859 27.817 320 HB2 ALA 43 HB2 ALA 43 26.164 44.233 28.344 321 HB3 ALA 43 HB3 ALA 43 24.401 44.411 28.210 322 H PHE 44 H PHE 44 25.936 44.391 23.828 323 HA PHE 44 HA PHE 44 27.415 43.592 22.350 324 HB2 PHE 44 HB2 PHE 44 29.566 43.945 24.428 325 HB3 PHE 44 HB3 PHE 44 29.723 44.026 22.681 326 HD1 PHE 44 HD1 PHE 44 28.739 45.977 21.417 327 HD2 PHE 44 HD2 PHE 44 28.787 45.855 25.729 328 HE1 PHE 44 HE1 PHE 44 28.229 48.401 21.496 329 HE2 PHE 44 HE2 PHE 44 28.287 48.279 25.804 330 HZ PHE 44 HZ PHE 44 27.990 49.555 23.689 331 H ALA 45 H ALA 45 26.215 41.574 24.327 332 HA ALA 45 HA ALA 45 27.896 39.261 23.529 333 HB1 ALA 45 HB1 ALA 45 27.547 38.320 25.768 334 HB2 ALA 45 HB2 ALA 45 28.364 39.902 25.875 335 HB3 ALA 45 HB3 ALA 45 26.628 39.768 26.247 336 H CYS 46 H CYS 46 26.764 37.195 23.598 337 HA CYS 46 HA CYS 46 24.031 37.408 22.555 338 HB2 CYS 46 HB2 CYS 46 25.476 35.929 21.423 339 HB3 CYS 46 HB3 CYS 46 25.969 35.141 22.925 340 H TRP 47 H TRP 47 22.243 37.145 23.589 341 HA TRP 47 HA TRP 47 22.163 36.360 26.465 342 HB2 TRP 47 HB2 TRP 47 21.836 38.750 25.948 343 HB3 TRP 47 HB3 TRP 47 20.541 38.350 24.834 344 HD1 TRP 47 HD1 TRP 47 18.251 37.469 25.863 345 HE1 TRP 47 HE1 TRP 47 17.099 38.051 28.079 346 HE3 TRP 47 HE3 TRP 47 22.318 39.149 28.409 347 HZ2 TRP 47 HZ2 TRP 47 17.928 38.895 30.743 348 HZ3 TRP 47 HZ3 TRP 47 22.130 39.852 30.783 349 HH2 TRP 47 HH2 TRP 47 19.946 39.730 31.954 350 H CYS 48 H CYS 48 21.173 34.389 26.689 351 HA CYS 48 HA CYS 48 19.214 33.518 24.612 352 HB2 CYS 48 HB2 CYS 48 20.656 31.820 26.622 353 HB3 CYS 48 HB3 CYS 48 19.632 31.254 25.300 354 H THR 49 H THR 49 17.193 32.688 25.172 355 HA THR 49 HA THR 49 16.163 33.734 27.783 356 HB THR 49 HB THR 49 14.105 34.264 26.677 357 HG1 THR 49 HG1 THR 49 13.984 32.702 25.161 358 HG21 THR 49 HG21 THR 49 14.799 36.040 25.191 359 HG22 THR 49 HG22 THR 49 15.937 35.948 26.544 360 HG23 THR 49 HG23 THR 49 16.393 35.302 24.949 361 H HIS 50 H HIS 50 14.482 32.710 28.860 362 HA HIS 50 HA HIS 50 13.317 31.050 29.755 363 HB2 HIS 50 HB2 HIS 50 13.079 29.699 27.073 364 HB3 HIS 50 HB3 HIS 50 12.000 29.599 28.455 365 HD2 HIS 50 HD2 HIS 50 10.270 31.593 28.850 366 HE1 HIS 50 HE1 HIS 50 11.238 33.921 25.427 367 HE2 HIS 50 HE2 HIS 50 9.620 33.665 27.370 368 H LEU 51 H LEU 51 16.202 30.783 29.707 369 HA LEU 51 HA LEU 51 16.978 27.989 29.593 370 HB2 LEU 51 HB2 LEU 51 18.217 30.353 31.068 371 HB3 LEU 51 HB3 LEU 51 18.981 28.786 30.818 372 HG LEU 51 HG LEU 51 18.343 30.824 28.647 373 HD11 LEU 51 HD11 LEU 51 20.939 29.837 29.918 374 HD12 LEU 51 HD12 LEU 51 20.847 30.934 28.544 375 HD13 LEU 51 HD13 LEU 51 20.212 31.452 30.108 376 HD21 LEU 51 HD21 LEU 51 19.708 28.099 28.467 377 HD22 LEU 51 HD22 LEU 51 18.172 28.567 27.697 378 HD23 LEU 51 HD23 LEU 51 19.684 29.316 27.180 379 H TYR 52 H TYR 52 17.762 26.813 31.470 380 HA TYR 52 HA TYR 52 15.930 26.385 33.577 381 HB2 TYR 52 HB2 TYR 52 18.015 25.117 34.517 382 HB3 TYR 52 HB3 TYR 52 17.202 24.575 33.082 383 HD1 TYR 52 HD1 TYR 52 19.942 27.139 33.695 384 HD2 TYR 52 HD2 TYR 52 18.671 23.596 31.587 385 HE1 TYR 52 HE1 TYR 52 22.154 27.020 32.571 386 HE2 TYR 52 HE2 TYR 52 20.888 23.492 30.453 387 HH TYR 52 HH TYR 52 23.590 25.449 31.497 388 H GLU 53 H GLU 53 16.374 26.422 35.897 389 HA GLU 53 HA GLU 53 16.899 29.028 36.935 390 HB2 GLU 53 HB2 GLU 53 16.823 26.295 38.262 391 HB3 GLU 53 HB3 GLU 53 16.939 27.798 39.165 392 HG2 GLU 53 HG2 GLU 53 14.646 27.077 37.287 393 HG3 GLU 53 HG3 GLU 53 14.625 26.888 39.034 394 H GLN 54 H GLN 54 19.204 26.599 36.057 395 HA GLN 54 HA GLN 54 21.344 27.475 37.832 396 HB2 GLN 54 HB2 GLN 54 21.734 26.006 35.210 397 HB3 GLN 54 HB3 GLN 54 22.756 25.988 36.636 398 HG2 GLN 54 HG2 GLN 54 20.047 24.666 36.281 399 HG3 GLN 54 HG3 GLN 54 21.610 23.877 36.427 400 HE21 GLN 54 HE21 GLN 54 19.596 24.132 39.764 401 HE22 GLN 54 HE22 GLN 54 19.045 23.721 38.128 402 H ALA 55 H ALA 55 19.988 29.045 35.122 403 HA ALA 55 HA ALA 55 22.387 29.931 33.815 404 HB1 ALA 55 HB1 ALA 55 20.906 31.443 32.607 405 HB2 ALA 55 HB2 ALA 55 20.173 29.825 32.721 406 HB3 ALA 55 HB3 ALA 55 19.610 31.145 33.779 407 H VAL 56 H VAL 56 23.205 32.039 33.628 408 HA VAL 56 HA VAL 56 22.829 34.002 35.780 409 HB VAL 56 HB VAL 56 24.201 32.234 36.804 410 HG11 VAL 56 HG11 VAL 56 26.483 31.806 36.088 411 HG12 VAL 56 HG12 VAL 56 25.364 31.379 34.792 412 HG13 VAL 56 HG13 VAL 56 26.300 32.888 34.693 413 HG21 VAL 56 HG21 VAL 56 25.895 33.567 37.758 414 HG22 VAL 56 HG22 VAL 56 25.971 34.651 36.366 415 HG23 VAL 56 HG23 VAL 56 24.538 34.653 37.434 416 H VAL 57 H VAL 57 23.998 35.939 35.452 417 HA VAL 57 HA VAL 57 24.974 36.447 32.686 418 HB VAL 57 HB VAL 57 25.061 38.830 33.323 419 HG11 VAL 57 HG11 VAL 57 23.167 37.844 32.105 420 HG12 VAL 57 HG12 VAL 57 22.343 37.480 33.639 421 HG13 VAL 57 HG13 VAL 57 22.645 39.160 33.158 422 HG21 VAL 57 HG21 VAL 57 25.161 38.722 35.802 423 HG22 VAL 57 HG22 VAL 57 23.767 39.632 35.253 424 HG23 VAL 57 HG23 VAL 57 23.545 37.979 35.847 425 H TRP 58 H TRP 58 26.758 38.562 34.537 426 HA TRP 58 HA TRP 58 29.165 37.116 33.978 427 HB2 TRP 58 HB2 TRP 58 30.130 39.132 35.305 428 HB3 TRP 58 HB3 TRP 58 29.428 39.328 33.721 429 HD1 TRP 58 HD1 TRP 58 27.266 40.769 33.446 430 HE1 TRP 58 HE1 TRP 58 25.984 42.402 34.968 431 HE3 TRP 58 HE3 TRP 58 29.574 39.715 37.902 432 HZ2 TRP 58 HZ2 TRP 58 25.820 42.989 37.761 433 HZ3 TRP 58 HZ3 TRP 58 28.848 40.863 39.978 434 HH2 TRP 58 HH2 TRP 58 26.978 42.488 39.934 435 HA PRO 59 HA PRO 59 29.857 36.413 38.568 436 HB2 PRO 59 HB2 PRO 59 27.971 36.396 40.484 437 HB3 PRO 59 HB3 PRO 59 28.474 37.911 39.687 438 HG2 PRO 59 HG2 PRO 59 26.081 36.180 38.993 439 HG3 PRO 59 HG3 PRO 59 26.116 37.940 39.312 440 HD2 PRO 59 HD2 PRO 59 26.240 36.863 36.791 441 HD3 PRO 59 HD3 PRO 59 27.027 38.400 37.222 442 H LEU 60 H LEU 60 29.675 34.430 36.815 443 HA LEU 60 HA LEU 60 28.259 32.069 37.497 444 HB2 LEU 60 HB2 LEU 60 29.526 32.499 35.369 445 HB3 LEU 60 HB3 LEU 60 31.022 32.412 36.298 446 HG LEU 60 HG LEU 60 30.324 29.998 36.922 447 HD11 LEU 60 HD11 LEU 60 28.924 28.864 35.226 448 HD12 LEU 60 HD12 LEU 60 27.981 30.059 36.112 449 HD13 LEU 60 HD13 LEU 60 28.548 30.426 34.473 450 HD21 LEU 60 HD21 LEU 60 30.978 30.601 34.025 451 HD22 LEU 60 HD22 LEU 60 32.159 30.617 35.357 452 HD23 LEU 60 HD23 LEU 60 31.334 29.113 34.924 453 HA PRO 61 HA PRO 61 30.360 31.190 41.378 454 HB2 PRO 61 HB2 PRO 61 29.431 28.670 41.933 455 HB3 PRO 61 HB3 PRO 61 28.457 30.159 42.097 456 HG2 PRO 61 HG2 PRO 61 28.514 28.224 39.762 457 HG3 PRO 61 HG3 PRO 61 27.085 28.898 40.608 458 HD2 PRO 61 HD2 PRO 61 27.997 29.968 38.296 459 HD3 PRO 61 HD3 PRO 61 27.372 31.018 39.599 460 H ASN 62 H ASN 62 30.766 29.114 38.562 461 HA ASN 62 HA ASN 62 32.689 27.336 39.782 462 HB2 ASN 62 HB2 ASN 62 31.974 27.771 36.846 463 HB3 ASN 62 HB3 ASN 62 32.799 26.377 37.525 464 HD21 ASN 62 HD21 ASN 62 29.744 25.118 39.028 465 HD22 ASN 62 HD22 ASN 62 31.482 25.158 39.291 466 H LYS 63 H LYS 63 33.032 30.035 37.531 467 HA LYS 63 HA LYS 63 35.966 30.247 37.929 468 HB2 LYS 63 HB2 LYS 63 34.633 30.029 35.196 469 HB3 LYS 63 HB3 LYS 63 36.355 30.260 35.495 470 HG2 LYS 63 HG2 LYS 63 34.762 27.766 36.234 471 HG3 LYS 63 HG3 LYS 63 35.719 27.946 34.794 472 HD2 LYS 63 HD2 LYS 63 37.765 27.895 35.915 473 HD3 LYS 63 HD3 LYS 63 37.052 28.327 37.481 474 HE2 LYS 63 HE2 LYS 63 35.805 26.143 37.454 475 HE3 LYS 63 HE3 LYS 63 36.666 25.698 35.975 476 HZ1 LYS 63 HZ1 LYS 63 38.751 25.827 37.236 477 HZ2 LYS 63 HZ2 LYS 63 37.904 26.228 38.627 478 HZ3 LYS 63 HZ3 LYS 63 37.710 24.770 37.925 479 H ARG 64 H ARG 64 36.833 32.285 37.040 480 HA ARG 64 HA ARG 64 34.819 34.500 37.169 481 HB2 ARG 64 HB2 ARG 64 36.049 34.135 39.293 482 HB3 ARG 64 HB3 ARG 64 37.569 34.320 38.430 483 HG2 ARG 64 HG2 ARG 64 37.295 36.345 39.497 484 HG3 ARG 64 HG3 ARG 64 36.815 36.725 37.854 485 HD2 ARG 64 HD2 ARG 64 34.885 36.079 40.124 486 HD3 ARG 64 HD3 ARG 64 35.404 37.704 39.728 487 HE ARG 64 HE ARG 64 33.559 35.967 38.171 488 HH11 ARG 64 HH11 ARG 64 35.099 39.170 38.283 489 HH12 ARG 64 HH12 ARG 64 33.741 39.849 37.397 490 HH21 ARG 64 HH21 ARG 64 32.161 36.951 36.756 491 HH22 ARG 64 HH22 ARG 64 32.306 38.692 36.512 492 H CYS 65 H CYS 65 34.711 35.602 35.320 493 HA CYS 65 HA CYS 65 37.205 36.766 34.226 494 HB2 CYS 65 HB2 CYS 65 36.985 34.796 32.905 495 HB3 CYS 65 HB3 CYS 65 35.268 35.052 32.701 496 H LYS 66 H LYS 66 36.968 38.854 33.751 497 HA LYS 66 HA LYS 66 34.286 40.137 33.599 498 HB2 LYS 66 HB2 LYS 66 37.124 41.199 33.744 499 HB3 LYS 66 HB3 LYS 66 35.702 42.244 33.491 500 HG2 LYS 66 HG2 LYS 66 34.789 41.599 35.642 501 HG3 LYS 66 HG3 LYS 66 36.075 40.423 35.935 502 HD2 LYS 66 HD2 LYS 66 37.737 42.216 35.879 503 HD3 LYS 66 HD3 LYS 66 36.496 43.418 35.491 504 HE2 LYS 66 HE2 LYS 66 35.999 41.832 37.967 505 HE3 LYS 66 HE3 LYS 66 37.447 42.870 38.023 506 HZ1 LYS 66 HZ1 LYS 66 34.815 43.894 37.177 507 HZ2 LYS 66 HZ2 LYS 66 35.297 43.926 38.758 508 HZ3 LYS 66 HZ3 LYS 66 36.113 44.769 37.540 509 HN1 NH2 67 HN1 NH2 67 36.947 39.245 31.442 510 HN2 NH2 67 HN2 NH2 67 36.259 39.984 30.014 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 11.458 32.956 30.282 2 H2 LYS 1 H2 LYS 1 11.047 32.104 31.629 3 H3 LYS 1 H3 LYS 1 11.841 31.345 30.392 4 HA LYS 1 HA LYS 1 12.850 33.480 32.140 5 HB2 LYS 1 HB2 LYS 1 12.875 31.120 33.101 6 HB3 LYS 1 HB3 LYS 1 13.984 30.678 31.810 7 HG2 LYS 1 HG2 LYS 1 15.592 32.443 32.597 8 HG3 LYS 1 HG3 LYS 1 14.435 32.881 33.865 9 HD2 LYS 1 HD2 LYS 1 14.648 30.503 34.713 10 HD3 LYS 1 HD3 LYS 1 15.999 30.279 33.589 11 HE2 LYS 1 HE2 LYS 1 17.247 32.103 34.649 12 HE3 LYS 1 HE3 LYS 1 15.830 32.570 35.596 13 HZ1 LYS 1 HZ1 LYS 1 15.955 30.380 36.704 14 HZ2 LYS 1 HZ2 LYS 1 17.388 30.078 35.939 15 HZ3 LYS 1 HZ3 LYS 1 17.267 31.314 36.997 16 H GLU 2 H GLU 2 14.468 34.676 31.475 17 HA GLU 2 HA GLU 2 16.016 33.927 29.038 18 HB2 GLU 2 HB2 GLU 2 14.800 36.672 29.542 19 HB3 GLU 2 HB3 GLU 2 15.708 36.110 28.140 20 HG2 GLU 2 HG2 GLU 2 13.619 35.961 27.268 21 HG3 GLU 2 HG3 GLU 2 13.754 34.336 27.898 22 H GLY 3 H GLY 3 18.201 34.705 28.966 23 HA2 GLY 3 HA2 GLY 3 19.304 36.376 31.082 24 HA3 GLY 3 HA3 GLY 3 19.535 34.667 31.409 25 H TYR 4 H TYR 4 21.719 35.861 31.432 26 HA TYR 4 HA TYR 4 23.027 36.545 28.969 27 HB2 TYR 4 HB2 TYR 4 23.409 37.333 31.396 28 HB3 TYR 4 HB3 TYR 4 24.347 35.877 31.626 29 HD1 TYR 4 HD1 TYR 4 24.420 39.289 30.730 30 HD2 TYR 4 HD2 TYR 4 26.377 35.542 29.871 31 HE1 TYR 4 HE1 TYR 4 26.387 40.515 29.881 32 HE2 TYR 4 HE2 TYR 4 28.334 36.784 28.968 33 HH TYR 4 HH TYR 4 28.358 40.364 28.783 34 H LEU 5 H LEU 5 24.134 35.281 27.512 35 HA LEU 5 HA LEU 5 24.369 32.425 27.958 36 HB2 LEU 5 HB2 LEU 5 23.786 33.538 25.772 37 HB3 LEU 5 HB3 LEU 5 25.442 34.143 25.691 38 HG LEU 5 HG LEU 5 26.260 31.751 25.699 39 HD11 LEU 5 HD11 LEU 5 24.425 30.563 26.726 40 HD12 LEU 5 HD12 LEU 5 23.275 31.165 25.514 41 HD13 LEU 5 HD13 LEU 5 24.543 30.018 25.054 42 HD21 LEU 5 HD21 LEU 5 25.603 31.271 23.395 43 HD22 LEU 5 HD22 LEU 5 24.292 32.471 23.490 44 HD23 LEU 5 HD23 LEU 5 25.999 32.979 23.589 45 H VAL 6 H VAL 6 25.992 31.374 28.918 46 HA VAL 6 HA VAL 6 28.764 32.456 28.937 47 HB VAL 6 HB VAL 6 27.461 33.332 30.880 48 HG11 VAL 6 HG11 VAL 6 27.432 30.451 31.878 49 HG12 VAL 6 HG12 VAL 6 26.864 31.894 32.741 50 HG13 VAL 6 HG13 VAL 6 26.014 31.345 31.290 51 HG21 VAL 6 HG21 VAL 6 29.729 31.478 31.704 52 HG22 VAL 6 HG22 VAL 6 29.900 33.128 31.053 53 HG23 VAL 6 HG23 VAL 6 29.101 32.865 32.605 54 H ASP 7 H ASP 7 30.428 30.938 29.360 55 HA ASP 7 HA ASP 7 29.770 28.100 28.886 56 HB2 ASP 7 HB2 ASP 7 31.831 28.998 27.931 57 HB3 ASP 7 HB3 ASP 7 32.417 29.440 29.535 58 H TYR 8 H TYR 8 28.875 26.954 30.511 59 HA TYR 8 HA TYR 8 29.072 27.481 33.293 60 HB2 TYR 8 HB2 TYR 8 28.210 25.113 33.483 61 HB3 TYR 8 HB3 TYR 8 27.269 26.201 32.486 62 HD1 TYR 8 HD1 TYR 8 29.628 23.313 32.371 63 HD2 TYR 8 HD2 TYR 8 26.850 25.780 30.174 64 HE1 TYR 8 HE1 TYR 8 29.642 21.673 30.500 65 HE2 TYR 8 HE2 TYR 8 26.850 24.126 28.313 66 HH TYR 8 HH TYR 8 27.781 22.206 27.486 67 H HIS 9 H HIS 9 31.338 25.756 31.209 68 HA HIS 9 HA HIS 9 32.631 24.338 33.435 69 HB2 HIS 9 HB2 HIS 9 32.467 23.204 31.343 70 HB3 HIS 9 HB3 HIS 9 33.149 24.565 30.469 71 HD2 HIS 9 HD2 HIS 9 34.940 23.270 33.659 72 HE1 HIS 9 HE1 HIS 9 37.419 22.397 30.310 73 HE2 HIS 9 HE2 HIS 9 37.318 22.536 32.859 74 H THR 10 H THR 10 33.785 26.908 31.134 75 HA THR 10 HA THR 10 35.910 27.556 33.143 76 HB THR 10 HB THR 10 37.294 28.323 31.428 77 HG1 THR 10 HG1 THR 10 35.155 27.883 29.618 78 HG21 THR 10 HG21 THR 10 37.640 26.391 30.027 79 HG22 THR 10 HG22 THR 10 37.175 25.845 31.649 80 HG23 THR 10 HG23 THR 10 35.991 25.815 30.323 81 H GLY 11 H GLY 11 32.999 28.922 32.229 82 HA2 GLY 11 HA2 GLY 11 32.049 30.850 32.915 83 HA3 GLY 11 HA3 GLY 11 33.550 31.333 33.677 84 H CYS 12 H CYS 12 33.714 30.710 30.233 85 HA CYS 12 HA CYS 12 34.408 33.386 29.535 86 HB2 CYS 12 HB2 CYS 12 33.340 31.144 27.778 87 HB3 CYS 12 HB3 CYS 12 34.134 32.602 27.204 88 H LYS 13 H LYS 13 33.305 35.068 28.642 89 HA LYS 13 HA LYS 13 30.332 34.959 28.402 90 HB2 LYS 13 HB2 LYS 13 30.601 37.446 27.957 91 HB3 LYS 13 HB3 LYS 13 31.031 36.888 29.573 92 HG2 LYS 13 HG2 LYS 13 33.410 36.934 29.011 93 HG3 LYS 13 HG3 LYS 13 33.060 37.475 27.361 94 HD2 LYS 13 HD2 LYS 13 32.350 38.964 29.911 95 HD3 LYS 13 HD3 LYS 13 33.858 39.185 29.016 96 HE2 LYS 13 HE2 LYS 13 32.593 39.874 26.998 97 HE3 LYS 13 HE3 LYS 13 31.069 39.714 27.896 98 HZ1 LYS 13 HZ1 LYS 13 33.278 41.558 28.618 99 HZ2 LYS 13 HZ2 LYS 13 31.892 42.002 27.844 100 HZ3 LYS 13 HZ3 LYS 13 31.842 41.434 29.401 101 H TYR 14 H TYR 14 29.251 35.069 26.478 102 HA TYR 14 HA TYR 14 30.876 34.875 23.988 103 HB2 TYR 14 HB2 TYR 14 28.016 34.118 24.605 104 HB3 TYR 14 HB3 TYR 14 28.715 34.106 22.981 105 HD1 TYR 14 HD1 TYR 14 28.504 32.297 26.142 106 HD2 TYR 14 HD2 TYR 14 30.836 32.763 22.540 107 HE1 TYR 14 HE1 TYR 14 29.742 30.191 26.655 108 HE2 TYR 14 HE2 TYR 14 32.102 30.692 23.097 109 HH TYR 14 HH TYR 14 32.662 29.341 24.957 110 H THR 15 H THR 15 31.473 36.812 23.398 111 HA THR 15 HA THR 15 29.818 39.170 23.522 112 HB THR 15 HB THR 15 31.669 40.324 22.435 113 HG1 THR 15 HG1 THR 15 32.586 39.014 21.021 114 HG21 THR 15 HG21 THR 15 33.391 39.964 24.094 115 HG22 THR 15 HG22 THR 15 31.800 39.869 24.865 116 HG23 THR 15 HG23 THR 15 32.720 38.380 24.533 117 H CYS 16 H CYS 16 29.120 40.518 21.821 118 HA CYS 16 HA CYS 16 29.049 39.526 19.063 119 HB2 CYS 16 HB2 CYS 16 26.611 39.672 18.875 120 HB3 CYS 16 HB3 CYS 16 27.108 38.441 20.033 121 H ALA 17 H ALA 17 28.711 41.206 17.538 122 HA ALA 17 HA ALA 17 29.411 43.854 18.663 123 HB1 ALA 17 HB1 ALA 17 30.915 42.772 17.069 124 HB2 ALA 17 HB2 ALA 17 29.625 42.715 15.848 125 HB3 ALA 17 HB3 ALA 17 30.257 44.276 16.404 126 H LYS 18 H LYS 18 27.114 42.568 16.202 127 HA LYS 18 HA LYS 18 25.790 45.201 16.007 128 HB2 LYS 18 HB2 LYS 18 25.476 42.587 14.513 129 HB3 LYS 18 HB3 LYS 18 24.405 43.974 14.273 130 HG2 LYS 18 HG2 LYS 18 26.272 45.419 13.676 131 HG3 LYS 18 HG3 LYS 18 27.433 44.137 14.052 132 HD2 LYS 18 HD2 LYS 18 26.576 42.774 12.190 133 HD3 LYS 18 HD3 LYS 18 25.361 44.008 11.824 134 HE2 LYS 18 HE2 LYS 18 27.330 44.113 10.308 135 HE3 LYS 18 HE3 LYS 18 27.058 45.618 11.190 136 HZ1 LYS 18 HZ1 LYS 18 28.996 43.599 12.158 137 HZ2 LYS 18 HZ2 LYS 18 29.438 44.763 11.096 138 HZ3 LYS 18 HZ3 LYS 18 28.886 45.177 12.591 139 H LEU 19 H LEU 19 24.347 45.823 17.306 140 HA LEU 19 HA LEU 19 23.267 44.118 19.401 141 HB2 LEU 19 HB2 LEU 19 22.989 47.089 18.817 142 HB3 LEU 19 HB3 LEU 19 22.456 46.307 20.301 143 HG LEU 19 HG LEU 19 25.369 46.345 19.384 144 HD11 LEU 19 HD11 LEU 19 25.674 48.106 21.089 145 HD12 LEU 19 HD12 LEU 19 24.605 48.625 19.777 146 HD13 LEU 19 HD13 LEU 19 23.913 48.150 21.343 147 HD21 LEU 19 HD21 LEU 19 24.082 45.696 22.071 148 HD22 LEU 19 HD22 LEU 19 24.877 44.535 20.978 149 HD23 LEU 19 HD23 LEU 19 25.830 45.812 21.751 150 H GLY 20 H GLY 20 21.111 43.865 20.009 151 HA2 GLY 20 HA2 GLY 20 18.849 43.568 19.770 152 HA3 GLY 20 HA3 GLY 20 18.844 44.712 18.425 153 H ASP 21 H ASP 21 20.908 43.043 16.974 154 HA ASP 21 HA ASP 21 19.134 41.416 15.425 155 HB2 ASP 21 HB2 ASP 21 22.166 41.657 15.437 156 HB3 ASP 21 HB3 ASP 21 21.245 40.794 14.219 157 H ASN 22 H ASN 22 19.087 39.214 15.056 158 HA ASN 22 HA ASN 22 20.056 37.479 17.300 159 HB2 ASN 22 HB2 ASN 22 18.089 36.110 16.910 160 HB3 ASN 22 HB3 ASN 22 17.644 37.765 17.273 161 HD21 ASN 22 HD21 ASN 22 15.806 38.154 14.293 162 HD22 ASN 22 HD22 ASN 22 16.364 38.881 15.789 163 H ASP 23 H ASP 23 20.564 38.066 14.016 164 HA ASP 23 HA ASP 23 20.748 35.611 12.796 165 HB2 ASP 23 HB2 ASP 23 20.905 37.860 11.775 166 HB3 ASP 23 HB3 ASP 23 22.536 38.050 12.412 167 H TYR 24 H TYR 24 23.188 36.909 15.020 168 HA TYR 24 HA TYR 24 25.073 34.677 14.409 169 HB2 TYR 24 HB2 TYR 24 26.070 36.844 14.378 170 HB3 TYR 24 HB3 TYR 24 25.323 37.304 15.891 171 HD1 TYR 24 HD1 TYR 24 26.239 36.660 18.034 172 HD2 TYR 24 HD2 TYR 24 28.072 35.328 14.365 173 HE1 TYR 24 HE1 TYR 24 28.289 36.012 19.291 174 HE2 TYR 24 HE2 TYR 24 30.127 34.697 15.625 175 HH TYR 24 HH TYR 24 31.225 34.750 17.686 176 H CYS 25 H CYS 25 23.146 36.018 17.118 177 HA CYS 25 HA CYS 25 24.356 34.248 19.051 178 HB2 CYS 25 HB2 CYS 25 22.020 36.165 19.139 179 HB3 CYS 25 HB3 CYS 25 22.513 35.215 20.537 180 H VAL 26 H VAL 26 21.444 33.741 17.064 181 HA VAL 26 HA VAL 26 20.086 31.993 18.886 182 HB VAL 26 HB VAL 26 20.013 32.137 15.855 183 HG11 VAL 26 HG11 VAL 26 18.233 30.498 17.719 184 HG12 VAL 26 HG12 VAL 26 17.881 30.848 16.010 185 HG13 VAL 26 HG13 VAL 26 19.285 29.878 16.428 186 HG21 VAL 26 HG21 VAL 26 17.881 33.242 16.213 187 HG22 VAL 26 HG22 VAL 26 17.989 32.986 17.970 188 HG23 VAL 26 HG23 VAL 26 19.115 34.078 17.156 189 H ARG 27 H ARG 27 22.532 31.205 16.356 190 HA ARG 27 HA ARG 27 22.681 28.402 16.852 191 HB2 ARG 27 HB2 ARG 27 24.703 30.449 15.901 192 HB3 ARG 27 HB3 ARG 27 25.105 28.745 16.100 193 HG2 ARG 27 HG2 ARG 27 23.312 28.096 14.516 194 HG3 ARG 27 HG3 ARG 27 22.974 29.807 14.211 195 HD2 ARG 27 HD2 ARG 27 25.639 28.387 13.763 196 HD3 ARG 27 HD3 ARG 27 24.498 28.822 12.495 197 HE ARG 27 HE ARG 27 26.220 30.650 14.094 198 HH11 ARG 27 HH11 ARG 27 23.766 30.481 11.586 199 HH12 ARG 27 HH12 ARG 27 23.964 32.169 11.175 200 HH21 ARG 27 HH21 ARG 27 26.434 32.673 13.549 201 HH22 ARG 27 HH22 ARG 27 25.580 33.398 12.191 202 H GLU 28 H GLU 28 24.589 31.044 18.407 203 HA GLU 28 HA GLU 28 26.155 29.258 20.019 204 HB2 GLU 28 HB2 GLU 28 25.353 32.104 20.719 205 HB3 GLU 28 HB3 GLU 28 26.741 31.208 21.332 206 HG2 GLU 28 HG2 GLU 28 26.317 32.323 18.554 207 HG3 GLU 28 HG3 GLU 28 27.546 32.778 19.728 208 H CYS 29 H CYS 29 23.086 30.942 20.754 209 HA CYS 29 HA CYS 29 22.754 30.012 23.434 210 HB2 CYS 29 HB2 CYS 29 21.598 31.908 22.538 211 HB3 CYS 29 HB3 CYS 29 20.930 30.966 21.221 212 H ARG 30 H ARG 30 21.590 28.584 20.326 213 HA ARG 30 HA ARG 30 20.447 26.301 21.718 214 HB2 ARG 30 HB2 ARG 30 19.436 25.776 19.742 215 HB3 ARG 30 HB3 ARG 30 19.651 27.509 19.571 216 HG2 ARG 30 HG2 ARG 30 21.848 26.889 18.310 217 HG3 ARG 30 HG3 ARG 30 21.167 25.267 18.199 218 HD2 ARG 30 HD2 ARG 30 19.986 27.863 17.132 219 HD3 ARG 30 HD3 ARG 30 20.687 26.549 16.176 220 HE ARG 30 HE ARG 30 18.496 25.575 17.794 221 HH11 ARG 30 HH11 ARG 30 18.964 27.468 14.839 222 HH12 ARG 30 HH12 ARG 30 17.407 26.878 14.231 223 HH21 ARG 30 HH21 ARG 30 16.559 25.101 16.965 224 HH22 ARG 30 HH22 ARG 30 16.126 25.685 15.366 225 H LEU 31 H LEU 31 23.596 26.845 20.369 226 HA LEU 31 HA LEU 31 24.358 23.999 20.444 227 HB2 LEU 31 HB2 LEU 31 25.897 26.594 20.077 228 HB3 LEU 31 HB3 LEU 31 26.696 25.030 20.159 229 HG LEU 31 HG LEU 31 24.531 25.637 18.106 230 HD11 LEU 31 HD11 LEU 31 27.550 25.836 17.777 231 HD12 LEU 31 HD12 LEU 31 26.337 26.032 16.490 232 HD13 LEU 31 HD13 LEU 31 26.426 27.207 17.815 233 HD21 LEU 31 HD21 LEU 31 24.975 23.240 18.466 234 HD22 LEU 31 HD22 LEU 31 25.574 23.758 16.886 235 HD23 LEU 31 HD23 LEU 31 26.711 23.517 18.230 236 H ARG 32 H ARG 32 24.793 26.853 22.603 237 HA ARG 32 HA ARG 32 26.423 25.415 24.480 238 HB2 ARG 32 HB2 ARG 32 26.111 27.969 24.186 239 HB3 ARG 32 HB3 ARG 32 24.631 27.786 25.115 240 HG2 ARG 32 HG2 ARG 32 26.492 28.573 26.505 241 HG3 ARG 32 HG3 ARG 32 25.902 27.010 27.066 242 HD2 ARG 32 HD2 ARG 32 28.395 27.251 27.096 243 HD3 ARG 32 HD3 ARG 32 27.803 25.857 26.182 244 HE ARG 32 HE ARG 32 28.179 28.137 24.443 245 HH11 ARG 32 HH11 ARG 32 30.159 25.691 26.065 246 HH12 ARG 32 HH12 ARG 32 31.266 25.646 24.712 247 HH21 ARG 32 HH21 ARG 32 29.629 28.033 22.854 248 HH22 ARG 32 HH22 ARG 32 30.998 26.951 22.981 249 H TYR 33 H TYR 33 22.909 26.019 24.415 250 HA TYR 33 HA TYR 33 22.588 24.257 26.801 251 HB2 TYR 33 HB2 TYR 33 20.647 26.246 25.623 252 HB3 TYR 33 HB3 TYR 33 20.447 25.343 27.117 253 HD1 TYR 33 HD1 TYR 33 23.583 25.903 27.920 254 HD2 TYR 33 HD2 TYR 33 20.137 28.257 26.816 255 HE1 TYR 33 HE1 TYR 33 24.535 27.862 29.132 256 HE2 TYR 33 HE2 TYR 33 21.127 30.226 28.028 257 HH TYR 33 HH TYR 33 23.666 30.021 30.211 258 H TYR 34 H TYR 34 20.180 24.845 24.196 259 HA TYR 34 HA TYR 34 20.144 22.010 23.479 260 HB2 TYR 34 HB2 TYR 34 18.023 21.469 24.259 261 HB3 TYR 34 HB3 TYR 34 18.822 22.194 25.623 262 HD1 TYR 34 HD1 TYR 34 18.348 24.847 25.913 263 HD2 TYR 34 HD2 TYR 34 15.804 22.019 23.885 264 HE1 TYR 34 HE1 TYR 34 16.416 26.342 26.311 265 HE2 TYR 34 HE2 TYR 34 13.831 23.471 24.369 266 HH TYR 34 HH TYR 34 14.006 26.362 26.351 267 H GLN 35 H GLN 35 18.859 21.564 21.513 268 HA GLN 35 HA GLN 35 19.438 23.539 19.637 269 HB2 GLN 35 HB2 GLN 35 19.695 21.226 19.306 270 HB3 GLN 35 HB3 GLN 35 18.035 20.868 19.756 271 HG2 GLN 35 HG2 GLN 35 18.201 20.529 17.496 272 HG3 GLN 35 HG3 GLN 35 17.216 21.957 17.748 273 HE21 GLN 35 HE21 GLN 35 19.389 22.886 14.918 274 HE22 GLN 35 HE22 GLN 35 17.924 21.965 15.228 275 H SER 36 H SER 36 16.402 22.998 21.343 276 HA SER 36 HA SER 36 14.856 24.715 19.522 277 HB2 SER 36 HB2 SER 36 14.134 23.425 22.172 278 HB3 SER 36 HB3 SER 36 13.019 24.272 21.094 279 HG SER 36 HG SER 36 14.502 21.890 20.569 280 H ALA 37 H ALA 37 17.194 25.649 21.647 281 HA ALA 37 HA ALA 37 15.769 27.784 23.031 282 HB1 ALA 37 HB1 ALA 37 17.916 26.711 23.803 283 HB2 ALA 37 HB2 ALA 37 18.746 27.568 22.487 284 HB3 ALA 37 HB3 ALA 37 17.928 28.476 23.781 285 H HIS 38 H HIS 38 16.412 30.137 22.712 286 HA HIS 38 HA HIS 38 17.141 30.970 19.985 287 HB2 HIS 38 HB2 HIS 38 14.669 30.589 19.884 288 HB3 HIS 38 HB3 HIS 38 14.453 31.765 21.178 289 HD2 HIS 38 HD2 HIS 38 15.141 31.478 17.439 290 HE1 HIS 38 HE1 HIS 38 15.211 35.659 18.267 291 HE2 HIS 38 HE2 HIS 38 15.250 33.894 16.420 292 H GLY 39 H GLY 39 17.796 33.276 19.893 293 HA2 GLY 39 HA2 GLY 39 17.825 34.864 22.308 294 HA3 GLY 39 HA3 GLY 39 19.374 34.068 22.030 295 H TYR 40 H TYR 40 19.477 36.692 22.158 296 HA TYR 40 HA TYR 40 20.149 37.573 19.441 297 HB2 TYR 40 HB2 TYR 40 18.815 39.481 19.323 298 HB3 TYR 40 HB3 TYR 40 17.736 38.196 19.751 299 HD1 TYR 40 HD1 TYR 40 16.872 38.067 22.200 300 HD2 TYR 40 HD2 TYR 40 19.129 41.402 20.659 301 HE1 TYR 40 HE1 TYR 40 16.097 39.491 24.111 302 HE2 TYR 40 HE2 TYR 40 18.370 42.803 22.560 303 HH TYR 40 HH TYR 40 16.311 41.530 25.190 304 H CYS 41 H CYS 41 21.084 39.866 19.505 305 HA CYS 41 HA CYS 41 23.211 39.794 21.550 306 HB2 CYS 41 HB2 CYS 41 23.707 39.998 19.141 307 HB3 CYS 41 HB3 CYS 41 22.853 41.541 19.099 308 H TYR 42 H TYR 42 23.267 41.003 23.372 309 HA TYR 42 HA TYR 42 22.061 43.718 23.460 310 HB2 TYR 42 HB2 TYR 42 20.260 42.264 24.162 311 HB3 TYR 42 HB3 TYR 42 21.318 41.383 25.250 312 HD1 TYR 42 HD1 TYR 42 21.858 42.204 27.446 313 HD2 TYR 42 HD2 TYR 42 19.509 44.601 24.737 314 HE1 TYR 42 HE1 TYR 42 21.304 43.758 29.306 315 HE2 TYR 42 HE2 TYR 42 18.906 46.125 26.607 316 HH TYR 42 HH TYR 42 18.921 46.309 28.982 317 H ALA 43 H ALA 43 23.256 45.133 24.633 318 HA ALA 43 HA ALA 43 25.161 45.983 25.524 319 HB1 ALA 43 HB1 ALA 43 25.559 45.386 27.853 320 HB2 ALA 43 HB2 ALA 43 23.818 45.467 27.518 321 HB3 ALA 43 HB3 ALA 43 24.625 43.890 27.661 322 H PHE 44 H PHE 44 25.890 44.541 23.461 323 HA PHE 44 HA PHE 44 27.430 43.347 22.377 324 HB2 PHE 44 HB2 PHE 44 29.286 44.337 24.553 325 HB3 PHE 44 HB3 PHE 44 29.773 43.736 22.977 326 HD1 PHE 44 HD1 PHE 44 28.771 44.936 20.864 327 HD2 PHE 44 HD2 PHE 44 28.912 46.671 24.809 328 HE1 PHE 44 HE1 PHE 44 28.592 47.201 19.874 329 HE2 PHE 44 HE2 PHE 44 28.785 48.940 23.808 330 HZ PHE 44 HZ PHE 44 28.596 49.212 21.342 331 H ALA 45 H ALA 45 25.951 41.693 24.381 332 HA ALA 45 HA ALA 45 27.633 39.335 23.901 333 HB1 ALA 45 HB1 ALA 45 26.499 40.018 26.641 334 HB2 ALA 45 HB2 ALA 45 27.202 38.449 26.187 335 HB3 ALA 45 HB3 ALA 45 28.218 39.896 26.196 336 H CYS 46 H CYS 46 26.441 37.313 23.925 337 HA CYS 46 HA CYS 46 23.768 37.681 22.831 338 HB2 CYS 46 HB2 CYS 46 25.329 35.187 23.497 339 HB3 CYS 46 HB3 CYS 46 23.747 35.193 22.716 340 H TRP 47 H TRP 47 21.893 37.612 23.739 341 HA TRP 47 HA TRP 47 21.443 36.699 26.545 342 HB2 TRP 47 HB2 TRP 47 20.899 39.053 25.881 343 HB3 TRP 47 HB3 TRP 47 19.786 38.440 24.672 344 HD1 TRP 47 HD1 TRP 47 17.390 37.909 25.449 345 HE1 TRP 47 HE1 TRP 47 16.081 38.272 27.627 346 HE3 TRP 47 HE3 TRP 47 21.326 38.780 28.609 347 HZ2 TRP 47 HZ2 TRP 47 16.671 38.831 30.396 348 HZ3 TRP 47 HZ3 TRP 47 20.915 39.244 31.018 349 HH2 TRP 47 HH2 TRP 47 18.601 39.286 31.915 350 H CYS 48 H CYS 48 20.049 34.956 26.853 351 HA CYS 48 HA CYS 48 19.020 33.551 24.417 352 HB2 CYS 48 HB2 CYS 48 21.244 32.789 25.060 353 HB3 CYS 48 HB3 CYS 48 20.684 32.461 26.691 354 H THR 49 H THR 49 17.211 32.304 24.644 355 HA THR 49 HA THR 49 15.518 32.877 27.049 356 HB THR 49 HB THR 49 13.702 33.445 25.640 357 HG1 THR 49 HG1 THR 49 15.395 32.766 23.484 358 HG21 THR 49 HG21 THR 49 14.364 35.445 24.630 359 HG22 THR 49 HG22 THR 49 15.534 35.211 25.938 360 HG23 THR 49 HG23 THR 49 16.000 34.853 24.262 361 H HIS 50 H HIS 50 13.354 31.723 26.915 362 HA HIS 50 HA HIS 50 12.236 29.864 27.381 363 HB2 HIS 50 HB2 HIS 50 13.629 28.578 25.023 364 HB3 HIS 50 HB3 HIS 50 12.094 28.104 25.746 365 HD2 HIS 50 HD2 HIS 50 13.225 29.781 22.778 366 HE1 HIS 50 HE1 HIS 50 9.573 31.785 23.627 367 HE2 HIS 50 HE2 HIS 50 11.292 31.346 21.841 368 H LEU 51 H LEU 51 14.657 30.232 28.825 369 HA LEU 51 HA LEU 51 16.148 27.777 29.030 370 HB2 LEU 51 HB2 LEU 51 16.028 30.067 31.020 371 HB3 LEU 51 HB3 LEU 51 17.318 28.889 30.836 372 HG LEU 51 HG LEU 51 16.573 31.074 28.829 373 HD11 LEU 51 HD11 LEU 51 18.977 30.731 30.655 374 HD12 LEU 51 HD12 LEU 51 18.733 32.040 29.476 375 HD13 LEU 51 HD13 LEU 51 17.658 31.906 30.879 376 HD21 LEU 51 HD21 LEU 51 18.669 30.417 27.694 377 HD22 LEU 51 HD22 LEU 51 18.811 29.016 28.784 378 HD23 LEU 51 HD23 LEU 51 17.459 29.136 27.627 379 H TYR 52 H TYR 52 16.070 26.090 30.467 380 HA TYR 52 HA TYR 52 13.816 25.789 32.337 381 HB2 TYR 52 HB2 TYR 52 15.444 23.764 33.012 382 HB3 TYR 52 HB3 TYR 52 14.342 23.690 31.670 383 HD1 TYR 52 HD1 TYR 52 17.911 24.254 32.571 384 HD2 TYR 52 HD2 TYR 52 15.109 23.413 29.411 385 HE1 TYR 52 HE1 TYR 52 19.807 23.863 31.007 386 HE2 TYR 52 HE2 TYR 52 17.010 23.004 27.845 387 HH TYR 52 HH TYR 52 20.410 23.436 28.860 388 H GLU 53 H GLU 53 14.059 25.765 34.673 389 HA GLU 53 HA GLU 53 15.795 27.807 35.683 390 HB2 GLU 53 HB2 GLU 53 14.260 25.643 37.152 391 HB3 GLU 53 HB3 GLU 53 15.029 27.021 37.933 392 HG2 GLU 53 HG2 GLU 53 12.766 27.175 35.894 393 HG3 GLU 53 HG3 GLU 53 12.596 27.328 37.639 394 H GLN 54 H GLN 54 16.553 24.505 35.069 395 HA GLN 54 HA GLN 54 18.854 24.382 36.900 396 HB2 GLN 54 HB2 GLN 54 17.931 22.600 34.607 397 HB3 GLN 54 HB3 GLN 54 19.334 22.260 35.617 398 HG2 GLN 54 HG2 GLN 54 16.466 22.499 36.623 399 HG3 GLN 54 HG3 GLN 54 17.346 20.998 36.360 400 HE21 GLN 54 HE21 GLN 54 17.560 22.186 40.000 401 HE22 GLN 54 HE22 GLN 54 16.179 22.151 38.894 402 H ALA 55 H ALA 55 18.427 26.159 34.066 403 HA ALA 55 HA ALA 55 20.896 25.610 32.706 404 HB1 ALA 55 HB1 ALA 55 18.907 26.581 31.594 405 HB2 ALA 55 HB2 ALA 55 19.043 28.034 32.610 406 HB3 ALA 55 HB3 ALA 55 20.309 27.651 31.427 407 H VAL 56 H VAL 56 22.762 26.924 32.514 408 HA VAL 56 HA VAL 56 23.420 28.554 34.934 409 HB VAL 56 HB VAL 56 25.292 27.392 32.860 410 HG11 VAL 56 HG11 VAL 56 25.836 28.866 35.480 411 HG12 VAL 56 HG12 VAL 56 27.062 28.036 34.505 412 HG13 VAL 56 HG13 VAL 56 26.231 29.446 33.849 413 HG21 VAL 56 HG21 VAL 56 26.011 25.915 34.749 414 HG22 VAL 56 HG22 VAL 56 24.686 26.563 35.739 415 HG23 VAL 56 HG23 VAL 56 24.341 25.619 34.271 416 H VAL 57 H VAL 57 23.382 30.657 34.823 417 HA VAL 57 HA VAL 57 24.104 32.120 32.333 418 HB VAL 57 HB VAL 57 22.257 33.709 32.607 419 HG11 VAL 57 HG11 VAL 57 21.231 30.884 32.154 420 HG12 VAL 57 HG12 VAL 57 20.525 32.403 31.559 421 HG13 VAL 57 HG13 VAL 57 22.098 31.873 30.960 422 HG21 VAL 57 HG21 VAL 57 21.563 33.395 34.916 423 HG22 VAL 57 HG22 VAL 57 20.208 33.052 33.846 424 HG23 VAL 57 HG23 VAL 57 21.091 31.710 34.593 425 H TRP 58 H TRP 58 23.432 32.387 35.882 426 HA TRP 58 HA TRP 58 24.718 34.900 36.107 427 HB2 TRP 58 HB2 TRP 58 24.458 32.866 38.330 428 HB3 TRP 58 HB3 TRP 58 24.558 34.619 38.478 429 HD1 TRP 58 HD1 TRP 58 22.130 31.924 38.519 430 HE1 TRP 58 HE1 TRP 58 19.737 32.674 37.994 431 HE3 TRP 58 HE3 TRP 58 23.116 36.664 36.806 432 HZ2 TRP 58 HZ2 TRP 58 18.468 34.897 36.755 433 HZ3 TRP 58 HZ3 TRP 58 21.269 38.079 35.955 434 HH2 TRP 58 HH2 TRP 58 18.937 37.211 35.893 435 HA PRO 59 HA PRO 59 28.932 34.206 35.674 436 HB2 PRO 59 HB2 PRO 59 29.392 35.825 38.185 437 HB3 PRO 59 HB3 PRO 59 30.221 35.940 36.601 438 HG2 PRO 59 HG2 PRO 59 28.254 37.686 37.206 439 HG3 PRO 59 HG3 PRO 59 28.294 36.926 35.582 440 HD2 PRO 59 HD2 PRO 59 26.584 36.183 37.961 441 HD3 PRO 59 HD3 PRO 59 26.149 36.320 36.233 442 H LEU 60 H LEU 60 30.579 32.863 36.111 443 HA LEU 60 HA LEU 60 30.212 30.868 38.196 444 HB2 LEU 60 HB2 LEU 60 32.275 31.278 36.002 445 HB3 LEU 60 HB3 LEU 60 32.363 29.975 37.164 446 HG LEU 60 HG LEU 60 31.525 29.198 35.075 447 HD11 LEU 60 HD11 LEU 60 29.552 28.006 35.812 448 HD12 LEU 60 HD12 LEU 60 30.716 28.118 37.144 449 HD13 LEU 60 HD13 LEU 60 29.279 29.167 37.121 450 HD21 LEU 60 HD21 LEU 60 29.459 29.812 34.058 451 HD22 LEU 60 HD22 LEU 60 29.008 30.869 35.409 452 HD23 LEU 60 HD23 LEU 60 30.353 31.313 34.338 453 HA PRO 61 HA PRO 61 32.889 32.585 41.241 454 HB2 PRO 61 HB2 PRO 61 33.802 30.420 42.621 455 HB3 PRO 61 HB3 PRO 61 32.082 30.910 42.616 456 HG2 PRO 61 HG2 PRO 61 33.399 28.782 40.905 457 HG3 PRO 61 HG3 PRO 61 31.898 28.648 41.877 458 HD2 PRO 61 HD2 PRO 61 31.819 29.190 39.215 459 HD3 PRO 61 HD3 PRO 61 30.683 29.973 40.354 460 H ASN 62 H ASN 62 34.424 30.150 39.117 461 HA ASN 62 HA ASN 62 37.133 31.120 39.896 462 HB2 ASN 62 HB2 ASN 62 36.199 28.681 38.319 463 HB3 ASN 62 HB3 ASN 62 37.871 29.098 38.632 464 HD21 ASN 62 HD21 ASN 62 35.949 27.042 41.431 465 HD22 ASN 62 HD22 ASN 62 35.233 27.313 39.845 466 H LYS 63 H LYS 63 35.223 30.511 36.948 467 HA LYS 63 HA LYS 63 35.193 31.310 34.927 468 HB2 LYS 63 HB2 LYS 63 34.564 33.624 34.734 469 HB3 LYS 63 HB3 LYS 63 33.825 32.814 36.081 470 HG2 LYS 63 HG2 LYS 63 34.313 34.988 36.826 471 HG3 LYS 63 HG3 LYS 63 35.356 33.887 37.688 472 HD2 LYS 63 HD2 LYS 63 36.613 35.871 37.082 473 HD3 LYS 63 HD3 LYS 63 37.246 34.499 36.187 474 HE2 LYS 63 HE2 LYS 63 37.135 36.349 34.678 475 HE3 LYS 63 HE3 LYS 63 35.875 35.197 34.206 476 HZ1 LYS 63 HZ1 LYS 63 35.185 37.619 34.314 477 HZ2 LYS 63 HZ2 LYS 63 34.227 36.601 35.172 478 HZ3 LYS 63 HZ3 LYS 63 35.338 37.546 35.939 479 H ARG 64 H ARG 64 37.866 30.626 35.549 480 HA ARG 64 HA ARG 64 39.609 32.407 34.019 481 HB2 ARG 64 HB2 ARG 64 40.305 30.997 35.990 482 HB3 ARG 64 HB3 ARG 64 40.064 29.566 35.017 483 HG2 ARG 64 HG2 ARG 64 42.393 30.011 34.999 484 HG3 ARG 64 HG3 ARG 64 41.799 30.447 33.397 485 HD2 ARG 64 HD2 ARG 64 43.357 32.139 34.113 486 HD3 ARG 64 HD3 ARG 64 41.759 32.852 34.095 487 HE ARG 64 HE ARG 64 41.783 33.084 36.418 488 HH11 ARG 64 HH11 ARG 64 44.674 31.235 35.533 489 HH12 ARG 64 HH12 ARG 64 45.531 31.776 36.938 490 HH21 ARG 64 HH21 ARG 64 42.848 33.332 38.386 491 HH22 ARG 64 HH22 ARG 64 44.559 32.993 38.443 492 H CYS 65 H CYS 65 38.535 32.642 32.102 493 HA CYS 65 HA CYS 65 37.257 30.664 30.600 494 HB2 CYS 65 HB2 CYS 65 36.655 32.943 30.433 495 HB3 CYS 65 HB3 CYS 65 38.269 33.438 29.943 496 H LYS 66 H LYS 66 37.673 29.414 28.883 497 HA LYS 66 HA LYS 66 38.754 27.991 27.525 498 HB2 LYS 66 HB2 LYS 66 40.893 30.062 27.017 499 HB3 LYS 66 HB3 LYS 66 40.412 28.712 25.994 500 HG2 LYS 66 HG2 LYS 66 38.176 29.828 25.645 501 HG3 LYS 66 HG3 LYS 66 38.822 31.226 26.540 502 HD2 LYS 66 HD2 LYS 66 40.729 31.336 24.920 503 HD3 LYS 66 HD3 LYS 66 39.939 30.072 23.958 504 HE2 LYS 66 HE2 LYS 66 37.965 31.552 23.650 505 HE3 LYS 66 HE3 LYS 66 38.730 32.790 24.655 506 HZ1 LYS 66 HZ1 LYS 66 39.749 31.799 22.044 507 HZ2 LYS 66 HZ2 LYS 66 39.145 33.272 22.311 508 HZ3 LYS 66 HZ3 LYS 66 40.582 32.814 22.999 509 HN1 NH2 67 HN1 NH2 67 39.806 28.244 30.471 510 HN2 NH2 67 HN2 NH2 67 41.216 27.203 30.392 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 11.643 34.280 30.176 2 H2 LYS 1 H2 LYS 1 10.776 33.229 31.086 3 H3 LYS 1 H3 LYS 1 11.497 32.705 29.704 4 HA LYS 1 HA LYS 1 12.856 33.655 32.113 5 HB2 LYS 1 HB2 LYS 1 11.767 31.324 32.191 6 HB3 LYS 1 HB3 LYS 1 13.025 30.818 31.051 7 HG2 LYS 1 HG2 LYS 1 14.783 31.489 32.629 8 HG3 LYS 1 HG3 LYS 1 13.587 32.271 33.663 9 HD2 LYS 1 HD2 LYS 1 12.583 29.764 33.738 10 HD3 LYS 1 HD3 LYS 1 14.277 29.362 33.427 11 HE2 LYS 1 HE2 LYS 1 13.220 31.176 35.655 12 HE3 LYS 1 HE3 LYS 1 13.633 29.481 35.882 13 HZ1 LYS 1 HZ1 LYS 1 15.391 31.069 36.563 14 HZ2 LYS 1 HZ2 LYS 1 15.924 29.970 35.458 15 HZ3 LYS 1 HZ3 LYS 1 15.606 31.537 35.018 16 H GLU 2 H GLU 2 14.895 34.302 31.896 17 HA GLU 2 HA GLU 2 16.254 33.968 29.237 18 HB2 GLU 2 HB2 GLU 2 15.742 36.548 30.764 19 HB3 GLU 2 HB3 GLU 2 16.642 36.372 29.254 20 HG2 GLU 2 HG2 GLU 2 14.646 35.733 28.040 21 HG3 GLU 2 HG3 GLU 2 13.705 35.658 29.514 22 H GLY 3 H GLY 3 18.540 34.913 29.241 23 HA2 GLY 3 HA2 GLY 3 19.929 35.541 31.593 24 HA3 GLY 3 HA3 GLY 3 20.107 33.800 31.404 25 H TYR 4 H TYR 4 22.262 35.550 31.447 26 HA TYR 4 HA TYR 4 23.275 36.266 28.840 27 HB2 TYR 4 HB2 TYR 4 23.811 37.151 31.219 28 HB3 TYR 4 HB3 TYR 4 24.844 35.758 31.390 29 HD1 TYR 4 HD1 TYR 4 24.314 38.960 29.581 30 HD2 TYR 4 HD2 TYR 4 27.076 35.759 30.466 31 HE1 TYR 4 HE1 TYR 4 26.199 40.402 28.874 32 HE2 TYR 4 HE2 TYR 4 28.968 37.227 29.776 33 HH TYR 4 HH TYR 4 28.486 40.618 28.703 34 H LEU 5 H LEU 5 24.853 35.146 27.507 35 HA LEU 5 HA LEU 5 24.866 32.244 27.826 36 HB2 LEU 5 HB2 LEU 5 24.609 33.301 25.634 37 HB3 LEU 5 HB3 LEU 5 26.232 33.986 25.767 38 HG LEU 5 HG LEU 5 27.219 31.707 25.761 39 HD11 LEU 5 HD11 LEU 5 24.323 30.787 25.551 40 HD12 LEU 5 HD12 LEU 5 25.722 29.782 25.120 41 HD13 LEU 5 HD13 LEU 5 25.523 30.330 26.779 42 HD21 LEU 5 HD21 LEU 5 26.752 32.894 23.597 43 HD22 LEU 5 HD22 LEU 5 26.770 31.132 23.469 44 HD23 LEU 5 HD23 LEU 5 25.219 31.999 23.486 45 H VAL 6 H VAL 6 26.430 30.947 28.721 46 HA VAL 6 HA VAL 6 29.227 31.868 28.845 47 HB VAL 6 HB VAL 6 28.006 32.583 30.979 48 HG11 VAL 6 HG11 VAL 6 28.295 29.642 31.712 49 HG12 VAL 6 HG12 VAL 6 27.683 30.955 32.733 50 HG13 VAL 6 HG13 VAL 6 26.743 30.421 31.325 51 HG21 VAL 6 HG21 VAL 6 30.424 30.775 31.329 52 HG22 VAL 6 HG22 VAL 6 30.469 32.456 30.736 53 HG23 VAL 6 HG23 VAL 6 29.907 32.101 32.379 54 H ASP 7 H ASP 7 30.787 30.123 29.232 55 HA ASP 7 HA ASP 7 29.868 27.706 27.897 56 HB2 ASP 7 HB2 ASP 7 32.123 28.979 27.560 57 HB3 ASP 7 HB3 ASP 7 32.661 28.090 28.971 58 H TYR 8 H TYR 8 30.282 25.559 28.631 59 HA TYR 8 HA TYR 8 29.718 25.084 31.485 60 HB2 TYR 8 HB2 TYR 8 29.568 22.792 30.964 61 HB3 TYR 8 HB3 TYR 8 28.693 23.677 29.737 62 HD1 TYR 8 HD1 TYR 8 29.539 23.767 27.391 63 HD2 TYR 8 HD2 TYR 8 31.534 21.452 30.444 64 HE1 TYR 8 HE1 TYR 8 30.736 22.478 25.632 65 HE2 TYR 8 HE2 TYR 8 32.734 20.165 28.674 66 HH TYR 8 HH TYR 8 32.665 21.076 25.305 67 H HIS 9 H HIS 9 32.525 25.026 29.321 68 HA HIS 9 HA HIS 9 34.305 23.880 31.346 69 HB2 HIS 9 HB2 HIS 9 34.500 23.369 28.940 70 HB3 HIS 9 HB3 HIS 9 34.871 25.062 28.608 71 HD2 HIS 9 HD2 HIS 9 37.401 25.653 28.560 72 HE1 HIS 9 HE1 HIS 9 38.972 22.369 30.779 73 HE2 HIS 9 HE2 HIS 9 39.572 24.465 29.460 74 H THR 10 H THR 10 33.430 27.206 30.543 75 HA THR 10 HA THR 10 35.290 28.253 32.531 76 HB THR 10 HB THR 10 36.828 28.033 30.681 77 HG1 THR 10 HG1 THR 10 37.617 29.906 31.083 78 HG21 THR 10 HG21 THR 10 34.954 29.857 29.100 79 HG22 THR 10 HG22 THR 10 36.592 29.361 28.624 80 HG23 THR 10 HG23 THR 10 35.305 28.152 28.736 81 H GLY 11 H GLY 11 35.051 30.555 32.908 82 HA2 GLY 11 HA2 GLY 11 32.242 31.359 32.854 83 HA3 GLY 11 HA3 GLY 11 33.568 32.203 33.641 84 H CYS 12 H CYS 12 34.212 31.596 30.298 85 HA CYS 12 HA CYS 12 34.488 34.400 29.838 86 HB2 CYS 12 HB2 CYS 12 34.673 32.133 27.861 87 HB3 CYS 12 HB3 CYS 12 35.224 33.782 27.607 88 H LYS 13 H LYS 13 33.248 35.889 28.938 89 HA LYS 13 HA LYS 13 30.566 35.467 28.025 90 HB2 LYS 13 HB2 LYS 13 30.599 37.851 27.533 91 HB3 LYS 13 HB3 LYS 13 31.369 37.524 29.084 92 HG2 LYS 13 HG2 LYS 13 33.623 37.571 27.733 93 HG3 LYS 13 HG3 LYS 13 32.678 38.356 26.466 94 HD2 LYS 13 HD2 LYS 13 32.954 39.303 29.353 95 HD3 LYS 13 HD3 LYS 13 33.889 39.918 27.996 96 HE2 LYS 13 HE2 LYS 13 31.874 40.808 26.919 97 HE3 LYS 13 HE3 LYS 13 30.856 40.066 28.161 98 HZ1 LYS 13 HZ1 LYS 13 31.164 42.374 28.717 99 HZ2 LYS 13 HZ2 LYS 13 32.024 41.499 29.812 100 HZ3 LYS 13 HZ3 LYS 13 32.786 42.274 28.590 101 H TYR 14 H TYR 14 29.633 35.901 26.004 102 HA TYR 14 HA TYR 14 31.272 35.138 23.608 103 HB2 TYR 14 HB2 TYR 14 28.417 34.513 24.381 104 HB3 TYR 14 HB3 TYR 14 29.030 34.351 22.740 105 HD1 TYR 14 HD1 TYR 14 30.395 32.512 22.060 106 HD2 TYR 14 HD2 TYR 14 29.484 33.108 26.242 107 HE1 TYR 14 HE1 TYR 14 31.361 30.289 22.586 108 HE2 TYR 14 HE2 TYR 14 30.460 30.882 26.759 109 HH TYR 14 HH TYR 14 32.123 28.890 24.363 110 H THR 15 H THR 15 31.761 37.091 22.658 111 HA THR 15 HA THR 15 29.897 39.329 22.681 112 HB THR 15 HB THR 15 31.594 40.471 21.287 113 HG1 THR 15 HG1 THR 15 33.520 39.493 20.939 114 HG21 THR 15 HG21 THR 15 33.305 40.644 22.998 115 HG22 THR 15 HG22 THR 15 31.710 40.565 23.761 116 HG23 THR 15 HG23 THR 15 32.765 39.131 23.760 117 H CYS 16 H CYS 16 28.854 40.291 20.991 118 HA CYS 16 HA CYS 16 28.471 38.721 18.476 119 HB2 CYS 16 HB2 CYS 16 26.800 41.000 19.611 120 HB3 CYS 16 HB3 CYS 16 26.496 40.099 18.134 121 H ALA 17 H ALA 17 28.839 39.852 16.489 122 HA ALA 17 HA ALA 17 30.857 41.894 16.596 123 HB1 ALA 17 HB1 ALA 17 30.795 40.185 14.910 124 HB2 ALA 17 HB2 ALA 17 29.222 40.760 14.307 125 HB3 ALA 17 HB3 ALA 17 30.681 41.778 14.143 126 H LYS 18 H LYS 18 27.354 42.130 16.306 127 HA LYS 18 HA LYS 18 27.504 45.036 16.788 128 HB2 LYS 18 HB2 LYS 18 25.695 43.891 14.629 129 HB3 LYS 18 HB3 LYS 18 25.701 45.557 15.201 130 HG2 LYS 18 HG2 LYS 18 27.983 44.196 13.773 131 HG3 LYS 18 HG3 LYS 18 26.801 45.248 13.004 132 HD2 LYS 18 HD2 LYS 18 27.555 47.167 14.298 133 HD3 LYS 18 HD3 LYS 18 28.682 46.188 15.228 134 HE2 LYS 18 HE2 LYS 18 28.789 46.700 12.232 135 HE3 LYS 18 HE3 LYS 18 29.844 47.424 13.447 136 HZ1 LYS 18 HZ1 LYS 18 30.780 45.238 13.892 137 HZ2 LYS 18 HZ2 LYS 18 29.729 44.511 12.852 138 HZ3 LYS 18 HZ3 LYS 18 30.858 45.511 12.272 139 H LEU 19 H LEU 19 25.727 45.884 17.853 140 HA LEU 19 HA LEU 19 24.086 44.109 19.494 141 HB2 LEU 19 HB2 LEU 19 23.707 47.037 18.722 142 HB3 LEU 19 HB3 LEU 19 22.819 46.207 19.990 143 HG LEU 19 HG LEU 19 25.837 46.677 20.021 144 HD11 LEU 19 HD11 LEU 19 25.340 48.401 21.706 145 HD12 LEU 19 HD12 LEU 19 24.568 48.789 20.161 146 HD13 LEU 19 HD13 LEU 19 23.595 48.127 21.495 147 HD21 LEU 19 HD21 LEU 19 25.199 44.753 21.405 148 HD22 LEU 19 HD22 LEU 19 25.626 46.147 22.421 149 HD23 LEU 19 HD23 LEU 19 23.915 45.726 22.186 150 H GLY 20 H GLY 20 22.037 43.312 19.083 151 HA2 GLY 20 HA2 GLY 20 20.120 42.807 17.868 152 HA3 GLY 20 HA3 GLY 20 20.507 44.081 16.720 153 H ASP 21 H ASP 21 23.240 42.027 16.828 154 HA ASP 21 HA ASP 21 22.509 40.566 14.413 155 HB2 ASP 21 HB2 ASP 21 24.788 41.469 14.892 156 HB3 ASP 21 HB3 ASP 21 24.963 40.276 16.181 157 H ASN 22 H ASN 22 20.579 39.889 16.048 158 HA ASN 22 HA ASN 22 20.963 38.071 18.085 159 HB2 ASN 22 HB2 ASN 22 18.548 38.430 16.268 160 HB3 ASN 22 HB3 ASN 22 18.515 37.648 17.847 161 HD21 ASN 22 HD21 ASN 22 17.391 41.112 18.407 162 HD22 ASN 22 HD22 ASN 22 16.803 39.692 17.525 163 H ASP 23 H ASP 23 20.444 37.235 14.662 164 HA ASP 23 HA ASP 23 20.048 34.498 14.877 165 HB2 ASP 23 HB2 ASP 23 21.636 35.896 12.694 166 HB3 ASP 23 HB3 ASP 23 20.770 34.366 12.566 167 H TYR 24 H TYR 24 23.090 36.187 15.338 168 HA TYR 24 HA TYR 24 24.818 33.799 15.232 169 HB2 TYR 24 HB2 TYR 24 25.691 36.025 14.745 170 HB3 TYR 24 HB3 TYR 24 25.155 36.637 16.292 171 HD1 TYR 24 HD1 TYR 24 26.352 36.176 18.371 172 HD2 TYR 24 HD2 TYR 24 27.685 34.575 14.590 173 HE1 TYR 24 HE1 TYR 24 28.571 35.640 19.368 174 HE2 TYR 24 HE2 TYR 24 29.914 34.099 15.587 175 HH TYR 24 HH TYR 24 31.294 34.708 17.388 176 H CYS 25 H CYS 25 23.285 35.795 17.814 177 HA CYS 25 HA CYS 25 24.305 34.196 20.002 178 HB2 CYS 25 HB2 CYS 25 23.646 36.482 20.335 179 HB3 CYS 25 HB3 CYS 25 22.019 36.170 19.739 180 H VAL 26 H VAL 26 21.271 34.056 18.103 181 HA VAL 26 HA VAL 26 19.951 31.994 19.547 182 HB VAL 26 HB VAL 26 19.953 32.660 16.576 183 HG11 VAL 26 HG11 VAL 26 18.088 30.792 18.116 184 HG12 VAL 26 HG12 VAL 26 17.790 31.409 16.475 185 HG13 VAL 26 HG13 VAL 26 19.164 30.351 16.771 186 HG21 VAL 26 HG21 VAL 26 19.035 34.413 18.177 187 HG22 VAL 26 HG22 VAL 26 17.857 33.783 17.035 188 HG23 VAL 26 HG23 VAL 26 17.852 33.216 18.719 189 H ARG 27 H ARG 27 22.324 31.625 16.804 190 HA ARG 27 HA ARG 27 22.494 28.822 16.794 191 HB2 ARG 27 HB2 ARG 27 23.367 30.455 15.109 192 HB3 ARG 27 HB3 ARG 27 24.613 30.955 16.245 193 HG2 ARG 27 HG2 ARG 27 25.478 28.567 16.245 194 HG3 ARG 27 HG3 ARG 27 24.282 28.227 14.980 195 HD2 ARG 27 HD2 ARG 27 26.084 28.777 13.694 196 HD3 ARG 27 HD3 ARG 27 25.332 30.358 13.822 197 HE ARG 27 HE ARG 27 27.324 29.856 15.928 198 HH11 ARG 27 HH11 ARG 27 27.073 31.007 12.603 199 HH12 ARG 27 HH12 ARG 27 28.498 32.010 12.829 200 HH21 ARG 27 HH21 ARG 27 29.139 30.898 15.999 201 HH22 ARG 27 HH22 ARG 27 29.788 31.770 14.601 202 H GLU 28 H GLU 28 24.706 31.128 18.475 203 HA GLU 28 HA GLU 28 26.164 28.969 19.671 204 HB2 GLU 28 HB2 GLU 28 26.000 31.899 20.426 205 HB3 GLU 28 HB3 GLU 28 27.161 30.771 21.122 206 HG2 GLU 28 HG2 GLU 28 27.005 31.659 18.226 207 HG3 GLU 28 HG3 GLU 28 28.283 32.006 19.392 208 H CYS 29 H CYS 29 23.379 30.810 20.986 209 HA CYS 29 HA CYS 29 23.565 29.663 23.628 210 HB2 CYS 29 HB2 CYS 29 22.285 31.723 23.073 211 HB3 CYS 29 HB3 CYS 29 21.148 30.757 22.134 212 H ARG 30 H ARG 30 21.652 28.701 20.695 213 HA ARG 30 HA ARG 30 20.568 26.381 22.035 214 HB2 ARG 30 HB2 ARG 30 19.385 25.932 20.130 215 HB3 ARG 30 HB3 ARG 30 19.550 27.686 20.091 216 HG2 ARG 30 HG2 ARG 30 21.434 27.419 18.439 217 HG3 ARG 30 HG3 ARG 30 21.172 25.680 18.427 218 HD2 ARG 30 HD2 ARG 30 19.061 27.766 17.708 219 HD3 ARG 30 HD3 ARG 30 20.070 26.929 16.538 220 HE ARG 30 HE ARG 30 17.977 25.659 18.277 221 HH11 ARG 30 HH11 ARG 30 19.976 25.321 15.360 222 HH12 ARG 30 HH12 ARG 30 19.104 23.852 14.938 223 HH21 ARG 30 HH21 ARG 30 17.026 23.851 17.609 224 HH22 ARG 30 HH22 ARG 30 17.555 23.070 16.120 225 H LEU 31 H LEU 31 23.582 26.834 20.345 226 HA LEU 31 HA LEU 31 24.114 23.935 20.246 227 HB2 LEU 31 HB2 LEU 31 25.834 26.408 19.855 228 HB3 LEU 31 HB3 LEU 31 26.480 24.770 19.782 229 HG LEU 31 HG LEU 31 24.239 25.754 17.961 230 HD11 LEU 31 HD11 LEU 31 26.410 26.975 17.620 231 HD12 LEU 31 HD12 LEU 31 27.216 25.413 17.376 232 HD13 LEU 31 HD13 LEU 31 25.964 25.953 16.237 233 HD21 LEU 31 HD21 LEU 31 26.017 23.278 17.891 234 HD22 LEU 31 HD22 LEU 31 24.254 23.316 18.154 235 HD23 LEU 31 HD23 LEU 31 24.925 23.790 16.590 236 H ARG 32 H ARG 32 24.819 26.588 22.540 237 HA ARG 32 HA ARG 32 26.597 24.949 24.134 238 HB2 ARG 32 HB2 ARG 32 26.564 27.532 23.882 239 HB3 ARG 32 HB3 ARG 32 25.242 27.517 25.030 240 HG2 ARG 32 HG2 ARG 32 27.346 28.011 26.146 241 HG3 ARG 32 HG3 ARG 32 26.725 26.472 26.729 242 HD2 ARG 32 HD2 ARG 32 29.176 26.454 26.347 243 HD3 ARG 32 HD3 ARG 32 28.342 25.243 25.381 244 HE ARG 32 HE ARG 32 28.513 27.473 23.704 245 HH11 ARG 32 HH11 ARG 32 31.101 25.713 25.358 246 HH12 ARG 32 HH12 ARG 32 32.056 25.739 23.882 247 HH21 ARG 32 HH21 ARG 32 29.836 27.555 22.080 248 HH22 ARG 32 HH22 ARG 32 31.448 26.830 22.162 249 H TYR 33 H TYR 33 23.241 26.074 24.655 250 HA TYR 33 HA TYR 33 23.070 24.472 27.153 251 HB2 TYR 33 HB2 TYR 33 21.145 26.499 25.985 252 HB3 TYR 33 HB3 TYR 33 20.971 25.679 27.528 253 HD1 TYR 33 HD1 TYR 33 24.272 26.165 27.922 254 HD2 TYR 33 HD2 TYR 33 20.718 28.544 27.335 255 HE1 TYR 33 HE1 TYR 33 25.379 28.076 29.027 256 HE2 TYR 33 HE2 TYR 33 21.853 30.478 28.453 257 HH TYR 33 HH TYR 33 23.804 31.215 29.587 258 H TYR 34 H TYR 34 20.616 25.005 24.550 259 HA TYR 34 HA TYR 34 20.349 22.188 24.046 260 HB2 TYR 34 HB2 TYR 34 18.299 21.694 25.031 261 HB3 TYR 34 HB3 TYR 34 19.207 22.472 26.305 262 HD1 TYR 34 HD1 TYR 34 16.050 22.155 25.135 263 HD2 TYR 34 HD2 TYR 34 18.835 25.253 26.243 264 HE1 TYR 34 HE1 TYR 34 14.168 23.699 25.570 265 HE2 TYR 34 HE2 TYR 34 16.966 26.822 26.615 266 HH TYR 34 HH TYR 34 13.539 25.782 26.124 267 H GLN 35 H GLN 35 18.826 21.680 22.393 268 HA GLN 35 HA GLN 35 19.102 23.393 20.254 269 HB2 GLN 35 HB2 GLN 35 17.973 21.786 18.991 270 HB3 GLN 35 HB3 GLN 35 18.739 20.919 20.308 271 HG2 GLN 35 HG2 GLN 35 15.775 21.629 20.101 272 HG3 GLN 35 HG3 GLN 35 16.485 20.050 19.798 273 HE21 GLN 35 HE21 GLN 35 15.244 20.668 23.474 274 HE22 GLN 35 HE22 GLN 35 14.672 21.577 22.069 275 H SER 36 H SER 36 16.322 23.448 22.419 276 HA SER 36 HA SER 36 14.743 25.080 20.528 277 HB2 SER 36 HB2 SER 36 14.114 23.959 23.276 278 HB3 SER 36 HB3 SER 36 12.987 24.880 22.276 279 HG SER 36 HG SER 36 12.791 22.603 22.117 280 H ALA 37 H ALA 37 17.265 25.931 22.449 281 HA ALA 37 HA ALA 37 16.163 28.213 23.841 282 HB1 ALA 37 HB1 ALA 37 18.454 28.887 24.151 283 HB2 ALA 37 HB2 ALA 37 18.364 27.130 24.357 284 HB3 ALA 37 HB3 ALA 37 19.006 27.814 22.849 285 H HIS 38 H HIS 38 16.260 30.434 23.346 286 HA HIS 38 HA HIS 38 16.810 31.279 20.527 287 HB2 HIS 38 HB2 HIS 38 14.600 32.186 22.405 288 HB3 HIS 38 HB3 HIS 38 15.021 33.023 20.915 289 HD2 HIS 38 HD2 HIS 38 13.442 29.711 22.128 290 HE1 HIS 38 HE1 HIS 38 12.381 30.170 18.038 291 HE2 HIS 38 HE2 HIS 38 12.028 28.763 20.137 292 H GLY 39 H GLY 39 17.040 33.913 20.674 293 HA2 GLY 39 HA2 GLY 39 17.885 35.122 23.038 294 HA3 GLY 39 HA3 GLY 39 19.347 34.461 22.313 295 H TYR 40 H TYR 40 19.580 36.935 22.648 296 HA TYR 40 HA TYR 40 19.658 38.125 19.985 297 HB2 TYR 40 HB2 TYR 40 18.647 40.266 20.718 298 HB3 TYR 40 HB3 TYR 40 17.513 38.941 20.681 299 HD1 TYR 40 HD1 TYR 40 19.609 41.076 22.926 300 HD2 TYR 40 HD2 TYR 40 16.259 38.388 22.615 301 HE1 TYR 40 HE1 TYR 40 18.850 41.759 25.201 302 HE2 TYR 40 HE2 TYR 40 15.472 39.129 24.854 303 HH TYR 40 HH TYR 40 15.744 40.569 26.501 304 H CYS 41 H CYS 41 20.853 40.282 20.049 305 HA CYS 41 HA CYS 41 23.221 39.990 21.860 306 HB2 CYS 41 HB2 CYS 41 22.850 41.258 19.141 307 HB3 CYS 41 HB3 CYS 41 24.336 41.385 20.084 308 H TYR 42 H TYR 42 23.436 41.359 23.480 309 HA TYR 42 HA TYR 42 22.655 44.201 23.319 310 HB2 TYR 42 HB2 TYR 42 20.626 42.885 24.040 311 HB3 TYR 42 HB3 TYR 42 21.520 42.357 25.457 312 HD1 TYR 42 HD1 TYR 42 21.975 43.961 27.312 313 HD2 TYR 42 HD2 TYR 42 19.803 45.151 23.772 314 HE1 TYR 42 HE1 TYR 42 21.178 46.020 28.477 315 HE2 TYR 42 HE2 TYR 42 18.991 47.188 24.955 316 HH TYR 42 HH TYR 42 20.305 48.517 27.459 317 H ALA 43 H ALA 43 23.790 45.486 24.960 318 HA ALA 43 HA ALA 43 25.771 46.008 25.920 319 HB1 ALA 43 HB1 ALA 43 24.463 45.154 27.832 320 HB2 ALA 43 HB2 ALA 43 25.221 43.556 27.627 321 HB3 ALA 43 HB3 ALA 43 26.208 44.969 28.052 322 H PHE 44 H PHE 44 26.155 44.840 23.575 323 HA PHE 44 HA PHE 44 27.433 43.796 22.116 324 HB2 PHE 44 HB2 PHE 44 29.655 44.178 24.121 325 HB3 PHE 44 HB3 PHE 44 29.837 43.927 22.390 326 HD1 PHE 44 HD1 PHE 44 28.141 45.694 20.980 327 HD2 PHE 44 HD2 PHE 44 30.154 46.390 24.722 328 HE1 PHE 44 HE1 PHE 44 28.147 48.120 20.514 329 HE2 PHE 44 HE2 PHE 44 30.171 48.828 24.252 330 HZ PHE 44 HZ PHE 44 29.197 49.696 22.135 331 H ALA 45 H ALA 45 26.353 41.951 24.459 332 HA ALA 45 HA ALA 45 27.842 39.531 23.574 333 HB1 ALA 45 HB1 ALA 45 27.786 38.747 25.899 334 HB2 ALA 45 HB2 ALA 45 28.639 40.300 25.773 335 HB3 ALA 45 HB3 ALA 45 26.972 40.254 26.389 336 H CYS 46 H CYS 46 26.767 37.498 23.920 337 HA CYS 46 HA CYS 46 24.033 37.578 22.968 338 HB2 CYS 46 HB2 CYS 46 25.573 35.942 22.155 339 HB3 CYS 46 HB3 CYS 46 25.889 35.337 23.777 340 H TRP 47 H TRP 47 22.195 37.515 23.982 341 HA TRP 47 HA TRP 47 21.954 36.566 26.809 342 HB2 TRP 47 HB2 TRP 47 21.735 39.005 26.636 343 HB3 TRP 47 HB3 TRP 47 20.521 38.834 25.379 344 HD1 TRP 47 HD1 TRP 47 18.097 38.161 26.095 345 HE1 TRP 47 HE1 TRP 47 16.814 38.306 28.326 346 HE3 TRP 47 HE3 TRP 47 22.073 38.578 29.266 347 HZ2 TRP 47 HZ2 TRP 47 17.465 38.388 31.139 348 HZ3 TRP 47 HZ3 TRP 47 21.724 38.682 31.731 349 HH2 TRP 47 HH2 TRP 47 19.424 38.556 32.672 350 H CYS 48 H CYS 48 20.784 34.774 26.915 351 HA CYS 48 HA CYS 48 19.308 33.744 24.622 352 HB2 CYS 48 HB2 CYS 48 19.824 32.700 27.409 353 HB3 CYS 48 HB3 CYS 48 19.020 31.798 26.126 354 H THR 49 H THR 49 17.117 33.162 24.603 355 HA THR 49 HA THR 49 15.320 34.142 26.759 356 HB THR 49 HB THR 49 13.715 34.971 25.102 357 HG1 THR 49 HG1 THR 49 14.431 35.341 22.987 358 HG21 THR 49 HG21 THR 49 15.387 36.569 26.084 359 HG22 THR 49 HG22 THR 49 16.389 36.335 24.638 360 HG23 THR 49 HG23 THR 49 14.751 37.020 24.495 361 H HIS 50 H HIS 50 13.137 33.292 26.671 362 HA HIS 50 HA HIS 50 11.704 31.593 26.802 363 HB2 HIS 50 HB2 HIS 50 12.686 30.883 24.031 364 HB3 HIS 50 HB3 HIS 50 11.158 30.391 24.762 365 HD2 HIS 50 HD2 HIS 50 12.698 33.231 22.809 366 HE1 HIS 50 HE1 HIS 50 9.054 34.818 24.311 367 HE2 HIS 50 HE2 HIS 50 10.966 35.223 22.702 368 H LEU 51 H LEU 51 14.175 31.107 28.065 369 HA LEU 51 HA LEU 51 15.226 28.483 27.506 370 HB2 LEU 51 HB2 LEU 51 15.472 30.353 29.902 371 HB3 LEU 51 HB3 LEU 51 16.380 28.862 29.751 372 HG LEU 51 HG LEU 51 16.630 31.241 27.856 373 HD11 LEU 51 HD11 LEU 51 18.801 31.547 28.973 374 HD12 LEU 51 HD12 LEU 51 17.497 31.617 30.162 375 HD13 LEU 51 HD13 LEU 51 18.489 30.153 30.022 376 HD21 LEU 51 HD21 LEU 51 17.178 29.220 26.641 377 HD22 LEU 51 HD22 LEU 51 18.709 29.940 27.138 378 HD23 LEU 51 HD23 LEU 51 18.079 28.553 28.034 379 H TYR 52 H TYR 52 15.129 26.580 28.623 380 HA TYR 52 HA TYR 52 12.859 25.901 30.237 381 HB2 TYR 52 HB2 TYR 52 14.047 23.818 30.678 382 HB3 TYR 52 HB3 TYR 52 13.950 24.210 28.986 383 HD1 TYR 52 HD1 TYR 52 16.744 26.158 30.122 384 HD2 TYR 52 HD2 TYR 52 15.497 22.109 29.301 385 HE1 TYR 52 HE1 TYR 52 19.102 25.489 29.805 386 HE2 TYR 52 HE2 TYR 52 17.870 21.454 28.973 387 HH TYR 52 HH TYR 52 20.032 22.216 28.765 388 H GLU 53 H GLU 53 12.764 25.358 32.465 389 HA GLU 53 HA GLU 53 13.998 27.147 34.300 390 HB2 GLU 53 HB2 GLU 53 12.979 25.776 36.007 391 HB3 GLU 53 HB3 GLU 53 11.837 26.091 34.717 392 HG2 GLU 53 HG2 GLU 53 13.401 23.484 34.727 393 HG3 GLU 53 HG3 GLU 53 12.078 23.711 35.852 394 H GLN 54 H GLN 54 15.328 24.344 32.857 395 HA GLN 54 HA GLN 54 17.072 23.558 35.046 396 HB2 GLN 54 HB2 GLN 54 17.149 22.663 32.145 397 HB3 GLN 54 HB3 GLN 54 17.878 21.877 33.551 398 HG2 GLN 54 HG2 GLN 54 15.468 21.766 34.520 399 HG3 GLN 54 HG3 GLN 54 14.913 22.157 32.892 400 HE21 GLN 54 HE21 GLN 54 14.753 18.495 33.203 401 HE22 GLN 54 HE22 GLN 54 13.853 19.910 33.709 402 H ALA 55 H ALA 55 17.342 26.142 32.841 403 HA ALA 55 HA ALA 55 20.132 26.123 32.264 404 HB1 ALA 55 HB1 ALA 55 18.467 27.474 31.036 405 HB2 ALA 55 HB2 ALA 55 18.158 28.442 32.493 406 HB3 ALA 55 HB3 ALA 55 19.746 28.503 31.694 407 H VAL 56 H VAL 56 21.888 27.349 33.127 408 HA VAL 56 HA VAL 56 21.593 28.834 35.630 409 HB VAL 56 HB VAL 56 21.799 26.517 36.400 410 HG11 VAL 56 HG11 VAL 56 23.850 25.269 36.280 411 HG12 VAL 56 HG12 VAL 56 23.303 25.622 34.632 412 HG13 VAL 56 HG13 VAL 56 24.644 26.548 35.343 413 HG21 VAL 56 HG21 VAL 56 24.200 28.228 37.149 414 HG22 VAL 56 HG22 VAL 56 22.550 28.391 37.809 415 HG23 VAL 56 HG23 VAL 56 23.484 26.918 38.104 416 H VAL 57 H VAL 57 22.972 30.478 35.792 417 HA VAL 57 HA VAL 57 25.248 30.711 33.855 418 HB VAL 57 HB VAL 57 23.067 32.756 34.411 419 HG11 VAL 57 HG11 VAL 57 25.404 32.872 32.465 420 HG12 VAL 57 HG12 VAL 57 24.076 34.043 32.597 421 HG13 VAL 57 HG13 VAL 57 25.214 33.871 33.930 422 HG21 VAL 57 HG21 VAL 57 23.615 31.051 31.956 423 HG22 VAL 57 HG22 VAL 57 22.170 30.994 32.990 424 HG23 VAL 57 HG23 VAL 57 22.483 32.423 32.005 425 H TRP 58 H TRP 58 23.800 32.686 36.538 426 HA TRP 58 HA TRP 58 26.466 33.634 37.251 427 HB2 TRP 58 HB2 TRP 58 23.897 34.198 38.733 428 HB3 TRP 58 HB3 TRP 58 25.395 35.116 38.761 429 HD1 TRP 58 HD1 TRP 58 26.066 36.348 36.396 430 HE1 TRP 58 HE1 TRP 58 24.612 37.369 34.540 431 HE3 TRP 58 HE3 TRP 58 21.577 34.217 37.642 432 HZ2 TRP 58 HZ2 TRP 58 21.922 37.039 33.558 433 HZ3 TRP 58 HZ3 TRP 58 19.573 34.588 36.212 434 HH2 TRP 58 HH2 TRP 58 19.729 35.974 34.162 435 HA PRO 59 HA PRO 59 25.876 30.960 41.196 436 HB2 PRO 59 HB2 PRO 59 24.311 28.642 40.078 437 HB3 PRO 59 HB3 PRO 59 24.285 29.338 41.727 438 HG2 PRO 59 HG2 PRO 59 22.304 29.919 39.980 439 HG3 PRO 59 HG3 PRO 59 23.017 31.233 40.983 440 HD2 PRO 59 HD2 PRO 59 23.686 30.465 38.119 441 HD3 PRO 59 HD3 PRO 59 23.293 32.071 38.794 442 H LEU 60 H LEU 60 27.461 30.558 38.492 443 HA LEU 60 HA LEU 60 28.657 27.922 38.685 444 HB2 LEU 60 HB2 LEU 60 29.216 30.485 37.223 445 HB3 LEU 60 HB3 LEU 60 30.569 29.388 37.474 446 HG LEU 60 HG LEU 60 29.554 27.610 36.283 447 HD11 LEU 60 HD11 LEU 60 27.215 27.754 36.918 448 HD12 LEU 60 HD12 LEU 60 27.038 29.296 36.048 449 HD13 LEU 60 HD13 LEU 60 27.352 27.791 35.160 450 HD21 LEU 60 HD21 LEU 60 30.643 29.388 34.953 451 HD22 LEU 60 HD22 LEU 60 29.327 28.622 34.050 452 HD23 LEU 60 HD23 LEU 60 29.082 30.223 34.782 453 HA PRO 61 HA PRO 61 30.574 29.152 42.498 454 HB2 PRO 61 HB2 PRO 61 31.813 26.823 43.244 455 HB3 PRO 61 HB3 PRO 61 30.041 27.035 43.247 456 HG2 PRO 61 HG2 PRO 61 31.730 25.773 41.078 457 HG3 PRO 61 HG3 PRO 61 30.256 25.117 41.864 458 HD2 PRO 61 HD2 PRO 61 30.126 26.428 39.493 459 HD3 PRO 61 HD3 PRO 61 28.868 26.658 40.739 460 H ASN 62 H ASN 62 32.672 27.873 39.874 461 HA ASN 62 HA ASN 62 35.019 29.242 41.157 462 HB2 ASN 62 HB2 ASN 62 34.751 26.421 40.044 463 HB3 ASN 62 HB3 ASN 62 36.232 27.142 40.582 464 HD21 ASN 62 HD21 ASN 62 33.990 25.296 43.260 465 HD22 ASN 62 HD22 ASN 62 33.920 25.052 41.513 466 H LYS 63 H LYS 63 33.706 28.056 38.049 467 HA LYS 63 HA LYS 63 36.035 28.637 36.494 468 HB2 LYS 63 HB2 LYS 63 33.189 27.932 35.928 469 HB3 LYS 63 HB3 LYS 63 34.004 28.832 34.666 470 HG2 LYS 63 HG2 LYS 63 34.275 26.556 34.149 471 HG3 LYS 63 HG3 LYS 63 35.852 27.176 34.624 472 HD2 LYS 63 HD2 LYS 63 35.612 26.065 36.846 473 HD3 LYS 63 HD3 LYS 63 34.003 25.496 36.351 474 HE2 LYS 63 HE2 LYS 63 35.129 24.377 34.338 475 HE3 LYS 63 HE3 LYS 63 36.678 24.746 35.101 476 HZ1 LYS 63 HZ1 LYS 63 35.900 22.504 35.655 477 HZ2 LYS 63 HZ2 LYS 63 35.963 23.403 37.032 478 HZ3 LYS 63 HZ3 LYS 63 34.526 23.102 36.288 479 H ARG 64 H ARG 64 37.005 30.542 36.421 480 HA ARG 64 HA ARG 64 35.421 33.088 36.063 481 HB2 ARG 64 HB2 ARG 64 37.698 32.339 37.870 482 HB3 ARG 64 HB3 ARG 64 37.798 33.902 37.101 483 HG2 ARG 64 HG2 ARG 64 36.880 34.199 39.239 484 HG3 ARG 64 HG3 ARG 64 35.647 34.601 38.070 485 HD2 ARG 64 HD2 ARG 64 35.750 31.933 39.531 486 HD3 ARG 64 HD3 ARG 64 34.975 33.370 40.188 487 HE ARG 64 HE ARG 64 34.042 32.585 37.503 488 HH11 ARG 64 HH11 ARG 64 33.390 32.042 40.927 489 HH12 ARG 64 HH12 ARG 64 31.709 31.660 40.539 490 HH21 ARG 64 HH21 ARG 64 31.857 32.385 37.252 491 HH22 ARG 64 HH22 ARG 64 30.894 32.037 38.681 492 H CYS 65 H CYS 65 36.088 34.648 34.671 493 HA CYS 65 HA CYS 65 38.474 34.476 33.034 494 HB2 CYS 65 HB2 CYS 65 37.263 32.657 31.987 495 HB3 CYS 65 HB3 CYS 65 35.800 33.630 31.878 496 H LYS 66 H LYS 66 38.901 36.431 32.051 497 HA LYS 66 HA LYS 66 37.429 38.774 32.857 498 HB2 LYS 66 HB2 LYS 66 39.874 38.709 32.508 499 HB3 LYS 66 HB3 LYS 66 39.648 38.346 30.806 500 HG2 LYS 66 HG2 LYS 66 40.288 40.653 31.035 501 HG3 LYS 66 HG3 LYS 66 38.653 40.562 30.415 502 HD2 LYS 66 HD2 LYS 66 38.670 42.329 31.996 503 HD3 LYS 66 HD3 LYS 66 37.824 41.000 32.793 504 HE2 LYS 66 HE2 LYS 66 39.963 40.400 33.973 505 HE3 LYS 66 HE3 LYS 66 40.764 41.753 33.162 506 HZ1 LYS 66 HZ1 LYS 66 40.098 42.427 35.332 507 HZ2 LYS 66 HZ2 LYS 66 39.159 43.240 34.274 508 HZ3 LYS 66 HZ3 LYS 66 38.528 41.945 35.088 509 HN1 NH2 67 HN1 NH2 67 37.327 36.893 29.820 510 HN2 NH2 67 HN2 NH2 67 36.129 37.921 29.055 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 12.559 31.583 31.992 2 H2 LYS 1 H2 LYS 1 12.689 30.833 33.448 3 H3 LYS 1 H3 LYS 1 13.452 30.215 32.139 4 HA LYS 1 HA LYS 1 14.070 32.769 33.452 5 HB2 LYS 1 HB2 LYS 1 15.603 30.136 33.321 6 HB3 LYS 1 HB3 LYS 1 16.365 31.676 33.731 7 HG2 LYS 1 HG2 LYS 1 14.768 31.976 35.610 8 HG3 LYS 1 HG3 LYS 1 14.091 30.368 35.272 9 HD2 LYS 1 HD2 LYS 1 16.273 29.320 35.744 10 HD3 LYS 1 HD3 LYS 1 17.016 30.917 35.968 11 HE2 LYS 1 HE2 LYS 1 15.561 31.404 37.867 12 HE3 LYS 1 HE3 LYS 1 14.676 29.894 37.630 13 HZ1 LYS 1 HZ1 LYS 1 16.369 29.772 39.402 14 HZ2 LYS 1 HZ2 LYS 1 16.617 28.663 38.228 15 HZ3 LYS 1 HZ3 LYS 1 17.561 30.029 38.304 16 H GLU 2 H GLU 2 15.679 34.050 32.552 17 HA GLU 2 HA GLU 2 16.706 33.330 29.834 18 HB2 GLU 2 HB2 GLU 2 16.503 36.189 30.120 19 HB3 GLU 2 HB3 GLU 2 15.954 35.165 28.817 20 HG2 GLU 2 HG2 GLU 2 14.382 35.802 31.353 21 HG3 GLU 2 HG3 GLU 2 14.258 36.666 29.845 22 H GLY 3 H GLY 3 18.765 34.474 29.279 23 HA2 GLY 3 HA2 GLY 3 20.244 36.060 31.059 24 HA3 GLY 3 HA3 GLY 3 20.651 34.396 31.470 25 H TYR 4 H TYR 4 22.734 35.878 30.713 26 HA TYR 4 HA TYR 4 23.201 35.701 27.850 27 HB2 TYR 4 HB2 TYR 4 25.615 36.296 28.610 28 HB3 TYR 4 HB3 TYR 4 24.332 37.482 28.666 29 HD1 TYR 4 HD1 TYR 4 24.137 38.832 30.483 30 HD2 TYR 4 HD2 TYR 4 25.911 34.920 30.987 31 HE1 TYR 4 HE1 TYR 4 24.629 39.352 32.849 32 HE2 TYR 4 HE2 TYR 4 26.426 35.476 33.358 33 HH TYR 4 HH TYR 4 26.122 38.720 34.585 34 H LEU 5 H LEU 5 24.660 34.484 26.748 35 HA LEU 5 HA LEU 5 25.105 31.764 27.722 36 HB2 LEU 5 HB2 LEU 5 24.387 32.297 25.396 37 HB3 LEU 5 HB3 LEU 5 25.914 33.146 25.135 38 HG LEU 5 HG LEU 5 27.155 31.017 25.391 39 HD11 LEU 5 HD11 LEU 5 24.384 29.765 25.679 40 HD12 LEU 5 HD12 LEU 5 25.880 28.866 25.366 41 HD13 LEU 5 HD13 LEU 5 25.681 29.731 26.893 42 HD21 LEU 5 HD21 LEU 5 26.381 30.007 23.302 43 HD22 LEU 5 HD22 LEU 5 24.813 30.831 23.444 44 HD23 LEU 5 HD23 LEU 5 26.298 31.769 23.176 45 H VAL 6 H VAL 6 27.108 30.830 28.175 46 HA VAL 6 HA VAL 6 29.419 32.644 28.668 47 HB VAL 6 HB VAL 6 27.887 32.404 30.649 48 HG11 VAL 6 HG11 VAL 6 28.937 29.542 30.752 49 HG12 VAL 6 HG12 VAL 6 27.928 30.361 31.966 50 HG13 VAL 6 HG13 VAL 6 27.265 30.013 30.364 51 HG21 VAL 6 HG21 VAL 6 30.228 33.051 30.960 52 HG22 VAL 6 HG22 VAL 6 29.630 32.074 32.301 53 HG23 VAL 6 HG23 VAL 6 30.702 31.339 31.095 54 H ASP 7 H ASP 7 31.473 31.630 28.885 55 HA ASP 7 HA ASP 7 32.010 29.323 27.257 56 HB2 ASP 7 HB2 ASP 7 33.582 31.148 27.645 57 HB3 ASP 7 HB3 ASP 7 33.628 30.792 29.363 58 H TYR 8 H TYR 8 33.016 27.311 28.004 59 HA TYR 8 HA TYR 8 31.557 26.154 30.326 60 HB2 TYR 8 HB2 TYR 8 31.735 24.073 29.329 61 HB3 TYR 8 HB3 TYR 8 31.317 25.155 28.022 62 HD1 TYR 8 HD1 TYR 8 33.119 25.817 26.329 63 HD2 TYR 8 HD2 TYR 8 33.753 22.779 29.331 64 HE1 TYR 8 HE1 TYR 8 35.020 24.920 25.023 65 HE2 TYR 8 HE2 TYR 8 35.672 21.892 28.022 66 HH TYR 8 HH TYR 8 36.675 23.347 24.905 67 H HIS 9 H HIS 9 34.699 27.271 29.568 68 HA HIS 9 HA HIS 9 35.901 25.713 31.845 69 HB2 HIS 9 HB2 HIS 9 36.990 25.344 29.683 70 HB3 HIS 9 HB3 HIS 9 37.232 27.080 29.482 71 HD2 HIS 9 HD2 HIS 9 39.523 27.990 30.335 72 HE1 HIS 9 HE1 HIS 9 40.640 24.822 32.955 73 HE2 HIS 9 HE2 HIS 9 41.370 27.060 31.955 74 H THR 10 H THR 10 35.745 29.032 30.468 75 HA THR 10 HA THR 10 36.705 30.096 33.087 76 HB THR 10 HB THR 10 37.370 32.065 31.967 77 HG1 THR 10 HG1 THR 10 36.219 30.920 29.636 78 HG21 THR 10 HG21 THR 10 38.216 29.812 30.120 79 HG22 THR 10 HG22 THR 10 39.064 31.332 30.434 80 HG23 THR 10 HG23 THR 10 38.926 30.122 31.725 81 H GLY 11 H GLY 11 35.776 32.108 33.890 82 HA2 GLY 11 HA2 GLY 11 32.902 32.157 33.897 83 HA3 GLY 11 HA3 GLY 11 33.984 33.336 34.647 84 H CYS 12 H CYS 12 34.481 33.012 31.235 85 HA CYS 12 HA CYS 12 33.686 35.788 30.831 86 HB2 CYS 12 HB2 CYS 12 35.034 33.634 29.200 87 HB3 CYS 12 HB3 CYS 12 34.489 35.118 28.450 88 H LYS 13 H LYS 13 31.704 36.495 30.191 89 HA LYS 13 HA LYS 13 29.656 34.828 29.002 90 HB2 LYS 13 HB2 LYS 13 28.515 37.002 28.767 91 HB3 LYS 13 HB3 LYS 13 29.192 36.777 30.378 92 HG2 LYS 13 HG2 LYS 13 31.250 38.163 29.547 93 HG3 LYS 13 HG3 LYS 13 30.275 38.517 28.115 94 HD2 LYS 13 HD2 LYS 13 30.042 40.325 29.591 95 HD3 LYS 13 HD3 LYS 13 28.524 39.397 29.686 96 HE2 LYS 13 HE2 LYS 13 29.300 38.359 31.802 97 HE3 LYS 13 HE3 LYS 13 30.819 39.254 31.687 98 HZ1 LYS 13 HZ1 LYS 13 29.574 41.305 31.866 99 HZ2 LYS 13 HZ2 LYS 13 28.142 40.526 31.896 100 HZ3 LYS 13 HZ3 LYS 13 29.215 40.325 33.153 101 H TYR 14 H TYR 14 28.778 35.092 26.856 102 HA TYR 14 HA TYR 14 30.758 35.299 24.711 103 HB2 TYR 14 HB2 TYR 14 27.810 34.718 24.892 104 HB3 TYR 14 HB3 TYR 14 28.517 35.170 23.350 105 HD1 TYR 14 HD1 TYR 14 29.987 32.934 26.048 106 HD2 TYR 14 HD2 TYR 14 28.452 33.295 22.023 107 HE1 TYR 14 HE1 TYR 14 30.690 30.614 25.561 108 HE2 TYR 14 HE2 TYR 14 29.130 30.966 21.562 109 HH TYR 14 HH TYR 14 29.959 29.007 22.445 110 H THR 15 H THR 15 31.514 37.286 24.087 111 HA THR 15 HA THR 15 29.837 39.694 24.228 112 HB THR 15 HB THR 15 31.809 40.859 23.292 113 HG1 THR 15 HG1 THR 15 32.869 39.342 22.135 114 HG21 THR 15 HG21 THR 15 33.233 40.613 25.250 115 HG22 THR 15 HG22 THR 15 31.532 40.575 25.740 116 HG23 THR 15 HG23 THR 15 32.470 39.062 25.667 117 H CYS 16 H CYS 16 29.120 40.961 22.545 118 HA CYS 16 HA CYS 16 29.071 39.796 19.789 119 HB2 CYS 16 HB2 CYS 16 26.988 41.596 21.078 120 HB3 CYS 16 HB3 CYS 16 26.973 40.965 19.438 121 H ALA 17 H ALA 17 29.077 41.423 18.019 122 HA ALA 17 HA ALA 17 30.757 43.770 18.719 123 HB1 ALA 17 HB1 ALA 17 30.048 42.599 16.002 124 HB2 ALA 17 HB2 ALA 17 31.249 43.850 16.355 125 HB3 ALA 17 HB3 ALA 17 31.487 42.195 16.967 126 H LYS 18 H LYS 18 27.554 43.088 17.272 127 HA LYS 18 HA LYS 18 26.718 45.860 17.941 128 HB2 LYS 18 HB2 LYS 18 26.196 44.616 15.198 129 HB3 LYS 18 HB3 LYS 18 25.540 46.137 15.800 130 HG2 LYS 18 HG2 LYS 18 27.963 46.941 16.008 131 HG3 LYS 18 HG3 LYS 18 28.387 45.525 15.017 132 HD2 LYS 18 HD2 LYS 18 26.588 46.386 13.359 133 HD3 LYS 18 HD3 LYS 18 26.568 47.872 14.311 134 HE2 LYS 18 HE2 LYS 18 28.853 46.698 12.688 135 HE3 LYS 18 HE3 LYS 18 27.985 48.214 12.409 136 HZ1 LYS 18 HZ1 LYS 18 28.939 48.968 14.590 137 HZ2 LYS 18 HZ2 LYS 18 29.900 47.597 14.578 138 HZ3 LYS 18 HZ3 LYS 18 30.037 48.750 13.414 139 H LEU 19 H LEU 19 24.463 46.178 18.066 140 HA LEU 19 HA LEU 19 22.797 43.887 18.768 141 HB2 LEU 19 HB2 LEU 19 22.003 46.724 17.996 142 HB3 LEU 19 HB3 LEU 19 20.951 45.523 18.750 143 HG LEU 19 HG LEU 19 23.398 46.818 20.034 144 HD11 LEU 19 HD11 LEU 19 21.750 47.890 21.497 145 HD12 LEU 19 HD12 LEU 19 21.437 48.303 19.807 146 HD13 LEU 19 HD13 LEU 19 20.426 47.088 20.619 147 HD21 LEU 19 HD21 LEU 19 23.134 44.540 20.909 148 HD22 LEU 19 HD22 LEU 19 22.624 45.731 22.109 149 HD23 LEU 19 HD23 LEU 19 21.395 44.836 21.183 150 H GLY 20 H GLY 20 20.957 43.084 17.464 151 HA2 GLY 20 HA2 GLY 20 19.724 42.671 15.543 152 HA3 GLY 20 HA3 GLY 20 20.601 43.938 14.692 153 H ASP 21 H ASP 21 22.960 41.949 15.914 154 HA ASP 21 HA ASP 21 23.109 40.173 13.531 155 HB2 ASP 21 HB2 ASP 21 25.115 40.879 15.693 156 HB3 ASP 21 HB3 ASP 21 25.395 39.638 14.471 157 H ASN 22 H ASN 22 21.034 39.821 15.435 158 HA ASN 22 HA ASN 22 21.447 38.254 17.652 159 HB2 ASN 22 HB2 ASN 22 18.939 37.793 17.385 160 HB3 ASN 22 HB3 ASN 22 19.431 39.483 17.393 161 HD21 ASN 22 HD21 ASN 22 17.549 38.053 14.117 162 HD22 ASN 22 HD22 ASN 22 17.720 37.080 15.578 163 H ASP 23 H ASP 23 21.223 36.976 14.331 164 HA ASP 23 HA ASP 23 20.424 34.353 15.121 165 HB2 ASP 23 HB2 ASP 23 20.824 33.628 12.969 166 HB3 ASP 23 HB3 ASP 23 20.308 35.301 12.786 167 H TYR 24 H TYR 24 23.530 35.905 15.398 168 HA TYR 24 HA TYR 24 25.250 33.634 15.725 169 HB2 TYR 24 HB2 TYR 24 26.128 35.917 15.678 170 HB3 TYR 24 HB3 TYR 24 25.171 36.370 17.073 171 HD1 TYR 24 HD1 TYR 24 27.734 33.788 16.096 172 HD2 TYR 24 HD2 TYR 24 26.333 36.535 19.110 173 HE1 TYR 24 HE1 TYR 24 29.681 33.201 17.528 174 HE2 TYR 24 HE2 TYR 24 28.288 35.953 20.539 175 HH TYR 24 HH TYR 24 30.586 33.371 19.629 176 H CYS 25 H CYS 25 23.224 35.395 18.100 177 HA CYS 25 HA CYS 25 23.798 33.511 20.234 178 HB2 CYS 25 HB2 CYS 25 21.894 35.848 19.909 179 HB3 CYS 25 HB3 CYS 25 21.975 34.875 21.395 180 H VAL 26 H VAL 26 21.194 33.781 17.821 181 HA VAL 26 HA VAL 26 19.512 31.753 18.999 182 HB VAL 26 HB VAL 26 19.924 32.366 16.048 183 HG11 VAL 26 HG11 VAL 26 17.738 30.865 17.552 184 HG12 VAL 26 HG12 VAL 26 17.621 31.412 15.871 185 HG13 VAL 26 HG13 VAL 26 18.842 30.229 16.309 186 HG21 VAL 26 HG21 VAL 26 17.762 33.415 17.926 187 HG22 VAL 26 HG22 VAL 26 19.120 34.382 17.317 188 HG23 VAL 26 HG23 VAL 26 17.928 33.751 16.196 189 H ARG 27 H ARG 27 22.153 31.446 16.505 190 HA ARG 27 HA ARG 27 22.186 28.645 16.371 191 HB2 ARG 27 HB2 ARG 27 23.107 30.393 14.827 192 HB3 ARG 27 HB3 ARG 27 24.437 30.662 15.954 193 HG2 ARG 27 HG2 ARG 27 25.204 28.337 15.623 194 HG3 ARG 27 HG3 ARG 27 23.770 27.996 14.630 195 HD2 ARG 27 HD2 ARG 27 25.468 28.431 13.093 196 HD3 ARG 27 HD3 ARG 27 24.498 29.871 13.081 197 HE ARG 27 HE ARG 27 27.165 29.568 14.455 198 HH11 ARG 27 HH11 ARG 27 24.886 31.871 12.978 199 HH12 ARG 27 HH12 ARG 27 26.077 33.155 13.201 200 HH21 ARG 27 HH21 ARG 27 28.493 31.221 14.527 201 HH22 ARG 27 HH22 ARG 27 27.973 32.813 13.933 202 H GLU 28 H GLU 28 24.495 30.725 18.220 203 HA GLU 28 HA GLU 28 25.866 28.484 19.349 204 HB2 GLU 28 HB2 GLU 28 25.604 31.303 20.394 205 HB3 GLU 28 HB3 GLU 28 26.822 30.148 20.922 206 HG2 GLU 28 HG2 GLU 28 26.640 31.245 18.079 207 HG3 GLU 28 HG3 GLU 28 27.698 31.850 19.349 208 H CYS 29 H CYS 29 22.974 30.219 20.563 209 HA CYS 29 HA CYS 29 22.986 28.864 23.137 210 HB2 CYS 29 HB2 CYS 29 21.886 31.076 22.643 211 HB3 CYS 29 HB3 CYS 29 20.669 30.206 21.704 212 H ARG 30 H ARG 30 21.219 28.308 20.009 213 HA ARG 30 HA ARG 30 19.855 25.981 21.049 214 HB2 ARG 30 HB2 ARG 30 18.787 25.801 19.037 215 HB3 ARG 30 HB3 ARG 30 19.124 27.516 19.122 216 HG2 ARG 30 HG2 ARG 30 21.219 26.960 17.671 217 HG3 ARG 30 HG3 ARG 30 20.445 25.410 17.374 218 HD2 ARG 30 HD2 ARG 30 19.318 28.173 16.757 219 HD3 ARG 30 HD3 ARG 30 19.962 27.028 15.572 220 HE ARG 30 HE ARG 30 17.901 25.671 16.906 221 HH11 ARG 30 HH11 ARG 30 17.929 28.533 14.763 222 HH12 ARG 30 HH12 ARG 30 16.246 28.275 14.397 223 HH21 ARG 30 HH21 ARG 30 15.903 25.473 16.316 224 HH22 ARG 30 HH22 ARG 30 15.149 26.620 15.206 225 H LEU 31 H LEU 31 23.028 26.349 19.687 226 HA LEU 31 HA LEU 31 23.461 23.452 19.451 227 HB2 LEU 31 HB2 LEU 31 25.299 25.870 19.506 228 HB3 LEU 31 HB3 LEU 31 25.876 24.218 19.301 229 HG LEU 31 HG LEU 31 23.863 25.498 17.400 230 HD11 LEU 31 HD11 LEU 31 25.788 25.822 15.885 231 HD12 LEU 31 HD12 LEU 31 25.992 26.758 17.376 232 HD13 LEU 31 HD13 LEU 31 26.897 25.248 17.156 233 HD21 LEU 31 HD21 LEU 31 24.624 23.704 15.872 234 HD22 LEU 31 HD22 LEU 31 25.645 23.036 17.165 235 HD23 LEU 31 HD23 LEU 31 23.874 23.042 17.323 236 H ARG 32 H ARG 32 23.434 25.676 22.132 237 HA ARG 32 HA ARG 32 25.047 23.879 23.829 238 HB2 ARG 32 HB2 ARG 32 25.256 26.427 23.898 239 HB3 ARG 32 HB3 ARG 32 23.676 26.467 24.663 240 HG2 ARG 32 HG2 ARG 32 25.213 26.515 26.466 241 HG3 ARG 32 HG3 ARG 32 24.636 24.855 26.442 242 HD2 ARG 32 HD2 ARG 32 26.997 24.684 26.719 243 HD3 ARG 32 HD3 ARG 32 26.729 24.278 25.038 244 HE ARG 32 HE ARG 32 27.643 26.367 24.356 245 HH11 ARG 32 HH11 ARG 32 27.575 26.312 27.909 246 HH12 ARG 32 HH12 ARG 32 28.567 27.774 27.943 247 HH21 ARG 32 HH21 ARG 32 28.846 28.146 24.598 248 HH22 ARG 32 HH22 ARG 32 29.204 28.746 26.217 249 H TYR 33 H TYR 33 21.776 25.346 24.250 250 HA TYR 33 HA TYR 33 21.314 23.272 26.313 251 HB2 TYR 33 HB2 TYR 33 19.605 25.675 25.634 252 HB3 TYR 33 HB3 TYR 33 19.460 24.633 27.053 253 HD1 TYR 33 HD1 TYR 33 21.925 24.308 28.306 254 HD2 TYR 33 HD2 TYR 33 20.512 27.762 26.136 255 HE1 TYR 33 HE1 TYR 33 23.515 25.750 29.551 256 HE2 TYR 33 HE2 TYR 33 22.166 29.190 27.370 257 HH TYR 33 HH TYR 33 24.379 27.838 29.839 258 H TYR 34 H TYR 34 19.339 24.439 23.492 259 HA TYR 34 HA TYR 34 18.491 21.714 22.973 260 HB2 TYR 34 HB2 TYR 34 16.107 22.072 23.301 261 HB3 TYR 34 HB3 TYR 34 16.985 22.194 24.802 262 HD1 TYR 34 HD1 TYR 34 17.477 24.533 25.769 263 HD2 TYR 34 HD2 TYR 34 14.580 23.779 22.688 264 HE1 TYR 34 HE1 TYR 34 16.428 26.716 26.253 265 HE2 TYR 34 HE2 TYR 34 13.472 25.958 23.207 266 HH TYR 34 HH TYR 34 14.776 28.307 25.528 267 H GLN 35 H GLN 35 17.628 21.432 20.892 268 HA GLN 35 HA GLN 35 18.674 23.358 19.066 269 HB2 GLN 35 HB2 GLN 35 18.103 21.830 17.321 270 HB3 GLN 35 HB3 GLN 35 18.726 20.966 18.711 271 HG2 GLN 35 HG2 GLN 35 17.036 19.554 18.327 272 HG3 GLN 35 HG3 GLN 35 16.089 20.692 19.262 273 HE21 GLN 35 HE21 GLN 35 13.884 21.167 16.550 274 HE22 GLN 35 HE22 GLN 35 14.192 21.365 18.254 275 H SER 36 H SER 36 15.444 23.174 20.340 276 HA SER 36 HA SER 36 14.354 25.063 18.368 277 HB2 SER 36 HB2 SER 36 13.137 24.071 20.962 278 HB3 SER 36 HB3 SER 36 12.306 24.873 19.630 279 HG SER 36 HG SER 36 12.304 23.076 18.494 280 H ALA 37 H ALA 37 16.565 25.608 20.809 281 HA ALA 37 HA ALA 37 15.353 27.761 22.248 282 HB1 ALA 37 HB1 ALA 37 17.394 26.491 22.971 283 HB2 ALA 37 HB2 ALA 37 18.309 27.348 21.710 284 HB3 ALA 37 HB3 ALA 37 17.580 28.248 23.048 285 H HIS 38 H HIS 38 16.153 30.018 22.253 286 HA HIS 38 HA HIS 38 16.751 31.220 19.629 287 HB2 HIS 38 HB2 HIS 38 14.311 30.715 19.646 288 HB3 HIS 38 HB3 HIS 38 14.140 31.683 21.105 289 HD2 HIS 38 HD2 HIS 38 14.317 34.399 20.779 290 HE1 HIS 38 HE1 HIS 38 14.027 34.363 16.534 291 HE2 HIS 38 HE2 HIS 38 13.907 35.826 18.610 292 H GLY 39 H GLY 39 17.208 33.514 19.779 293 HA2 GLY 39 HA2 GLY 39 17.565 34.827 22.333 294 HA3 GLY 39 HA3 GLY 39 19.036 34.025 21.778 295 H TYR 40 H TYR 40 19.584 36.384 22.066 296 HA TYR 40 HA TYR 40 20.010 37.604 19.473 297 HB2 TYR 40 HB2 TYR 40 18.912 39.800 20.075 298 HB3 TYR 40 HB3 TYR 40 17.825 38.495 19.693 299 HD1 TYR 40 HD1 TYR 40 19.362 40.284 22.626 300 HD2 TYR 40 HD2 TYR 40 16.052 37.952 21.137 301 HE1 TYR 40 HE1 TYR 40 18.141 40.658 24.748 302 HE2 TYR 40 HE2 TYR 40 14.817 38.350 23.257 303 HH TYR 40 HH TYR 40 14.840 39.355 25.300 304 H CYS 41 H CYS 41 21.094 39.922 19.890 305 HA CYS 41 HA CYS 41 23.044 39.666 22.151 306 HB2 CYS 41 HB2 CYS 41 23.130 41.193 19.529 307 HB3 CYS 41 HB3 CYS 41 24.275 41.456 20.837 308 H TYR 42 H TYR 42 23.083 41.277 23.717 309 HA TYR 42 HA TYR 42 21.602 43.815 23.310 310 HB2 TYR 42 HB2 TYR 42 19.932 42.245 24.209 311 HB3 TYR 42 HB3 TYR 42 20.983 41.875 25.566 312 HD1 TYR 42 HD1 TYR 42 21.492 43.676 27.283 313 HD2 TYR 42 HD2 TYR 42 18.484 44.157 24.223 314 HE1 TYR 42 HE1 TYR 42 20.448 45.503 28.598 315 HE2 TYR 42 HE2 TYR 42 17.407 45.956 25.572 316 HH TYR 42 HH TYR 42 17.311 46.912 27.786 317 H ALA 43 H ALA 43 22.648 45.525 24.341 318 HA ALA 43 HA ALA 43 24.517 46.574 25.139 319 HB1 ALA 43 HB1 ALA 43 24.723 46.357 27.578 320 HB2 ALA 43 HB2 ALA 43 23.023 46.374 27.074 321 HB3 ALA 43 HB3 ALA 43 23.796 44.843 27.537 322 H PHE 44 H PHE 44 25.619 45.100 23.423 323 HA PHE 44 HA PHE 44 27.338 43.895 22.663 324 HB2 PHE 44 HB2 PHE 44 28.691 45.129 25.068 325 HB3 PHE 44 HB3 PHE 44 29.533 44.380 23.727 326 HD1 PHE 44 HD1 PHE 44 28.025 47.436 24.892 327 HD2 PHE 44 HD2 PHE 44 29.091 45.227 21.339 328 HE1 PHE 44 HE1 PHE 44 27.909 49.524 23.551 329 HE2 PHE 44 HE2 PHE 44 28.987 47.321 20.008 330 HZ PHE 44 HZ PHE 44 28.406 49.464 21.115 331 H ALA 45 H ALA 45 25.754 42.345 24.968 332 HA ALA 45 HA ALA 45 27.554 40.014 24.591 333 HB1 ALA 45 HB1 ALA 45 27.254 39.241 26.848 334 HB2 ALA 45 HB2 ALA 45 27.923 40.882 26.886 335 HB3 ALA 45 HB3 ALA 45 26.200 40.609 27.235 336 H CYS 46 H CYS 46 26.621 38.006 24.673 337 HA CYS 46 HA CYS 46 24.239 37.841 23.107 338 HB2 CYS 46 HB2 CYS 46 26.372 36.465 23.085 339 HB3 CYS 46 HB3 CYS 46 25.798 35.666 24.548 340 H TRP 47 H TRP 47 22.254 36.653 23.549 341 HA TRP 47 HA TRP 47 21.553 36.176 26.405 342 HB2 TRP 47 HB2 TRP 47 21.007 38.527 25.531 343 HB3 TRP 47 HB3 TRP 47 19.811 37.759 24.503 344 HD1 TRP 47 HD1 TRP 47 17.504 37.324 25.592 345 HE1 TRP 47 HE1 TRP 47 16.465 37.786 27.891 346 HE3 TRP 47 HE3 TRP 47 21.789 38.326 28.203 347 HZ2 TRP 47 HZ2 TRP 47 17.395 38.470 30.540 348 HZ3 TRP 47 HZ3 TRP 47 21.676 38.918 30.622 349 HH2 TRP 47 HH2 TRP 47 19.491 38.996 31.793 350 H CYS 48 H CYS 48 20.340 34.455 26.763 351 HA CYS 48 HA CYS 48 19.052 32.913 24.546 352 HB2 CYS 48 HB2 CYS 48 20.214 32.169 27.243 353 HB3 CYS 48 HB3 CYS 48 19.137 31.101 26.371 354 H THR 49 H THR 49 16.929 32.301 24.780 355 HA THR 49 HA THR 49 15.392 33.402 27.108 356 HB THR 49 HB THR 49 13.503 33.693 25.633 357 HG1 THR 49 HG1 THR 49 15.274 32.815 23.598 358 HG21 THR 49 HG21 THR 49 15.987 34.965 24.405 359 HG22 THR 49 HG22 THR 49 14.319 35.563 24.342 360 HG23 THR 49 HG23 THR 49 15.176 35.524 25.887 361 H HIS 50 H HIS 50 13.566 32.452 27.881 362 HA HIS 50 HA HIS 50 12.192 30.884 28.658 363 HB2 HIS 50 HB2 HIS 50 12.369 29.452 26.021 364 HB3 HIS 50 HB3 HIS 50 11.041 29.449 27.167 365 HD2 HIS 50 HD2 HIS 50 12.173 31.060 24.065 366 HE1 HIS 50 HE1 HIS 50 9.084 33.633 25.470 367 HE2 HIS 50 HE2 HIS 50 10.585 33.071 23.486 368 H LEU 51 H LEU 51 15.082 30.295 29.054 369 HA LEU 51 HA LEU 51 15.589 27.462 29.049 370 HB2 LEU 51 HB2 LEU 51 16.735 29.543 30.952 371 HB3 LEU 51 HB3 LEU 51 17.433 27.990 30.523 372 HG LEU 51 HG LEU 51 17.215 30.456 28.743 373 HD11 LEU 51 HD11 LEU 51 19.670 30.382 28.846 374 HD12 LEU 51 HD12 LEU 51 18.981 30.500 30.472 375 HD13 LEU 51 HD13 LEU 51 19.602 28.941 29.880 376 HD21 LEU 51 HD21 LEU 51 18.210 27.653 28.093 377 HD22 LEU 51 HD22 LEU 51 16.915 28.582 27.287 378 HD23 LEU 51 HD23 LEU 51 18.598 29.089 27.123 379 H TYR 52 H TYR 52 15.478 25.927 30.765 380 HA TYR 52 HA TYR 52 13.221 26.227 32.508 381 HB2 TYR 52 HB2 TYR 52 13.705 24.132 33.476 382 HB3 TYR 52 HB3 TYR 52 13.830 24.049 31.756 383 HD1 TYR 52 HD1 TYR 52 16.993 25.204 32.066 384 HD2 TYR 52 HD2 TYR 52 14.601 21.882 33.455 385 HE1 TYR 52 HE1 TYR 52 19.008 23.776 32.158 386 HE2 TYR 52 HE2 TYR 52 16.640 20.463 33.534 387 HH TYR 52 HH TYR 52 18.964 20.445 33.426 388 H GLU 53 H GLU 53 13.073 26.030 34.782 389 HA GLU 53 HA GLU 53 14.400 28.007 36.263 390 HB2 GLU 53 HB2 GLU 53 13.335 26.980 38.198 391 HB3 GLU 53 HB3 GLU 53 12.217 27.198 36.870 392 HG2 GLU 53 HG2 GLU 53 13.554 24.499 37.214 393 HG3 GLU 53 HG3 GLU 53 12.303 24.978 38.344 394 H GLN 54 H GLN 54 15.527 24.779 35.560 395 HA GLN 54 HA GLN 54 17.418 24.675 37.814 396 HB2 GLN 54 HB2 GLN 54 17.345 22.914 35.368 397 HB3 GLN 54 HB3 GLN 54 18.131 22.570 36.899 398 HG2 GLN 54 HG2 GLN 54 15.117 22.732 36.409 399 HG3 GLN 54 HG3 GLN 54 16.054 21.274 36.641 400 HE21 GLN 54 HE21 GLN 54 14.396 22.270 39.897 401 HE22 GLN 54 HE22 GLN 54 13.760 22.170 38.251 402 H ALA 55 H ALA 55 17.470 26.461 34.932 403 HA ALA 55 HA ALA 55 20.318 26.234 34.350 404 HB1 ALA 55 HB1 ALA 55 18.250 28.266 33.429 405 HB2 ALA 55 HB2 ALA 55 19.870 28.020 32.744 406 HB3 ALA 55 HB3 ALA 55 18.653 26.743 32.604 407 H VAL 56 H VAL 56 21.942 27.650 34.801 408 HA VAL 56 HA VAL 56 21.445 30.208 36.132 409 HB VAL 56 HB VAL 56 21.731 28.677 38.000 410 HG11 VAL 56 HG11 VAL 56 24.540 28.136 36.942 411 HG12 VAL 56 HG12 VAL 56 23.862 27.587 38.486 412 HG13 VAL 56 HG13 VAL 56 23.192 26.968 36.976 413 HG21 VAL 56 HG21 VAL 56 23.445 29.907 39.205 414 HG22 VAL 56 HG22 VAL 56 24.153 30.505 37.698 415 HG23 VAL 56 HG23 VAL 56 22.520 31.022 38.194 416 H VAL 57 H VAL 57 22.836 31.773 35.470 417 HA VAL 57 HA VAL 57 24.842 30.946 33.403 418 HB VAL 57 HB VAL 57 24.416 33.023 32.271 419 HG11 VAL 57 HG11 VAL 57 23.021 31.030 31.768 420 HG12 VAL 57 HG12 VAL 57 21.772 31.640 32.879 421 HG13 VAL 57 HG13 VAL 57 22.213 32.559 31.423 422 HG21 VAL 57 HG21 VAL 57 22.273 33.627 34.352 423 HG22 VAL 57 HG22 VAL 57 23.828 34.480 34.193 424 HG23 VAL 57 HG23 VAL 57 22.644 34.562 32.891 425 H TRP 58 H TRP 58 24.915 32.273 36.524 426 HA TRP 58 HA TRP 58 26.700 34.360 36.231 427 HB2 TRP 58 HB2 TRP 58 26.702 32.404 38.536 428 HB3 TRP 58 HB3 TRP 58 27.203 34.093 38.575 429 HD1 TRP 58 HD1 TRP 58 24.666 35.299 37.005 430 HE1 TRP 58 HE1 TRP 58 22.381 35.417 38.150 431 HE3 TRP 58 HE3 TRP 58 25.471 31.912 40.781 432 HZ2 TRP 58 HZ2 TRP 58 21.013 34.043 40.233 433 HZ3 TRP 58 HZ3 TRP 58 23.656 31.415 42.403 434 HH2 TRP 58 HH2 TRP 58 21.415 32.477 42.148 435 HA PRO 59 HA PRO 59 30.637 33.062 34.893 436 HB2 PRO 59 HB2 PRO 59 31.659 34.654 37.272 437 HB3 PRO 59 HB3 PRO 59 32.319 34.591 35.609 438 HG2 PRO 59 HG2 PRO 59 30.710 36.621 36.278 439 HG3 PRO 59 HG3 PRO 59 30.391 35.752 34.740 440 HD2 PRO 59 HD2 PRO 59 29.016 35.407 37.419 441 HD3 PRO 59 HD3 PRO 59 28.306 35.532 35.779 442 H LEU 60 H LEU 60 31.568 31.190 35.018 443 HA LEU 60 HA LEU 60 31.166 29.237 36.847 444 HB2 LEU 60 HB2 LEU 60 33.373 29.655 34.798 445 HB3 LEU 60 HB3 LEU 60 33.335 28.212 35.787 446 HG LEU 60 HG LEU 60 31.088 27.635 34.933 447 HD11 LEU 60 HD11 LEU 60 31.503 29.994 33.048 448 HD12 LEU 60 HD12 LEU 60 30.294 28.728 32.836 449 HD13 LEU 60 HD13 LEU 60 30.172 29.797 34.230 450 HD21 LEU 60 HD21 LEU 60 33.157 26.740 33.907 451 HD22 LEU 60 HD22 LEU 60 31.856 26.932 32.722 452 HD23 LEU 60 HD23 LEU 60 33.175 28.114 32.772 453 HA PRO 61 HA PRO 61 34.115 29.965 40.222 454 HB2 PRO 61 HB2 PRO 61 34.113 27.497 41.402 455 HB3 PRO 61 HB3 PRO 61 32.747 28.643 41.548 456 HG2 PRO 61 HG2 PRO 61 33.030 26.327 39.602 457 HG3 PRO 61 HG3 PRO 61 31.636 26.714 40.663 458 HD2 PRO 61 HD2 PRO 61 31.693 27.479 38.058 459 HD3 PRO 61 HD3 PRO 61 30.999 28.550 39.309 460 H ASN 62 H ASN 62 34.420 27.454 37.777 461 HA ASN 62 HA ASN 62 36.832 26.282 38.206 462 HB2 ASN 62 HB2 ASN 62 35.670 27.216 35.537 463 HB3 ASN 62 HB3 ASN 62 36.938 26.011 35.724 464 HD21 ASN 62 HD21 ASN 62 34.599 23.432 36.056 465 HD22 ASN 62 HD22 ASN 62 36.102 24.017 35.324 466 H LYS 63 H LYS 63 36.692 29.085 35.943 467 HA LYS 63 HA LYS 63 39.223 30.130 37.087 468 HB2 LYS 63 HB2 LYS 63 38.810 29.365 34.181 469 HB3 LYS 63 HB3 LYS 63 40.072 30.471 34.700 470 HG2 LYS 63 HG2 LYS 63 39.786 27.565 35.592 471 HG3 LYS 63 HG3 LYS 63 40.882 28.159 34.367 472 HD2 LYS 63 HD2 LYS 63 41.021 28.917 37.325 473 HD3 LYS 63 HD3 LYS 63 42.023 27.722 36.511 474 HE2 LYS 63 HE2 LYS 63 42.858 29.492 34.958 475 HE3 LYS 63 HE3 LYS 63 41.915 30.695 35.846 476 HZ1 LYS 63 HZ1 LYS 63 44.240 30.610 36.525 477 HZ2 LYS 63 HZ2 LYS 63 43.277 30.239 37.806 478 HZ3 LYS 63 HZ3 LYS 63 44.104 29.061 37.038 479 H ARG 64 H ARG 64 39.027 32.140 37.568 480 HA ARG 64 HA ARG 64 36.800 33.805 36.933 481 HB2 ARG 64 HB2 ARG 64 39.541 34.400 38.095 482 HB3 ARG 64 HB3 ARG 64 38.287 35.618 37.868 483 HG2 ARG 64 HG2 ARG 64 36.723 34.130 39.259 484 HG3 ARG 64 HG3 ARG 64 38.135 33.132 39.640 485 HD2 ARG 64 HD2 ARG 64 37.760 34.749 41.426 486 HD3 ARG 64 HD3 ARG 64 39.272 35.144 40.583 487 HE ARG 64 HE ARG 64 37.101 36.558 39.349 488 HH11 ARG 64 HH11 ARG 64 39.123 36.847 42.264 489 HH12 ARG 64 HH12 ARG 64 38.684 38.548 42.385 490 HH21 ARG 64 HH21 ARG 64 36.786 38.662 39.599 491 HH22 ARG 64 HH22 ARG 64 37.456 39.513 41.006 492 H CYS 65 H CYS 65 36.372 35.326 35.473 493 HA CYS 65 HA CYS 65 38.497 36.110 33.508 494 HB2 CYS 65 HB2 CYS 65 35.500 35.920 33.220 495 HB3 CYS 65 HB3 CYS 65 36.447 37.040 32.244 496 H LYS 66 H LYS 66 39.264 38.075 33.513 497 HA LYS 66 HA LYS 66 37.737 40.422 34.209 498 HB2 LYS 66 HB2 LYS 66 39.108 41.268 36.018 499 HB3 LYS 66 HB3 LYS 66 38.384 39.735 36.490 500 HG2 LYS 66 HG2 LYS 66 40.585 38.596 35.932 501 HG3 LYS 66 HG3 LYS 66 41.270 40.204 35.622 502 HD2 LYS 66 HD2 LYS 66 40.611 40.859 37.955 503 HD3 LYS 66 HD3 LYS 66 40.154 39.169 38.258 504 HE2 LYS 66 HE2 LYS 66 42.482 38.461 37.670 505 HE3 LYS 66 HE3 LYS 66 42.910 40.154 37.382 506 HZ1 LYS 66 HZ1 LYS 66 42.319 40.597 39.725 507 HZ2 LYS 66 HZ2 LYS 66 42.091 38.984 39.982 508 HZ3 LYS 66 HZ3 LYS 66 43.577 39.540 39.603 509 HN1 NH2 67 HN1 NH2 67 38.605 42.282 33.255 510 HN2 NH2 67 HN2 NH2 67 40.032 42.208 32.238 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 12.506 30.195 30.837 2 H2 LYS 1 H2 LYS 1 11.870 31.705 30.744 3 H3 LYS 1 H3 LYS 1 11.607 30.786 32.089 4 HA LYS 1 HA LYS 1 13.218 32.430 32.585 5 HB2 LYS 1 HB2 LYS 1 13.398 30.017 33.437 6 HB3 LYS 1 HB3 LYS 1 14.734 29.811 32.307 7 HG2 LYS 1 HG2 LYS 1 15.994 31.613 33.460 8 HG3 LYS 1 HG3 LYS 1 14.587 31.934 34.491 9 HD2 LYS 1 HD2 LYS 1 14.777 29.512 35.281 10 HD3 LYS 1 HD3 LYS 1 16.359 29.458 34.502 11 HE2 LYS 1 HE2 LYS 1 17.254 31.103 35.984 12 HE3 LYS 1 HE3 LYS 1 15.647 31.686 36.435 13 HZ1 LYS 1 HZ1 LYS 1 16.556 30.364 38.209 14 HZ2 LYS 1 HZ2 LYS 1 15.245 29.597 37.571 15 HZ3 LYS 1 HZ3 LYS 1 16.762 29.057 37.212 16 H GLU 2 H GLU 2 15.208 33.476 32.195 17 HA GLU 2 HA GLU 2 16.431 33.139 29.480 18 HB2 GLU 2 HB2 GLU 2 15.662 35.756 30.837 19 HB3 GLU 2 HB3 GLU 2 16.500 35.566 29.289 20 HG2 GLU 2 HG2 GLU 2 14.512 34.436 28.349 21 HG3 GLU 2 HG3 GLU 2 13.654 34.641 29.878 22 H GLY 3 H GLY 3 18.610 34.342 29.356 23 HA2 GLY 3 HA2 GLY 3 19.848 35.436 31.603 24 HA3 GLY 3 HA3 GLY 3 20.275 33.737 31.663 25 H TYR 4 H TYR 4 22.228 35.431 31.621 26 HA TYR 4 HA TYR 4 23.180 36.259 28.992 27 HB2 TYR 4 HB2 TYR 4 23.447 37.478 31.160 28 HB3 TYR 4 HB3 TYR 4 24.511 36.210 31.726 29 HD1 TYR 4 HD1 TYR 4 24.173 39.180 29.613 30 HD2 TYR 4 HD2 TYR 4 26.797 35.936 30.733 31 HE1 TYR 4 HE1 TYR 4 26.134 40.487 28.824 32 HE2 TYR 4 HE2 TYR 4 28.749 37.252 29.933 33 HH TYR 4 HH TYR 4 28.464 40.644 28.942 34 H LEU 5 H LEU 5 24.467 35.128 27.576 35 HA LEU 5 HA LEU 5 25.156 32.390 28.128 36 HB2 LEU 5 HB2 LEU 5 24.580 33.266 25.868 37 HB3 LEU 5 HB3 LEU 5 26.065 34.213 25.877 38 HG LEU 5 HG LEU 5 27.399 32.088 26.004 39 HD11 LEU 5 HD11 LEU 5 24.712 30.724 25.574 40 HD12 LEU 5 HD12 LEU 5 26.305 29.954 25.434 41 HD13 LEU 5 HD13 LEU 5 25.757 30.550 27.004 42 HD21 LEU 5 HD21 LEU 5 26.890 33.190 23.834 43 HD22 LEU 5 HD22 LEU 5 27.088 31.442 23.703 44 HD23 LEU 5 HD23 LEU 5 25.454 32.152 23.668 45 H VAL 6 H VAL 6 27.018 31.470 28.882 46 HA VAL 6 HA VAL 6 29.520 33.067 28.972 47 HB VAL 6 HB VAL 6 28.427 33.459 31.110 48 HG11 VAL 6 HG11 VAL 6 28.621 30.456 31.607 49 HG12 VAL 6 HG12 VAL 6 28.140 31.695 32.778 50 HG13 VAL 6 HG13 VAL 6 27.117 31.379 31.375 51 HG21 VAL 6 HG21 VAL 6 30.258 32.842 32.578 52 HG22 VAL 6 HG22 VAL 6 30.854 31.642 31.419 53 HG23 VAL 6 HG23 VAL 6 30.882 33.378 31.017 54 H ASP 7 H ASP 7 31.376 31.951 28.730 55 HA ASP 7 HA ASP 7 31.196 29.337 27.524 56 HB2 ASP 7 HB2 ASP 7 32.828 30.949 26.734 57 HB3 ASP 7 HB3 ASP 7 33.542 31.085 28.348 58 H TYR 8 H TYR 8 31.275 27.399 28.425 59 HA TYR 8 HA TYR 8 31.534 26.984 31.248 60 HB2 TYR 8 HB2 TYR 8 31.059 24.760 30.779 61 HB3 TYR 8 HB3 TYR 8 30.256 25.593 29.456 62 HD1 TYR 8 HD1 TYR 8 31.592 25.777 27.193 63 HD2 TYR 8 HD2 TYR 8 32.676 23.099 30.390 64 HE1 TYR 8 HE1 TYR 8 33.218 24.646 25.699 65 HE2 TYR 8 HE2 TYR 8 34.297 21.957 28.885 66 HH TYR 8 HH TYR 8 34.984 21.740 26.632 67 H HIS 9 H HIS 9 33.967 27.031 28.688 68 HA HIS 9 HA HIS 9 35.909 25.417 30.179 69 HB2 HIS 9 HB2 HIS 9 35.651 25.425 27.688 70 HB3 HIS 9 HB3 HIS 9 36.294 27.054 27.645 71 HD2 HIS 9 HD2 HIS 9 37.327 23.527 27.426 72 HE1 HIS 9 HE1 HIS 9 40.959 25.626 28.149 73 HE2 HIS 9 HE2 HIS 9 39.949 23.427 27.356 74 H THR 10 H THR 10 35.965 28.819 29.037 75 HA THR 10 HA THR 10 38.123 29.472 30.948 76 HB THR 10 HB THR 10 38.227 31.609 29.806 77 HG1 THR 10 HG1 THR 10 36.115 30.593 28.180 78 HG21 THR 10 HG21 THR 10 38.028 29.375 27.750 79 HG22 THR 10 HG22 THR 10 39.004 30.862 27.660 80 HG23 THR 10 HG23 THR 10 39.401 29.617 28.848 81 H GLY 11 H GLY 11 34.648 29.876 30.916 82 HA2 GLY 11 HA2 GLY 11 33.280 30.834 32.522 83 HA3 GLY 11 HA3 GLY 11 34.683 31.511 33.356 84 H CYS 12 H CYS 12 34.883 32.307 30.062 85 HA CYS 12 HA CYS 12 34.340 35.101 30.660 86 HB2 CYS 12 HB2 CYS 12 35.338 33.712 28.152 87 HB3 CYS 12 HB3 CYS 12 35.301 35.454 28.403 88 H LYS 13 H LYS 13 33.176 36.550 29.382 89 HA LYS 13 HA LYS 13 30.565 35.814 28.378 90 HB2 LYS 13 HB2 LYS 13 30.422 38.179 27.757 91 HB3 LYS 13 HB3 LYS 13 31.049 37.977 29.393 92 HG2 LYS 13 HG2 LYS 13 33.413 38.221 28.284 93 HG3 LYS 13 HG3 LYS 13 32.539 38.830 26.884 94 HD2 LYS 13 HD2 LYS 13 32.233 39.990 29.687 95 HD3 LYS 13 HD3 LYS 13 33.478 40.531 28.564 96 HE2 LYS 13 HE2 LYS 13 31.864 41.326 26.972 97 HE3 LYS 13 HE3 LYS 13 30.523 40.584 27.854 98 HZ1 LYS 13 HZ1 LYS 13 30.804 43.010 28.259 99 HZ2 LYS 13 HZ2 LYS 13 30.822 42.106 29.636 100 HZ3 LYS 13 HZ3 LYS 13 32.222 42.710 29.043 101 H TYR 14 H TYR 14 29.723 36.151 26.231 102 HA TYR 14 HA TYR 14 31.599 35.424 24.017 103 HB2 TYR 14 HB2 TYR 14 28.644 35.089 24.485 104 HB3 TYR 14 HB3 TYR 14 29.223 35.295 22.846 105 HD1 TYR 14 HD1 TYR 14 30.211 33.554 21.628 106 HD2 TYR 14 HD2 TYR 14 29.709 33.151 25.897 107 HE1 TYR 14 HE1 TYR 14 30.902 31.175 21.487 108 HE2 TYR 14 HE2 TYR 14 30.393 30.756 25.745 109 HH TYR 14 HH TYR 14 31.095 29.046 24.352 110 H THR 15 H THR 15 31.773 36.703 22.182 111 HA THR 15 HA THR 15 31.018 39.532 22.356 112 HB THR 15 HB THR 15 33.128 38.791 21.314 113 HG1 THR 15 HG1 THR 15 32.488 40.773 20.934 114 HG21 THR 15 HG21 THR 15 32.258 36.887 19.919 115 HG22 THR 15 HG22 THR 15 31.393 38.058 18.913 116 HG23 THR 15 HG23 THR 15 33.165 38.079 18.976 117 H CYS 16 H CYS 16 30.068 40.554 20.430 118 HA CYS 16 HA CYS 16 27.940 39.203 18.979 119 HB2 CYS 16 HB2 CYS 16 27.377 40.159 21.621 120 HB3 CYS 16 HB3 CYS 16 26.495 41.178 20.503 121 H ALA 17 H ALA 17 26.669 40.600 17.641 122 HA ALA 17 HA ALA 17 27.972 42.971 16.561 123 HB1 ALA 17 HB1 ALA 17 26.750 41.380 15.151 124 HB2 ALA 17 HB2 ALA 17 25.260 41.647 16.090 125 HB3 ALA 17 HB3 ALA 17 25.938 42.946 15.096 126 H LYS 18 H LYS 18 26.420 44.916 16.150 127 HA LYS 18 HA LYS 18 25.649 46.266 18.543 128 HB2 LYS 18 HB2 LYS 18 26.152 47.241 16.247 129 HB3 LYS 18 HB3 LYS 18 24.518 46.752 15.763 130 HG2 LYS 18 HG2 LYS 18 23.552 48.188 17.497 131 HG3 LYS 18 HG3 LYS 18 25.172 48.585 18.108 132 HD2 LYS 18 HD2 LYS 18 25.702 49.700 15.949 133 HD3 LYS 18 HD3 LYS 18 24.082 49.274 15.351 134 HE2 LYS 18 HE2 LYS 18 23.087 50.534 17.276 135 HE3 LYS 18 HE3 LYS 18 24.710 51.039 17.768 136 HZ1 LYS 18 HZ1 LYS 18 23.469 52.663 16.378 137 HZ2 LYS 18 HZ2 LYS 18 24.933 52.248 15.730 138 HZ3 LYS 18 HZ3 LYS 18 23.552 51.622 15.099 139 H LEU 19 H LEU 19 23.684 46.669 19.488 140 HA LEU 19 HA LEU 19 22.331 44.444 20.127 141 HB2 LEU 19 HB2 LEU 19 20.808 45.712 21.406 142 HB3 LEU 19 HB3 LEU 19 22.406 46.407 21.550 143 HG LEU 19 HG LEU 19 20.419 47.598 19.567 144 HD11 LEU 19 HD11 LEU 19 19.205 47.395 21.699 145 HD12 LEU 19 HD12 LEU 19 20.551 48.216 22.534 146 HD13 LEU 19 HD13 LEU 19 19.584 49.080 21.318 147 HD21 LEU 19 HD21 LEU 19 22.731 48.506 19.568 148 HD22 LEU 19 HD22 LEU 19 21.569 49.688 20.170 149 HD23 LEU 19 HD23 LEU 19 22.607 48.820 21.312 150 H GLY 20 H GLY 20 20.459 43.467 19.980 151 HA2 GLY 20 HA2 GLY 20 18.303 42.962 19.247 152 HA3 GLY 20 HA3 GLY 20 18.399 44.210 18.014 153 H ASP 21 H ASP 21 21.210 42.628 17.447 154 HA ASP 21 HA ASP 21 20.276 41.086 15.227 155 HB2 ASP 21 HB2 ASP 21 22.569 42.037 15.451 156 HB3 ASP 21 HB3 ASP 21 22.918 40.866 16.723 157 H ASN 22 H ASN 22 19.717 38.972 14.994 158 HA ASN 22 HA ASN 22 19.858 37.077 17.256 159 HB2 ASN 22 HB2 ASN 22 17.416 36.693 17.132 160 HB3 ASN 22 HB3 ASN 22 17.826 38.306 17.686 161 HD21 ASN 22 HD21 ASN 22 16.499 39.879 14.680 162 HD22 ASN 22 HD22 ASN 22 17.655 40.133 15.983 163 H ASP 23 H ASP 23 21.493 36.478 15.622 164 HA ASP 23 HA ASP 23 20.431 34.502 13.627 165 HB2 ASP 23 HB2 ASP 23 21.062 36.494 12.433 166 HB3 ASP 23 HB3 ASP 23 22.563 36.652 13.343 167 H TYR 24 H TYR 24 23.564 35.512 15.124 168 HA TYR 24 HA TYR 24 24.446 32.673 15.012 169 HB2 TYR 24 HB2 TYR 24 25.869 34.455 14.024 170 HB3 TYR 24 HB3 TYR 24 26.106 35.127 15.633 171 HD1 TYR 24 HD1 TYR 24 27.643 34.074 17.208 172 HD2 TYR 24 HD2 TYR 24 26.673 32.152 13.468 173 HE1 TYR 24 HE1 TYR 24 29.358 32.329 17.655 174 HE2 TYR 24 HE2 TYR 24 28.376 30.386 13.941 175 HH TYR 24 HH TYR 24 29.804 30.052 17.094 176 H CYS 25 H CYS 25 24.173 35.296 17.471 177 HA CYS 25 HA CYS 25 24.692 33.780 19.773 178 HB2 CYS 25 HB2 CYS 25 24.441 36.146 19.868 179 HB3 CYS 25 HB3 CYS 25 22.822 36.089 19.186 180 H VAL 26 H VAL 26 21.680 33.843 17.837 181 HA VAL 26 HA VAL 26 20.047 32.179 19.477 182 HB VAL 26 HB VAL 26 20.196 32.476 16.454 183 HG11 VAL 26 HG11 VAL 26 18.074 31.066 18.121 184 HG12 VAL 26 HG12 VAL 26 17.875 31.547 16.422 185 HG13 VAL 26 HG13 VAL 26 19.091 30.350 16.848 186 HG21 VAL 26 HG21 VAL 26 18.230 33.607 18.482 187 HG22 VAL 26 HG22 VAL 26 19.544 34.525 17.725 188 HG23 VAL 26 HG23 VAL 26 18.224 33.894 16.733 189 H ARG 27 H ARG 27 22.527 31.250 17.030 190 HA ARG 27 HA ARG 27 22.138 28.393 17.338 191 HB2 ARG 27 HB2 ARG 27 24.466 30.011 16.216 192 HB3 ARG 27 HB3 ARG 27 24.343 28.259 16.208 193 HG2 ARG 27 HG2 ARG 27 22.273 28.373 14.854 194 HG3 ARG 27 HG3 ARG 27 22.386 30.144 14.839 195 HD2 ARG 27 HD2 ARG 27 24.637 29.966 13.742 196 HD3 ARG 27 HD3 ARG 27 24.470 28.208 13.739 197 HE ARG 27 HE ARG 27 23.106 28.318 11.903 198 HH11 ARG 27 HH11 ARG 27 23.167 31.586 13.233 199 HH12 ARG 27 HH12 ARG 27 22.583 32.292 11.768 200 HH21 ARG 27 HH21 ARG 27 21.914 29.243 10.309 201 HH22 ARG 27 HH22 ARG 27 21.808 30.995 10.179 202 H GLU 28 H GLU 28 24.657 30.648 18.632 203 HA GLU 28 HA GLU 28 25.986 28.637 20.159 204 HB2 GLU 28 HB2 GLU 28 25.741 31.623 20.562 205 HB3 GLU 28 HB3 GLU 28 26.791 30.621 21.557 206 HG2 GLU 28 HG2 GLU 28 27.022 30.804 18.530 207 HG3 GLU 28 HG3 GLU 28 27.941 31.799 19.661 208 H CYS 29 H CYS 29 23.178 30.672 21.138 209 HA CYS 29 HA CYS 29 22.973 29.612 23.800 210 HB2 CYS 29 HB2 CYS 29 20.944 30.790 21.873 211 HB3 CYS 29 HB3 CYS 29 20.518 30.275 23.503 212 H ARG 30 H ARG 30 21.256 28.588 20.750 213 HA ARG 30 HA ARG 30 20.088 26.314 22.125 214 HB2 ARG 30 HB2 ARG 30 18.771 26.081 20.317 215 HB3 ARG 30 HB3 ARG 30 19.241 27.755 20.105 216 HG2 ARG 30 HG2 ARG 30 21.141 26.816 18.576 217 HG3 ARG 30 HG3 ARG 30 20.203 25.321 18.573 218 HD2 ARG 30 HD2 ARG 30 19.295 28.073 17.639 219 HD3 ARG 30 HD3 ARG 30 19.626 26.653 16.634 220 HE ARG 30 HE ARG 30 17.592 25.911 18.478 221 HH11 ARG 30 HH11 ARG 30 17.785 28.082 15.705 222 HH12 ARG 30 HH12 ARG 30 16.037 28.187 15.638 223 HH21 ARG 30 HH21 ARG 30 15.438 25.925 18.100 224 HH22 ARG 30 HH22 ARG 30 14.802 26.948 16.831 225 H LEU 31 H LEU 31 23.188 26.657 20.879 226 HA LEU 31 HA LEU 31 23.655 23.720 20.815 227 HB2 LEU 31 HB2 LEU 31 25.436 26.138 20.361 228 HB3 LEU 31 HB3 LEU 31 26.023 24.481 20.302 229 HG LEU 31 HG LEU 31 23.797 25.504 18.474 230 HD11 LEU 31 HD11 LEU 31 25.887 26.784 18.093 231 HD12 LEU 31 HD12 LEU 31 26.791 25.265 17.926 232 HD13 LEU 31 HD13 LEU 31 25.535 25.698 16.739 233 HD21 LEU 31 HD21 LEU 31 25.609 23.062 18.309 234 HD22 LEU 31 HD22 LEU 31 23.870 23.069 18.687 235 HD23 LEU 31 HD23 LEU 31 24.417 23.576 17.089 236 H ARG 32 H ARG 32 24.104 26.426 23.075 237 HA ARG 32 HA ARG 32 25.703 24.811 24.954 238 HB2 ARG 32 HB2 ARG 32 25.748 27.395 24.661 239 HB3 ARG 32 HB3 ARG 32 24.228 27.426 25.518 240 HG2 ARG 32 HG2 ARG 32 26.109 27.917 27.007 241 HG3 ARG 32 HG3 ARG 32 25.286 26.446 27.520 242 HD2 ARG 32 HD2 ARG 32 27.819 26.365 27.605 243 HD3 ARG 32 HD3 ARG 32 27.047 25.054 26.706 244 HE ARG 32 HE ARG 32 27.800 27.327 25.013 245 HH11 ARG 32 HH11 ARG 32 29.189 24.325 26.333 246 HH12 ARG 32 HH12 ARG 32 30.078 24.102 24.827 247 HH21 ARG 32 HH21 ARG 32 28.994 26.944 23.326 248 HH22 ARG 32 HH22 ARG 32 30.276 25.738 23.410 249 H TYR 33 H TYR 33 22.385 25.885 24.638 250 HA TYR 33 HA TYR 33 21.416 24.102 26.820 251 HB2 TYR 33 HB2 TYR 33 20.064 26.340 25.238 252 HB3 TYR 33 HB3 TYR 33 19.306 25.392 26.515 253 HD1 TYR 33 HD1 TYR 33 21.779 28.059 25.841 254 HD2 TYR 33 HD2 TYR 33 19.755 25.714 28.821 255 HE1 TYR 33 HE1 TYR 33 22.854 29.430 27.616 256 HE2 TYR 33 HE2 TYR 33 20.899 27.046 30.626 257 HH TYR 33 HH TYR 33 22.693 28.471 31.020 258 H TYR 34 H TYR 34 18.984 23.407 25.979 259 HA TYR 34 HA TYR 34 19.212 21.508 23.851 260 HB2 TYR 34 HB2 TYR 34 16.772 21.364 24.018 261 HB3 TYR 34 HB3 TYR 34 17.579 21.214 25.557 262 HD1 TYR 34 HD1 TYR 34 14.859 21.421 25.726 263 HD2 TYR 34 HD2 TYR 34 17.593 24.728 25.217 264 HE1 TYR 34 HE1 TYR 34 13.260 22.956 26.830 265 HE2 TYR 34 HE2 TYR 34 16.111 26.184 26.472 266 HH TYR 34 HH TYR 34 13.692 26.408 26.942 267 H GLN 35 H GLN 35 18.178 21.507 21.789 268 HA GLN 35 HA GLN 35 18.723 23.839 20.256 269 HB2 GLN 35 HB2 GLN 35 17.983 22.596 18.380 270 HB3 GLN 35 HB3 GLN 35 18.978 21.590 19.413 271 HG2 GLN 35 HG2 GLN 35 15.941 21.421 19.552 272 HG3 GLN 35 HG3 GLN 35 16.828 20.645 18.254 273 HE21 GLN 35 HE21 GLN 35 17.249 17.776 20.231 274 HE22 GLN 35 HE22 GLN 35 16.856 18.435 18.647 275 H SER 36 H SER 36 15.851 22.994 21.977 276 HA SER 36 HA SER 36 13.874 24.501 20.612 277 HB2 SER 36 HB2 SER 36 14.209 23.942 23.587 278 HB3 SER 36 HB3 SER 36 12.708 24.432 22.784 279 HG SER 36 HG SER 36 12.397 22.417 22.470 280 H ALA 37 H ALA 37 16.597 25.686 22.401 281 HA ALA 37 HA ALA 37 15.393 28.038 23.556 282 HB1 ALA 37 HB1 ALA 37 17.707 28.648 24.081 283 HB2 ALA 37 HB2 ALA 37 17.441 26.932 24.406 284 HB3 ALA 37 HB3 ALA 37 18.311 27.428 22.939 285 H HIS 38 H HIS 38 16.464 30.265 23.123 286 HA HIS 38 HA HIS 38 17.167 30.875 20.347 287 HB2 HIS 38 HB2 HIS 38 14.575 30.871 20.619 288 HB3 HIS 38 HB3 HIS 38 14.812 32.350 21.534 289 HD2 HIS 38 HD2 HIS 38 15.291 30.904 17.963 290 HE1 HIS 38 HE1 HIS 38 15.350 35.158 17.646 291 HE2 HIS 38 HE2 HIS 38 15.390 33.003 16.330 292 H GLY 39 H GLY 39 17.096 33.725 20.511 293 HA2 GLY 39 HA2 GLY 39 18.001 34.890 22.857 294 HA3 GLY 39 HA3 GLY 39 19.452 34.162 22.178 295 H TYR 40 H TYR 40 19.770 36.680 22.514 296 HA TYR 40 HA TYR 40 20.020 37.786 19.841 297 HB2 TYR 40 HB2 TYR 40 18.860 39.884 20.226 298 HB3 TYR 40 HB3 TYR 40 17.760 38.545 20.311 299 HD1 TYR 40 HD1 TYR 40 19.345 41.282 22.162 300 HD2 TYR 40 HD2 TYR 40 16.746 37.861 22.506 301 HE1 TYR 40 HE1 TYR 40 18.605 42.075 24.393 302 HE2 TYR 40 HE2 TYR 40 15.972 38.679 24.735 303 HH TYR 40 HH TYR 40 16.135 40.326 26.318 304 H CYS 41 H CYS 41 21.179 39.823 19.782 305 HA CYS 41 HA CYS 41 23.367 39.939 21.765 306 HB2 CYS 41 HB2 CYS 41 22.866 41.357 19.127 307 HB3 CYS 41 HB3 CYS 41 24.261 41.673 20.147 308 H TYR 42 H TYR 42 23.695 41.467 23.284 309 HA TYR 42 HA TYR 42 22.726 44.198 22.903 310 HB2 TYR 42 HB2 TYR 42 20.857 42.876 24.099 311 HB3 TYR 42 HB3 TYR 42 21.935 42.775 25.474 312 HD1 TYR 42 HD1 TYR 42 22.571 44.894 26.717 313 HD2 TYR 42 HD2 TYR 42 19.697 44.878 23.495 314 HE1 TYR 42 HE1 TYR 42 21.791 47.163 27.386 315 HE2 TYR 42 HE2 TYR 42 18.906 47.127 24.193 316 HH TYR 42 HH TYR 42 19.365 48.949 25.457 317 H ALA 43 H ALA 43 24.084 45.711 23.979 318 HA ALA 43 HA ALA 43 26.058 46.459 24.771 319 HB1 ALA 43 HB1 ALA 43 26.628 45.856 27.060 320 HB2 ALA 43 HB2 ALA 43 24.871 46.064 26.880 321 HB3 ALA 43 HB3 ALA 43 25.578 44.425 26.980 322 H PHE 44 H PHE 44 26.336 44.533 22.735 323 HA PHE 44 HA PHE 44 27.765 43.242 21.635 324 HB2 PHE 44 HB2 PHE 44 29.984 44.365 23.341 325 HB3 PHE 44 HB3 PHE 44 30.109 43.695 21.720 326 HD1 PHE 44 HD1 PHE 44 28.292 44.874 19.990 327 HD2 PHE 44 HD2 PHE 44 30.091 46.704 23.458 328 HE1 PHE 44 HE1 PHE 44 27.773 47.125 19.077 329 HE2 PHE 44 HE2 PHE 44 29.593 48.956 22.523 330 HZ PHE 44 HZ PHE 44 28.420 49.163 20.346 331 H ALA 45 H ALA 45 26.513 42.058 24.042 332 HA ALA 45 HA ALA 45 28.037 39.556 23.789 333 HB1 ALA 45 HB1 ALA 45 28.791 40.616 25.895 334 HB2 ALA 45 HB2 ALA 45 27.110 40.626 26.479 335 HB3 ALA 45 HB3 ALA 45 27.961 39.088 26.158 336 H CYS 46 H CYS 46 26.800 37.639 24.563 337 HA CYS 46 HA CYS 46 24.203 37.809 23.165 338 HB2 CYS 46 HB2 CYS 46 25.865 36.338 22.283 339 HB3 CYS 46 HB3 CYS 46 26.093 35.561 23.845 340 H TRP 47 H TRP 47 22.262 37.450 23.989 341 HA TRP 47 HA TRP 47 21.941 36.475 26.805 342 HB2 TRP 47 HB2 TRP 47 21.422 38.867 26.498 343 HB3 TRP 47 HB3 TRP 47 20.304 38.473 25.200 344 HD1 TRP 47 HD1 TRP 47 17.956 37.499 25.843 345 HE1 TRP 47 HE1 TRP 47 16.574 37.447 28.023 346 HE3 TRP 47 HE3 TRP 47 21.690 38.570 29.169 347 HZ2 TRP 47 HZ2 TRP 47 17.043 37.871 30.827 348 HZ3 TRP 47 HZ3 TRP 47 21.198 38.719 31.604 349 HH2 TRP 47 HH2 TRP 47 18.886 38.374 32.439 350 H CYS 48 H CYS 48 20.809 34.633 27.029 351 HA CYS 48 HA CYS 48 19.517 33.456 24.633 352 HB2 CYS 48 HB2 CYS 48 20.328 32.160 27.245 353 HB3 CYS 48 HB3 CYS 48 19.706 31.343 25.806 354 H THR 49 H THR 49 17.469 32.724 24.581 355 HA THR 49 HA THR 49 15.662 33.319 26.874 356 HB THR 49 HB THR 49 13.982 34.199 25.396 357 HG1 THR 49 HG1 THR 49 14.355 33.170 23.510 358 HG21 THR 49 HG21 THR 49 14.921 36.310 24.843 359 HG22 THR 49 HG22 THR 49 15.773 35.745 26.288 360 HG23 THR 49 HG23 THR 49 16.562 35.640 24.699 361 H HIS 50 H HIS 50 13.486 32.339 26.576 362 HA HIS 50 HA HIS 50 12.249 30.509 26.708 363 HB2 HIS 50 HB2 HIS 50 13.487 29.584 24.127 364 HB3 HIS 50 HB3 HIS 50 11.898 29.188 24.784 365 HD2 HIS 50 HD2 HIS 50 10.015 31.199 24.746 366 HE1 HIS 50 HE1 HIS 50 12.165 33.811 22.169 367 HE2 HIS 50 HE2 HIS 50 9.908 33.361 23.214 368 H LEU 51 H LEU 51 14.464 30.312 28.356 369 HA LEU 51 HA LEU 51 15.434 27.517 28.242 370 HB2 LEU 51 HB2 LEU 51 16.042 29.602 30.349 371 HB3 LEU 51 HB3 LEU 51 16.920 28.122 30.002 372 HG LEU 51 HG LEU 51 16.821 30.635 28.263 373 HD11 LEU 51 HD11 LEU 51 18.186 30.817 30.307 374 HD12 LEU 51 HD12 LEU 51 19.075 29.346 29.850 375 HD13 LEU 51 HD13 LEU 51 19.193 30.809 28.852 376 HD21 LEU 51 HD21 LEU 51 17.003 28.724 26.768 377 HD22 LEU 51 HD22 LEU 51 18.592 29.482 26.913 378 HD23 LEU 51 HD23 LEU 51 18.249 27.984 27.805 379 H TYR 52 H TYR 52 14.981 25.984 29.900 380 HA TYR 52 HA TYR 52 12.389 26.099 31.099 381 HB2 TYR 52 HB2 TYR 52 13.319 24.101 32.469 382 HB3 TYR 52 HB3 TYR 52 13.030 23.950 30.769 383 HD1 TYR 52 HD1 TYR 52 15.617 23.897 33.355 384 HD2 TYR 52 HD2 TYR 52 14.821 23.689 29.141 385 HE1 TYR 52 HE1 TYR 52 17.882 22.917 32.983 386 HE2 TYR 52 HE2 TYR 52 17.082 22.725 28.754 387 HH TYR 52 HH TYR 52 19.065 21.570 31.369 388 H GLU 53 H GLU 53 11.680 26.437 33.192 389 HA GLU 53 HA GLU 53 13.009 28.365 34.806 390 HB2 GLU 53 HB2 GLU 53 10.876 26.364 35.613 391 HB3 GLU 53 HB3 GLU 53 11.325 27.815 36.499 392 HG2 GLU 53 HG2 GLU 53 10.018 27.669 33.770 393 HG3 GLU 53 HG3 GLU 53 9.271 28.212 35.265 394 H GLN 54 H GLN 54 13.374 24.883 34.781 395 HA GLN 54 HA GLN 54 14.729 24.735 37.365 396 HB2 GLN 54 HB2 GLN 54 14.607 22.698 35.110 397 HB3 GLN 54 HB3 GLN 54 15.097 22.390 36.774 398 HG2 GLN 54 HG2 GLN 54 12.309 23.234 35.862 399 HG3 GLN 54 HG3 GLN 54 12.807 21.617 36.308 400 HE21 GLN 54 HE21 GLN 54 11.206 23.624 39.208 401 HE22 GLN 54 HE22 GLN 54 10.707 23.409 37.526 402 H ALA 55 H ALA 55 15.831 26.202 34.619 403 HA ALA 55 HA ALA 55 18.600 25.221 34.654 404 HB1 ALA 55 HB1 ALA 55 18.941 26.915 32.919 405 HB2 ALA 55 HB2 ALA 55 17.494 25.971 32.539 406 HB3 ALA 55 HB3 ALA 55 17.333 27.601 33.215 407 H VAL 56 H VAL 56 20.406 26.620 35.106 408 HA VAL 56 HA VAL 56 19.884 29.150 36.547 409 HB VAL 56 HB VAL 56 20.120 27.491 38.322 410 HG11 VAL 56 HG11 VAL 56 22.229 26.382 38.807 411 HG12 VAL 56 HG12 VAL 56 21.659 25.889 37.201 412 HG13 VAL 56 HG13 VAL 56 22.973 27.070 37.356 413 HG21 VAL 56 HG21 VAL 56 20.843 29.829 38.658 414 HG22 VAL 56 HG22 VAL 56 21.780 28.691 39.639 415 HG23 VAL 56 HG23 VAL 56 22.502 29.388 38.176 416 H VAL 57 H VAL 57 21.154 30.741 35.834 417 HA VAL 57 HA VAL 57 23.258 30.015 33.832 418 HB VAL 57 HB VAL 57 21.460 32.456 33.840 419 HG11 VAL 57 HG11 VAL 57 23.349 31.221 31.803 420 HG12 VAL 57 HG12 VAL 57 22.083 32.366 31.340 421 HG13 VAL 57 HG13 VAL 57 23.346 32.882 32.449 422 HG21 VAL 57 HG21 VAL 57 20.191 31.293 32.029 423 HG22 VAL 57 HG22 VAL 57 21.101 29.807 32.372 424 HG23 VAL 57 HG23 VAL 57 20.006 30.508 33.588 425 H TRP 58 H TRP 58 22.950 31.658 36.820 426 HA TRP 58 HA TRP 58 24.652 33.773 36.595 427 HB2 TRP 58 HB2 TRP 58 24.489 31.956 39.006 428 HB3 TRP 58 HB3 TRP 58 24.883 33.672 39.011 429 HD1 TRP 58 HD1 TRP 58 22.178 31.580 39.869 430 HE1 TRP 58 HE1 TRP 58 19.881 32.729 39.730 431 HE3 TRP 58 HE3 TRP 58 23.494 35.717 37.133 432 HZ2 TRP 58 HZ2 TRP 58 18.733 34.977 38.368 433 HZ3 TRP 58 HZ3 TRP 58 21.768 37.360 36.445 434 HH2 TRP 58 HH2 TRP 58 19.377 37.000 37.045 435 HA PRO 59 HA PRO 59 28.786 32.973 35.765 436 HB2 PRO 59 HB2 PRO 59 29.480 34.288 38.410 437 HB3 PRO 59 HB3 PRO 59 30.259 34.515 36.820 438 HG2 PRO 59 HG2 PRO 59 28.409 36.280 37.689 439 HG3 PRO 59 HG3 PRO 59 28.347 35.713 35.995 440 HD2 PRO 59 HD2 PRO 59 26.667 34.854 38.333 441 HD3 PRO 59 HD3 PRO 59 26.205 35.123 36.629 442 H LEU 60 H LEU 60 30.438 31.542 35.964 443 HA LEU 60 HA LEU 60 30.047 29.255 37.663 444 HB2 LEU 60 HB2 LEU 60 32.267 30.082 35.747 445 HB3 LEU 60 HB3 LEU 60 32.333 28.607 36.707 446 HG LEU 60 HG LEU 60 30.204 27.835 35.674 447 HD11 LEU 60 HD11 LEU 60 30.603 30.262 33.882 448 HD12 LEU 60 HD12 LEU 60 29.571 28.874 33.467 449 HD13 LEU 60 HD13 LEU 60 29.168 29.858 34.865 450 HD21 LEU 60 HD21 LEU 60 32.408 28.447 33.674 451 HD22 LEU 60 HD22 LEU 60 32.412 27.093 34.843 452 HD23 LEU 60 HD23 LEU 60 31.198 27.153 33.570 453 HA PRO 61 HA PRO 61 32.174 31.302 41.076 454 HB2 PRO 61 HB2 PRO 61 32.066 29.331 42.987 455 HB3 PRO 61 HB3 PRO 61 30.650 30.307 42.495 456 HG2 PRO 61 HG2 PRO 61 31.434 27.543 41.515 457 HG3 PRO 61 HG3 PRO 61 29.835 28.102 42.105 458 HD2 PRO 61 HD2 PRO 61 30.406 27.991 39.451 459 HD3 PRO 61 HD3 PRO 61 29.424 29.328 40.127 460 H ASN 62 H ASN 62 33.208 28.292 39.619 461 HA ASN 62 HA ASN 62 35.769 28.184 41.037 462 HB2 ASN 62 HB2 ASN 62 36.104 26.150 39.693 463 HB3 ASN 62 HB3 ASN 62 34.593 26.165 40.577 464 HD21 ASN 62 HD21 ASN 62 34.292 25.108 36.863 465 HD22 ASN 62 HD22 ASN 62 35.814 25.150 37.741 466 H LYS 63 H LYS 63 34.819 28.579 37.660 467 HA LYS 63 HA LYS 63 37.412 29.111 36.569 468 HB2 LYS 63 HB2 LYS 63 34.726 30.100 35.518 469 HB3 LYS 63 HB3 LYS 63 36.216 29.974 34.595 470 HG2 LYS 63 HG2 LYS 63 34.593 27.657 35.712 471 HG3 LYS 63 HG3 LYS 63 34.711 28.189 34.032 472 HD2 LYS 63 HD2 LYS 63 37.166 27.666 34.087 473 HD3 LYS 63 HD3 LYS 63 36.933 26.917 35.686 474 HE2 LYS 63 HE2 LYS 63 35.295 25.350 34.758 475 HE3 LYS 63 HE3 LYS 63 35.326 26.185 33.206 476 HZ1 LYS 63 HZ1 LYS 63 36.608 24.203 33.118 477 HZ2 LYS 63 HZ2 LYS 63 37.607 25.458 32.886 478 HZ3 LYS 63 HZ3 LYS 63 37.602 24.674 34.350 479 H ARG 64 H ARG 64 38.335 31.053 35.651 480 HA ARG 64 HA ARG 64 37.396 33.659 36.661 481 HB2 ARG 64 HB2 ARG 64 38.984 32.388 38.360 482 HB3 ARG 64 HB3 ARG 64 40.261 32.889 37.281 483 HG2 ARG 64 HG2 ARG 64 39.938 34.386 39.204 484 HG3 ARG 64 HG3 ARG 64 39.734 35.241 37.679 485 HD2 ARG 64 HD2 ARG 64 38.121 35.784 39.614 486 HD3 ARG 64 HD3 ARG 64 37.445 35.566 38.008 487 HE ARG 64 HE ARG 64 36.807 33.238 38.673 488 HH11 ARG 64 HH11 ARG 64 37.281 35.375 41.442 489 HH12 ARG 64 HH12 ARG 64 35.877 34.683 42.230 490 HH21 ARG 64 HH21 ARG 64 35.157 32.429 39.825 491 HH22 ARG 64 HH22 ARG 64 34.786 33.118 41.395 492 H CYS 65 H CYS 65 37.028 34.429 34.730 493 HA CYS 65 HA CYS 65 38.607 34.097 32.402 494 HB2 CYS 65 HB2 CYS 65 36.197 34.628 32.453 495 HB3 CYS 65 HB3 CYS 65 36.559 36.222 33.121 496 H LYS 66 H LYS 66 39.981 35.466 31.254 497 HA LYS 66 HA LYS 66 41.969 36.752 32.660 498 HB2 LYS 66 HB2 LYS 66 42.952 37.349 30.592 499 HB3 LYS 66 HB3 LYS 66 42.148 35.801 30.376 500 HG2 LYS 66 HG2 LYS 66 40.248 36.985 29.219 501 HG3 LYS 66 HG3 LYS 66 41.130 38.512 29.415 502 HD2 LYS 66 HD2 LYS 66 43.065 37.447 28.150 503 HD3 LYS 66 HD3 LYS 66 41.978 36.103 27.763 504 HE2 LYS 66 HE2 LYS 66 40.401 37.731 26.680 505 HE3 LYS 66 HE3 LYS 66 41.525 39.033 27.082 506 HZ1 LYS 66 HZ1 LYS 66 41.940 36.858 25.121 507 HZ2 LYS 66 HZ2 LYS 66 42.051 38.476 24.892 508 HZ3 LYS 66 HZ3 LYS 66 43.212 37.688 25.739 509 HN1 NH2 67 HN1 NH2 67 39.146 38.475 31.253 510 HN2 NH2 67 HN2 NH2 67 39.577 40.006 31.977 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 12.470 30.752 30.261 2 H2 LYS 1 H2 LYS 1 11.958 32.309 30.381 3 H3 LYS 1 H3 LYS 1 11.565 31.245 31.554 4 HA LYS 1 HA LYS 1 13.267 32.577 32.414 5 HB2 LYS 1 HB2 LYS 1 13.362 30.127 32.909 6 HB3 LYS 1 HB3 LYS 1 14.537 29.928 31.609 7 HG2 LYS 1 HG2 LYS 1 16.169 31.294 32.749 8 HG3 LYS 1 HG3 LYS 1 14.965 31.857 33.916 9 HD2 LYS 1 HD2 LYS 1 14.762 29.514 34.793 10 HD3 LYS 1 HD3 LYS 1 16.052 29.014 33.688 11 HE2 LYS 1 HE2 LYS 1 17.605 30.616 34.780 12 HE3 LYS 1 HE3 LYS 1 16.300 31.171 35.832 13 HZ1 LYS 1 HZ1 LYS 1 17.530 28.476 35.829 14 HZ2 LYS 1 HZ2 LYS 1 17.564 29.567 37.055 15 HZ3 LYS 1 HZ3 LYS 1 16.161 28.834 36.666 16 H GLU 2 H GLU 2 15.027 33.870 32.165 17 HA GLU 2 HA GLU 2 16.422 33.903 29.508 18 HB2 GLU 2 HB2 GLU 2 16.236 36.221 31.459 19 HB3 GLU 2 HB3 GLU 2 16.883 36.198 29.824 20 HG2 GLU 2 HG2 GLU 2 14.885 37.269 29.508 21 HG3 GLU 2 HG3 GLU 2 14.483 35.621 29.038 22 H GLY 3 H GLY 3 18.790 34.433 29.628 23 HA2 GLY 3 HA2 GLY 3 20.139 34.619 32.126 24 HA3 GLY 3 HA3 GLY 3 20.146 32.929 31.627 25 H TYR 4 H TYR 4 22.444 34.262 32.081 26 HA TYR 4 HA TYR 4 23.770 35.301 29.751 27 HB2 TYR 4 HB2 TYR 4 24.532 35.743 31.971 28 HB3 TYR 4 HB3 TYR 4 24.604 34.042 32.363 29 HD1 TYR 4 HD1 TYR 4 26.549 32.736 31.988 30 HD2 TYR 4 HD2 TYR 4 26.297 36.762 30.473 31 HE1 TYR 4 HE1 TYR 4 29.030 32.795 31.714 32 HE2 TYR 4 HE2 TYR 4 28.761 36.785 30.156 33 HH TYR 4 HH TYR 4 30.770 33.911 30.781 34 H LEU 5 H LEU 5 25.263 34.276 28.333 35 HA LEU 5 HA LEU 5 24.769 31.433 27.726 36 HB2 LEU 5 HB2 LEU 5 24.893 33.087 25.898 37 HB3 LEU 5 HB3 LEU 5 26.503 33.564 26.423 38 HG LEU 5 HG LEU 5 27.318 31.220 25.904 39 HD11 LEU 5 HD11 LEU 5 25.956 29.796 24.452 40 HD12 LEU 5 HD12 LEU 5 25.105 30.044 25.989 41 HD13 LEU 5 HD13 LEU 5 24.608 30.945 24.542 42 HD21 LEU 5 HD21 LEU 5 27.394 31.567 23.497 43 HD22 LEU 5 HD22 LEU 5 26.008 32.669 23.577 44 HD23 LEU 5 HD23 LEU 5 27.553 33.127 24.322 45 H VAL 6 H VAL 6 25.648 30.266 29.466 46 HA VAL 6 HA VAL 6 28.142 31.095 30.635 47 HB VAL 6 HB VAL 6 26.163 30.143 31.850 48 HG11 VAL 6 HG11 VAL 6 27.401 27.428 31.236 49 HG12 VAL 6 HG12 VAL 6 25.963 27.783 32.213 50 HG13 VAL 6 HG13 VAL 6 25.926 28.038 30.458 51 HG21 VAL 6 HG21 VAL 6 27.539 29.136 33.589 52 HG22 VAL 6 HG22 VAL 6 28.889 28.957 32.460 53 HG23 VAL 6 HG23 VAL 6 28.316 30.580 32.920 54 H ASP 7 H ASP 7 30.170 30.409 30.494 55 HA ASP 7 HA ASP 7 30.733 27.838 29.116 56 HB2 ASP 7 HB2 ASP 7 30.907 29.726 27.558 57 HB3 ASP 7 HB3 ASP 7 32.118 30.480 28.593 58 H TYR 8 H TYR 8 32.513 26.791 29.616 59 HA TYR 8 HA TYR 8 33.829 27.257 32.234 60 HB2 TYR 8 HB2 TYR 8 34.645 24.937 31.827 61 HB3 TYR 8 HB3 TYR 8 32.895 25.055 31.830 62 HD1 TYR 8 HD1 TYR 8 31.584 24.633 29.780 63 HD2 TYR 8 HD2 TYR 8 35.899 24.504 29.747 64 HE1 TYR 8 HE1 TYR 8 31.551 23.679 27.479 65 HE2 TYR 8 HE2 TYR 8 35.856 23.544 27.468 66 HH TYR 8 HH TYR 8 34.573 22.849 25.745 67 H HIS 9 H HIS 9 34.521 27.277 28.737 68 HA HIS 9 HA HIS 9 37.430 27.275 29.092 69 HB2 HIS 9 HB2 HIS 9 36.302 26.186 27.181 70 HB3 HIS 9 HB3 HIS 9 35.699 27.749 26.633 71 HD2 HIS 9 HD2 HIS 9 37.173 28.886 24.833 72 HE1 HIS 9 HE1 HIS 9 40.898 26.958 25.577 73 HE2 HIS 9 HE2 HIS 9 39.675 28.609 24.069 74 H THR 10 H THR 10 34.978 29.713 28.294 75 HA THR 10 HA THR 10 36.966 31.892 28.749 76 HB THR 10 HB THR 10 35.515 33.376 27.533 77 HG1 THR 10 HG1 THR 10 33.965 31.063 26.982 78 HG21 THR 10 HG21 THR 10 37.240 32.119 26.272 79 HG22 THR 10 HG22 THR 10 36.043 30.857 25.901 80 HG23 THR 10 HG23 THR 10 35.824 32.505 25.280 81 H GLY 11 H GLY 11 36.739 33.294 30.351 82 HA2 GLY 11 HA2 GLY 11 34.478 32.998 32.280 83 HA3 GLY 11 HA3 GLY 11 36.000 33.858 32.537 84 H CYS 12 H CYS 12 35.845 35.270 29.917 85 HA CYS 12 HA CYS 12 33.958 37.415 30.596 86 HB2 CYS 12 HB2 CYS 12 35.809 37.127 28.223 87 HB3 CYS 12 HB3 CYS 12 34.935 38.578 28.694 88 H LYS 13 H LYS 13 32.210 38.089 29.373 89 HA LYS 13 HA LYS 13 30.502 36.285 28.148 90 HB2 LYS 13 HB2 LYS 13 29.312 38.326 27.472 91 HB3 LYS 13 HB3 LYS 13 29.889 38.391 29.125 92 HG2 LYS 13 HG2 LYS 13 31.967 39.699 28.054 93 HG3 LYS 13 HG3 LYS 13 30.881 39.912 26.694 94 HD2 LYS 13 HD2 LYS 13 30.677 41.824 28.084 95 HD3 LYS 13 HD3 LYS 13 29.192 40.869 28.355 96 HE2 LYS 13 HE2 LYS 13 30.238 39.925 30.410 97 HE3 LYS 13 HE3 LYS 13 31.681 40.898 30.128 98 HZ1 LYS 13 HZ1 LYS 13 28.959 41.953 30.683 99 HZ2 LYS 13 HZ2 LYS 13 30.219 41.890 31.736 100 HZ3 LYS 13 HZ3 LYS 13 30.284 42.883 30.410 101 H TYR 14 H TYR 14 30.076 35.526 26.112 102 HA TYR 14 HA TYR 14 32.020 35.896 23.990 103 HB2 TYR 14 HB2 TYR 14 29.386 34.452 24.183 104 HB3 TYR 14 HB3 TYR 14 30.157 34.705 22.617 105 HD1 TYR 14 HD1 TYR 14 32.660 33.996 22.373 106 HD2 TYR 14 HD2 TYR 14 29.980 32.455 25.374 107 HE1 TYR 14 HE1 TYR 14 34.102 31.980 22.628 108 HE2 TYR 14 HE2 TYR 14 31.402 30.431 25.577 109 HH TYR 14 HH TYR 14 33.641 29.695 25.241 110 H THR 15 H THR 15 32.087 37.275 22.418 111 HA THR 15 HA THR 15 30.512 39.678 22.579 112 HB THR 15 HB THR 15 32.072 40.513 20.876 113 HG1 THR 15 HG1 THR 15 33.650 39.176 20.066 114 HG21 THR 15 HG21 THR 15 32.789 40.454 23.274 115 HG22 THR 15 HG22 THR 15 33.543 38.872 22.991 116 HG23 THR 15 HG23 THR 15 34.147 40.301 22.140 117 H CYS 16 H CYS 16 29.390 40.777 20.937 118 HA CYS 16 HA CYS 16 28.787 39.359 18.422 119 HB2 CYS 16 HB2 CYS 16 26.394 39.887 18.545 120 HB3 CYS 16 HB3 CYS 16 26.923 38.730 19.771 121 H ALA 17 H ALA 17 28.323 40.745 16.687 122 HA ALA 17 HA ALA 17 29.935 43.155 16.909 123 HB1 ALA 17 HB1 ALA 17 29.703 43.050 14.403 124 HB2 ALA 17 HB2 ALA 17 30.354 41.594 15.162 125 HB3 ALA 17 HB3 ALA 17 28.660 41.633 14.603 126 H LYS 18 H LYS 18 26.483 42.546 16.307 127 HA LYS 18 HA LYS 18 25.952 45.469 16.315 128 HB2 LYS 18 HB2 LYS 18 26.474 44.590 13.949 129 HB3 LYS 18 HB3 LYS 18 24.936 43.717 14.067 130 HG2 LYS 18 HG2 LYS 18 23.758 45.889 14.381 131 HG3 LYS 18 HG3 LYS 18 25.318 46.736 14.278 132 HD2 LYS 18 HD2 LYS 18 25.658 45.880 11.988 133 HD3 LYS 18 HD3 LYS 18 24.113 45.003 12.088 134 HE2 LYS 18 HE2 LYS 18 22.899 47.124 12.369 135 HE3 LYS 18 HE3 LYS 18 24.425 48.024 12.356 136 HZ1 LYS 18 HZ1 LYS 18 24.779 47.330 10.070 137 HZ2 LYS 18 HZ2 LYS 18 23.428 46.408 10.073 138 HZ3 LYS 18 HZ3 LYS 18 23.328 48.068 10.205 139 H LEU 19 H LEU 19 24.062 46.030 17.039 140 HA LEU 19 HA LEU 19 22.470 44.126 18.571 141 HB2 LEU 19 HB2 LEU 19 21.940 47.051 17.962 142 HB3 LEU 19 HB3 LEU 19 21.109 46.092 19.176 143 HG LEU 19 HG LEU 19 24.100 46.729 19.237 144 HD11 LEU 19 HD11 LEU 19 23.533 48.306 21.025 145 HD12 LEU 19 HD12 LEU 19 22.733 48.750 19.507 146 HD13 LEU 19 HD13 LEU 19 21.802 47.964 20.802 147 HD21 LEU 19 HD21 LEU 19 23.563 44.675 20.487 148 HD22 LEU 19 HD22 LEU 19 23.965 46.000 21.590 149 HD23 LEU 19 HD23 LEU 19 22.269 45.531 21.357 150 H GLY 20 H GLY 20 20.337 43.454 18.212 151 HA2 GLY 20 HA2 GLY 20 18.463 42.861 16.990 152 HA3 GLY 20 HA3 GLY 20 18.900 44.015 15.736 153 H ASP 21 H ASP 21 21.646 42.638 15.425 154 HA ASP 21 HA ASP 21 20.761 40.473 13.634 155 HB2 ASP 21 HB2 ASP 21 23.484 41.698 14.075 156 HB3 ASP 21 HB3 ASP 21 23.175 40.315 13.027 157 H ASN 22 H ASN 22 19.822 39.469 15.553 158 HA ASN 22 HA ASN 22 21.484 38.211 17.527 159 HB2 ASN 22 HB2 ASN 22 18.541 37.919 16.829 160 HB3 ASN 22 HB3 ASN 22 19.267 37.398 18.343 161 HD21 ASN 22 HD21 ASN 22 17.685 40.874 18.566 162 HD22 ASN 22 HD22 ASN 22 17.100 39.377 17.812 163 H ASP 23 H ASP 23 20.622 36.981 14.380 164 HA ASP 23 HA ASP 23 19.780 34.387 15.126 165 HB2 ASP 23 HB2 ASP 23 21.084 35.247 12.524 166 HB3 ASP 23 HB3 ASP 23 20.266 33.716 12.791 167 H TYR 24 H TYR 24 23.192 35.456 14.730 168 HA TYR 24 HA TYR 24 24.131 32.701 14.995 169 HB2 TYR 24 HB2 TYR 24 25.412 34.600 13.917 170 HB3 TYR 24 HB3 TYR 24 25.778 35.166 15.550 171 HD1 TYR 24 HD1 TYR 24 26.161 32.391 13.123 172 HD2 TYR 24 HD2 TYR 24 27.358 33.900 16.980 173 HE1 TYR 24 HE1 TYR 24 27.982 30.698 13.215 174 HE2 TYR 24 HE2 TYR 24 29.151 32.174 17.083 175 HH TYR 24 HH TYR 24 30.016 30.278 16.089 176 H CYS 25 H CYS 25 23.535 35.345 17.340 177 HA CYS 25 HA CYS 25 24.481 33.910 19.643 178 HB2 CYS 25 HB2 CYS 25 24.068 36.285 19.685 179 HB3 CYS 25 HB3 CYS 25 22.366 36.055 19.288 180 H VAL 26 H VAL 26 21.300 33.867 17.967 181 HA VAL 26 HA VAL 26 20.008 32.000 19.707 182 HB VAL 26 HB VAL 26 19.632 32.512 16.738 183 HG11 VAL 26 HG11 VAL 26 18.703 30.304 17.177 184 HG12 VAL 26 HG12 VAL 26 17.876 30.902 18.635 185 HG13 VAL 26 HG13 VAL 26 17.389 31.466 17.020 186 HG21 VAL 26 HG21 VAL 26 17.995 33.392 19.147 187 HG22 VAL 26 HG22 VAL 26 19.125 34.433 18.272 188 HG23 VAL 26 HG23 VAL 26 17.698 33.811 17.445 189 H ARG 27 H ARG 27 22.060 31.343 16.820 190 HA ARG 27 HA ARG 27 22.029 28.482 16.901 191 HB2 ARG 27 HB2 ARG 27 23.024 29.600 15.034 192 HB3 ARG 27 HB3 ARG 27 24.150 30.483 16.027 193 HG2 ARG 27 HG2 ARG 27 25.368 28.458 16.615 194 HG3 ARG 27 HG3 ARG 27 24.239 27.465 15.673 195 HD2 ARG 27 HD2 ARG 27 25.034 28.297 13.637 196 HD3 ARG 27 HD3 ARG 27 25.737 29.745 14.374 197 HE ARG 27 HE ARG 27 27.226 27.794 15.550 198 HH11 ARG 27 HH11 ARG 27 26.538 28.351 12.137 199 HH12 ARG 27 HH12 ARG 27 28.081 27.672 11.645 200 HH21 ARG 27 HH21 ARG 27 29.266 27.128 14.781 201 HH22 ARG 27 HH22 ARG 27 29.506 27.025 13.059 202 H GLU 28 H GLU 28 24.297 30.726 18.441 203 HA GLU 28 HA GLU 28 25.800 28.729 19.784 204 HB2 GLU 28 HB2 GLU 28 25.329 31.631 20.482 205 HB3 GLU 28 HB3 GLU 28 26.517 30.639 21.321 206 HG2 GLU 28 HG2 GLU 28 26.635 30.981 18.305 207 HG3 GLU 28 HG3 GLU 28 27.333 32.149 19.428 208 H CYS 29 H CYS 29 22.985 30.588 21.095 209 HA CYS 29 HA CYS 29 23.038 29.397 23.694 210 HB2 CYS 29 HB2 CYS 29 20.768 30.558 22.042 211 HB3 CYS 29 HB3 CYS 29 20.591 30.068 23.722 212 H ARG 30 H ARG 30 21.347 28.359 20.680 213 HA ARG 30 HA ARG 30 20.182 26.035 22.045 214 HB2 ARG 30 HB2 ARG 30 18.892 25.740 20.160 215 HB3 ARG 30 HB3 ARG 30 19.106 27.491 20.253 216 HG2 ARG 30 HG2 ARG 30 20.994 27.238 18.563 217 HG3 ARG 30 HG3 ARG 30 20.505 25.557 18.354 218 HD2 ARG 30 HD2 ARG 30 18.724 27.993 17.900 219 HD3 ARG 30 HD3 ARG 30 19.591 27.105 16.640 220 HE ARG 30 HE ARG 30 17.649 25.649 18.393 221 HH11 ARG 30 HH11 ARG 30 18.254 26.836 15.148 222 HH12 ARG 30 HH12 ARG 30 17.299 25.565 14.419 223 HH21 ARG 30 HH21 ARG 30 16.342 24.279 17.505 224 HH22 ARG 30 HH22 ARG 30 16.087 24.211 15.763 225 H LEU 31 H LEU 31 23.222 26.454 20.671 226 HA LEU 31 HA LEU 31 23.562 23.482 20.496 227 HB2 LEU 31 HB2 LEU 31 25.330 25.800 19.653 228 HB3 LEU 31 HB3 LEU 31 25.846 24.113 19.607 229 HG LEU 31 HG LEU 31 23.434 25.200 18.072 230 HD11 LEU 31 HD11 LEU 31 26.205 24.472 17.054 231 HD12 LEU 31 HD12 LEU 31 24.839 25.045 16.085 232 HD13 LEU 31 HD13 LEU 31 25.591 26.125 17.274 233 HD21 LEU 31 HD21 LEU 31 24.883 22.524 17.921 234 HD22 LEU 31 HD22 LEU 31 23.214 22.792 18.481 235 HD23 LEU 31 HD23 LEU 31 23.630 23.081 16.796 236 H ARG 32 H ARG 32 24.446 26.232 22.516 237 HA ARG 32 HA ARG 32 26.173 24.729 24.324 238 HB2 ARG 32 HB2 ARG 32 26.229 27.218 24.019 239 HB3 ARG 32 HB3 ARG 32 24.599 27.334 24.661 240 HG2 ARG 32 HG2 ARG 32 26.124 27.974 26.401 241 HG3 ARG 32 HG3 ARG 32 25.406 26.438 26.848 242 HD2 ARG 32 HD2 ARG 32 27.695 26.375 27.410 243 HD3 ARG 32 HD3 ARG 32 27.489 25.278 26.046 244 HE ARG 32 HE ARG 32 28.244 27.633 24.811 245 HH11 ARG 32 HH11 ARG 32 29.761 26.018 27.569 246 HH12 ARG 32 HH12 ARG 32 31.348 26.546 27.039 247 HH21 ARG 32 HH21 ARG 32 30.309 28.103 24.221 248 HH22 ARG 32 HH22 ARG 32 31.634 27.430 25.142 249 H TYR 33 H TYR 33 22.767 25.786 24.467 250 HA TYR 33 HA TYR 33 22.191 23.794 26.625 251 HB2 TYR 33 HB2 TYR 33 20.440 26.045 25.596 252 HB3 TYR 33 HB3 TYR 33 20.190 25.075 27.046 253 HD1 TYR 33 HD1 TYR 33 20.422 28.204 26.597 254 HD2 TYR 33 HD2 TYR 33 23.031 25.152 28.182 255 HE1 TYR 33 HE1 TYR 33 21.682 29.936 27.909 256 HE2 TYR 33 HE2 TYR 33 24.257 26.860 29.472 257 HH TYR 33 HH TYR 33 23.379 30.290 29.574 258 H TYR 34 H TYR 34 19.551 23.320 26.200 259 HA TYR 34 HA TYR 34 19.326 21.399 24.179 260 HB2 TYR 34 HB2 TYR 34 17.054 21.305 24.699 261 HB3 TYR 34 HB3 TYR 34 17.879 21.685 26.194 262 HD1 TYR 34 HD1 TYR 34 14.880 21.993 25.299 263 HD2 TYR 34 HD2 TYR 34 18.140 24.789 25.756 264 HE1 TYR 34 HE1 TYR 34 13.270 23.830 25.734 265 HE2 TYR 34 HE2 TYR 34 16.553 26.596 26.203 266 HH TYR 34 HH TYR 34 13.025 26.106 25.916 267 H GLN 35 H GLN 35 18.253 21.275 22.261 268 HA GLN 35 HA GLN 35 18.813 23.073 20.290 269 HB2 GLN 35 HB2 GLN 35 17.576 21.668 18.858 270 HB3 GLN 35 HB3 GLN 35 18.214 20.670 20.155 271 HG2 GLN 35 HG2 GLN 35 15.320 21.657 19.962 272 HG3 GLN 35 HG3 GLN 35 15.882 20.084 19.441 273 HE21 GLN 35 HE21 GLN 35 14.845 20.445 23.287 274 HE22 GLN 35 HE22 GLN 35 14.411 21.650 22.074 275 H SER 36 H SER 36 16.049 23.453 22.368 276 HA SER 36 HA SER 36 14.659 25.224 20.449 277 HB2 SER 36 HB2 SER 36 13.732 24.204 23.142 278 HB3 SER 36 HB3 SER 36 12.766 24.995 21.890 279 HG SER 36 HG SER 36 13.258 23.225 20.498 280 H ALA 37 H ALA 37 17.138 25.759 22.507 281 HA ALA 37 HA ALA 37 16.204 28.041 24.006 282 HB1 ALA 37 HB1 ALA 37 18.569 28.587 24.276 283 HB2 ALA 37 HB2 ALA 37 18.355 26.828 24.428 284 HB3 ALA 37 HB3 ALA 37 18.987 27.538 22.931 285 H HIS 38 H HIS 38 16.747 30.344 23.687 286 HA HIS 38 HA HIS 38 17.246 31.245 20.917 287 HB2 HIS 38 HB2 HIS 38 14.692 31.080 21.594 288 HB3 HIS 38 HB3 HIS 38 15.035 32.556 22.493 289 HD2 HIS 38 HD2 HIS 38 14.638 31.158 18.950 290 HE1 HIS 38 HE1 HIS 38 15.352 35.329 18.453 291 HE2 HIS 38 HE2 HIS 38 14.710 33.177 17.256 292 H GLY 39 H GLY 39 17.273 33.943 21.171 293 HA2 GLY 39 HA2 GLY 39 18.346 35.047 23.518 294 HA3 GLY 39 HA3 GLY 39 19.719 34.408 22.615 295 H TYR 40 H TYR 40 20.098 36.848 22.979 296 HA TYR 40 HA TYR 40 19.846 38.101 20.394 297 HB2 TYR 40 HB2 TYR 40 18.763 40.078 20.906 298 HB3 TYR 40 HB3 TYR 40 17.724 38.824 21.488 299 HD1 TYR 40 HD1 TYR 40 18.935 38.298 24.277 300 HD2 TYR 40 HD2 TYR 40 18.153 41.956 22.118 301 HE1 TYR 40 HE1 TYR 40 18.712 39.519 26.418 302 HE2 TYR 40 HE2 TYR 40 17.915 43.162 24.280 303 HH TYR 40 HH TYR 40 18.366 41.537 27.443 304 H CYS 41 H CYS 41 20.965 40.154 20.225 305 HA CYS 41 HA CYS 41 23.550 40.071 21.681 306 HB2 CYS 41 HB2 CYS 41 23.546 40.180 19.220 307 HB3 CYS 41 HB3 CYS 41 22.618 41.677 19.273 308 H TYR 42 H TYR 42 23.808 41.258 23.484 309 HA TYR 42 HA TYR 42 22.420 43.889 23.796 310 HB2 TYR 42 HB2 TYR 42 20.954 42.251 24.771 311 HB3 TYR 42 HB3 TYR 42 22.276 41.451 25.599 312 HD1 TYR 42 HD1 TYR 42 20.487 44.758 25.420 313 HD2 TYR 42 HD2 TYR 42 22.792 42.012 27.819 314 HE1 TYR 42 HE1 TYR 42 20.177 46.230 27.412 315 HE2 TYR 42 HE2 TYR 42 22.486 43.483 29.801 316 HH TYR 42 HH TYR 42 21.607 45.414 30.599 317 H ALA 43 H ALA 43 23.696 45.458 24.707 318 HA ALA 43 HA ALA 43 25.652 46.457 25.150 319 HB1 ALA 43 HB1 ALA 43 24.888 45.742 27.403 320 HB2 ALA 43 HB2 ALA 43 25.955 44.324 27.291 321 HB3 ALA 43 HB3 ALA 43 26.638 45.967 27.286 322 H PHE 44 H PHE 44 25.812 44.718 22.979 323 HA PHE 44 HA PHE 44 27.126 43.623 21.556 324 HB2 PHE 44 HB2 PHE 44 29.382 45.094 22.919 325 HB3 PHE 44 HB3 PHE 44 29.460 44.313 21.346 326 HD1 PHE 44 HD1 PHE 44 28.258 47.257 23.186 327 HD2 PHE 44 HD2 PHE 44 28.090 45.139 19.428 328 HE1 PHE 44 HE1 PHE 44 27.281 49.267 22.092 329 HE2 PHE 44 HE2 PHE 44 27.109 47.149 18.343 330 HZ PHE 44 HZ PHE 44 26.701 49.208 19.673 331 H ALA 45 H ALA 45 26.490 42.141 24.031 332 HA ALA 45 HA ALA 45 28.240 39.874 23.303 333 HB1 ALA 45 HB1 ALA 45 29.169 40.740 25.372 334 HB2 ALA 45 HB2 ALA 45 27.575 40.688 26.155 335 HB3 ALA 45 HB3 ALA 45 28.370 39.176 25.656 336 H CYS 46 H CYS 46 27.295 37.805 23.494 337 HA CYS 46 HA CYS 46 24.452 37.823 22.840 338 HB2 CYS 46 HB2 CYS 46 25.932 36.382 21.624 339 HB3 CYS 46 HB3 CYS 46 26.524 35.638 23.107 340 H TRP 47 H TRP 47 22.736 37.402 24.063 341 HA TRP 47 HA TRP 47 23.019 36.161 26.770 342 HB2 TRP 47 HB2 TRP 47 22.865 38.676 26.817 343 HB3 TRP 47 HB3 TRP 47 21.298 38.558 26.041 344 HD1 TRP 47 HD1 TRP 47 19.290 37.526 27.545 345 HE1 TRP 47 HE1 TRP 47 18.894 37.626 30.074 346 HE3 TRP 47 HE3 TRP 47 24.109 38.330 29.083 347 HZ2 TRP 47 HZ2 TRP 47 20.489 37.804 32.474 348 HZ3 TRP 47 HZ3 TRP 47 24.646 38.426 31.518 349 HH2 TRP 47 HH2 TRP 47 22.848 38.170 33.207 350 H CYS 48 H CYS 48 21.367 34.682 27.288 351 HA CYS 48 HA CYS 48 19.793 33.862 24.918 352 HB2 CYS 48 HB2 CYS 48 20.562 32.316 27.379 353 HB3 CYS 48 HB3 CYS 48 19.734 31.681 25.949 354 H THR 49 H THR 49 17.632 33.211 25.031 355 HA THR 49 HA THR 49 15.966 34.138 27.312 356 HB THR 49 HB THR 49 14.570 35.516 25.926 357 HG1 THR 49 HG1 THR 49 14.603 34.804 23.964 358 HG21 THR 49 HG21 THR 49 17.427 36.396 25.382 359 HG22 THR 49 HG22 THR 49 15.970 37.405 25.424 360 HG23 THR 49 HG23 THR 49 16.558 36.645 26.916 361 H HIS 50 H HIS 50 13.624 33.596 26.973 362 HA HIS 50 HA HIS 50 12.011 32.032 26.697 363 HB2 HIS 50 HB2 HIS 50 13.165 31.698 23.909 364 HB3 HIS 50 HB3 HIS 50 11.545 31.264 24.436 365 HD2 HIS 50 HD2 HIS 50 9.705 33.095 24.341 366 HE1 HIS 50 HE1 HIS 50 12.125 36.510 23.528 367 HE2 HIS 50 HE2 HIS 50 9.727 35.662 23.746 368 H LEU 51 H LEU 51 14.288 31.140 28.019 369 HA LEU 51 HA LEU 51 14.873 28.396 27.174 370 HB2 LEU 51 HB2 LEU 51 15.840 29.835 29.661 371 HB3 LEU 51 HB3 LEU 51 16.518 28.396 28.932 372 HG LEU 51 HG LEU 51 16.603 31.202 27.739 373 HD11 LEU 51 HD11 LEU 51 18.980 31.083 28.284 374 HD12 LEU 51 HD12 LEU 51 18.016 30.876 29.744 375 HD13 LEU 51 HD13 LEU 51 18.777 29.463 28.980 376 HD21 LEU 51 HD21 LEU 51 17.895 28.602 26.794 377 HD22 LEU 51 HD22 LEU 51 16.558 29.458 25.982 378 HD23 LEU 51 HD23 LEU 51 18.140 30.219 26.088 379 H TYR 52 H TYR 52 14.655 26.591 28.450 380 HA TYR 52 HA TYR 52 12.421 26.232 30.155 381 HB2 TYR 52 HB2 TYR 52 13.454 24.051 30.645 382 HB3 TYR 52 HB3 TYR 52 13.248 24.408 28.960 383 HD1 TYR 52 HD1 TYR 52 16.345 26.013 30.096 384 HD2 TYR 52 HD2 TYR 52 14.571 22.265 28.915 385 HE1 TYR 52 HE1 TYR 52 18.593 25.108 29.585 386 HE2 TYR 52 HE2 TYR 52 16.819 21.367 28.409 387 HH TYR 52 HH TYR 52 19.823 23.129 29.096 388 H GLU 53 H GLU 53 12.331 25.662 32.405 389 HA GLU 53 HA GLU 53 13.901 27.388 34.137 390 HB2 GLU 53 HB2 GLU 53 12.650 26.472 35.958 391 HB3 GLU 53 HB3 GLU 53 11.580 26.820 34.601 392 HG2 GLU 53 HG2 GLU 53 11.727 24.330 34.006 393 HG3 GLU 53 HG3 GLU 53 12.530 24.097 35.558 394 H GLN 54 H GLN 54 14.540 24.246 32.853 395 HA GLN 54 HA GLN 54 16.511 23.428 34.785 396 HB2 GLN 54 HB2 GLN 54 15.947 22.627 31.905 397 HB3 GLN 54 HB3 GLN 54 17.252 21.937 32.864 398 HG2 GLN 54 HG2 GLN 54 15.488 20.416 33.115 399 HG3 GLN 54 HG3 GLN 54 15.587 21.287 34.630 400 HE21 GLN 54 HE21 GLN 54 12.031 21.261 34.211 401 HE22 GLN 54 HE22 GLN 54 13.386 20.570 35.111 402 H ALA 55 H ALA 55 16.732 26.143 32.721 403 HA ALA 55 HA ALA 55 19.611 25.976 32.253 404 HB1 ALA 55 HB1 ALA 55 17.719 28.359 32.257 405 HB2 ALA 55 HB2 ALA 55 19.401 28.372 31.701 406 HB3 ALA 55 HB3 ALA 55 18.196 27.392 30.843 407 H VAL 56 H VAL 56 21.288 26.858 33.454 408 HA VAL 56 HA VAL 56 20.902 28.501 35.791 409 HB VAL 56 HB VAL 56 20.431 26.185 36.642 410 HG11 VAL 56 HG11 VAL 56 22.115 24.938 35.324 411 HG12 VAL 56 HG12 VAL 56 23.409 25.723 36.259 412 HG13 VAL 56 HG13 VAL 56 22.250 24.647 37.064 413 HG21 VAL 56 HG21 VAL 56 22.816 27.604 37.879 414 HG22 VAL 56 HG22 VAL 56 21.108 28.001 38.136 415 HG23 VAL 56 HG23 VAL 56 21.743 26.443 38.683 416 H VAL 57 H VAL 57 22.853 29.552 36.426 417 HA VAL 57 HA VAL 57 25.103 29.282 34.453 418 HB VAL 57 HB VAL 57 23.622 31.722 35.481 419 HG11 VAL 57 HG11 VAL 57 25.230 33.116 34.249 420 HG12 VAL 57 HG12 VAL 57 25.969 32.348 35.633 421 HG13 VAL 57 HG13 VAL 57 26.279 31.694 34.009 422 HG21 VAL 57 HG21 VAL 57 24.229 30.651 32.696 423 HG22 VAL 57 HG22 VAL 57 22.670 30.610 33.524 424 HG23 VAL 57 HG23 VAL 57 23.373 32.157 33.067 425 H TRP 58 H TRP 58 24.476 30.224 37.887 426 HA TRP 58 HA TRP 58 27.166 30.877 38.426 427 HB2 TRP 58 HB2 TRP 58 25.199 29.794 40.441 428 HB3 TRP 58 HB3 TRP 58 26.578 30.842 40.745 429 HD1 TRP 58 HD1 TRP 58 26.309 33.237 39.022 430 HE1 TRP 58 HE1 TRP 58 24.270 34.773 38.878 431 HE3 TRP 58 HE3 TRP 58 22.779 30.074 40.978 432 HZ2 TRP 58 HZ2 TRP 58 21.464 34.633 39.472 433 HZ3 TRP 58 HZ3 TRP 58 20.419 30.818 41.184 434 HH2 TRP 58 HH2 TRP 58 19.753 33.098 40.448 435 HA PRO 59 HA PRO 59 27.831 26.409 40.214 436 HB2 PRO 59 HB2 PRO 59 26.725 24.855 37.871 437 HB3 PRO 59 HB3 PRO 59 26.814 24.370 39.589 438 HG2 PRO 59 HG2 PRO 59 24.490 25.281 38.612 439 HG3 PRO 59 HG3 PRO 59 25.075 25.920 40.188 440 HD2 PRO 59 HD2 PRO 59 25.342 27.167 37.434 441 HD3 PRO 59 HD3 PRO 59 24.789 27.908 38.971 442 H LEU 60 H LEU 60 29.159 27.974 37.807 443 HA LEU 60 HA LEU 60 31.120 25.895 36.938 444 HB2 LEU 60 HB2 LEU 60 30.407 28.649 35.931 445 HB3 LEU 60 HB3 LEU 60 31.957 27.932 35.534 446 HG LEU 60 HG LEU 60 30.334 27.683 33.747 447 HD11 LEU 60 HD11 LEU 60 31.039 24.976 34.919 448 HD12 LEU 60 HD12 LEU 60 30.681 25.363 33.227 449 HD13 LEU 60 HD13 LEU 60 32.133 26.031 33.992 450 HD21 LEU 60 HD21 LEU 60 28.412 26.252 33.824 451 HD22 LEU 60 HD22 LEU 60 28.753 25.756 35.486 452 HD23 LEU 60 HD23 LEU 60 28.256 27.426 35.140 453 HA PRO 61 HA PRO 61 33.809 27.981 40.094 454 HB2 PRO 61 HB2 PRO 61 35.408 25.849 40.639 455 HB3 PRO 61 HB3 PRO 61 33.784 26.027 41.372 456 HG2 PRO 61 HG2 PRO 61 34.551 24.415 38.912 457 HG3 PRO 61 HG3 PRO 61 33.620 23.863 40.345 458 HD2 PRO 61 HD2 PRO 61 32.373 24.693 38.090 459 HD3 PRO 61 HD3 PRO 61 31.717 25.097 39.704 460 H ASN 62 H ASN 62 34.075 26.732 36.992 461 HA ASN 62 HA ASN 62 36.739 26.392 36.508 462 HB2 ASN 62 HB2 ASN 62 34.534 27.231 34.590 463 HB3 ASN 62 HB3 ASN 62 36.111 26.612 34.109 464 HD21 ASN 62 HD21 ASN 62 35.038 23.275 34.412 465 HD22 ASN 62 HD22 ASN 62 36.113 24.429 33.644 466 H LYS 63 H LYS 63 35.143 29.432 35.244 467 HA LYS 63 HA LYS 63 37.800 30.809 35.611 468 HB2 LYS 63 HB2 LYS 63 37.659 29.516 33.453 469 HB3 LYS 63 HB3 LYS 63 36.445 30.695 32.929 470 HG2 LYS 63 HG2 LYS 63 38.058 32.534 33.369 471 HG3 LYS 63 HG3 LYS 63 39.257 31.376 33.960 472 HD2 LYS 63 HD2 LYS 63 38.051 31.378 31.193 473 HD3 LYS 63 HD3 LYS 63 39.563 32.192 31.614 474 HE2 LYS 63 HE2 LYS 63 39.047 29.181 31.730 475 HE3 LYS 63 HE3 LYS 63 39.961 30.050 30.493 476 HZ1 LYS 63 HZ1 LYS 63 40.716 29.612 33.296 477 HZ2 LYS 63 HZ2 LYS 63 41.566 29.272 31.937 478 HZ3 LYS 63 HZ3 LYS 63 41.403 30.834 32.430 479 H ARG 64 H ARG 64 37.755 32.850 36.109 480 HA ARG 64 HA ARG 64 35.300 34.553 35.816 481 HB2 ARG 64 HB2 ARG 64 37.766 34.655 37.593 482 HB3 ARG 64 HB3 ARG 64 36.856 36.110 37.254 483 HG2 ARG 64 HG2 ARG 64 36.292 35.147 39.404 484 HG3 ARG 64 HG3 ARG 64 34.895 35.324 38.356 485 HD2 ARG 64 HD2 ARG 64 36.335 32.655 38.631 486 HD3 ARG 64 HD3 ARG 64 35.157 33.208 39.830 487 HE ARG 64 HE ARG 64 33.998 33.470 37.222 488 HH11 ARG 64 HH11 ARG 64 34.456 31.026 39.734 489 HH12 ARG 64 HH12 ARG 64 33.264 30.008 38.932 490 HH21 ARG 64 HH21 ARG 64 32.497 32.188 36.493 491 HH22 ARG 64 HH22 ARG 64 32.161 30.639 37.292 492 H CYS 65 H CYS 65 35.439 36.594 34.857 493 HA CYS 65 HA CYS 65 37.213 36.766 32.562 494 HB2 CYS 65 HB2 CYS 65 34.851 37.507 32.537 495 HB3 CYS 65 HB3 CYS 65 35.219 38.739 33.719 496 H LYS 66 H LYS 66 39.214 37.643 32.466 497 HA LYS 66 HA LYS 66 40.336 39.342 34.552 498 HB2 LYS 66 HB2 LYS 66 41.762 37.931 33.171 499 HB3 LYS 66 HB3 LYS 66 41.253 38.773 31.701 500 HG2 LYS 66 HG2 LYS 66 42.302 40.850 32.478 501 HG3 LYS 66 HG3 LYS 66 42.732 40.109 34.024 502 HD2 LYS 66 HD2 LYS 66 43.712 39.020 31.353 503 HD3 LYS 66 HD3 LYS 66 44.570 40.301 32.222 504 HE2 LYS 66 HE2 LYS 66 44.900 38.878 34.166 505 HE3 LYS 66 HE3 LYS 66 43.907 37.595 33.458 506 HZ1 LYS 66 HZ1 LYS 66 45.554 37.246 31.769 507 HZ2 LYS 66 HZ2 LYS 66 46.473 38.536 32.265 508 HZ3 LYS 66 HZ3 LYS 66 46.307 37.232 33.211 509 HN1 NH2 67 HN1 NH2 67 40.084 41.506 34.843 510 HN2 NH2 67 HN2 NH2 67 39.356 42.577 33.671 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 12.196 31.889 30.823 2 H2 LYS 1 H2 LYS 1 11.821 31.136 32.236 3 H3 LYS 1 H3 LYS 1 12.814 30.400 31.142 4 HA LYS 1 HA LYS 1 13.377 32.818 32.699 5 HB2 LYS 1 HB2 LYS 1 13.603 30.229 33.542 6 HB3 LYS 1 HB3 LYS 1 15.209 30.466 32.851 7 HG2 LYS 1 HG2 LYS 1 15.669 32.310 34.328 8 HG3 LYS 1 HG3 LYS 1 13.962 32.473 34.772 9 HD2 LYS 1 HD2 LYS 1 14.002 30.282 35.887 10 HD3 LYS 1 HD3 LYS 1 15.728 30.089 35.515 11 HE2 LYS 1 HE2 LYS 1 14.649 32.506 37.015 12 HE3 LYS 1 HE3 LYS 1 14.944 30.989 37.857 13 HZ1 LYS 1 HZ1 LYS 1 16.842 32.622 37.834 14 HZ2 LYS 1 HZ2 LYS 1 17.232 31.096 37.368 15 HZ3 LYS 1 HZ3 LYS 1 17.064 32.288 36.250 16 H GLU 2 H GLU 2 15.648 33.648 32.461 17 HA GLU 2 HA GLU 2 16.710 33.251 29.684 18 HB2 GLU 2 HB2 GLU 2 16.476 35.880 31.184 19 HB3 GLU 2 HB3 GLU 2 17.089 35.607 29.544 20 HG2 GLU 2 HG2 GLU 2 14.775 34.679 28.972 21 HG3 GLU 2 HG3 GLU 2 14.231 35.297 30.531 22 H GLY 3 H GLY 3 19.021 34.084 29.439 23 HA2 GLY 3 HA2 GLY 3 20.683 34.144 31.814 24 HA3 GLY 3 HA3 GLY 3 20.685 32.538 31.084 25 H TYR 4 H TYR 4 22.980 34.012 31.406 26 HA TYR 4 HA TYR 4 23.691 35.387 28.883 27 HB2 TYR 4 HB2 TYR 4 24.498 36.240 31.047 28 HB3 TYR 4 HB3 TYR 4 25.302 34.715 31.365 29 HD1 TYR 4 HD1 TYR 4 25.112 37.198 28.502 30 HD2 TYR 4 HD2 TYR 4 27.627 34.837 31.124 31 HE1 TYR 4 HE1 TYR 4 27.133 38.110 27.396 32 HE2 TYR 4 HE2 TYR 4 29.652 35.793 30.024 33 HH TYR 4 HH TYR 4 30.174 37.955 28.770 34 H LEU 5 H LEU 5 25.094 34.585 27.300 35 HA LEU 5 HA LEU 5 24.944 31.752 27.020 36 HB2 LEU 5 HB2 LEU 5 24.510 33.413 25.275 37 HB3 LEU 5 HB3 LEU 5 26.230 33.822 25.215 38 HG LEU 5 HG LEU 5 26.787 31.742 24.173 39 HD11 LEU 5 HD11 LEU 5 23.963 30.771 24.735 40 HD12 LEU 5 HD12 LEU 5 25.212 29.908 23.803 41 HD13 LEU 5 HD13 LEU 5 25.428 30.168 25.529 42 HD21 LEU 5 HD21 LEU 5 25.122 31.594 22.279 43 HD22 LEU 5 HD22 LEU 5 24.141 32.789 23.108 44 HD23 LEU 5 HD23 LEU 5 25.802 33.194 22.567 45 H VAL 6 H VAL 6 26.974 32.869 29.049 46 HA VAL 6 HA VAL 6 29.612 32.072 28.446 47 HB VAL 6 HB VAL 6 29.167 33.250 30.443 48 HG11 VAL 6 HG11 VAL 6 26.921 32.412 31.077 49 HG12 VAL 6 HG12 VAL 6 27.642 30.858 31.531 50 HG13 VAL 6 HG13 VAL 6 28.058 32.324 32.429 51 HG21 VAL 6 HG21 VAL 6 30.492 32.095 32.046 52 HG22 VAL 6 HG22 VAL 6 30.091 30.518 31.352 53 HG23 VAL 6 HG23 VAL 6 31.105 31.651 30.447 54 H ASP 7 H ASP 7 30.670 30.264 28.252 55 HA ASP 7 HA ASP 7 29.272 27.644 28.212 56 HB2 ASP 7 HB2 ASP 7 30.672 28.325 26.311 57 HB3 ASP 7 HB3 ASP 7 32.062 28.514 27.377 58 H TYR 8 H TYR 8 28.903 27.874 30.392 59 HA TYR 8 HA TYR 8 30.260 28.388 32.602 60 HB2 TYR 8 HB2 TYR 8 28.613 26.626 33.710 61 HB3 TYR 8 HB3 TYR 8 28.106 28.108 32.943 62 HD1 TYR 8 HD1 TYR 8 26.245 28.035 31.563 63 HD2 TYR 8 HD2 TYR 8 28.756 24.529 31.895 64 HE1 TYR 8 HE1 TYR 8 24.785 26.827 29.950 65 HE2 TYR 8 HE2 TYR 8 27.316 23.355 30.235 66 HH TYR 8 HH TYR 8 25.605 23.618 28.663 67 H HIS 9 H HIS 9 31.373 25.817 30.906 68 HA HIS 9 HA HIS 9 32.706 24.257 33.009 69 HB2 HIS 9 HB2 HIS 9 32.358 23.440 30.694 70 HB3 HIS 9 HB3 HIS 9 33.340 24.760 30.068 71 HD2 HIS 9 HD2 HIS 9 34.306 22.448 33.067 72 HE1 HIS 9 HE1 HIS 9 37.068 21.681 29.926 73 HE2 HIS 9 HE2 HIS 9 36.463 21.124 32.312 74 H THR 10 H THR 10 33.112 27.365 31.495 75 HA THR 10 HA THR 10 35.207 28.156 33.419 76 HB THR 10 HB THR 10 36.474 29.396 31.806 77 HG1 THR 10 HG1 THR 10 34.895 28.243 29.788 78 HG21 THR 10 HG21 THR 10 37.190 27.070 32.118 79 HG22 THR 10 HG22 THR 10 36.190 26.570 30.743 80 HG23 THR 10 HG23 THR 10 37.556 27.678 30.490 81 H GLY 11 H GLY 11 35.391 30.684 33.298 82 HA2 GLY 11 HA2 GLY 11 32.661 31.818 33.384 83 HA3 GLY 11 HA3 GLY 11 34.149 32.580 33.934 84 H CYS 12 H CYS 12 34.408 31.352 30.732 85 HA CYS 12 HA CYS 12 35.150 33.893 29.743 86 HB2 CYS 12 HB2 CYS 12 34.749 31.153 28.560 87 HB3 CYS 12 HB3 CYS 12 35.180 32.502 27.539 88 H LYS 13 H LYS 13 34.344 35.355 28.313 89 HA LYS 13 HA LYS 13 31.471 35.652 28.245 90 HB2 LYS 13 HB2 LYS 13 32.167 37.927 27.402 91 HB3 LYS 13 HB3 LYS 13 32.863 37.446 28.949 92 HG2 LYS 13 HG2 LYS 13 35.012 36.843 27.793 93 HG3 LYS 13 HG3 LYS 13 34.287 37.344 26.253 94 HD2 LYS 13 HD2 LYS 13 35.656 39.112 27.057 95 HD3 LYS 13 HD3 LYS 13 33.957 39.588 27.271 96 HE2 LYS 13 HE2 LYS 13 34.087 39.033 29.679 97 HE3 LYS 13 HE3 LYS 13 35.740 38.444 29.464 98 HZ1 LYS 13 HZ1 LYS 13 34.837 41.246 29.115 99 HZ2 LYS 13 HZ2 LYS 13 35.800 40.651 30.316 100 HZ3 LYS 13 HZ3 LYS 13 36.368 40.704 28.790 101 H TYR 14 H TYR 14 30.293 36.410 26.394 102 HA TYR 14 HA TYR 14 31.294 35.527 23.724 103 HB2 TYR 14 HB2 TYR 14 28.714 34.751 25.074 104 HB3 TYR 14 HB3 TYR 14 28.802 34.889 23.318 105 HD1 TYR 14 HD1 TYR 14 30.157 33.439 21.949 106 HD2 TYR 14 HD2 TYR 14 29.994 32.912 26.222 107 HE1 TYR 14 HE1 TYR 14 31.259 31.240 21.710 108 HE2 TYR 14 HE2 TYR 14 31.061 30.678 25.993 109 HH TYR 14 HH TYR 14 32.229 29.520 22.779 110 H THR 15 H THR 15 31.890 37.634 23.308 111 HA THR 15 HA THR 15 30.024 39.860 23.385 112 HB THR 15 HB THR 15 31.779 41.129 22.268 113 HG1 THR 15 HG1 THR 15 33.235 38.705 22.270 114 HG21 THR 15 HG21 THR 15 32.949 39.420 24.500 115 HG22 THR 15 HG22 THR 15 33.491 41.030 23.981 116 HG23 THR 15 HG23 THR 15 31.899 40.836 24.726 117 H CYS 16 H CYS 16 29.165 41.034 21.730 118 HA CYS 16 HA CYS 16 29.137 40.021 18.940 119 HB2 CYS 16 HB2 CYS 16 27.158 39.031 19.950 120 HB3 CYS 16 HB3 CYS 16 26.743 40.554 20.739 121 H ALA 17 H ALA 17 29.965 41.776 17.829 122 HA ALA 17 HA ALA 17 30.093 44.343 19.111 123 HB1 ALA 17 HB1 ALA 17 30.922 43.541 16.302 124 HB2 ALA 17 HB2 ALA 17 31.519 44.920 17.236 125 HB3 ALA 17 HB3 ALA 17 31.904 43.278 17.764 126 H LYS 18 H LYS 18 27.313 43.459 18.140 127 HA LYS 18 HA LYS 18 26.432 45.979 16.857 128 HB2 LYS 18 HB2 LYS 18 25.832 43.214 15.712 129 HB3 LYS 18 HB3 LYS 18 25.078 44.728 15.188 130 HG2 LYS 18 HG2 LYS 18 27.270 45.513 14.340 131 HG3 LYS 18 HG3 LYS 18 28.037 44.000 14.854 132 HD2 LYS 18 HD2 LYS 18 26.404 42.749 13.447 133 HD3 LYS 18 HD3 LYS 18 25.720 44.281 12.861 134 HE2 LYS 18 HE2 LYS 18 27.920 44.869 11.881 135 HE3 LYS 18 HE3 LYS 18 28.610 43.345 12.477 136 HZ1 LYS 18 HZ1 LYS 18 27.014 42.150 11.107 137 HZ2 LYS 18 HZ2 LYS 18 26.348 43.539 10.603 138 HZ3 LYS 18 HZ3 LYS 18 27.885 43.217 10.142 139 H LEU 19 H LEU 19 24.094 46.220 16.966 140 HA LEU 19 HA LEU 19 22.740 44.406 18.952 141 HB2 LEU 19 HB2 LEU 19 21.977 47.243 18.226 142 HB3 LEU 19 HB3 LEU 19 21.194 46.218 19.400 143 HG LEU 19 HG LEU 19 24.013 47.366 19.577 144 HD11 LEU 19 HD11 LEU 19 23.079 48.665 21.441 145 HD12 LEU 19 HD12 LEU 19 22.180 48.969 19.951 146 HD13 LEU 19 HD13 LEU 19 21.485 47.912 21.198 147 HD21 LEU 19 HD21 LEU 19 23.995 45.180 20.719 148 HD22 LEU 19 HD22 LEU 19 24.043 46.493 21.896 149 HD23 LEU 19 HD23 LEU 19 22.516 45.630 21.602 150 H GLY 20 H GLY 20 20.540 43.864 18.495 151 HA2 GLY 20 HA2 GLY 20 18.729 43.253 17.207 152 HA3 GLY 20 HA3 GLY 20 19.324 44.301 15.914 153 H ASP 21 H ASP 21 21.922 42.752 15.718 154 HA ASP 21 HA ASP 21 21.018 40.651 13.924 155 HB2 ASP 21 HB2 ASP 21 23.781 41.581 14.726 156 HB3 ASP 21 HB3 ASP 21 23.483 40.227 13.629 157 H ASN 22 H ASN 22 19.801 39.644 15.743 158 HA ASN 22 HA ASN 22 21.026 38.203 17.827 159 HB2 ASN 22 HB2 ASN 22 18.841 37.229 18.118 160 HB3 ASN 22 HB3 ASN 22 18.598 38.887 17.617 161 HD21 ASN 22 HD21 ASN 22 16.969 35.962 15.437 162 HD22 ASN 22 HD22 ASN 22 17.398 35.845 17.144 163 H ASP 23 H ASP 23 20.857 37.285 14.488 164 HA ASP 23 HA ASP 23 20.471 34.576 14.426 165 HB2 ASP 23 HB2 ASP 23 20.743 36.094 12.492 166 HB3 ASP 23 HB3 ASP 23 22.471 36.205 12.787 167 H TYR 24 H TYR 24 23.739 36.050 14.941 168 HA TYR 24 HA TYR 24 25.193 33.634 15.301 169 HB2 TYR 24 HB2 TYR 24 26.288 35.748 14.961 170 HB3 TYR 24 HB3 TYR 24 25.551 36.430 16.402 171 HD1 TYR 24 HD1 TYR 24 26.905 36.629 18.287 172 HD2 TYR 24 HD2 TYR 24 27.677 33.435 15.489 173 HE1 TYR 24 HE1 TYR 24 28.861 35.911 19.643 174 HE2 TYR 24 HE2 TYR 24 29.635 32.723 16.843 175 HH TYR 24 HH TYR 24 30.786 33.004 18.816 176 H CYS 25 H CYS 25 23.458 35.601 17.761 177 HA CYS 25 HA CYS 25 24.317 33.906 19.954 178 HB2 CYS 25 HB2 CYS 25 22.022 35.881 19.802 179 HB3 CYS 25 HB3 CYS 25 22.683 35.164 21.273 180 H VAL 26 H VAL 26 21.469 33.849 17.765 181 HA VAL 26 HA VAL 26 20.063 31.757 19.200 182 HB VAL 26 HB VAL 26 20.060 32.410 16.228 183 HG11 VAL 26 HG11 VAL 26 19.328 30.093 16.512 184 HG12 VAL 26 HG12 VAL 26 18.254 30.562 17.846 185 HG13 VAL 26 HG13 VAL 26 17.923 31.108 16.193 186 HG21 VAL 26 HG21 VAL 26 19.135 34.215 17.650 187 HG22 VAL 26 HG22 VAL 26 17.882 33.431 16.683 188 HG23 VAL 26 HG23 VAL 26 18.030 33.042 18.408 189 H ARG 27 H ARG 27 22.411 31.604 16.463 190 HA ARG 27 HA ARG 27 22.527 28.798 16.221 191 HB2 ARG 27 HB2 ARG 27 24.661 30.941 15.780 192 HB3 ARG 27 HB3 ARG 27 24.830 29.286 15.230 193 HG2 ARG 27 HG2 ARG 27 23.177 29.496 13.558 194 HG3 ARG 27 HG3 ARG 27 22.496 30.965 14.277 195 HD2 ARG 27 HD2 ARG 27 24.644 32.157 13.857 196 HD3 ARG 27 HD3 ARG 27 25.297 30.715 13.095 197 HE ARG 27 HE ARG 27 22.981 32.359 12.079 198 HH11 ARG 27 HH11 ARG 27 25.488 30.018 11.252 199 HH12 ARG 27 HH12 ARG 27 25.406 30.489 9.554 200 HH21 ARG 27 HH21 ARG 27 23.111 32.947 10.003 201 HH22 ARG 27 HH22 ARG 27 24.067 31.963 8.870 202 H GLU 28 H GLU 28 24.588 30.875 18.270 203 HA GLU 28 HA GLU 28 26.028 28.601 19.368 204 HB2 GLU 28 HB2 GLU 28 25.759 31.486 20.210 205 HB3 GLU 28 HB3 GLU 28 26.847 30.347 21.017 206 HG2 GLU 28 HG2 GLU 28 27.009 31.229 18.102 207 HG3 GLU 28 HG3 GLU 28 28.002 31.835 19.428 208 H CYS 29 H CYS 29 23.106 30.405 20.463 209 HA CYS 29 HA CYS 29 23.142 29.301 23.131 210 HB2 CYS 29 HB2 CYS 29 21.978 31.403 22.582 211 HB3 CYS 29 HB3 CYS 29 20.851 30.510 21.559 212 H ARG 30 H ARG 30 21.435 28.296 20.127 213 HA ARG 30 HA ARG 30 20.116 26.014 21.344 214 HB2 ARG 30 HB2 ARG 30 19.483 25.452 19.125 215 HB3 ARG 30 HB3 ARG 30 19.424 27.210 19.266 216 HG2 ARG 30 HG2 ARG 30 21.691 27.317 18.198 217 HG3 ARG 30 HG3 ARG 30 21.626 25.570 17.930 218 HD2 ARG 30 HD2 ARG 30 19.499 27.492 16.928 219 HD3 ARG 30 HD3 ARG 30 20.936 27.074 15.979 220 HE ARG 30 HE ARG 30 19.799 24.635 16.828 221 HH11 ARG 30 HH11 ARG 30 18.843 27.178 14.529 222 HH12 ARG 30 HH12 ARG 30 17.855 25.983 13.676 223 HH21 ARG 30 HH21 ARG 30 18.748 23.329 15.535 224 HH22 ARG 30 HH22 ARG 30 17.888 23.975 14.123 225 H LEU 31 H LEU 31 23.361 26.485 20.799 226 HA LEU 31 HA LEU 31 23.878 23.541 20.850 227 HB2 LEU 31 HB2 LEU 31 25.693 25.855 20.110 228 HB3 LEU 31 HB3 LEU 31 26.228 24.183 20.265 229 HG LEU 31 HG LEU 31 24.045 25.074 18.321 230 HD11 LEU 31 HD11 LEU 31 26.984 24.532 17.780 231 HD12 LEU 31 HD12 LEU 31 25.738 24.844 16.563 232 HD13 LEU 31 HD13 LEU 31 26.183 26.116 17.713 233 HD21 LEU 31 HD21 LEU 31 23.913 22.691 18.861 234 HD22 LEU 31 HD22 LEU 31 24.554 22.892 17.230 235 HD23 LEU 31 HD23 LEU 31 25.654 22.493 18.563 236 H ARG 32 H ARG 32 24.303 26.489 22.796 237 HA ARG 32 HA ARG 32 25.766 25.244 24.986 238 HB2 ARG 32 HB2 ARG 32 25.437 27.732 24.552 239 HB3 ARG 32 HB3 ARG 32 23.777 27.567 25.046 240 HG2 ARG 32 HG2 ARG 32 24.895 28.349 26.978 241 HG3 ARG 32 HG3 ARG 32 24.608 26.652 27.294 242 HD2 ARG 32 HD2 ARG 32 26.850 27.229 27.997 243 HD3 ARG 32 HD3 ARG 32 26.964 26.152 26.617 244 HE ARG 32 HE ARG 32 27.375 29.129 26.620 245 HH11 ARG 32 HH11 ARG 32 28.205 26.128 24.933 246 HH12 ARG 32 HH12 ARG 32 28.443 27.013 23.431 247 HH21 ARG 32 HH21 ARG 32 28.284 30.104 24.968 248 HH22 ARG 32 HH22 ARG 32 28.876 29.181 23.588 249 H TYR 33 H TYR 33 22.332 25.956 24.463 250 HA TYR 33 HA TYR 33 21.485 23.961 26.503 251 HB2 TYR 33 HB2 TYR 33 20.011 26.306 25.246 252 HB3 TYR 33 HB3 TYR 33 19.337 25.196 26.455 253 HD1 TYR 33 HD1 TYR 33 21.467 28.127 25.916 254 HD2 TYR 33 HD2 TYR 33 20.288 25.138 28.771 255 HE1 TYR 33 HE1 TYR 33 22.473 29.484 27.757 256 HE2 TYR 33 HE2 TYR 33 21.277 26.499 30.612 257 HH TYR 33 HH TYR 33 23.341 29.192 30.012 258 H TYR 34 H TYR 34 19.096 23.201 25.659 259 HA TYR 34 HA TYR 34 19.484 21.352 23.545 260 HB2 TYR 34 HB2 TYR 34 16.970 21.129 23.739 261 HB3 TYR 34 HB3 TYR 34 17.894 20.905 25.209 262 HD1 TYR 34 HD1 TYR 34 17.615 22.295 27.149 263 HD2 TYR 34 HD2 TYR 34 15.724 23.301 23.422 264 HE1 TYR 34 HE1 TYR 34 16.291 24.073 28.289 265 HE2 TYR 34 HE2 TYR 34 14.390 25.057 24.560 266 HH TYR 34 HH TYR 34 13.943 26.077 26.487 267 H GLN 35 H GLN 35 18.396 21.188 21.486 268 HA GLN 35 HA GLN 35 19.094 23.349 19.834 269 HB2 GLN 35 HB2 GLN 35 17.572 20.782 19.421 270 HB3 GLN 35 HB3 GLN 35 17.711 21.917 18.093 271 HG2 GLN 35 HG2 GLN 35 20.156 20.912 19.618 272 HG3 GLN 35 HG3 GLN 35 19.483 20.062 18.236 273 HE21 GLN 35 HE21 GLN 35 22.144 22.297 16.896 274 HE22 GLN 35 HE22 GLN 35 22.167 21.032 18.131 275 H SER 36 H SER 36 15.966 22.920 21.365 276 HA SER 36 HA SER 36 14.585 24.830 19.636 277 HB2 SER 36 HB2 SER 36 13.835 23.772 22.384 278 HB3 SER 36 HB3 SER 36 12.793 24.669 21.282 279 HG SER 36 HG SER 36 12.449 22.951 20.178 280 H ALA 37 H ALA 37 17.012 25.416 21.996 281 HA ALA 37 HA ALA 37 15.839 27.774 23.190 282 HB1 ALA 37 HB1 ALA 37 18.751 26.922 22.950 283 HB2 ALA 37 HB2 ALA 37 18.101 28.157 24.045 284 HB3 ALA 37 HB3 ALA 37 17.627 26.459 24.249 285 H HIS 38 H HIS 38 16.619 29.967 22.981 286 HA HIS 38 HA HIS 38 17.729 30.834 20.365 287 HB2 HIS 38 HB2 HIS 38 15.082 31.779 21.544 288 HB3 HIS 38 HB3 HIS 38 15.934 32.593 20.235 289 HD2 HIS 38 HD2 HIS 38 13.579 29.701 20.868 290 HE1 HIS 38 HE1 HIS 38 14.704 29.387 16.777 291 HE2 HIS 38 HE2 HIS 38 13.098 28.540 18.564 292 H GLY 39 H GLY 39 18.362 33.192 20.424 293 HA2 GLY 39 HA2 GLY 39 18.378 34.620 22.922 294 HA3 GLY 39 HA3 GLY 39 19.975 33.940 22.577 295 H TYR 40 H TYR 40 19.936 36.576 22.813 296 HA TYR 40 HA TYR 40 20.348 37.618 20.072 297 HB2 TYR 40 HB2 TYR 40 18.926 39.468 20.298 298 HB3 TYR 40 HB3 TYR 40 17.997 38.061 20.681 299 HD1 TYR 40 HD1 TYR 40 17.354 37.599 23.107 300 HD2 TYR 40 HD2 TYR 40 19.147 41.301 21.842 301 HE1 TYR 40 HE1 TYR 40 16.445 38.736 25.126 302 HE2 TYR 40 HE2 TYR 40 18.239 42.430 23.860 303 HH TYR 40 HH TYR 40 16.274 40.699 26.308 304 H CYS 41 H CYS 41 21.171 39.956 20.162 305 HA CYS 41 HA CYS 41 23.626 39.865 21.815 306 HB2 CYS 41 HB2 CYS 41 22.804 41.681 19.509 307 HB3 CYS 41 HB3 CYS 41 24.336 41.763 20.365 308 H TYR 42 H TYR 42 22.040 40.216 23.731 309 HA TYR 42 HA TYR 42 20.885 42.818 24.262 310 HB2 TYR 42 HB2 TYR 42 20.125 40.892 25.507 311 HB3 TYR 42 HB3 TYR 42 21.758 40.491 25.982 312 HD1 TYR 42 HD1 TYR 42 19.505 43.531 26.290 313 HD2 TYR 42 HD2 TYR 42 22.248 40.800 28.224 314 HE1 TYR 42 HE1 TYR 42 19.293 44.804 28.414 315 HE2 TYR 42 HE2 TYR 42 22.041 42.086 30.338 316 HH TYR 42 HH TYR 42 20.113 45.101 30.522 317 H ALA 43 H ALA 43 22.031 44.675 24.419 318 HA ALA 43 HA ALA 43 23.785 46.113 24.734 319 HB1 ALA 43 HB1 ALA 43 22.809 45.978 26.947 320 HB2 ALA 43 HB2 ALA 43 23.825 44.584 27.355 321 HB3 ALA 43 HB3 ALA 43 24.565 46.184 27.087 322 H PHE 44 H PHE 44 24.657 44.453 22.977 323 HA PHE 44 HA PHE 44 26.449 43.785 21.853 324 HB2 PHE 44 HB2 PHE 44 28.199 45.133 23.902 325 HB3 PHE 44 HB3 PHE 44 28.546 44.829 22.211 326 HD1 PHE 44 HD1 PHE 44 26.895 47.072 24.587 327 HD2 PHE 44 HD2 PHE 44 27.349 46.077 20.415 328 HE1 PHE 44 HE1 PHE 44 25.830 49.232 23.955 329 HE2 PHE 44 HE2 PHE 44 26.338 48.256 19.792 330 HZ PHE 44 HZ PHE 44 25.556 49.826 21.555 331 H ALA 45 H ALA 45 25.607 41.974 24.277 332 HA ALA 45 HA ALA 45 27.571 39.946 23.454 333 HB1 ALA 45 HB1 ALA 45 28.586 40.942 25.483 334 HB2 ALA 45 HB2 ALA 45 27.118 40.565 26.402 335 HB3 ALA 45 HB3 ALA 45 28.122 39.258 25.735 336 H CYS 46 H CYS 46 26.908 37.725 23.853 337 HA CYS 46 HA CYS 46 24.133 37.583 23.122 338 HB2 CYS 46 HB2 CYS 46 26.222 35.447 23.524 339 HB3 CYS 46 HB3 CYS 46 24.562 35.116 23.010 340 H TRP 47 H TRP 47 22.372 37.091 24.096 341 HA TRP 47 HA TRP 47 22.309 35.893 26.840 342 HB2 TRP 47 HB2 TRP 47 22.154 38.330 26.872 343 HB3 TRP 47 HB3 TRP 47 20.873 38.297 25.663 344 HD1 TRP 47 HD1 TRP 47 18.458 37.933 26.456 345 HE1 TRP 47 HE1 TRP 47 17.292 37.760 28.749 346 HE3 TRP 47 HE3 TRP 47 22.592 37.440 29.434 347 HZ2 TRP 47 HZ2 TRP 47 18.066 37.475 31.495 348 HZ3 TRP 47 HZ3 TRP 47 22.329 37.163 31.891 349 HH2 TRP 47 HH2 TRP 47 20.074 37.200 32.932 350 H CYS 48 H CYS 48 21.006 34.164 26.966 351 HA CYS 48 HA CYS 48 19.338 33.313 24.703 352 HB2 CYS 48 HB2 CYS 48 20.142 32.063 27.331 353 HB3 CYS 48 HB3 CYS 48 19.038 31.299 26.199 354 H THR 49 H THR 49 17.153 32.772 24.862 355 HA THR 49 HA THR 49 15.564 33.911 27.116 356 HB THR 49 HB THR 49 13.945 34.800 25.494 357 HG1 THR 49 HG1 THR 49 14.495 33.457 23.749 358 HG21 THR 49 HG21 THR 49 16.732 35.886 24.924 359 HG22 THR 49 HG22 THR 49 15.179 36.726 24.719 360 HG23 THR 49 HG23 THR 49 15.745 36.296 26.345 361 H HIS 50 H HIS 50 13.357 33.124 27.240 362 HA HIS 50 HA HIS 50 11.794 31.534 27.393 363 HB2 HIS 50 HB2 HIS 50 12.613 30.332 24.765 364 HB3 HIS 50 HB3 HIS 50 11.005 30.504 25.454 365 HD2 HIS 50 HD2 HIS 50 12.731 31.752 22.634 366 HE1 HIS 50 HE1 HIS 50 10.667 35.250 23.936 367 HE2 HIS 50 HE2 HIS 50 11.905 34.189 21.993 368 H LEU 51 H LEU 51 14.604 30.763 28.305 369 HA LEU 51 HA LEU 51 14.884 27.904 27.915 370 HB2 LEU 51 HB2 LEU 51 16.174 29.748 29.953 371 HB3 LEU 51 HB3 LEU 51 16.673 28.104 29.601 372 HG LEU 51 HG LEU 51 16.896 30.460 27.683 373 HD11 LEU 51 HD11 LEU 51 18.895 28.900 29.376 374 HD12 LEU 51 HD12 LEU 51 19.358 30.027 28.108 375 HD13 LEU 51 HD13 LEU 51 18.464 30.625 29.519 376 HD21 LEU 51 HD21 LEU 51 18.277 28.900 26.328 377 HD22 LEU 51 HD22 LEU 51 17.829 27.565 27.408 378 HD23 LEU 51 HD23 LEU 51 16.590 28.372 26.416 379 H TYR 52 H TYR 52 14.945 26.333 29.622 380 HA TYR 52 HA TYR 52 12.801 26.194 31.480 381 HB2 TYR 52 HB2 TYR 52 14.137 24.298 32.433 382 HB3 TYR 52 HB3 TYR 52 13.812 24.218 30.740 383 HD1 TYR 52 HD1 TYR 52 15.425 22.383 30.707 384 HD2 TYR 52 HD2 TYR 52 16.679 26.431 31.584 385 HE1 TYR 52 HE1 TYR 52 17.802 21.747 30.324 386 HE2 TYR 52 HE2 TYR 52 19.030 25.775 31.230 387 HH TYR 52 HH TYR 52 20.049 22.825 29.846 388 H GLU 53 H GLU 53 13.164 25.793 33.925 389 HA GLU 53 HA GLU 53 14.183 28.163 35.154 390 HB2 GLU 53 HB2 GLU 53 13.497 25.498 36.388 391 HB3 GLU 53 HB3 GLU 53 13.801 26.968 37.293 392 HG2 GLU 53 HG2 GLU 53 11.542 26.587 35.280 393 HG3 GLU 53 HG3 GLU 53 11.397 26.408 37.040 394 H GLN 54 H GLN 54 15.960 25.377 34.105 395 HA GLN 54 HA GLN 54 18.181 25.789 35.979 396 HB2 GLN 54 HB2 GLN 54 17.964 23.945 33.571 397 HB3 GLN 54 HB3 GLN 54 19.249 23.967 34.744 398 HG2 GLN 54 HG2 GLN 54 18.041 22.277 35.602 399 HG3 GLN 54 HG3 GLN 54 17.339 23.608 36.517 400 HE21 GLN 54 HE21 GLN 54 14.109 22.745 35.266 401 HE22 GLN 54 HE22 GLN 54 15.060 23.696 36.418 402 H ALA 55 H ALA 55 17.458 27.990 33.927 403 HA ALA 55 HA ALA 55 19.661 28.274 32.110 404 HB1 ALA 55 HB1 ALA 55 17.501 29.442 31.887 405 HB2 ALA 55 HB2 ALA 55 17.830 30.359 33.374 406 HB3 ALA 55 HB3 ALA 55 18.845 30.603 31.939 407 H VAL 56 H VAL 56 21.477 29.773 32.189 408 HA VAL 56 HA VAL 56 22.563 30.262 34.943 409 HB VAL 56 HB VAL 56 24.022 29.517 32.385 410 HG11 VAL 56 HG11 VAL 56 25.104 30.031 35.186 411 HG12 VAL 56 HG12 VAL 56 26.021 29.318 33.847 412 HG13 VAL 56 HG13 VAL 56 25.453 30.977 33.718 413 HG21 VAL 56 HG21 VAL 56 24.596 27.443 33.648 414 HG22 VAL 56 HG22 VAL 56 23.542 27.964 34.980 415 HG23 VAL 56 HG23 VAL 56 22.863 27.584 33.382 416 H VAL 57 H VAL 57 23.151 32.282 35.504 417 HA VAL 57 HA VAL 57 23.217 34.441 33.440 418 HB VAL 57 HB VAL 57 23.131 35.996 35.336 419 HG11 VAL 57 HG11 VAL 57 20.818 34.028 35.201 420 HG12 VAL 57 HG12 VAL 57 20.753 35.702 35.778 421 HG13 VAL 57 HG13 VAL 57 21.122 35.368 34.082 422 HG21 VAL 57 HG21 VAL 57 23.985 34.335 37.114 423 HG22 VAL 57 HG22 VAL 57 22.567 35.296 37.565 424 HG23 VAL 57 HG23 VAL 57 22.379 33.604 37.086 425 H TRP 58 H TRP 58 24.849 36.358 34.131 426 HA TRP 58 HA TRP 58 27.324 35.114 33.363 427 HB2 TRP 58 HB2 TRP 58 28.151 37.325 32.988 428 HB3 TRP 58 HB3 TRP 58 26.513 37.216 32.369 429 HD1 TRP 58 HD1 TRP 58 28.626 39.068 34.877 430 HE1 TRP 58 HE1 TRP 58 27.262 40.876 36.051 431 HE3 TRP 58 HE3 TRP 58 24.001 37.928 33.027 432 HZ2 TRP 58 HZ2 TRP 58 24.453 41.408 36.538 433 HZ3 TRP 58 HZ3 TRP 58 21.967 39.071 33.910 434 HH2 TRP 58 HH2 TRP 58 22.186 40.793 35.683 435 HA PRO 59 HA PRO 59 29.170 36.529 37.477 436 HB2 PRO 59 HB2 PRO 59 27.035 35.978 39.501 437 HB3 PRO 59 HB3 PRO 59 28.225 37.310 39.427 438 HG2 PRO 59 HG2 PRO 59 25.616 37.733 38.792 439 HG3 PRO 59 HG3 PRO 59 26.924 38.492 37.818 440 HD2 PRO 59 HD2 PRO 59 25.435 35.904 37.271 441 HD3 PRO 59 HD3 PRO 59 25.648 37.295 36.187 442 H LEU 60 H LEU 60 30.531 34.864 37.708 443 HA LEU 60 HA LEU 60 29.521 32.150 38.450 444 HB2 LEU 60 HB2 LEU 60 32.047 33.176 37.147 445 HB3 LEU 60 HB3 LEU 60 32.073 31.650 38.018 446 HG LEU 60 HG LEU 60 31.871 31.267 35.679 447 HD11 LEU 60 HD11 LEU 60 29.203 30.554 36.976 448 HD12 LEU 60 HD12 LEU 60 30.012 29.735 35.633 449 HD13 LEU 60 HD13 LEU 60 30.743 29.699 37.235 450 HD21 LEU 60 HD21 LEU 60 29.929 31.860 34.342 451 HD22 LEU 60 HD22 LEU 60 29.182 32.707 35.705 452 HD23 LEU 60 HD23 LEU 60 30.683 33.328 34.983 453 HA PRO 61 HA PRO 61 30.851 33.169 42.568 454 HB2 PRO 61 HB2 PRO 61 30.815 30.696 43.773 455 HB3 PRO 61 HB3 PRO 61 29.362 31.637 43.378 456 HG2 PRO 61 HG2 PRO 61 30.631 29.385 41.795 457 HG3 PRO 61 HG3 PRO 61 28.902 29.648 42.187 458 HD2 PRO 61 HD2 PRO 61 29.931 30.359 39.777 459 HD3 PRO 61 HD3 PRO 61 28.661 31.345 40.583 460 H ASN 62 H ASN 62 32.692 30.789 40.679 461 HA ASN 62 HA ASN 62 35.179 31.696 42.046 462 HB2 ASN 62 HB2 ASN 62 34.858 29.694 43.175 463 HB3 ASN 62 HB3 ASN 62 34.060 28.915 41.815 464 HD21 ASN 62 HD21 ASN 62 36.951 27.249 40.851 465 HD22 ASN 62 HD22 ASN 62 35.217 27.202 41.142 466 H LYS 63 H LYS 63 33.889 30.031 39.095 467 HA LYS 63 HA LYS 63 36.305 30.177 37.589 468 HB2 LYS 63 HB2 LYS 63 33.398 29.788 36.975 469 HB3 LYS 63 HB3 LYS 63 34.403 30.337 35.650 470 HG2 LYS 63 HG2 LYS 63 34.217 27.929 35.613 471 HG3 LYS 63 HG3 LYS 63 35.896 28.423 35.873 472 HD2 LYS 63 HD2 LYS 63 35.693 27.907 38.275 473 HD3 LYS 63 HD3 LYS 63 33.989 27.464 38.050 474 HE2 LYS 63 HE2 LYS 63 34.570 25.605 36.622 475 HE3 LYS 63 HE3 LYS 63 36.270 26.105 36.561 476 HZ1 LYS 63 HZ1 LYS 63 36.511 25.606 38.870 477 HZ2 LYS 63 HZ2 LYS 63 34.917 25.311 39.078 478 HZ3 LYS 63 HZ3 LYS 63 35.837 24.287 38.182 479 H ARG 64 H ARG 64 37.321 31.659 36.349 480 HA ARG 64 HA ARG 64 36.134 34.220 35.544 481 HB2 ARG 64 HB2 ARG 64 36.696 34.468 37.982 482 HB3 ARG 64 HB3 ARG 64 38.390 34.276 37.587 483 HG2 ARG 64 HG2 ARG 64 38.409 36.299 36.255 484 HG3 ARG 64 HG3 ARG 64 36.656 36.390 36.244 485 HD2 ARG 64 HD2 ARG 64 38.414 36.750 38.699 486 HD3 ARG 64 HD3 ARG 64 37.633 38.047 37.781 487 HE ARG 64 HE ARG 64 35.580 36.270 38.498 488 HH11 ARG 64 HH11 ARG 64 37.677 38.491 40.286 489 HH12 ARG 64 HH12 ARG 64 36.707 38.293 41.737 490 HH21 ARG 64 HH21 ARG 64 34.446 36.177 40.251 491 HH22 ARG 64 HH22 ARG 64 34.843 37.085 41.703 492 H CYS 65 H CYS 65 36.837 34.158 33.445 493 HA CYS 65 HA CYS 65 39.389 32.943 32.683 494 HB2 CYS 65 HB2 CYS 65 37.242 34.383 31.087 495 HB3 CYS 65 HB3 CYS 65 38.740 33.774 30.397 496 H LYS 66 H LYS 66 41.140 33.900 31.628 497 HA LYS 66 HA LYS 66 41.718 36.752 32.259 498 HB2 LYS 66 HB2 LYS 66 43.926 36.354 31.358 499 HB3 LYS 66 HB3 LYS 66 43.558 35.186 32.619 500 HG2 LYS 66 HG2 LYS 66 43.395 33.386 31.109 501 HG3 LYS 66 HG3 LYS 66 43.118 34.438 29.712 502 HD2 LYS 66 HD2 LYS 66 45.460 35.272 29.899 503 HD3 LYS 66 HD3 LYS 66 45.758 34.083 31.186 504 HE2 LYS 66 HE2 LYS 66 45.339 32.238 29.685 505 HE3 LYS 66 HE3 LYS 66 44.630 33.304 28.469 506 HZ1 LYS 66 HZ1 LYS 66 47.503 33.243 29.217 507 HZ2 LYS 66 HZ2 LYS 66 46.843 32.719 27.805 508 HZ3 LYS 66 HZ3 LYS 66 46.836 34.319 28.181 509 HN1 NH2 67 HN1 NH2 67 42.287 38.314 30.564 510 HN2 NH2 67 HN2 NH2 67 41.629 38.089 28.955 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 13.016 30.726 31.404 2 H2 LYS 1 H2 LYS 1 12.383 32.242 31.290 3 H3 LYS 1 H3 LYS 1 12.217 31.397 32.676 4 HA LYS 1 HA LYS 1 13.904 33.023 33.017 5 HB2 LYS 1 HB2 LYS 1 14.160 30.878 34.116 6 HB3 LYS 1 HB3 LYS 1 14.995 30.207 32.712 7 HG2 LYS 1 HG2 LYS 1 16.927 31.598 33.086 8 HG3 LYS 1 HG3 LYS 1 16.078 32.579 34.283 9 HD2 LYS 1 HD2 LYS 1 15.855 30.557 35.748 10 HD3 LYS 1 HD3 LYS 1 16.794 29.626 34.560 11 HE2 LYS 1 HE2 LYS 1 18.722 31.121 34.902 12 HE3 LYS 1 HE3 LYS 1 17.784 32.102 36.043 13 HZ1 LYS 1 HZ1 LYS 1 17.631 30.185 37.504 14 HZ2 LYS 1 HZ2 LYS 1 18.459 29.238 36.451 15 HZ3 LYS 1 HZ3 LYS 1 19.212 30.497 37.184 16 H GLU 2 H GLU 2 15.306 34.424 32.137 17 HA GLU 2 HA GLU 2 16.446 33.913 29.421 18 HB2 GLU 2 HB2 GLU 2 16.178 36.327 31.225 19 HB3 GLU 2 HB3 GLU 2 17.421 36.272 29.982 20 HG2 GLU 2 HG2 GLU 2 15.449 37.408 29.130 21 HG3 GLU 2 HG3 GLU 2 15.806 35.957 28.222 22 H GLY 3 H GLY 3 18.806 34.115 29.046 23 HA2 GLY 3 HA2 GLY 3 20.398 33.212 31.421 24 HA3 GLY 3 HA3 GLY 3 20.291 32.200 30.002 25 H TYR 4 H TYR 4 22.466 33.508 31.488 26 HA TYR 4 HA TYR 4 23.866 35.346 29.656 27 HB2 TYR 4 HB2 TYR 4 23.904 35.530 32.114 28 HB3 TYR 4 HB3 TYR 4 24.600 33.933 32.242 29 HD1 TYR 4 HD1 TYR 4 25.306 37.419 31.004 30 HD2 TYR 4 HD2 TYR 4 26.917 33.649 32.346 31 HE1 TYR 4 HE1 TYR 4 27.519 38.489 31.347 32 HE2 TYR 4 HE2 TYR 4 29.141 34.715 32.656 33 HH TYR 4 HH TYR 4 29.677 38.228 32.146 34 H LEU 5 H LEU 5 24.646 34.433 27.806 35 HA LEU 5 HA LEU 5 25.333 31.615 27.709 36 HB2 LEU 5 HB2 LEU 5 24.215 32.721 25.807 37 HB3 LEU 5 HB3 LEU 5 25.659 33.704 25.541 38 HG LEU 5 HG LEU 5 26.984 31.577 25.183 39 HD11 LEU 5 HD11 LEU 5 25.717 29.500 24.662 40 HD12 LEU 5 HD12 LEU 5 25.626 29.934 26.370 41 HD13 LEU 5 HD13 LEU 5 24.243 30.260 25.306 42 HD21 LEU 5 HD21 LEU 5 26.111 32.812 23.259 43 HD22 LEU 5 HD22 LEU 5 26.135 31.075 22.966 44 HD23 LEU 5 HD23 LEU 5 24.593 31.879 23.339 45 H VAL 6 H VAL 6 27.130 30.845 28.549 46 HA VAL 6 HA VAL 6 29.751 31.950 27.765 47 HB VAL 6 HB VAL 6 29.254 33.096 29.848 48 HG11 VAL 6 HG11 VAL 6 27.697 31.500 30.923 49 HG12 VAL 6 HG12 VAL 6 29.043 30.370 31.195 50 HG13 VAL 6 HG13 VAL 6 29.031 31.955 31.990 51 HG21 VAL 6 HG21 VAL 6 31.602 32.346 29.356 52 HG22 VAL 6 HG22 VAL 6 31.252 32.567 31.076 53 HG23 VAL 6 HG23 VAL 6 31.328 30.937 30.393 54 H ASP 7 H ASP 7 31.300 30.444 27.453 55 HA ASP 7 HA ASP 7 30.658 27.589 27.704 56 HB2 ASP 7 HB2 ASP 7 32.028 28.484 25.841 57 HB3 ASP 7 HB3 ASP 7 33.235 29.057 26.996 58 H TYR 8 H TYR 8 30.180 27.543 29.911 59 HA TYR 8 HA TYR 8 31.429 28.693 32.016 60 HB2 TYR 8 HB2 TYR 8 30.144 26.974 33.398 61 HB3 TYR 8 HB3 TYR 8 29.303 27.982 32.242 62 HD1 TYR 8 HD1 TYR 8 30.579 24.505 32.759 63 HD2 TYR 8 HD2 TYR 8 28.004 27.101 30.461 64 HE1 TYR 8 HE1 TYR 8 29.499 22.523 31.721 65 HE2 TYR 8 HE2 TYR 8 26.924 25.118 29.436 66 HH TYR 8 HH TYR 8 26.821 22.845 29.340 67 H HIS 9 H HIS 9 33.096 26.388 30.457 68 HA HIS 9 HA HIS 9 34.755 25.391 32.705 69 HB2 HIS 9 HB2 HIS 9 34.600 24.207 30.515 70 HB3 HIS 9 HB3 HIS 9 35.306 25.609 29.717 71 HD2 HIS 9 HD2 HIS 9 37.906 25.579 29.494 72 HE1 HIS 9 HE1 HIS 9 38.851 22.618 32.406 73 HE2 HIS 9 HE2 HIS 9 39.807 24.146 30.627 74 H THR 10 H THR 10 34.293 28.316 31.048 75 HA THR 10 HA THR 10 36.716 29.681 32.098 76 HB THR 10 HB THR 10 36.889 30.944 30.052 77 HG1 THR 10 HG1 THR 10 34.571 29.537 29.329 78 HG21 THR 10 HG21 THR 10 36.712 28.020 29.219 79 HG22 THR 10 HG22 THR 10 37.683 29.308 28.478 80 HG23 THR 10 HG23 THR 10 38.078 28.734 30.107 81 H GLY 11 H GLY 11 36.346 31.954 32.576 82 HA2 GLY 11 HA2 GLY 11 33.582 32.542 33.366 83 HA3 GLY 11 HA3 GLY 11 35.005 33.522 33.669 84 H CYS 12 H CYS 12 35.478 33.465 30.552 85 HA CYS 12 HA CYS 12 34.182 36.047 30.175 86 HB2 CYS 12 HB2 CYS 12 36.191 34.433 28.576 87 HB3 CYS 12 HB3 CYS 12 35.427 35.878 27.942 88 H LYS 13 H LYS 13 32.094 36.153 29.586 89 HA LYS 13 HA LYS 13 30.626 34.150 28.165 90 HB2 LYS 13 HB2 LYS 13 28.768 35.449 28.521 91 HB3 LYS 13 HB3 LYS 13 29.804 35.905 29.848 92 HG2 LYS 13 HG2 LYS 13 29.379 37.480 27.271 93 HG3 LYS 13 HG3 LYS 13 28.601 37.821 28.815 94 HD2 LYS 13 HD2 LYS 13 30.635 38.541 29.824 95 HD3 LYS 13 HD3 LYS 13 31.602 37.803 28.546 96 HE2 LYS 13 HE2 LYS 13 30.626 39.355 26.896 97 HE3 LYS 13 HE3 LYS 13 29.911 40.276 28.249 98 HZ1 LYS 13 HZ1 LYS 13 32.795 39.604 27.960 99 HZ2 LYS 13 HZ2 LYS 13 32.195 41.068 27.569 100 HZ3 LYS 13 HZ3 LYS 13 32.148 40.555 29.137 101 H TYR 14 H TYR 14 29.275 34.544 26.234 102 HA TYR 14 HA TYR 14 30.953 34.923 23.921 103 HB2 TYR 14 HB2 TYR 14 28.035 34.342 24.401 104 HB3 TYR 14 HB3 TYR 14 28.573 34.818 22.801 105 HD1 TYR 14 HD1 TYR 14 29.479 32.347 25.516 106 HD2 TYR 14 HD2 TYR 14 29.368 33.245 21.298 107 HE1 TYR 14 HE1 TYR 14 30.269 30.046 25.001 108 HE2 TYR 14 HE2 TYR 14 30.146 30.959 20.795 109 HH TYR 14 HH TYR 14 30.885 28.977 21.647 110 H THR 15 H THR 15 31.589 36.765 23.061 111 HA THR 15 HA THR 15 30.232 39.329 23.467 112 HB THR 15 HB THR 15 32.046 40.245 22.075 113 HG1 THR 15 HG1 THR 15 32.977 37.561 22.007 114 HG21 THR 15 HG21 THR 15 33.112 38.352 24.202 115 HG22 THR 15 HG22 THR 15 33.891 39.819 23.583 116 HG23 THR 15 HG23 THR 15 32.392 39.948 24.517 117 H CYS 16 H CYS 16 29.563 40.760 21.805 118 HA CYS 16 HA CYS 16 28.978 39.645 19.107 119 HB2 CYS 16 HB2 CYS 16 27.118 41.448 20.713 120 HB3 CYS 16 HB3 CYS 16 26.921 40.981 19.036 121 H ALA 17 H ALA 17 29.263 41.190 17.423 122 HA ALA 17 HA ALA 17 30.787 43.627 18.086 123 HB1 ALA 17 HB1 ALA 17 29.917 42.401 15.438 124 HB2 ALA 17 HB2 ALA 17 30.986 43.813 15.638 125 HB3 ALA 17 HB3 ALA 17 31.501 42.225 16.228 126 H LYS 18 H LYS 18 27.573 42.711 16.902 127 HA LYS 18 HA LYS 18 26.644 45.578 16.875 128 HB2 LYS 18 HB2 LYS 18 25.930 43.135 15.225 129 HB3 LYS 18 HB3 LYS 18 24.802 44.464 15.402 130 HG2 LYS 18 HG2 LYS 18 25.995 44.642 13.328 131 HG3 LYS 18 HG3 LYS 18 26.357 46.025 14.365 132 HD2 LYS 18 HD2 LYS 18 28.565 45.149 14.859 133 HD3 LYS 18 HD3 LYS 18 28.182 43.603 14.040 134 HE2 LYS 18 HE2 LYS 18 28.058 44.736 11.884 135 HE3 LYS 18 HE3 LYS 18 28.144 46.326 12.660 136 HZ1 LYS 18 HZ1 LYS 18 30.420 45.716 13.419 137 HZ2 LYS 18 HZ2 LYS 18 30.376 44.359 12.492 138 HZ3 LYS 18 HZ3 LYS 18 30.277 45.839 11.807 139 H LEU 19 H LEU 19 24.597 46.077 17.679 140 HA LEU 19 HA LEU 19 23.537 44.289 19.804 141 HB2 LEU 19 HB2 LEU 19 22.808 47.134 19.003 142 HB3 LEU 19 HB3 LEU 19 22.088 46.240 20.339 143 HG LEU 19 HG LEU 19 24.983 47.147 20.129 144 HD11 LEU 19 HD11 LEU 19 22.700 47.972 21.973 145 HD12 LEU 19 HD12 LEU 19 24.365 48.593 22.031 146 HD13 LEU 19 HD13 LEU 19 23.350 48.926 20.621 147 HD21 LEU 19 HD21 LEU 19 23.579 45.580 22.336 148 HD22 LEU 19 HD22 LEU 19 24.972 45.047 21.360 149 HD23 LEU 19 HD23 LEU 19 25.156 46.382 22.503 150 H GLY 20 H GLY 20 21.359 43.649 19.900 151 HA2 GLY 20 HA2 GLY 20 19.217 43.170 19.179 152 HA3 GLY 20 HA3 GLY 20 19.459 44.231 17.790 153 H ASP 21 H ASP 21 21.821 42.693 16.807 154 HA ASP 21 HA ASP 21 20.646 40.767 15.146 155 HB2 ASP 21 HB2 ASP 21 23.517 41.131 16.071 156 HB3 ASP 21 HB3 ASP 21 23.039 39.884 14.925 157 H ASN 22 H ASN 22 20.516 38.549 15.081 158 HA ASN 22 HA ASN 22 20.873 37.100 17.650 159 HB2 ASN 22 HB2 ASN 22 18.479 36.166 17.188 160 HB3 ASN 22 HB3 ASN 22 18.764 37.661 18.038 161 HD21 ASN 22 HD21 ASN 22 16.075 38.791 16.129 162 HD22 ASN 22 HD22 ASN 22 16.535 38.114 17.684 163 H ASP 23 H ASP 23 20.966 36.730 14.140 164 HA ASP 23 HA ASP 23 20.523 33.977 13.960 165 HB2 ASP 23 HB2 ASP 23 20.848 35.418 12.037 166 HB3 ASP 23 HB3 ASP 23 22.528 35.716 12.474 167 H TYR 24 H TYR 24 23.644 35.536 14.724 168 HA TYR 24 HA TYR 24 25.157 33.100 15.140 169 HB2 TYR 24 HB2 TYR 24 26.431 34.943 14.554 170 HB3 TYR 24 HB3 TYR 24 25.510 36.049 15.538 171 HD1 TYR 24 HD1 TYR 24 26.029 36.589 17.788 172 HD2 TYR 24 HD2 TYR 24 28.277 33.617 15.629 173 HE1 TYR 24 HE1 TYR 24 27.846 36.746 19.469 174 HE2 TYR 24 HE2 TYR 24 30.105 33.774 17.311 175 HH TYR 24 HH TYR 24 30.031 36.220 19.907 176 H CYS 25 H CYS 25 23.631 35.414 17.454 177 HA CYS 25 HA CYS 25 24.448 33.998 19.788 178 HB2 CYS 25 HB2 CYS 25 23.836 36.326 19.796 179 HB3 CYS 25 HB3 CYS 25 22.209 35.962 19.240 180 H VAL 26 H VAL 26 21.406 33.692 17.886 181 HA VAL 26 HA VAL 26 20.131 31.704 19.508 182 HB VAL 26 HB VAL 26 19.997 32.310 16.528 183 HG11 VAL 26 HG11 VAL 26 19.296 30.003 16.705 184 HG12 VAL 26 HG12 VAL 26 18.290 30.356 18.130 185 HG13 VAL 26 HG13 VAL 26 17.859 31.001 16.531 186 HG21 VAL 26 HG21 VAL 26 17.901 33.369 17.050 187 HG22 VAL 26 HG22 VAL 26 17.937 32.773 18.721 188 HG23 VAL 26 HG23 VAL 26 19.082 34.008 18.194 189 H ARG 27 H ARG 27 22.399 31.335 16.701 190 HA ARG 27 HA ARG 27 22.440 28.519 16.605 191 HB2 ARG 27 HB2 ARG 27 23.219 30.269 14.963 192 HB3 ARG 27 HB3 ARG 27 24.628 30.542 15.981 193 HG2 ARG 27 HG2 ARG 27 25.203 28.060 15.590 194 HG3 ARG 27 HG3 ARG 27 23.865 28.061 14.414 195 HD2 ARG 27 HD2 ARG 27 25.731 28.615 13.108 196 HD3 ARG 27 HD3 ARG 27 24.977 30.169 13.402 197 HE ARG 27 HE ARG 27 27.133 29.290 15.265 198 HH11 ARG 27 HH11 ARG 27 26.400 31.450 12.533 199 HH12 ARG 27 HH12 ARG 27 27.921 32.244 12.716 200 HH21 ARG 27 HH21 ARG 27 28.799 30.592 15.628 201 HH22 ARG 27 HH22 ARG 27 29.233 31.830 14.457 202 H GLU 28 H GLU 28 24.736 30.718 18.310 203 HA GLU 28 HA GLU 28 26.183 28.502 19.520 204 HB2 GLU 28 HB2 GLU 28 26.044 31.410 20.346 205 HB3 GLU 28 HB3 GLU 28 27.230 30.240 20.920 206 HG2 GLU 28 HG2 GLU 28 26.958 31.268 18.062 207 HG3 GLU 28 HG3 GLU 28 28.208 31.697 19.220 208 H CYS 29 H CYS 29 23.377 30.444 20.666 209 HA CYS 29 HA CYS 29 23.378 29.377 23.328 210 HB2 CYS 29 HB2 CYS 29 22.180 31.439 22.653 211 HB3 CYS 29 HB3 CYS 29 21.095 30.477 21.651 212 H ARG 30 H ARG 30 21.539 28.365 20.384 213 HA ARG 30 HA ARG 30 20.334 26.078 21.685 214 HB2 ARG 30 HB2 ARG 30 19.250 25.696 19.687 215 HB3 ARG 30 HB3 ARG 30 19.496 27.433 19.671 216 HG2 ARG 30 HG2 ARG 30 21.559 27.017 18.230 217 HG3 ARG 30 HG3 ARG 30 21.062 25.330 18.096 218 HD2 ARG 30 HD2 ARG 30 19.388 27.736 17.267 219 HD3 ARG 30 HD3 ARG 30 20.383 26.787 16.171 220 HE ARG 30 HE ARG 30 17.971 25.772 17.660 221 HH11 ARG 30 HH11 ARG 30 20.020 25.460 14.813 222 HH12 ARG 30 HH12 ARG 30 18.813 24.520 13.968 223 HH21 ARG 30 HH21 ARG 30 16.689 24.368 16.710 224 HH22 ARG 30 HH22 ARG 30 17.053 23.721 15.120 225 H LEU 31 H LEU 31 23.494 26.450 20.377 226 HA LEU 31 HA LEU 31 23.943 23.516 20.367 227 HB2 LEU 31 HB2 LEU 31 25.712 25.924 19.840 228 HB3 LEU 31 HB3 LEU 31 26.340 24.276 19.889 229 HG LEU 31 HG LEU 31 24.123 25.145 17.984 230 HD11 LEU 31 HD11 LEU 31 26.217 26.391 17.539 231 HD12 LEU 31 HD12 LEU 31 27.108 24.853 17.458 232 HD13 LEU 31 HD13 LEU 31 25.853 25.229 16.254 233 HD21 LEU 31 HD21 LEU 31 24.199 22.710 18.378 234 HD22 LEU 31 HD22 LEU 31 24.751 23.107 16.760 235 HD23 LEU 31 HD23 LEU 31 25.941 22.697 18.015 236 H ARG 32 H ARG 32 24.105 26.104 22.690 237 HA ARG 32 HA ARG 32 25.773 24.536 24.563 238 HB2 ARG 32 HB2 ARG 32 25.725 27.124 24.351 239 HB3 ARG 32 HB3 ARG 32 24.175 27.065 25.158 240 HG2 ARG 32 HG2 ARG 32 25.982 27.558 26.735 241 HG3 ARG 32 HG3 ARG 32 25.193 26.041 27.146 242 HD2 ARG 32 HD2 ARG 32 27.667 25.972 27.378 243 HD3 ARG 32 HD3 ARG 32 27.054 24.751 26.263 244 HE ARG 32 HE ARG 32 27.710 26.952 24.641 245 HH11 ARG 32 HH11 ARG 32 29.499 24.552 26.488 246 HH12 ARG 32 HH12 ARG 32 31.034 25.274 26.013 247 HH21 ARG 32 HH21 ARG 32 29.591 27.426 23.742 248 HH22 ARG 32 HH22 ARG 32 30.990 26.439 24.089 249 H TYR 33 H TYR 33 22.409 25.564 24.239 250 HA TYR 33 HA TYR 33 21.496 23.645 26.331 251 HB2 TYR 33 HB2 TYR 33 20.133 25.973 24.912 252 HB3 TYR 33 HB3 TYR 33 19.359 24.948 26.113 253 HD1 TYR 33 HD1 TYR 33 21.515 27.830 25.654 254 HD2 TYR 33 HD2 TYR 33 20.256 24.793 28.442 255 HE1 TYR 33 HE1 TYR 33 22.346 29.221 27.549 256 HE2 TYR 33 HE2 TYR 33 21.091 26.191 30.338 257 HH TYR 33 HH TYR 33 22.913 29.144 29.775 258 H TYR 34 H TYR 34 18.847 23.543 25.106 259 HA TYR 34 HA TYR 34 19.120 21.386 23.159 260 HB2 TYR 34 HB2 TYR 34 16.512 21.680 23.337 261 HB3 TYR 34 HB3 TYR 34 17.425 20.963 24.639 262 HD1 TYR 34 HD1 TYR 34 15.854 24.179 23.552 263 HD2 TYR 34 HD2 TYR 34 17.494 21.903 26.819 264 HE1 TYR 34 HE1 TYR 34 14.990 25.866 25.164 265 HE2 TYR 34 HE2 TYR 34 16.640 23.600 28.427 266 HH TYR 34 HH TYR 34 14.464 26.126 27.405 267 H GLN 35 H GLN 35 18.035 21.387 21.126 268 HA GLN 35 HA GLN 35 18.764 23.578 19.515 269 HB2 GLN 35 HB2 GLN 35 17.805 22.345 17.664 270 HB3 GLN 35 HB3 GLN 35 18.726 21.338 18.740 271 HG2 GLN 35 HG2 GLN 35 16.926 19.987 18.234 272 HG3 GLN 35 HG3 GLN 35 16.480 20.613 19.810 273 HE21 GLN 35 HE21 GLN 35 13.382 20.926 17.942 274 HE22 GLN 35 HE22 GLN 35 14.342 19.740 18.842 275 H SER 36 H SER 36 15.685 23.145 21.154 276 HA SER 36 HA SER 36 14.277 25.151 19.580 277 HB2 SER 36 HB2 SER 36 12.531 24.858 21.342 278 HB3 SER 36 HB3 SER 36 13.000 23.366 20.519 279 HG SER 36 HG SER 36 12.866 23.564 23.012 280 H ALA 37 H ALA 37 16.826 25.667 21.677 281 HA ALA 37 HA ALA 37 15.798 27.956 23.122 282 HB1 ALA 37 HB1 ALA 37 18.652 27.312 22.335 283 HB2 ALA 37 HB2 ALA 37 18.133 28.450 23.592 284 HB3 ALA 37 HB3 ALA 37 17.823 26.713 23.792 285 H HIS 38 H HIS 38 16.536 30.201 22.857 286 HA HIS 38 HA HIS 38 17.234 31.188 20.195 287 HB2 HIS 38 HB2 HIS 38 14.681 30.934 20.310 288 HB3 HIS 38 HB3 HIS 38 14.698 32.204 21.528 289 HD2 HIS 38 HD2 HIS 38 14.909 31.604 17.773 290 HE1 HIS 38 HE1 HIS 38 15.500 35.795 18.243 291 HE2 HIS 38 HE2 HIS 38 15.116 33.945 16.552 292 H GLY 39 H GLY 39 17.416 33.787 20.414 293 HA2 GLY 39 HA2 GLY 39 17.862 35.046 22.867 294 HA3 GLY 39 HA3 GLY 39 19.403 34.310 22.422 295 H TYR 40 H TYR 40 19.564 36.939 22.657 296 HA TYR 40 HA TYR 40 20.260 37.720 19.941 297 HB2 TYR 40 HB2 TYR 40 19.127 39.794 19.789 298 HB3 TYR 40 HB3 TYR 40 17.956 38.547 20.047 299 HD1 TYR 40 HD1 TYR 40 19.299 41.684 21.237 300 HD2 TYR 40 HD2 TYR 40 16.851 38.317 22.364 301 HE1 TYR 40 HE1 TYR 40 18.260 43.045 23.048 302 HE2 TYR 40 HE2 TYR 40 15.817 39.682 24.176 303 HH TYR 40 HH TYR 40 15.563 41.801 25.024 304 H CYS 41 H CYS 41 21.446 39.784 19.828 305 HA CYS 41 HA CYS 41 23.439 39.886 21.939 306 HB2 CYS 41 HB2 CYS 41 23.096 41.380 19.342 307 HB3 CYS 41 HB3 CYS 41 24.456 41.637 20.430 308 H TYR 42 H TYR 42 23.378 40.989 23.694 309 HA TYR 42 HA TYR 42 22.102 43.658 23.983 310 HB2 TYR 42 HB2 TYR 42 20.435 42.005 24.624 311 HB3 TYR 42 HB3 TYR 42 21.600 41.155 25.622 312 HD1 TYR 42 HD1 TYR 42 22.288 42.004 27.816 313 HD2 TYR 42 HD2 TYR 42 19.373 44.099 25.413 314 HE1 TYR 42 HE1 TYR 42 21.600 43.337 29.799 315 HE2 TYR 42 HE2 TYR 42 18.673 45.411 27.408 316 HH TYR 42 HH TYR 42 18.830 45.502 29.813 317 H ALA 43 H ALA 43 23.244 45.043 25.282 318 HA ALA 43 HA ALA 43 25.153 45.946 26.073 319 HB1 ALA 43 HB1 ALA 43 25.097 43.527 27.911 320 HB2 ALA 43 HB2 ALA 43 25.943 45.061 28.210 321 HB3 ALA 43 HB3 ALA 43 24.173 45.027 28.117 322 H PHE 44 H PHE 44 25.598 44.648 23.721 323 HA PHE 44 HA PHE 44 27.050 43.724 22.288 324 HB2 PHE 44 HB2 PHE 44 29.097 45.002 24.099 325 HB3 PHE 44 HB3 PHE 44 29.395 44.424 22.465 326 HD1 PHE 44 HD1 PHE 44 28.498 45.570 20.496 327 HD2 PHE 44 HD2 PHE 44 27.758 47.059 24.471 328 HE1 PHE 44 HE1 PHE 44 27.708 47.729 19.546 329 HE2 PHE 44 HE2 PHE 44 26.945 49.205 23.520 330 HZ PHE 44 HZ PHE 44 26.920 49.540 21.053 331 H ALA 45 H ALA 45 26.143 41.908 24.338 332 HA ALA 45 HA ALA 45 27.994 39.709 23.691 333 HB1 ALA 45 HB1 ALA 45 26.996 40.432 26.479 334 HB2 ALA 45 HB2 ALA 45 27.741 38.878 26.064 335 HB3 ALA 45 HB3 ALA 45 28.679 40.384 25.924 336 H CYS 46 H CYS 46 26.880 37.567 23.943 337 HA CYS 46 HA CYS 46 24.156 37.746 22.872 338 HB2 CYS 46 HB2 CYS 46 25.662 36.113 21.990 339 HB3 CYS 46 HB3 CYS 46 25.954 35.432 23.588 340 H TRP 47 H TRP 47 22.238 37.058 23.798 341 HA TRP 47 HA TRP 47 22.143 36.318 26.679 342 HB2 TRP 47 HB2 TRP 47 21.944 38.804 26.351 343 HB3 TRP 47 HB3 TRP 47 20.516 38.532 25.365 344 HD1 TRP 47 HD1 TRP 47 18.309 38.615 26.649 345 HE1 TRP 47 HE1 TRP 47 17.597 38.626 29.145 346 HE3 TRP 47 HE3 TRP 47 22.847 37.690 28.822 347 HZ2 TRP 47 HZ2 TRP 47 18.763 37.956 31.667 348 HZ3 TRP 47 HZ3 TRP 47 23.011 37.387 31.287 349 HH2 TRP 47 HH2 TRP 47 20.979 37.420 32.697 350 H CYS 48 H CYS 48 21.075 34.416 26.752 351 HA CYS 48 HA CYS 48 19.387 33.484 24.541 352 HB2 CYS 48 HB2 CYS 48 20.112 32.332 27.246 353 HB3 CYS 48 HB3 CYS 48 19.094 31.532 26.054 354 H THR 49 H THR 49 17.148 33.013 24.692 355 HA THR 49 HA THR 49 15.675 34.235 26.987 356 HB THR 49 HB THR 49 14.074 35.248 25.522 357 HG1 THR 49 HG1 THR 49 14.062 34.006 23.768 358 HG21 THR 49 HG21 THR 49 15.354 37.027 24.488 359 HG22 THR 49 HG22 THR 49 16.050 36.634 26.067 360 HG23 THR 49 HG23 THR 49 16.848 36.075 24.588 361 H HIS 50 H HIS 50 13.623 33.514 27.429 362 HA HIS 50 HA HIS 50 11.927 32.068 27.681 363 HB2 HIS 50 HB2 HIS 50 12.435 31.046 24.884 364 HB3 HIS 50 HB3 HIS 50 10.950 30.927 25.813 365 HD2 HIS 50 HD2 HIS 50 9.284 32.946 25.768 366 HE1 HIS 50 HE1 HIS 50 11.579 35.615 23.381 367 HE2 HIS 50 HE2 HIS 50 9.282 35.196 24.412 368 H LEU 51 H LEU 51 14.725 31.082 28.372 369 HA LEU 51 HA LEU 51 14.763 28.227 27.836 370 HB2 LEU 51 HB2 LEU 51 16.459 29.770 29.809 371 HB3 LEU 51 HB3 LEU 51 16.761 28.173 29.155 372 HG LEU 51 HG LEU 51 16.935 30.797 27.624 373 HD11 LEU 51 HD11 LEU 51 19.370 29.974 27.513 374 HD12 LEU 51 HD12 LEU 51 18.785 30.493 29.104 375 HD13 LEU 51 HD13 LEU 51 18.933 28.763 28.699 376 HD21 LEU 51 HD21 LEU 51 16.169 29.029 26.087 377 HD22 LEU 51 HD22 LEU 51 17.855 29.459 25.780 378 HD23 LEU 51 HD23 LEU 51 17.474 27.953 26.656 379 H TYR 52 H TYR 52 15.079 26.629 29.611 380 HA TYR 52 HA TYR 52 13.073 26.715 31.681 381 HB2 TYR 52 HB2 TYR 52 13.938 24.597 32.397 382 HB3 TYR 52 HB3 TYR 52 13.697 24.626 30.687 383 HD1 TYR 52 HD1 TYR 52 16.848 26.201 30.888 384 HD2 TYR 52 HD2 TYR 52 14.902 22.401 31.563 385 HE1 TYR 52 HE1 TYR 52 18.972 25.020 30.447 386 HE2 TYR 52 HE2 TYR 52 17.041 21.228 31.107 387 HH TYR 52 HH TYR 52 19.179 21.435 30.439 388 H GLU 53 H GLU 53 13.543 26.200 33.952 389 HA GLU 53 HA GLU 53 14.901 28.303 35.210 390 HB2 GLU 53 HB2 GLU 53 14.265 27.321 37.229 391 HB3 GLU 53 HB3 GLU 53 12.963 27.012 36.104 392 HG2 GLU 53 HG2 GLU 53 15.083 25.038 37.039 393 HG3 GLU 53 HG3 GLU 53 13.436 25.154 37.638 394 H GLN 54 H GLN 54 16.301 25.397 33.970 395 HA GLN 54 HA GLN 54 18.603 25.410 35.823 396 HB2 GLN 54 HB2 GLN 54 18.229 23.821 33.280 397 HB3 GLN 54 HB3 GLN 54 19.443 23.542 34.518 398 HG2 GLN 54 HG2 GLN 54 16.435 23.186 34.807 399 HG3 GLN 54 HG3 GLN 54 17.624 21.909 34.666 400 HE21 GLN 54 HE21 GLN 54 16.655 22.714 38.325 401 HE22 GLN 54 HE22 GLN 54 15.643 22.780 36.876 402 H ALA 55 H ALA 55 17.869 27.523 33.346 403 HA ALA 55 HA ALA 55 20.328 27.654 31.913 404 HB1 ALA 55 HB1 ALA 55 18.290 29.827 32.510 405 HB2 ALA 55 HB2 ALA 55 19.544 29.891 31.257 406 HB3 ALA 55 HB3 ALA 55 18.242 28.682 31.153 407 H VAL 56 H VAL 56 22.151 28.888 32.089 408 HA VAL 56 HA VAL 56 23.060 29.728 34.758 409 HB VAL 56 HB VAL 56 24.373 29.711 32.018 410 HG11 VAL 56 HG11 VAL 56 25.643 30.452 34.686 411 HG12 VAL 56 HG12 VAL 56 26.522 30.114 33.180 412 HG13 VAL 56 HG13 VAL 56 25.458 31.511 33.261 413 HG21 VAL 56 HG21 VAL 56 25.748 27.895 33.015 414 HG22 VAL 56 HG22 VAL 56 24.811 28.014 34.515 415 HG23 VAL 56 HG23 VAL 56 24.028 27.477 33.015 416 H VAL 57 H VAL 57 23.662 31.844 35.363 417 HA VAL 57 HA VAL 57 22.590 34.076 33.690 418 HB VAL 57 HB VAL 57 21.480 35.079 35.470 419 HG11 VAL 57 HG11 VAL 57 20.633 32.177 35.507 420 HG12 VAL 57 HG12 VAL 57 19.643 33.597 35.890 421 HG13 VAL 57 HG13 VAL 57 20.230 33.350 34.231 422 HG21 VAL 57 HG21 VAL 57 22.902 34.471 37.413 423 HG22 VAL 57 HG22 VAL 57 21.214 34.052 37.720 424 HG23 VAL 57 HG23 VAL 57 22.368 32.785 37.277 425 H TRP 58 H TRP 58 23.067 36.192 35.282 426 HA TRP 58 HA TRP 58 25.332 37.242 34.428 427 HB2 TRP 58 HB2 TRP 58 24.121 37.721 37.176 428 HB3 TRP 58 HB3 TRP 58 25.116 38.881 36.325 429 HD1 TRP 58 HD1 TRP 58 24.050 39.990 34.088 430 HE1 TRP 58 HE1 TRP 58 21.646 40.323 33.297 431 HE3 TRP 58 HE3 TRP 58 21.673 36.937 37.454 432 HZ2 TRP 58 HZ2 TRP 58 19.017 39.326 33.989 433 HZ3 TRP 58 HZ3 TRP 58 19.218 36.617 37.336 434 HH2 TRP 58 HH2 TRP 58 17.882 37.773 35.583 435 HA PRO 59 HA PRO 59 29.567 36.798 35.526 436 HB2 PRO 59 HB2 PRO 59 28.563 37.880 38.158 437 HB3 PRO 59 HB3 PRO 59 30.137 38.174 37.340 438 HG2 PRO 59 HG2 PRO 59 27.666 39.616 36.967 439 HG3 PRO 59 HG3 PRO 59 29.128 39.777 35.949 440 HD2 PRO 59 HD2 PRO 59 26.747 38.829 34.966 441 HD3 PRO 59 HD3 PRO 59 28.318 38.313 34.343 442 H LEU 60 H LEU 60 29.867 34.725 35.277 443 HA LEU 60 HA LEU 60 28.728 32.614 36.662 444 HB2 LEU 60 HB2 LEU 60 29.885 32.614 34.415 445 HB3 LEU 60 HB3 LEU 60 31.425 32.693 35.273 446 HG LEU 60 HG LEU 60 30.748 30.502 36.427 447 HD11 LEU 60 HD11 LEU 60 28.780 30.432 34.098 448 HD12 LEU 60 HD12 LEU 60 29.160 29.081 35.187 449 HD13 LEU 60 HD13 LEU 60 28.337 30.512 35.817 450 HD21 LEU 60 HD21 LEU 60 31.501 29.164 34.487 451 HD22 LEU 60 HD22 LEU 60 31.226 30.564 33.424 452 HD23 LEU 60 HD23 LEU 60 32.467 30.634 34.686 453 HA PRO 61 HA PRO 61 31.253 32.904 40.458 454 HB2 PRO 61 HB2 PRO 61 29.968 31.054 42.005 455 HB3 PRO 61 HB3 PRO 61 29.261 32.651 41.618 456 HG2 PRO 61 HG2 PRO 61 28.739 30.005 40.219 457 HG3 PRO 61 HG3 PRO 61 27.536 31.179 40.845 458 HD2 PRO 61 HD2 PRO 61 28.294 31.155 38.235 459 HD3 PRO 61 HD3 PRO 61 27.960 32.694 39.087 460 H ASN 62 H ASN 62 30.940 30.196 38.359 461 HA ASN 62 HA ASN 62 32.521 28.265 39.799 462 HB2 ASN 62 HB2 ASN 62 31.798 28.443 36.833 463 HB3 ASN 62 HB3 ASN 62 32.364 27.026 37.680 464 HD21 ASN 62 HD21 ASN 62 29.138 26.324 39.045 465 HD22 ASN 62 HD22 ASN 62 30.840 25.839 38.951 466 H LYS 63 H LYS 63 33.295 30.609 37.287 467 HA LYS 63 HA LYS 63 36.208 30.310 37.730 468 HB2 LYS 63 HB2 LYS 63 35.210 28.712 35.824 469 HB3 LYS 63 HB3 LYS 63 35.124 30.188 34.898 470 HG2 LYS 63 HG2 LYS 63 37.183 29.331 34.271 471 HG3 LYS 63 HG3 LYS 63 37.644 30.508 35.492 472 HD2 LYS 63 HD2 LYS 63 38.922 28.445 35.707 473 HD3 LYS 63 HD3 LYS 63 37.918 28.655 37.149 474 HE2 LYS 63 HE2 LYS 63 36.417 26.936 36.514 475 HE3 LYS 63 HE3 LYS 63 36.892 27.019 34.812 476 HZ1 LYS 63 HZ1 LYS 63 38.953 25.970 35.311 477 HZ2 LYS 63 HZ2 LYS 63 38.678 25.990 36.939 478 HZ3 LYS 63 HZ3 LYS 63 37.756 25.058 35.933 479 H ARG 64 H ARG 64 37.151 32.317 37.695 480 HA ARG 64 HA ARG 64 35.650 34.610 36.462 481 HB2 ARG 64 HB2 ARG 64 37.729 34.679 38.681 482 HB3 ARG 64 HB3 ARG 64 36.826 36.037 38.031 483 HG2 ARG 64 HG2 ARG 64 35.786 33.742 39.720 484 HG3 ARG 64 HG3 ARG 64 35.854 35.446 40.140 485 HD2 ARG 64 HD2 ARG 64 34.026 34.119 38.113 486 HD3 ARG 64 HD3 ARG 64 33.556 34.776 39.677 487 HE ARG 64 HE ARG 64 34.414 37.031 38.657 488 HH11 ARG 64 HH11 ARG 64 32.590 34.611 36.883 489 HH12 ARG 64 HH12 ARG 64 32.182 35.742 35.605 490 HH21 ARG 64 HH21 ARG 64 33.601 38.450 37.228 491 HH22 ARG 64 HH22 ARG 64 32.581 37.943 35.898 492 H CYS 65 H CYS 65 36.362 35.194 34.597 493 HA CYS 65 HA CYS 65 38.992 34.434 33.567 494 HB2 CYS 65 HB2 CYS 65 36.874 34.206 32.335 495 HB3 CYS 65 HB3 CYS 65 36.647 35.952 32.383 496 H LYS 66 H LYS 66 40.705 35.772 33.064 497 HA LYS 66 HA LYS 66 40.864 38.363 34.408 498 HB2 LYS 66 HB2 LYS 66 42.820 36.873 32.601 499 HB3 LYS 66 HB3 LYS 66 43.176 38.380 33.459 500 HG2 LYS 66 HG2 LYS 66 42.644 37.233 35.634 501 HG3 LYS 66 HG3 LYS 66 42.408 35.722 34.752 502 HD2 LYS 66 HD2 LYS 66 44.600 35.718 35.727 503 HD3 LYS 66 HD3 LYS 66 44.778 35.828 33.969 504 HE2 LYS 66 HE2 LYS 66 45.249 38.219 34.102 505 HE3 LYS 66 HE3 LYS 66 44.824 38.248 35.825 506 HZ1 LYS 66 HZ1 LYS 66 47.207 38.171 35.566 507 HZ2 LYS 66 HZ2 LYS 66 46.702 36.786 36.252 508 HZ3 LYS 66 HZ3 LYS 66 47.136 36.782 34.665 509 HN1 NH2 67 HN1 NH2 67 39.769 37.560 31.256 510 HN2 NH2 67 HN2 NH2 67 39.911 39.160 30.567 Start of MODEL 11 1 H1 LYS 1 H1 LYS 1 10.697 30.597 30.175 2 H2 LYS 1 H2 LYS 1 12.036 30.021 29.398 3 H3 LYS 1 H3 LYS 1 11.302 31.421 28.887 4 HA LYS 1 HA LYS 1 11.781 32.468 31.007 5 HB2 LYS 1 HB2 LYS 1 12.047 30.167 32.132 6 HB3 LYS 1 HB3 LYS 1 13.694 30.151 31.501 7 HG2 LYS 1 HG2 LYS 1 14.282 32.118 32.792 8 HG3 LYS 1 HG3 LYS 1 12.585 32.418 33.191 9 HD2 LYS 1 HD2 LYS 1 12.490 30.306 34.457 10 HD3 LYS 1 HD3 LYS 1 14.241 30.079 34.203 11 HE2 LYS 1 HE2 LYS 1 14.692 32.163 35.423 12 HE3 LYS 1 HE3 LYS 1 12.972 32.545 35.481 13 HZ1 LYS 1 HZ1 LYS 1 14.283 30.282 36.869 14 HZ2 LYS 1 HZ2 LYS 1 13.642 31.620 37.571 15 HZ3 LYS 1 HZ3 LYS 1 12.654 30.520 36.817 16 H GLU 2 H GLU 2 13.469 33.961 31.011 17 HA GLU 2 HA GLU 2 15.476 33.727 28.786 18 HB2 GLU 2 HB2 GLU 2 14.345 36.125 30.282 19 HB3 GLU 2 HB3 GLU 2 15.739 36.177 29.223 20 HG2 GLU 2 HG2 GLU 2 14.379 36.648 27.566 21 HG3 GLU 2 HG3 GLU 2 13.982 34.939 27.545 22 H GLY 3 H GLY 3 17.688 34.556 29.142 23 HA2 GLY 3 HA2 GLY 3 18.678 35.314 31.669 24 HA3 GLY 3 HA3 GLY 3 18.962 33.582 31.536 25 H TYR 4 H TYR 4 20.993 35.418 31.888 26 HA TYR 4 HA TYR 4 22.295 36.266 29.489 27 HB2 TYR 4 HB2 TYR 4 22.483 37.123 31.883 28 HB3 TYR 4 HB3 TYR 4 23.509 35.745 32.228 29 HD1 TYR 4 HD1 TYR 4 23.146 38.907 30.361 30 HD2 TYR 4 HD2 TYR 4 25.859 35.750 31.478 31 HE1 TYR 4 HE1 TYR 4 25.048 40.317 29.677 32 HE2 TYR 4 HE2 TYR 4 27.794 37.205 30.850 33 HH TYR 4 HH TYR 4 27.275 40.612 29.933 34 H LEU 5 H LEU 5 23.832 35.297 28.142 35 HA LEU 5 HA LEU 5 24.413 32.448 28.584 36 HB2 LEU 5 HB2 LEU 5 23.828 33.354 26.323 37 HB3 LEU 5 HB3 LEU 5 25.320 34.290 26.351 38 HG LEU 5 HG LEU 5 26.622 32.085 26.508 39 HD11 LEU 5 HD11 LEU 5 25.469 30.042 25.853 40 HD12 LEU 5 HD12 LEU 5 24.815 30.637 27.376 41 HD13 LEU 5 HD13 LEU 5 23.904 30.876 25.868 42 HD21 LEU 5 HD21 LEU 5 26.348 31.552 24.158 43 HD22 LEU 5 HD22 LEU 5 24.789 32.412 24.095 44 HD23 LEU 5 HD23 LEU 5 26.310 33.296 24.378 45 H VAL 6 H VAL 6 26.183 31.649 29.534 46 HA VAL 6 HA VAL 6 28.769 33.002 29.257 47 HB VAL 6 HB VAL 6 27.912 34.001 31.305 48 HG11 VAL 6 HG11 VAL 6 27.562 32.745 33.359 49 HG12 VAL 6 HG12 VAL 6 26.435 32.179 32.122 50 HG13 VAL 6 HG13 VAL 6 27.869 31.211 32.524 51 HG21 VAL 6 HG21 VAL 6 30.340 33.605 31.060 52 HG22 VAL 6 HG22 VAL 6 29.813 33.571 32.748 53 HG23 VAL 6 HG23 VAL 6 30.172 32.052 31.904 54 H ASP 7 H ASP 7 30.426 31.658 29.008 55 HA ASP 7 HA ASP 7 29.958 28.766 28.963 56 HB2 ASP 7 HB2 ASP 7 31.208 29.796 27.180 57 HB3 ASP 7 HB3 ASP 7 32.356 30.502 28.297 58 H TYR 8 H TYR 8 30.157 27.514 30.676 59 HA TYR 8 HA TYR 8 31.214 28.480 33.197 60 HB2 TYR 8 HB2 TYR 8 30.700 26.184 33.990 61 HB3 TYR 8 HB3 TYR 8 29.351 26.993 33.213 62 HD1 TYR 8 HD1 TYR 8 28.309 26.095 31.251 63 HD2 TYR 8 HD2 TYR 8 31.934 24.328 32.776 64 HE1 TYR 8 HE1 TYR 8 28.061 24.206 29.650 65 HE2 TYR 8 HE2 TYR 8 31.664 22.427 31.186 66 HH TYR 8 HH TYR 8 28.861 22.138 29.004 67 H HIS 9 H HIS 9 32.744 26.756 30.550 68 HA HIS 9 HA HIS 9 34.909 25.735 32.347 69 HB2 HIS 9 HB2 HIS 9 33.508 24.283 30.714 70 HB3 HIS 9 HB3 HIS 9 34.459 25.017 29.436 71 HD2 HIS 9 HD2 HIS 9 36.902 24.035 29.080 72 HE1 HIS 9 HE1 HIS 9 36.923 21.221 32.283 73 HE2 HIS 9 HE2 HIS 9 38.199 22.061 30.247 74 H THR 10 H THR 10 34.376 27.867 29.633 75 HA THR 10 HA THR 10 37.077 29.057 29.878 76 HB THR 10 HB THR 10 37.112 29.088 27.262 77 HG1 THR 10 HG1 THR 10 35.029 27.851 27.230 78 HG21 THR 10 HG21 THR 10 38.802 28.038 28.735 79 HG22 THR 10 HG22 THR 10 37.851 26.536 28.715 80 HG23 THR 10 HG23 THR 10 38.547 27.186 27.210 81 H GLY 11 H GLY 11 35.492 30.389 30.995 82 HA2 GLY 11 HA2 GLY 11 33.228 31.644 29.851 83 HA3 GLY 11 HA3 GLY 11 33.982 32.005 31.381 84 H CYS 12 H CYS 12 35.445 32.465 28.184 85 HA CYS 12 HA CYS 12 35.849 35.328 28.620 86 HB2 CYS 12 HB2 CYS 12 36.377 33.359 26.410 87 HB3 CYS 12 HB3 CYS 12 36.337 35.084 26.037 88 H LYS 13 H LYS 13 34.579 36.948 27.993 89 HA LYS 13 HA LYS 13 31.839 36.580 27.968 90 HB2 LYS 13 HB2 LYS 13 31.702 39.010 27.546 91 HB3 LYS 13 HB3 LYS 13 32.859 38.546 28.792 92 HG2 LYS 13 HG2 LYS 13 34.685 38.719 26.952 93 HG3 LYS 13 HG3 LYS 13 33.471 39.502 25.967 94 HD2 LYS 13 HD2 LYS 13 34.329 40.393 28.753 95 HD3 LYS 13 HD3 LYS 13 35.031 41.017 27.282 96 HE2 LYS 13 HE2 LYS 13 32.069 41.260 27.993 97 HE3 LYS 13 HE3 LYS 13 33.293 42.480 28.357 98 HZ1 LYS 13 HZ1 LYS 13 32.270 43.119 26.349 99 HZ2 LYS 13 HZ2 LYS 13 33.756 42.566 25.927 100 HZ3 LYS 13 HZ3 LYS 13 32.446 41.633 25.650 101 H TYR 14 H TYR 14 30.164 36.642 26.643 102 HA TYR 14 HA TYR 14 30.631 36.123 23.763 103 HB2 TYR 14 HB2 TYR 14 28.296 35.683 25.627 104 HB3 TYR 14 HB3 TYR 14 28.119 35.636 23.877 105 HD1 TYR 14 HD1 TYR 14 28.836 33.575 26.682 106 HD2 TYR 14 HD2 TYR 14 29.833 34.231 22.540 107 HE1 TYR 14 HE1 TYR 14 29.484 31.163 26.454 108 HE2 TYR 14 HE2 TYR 14 30.489 31.848 22.316 109 HH TYR 14 HH TYR 14 30.141 29.803 23.261 110 H THR 15 H THR 15 31.393 38.435 23.710 111 HA THR 15 HA THR 15 29.513 40.587 23.731 112 HB THR 15 HB THR 15 32.010 40.575 22.041 113 HG1 THR 15 HG1 THR 15 33.058 40.089 23.715 114 HG21 THR 15 HG21 THR 15 32.222 42.896 22.970 115 HG22 THR 15 HG22 THR 15 30.861 42.647 21.892 116 HG23 THR 15 HG23 THR 15 30.589 42.709 23.650 117 H CYS 16 H CYS 16 28.664 41.785 22.062 118 HA CYS 16 HA CYS 16 28.625 40.685 19.272 119 HB2 CYS 16 HB2 CYS 16 26.418 42.269 20.628 120 HB3 CYS 16 HB3 CYS 16 26.443 41.693 18.967 121 H ALA 17 H ALA 17 28.938 42.210 17.609 122 HA ALA 17 HA ALA 17 30.248 44.733 18.362 123 HB1 ALA 17 HB1 ALA 17 29.517 43.546 15.660 124 HB2 ALA 17 HB2 ALA 17 30.609 44.912 15.936 125 HB3 ALA 17 HB3 ALA 17 31.059 43.300 16.513 126 H LYS 18 H LYS 18 27.101 43.709 17.121 127 HA LYS 18 HA LYS 18 26.017 46.486 17.432 128 HB2 LYS 18 HB2 LYS 18 25.289 44.452 15.301 129 HB3 LYS 18 HB3 LYS 18 24.582 46.050 15.492 130 HG2 LYS 18 HG2 LYS 18 26.836 47.069 15.082 131 HG3 LYS 18 HG3 LYS 18 27.488 45.458 14.738 132 HD2 LYS 18 HD2 LYS 18 25.179 46.739 13.229 133 HD3 LYS 18 HD3 LYS 18 26.866 46.780 12.704 134 HE2 LYS 18 HE2 LYS 18 26.946 44.381 12.432 135 HE3 LYS 18 HE3 LYS 18 25.381 44.180 13.226 136 HZ1 LYS 18 HZ1 LYS 18 25.760 45.590 10.642 137 HZ2 LYS 18 HZ2 LYS 18 25.160 44.057 10.825 138 HZ3 LYS 18 HZ3 LYS 18 24.333 45.345 11.408 139 H LEU 19 H LEU 19 23.824 46.658 17.923 140 HA LEU 19 HA LEU 19 22.704 44.602 19.700 141 HB2 LEU 19 HB2 LEU 19 21.599 47.289 18.819 142 HB3 LEU 19 HB3 LEU 19 20.957 46.275 20.106 143 HG LEU 19 HG LEU 19 23.669 47.678 20.087 144 HD11 LEU 19 HD11 LEU 19 21.167 48.126 21.776 145 HD12 LEU 19 HD12 LEU 19 22.706 49.009 21.908 146 HD13 LEU 19 HD13 LEU 19 21.733 49.158 20.439 147 HD21 LEU 19 HD21 LEU 19 23.900 45.594 21.334 148 HD22 LEU 19 HD22 LEU 19 23.822 46.953 22.459 149 HD23 LEU 19 HD23 LEU 19 22.389 45.917 22.229 150 H GLY 20 H GLY 20 22.847 43.142 17.759 151 HA2 GLY 20 HA2 GLY 20 20.359 42.403 16.617 152 HA3 GLY 20 HA3 GLY 20 21.136 43.506 15.490 153 H ASP 21 H ASP 21 23.515 41.623 17.155 154 HA ASP 21 HA ASP 21 23.999 40.066 14.703 155 HB2 ASP 21 HB2 ASP 21 25.677 40.428 17.207 156 HB3 ASP 21 HB3 ASP 21 26.168 39.550 15.762 157 H ASN 22 H ASN 22 21.688 39.327 16.248 158 HA ASN 22 HA ASN 22 21.997 37.399 18.183 159 HB2 ASN 22 HB2 ASN 22 19.592 36.804 17.584 160 HB3 ASN 22 HB3 ASN 22 19.927 38.495 17.926 161 HD21 ASN 22 HD21 ASN 22 18.446 37.581 14.299 162 HD22 ASN 22 HD22 ASN 22 18.831 36.281 15.425 163 H ASP 23 H ASP 23 22.225 36.688 14.694 164 HA ASP 23 HA ASP 23 21.629 33.963 14.647 165 HB2 ASP 23 HB2 ASP 23 22.184 35.213 12.649 166 HB3 ASP 23 HB3 ASP 23 23.817 35.525 13.221 167 H TYR 24 H TYR 24 24.861 35.349 15.536 168 HA TYR 24 HA TYR 24 26.019 32.764 16.044 169 HB2 TYR 24 HB2 TYR 24 27.345 34.798 15.566 170 HB3 TYR 24 HB3 TYR 24 26.875 35.471 17.127 171 HD1 TYR 24 HD1 TYR 24 27.916 34.670 19.193 172 HD2 TYR 24 HD2 TYR 24 28.768 32.759 15.424 173 HE1 TYR 24 HE1 TYR 24 29.775 33.406 20.253 174 HE2 TYR 24 HE2 TYR 24 30.616 31.480 16.498 175 HH TYR 24 HH TYR 24 31.727 32.179 19.732 176 H CYS 25 H CYS 25 24.370 35.107 18.211 177 HA CYS 25 HA CYS 25 24.845 33.670 20.645 178 HB2 CYS 25 HB2 CYS 25 22.499 35.455 19.908 179 HB3 CYS 25 HB3 CYS 25 22.945 34.954 21.531 180 H VAL 26 H VAL 26 22.208 33.409 18.215 181 HA VAL 26 HA VAL 26 20.680 31.405 19.624 182 HB VAL 26 HB VAL 26 20.865 32.097 16.665 183 HG11 VAL 26 HG11 VAL 26 18.671 30.914 16.463 184 HG12 VAL 26 HG12 VAL 26 20.008 29.818 16.808 185 HG13 VAL 26 HG13 VAL 26 18.884 30.279 18.108 186 HG21 VAL 26 HG21 VAL 26 18.682 32.726 18.699 187 HG22 VAL 26 HG22 VAL 26 19.914 33.888 18.190 188 HG23 VAL 26 HG23 VAL 26 18.768 33.264 17.009 189 H ARG 27 H ARG 27 23.248 31.145 17.121 190 HA ARG 27 HA ARG 27 23.351 28.281 17.019 191 HB2 ARG 27 HB2 ARG 27 25.272 30.508 16.298 192 HB3 ARG 27 HB3 ARG 27 25.669 28.802 16.045 193 HG2 ARG 27 HG2 ARG 27 23.854 28.480 14.529 194 HG3 ARG 27 HG3 ARG 27 23.105 30.026 14.943 195 HD2 ARG 27 HD2 ARG 27 24.993 31.254 14.006 196 HD3 ARG 27 HD3 ARG 27 25.817 29.757 13.570 197 HE ARG 27 HE ARG 27 23.564 31.054 12.240 198 HH11 ARG 27 HH11 ARG 27 25.285 28.002 12.467 199 HH12 ARG 27 HH12 ARG 27 24.613 27.401 10.983 200 HH21 ARG 27 HH21 ARG 27 22.684 30.201 10.392 201 HH22 ARG 27 HH22 ARG 27 22.975 28.528 9.974 202 H GLU 28 H GLU 28 24.999 30.520 19.249 203 HA GLU 28 HA GLU 28 26.410 28.311 20.604 204 HB2 GLU 28 HB2 GLU 28 25.680 31.082 21.592 205 HB3 GLU 28 HB3 GLU 28 26.669 29.926 22.471 206 HG2 GLU 28 HG2 GLU 28 27.421 31.222 19.828 207 HG3 GLU 28 HG3 GLU 28 28.047 31.645 21.418 208 H CYS 29 H CYS 29 23.449 30.224 21.390 209 HA CYS 29 HA CYS 29 22.955 28.982 23.857 210 HB2 CYS 29 HB2 CYS 29 22.006 31.154 23.060 211 HB3 CYS 29 HB3 CYS 29 20.900 30.246 22.020 212 H ARG 30 H ARG 30 21.643 28.086 20.629 213 HA ARG 30 HA ARG 30 19.924 26.000 21.590 214 HB2 ARG 30 HB2 ARG 30 19.375 25.667 19.406 215 HB3 ARG 30 HB3 ARG 30 19.898 27.327 19.377 216 HG2 ARG 30 HG2 ARG 30 22.170 26.503 18.556 217 HG3 ARG 30 HG3 ARG 30 21.458 24.879 18.428 218 HD2 ARG 30 HD2 ARG 30 20.534 27.376 16.949 219 HD3 ARG 30 HD3 ARG 30 21.462 26.052 16.254 220 HE ARG 30 HE ARG 30 18.590 26.049 17.042 221 HH11 ARG 30 HH11 ARG 30 21.207 24.106 15.580 222 HH12 ARG 30 HH12 ARG 30 20.066 22.859 15.141 223 HH21 ARG 30 HH21 ARG 30 17.250 24.450 16.206 224 HH22 ARG 30 HH22 ARG 30 17.954 23.097 15.363 225 H LEU 31 H LEU 31 23.334 26.011 21.350 226 HA LEU 31 HA LEU 31 23.414 23.012 21.564 227 HB2 LEU 31 HB2 LEU 31 25.522 25.056 20.785 228 HB3 LEU 31 HB3 LEU 31 25.826 23.322 20.994 229 HG LEU 31 HG LEU 31 24.028 24.632 18.896 230 HD11 LEU 31 HD11 LEU 31 26.439 24.756 18.463 231 HD12 LEU 31 HD12 LEU 31 26.586 22.998 18.647 232 HD13 LEU 31 HD13 LEU 31 25.636 23.687 17.308 233 HD21 LEU 31 HD21 LEU 31 22.981 22.499 19.486 234 HD22 LEU 31 HD22 LEU 31 23.784 22.348 17.931 235 HD23 LEU 31 HD23 LEU 31 24.553 21.666 19.382 236 H ARG 32 H ARG 32 24.422 26.014 23.188 237 HA ARG 32 HA ARG 32 25.624 24.893 25.513 238 HB2 ARG 32 HB2 ARG 32 24.328 27.499 24.655 239 HB3 ARG 32 HB3 ARG 32 24.742 27.289 26.328 240 HG2 ARG 32 HG2 ARG 32 26.768 26.694 24.161 241 HG3 ARG 32 HG3 ARG 32 26.384 28.374 24.558 242 HD2 ARG 32 HD2 ARG 32 26.972 28.056 26.883 243 HD3 ARG 32 HD3 ARG 32 27.240 26.304 26.619 244 HE ARG 32 HE ARG 32 28.684 27.924 24.763 245 HH11 ARG 32 HH11 ARG 32 29.021 26.737 28.046 246 HH12 ARG 32 HH12 ARG 32 30.760 26.477 27.849 247 HH21 ARG 32 HH21 ARG 32 30.713 27.379 24.530 248 HH22 ARG 32 HH22 ARG 32 31.697 26.779 25.879 249 H TYR 33 H TYR 33 22.287 25.179 24.611 250 HA TYR 33 HA TYR 33 21.482 23.960 27.225 251 HB2 TYR 33 HB2 TYR 33 19.959 25.954 25.501 252 HB3 TYR 33 HB3 TYR 33 19.241 24.992 26.790 253 HD1 TYR 33 HD1 TYR 33 19.228 25.710 28.964 254 HD2 TYR 33 HD2 TYR 33 21.885 27.570 26.142 255 HE1 TYR 33 HE1 TYR 33 20.004 27.281 30.739 256 HE2 TYR 33 HE2 TYR 33 22.659 29.151 27.901 257 HH TYR 33 HH TYR 33 22.741 29.491 30.174 258 H TYR 34 H TYR 34 19.586 24.377 24.312 259 HA TYR 34 HA TYR 34 19.593 21.638 23.404 260 HB2 TYR 34 HB2 TYR 34 17.357 21.077 23.953 261 HB3 TYR 34 HB3 TYR 34 18.208 21.429 25.435 262 HD1 TYR 34 HD1 TYR 34 15.218 21.155 24.968 263 HD2 TYR 34 HD2 TYR 34 17.758 24.626 25.208 264 HE1 TYR 34 HE1 TYR 34 13.336 22.497 25.880 265 HE2 TYR 34 HE2 TYR 34 15.948 25.920 26.209 266 HH TYR 34 HH TYR 34 13.622 25.997 26.496 267 H GLN 35 H GLN 35 18.435 21.446 21.413 268 HA GLN 35 HA GLN 35 18.810 23.701 19.854 269 HB2 GLN 35 HB2 GLN 35 17.989 22.446 18.002 270 HB3 GLN 35 HB3 GLN 35 19.009 21.469 19.039 271 HG2 GLN 35 HG2 GLN 35 17.012 20.355 19.981 272 HG3 GLN 35 HG3 GLN 35 15.960 21.349 18.962 273 HE21 GLN 35 HE21 GLN 35 16.685 18.004 17.305 274 HE22 GLN 35 HE22 GLN 35 16.094 18.428 18.926 275 H SER 36 H SER 36 15.834 22.943 21.518 276 HA SER 36 HA SER 36 14.149 24.724 19.983 277 HB2 SER 36 HB2 SER 36 13.824 23.625 22.794 278 HB3 SER 36 HB3 SER 36 12.556 24.412 21.828 279 HG SER 36 HG SER 36 12.591 22.744 20.376 280 H ALA 37 H ALA 37 16.732 25.562 22.034 281 HA ALA 37 HA ALA 37 15.530 27.936 23.244 282 HB1 ALA 37 HB1 ALA 37 17.437 26.737 24.256 283 HB2 ALA 37 HB2 ALA 37 18.454 27.187 22.869 284 HB3 ALA 37 HB3 ALA 37 17.804 28.436 23.949 285 H HIS 38 H HIS 38 16.419 30.152 22.868 286 HA HIS 38 HA HIS 38 17.443 30.801 20.193 287 HB2 HIS 38 HB2 HIS 38 14.832 30.604 20.176 288 HB3 HIS 38 HB3 HIS 38 14.865 32.142 21.032 289 HD2 HIS 38 HD2 HIS 38 15.413 30.551 17.592 290 HE1 HIS 38 HE1 HIS 38 16.117 34.726 17.064 291 HE2 HIS 38 HE2 HIS 38 15.862 32.508 15.855 292 H GLY 39 H GLY 39 17.278 33.626 20.273 293 HA2 GLY 39 HA2 GLY 39 17.778 34.861 22.720 294 HA3 GLY 39 HA3 GLY 39 19.324 34.160 22.275 295 H TYR 40 H TYR 40 19.473 36.692 22.663 296 HA TYR 40 HA TYR 40 20.019 37.902 20.062 297 HB2 TYR 40 HB2 TYR 40 18.681 39.892 20.384 298 HB3 TYR 40 HB3 TYR 40 17.671 38.493 20.351 299 HD1 TYR 40 HD1 TYR 40 18.906 41.311 22.342 300 HD2 TYR 40 HD2 TYR 40 16.480 37.746 22.407 301 HE1 TYR 40 HE1 TYR 40 17.827 42.078 24.450 302 HE2 TYR 40 HE2 TYR 40 15.406 38.519 24.508 303 HH TYR 40 HH TYR 40 15.273 40.158 26.072 304 H CYS 41 H CYS 41 20.939 40.210 20.362 305 HA CYS 41 HA CYS 41 23.119 40.014 22.336 306 HB2 CYS 41 HB2 CYS 41 22.539 41.845 19.996 307 HB3 CYS 41 HB3 CYS 41 23.960 41.998 21.014 308 H TYR 42 H TYR 42 21.576 40.439 24.245 309 HA TYR 42 HA TYR 42 20.342 43.042 24.625 310 HB2 TYR 42 HB2 TYR 42 19.625 41.085 25.919 311 HB3 TYR 42 HB3 TYR 42 21.237 40.923 26.604 312 HD1 TYR 42 HD1 TYR 42 21.887 42.129 28.556 313 HD2 TYR 42 HD2 TYR 42 18.258 43.194 26.484 314 HE1 TYR 42 HE1 TYR 42 21.334 43.771 30.349 315 HE2 TYR 42 HE2 TYR 42 17.724 44.849 28.254 316 HH TYR 42 HH TYR 42 18.404 45.818 30.259 317 H ALA 43 H ALA 43 21.472 44.898 24.633 318 HA ALA 43 HA ALA 43 23.167 46.398 24.829 319 HB1 ALA 43 HB1 ALA 43 23.848 46.788 27.177 320 HB2 ALA 43 HB2 ALA 43 22.104 46.527 26.981 321 HB3 ALA 43 HB3 ALA 43 23.116 45.229 27.627 322 H PHE 44 H PHE 44 24.204 44.782 23.286 323 HA PHE 44 HA PHE 44 26.022 43.932 22.321 324 HB2 PHE 44 HB2 PHE 44 27.635 45.398 24.414 325 HB3 PHE 44 HB3 PHE 44 28.218 44.801 22.874 326 HD1 PHE 44 HD1 PHE 44 26.565 47.560 24.553 327 HD2 PHE 44 HD2 PHE 44 27.268 45.735 20.706 328 HE1 PHE 44 HE1 PHE 44 25.919 49.675 23.426 329 HE2 PHE 44 HE2 PHE 44 26.600 47.849 19.587 330 HZ PHE 44 HZ PHE 44 25.927 49.821 20.945 331 H ALA 45 H ALA 45 24.911 42.342 24.800 332 HA ALA 45 HA ALA 45 27.081 40.295 24.642 333 HB1 ALA 45 HB1 ALA 45 25.403 41.003 27.075 334 HB2 ALA 45 HB2 ALA 45 26.627 39.734 26.978 335 HB3 ALA 45 HB3 ALA 45 27.118 41.437 26.844 336 H CYS 46 H CYS 46 26.418 38.136 24.419 337 HA CYS 46 HA CYS 46 23.795 37.684 23.363 338 HB2 CYS 46 HB2 CYS 46 25.887 35.740 24.350 339 HB3 CYS 46 HB3 CYS 46 24.382 35.248 23.588 340 H TRP 47 H TRP 47 21.949 37.236 24.196 341 HA TRP 47 HA TRP 47 21.565 36.280 27.001 342 HB2 TRP 47 HB2 TRP 47 21.201 38.658 26.838 343 HB3 TRP 47 HB3 TRP 47 20.216 38.478 25.393 344 HD1 TRP 47 HD1 TRP 47 17.736 37.720 25.670 345 HE1 TRP 47 HE1 TRP 47 16.077 37.906 27.626 346 HE3 TRP 47 HE3 TRP 47 21.071 38.370 29.475 347 HZ2 TRP 47 HZ2 TRP 47 16.213 38.158 30.509 348 HZ3 TRP 47 HZ3 TRP 47 20.284 38.572 31.829 349 HH2 TRP 47 HH2 TRP 47 17.863 38.455 32.352 350 H CYS 48 H CYS 48 20.316 34.512 27.132 351 HA CYS 48 HA CYS 48 19.211 33.301 24.667 352 HB2 CYS 48 HB2 CYS 48 19.764 32.381 27.484 353 HB3 CYS 48 HB3 CYS 48 18.759 31.439 26.400 354 H THR 49 H THR 49 17.124 32.647 24.445 355 HA THR 49 HA THR 49 15.102 33.275 26.522 356 HB THR 49 HB THR 49 13.488 34.057 24.985 357 HG1 THR 49 HG1 THR 49 13.846 32.924 23.152 358 HG21 THR 49 HG21 THR 49 15.293 35.738 25.682 359 HG22 THR 49 HG22 THR 49 15.995 35.512 24.077 360 HG23 THR 49 HG23 THR 49 14.343 36.145 24.239 361 H HIS 50 H HIS 50 13.082 31.972 26.174 362 HA HIS 50 HA HIS 50 12.029 29.980 25.988 363 HB2 HIS 50 HB2 HIS 50 13.836 29.433 23.599 364 HB3 HIS 50 HB3 HIS 50 12.407 28.544 24.054 365 HD2 HIS 50 HD2 HIS 50 10.384 29.124 22.662 366 HE1 HIS 50 HE1 HIS 50 11.196 33.192 21.690 367 HE2 HIS 50 HE2 HIS 50 9.515 31.257 21.435 368 H LEU 51 H LEU 51 14.413 30.253 27.710 369 HA LEU 51 HA LEU 51 15.514 27.539 27.960 370 HB2 LEU 51 HB2 LEU 51 15.667 29.858 29.923 371 HB3 LEU 51 HB3 LEU 51 16.633 28.395 29.915 372 HG LEU 51 HG LEU 51 16.782 30.684 27.909 373 HD11 LEU 51 HD11 LEU 51 17.850 31.104 30.056 374 HD12 LEU 51 HD12 LEU 51 18.682 29.532 29.999 375 HD13 LEU 51 HD13 LEU 51 19.107 30.799 28.848 376 HD21 LEU 51 HD21 LEU 51 18.778 29.290 27.033 377 HD22 LEU 51 HD22 LEU 51 18.042 27.921 27.874 378 HD23 LEU 51 HD23 LEU 51 17.159 28.748 26.573 379 H TYR 52 H TYR 52 15.290 26.269 29.869 380 HA TYR 52 HA TYR 52 12.649 25.703 30.683 381 HB2 TYR 52 HB2 TYR 52 14.588 24.724 32.603 382 HB3 TYR 52 HB3 TYR 52 13.587 23.848 31.476 383 HD1 TYR 52 HD1 TYR 52 14.479 23.507 29.059 384 HD2 TYR 52 HD2 TYR 52 16.926 24.794 32.367 385 HE1 TYR 52 HE1 TYR 52 16.524 22.725 27.865 386 HE2 TYR 52 HE2 TYR 52 18.961 24.010 31.171 387 HH TYR 52 HH TYR 52 19.807 23.132 29.248 388 H GLU 53 H GLU 53 11.638 25.796 32.786 389 HA GLU 53 HA GLU 53 11.874 28.305 34.099 390 HB2 GLU 53 HB2 GLU 53 9.940 27.803 34.984 391 HB3 GLU 53 HB3 GLU 53 9.961 26.388 33.969 392 HG2 GLU 53 HG2 GLU 53 9.323 25.531 36.014 393 HG3 GLU 53 HG3 GLU 53 11.023 25.129 35.971 394 H GLN 54 H GLN 54 13.345 25.195 34.892 395 HA GLN 54 HA GLN 54 14.616 26.161 37.352 396 HB2 GLN 54 HB2 GLN 54 14.827 23.615 35.724 397 HB3 GLN 54 HB3 GLN 54 15.755 23.860 37.186 398 HG2 GLN 54 HG2 GLN 54 12.721 24.062 37.212 399 HG3 GLN 54 HG3 GLN 54 13.583 22.528 37.357 400 HE21 GLN 54 HE21 GLN 54 13.304 24.855 40.646 401 HE22 GLN 54 HE22 GLN 54 12.529 25.325 39.113 402 H ALA 55 H ALA 55 15.353 27.337 34.430 403 HA ALA 55 HA ALA 55 17.999 26.576 33.884 404 HB1 ALA 55 HB1 ALA 55 18.126 28.688 32.590 405 HB2 ALA 55 HB2 ALA 55 16.645 27.768 32.283 406 HB3 ALA 55 HB3 ALA 55 16.596 29.207 33.328 407 H VAL 56 H VAL 56 19.929 26.941 34.700 408 HA VAL 56 HA VAL 56 20.241 28.613 37.109 409 HB VAL 56 HB VAL 56 22.037 26.552 35.785 410 HG11 VAL 56 HG11 VAL 56 23.408 26.609 37.807 411 HG12 VAL 56 HG12 VAL 56 23.428 28.193 37.049 412 HG13 VAL 56 HG13 VAL 56 22.417 27.906 38.489 413 HG21 VAL 56 HG21 VAL 56 20.009 25.594 36.816 414 HG22 VAL 56 HG22 VAL 56 21.416 25.194 37.793 415 HG23 VAL 56 HG23 VAL 56 20.324 26.485 38.320 416 H VAL 57 H VAL 57 20.742 30.676 36.882 417 HA VAL 57 HA VAL 57 22.568 31.579 34.691 418 HB VAL 57 HB VAL 57 21.667 33.810 35.096 419 HG11 VAL 57 HG11 VAL 57 20.611 32.318 33.438 420 HG12 VAL 57 HG12 VAL 57 19.468 31.746 34.679 421 HG13 VAL 57 HG13 VAL 57 19.458 33.449 34.163 422 HG21 VAL 57 HG21 VAL 57 21.065 33.628 37.503 423 HG22 VAL 57 HG22 VAL 57 19.717 34.188 36.516 424 HG23 VAL 57 HG23 VAL 57 19.742 32.513 37.085 425 H TRP 58 H TRP 58 22.638 31.131 38.111 426 HA TRP 58 HA TRP 58 24.308 33.333 38.738 427 HB2 TRP 58 HB2 TRP 58 23.878 30.817 40.351 428 HB3 TRP 58 HB3 TRP 58 24.458 32.370 40.946 429 HD1 TRP 58 HD1 TRP 58 22.671 34.369 41.135 430 HE1 TRP 58 HE1 TRP 58 20.109 34.458 41.152 431 HE3 TRP 58 HE3 TRP 58 21.693 29.556 39.737 432 HZ2 TRP 58 HZ2 TRP 58 17.944 32.784 40.154 433 HZ3 TRP 58 HZ3 TRP 58 19.357 28.818 39.287 434 HH2 TRP 58 HH2 TRP 58 17.487 30.446 39.454 435 HA PRO 59 HA PRO 59 28.032 31.861 37.071 436 HB2 PRO 59 HB2 PRO 59 29.872 33.618 38.059 437 HB3 PRO 59 HB3 PRO 59 28.612 34.069 36.952 438 HG2 PRO 59 HG2 PRO 59 28.576 34.339 39.956 439 HG3 PRO 59 HG3 PRO 59 28.174 35.611 38.726 440 HD2 PRO 59 HD2 PRO 59 26.236 34.128 39.951 441 HD3 PRO 59 HD3 PRO 59 26.122 34.575 38.204 442 H LEU 60 H LEU 60 29.507 30.370 37.320 443 HA LEU 60 HA LEU 60 30.295 29.232 39.922 444 HB2 LEU 60 HB2 LEU 60 30.613 28.563 36.983 445 HB3 LEU 60 HB3 LEU 60 31.757 27.881 38.097 446 HG LEU 60 HG LEU 60 29.993 26.786 39.384 447 HD11 LEU 60 HD11 LEU 60 28.079 28.295 39.058 448 HD12 LEU 60 HD12 LEU 60 28.069 27.924 37.314 449 HD13 LEU 60 HD13 LEU 60 27.673 26.665 38.505 450 HD21 LEU 60 HD21 LEU 60 31.016 25.629 37.454 451 HD22 LEU 60 HD22 LEU 60 29.327 25.149 37.668 452 HD23 LEU 60 HD23 LEU 60 29.759 26.294 36.383 453 HA PRO 61 HA PRO 61 34.341 31.232 40.069 454 HB2 PRO 61 HB2 PRO 61 36.013 29.275 41.016 455 HB3 PRO 61 HB3 PRO 61 34.814 30.128 42.033 456 HG2 PRO 61 HG2 PRO 61 34.526 27.432 40.670 457 HG3 PRO 61 HG3 PRO 61 34.134 27.874 42.355 458 HD2 PRO 61 HD2 PRO 61 32.212 27.771 40.442 459 HD3 PRO 61 HD3 PRO 61 32.176 29.025 41.721 460 H ASN 62 H ASN 62 33.951 28.234 38.257 461 HA ASN 62 HA ASN 62 36.496 28.186 37.023 462 HB2 ASN 62 HB2 ASN 62 33.864 26.787 36.485 463 HB3 ASN 62 HB3 ASN 62 35.225 26.624 35.389 464 HD21 ASN 62 HD21 ASN 62 36.702 24.178 37.459 465 HD22 ASN 62 HD22 ASN 62 36.252 24.653 35.828 466 H LYS 63 H LYS 63 33.609 29.902 35.948 467 HA LYS 63 HA LYS 63 34.531 30.448 33.314 468 HB2 LYS 63 HB2 LYS 63 32.799 32.157 33.142 469 HB3 LYS 63 HB3 LYS 63 32.251 30.603 33.708 470 HG2 LYS 63 HG2 LYS 63 31.084 32.408 34.797 471 HG3 LYS 63 HG3 LYS 63 31.950 31.403 35.933 472 HD2 LYS 63 HD2 LYS 63 32.073 33.704 36.584 473 HD3 LYS 63 HD3 LYS 63 33.697 33.147 36.161 474 HE2 LYS 63 HE2 LYS 63 33.559 34.375 34.017 475 HE3 LYS 63 HE3 LYS 63 31.871 34.785 34.335 476 HZ1 LYS 63 HZ1 LYS 63 34.140 35.681 36.041 477 HZ2 LYS 63 HZ2 LYS 63 33.352 36.622 34.922 478 HZ3 LYS 63 HZ3 LYS 63 32.551 36.070 36.224 479 H ARG 64 H ARG 64 36.370 31.322 35.702 480 HA ARG 64 HA ARG 64 37.248 34.006 34.957 481 HB2 ARG 64 HB2 ARG 64 37.670 33.110 37.192 482 HB3 ARG 64 HB3 ARG 64 38.495 31.708 36.529 483 HG2 ARG 64 HG2 ARG 64 40.061 33.247 37.519 484 HG3 ARG 64 HG3 ARG 64 40.394 33.116 35.805 485 HD2 ARG 64 HD2 ARG 64 38.721 35.349 36.974 486 HD3 ARG 64 HD3 ARG 64 40.483 35.440 36.932 487 HE ARG 64 HE ARG 64 40.212 35.068 34.380 488 HH11 ARG 64 HH11 ARG 64 37.947 37.087 36.263 489 HH12 ARG 64 HH12 ARG 64 37.569 37.999 34.812 490 HH21 ARG 64 HH21 ARG 64 39.607 36.270 32.711 491 HH22 ARG 64 HH22 ARG 64 38.432 37.568 32.935 492 H CYS 65 H CYS 65 37.435 33.981 32.714 493 HA CYS 65 HA CYS 65 39.041 32.022 31.298 494 HB2 CYS 65 HB2 CYS 65 37.045 33.334 30.453 495 HB3 CYS 65 HB3 CYS 65 38.124 34.717 30.290 496 H LYS 66 H LYS 66 40.956 32.502 30.047 497 HA LYS 66 HA LYS 66 42.809 34.358 31.479 498 HB2 LYS 66 HB2 LYS 66 43.305 31.727 30.032 499 HB3 LYS 66 HB3 LYS 66 44.585 32.851 30.458 500 HG2 LYS 66 HG2 LYS 66 44.610 31.341 32.226 501 HG3 LYS 66 HG3 LYS 66 43.775 32.749 32.877 502 HD2 LYS 66 HD2 LYS 66 41.580 31.529 32.426 503 HD3 LYS 66 HD3 LYS 66 42.537 30.119 31.961 504 HE2 LYS 66 HE2 LYS 66 43.494 30.023 34.223 505 HE3 LYS 66 HE3 LYS 66 42.735 31.563 34.643 506 HZ1 LYS 66 HZ1 LYS 66 40.562 30.526 34.363 507 HZ2 LYS 66 HZ2 LYS 66 41.245 29.094 33.951 508 HZ3 LYS 66 HZ3 LYS 66 41.447 29.684 35.475 509 HN1 NH2 67 HN1 NH2 67 44.353 35.578 30.363 510 HN2 NH2 67 HN2 NH2 67 44.030 36.095 28.710 Start of MODEL 12 1 H1 LYS 1 H1 LYS 1 12.231 31.714 31.645 2 H2 LYS 1 H2 LYS 1 12.231 30.853 33.050 3 H3 LYS 1 H3 LYS 1 13.120 30.319 31.776 4 HA LYS 1 HA LYS 1 13.561 32.732 33.383 5 HB2 LYS 1 HB2 LYS 1 14.213 30.441 34.285 6 HB3 LYS 1 HB3 LYS 1 15.401 30.332 32.990 7 HG2 LYS 1 HG2 LYS 1 16.550 32.348 33.880 8 HG3 LYS 1 HG3 LYS 1 15.289 32.512 35.120 9 HD2 LYS 1 HD2 LYS 1 15.914 30.242 35.992 10 HD3 LYS 1 HD3 LYS 1 17.257 30.190 34.833 11 HE2 LYS 1 HE2 LYS 1 18.225 32.224 35.886 12 HE3 LYS 1 HE3 LYS 1 16.843 32.326 36.979 13 HZ1 LYS 1 HZ1 LYS 1 17.498 30.140 37.880 14 HZ2 LYS 1 HZ2 LYS 1 18.846 30.126 36.940 15 HZ3 LYS 1 HZ3 LYS 1 18.661 31.254 38.116 16 H GLU 2 H GLU 2 14.863 34.328 32.554 17 HA GLU 2 HA GLU 2 16.042 33.991 29.804 18 HB2 GLU 2 HB2 GLU 2 15.126 36.380 31.423 19 HB3 GLU 2 HB3 GLU 2 16.405 36.566 30.234 20 HG2 GLU 2 HG2 GLU 2 14.298 37.174 29.247 21 HG3 GLU 2 HG3 GLU 2 14.990 35.787 28.436 22 H GLY 3 H GLY 3 18.314 34.588 29.473 23 HA2 GLY 3 HA2 GLY 3 19.968 35.083 31.844 24 HA3 GLY 3 HA3 GLY 3 20.089 33.440 31.247 25 H TYR 4 H TYR 4 22.151 35.370 31.561 26 HA TYR 4 HA TYR 4 23.093 36.275 28.939 27 HB2 TYR 4 HB2 TYR 4 23.469 37.334 31.235 28 HB3 TYR 4 HB3 TYR 4 24.571 36.032 31.595 29 HD1 TYR 4 HD1 TYR 4 26.383 35.768 29.361 30 HD2 TYR 4 HD2 TYR 4 24.539 39.337 30.921 31 HE1 TYR 4 HE1 TYR 4 28.246 37.110 28.482 32 HE2 TYR 4 HE2 TYR 4 26.417 40.692 30.037 33 HH TYR 4 HH TYR 4 28.407 40.686 28.845 34 H LEU 5 H LEU 5 24.282 35.050 27.504 35 HA LEU 5 HA LEU 5 24.628 32.252 28.008 36 HB2 LEU 5 HB2 LEU 5 24.057 33.221 25.815 37 HB3 LEU 5 HB3 LEU 5 25.632 34.006 25.740 38 HG LEU 5 HG LEU 5 26.742 31.759 25.690 39 HD11 LEU 5 HD11 LEU 5 25.067 30.381 26.844 40 HD12 LEU 5 HD12 LEU 5 23.876 30.736 25.582 41 HD13 LEU 5 HD13 LEU 5 25.313 29.765 25.211 42 HD21 LEU 5 HD21 LEU 5 26.199 32.923 23.595 43 HD22 LEU 5 HD22 LEU 5 26.055 31.172 23.406 44 HD23 LEU 5 HD23 LEU 5 24.597 32.164 23.578 45 H VAL 6 H VAL 6 26.329 30.974 28.461 46 HA VAL 6 HA VAL 6 29.094 32.025 28.616 47 HB VAL 6 HB VAL 6 27.822 32.210 30.838 48 HG11 VAL 6 HG11 VAL 6 27.730 30.251 32.269 49 HG12 VAL 6 HG12 VAL 6 26.724 29.998 30.831 50 HG13 VAL 6 HG13 VAL 6 28.313 29.211 30.968 51 HG21 VAL 6 HG21 VAL 6 30.409 30.618 30.944 52 HG22 VAL 6 HG22 VAL 6 30.298 32.357 30.567 53 HG23 VAL 6 HG23 VAL 6 29.760 31.746 32.140 54 H ASP 7 H ASP 7 30.693 30.186 29.044 55 HA ASP 7 HA ASP 7 29.907 27.658 27.674 56 HB2 ASP 7 HB2 ASP 7 31.787 28.941 26.666 57 HB3 ASP 7 HB3 ASP 7 32.663 28.833 28.184 58 H TYR 8 H TYR 8 30.129 25.703 28.840 59 HA TYR 8 HA TYR 8 30.095 25.965 31.758 60 HB2 TYR 8 HB2 TYR 8 29.749 23.610 31.841 61 HB3 TYR 8 HB3 TYR 8 28.692 24.294 30.632 62 HD1 TYR 8 HD1 TYR 8 28.824 23.599 28.327 63 HD2 TYR 8 HD2 TYR 8 31.760 22.233 31.172 64 HE1 TYR 8 HE1 TYR 8 29.577 21.879 26.713 65 HE2 TYR 8 HE2 TYR 8 32.524 20.505 29.547 66 HH TYR 8 HH TYR 8 30.798 19.873 26.495 67 H HIS 9 H HIS 9 32.562 25.428 29.351 68 HA HIS 9 HA HIS 9 34.504 24.256 31.199 69 HB2 HIS 9 HB2 HIS 9 34.385 23.797 28.740 70 HB3 HIS 9 HB3 HIS 9 34.924 25.453 28.442 71 HD2 HIS 9 HD2 HIS 9 37.491 25.588 28.042 72 HE1 HIS 9 HE1 HIS 9 38.780 22.229 30.314 73 HE2 HIS 9 HE2 HIS 9 39.540 24.090 28.788 74 H THR 10 H THR 10 33.697 27.596 30.272 75 HA THR 10 HA THR 10 35.667 28.648 32.150 76 HB THR 10 HB THR 10 37.069 28.141 30.169 77 HG1 THR 10 HG1 THR 10 37.972 30.214 30.088 78 HG21 THR 10 HG21 THR 10 36.975 29.469 28.156 79 HG22 THR 10 HG22 THR 10 35.420 28.652 28.346 80 HG23 THR 10 HG23 THR 10 35.572 30.375 28.741 81 H GLY 11 H GLY 11 35.215 30.663 32.847 82 HA2 GLY 11 HA2 GLY 11 32.584 31.678 32.364 83 HA3 GLY 11 HA3 GLY 11 33.803 32.405 33.398 84 H CYS 12 H CYS 12 34.637 32.089 29.988 85 HA CYS 12 HA CYS 12 34.792 34.998 29.753 86 HB2 CYS 12 HB2 CYS 12 35.673 32.689 28.072 87 HB3 CYS 12 HB3 CYS 12 35.285 34.194 27.245 88 H LYS 13 H LYS 13 33.499 36.390 28.755 89 HA LYS 13 HA LYS 13 30.771 35.586 28.404 90 HB2 LYS 13 HB2 LYS 13 30.331 37.967 28.270 91 HB3 LYS 13 HB3 LYS 13 31.383 37.567 29.611 92 HG2 LYS 13 HG2 LYS 13 33.234 38.225 27.610 93 HG3 LYS 13 HG3 LYS 13 31.849 39.245 27.212 94 HD2 LYS 13 HD2 LYS 13 33.174 40.564 28.638 95 HD3 LYS 13 HD3 LYS 13 31.856 39.991 29.675 96 HE2 LYS 13 HE2 LYS 13 33.512 38.046 30.277 97 HE3 LYS 13 HE3 LYS 13 34.757 39.048 29.525 98 HZ1 LYS 13 HZ1 LYS 13 34.730 39.500 31.839 99 HZ2 LYS 13 HZ2 LYS 13 34.054 40.827 31.158 100 HZ3 LYS 13 HZ3 LYS 13 33.095 39.711 31.887 101 H TYR 14 H TYR 14 29.432 35.488 26.697 102 HA TYR 14 HA TYR 14 30.547 35.433 23.988 103 HB2 TYR 14 HB2 TYR 14 27.881 34.734 25.189 104 HB3 TYR 14 HB3 TYR 14 28.101 34.877 23.444 105 HD1 TYR 14 HD1 TYR 14 29.198 33.206 22.150 106 HD2 TYR 14 HD2 TYR 14 29.320 33.009 26.459 107 HE1 TYR 14 HE1 TYR 14 30.210 30.937 22.019 108 HE2 TYR 14 HE2 TYR 14 30.341 30.735 26.306 109 HH TYR 14 HH TYR 14 30.882 29.062 23.217 110 H THR 15 H THR 15 31.227 37.604 23.806 111 HA THR 15 HA THR 15 29.309 39.803 23.596 112 HB THR 15 HB THR 15 31.178 40.983 22.469 113 HG1 THR 15 HG1 THR 15 32.295 39.382 21.473 114 HG21 THR 15 HG21 THR 15 30.971 40.945 24.967 115 HG22 THR 15 HG22 THR 15 32.107 39.579 24.987 116 HG23 THR 15 HG23 THR 15 32.638 41.157 24.380 117 H CYS 16 H CYS 16 28.677 40.829 21.692 118 HA CYS 16 HA CYS 16 28.702 39.252 19.160 119 HB2 CYS 16 HB2 CYS 16 26.715 41.354 20.104 120 HB3 CYS 16 HB3 CYS 16 26.713 40.542 18.550 121 H ALA 17 H ALA 17 29.344 40.412 17.310 122 HA ALA 17 HA ALA 17 31.020 42.707 17.646 123 HB1 ALA 17 HB1 ALA 17 31.192 42.564 15.195 124 HB2 ALA 17 HB2 ALA 17 31.356 40.967 15.953 125 HB3 ALA 17 HB3 ALA 17 29.832 41.419 15.151 126 H LYS 18 H LYS 18 27.696 42.390 16.352 127 HA LYS 18 HA LYS 18 27.266 45.344 16.540 128 HB2 LYS 18 HB2 LYS 18 26.681 43.629 14.090 129 HB3 LYS 18 HB3 LYS 18 26.216 45.316 14.307 130 HG2 LYS 18 HG2 LYS 18 28.659 45.914 14.524 131 HG3 LYS 18 HG3 LYS 18 29.065 44.235 14.122 132 HD2 LYS 18 HD2 LYS 18 27.927 44.460 11.945 133 HD3 LYS 18 HD3 LYS 18 27.482 46.131 12.348 134 HE2 LYS 18 HE2 LYS 18 29.886 46.728 12.528 135 HE3 LYS 18 HE3 LYS 18 30.336 45.062 12.137 136 HZ1 LYS 18 HZ1 LYS 18 29.268 45.329 9.980 137 HZ2 LYS 18 HZ2 LYS 18 28.822 46.880 10.335 138 HZ3 LYS 18 HZ3 LYS 18 30.411 46.464 10.150 139 H LEU 19 H LEU 19 25.057 45.998 16.656 140 HA LEU 19 HA LEU 19 23.279 44.097 18.031 141 HB2 LEU 19 HB2 LEU 19 22.751 46.943 17.063 142 HB3 LEU 19 HB3 LEU 19 21.711 45.999 18.121 143 HG LEU 19 HG LEU 19 24.506 46.961 18.777 144 HD11 LEU 19 HD11 LEU 19 21.800 47.844 19.847 145 HD12 LEU 19 HD12 LEU 19 23.385 48.404 20.437 146 HD13 LEU 19 HD13 LEU 19 22.885 48.777 18.793 147 HD21 LEU 19 HD21 LEU 19 22.504 45.459 20.515 148 HD22 LEU 19 HD22 LEU 19 24.096 44.871 19.978 149 HD23 LEU 19 HD23 LEU 19 24.002 46.226 21.098 150 H GLY 20 H GLY 20 21.082 43.657 17.334 151 HA2 GLY 20 HA2 GLY 20 19.522 42.880 15.860 152 HA3 GLY 20 HA3 GLY 20 20.245 43.836 14.575 153 H ASP 21 H ASP 21 22.859 42.513 14.774 154 HA ASP 21 HA ASP 21 22.439 40.127 13.178 155 HB2 ASP 21 HB2 ASP 21 24.216 41.655 12.652 156 HB3 ASP 21 HB3 ASP 21 24.869 41.566 14.292 157 H ASN 22 H ASN 22 21.085 39.192 15.091 158 HA ASN 22 HA ASN 22 22.636 37.998 17.240 159 HB2 ASN 22 HB2 ASN 22 20.533 37.276 18.086 160 HB3 ASN 22 HB3 ASN 22 20.375 38.950 17.560 161 HD21 ASN 22 HD21 ASN 22 17.659 36.440 16.319 162 HD22 ASN 22 HD22 ASN 22 18.538 36.423 17.865 163 H ASP 23 H ASP 23 22.486 36.858 14.117 164 HA ASP 23 HA ASP 23 21.522 34.231 14.381 165 HB2 ASP 23 HB2 ASP 23 23.818 34.920 12.530 166 HB3 ASP 23 HB3 ASP 23 22.583 33.684 12.339 167 H TYR 24 H TYR 24 24.967 35.265 14.738 168 HA TYR 24 HA TYR 24 26.000 32.691 15.460 169 HB2 TYR 24 HB2 TYR 24 27.582 34.233 14.767 170 HB3 TYR 24 HB3 TYR 24 26.901 35.543 15.699 171 HD1 TYR 24 HD1 TYR 24 27.579 36.035 17.933 172 HD2 TYR 24 HD2 TYR 24 29.019 32.488 15.943 173 HE1 TYR 24 HE1 TYR 24 29.287 35.749 19.702 174 HE2 TYR 24 HE2 TYR 24 30.741 32.206 17.716 175 HH TYR 24 HH TYR 24 31.484 32.924 19.762 176 H CYS 25 H CYS 25 24.740 35.339 17.547 177 HA CYS 25 HA CYS 25 25.094 34.048 20.051 178 HB2 CYS 25 HB2 CYS 25 24.571 36.350 19.977 179 HB3 CYS 25 HB3 CYS 25 23.155 36.099 18.983 180 H VAL 26 H VAL 26 22.247 33.822 17.823 181 HA VAL 26 HA VAL 26 20.748 32.005 19.457 182 HB VAL 26 HB VAL 26 20.742 32.469 16.451 183 HG11 VAL 26 HG11 VAL 26 19.833 30.232 16.758 184 HG12 VAL 26 HG12 VAL 26 18.839 30.773 18.129 185 HG13 VAL 26 HG13 VAL 26 18.494 31.343 16.482 186 HG21 VAL 26 HG21 VAL 26 19.967 34.354 17.924 187 HG22 VAL 26 HG22 VAL 26 18.687 33.699 16.904 188 HG23 VAL 26 HG23 VAL 26 18.759 33.270 18.627 189 H ARG 27 H ARG 27 23.115 31.315 16.830 190 HA ARG 27 HA ARG 27 22.928 28.464 16.974 191 HB2 ARG 27 HB2 ARG 27 25.119 30.354 16.052 192 HB3 ARG 27 HB3 ARG 27 25.219 28.599 15.875 193 HG2 ARG 27 HG2 ARG 27 23.288 28.518 14.433 194 HG3 ARG 27 HG3 ARG 27 22.878 30.207 14.763 195 HD2 ARG 27 HD2 ARG 27 25.060 30.898 13.765 196 HD3 ARG 27 HD3 ARG 27 25.340 29.218 13.278 197 HE ARG 27 HE ARG 27 23.035 29.507 12.065 198 HH11 ARG 27 HH11 ARG 27 25.516 32.012 12.160 199 HH12 ARG 27 HH12 ARG 27 24.768 32.868 10.838 200 HH21 ARG 27 HH21 ARG 27 22.299 30.561 10.336 201 HH22 ARG 27 HH22 ARG 27 22.992 32.121 9.878 202 H GLU 28 H GLU 28 25.330 30.624 18.603 203 HA GLU 28 HA GLU 28 26.571 28.442 20.028 204 HB2 GLU 28 HB2 GLU 28 26.364 31.398 20.602 205 HB3 GLU 28 HB3 GLU 28 27.398 30.330 21.539 206 HG2 GLU 28 HG2 GLU 28 27.719 30.736 18.538 207 HG3 GLU 28 HG3 GLU 28 28.587 31.649 19.777 208 H CYS 29 H CYS 29 23.674 30.346 20.792 209 HA CYS 29 HA CYS 29 23.546 29.374 23.527 210 HB2 CYS 29 HB2 CYS 29 22.655 31.577 22.637 211 HB3 CYS 29 HB3 CYS 29 21.293 30.675 21.970 212 H ARG 30 H ARG 30 21.826 28.472 20.480 213 HA ARG 30 HA ARG 30 20.316 26.344 21.743 214 HB2 ARG 30 HB2 ARG 30 19.522 25.796 19.661 215 HB3 ARG 30 HB3 ARG 30 19.790 27.524 19.541 216 HG2 ARG 30 HG2 ARG 30 21.995 27.000 18.405 217 HG3 ARG 30 HG3 ARG 30 21.535 25.296 18.376 218 HD2 ARG 30 HD2 ARG 30 20.044 27.600 17.062 219 HD3 ARG 30 HD3 ARG 30 21.100 26.460 16.233 220 HE ARG 30 HE ARG 30 18.420 25.862 17.432 221 HH11 ARG 30 HH11 ARG 30 21.081 24.437 15.538 222 HH12 ARG 30 HH12 ARG 30 19.916 23.366 14.753 223 HH21 ARG 30 HH21 ARG 30 17.178 24.595 16.243 224 HH22 ARG 30 HH22 ARG 30 17.900 23.345 15.214 225 H LEU 31 H LEU 31 23.575 26.464 20.359 226 HA LEU 31 HA LEU 31 24.032 23.599 20.705 227 HB2 LEU 31 HB2 LEU 31 25.854 25.996 20.363 228 HB3 LEU 31 HB3 LEU 31 26.454 24.345 20.511 229 HG LEU 31 HG LEU 31 24.519 25.199 18.320 230 HD11 LEU 31 HD11 LEU 31 27.551 24.934 18.181 231 HD12 LEU 31 HD12 LEU 31 26.449 25.352 16.848 232 HD13 LEU 31 HD13 LEU 31 26.660 26.472 18.196 233 HD21 LEU 31 HD21 LEU 31 26.329 22.768 18.645 234 HD22 LEU 31 HD22 LEU 31 24.551 22.778 18.689 235 HD23 LEU 31 HD23 LEU 31 25.395 23.167 17.189 236 H ARG 32 H ARG 32 23.980 26.277 22.952 237 HA ARG 32 HA ARG 32 25.508 24.843 25.013 238 HB2 ARG 32 HB2 ARG 32 25.569 27.325 24.817 239 HB3 ARG 32 HB3 ARG 32 23.864 27.407 25.208 240 HG2 ARG 32 HG2 ARG 32 25.162 27.938 27.176 241 HG3 ARG 32 HG3 ARG 32 24.293 26.434 27.444 242 HD2 ARG 32 HD2 ARG 32 26.589 26.348 28.325 243 HD3 ARG 32 HD3 ARG 32 26.318 25.136 27.076 244 HE ARG 32 HE ARG 32 27.630 27.785 26.542 245 HH11 ARG 32 HH11 ARG 32 27.911 24.263 26.225 246 HH12 ARG 32 HH12 ARG 32 29.369 24.436 25.279 247 HH21 ARG 32 HH21 ARG 32 29.092 27.814 24.924 248 HH22 ARG 32 HH22 ARG 32 30.063 26.397 24.598 249 H TYR 33 H TYR 33 22.120 26.057 24.976 250 HA TYR 33 HA TYR 33 21.578 24.231 27.220 251 HB2 TYR 33 HB2 TYR 33 19.759 26.333 26.025 252 HB3 TYR 33 HB3 TYR 33 19.591 25.506 27.578 253 HD1 TYR 33 HD1 TYR 33 21.676 25.703 29.198 254 HD2 TYR 33 HD2 TYR 33 20.659 28.498 26.092 255 HE1 TYR 33 HE1 TYR 33 23.052 27.448 30.325 256 HE2 TYR 33 HE2 TYR 33 22.044 30.253 27.233 257 HH TYR 33 HH TYR 33 23.675 29.653 30.352 258 H TYR 34 H TYR 34 19.634 24.922 24.256 259 HA TYR 34 HA TYR 34 19.008 22.107 23.823 260 HB2 TYR 34 HB2 TYR 34 16.614 22.343 24.187 261 HB3 TYR 34 HB3 TYR 34 17.500 22.612 25.670 262 HD1 TYR 34 HD1 TYR 34 17.734 24.906 26.618 263 HD2 TYR 34 HD2 TYR 34 15.140 24.025 23.321 264 HE1 TYR 34 HE1 TYR 34 16.682 27.128 26.889 265 HE2 TYR 34 HE2 TYR 34 13.986 26.238 23.652 266 HH TYR 34 HH TYR 34 15.045 28.615 26.064 267 H GLN 35 H GLN 35 17.937 21.783 21.740 268 HA GLN 35 HA GLN 35 19.034 23.677 19.914 269 HB2 GLN 35 HB2 GLN 35 18.377 22.304 18.163 270 HB3 GLN 35 HB3 GLN 35 18.902 21.264 19.472 271 HG2 GLN 35 HG2 GLN 35 16.831 20.307 19.710 272 HG3 GLN 35 HG3 GLN 35 15.942 21.776 19.350 273 HE21 GLN 35 HE21 GLN 35 15.488 21.006 15.954 274 HE22 GLN 35 HE22 GLN 35 14.908 21.879 17.367 275 H SER 36 H SER 36 15.692 23.479 21.119 276 HA SER 36 HA SER 36 14.652 25.369 19.189 277 HB2 SER 36 HB2 SER 36 13.618 24.724 21.976 278 HB3 SER 36 HB3 SER 36 12.746 25.556 20.695 279 HG SER 36 HG SER 36 12.222 23.347 20.933 280 H ALA 37 H ALA 37 17.010 26.033 21.559 281 HA ALA 37 HA ALA 37 15.827 28.312 22.798 282 HB1 ALA 37 HB1 ALA 37 18.037 28.777 23.667 283 HB2 ALA 37 HB2 ALA 37 17.771 27.022 23.702 284 HB3 ALA 37 HB3 ALA 37 18.787 27.747 22.434 285 H HIS 38 H HIS 38 16.168 30.517 22.588 286 HA HIS 38 HA HIS 38 17.511 31.573 20.165 287 HB2 HIS 38 HB2 HIS 38 15.072 31.270 19.719 288 HB3 HIS 38 HB3 HIS 38 14.711 32.353 21.059 289 HD2 HIS 38 HD2 HIS 38 15.966 32.317 17.436 290 HE1 HIS 38 HE1 HIS 38 15.660 36.426 18.532 291 HE2 HIS 38 HE2 HIS 38 16.062 34.814 16.594 292 H GLY 39 H GLY 39 17.860 33.940 20.305 293 HA2 GLY 39 HA2 GLY 39 17.797 35.343 22.764 294 HA3 GLY 39 HA3 GLY 39 19.410 34.648 22.544 295 H TYR 40 H TYR 40 19.397 37.240 22.710 296 HA TYR 40 HA TYR 40 20.122 38.128 20.017 297 HB2 TYR 40 HB2 TYR 40 18.809 40.051 19.934 298 HB3 TYR 40 HB3 TYR 40 17.742 38.724 20.210 299 HD1 TYR 40 HD1 TYR 40 16.854 38.376 22.660 300 HD2 TYR 40 HD2 TYR 40 18.771 41.983 21.259 301 HE1 TYR 40 HE1 TYR 40 15.704 39.692 24.445 302 HE2 TYR 40 HE2 TYR 40 17.638 43.278 23.038 303 HH TYR 40 HH TYR 40 15.876 43.239 24.512 304 H CYS 41 H CYS 41 21.100 40.316 20.009 305 HA CYS 41 HA CYS 41 23.326 40.092 21.888 306 HB2 CYS 41 HB2 CYS 41 22.864 41.604 19.316 307 HB3 CYS 41 HB3 CYS 41 24.369 41.711 20.246 308 H TYR 42 H TYR 42 21.539 40.917 23.537 309 HA TYR 42 HA TYR 42 20.794 43.672 23.700 310 HB2 TYR 42 HB2 TYR 42 19.746 41.845 24.994 311 HB3 TYR 42 HB3 TYR 42 21.237 41.616 25.893 312 HD1 TYR 42 HD1 TYR 42 21.998 43.333 27.567 313 HD2 TYR 42 HD2 TYR 42 18.225 43.673 25.511 314 HE1 TYR 42 HE1 TYR 42 21.223 44.988 29.255 315 HE2 TYR 42 HE2 TYR 42 17.452 45.321 27.195 316 HH TYR 42 HH TYR 42 17.966 46.458 29.141 317 H ALA 43 H ALA 43 22.018 45.418 23.979 318 HA ALA 43 HA ALA 43 23.851 46.718 24.245 319 HB1 ALA 43 HB1 ALA 43 24.145 45.181 26.846 320 HB2 ALA 43 HB2 ALA 43 24.799 46.793 26.494 321 HB3 ALA 43 HB3 ALA 43 23.037 46.537 26.565 322 H PHE 44 H PHE 44 24.397 44.550 22.543 323 HA PHE 44 HA PHE 44 26.031 43.588 21.385 324 HB2 PHE 44 HB2 PHE 44 28.036 45.232 22.954 325 HB3 PHE 44 HB3 PHE 44 28.350 44.339 21.513 326 HD1 PHE 44 HD1 PHE 44 26.674 47.349 22.869 327 HD2 PHE 44 HD2 PHE 44 27.744 45.151 19.310 328 HE1 PHE 44 HE1 PHE 44 26.116 49.333 21.479 329 HE2 PHE 44 HE2 PHE 44 27.233 47.160 17.921 330 HZ PHE 44 HZ PHE 44 26.389 49.229 19.004 331 H ALA 45 H ALA 45 25.145 42.346 24.064 332 HA ALA 45 HA ALA 45 27.015 40.098 23.729 333 HB1 ALA 45 HB1 ALA 45 26.221 41.209 26.436 334 HB2 ALA 45 HB2 ALA 45 27.126 39.720 26.154 335 HB3 ALA 45 HB3 ALA 45 27.873 41.275 25.710 336 H CYS 46 H CYS 46 26.270 38.045 24.206 337 HA CYS 46 HA CYS 46 23.589 37.848 23.153 338 HB2 CYS 46 HB2 CYS 46 25.482 36.461 22.452 339 HB3 CYS 46 HB3 CYS 46 25.573 35.725 24.035 340 H TRP 47 H TRP 47 21.769 37.774 24.201 341 HA TRP 47 HA TRP 47 21.511 36.683 26.974 342 HB2 TRP 47 HB2 TRP 47 21.420 39.160 26.814 343 HB3 TRP 47 HB3 TRP 47 20.122 39.060 25.654 344 HD1 TRP 47 HD1 TRP 47 17.703 38.670 26.555 345 HE1 TRP 47 HE1 TRP 47 16.627 38.836 28.893 346 HE3 TRP 47 HE3 TRP 47 21.948 38.712 29.408 347 HZ2 TRP 47 HZ2 TRP 47 17.492 38.696 31.632 348 HZ3 TRP 47 HZ3 TRP 47 21.796 38.812 31.883 349 HH2 TRP 47 HH2 TRP 47 19.569 38.722 33.011 350 H CYS 48 H CYS 48 20.143 34.984 27.076 351 HA CYS 48 HA CYS 48 18.470 34.356 24.689 352 HB2 CYS 48 HB2 CYS 48 19.687 32.425 26.694 353 HB3 CYS 48 HB3 CYS 48 18.809 32.038 25.192 354 H THR 49 H THR 49 16.570 33.141 24.921 355 HA THR 49 HA THR 49 14.962 34.015 27.294 356 HB THR 49 HB THR 49 13.093 34.214 25.690 357 HG1 THR 49 HG1 THR 49 13.950 34.169 23.374 358 HG21 THR 49 HG21 THR 49 13.836 36.157 24.466 359 HG22 THR 49 HG22 THR 49 14.609 36.181 26.042 360 HG23 THR 49 HG23 THR 49 15.549 35.700 24.610 361 H HIS 50 H HIS 50 13.069 32.882 27.838 362 HA HIS 50 HA HIS 50 11.816 31.062 28.378 363 HB2 HIS 50 HB2 HIS 50 12.305 30.174 25.556 364 HB3 HIS 50 HB3 HIS 50 10.917 29.793 26.562 365 HD2 HIS 50 HD2 HIS 50 11.996 32.163 23.921 366 HE1 HIS 50 HE1 HIS 50 8.518 33.939 25.605 367 HE2 HIS 50 HE2 HIS 50 10.167 34.043 23.665 368 H LEU 51 H LEU 51 14.631 30.728 29.024 369 HA LEU 51 HA LEU 51 15.428 27.978 28.577 370 HB2 LEU 51 HB2 LEU 51 16.496 29.852 30.703 371 HB3 LEU 51 HB3 LEU 51 17.324 28.496 29.956 372 HG LEU 51 HG LEU 51 16.687 31.150 28.578 373 HD11 LEU 51 HD11 LEU 51 19.080 31.589 28.795 374 HD12 LEU 51 HD12 LEU 51 18.361 31.332 30.391 375 HD13 LEU 51 HD13 LEU 51 19.317 30.037 29.631 376 HD21 LEU 51 HD21 LEU 51 16.831 29.379 26.922 377 HD22 LEU 51 HD22 LEU 51 18.305 30.341 26.865 378 HD23 LEU 51 HD23 LEU 51 18.334 28.759 27.665 379 H TYR 52 H TYR 52 15.584 26.327 30.167 380 HA TYR 52 HA TYR 52 13.583 26.257 32.268 381 HB2 TYR 52 HB2 TYR 52 14.951 24.126 32.867 382 HB3 TYR 52 HB3 TYR 52 13.971 24.161 31.443 383 HD1 TYR 52 HD1 TYR 52 14.881 23.643 29.306 384 HD2 TYR 52 HD2 TYR 52 17.496 24.625 32.580 385 HE1 TYR 52 HE1 TYR 52 16.834 22.826 27.996 386 HE2 TYR 52 HE2 TYR 52 19.461 23.823 31.260 387 HH TYR 52 HH TYR 52 19.070 22.040 28.292 388 H GLU 53 H GLU 53 14.009 25.920 34.502 389 HA GLU 53 HA GLU 53 15.698 27.854 35.747 390 HB2 GLU 53 HB2 GLU 53 14.627 25.268 36.937 391 HB3 GLU 53 HB3 GLU 53 15.153 26.683 37.834 392 HG2 GLU 53 HG2 GLU 53 12.690 26.447 36.060 393 HG3 GLU 53 HG3 GLU 53 12.735 26.548 37.807 394 H GLN 54 H GLN 54 16.454 24.552 34.756 395 HA GLN 54 HA GLN 54 18.875 24.404 36.382 396 HB2 GLN 54 HB2 GLN 54 17.583 22.559 34.362 397 HB3 GLN 54 HB3 GLN 54 19.167 22.190 35.024 398 HG2 GLN 54 HG2 GLN 54 16.758 22.646 36.817 399 HG3 GLN 54 HG3 GLN 54 17.204 21.083 36.147 400 HE21 GLN 54 HE21 GLN 54 19.335 20.516 38.911 401 HE22 GLN 54 HE22 GLN 54 18.174 19.835 37.784 402 H ALA 55 H ALA 55 18.635 26.436 33.949 403 HA ALA 55 HA ALA 55 20.757 25.675 32.164 404 HB1 ALA 55 HB1 ALA 55 19.554 28.394 32.828 405 HB2 ALA 55 HB2 ALA 55 20.588 28.036 31.430 406 HB3 ALA 55 HB3 ALA 55 18.992 27.270 31.571 407 H VAL 56 H VAL 56 22.953 26.111 32.148 408 HA VAL 56 HA VAL 56 24.251 27.113 34.562 409 HB VAL 56 HB VAL 56 25.237 25.314 33.262 410 HG11 VAL 56 HG11 VAL 56 26.500 25.730 31.220 411 HG12 VAL 56 HG12 VAL 56 24.794 26.084 30.952 412 HG13 VAL 56 HG13 VAL 56 25.948 27.417 31.171 413 HG21 VAL 56 HG21 VAL 56 26.618 26.721 34.772 414 HG22 VAL 56 HG22 VAL 56 27.539 26.064 33.414 415 HG23 VAL 56 HG23 VAL 56 27.045 27.766 33.397 416 H VAL 57 H VAL 57 24.966 29.045 35.076 417 HA VAL 57 HA VAL 57 25.656 31.115 33.141 418 HB VAL 57 HB VAL 57 23.338 31.508 33.073 419 HG11 VAL 57 HG11 VAL 57 21.884 32.025 34.935 420 HG12 VAL 57 HG12 VAL 57 22.534 30.394 35.115 421 HG13 VAL 57 HG13 VAL 57 23.182 31.721 36.097 422 HG21 VAL 57 HG21 VAL 57 23.141 33.796 33.859 423 HG22 VAL 57 HG22 VAL 57 24.552 33.597 34.913 424 HG23 VAL 57 HG23 VAL 57 24.719 33.503 33.134 425 H TRP 58 H TRP 58 27.678 31.287 33.953 426 HA TRP 58 HA TRP 58 29.397 31.092 35.372 427 HB2 TRP 58 HB2 TRP 58 27.923 33.431 36.518 428 HB3 TRP 58 HB3 TRP 58 29.508 32.923 37.127 429 HD1 TRP 58 HD1 TRP 58 31.599 33.464 35.822 430 HE1 TRP 58 HE1 TRP 58 32.154 34.415 33.502 431 HE3 TRP 58 HE3 TRP 58 26.850 33.923 33.967 432 HZ2 TRP 58 HZ2 TRP 58 30.740 35.052 31.098 433 HZ3 TRP 58 HZ3 TRP 58 26.491 34.594 31.597 434 HH2 TRP 58 HH2 TRP 58 28.444 35.153 30.155 435 HA PRO 59 HA PRO 59 29.761 30.069 40.042 436 HB2 PRO 59 HB2 PRO 59 26.953 29.038 39.534 437 HB3 PRO 59 HB3 PRO 59 27.820 29.129 41.108 438 HG2 PRO 59 HG2 PRO 59 26.258 31.193 40.125 439 HG3 PRO 59 HG3 PRO 59 27.702 31.482 41.142 440 HD2 PRO 59 HD2 PRO 59 27.332 32.203 38.383 441 HD3 PRO 59 HD3 PRO 59 28.779 32.454 39.395 442 H LEU 60 H LEU 60 31.080 29.255 37.885 443 HA LEU 60 HA LEU 60 30.347 26.650 36.931 444 HB2 LEU 60 HB2 LEU 60 32.878 28.313 36.595 445 HB3 LEU 60 HB3 LEU 60 32.640 26.802 35.753 446 HG LEU 60 HG LEU 60 31.028 29.298 35.400 447 HD11 LEU 60 HD11 LEU 60 32.824 27.740 33.497 448 HD12 LEU 60 HD12 LEU 60 31.962 29.240 33.126 449 HD13 LEU 60 HD13 LEU 60 33.263 29.251 34.331 450 HD21 LEU 60 HD21 LEU 60 29.919 28.066 33.501 451 HD22 LEU 60 HD22 LEU 60 30.647 26.565 34.104 452 HD23 LEU 60 HD23 LEU 60 29.459 27.456 35.090 453 HA PRO 61 HA PRO 61 32.829 24.049 39.733 454 HB2 PRO 61 HB2 PRO 61 32.786 21.713 38.333 455 HB3 PRO 61 HB3 PRO 61 31.326 22.343 39.143 456 HG2 PRO 61 HG2 PRO 61 32.071 22.614 36.229 457 HG3 PRO 61 HG3 PRO 61 30.507 22.096 36.931 458 HD2 PRO 61 HD2 PRO 61 30.981 24.668 36.119 459 HD3 PRO 61 HD3 PRO 61 29.936 24.296 37.521 460 H ASN 62 H ASN 62 33.501 25.098 36.580 461 HA ASN 62 HA ASN 62 36.157 23.837 36.357 462 HB2 ASN 62 HB2 ASN 62 34.256 24.986 34.292 463 HB3 ASN 62 HB3 ASN 62 35.836 24.306 33.934 464 HD21 ASN 62 HD21 ASN 62 32.989 21.720 33.722 465 HD22 ASN 62 HD22 ASN 62 32.984 23.427 33.253 466 H LYS 63 H LYS 63 35.903 26.602 34.333 467 HA LYS 63 HA LYS 63 38.132 27.689 35.986 468 HB2 LYS 63 HB2 LYS 63 38.757 26.589 33.962 469 HB3 LYS 63 HB3 LYS 63 37.819 27.738 32.991 470 HG2 LYS 63 HG2 LYS 63 39.341 29.542 33.561 471 HG3 LYS 63 HG3 LYS 63 40.103 28.565 34.823 472 HD2 LYS 63 HD2 LYS 63 41.595 28.615 32.942 473 HD3 LYS 63 HD3 LYS 63 40.934 26.984 33.091 474 HE2 LYS 63 HE2 LYS 63 39.160 27.750 31.343 475 HE3 LYS 63 HE3 LYS 63 40.191 29.161 31.091 476 HZ1 LYS 63 HZ1 LYS 63 40.946 26.326 30.704 477 HZ2 LYS 63 HZ2 LYS 63 40.693 27.427 29.506 478 HZ3 LYS 63 HZ3 LYS 63 42.007 27.549 30.499 479 H ARG 64 H ARG 64 38.564 29.648 36.444 480 HA ARG 64 HA ARG 64 36.735 31.932 35.932 481 HB2 ARG 64 HB2 ARG 64 39.384 31.630 37.434 482 HB3 ARG 64 HB3 ARG 64 38.481 33.142 37.321 483 HG2 ARG 64 HG2 ARG 64 37.325 30.590 38.526 484 HG3 ARG 64 HG3 ARG 64 38.184 31.799 39.471 485 HD2 ARG 64 HD2 ARG 64 36.471 33.317 39.411 486 HD3 ARG 64 HD3 ARG 64 36.017 32.906 37.763 487 HE ARG 64 HE ARG 64 34.466 31.410 38.502 488 HH11 ARG 64 HH11 ARG 64 36.490 32.098 41.348 489 HH12 ARG 64 HH12 ARG 64 35.379 31.233 42.376 490 HH21 ARG 64 HH21 ARG 64 33.183 30.369 39.894 491 HH22 ARG 64 HH22 ARG 64 33.711 30.127 41.567 492 H CYS 65 H CYS 65 36.897 32.837 33.888 493 HA CYS 65 HA CYS 65 39.048 32.050 32.178 494 HB2 CYS 65 HB2 CYS 65 36.642 32.595 31.537 495 HB3 CYS 65 HB3 CYS 65 37.138 34.311 31.581 496 H LYS 66 H LYS 66 40.679 33.173 31.154 497 HA LYS 66 HA LYS 66 42.232 35.071 32.551 498 HB2 LYS 66 HB2 LYS 66 43.545 35.233 30.524 499 HB3 LYS 66 HB3 LYS 66 43.108 33.558 30.827 500 HG2 LYS 66 HG2 LYS 66 41.364 33.658 29.098 501 HG3 LYS 66 HG3 LYS 66 41.671 35.366 28.812 502 HD2 LYS 66 HD2 LYS 66 43.766 33.195 28.401 503 HD3 LYS 66 HD3 LYS 66 42.668 33.767 27.132 504 HE2 LYS 66 HE2 LYS 66 43.544 36.070 27.382 505 HE3 LYS 66 HE3 LYS 66 44.639 35.527 28.653 506 HZ1 LYS 66 HZ1 LYS 66 45.739 34.094 27.013 507 HZ2 LYS 66 HZ2 LYS 66 44.745 34.620 25.812 508 HZ3 LYS 66 HZ3 LYS 66 45.801 35.633 26.558 509 HN1 NH2 67 HN1 NH2 67 42.823 37.257 32.081 510 HN2 NH2 67 HN2 NH2 67 41.625 38.366 31.426 Start of MODEL 13 1 H1 LYS 1 H1 LYS 1 12.704 30.413 29.947 2 H2 LYS 1 H2 LYS 1 12.130 31.876 29.444 3 H3 LYS 1 H3 LYS 1 11.492 31.182 30.766 4 HA LYS 1 HA LYS 1 12.819 32.843 31.599 5 HB2 LYS 1 HB2 LYS 1 13.021 30.477 32.568 6 HB3 LYS 1 HB3 LYS 1 14.582 30.370 31.763 7 HG2 LYS 1 HG2 LYS 1 15.445 32.240 33.085 8 HG3 LYS 1 HG3 LYS 1 13.820 32.542 33.768 9 HD2 LYS 1 HD2 LYS 1 13.849 30.298 34.808 10 HD3 LYS 1 HD3 LYS 1 15.468 29.992 34.163 11 HE2 LYS 1 HE2 LYS 1 16.298 31.983 35.433 12 HE3 LYS 1 HE3 LYS 1 14.674 32.202 36.111 13 HZ1 LYS 1 HZ1 LYS 1 14.918 29.894 37.013 14 HZ2 LYS 1 HZ2 LYS 1 16.516 29.933 36.540 15 HZ3 LYS 1 HZ3 LYS 1 15.972 30.992 37.656 16 H GLU 2 H GLU 2 14.713 34.156 31.582 17 HA GLU 2 HA GLU 2 16.331 33.965 29.068 18 HB2 GLU 2 HB2 GLU 2 15.467 36.497 30.510 19 HB3 GLU 2 HB3 GLU 2 16.383 36.347 29.016 20 HG2 GLU 2 HG2 GLU 2 14.438 36.698 27.994 21 HG3 GLU 2 HG3 GLU 2 14.168 34.988 28.254 22 H GLY 3 H GLY 3 18.493 34.755 29.070 23 HA2 GLY 3 HA2 GLY 3 19.910 35.831 31.231 24 HA3 GLY 3 HA3 GLY 3 20.034 34.087 31.422 25 H TYR 4 H TYR 4 22.360 35.598 31.022 26 HA TYR 4 HA TYR 4 22.999 35.787 28.216 27 HB2 TYR 4 HB2 TYR 4 25.305 36.263 28.950 28 HB3 TYR 4 HB3 TYR 4 24.073 37.306 29.629 29 HD1 TYR 4 HD1 TYR 4 23.853 37.594 31.960 30 HD2 TYR 4 HD2 TYR 4 26.255 34.356 30.428 31 HE1 TYR 4 HE1 TYR 4 24.659 37.132 34.236 32 HE2 TYR 4 HE2 TYR 4 27.093 33.903 32.736 33 HH TYR 4 HH TYR 4 25.802 35.621 35.556 34 H LEU 5 H LEU 5 24.445 34.666 26.946 35 HA LEU 5 HA LEU 5 24.505 31.777 27.341 36 HB2 LEU 5 HB2 LEU 5 24.110 32.816 25.131 37 HB3 LEU 5 HB3 LEU 5 25.700 33.572 25.200 38 HG LEU 5 HG LEU 5 26.803 31.356 25.093 39 HD11 LEU 5 HD11 LEU 5 25.401 29.362 24.565 40 HD12 LEU 5 HD12 LEU 5 25.300 29.897 26.237 41 HD13 LEU 5 HD13 LEU 5 23.976 30.273 25.122 42 HD21 LEU 5 HD21 LEU 5 24.649 31.724 22.977 43 HD22 LEU 5 HD22 LEU 5 26.238 32.522 23.005 44 HD23 LEU 5 HD23 LEU 5 26.142 30.767 22.820 45 H VAL 6 H VAL 6 26.110 30.579 28.222 46 HA VAL 6 HA VAL 6 28.878 31.605 28.270 47 HB VAL 6 HB VAL 6 27.902 32.591 30.216 48 HG11 VAL 6 HG11 VAL 6 27.167 29.797 31.186 49 HG12 VAL 6 HG12 VAL 6 27.016 31.314 32.101 50 HG13 VAL 6 HG13 VAL 6 26.024 31.054 30.668 51 HG21 VAL 6 HG21 VAL 6 30.244 31.759 30.322 52 HG22 VAL 6 HG22 VAL 6 29.433 31.853 31.889 53 HG23 VAL 6 HG23 VAL 6 29.650 30.277 31.111 54 H ASP 7 H ASP 7 30.431 30.165 28.236 55 HA ASP 7 HA ASP 7 29.791 27.259 28.496 56 HB2 ASP 7 HB2 ASP 7 30.704 27.713 26.341 57 HB3 ASP 7 HB3 ASP 7 31.975 28.725 27.010 58 H TYR 8 H TYR 8 30.642 26.185 30.161 59 HA TYR 8 HA TYR 8 31.586 27.781 32.374 60 HB2 TYR 8 HB2 TYR 8 31.592 25.722 33.677 61 HB3 TYR 8 HB3 TYR 8 30.096 25.989 32.813 62 HD1 TYR 8 HD1 TYR 8 33.173 23.887 32.943 63 HD2 TYR 8 HD2 TYR 8 29.260 24.411 31.202 64 HE1 TYR 8 HE1 TYR 8 33.227 21.548 32.079 65 HE2 TYR 8 HE2 TYR 8 29.326 22.093 30.342 66 HH TYR 8 HH TYR 8 30.424 20.100 30.409 67 H HIS 9 H HIS 9 33.369 25.907 30.018 68 HA HIS 9 HA HIS 9 35.798 25.654 31.599 69 HB2 HIS 9 HB2 HIS 9 35.287 24.073 29.843 70 HB3 HIS 9 HB3 HIS 9 35.191 25.356 28.635 71 HD2 HIS 9 HD2 HIS 9 37.301 25.673 27.216 72 HE1 HIS 9 HE1 HIS 9 40.253 24.095 29.850 73 HE2 HIS 9 HE2 HIS 9 39.846 25.090 27.544 74 H THR 10 H THR 10 34.613 28.268 29.551 75 HA THR 10 HA THR 10 37.296 29.564 29.481 76 HB THR 10 HB THR 10 36.156 29.623 27.387 77 HG1 THR 10 HG1 THR 10 37.244 31.451 27.742 78 HG21 THR 10 HG21 THR 10 34.019 30.834 27.068 79 HG22 THR 10 HG22 THR 10 33.827 29.382 28.047 80 HG23 THR 10 HG23 THR 10 33.836 30.971 28.833 81 H GLY 11 H GLY 11 37.699 31.623 30.410 82 HA2 GLY 11 HA2 GLY 11 36.612 32.074 32.957 83 HA3 GLY 11 HA3 GLY 11 37.596 33.213 32.043 84 H CYS 12 H CYS 12 35.220 33.252 29.938 85 HA CYS 12 HA CYS 12 33.418 35.099 31.429 86 HB2 CYS 12 HB2 CYS 12 35.007 35.782 28.936 87 HB3 CYS 12 HB3 CYS 12 33.803 36.828 29.689 88 H LYS 13 H LYS 13 31.445 35.713 30.284 89 HA LYS 13 HA LYS 13 30.145 33.785 28.678 90 HB2 LYS 13 HB2 LYS 13 28.413 35.570 28.597 91 HB3 LYS 13 HB3 LYS 13 29.050 35.268 30.201 92 HG2 LYS 13 HG2 LYS 13 30.593 37.310 29.886 93 HG3 LYS 13 HG3 LYS 13 29.761 37.592 28.345 94 HD2 LYS 13 HD2 LYS 13 28.848 39.002 30.044 95 HD3 LYS 13 HD3 LYS 13 27.656 37.796 29.564 96 HE2 LYS 13 HE2 LYS 13 27.891 36.574 31.602 97 HE3 LYS 13 HE3 LYS 13 29.371 37.464 32.035 98 HZ1 LYS 13 HZ1 LYS 13 27.342 38.254 33.250 99 HZ2 LYS 13 HZ2 LYS 13 28.103 39.412 32.405 100 HZ3 LYS 13 HZ3 LYS 13 26.732 38.783 31.790 101 H TYR 14 H TYR 14 28.983 34.275 26.641 102 HA TYR 14 HA TYR 14 30.880 34.647 24.464 103 HB2 TYR 14 HB2 TYR 14 27.961 33.951 24.674 104 HB3 TYR 14 HB3 TYR 14 28.670 34.361 23.128 105 HD1 TYR 14 HD1 TYR 14 29.986 32.850 21.888 106 HD2 TYR 14 HD2 TYR 14 29.024 31.968 26.000 107 HE1 TYR 14 HE1 TYR 14 30.890 30.565 21.612 108 HE2 TYR 14 HE2 TYR 14 29.909 29.656 25.719 109 HH TYR 14 HH TYR 14 30.919 28.445 22.521 110 H THR 15 H THR 15 31.450 36.544 23.532 111 HA THR 15 HA THR 15 29.895 38.991 23.812 112 HB THR 15 HB THR 15 31.619 40.010 22.370 113 HG1 THR 15 HG1 THR 15 32.554 38.673 21.099 114 HG21 THR 15 HG21 THR 15 33.486 39.798 23.909 115 HG22 THR 15 HG22 THR 15 31.960 39.896 24.807 116 HG23 THR 15 HG23 THR 15 32.778 38.332 24.615 117 H CYS 16 H CYS 16 29.295 40.358 21.967 118 HA CYS 16 HA CYS 16 28.843 39.169 19.360 119 HB2 CYS 16 HB2 CYS 16 26.412 39.293 19.373 120 HB3 CYS 16 HB3 CYS 16 26.984 38.211 20.606 121 H ALA 17 H ALA 17 27.469 40.774 17.978 122 HA ALA 17 HA ALA 17 28.851 43.378 18.247 123 HB1 ALA 17 HB1 ALA 17 28.222 43.618 15.876 124 HB2 ALA 17 HB2 ALA 17 29.053 42.106 16.188 125 HB3 ALA 17 HB3 ALA 17 27.295 42.092 15.958 126 H LYS 18 H LYS 18 26.088 43.888 16.397 127 HA LYS 18 HA LYS 18 25.340 46.006 18.234 128 HB2 LYS 18 HB2 LYS 18 23.834 45.278 15.706 129 HB3 LYS 18 HB3 LYS 18 23.990 46.856 16.485 130 HG2 LYS 18 HG2 LYS 18 26.168 45.365 14.976 131 HG3 LYS 18 HG3 LYS 18 25.254 46.757 14.426 132 HD2 LYS 18 HD2 LYS 18 26.250 48.128 16.258 133 HD3 LYS 18 HD3 LYS 18 27.230 46.723 16.753 134 HE2 LYS 18 HE2 LYS 18 28.187 46.575 14.459 135 HE3 LYS 18 HE3 LYS 18 27.214 47.966 13.973 136 HZ1 LYS 18 HZ1 LYS 18 29.480 48.591 14.479 137 HZ2 LYS 18 HZ2 LYS 18 28.450 49.316 15.564 138 HZ3 LYS 18 HZ3 LYS 18 29.373 48.029 16.005 139 H LEU 19 H LEU 19 23.394 46.349 19.392 140 HA LEU 19 HA LEU 19 22.171 43.996 20.305 141 HB2 LEU 19 HB2 LEU 19 20.854 45.252 21.723 142 HB3 LEU 19 HB3 LEU 19 22.407 46.063 21.651 143 HG LEU 19 HG LEU 19 19.943 46.953 20.096 144 HD11 LEU 19 HD11 LEU 19 20.988 47.963 22.773 145 HD12 LEU 19 HD12 LEU 19 19.637 48.656 21.845 146 HD13 LEU 19 HD13 LEU 19 19.492 47.033 22.513 147 HD21 LEU 19 HD21 LEU 19 21.090 49.132 19.973 148 HD22 LEU 19 HD22 LEU 19 22.497 48.445 20.794 149 HD23 LEU 19 HD23 LEU 19 22.020 47.882 19.166 150 H GLY 20 H GLY 20 20.313 42.965 19.970 151 HA2 GLY 20 HA2 GLY 20 18.289 42.371 18.918 152 HA3 GLY 20 HA3 GLY 20 18.419 43.744 17.828 153 H ASP 21 H ASP 21 21.414 42.643 17.335 154 HA ASP 21 HA ASP 21 20.825 40.931 15.049 155 HB2 ASP 21 HB2 ASP 21 22.808 42.455 15.286 156 HB3 ASP 21 HB3 ASP 21 23.417 41.415 16.585 157 H ASN 22 H ASN 22 20.556 38.688 15.064 158 HA ASN 22 HA ASN 22 21.080 37.263 17.666 159 HB2 ASN 22 HB2 ASN 22 18.750 36.383 17.559 160 HB3 ASN 22 HB3 ASN 22 18.846 38.139 17.784 161 HD21 ASN 22 HD21 ASN 22 17.103 38.902 14.823 162 HD22 ASN 22 HD22 ASN 22 17.976 39.512 16.224 163 H ASP 23 H ASP 23 21.135 36.805 14.157 164 HA ASP 23 HA ASP 23 20.717 33.992 14.116 165 HB2 ASP 23 HB2 ASP 23 22.519 35.737 12.405 166 HB3 ASP 23 HB3 ASP 23 22.172 34.045 12.064 167 H TYR 24 H TYR 24 23.769 35.705 14.919 168 HA TYR 24 HA TYR 24 25.291 33.236 15.233 169 HB2 TYR 24 HB2 TYR 24 26.366 35.401 14.792 170 HB3 TYR 24 HB3 TYR 24 25.782 36.032 16.323 171 HD1 TYR 24 HD1 TYR 24 27.130 35.813 18.278 172 HD2 TYR 24 HD2 TYR 24 27.888 33.292 14.860 173 HE1 TYR 24 HE1 TYR 24 29.165 34.908 19.390 174 HE2 TYR 24 HE2 TYR 24 29.908 32.380 15.983 175 HH TYR 24 HH TYR 24 30.935 32.136 18.074 176 H CYS 25 H CYS 25 23.825 35.488 17.662 177 HA CYS 25 HA CYS 25 24.439 33.903 19.902 178 HB2 CYS 25 HB2 CYS 25 22.161 35.863 19.462 179 HB3 CYS 25 HB3 CYS 25 22.588 35.182 21.028 180 H VAL 26 H VAL 26 21.460 33.690 17.892 181 HA VAL 26 HA VAL 26 20.039 31.850 19.594 182 HB VAL 26 HB VAL 26 19.909 32.442 16.612 183 HG11 VAL 26 HG11 VAL 26 18.092 30.594 18.217 184 HG12 VAL 26 HG12 VAL 26 17.704 31.257 16.616 185 HG13 VAL 26 HG13 VAL 26 19.072 30.165 16.794 186 HG21 VAL 26 HG21 VAL 26 19.126 34.186 18.299 187 HG22 VAL 26 HG22 VAL 26 17.890 33.633 17.160 188 HG23 VAL 26 HG23 VAL 26 17.903 33.020 18.822 189 H ARG 27 H ARG 27 22.139 31.290 16.741 190 HA ARG 27 HA ARG 27 21.928 28.418 16.836 191 HB2 ARG 27 HB2 ARG 27 23.709 30.396 15.397 192 HB3 ARG 27 HB3 ARG 27 23.959 28.652 15.258 193 HG2 ARG 27 HG2 ARG 27 21.820 28.254 14.318 194 HG3 ARG 27 HG3 ARG 27 21.198 29.837 14.781 195 HD2 ARG 27 HD2 ARG 27 21.650 29.529 12.335 196 HD3 ARG 27 HD3 ARG 27 22.342 30.956 13.052 197 HE ARG 27 HE ARG 27 23.814 28.490 12.213 198 HH11 ARG 27 HH11 ARG 27 24.073 31.792 13.396 199 HH12 ARG 27 HH12 ARG 27 25.683 31.977 12.697 200 HH21 ARG 27 HH21 ARG 27 25.862 28.811 11.424 201 HH22 ARG 27 HH22 ARG 27 26.736 30.247 11.888 202 H GLU 28 H GLU 28 24.520 30.633 18.042 203 HA GLU 28 HA GLU 28 26.049 28.478 19.188 204 HB2 GLU 28 HB2 GLU 28 25.835 31.409 19.954 205 HB3 GLU 28 HB3 GLU 28 26.982 30.290 20.688 206 HG2 GLU 28 HG2 GLU 28 26.907 31.070 17.752 207 HG3 GLU 28 HG3 GLU 28 28.075 31.599 18.963 208 H CYS 29 H CYS 29 23.323 30.396 20.621 209 HA CYS 29 HA CYS 29 23.609 29.249 23.212 210 HB2 CYS 29 HB2 CYS 29 22.320 31.314 22.697 211 HB3 CYS 29 HB3 CYS 29 21.086 30.335 21.903 212 H ARG 30 H ARG 30 21.551 28.239 20.473 213 HA ARG 30 HA ARG 30 20.565 25.890 21.898 214 HB2 ARG 30 HB2 ARG 30 19.113 25.651 20.115 215 HB3 ARG 30 HB3 ARG 30 19.366 27.375 20.193 216 HG2 ARG 30 HG2 ARG 30 21.117 27.098 18.365 217 HG3 ARG 30 HG3 ARG 30 20.585 25.428 18.179 218 HD2 ARG 30 HD2 ARG 30 18.764 27.873 17.954 219 HD3 ARG 30 HD3 ARG 30 19.537 27.076 16.586 220 HE ARG 30 HE ARG 30 17.611 25.651 18.420 221 HH11 ARG 30 HH11 ARG 30 18.450 26.402 15.056 222 HH12 ARG 30 HH12 ARG 30 17.544 24.989 14.522 223 HH21 ARG 30 HH21 ARG 30 16.135 24.270 17.449 224 HH22 ARG 30 HH22 ARG 30 16.375 23.892 15.745 225 H LEU 31 H LEU 31 23.501 26.378 20.347 226 HA LEU 31 HA LEU 31 23.941 23.423 20.110 227 HB2 LEU 31 HB2 LEU 31 25.569 25.825 19.214 228 HB3 LEU 31 HB3 LEU 31 26.158 24.170 19.122 229 HG LEU 31 HG LEU 31 23.597 25.099 17.740 230 HD11 LEU 31 HD11 LEU 31 24.943 25.114 15.673 231 HD12 LEU 31 HD12 LEU 31 25.546 26.304 16.834 232 HD13 LEU 31 HD13 LEU 31 26.411 24.772 16.614 233 HD21 LEU 31 HD21 LEU 31 23.921 23.051 16.392 234 HD22 LEU 31 HD22 LEU 31 25.313 22.601 17.399 235 HD23 LEU 31 HD23 LEU 31 23.676 22.667 18.096 236 H ARG 32 H ARG 32 24.736 26.150 22.182 237 HA ARG 32 HA ARG 32 26.683 24.667 23.782 238 HB2 ARG 32 HB2 ARG 32 26.437 27.237 23.560 239 HB3 ARG 32 HB3 ARG 32 25.028 27.112 24.583 240 HG2 ARG 32 HG2 ARG 32 27.118 27.820 25.751 241 HG3 ARG 32 HG3 ARG 32 26.370 26.387 26.456 242 HD2 ARG 32 HD2 ARG 32 28.888 26.334 26.262 243 HD3 ARG 32 HD3 ARG 32 28.018 24.942 25.616 244 HE ARG 32 HE ARG 32 28.647 27.016 23.610 245 HH11 ARG 32 HH11 ARG 32 29.752 23.981 25.067 246 HH12 ARG 32 HH12 ARG 32 30.792 23.638 23.724 247 HH21 ARG 32 HH21 ARG 32 29.886 26.421 21.885 248 HH22 ARG 32 HH22 ARG 32 30.726 24.884 21.888 249 H TYR 33 H TYR 33 23.264 25.525 24.119 250 HA TYR 33 HA TYR 33 22.880 23.477 26.263 251 HB2 TYR 33 HB2 TYR 33 21.006 25.697 25.415 252 HB3 TYR 33 HB3 TYR 33 20.928 24.740 26.883 253 HD1 TYR 33 HD1 TYR 33 20.825 27.796 26.485 254 HD2 TYR 33 HD2 TYR 33 24.013 25.108 27.612 255 HE1 TYR 33 HE1 TYR 33 21.994 29.665 27.651 256 HE2 TYR 33 HE2 TYR 33 25.189 26.999 28.741 257 HH TYR 33 HH TYR 33 23.706 30.014 29.394 258 H TYR 34 H TYR 34 20.273 22.915 26.008 259 HA TYR 34 HA TYR 34 19.871 21.198 23.850 260 HB2 TYR 34 HB2 TYR 34 17.652 21.024 24.578 261 HB3 TYR 34 HB3 TYR 34 18.647 21.225 25.993 262 HD1 TYR 34 HD1 TYR 34 15.756 21.388 26.053 263 HD2 TYR 34 HD2 TYR 34 18.642 24.538 25.459 264 HE1 TYR 34 HE1 TYR 34 14.132 23.047 26.905 265 HE2 TYR 34 HE2 TYR 34 17.009 26.185 26.297 266 HH TYR 34 HH TYR 34 13.635 25.313 27.029 267 H GLN 35 H GLN 35 18.861 21.255 21.859 268 HA GLN 35 HA GLN 35 19.143 23.612 20.409 269 HB2 GLN 35 HB2 GLN 35 18.322 22.485 18.512 270 HB3 GLN 35 HB3 GLN 35 19.298 21.377 19.474 271 HG2 GLN 35 HG2 GLN 35 17.232 20.296 20.332 272 HG3 GLN 35 HG3 GLN 35 16.241 21.456 19.439 273 HE21 GLN 35 HE21 GLN 35 17.934 18.333 17.455 274 HE22 GLN 35 HE22 GLN 35 17.960 18.441 19.199 275 H SER 36 H SER 36 16.398 22.820 22.315 276 HA SER 36 HA SER 36 14.437 24.449 20.957 277 HB2 SER 36 HB2 SER 36 14.616 23.535 23.851 278 HB3 SER 36 HB3 SER 36 13.195 24.267 23.083 279 HG SER 36 HG SER 36 14.408 21.742 22.602 280 H ALA 37 H ALA 37 17.244 25.459 22.666 281 HA ALA 37 HA ALA 37 16.235 27.869 23.839 282 HB1 ALA 37 HB1 ALA 37 18.576 28.551 23.897 283 HB2 ALA 37 HB2 ALA 37 18.439 26.841 24.345 284 HB3 ALA 37 HB3 ALA 37 19.004 27.294 22.726 285 H HIS 38 H HIS 38 16.629 30.082 23.208 286 HA HIS 38 HA HIS 38 17.181 30.776 20.425 287 HB2 HIS 38 HB2 HIS 38 14.615 30.352 20.758 288 HB3 HIS 38 HB3 HIS 38 14.630 31.879 21.627 289 HD2 HIS 38 HD2 HIS 38 15.107 30.338 18.126 290 HE1 HIS 38 HE1 HIS 38 14.999 34.558 17.532 291 HE2 HIS 38 HE2 HIS 38 15.072 32.293 16.358 292 H GLY 39 H GLY 39 16.770 33.567 20.534 293 HA2 GLY 39 HA2 GLY 39 17.385 34.937 22.860 294 HA3 GLY 39 HA3 GLY 39 18.943 34.307 22.344 295 H TYR 40 H TYR 40 19.330 36.682 22.492 296 HA TYR 40 HA TYR 40 19.722 37.622 19.786 297 HB2 TYR 40 HB2 TYR 40 18.725 39.828 20.031 298 HB3 TYR 40 HB3 TYR 40 17.515 38.586 20.118 299 HD1 TYR 40 HD1 TYR 40 18.789 41.525 21.680 300 HD2 TYR 40 HD2 TYR 40 16.657 37.879 22.515 301 HE1 TYR 40 HE1 TYR 40 17.952 42.505 23.790 302 HE2 TYR 40 HE2 TYR 40 15.809 38.880 24.635 303 HH TYR 40 HH TYR 40 16.815 42.060 25.822 304 H CYS 41 H CYS 41 21.013 39.728 19.785 305 HA CYS 41 HA CYS 41 23.089 39.636 21.889 306 HB2 CYS 41 HB2 CYS 41 23.741 39.758 19.510 307 HB3 CYS 41 HB3 CYS 41 22.884 41.288 19.354 308 H TYR 42 H TYR 42 23.388 41.193 23.452 309 HA TYR 42 HA TYR 42 22.085 43.822 23.264 310 HB2 TYR 42 HB2 TYR 42 20.335 42.446 24.254 311 HB3 TYR 42 HB3 TYR 42 21.466 41.765 25.414 312 HD1 TYR 42 HD1 TYR 42 19.936 45.050 24.367 313 HD2 TYR 42 HD2 TYR 42 21.638 42.702 27.562 314 HE1 TYR 42 HE1 TYR 42 19.267 46.793 26.021 315 HE2 TYR 42 HE2 TYR 42 20.959 44.439 29.196 316 HH TYR 42 HH TYR 42 19.588 46.281 29.507 317 H ALA 43 H ALA 43 23.396 45.383 24.193 318 HA ALA 43 HA ALA 43 25.361 46.246 24.928 319 HB1 ALA 43 HB1 ALA 43 25.622 45.999 27.362 320 HB2 ALA 43 HB2 ALA 43 23.925 46.203 26.890 321 HB3 ALA 43 HB3 ALA 43 24.520 44.604 27.345 322 H PHE 44 H PHE 44 26.069 44.404 23.195 323 HA PHE 44 HA PHE 44 27.676 43.140 22.371 324 HB2 PHE 44 HB2 PHE 44 29.519 44.163 24.495 325 HB3 PHE 44 HB3 PHE 44 29.910 43.724 22.844 326 HD1 PHE 44 HD1 PHE 44 29.778 46.448 24.877 327 HD2 PHE 44 HD2 PHE 44 28.165 45.151 21.106 328 HE1 PHE 44 HE1 PHE 44 29.515 48.810 24.185 329 HE2 PHE 44 HE2 PHE 44 27.804 47.517 20.450 330 HZ PHE 44 HZ PHE 44 28.474 49.352 21.990 331 H ALA 45 H ALA 45 26.139 41.705 24.578 332 HA ALA 45 HA ALA 45 27.746 39.303 24.207 333 HB1 ALA 45 HB1 ALA 45 28.617 40.007 26.366 334 HB2 ALA 45 HB2 ALA 45 26.974 40.111 27.037 335 HB3 ALA 45 HB3 ALA 45 27.639 38.546 26.549 336 H CYS 46 H CYS 46 26.586 37.395 24.137 337 HA CYS 46 HA CYS 46 23.919 37.774 23.149 338 HB2 CYS 46 HB2 CYS 46 25.502 35.284 23.815 339 HB3 CYS 46 HB3 CYS 46 23.918 35.243 23.053 340 H TRP 47 H TRP 47 21.995 37.741 24.091 341 HA TRP 47 HA TRP 47 21.629 36.611 26.835 342 HB2 TRP 47 HB2 TRP 47 21.409 39.072 26.593 343 HB3 TRP 47 HB3 TRP 47 20.121 38.829 25.426 344 HD1 TRP 47 HD1 TRP 47 17.758 38.536 26.331 345 HE1 TRP 47 HE1 TRP 47 16.642 38.624 28.645 346 HE3 TRP 47 HE3 TRP 47 21.966 38.342 29.311 347 HZ2 TRP 47 HZ2 TRP 47 17.446 38.535 31.385 348 HZ3 TRP 47 HZ3 TRP 47 21.723 38.445 31.766 349 HH2 TRP 47 HH2 TRP 47 19.484 38.521 32.818 350 H CYS 48 H CYS 48 20.775 34.654 26.698 351 HA CYS 48 HA CYS 48 19.241 33.697 24.398 352 HB2 CYS 48 HB2 CYS 48 19.912 32.484 27.080 353 HB3 CYS 48 HB3 CYS 48 19.089 31.638 25.772 354 H THR 49 H THR 49 17.081 32.960 24.528 355 HA THR 49 HA THR 49 15.422 33.800 26.840 356 HB THR 49 HB THR 49 13.701 34.751 25.482 357 HG1 THR 49 HG1 THR 49 13.811 33.668 23.614 358 HG21 THR 49 HG21 THR 49 15.629 36.273 26.107 359 HG22 THR 49 HG22 THR 49 16.264 36.041 24.474 360 HG23 THR 49 HG23 THR 49 14.665 36.784 24.711 361 H HIS 50 H HIS 50 13.280 32.790 26.850 362 HA HIS 50 HA HIS 50 11.960 31.004 26.887 363 HB2 HIS 50 HB2 HIS 50 12.963 30.304 24.122 364 HB3 HIS 50 HB3 HIS 50 11.465 29.777 24.883 365 HD2 HIS 50 HD2 HIS 50 9.437 31.508 25.026 366 HE1 HIS 50 HE1 HIS 50 11.210 34.708 22.851 367 HE2 HIS 50 HE2 HIS 50 9.055 33.850 23.873 368 H LEU 51 H LEU 51 14.781 30.739 27.851 369 HA LEU 51 HA LEU 51 15.521 27.934 27.637 370 HB2 LEU 51 HB2 LEU 51 16.307 30.022 29.715 371 HB3 LEU 51 HB3 LEU 51 17.056 28.454 29.489 372 HG LEU 51 HG LEU 51 17.177 30.786 27.531 373 HD11 LEU 51 HD11 LEU 51 18.561 31.084 29.517 374 HD12 LEU 51 HD12 LEU 51 19.208 29.432 29.374 375 HD13 LEU 51 HD13 LEU 51 19.616 30.645 28.165 376 HD21 LEU 51 HD21 LEU 51 18.822 29.352 26.316 377 HD22 LEU 51 HD22 LEU 51 18.394 27.987 27.371 378 HD23 LEU 51 HD23 LEU 51 17.186 28.694 26.262 379 H TYR 52 H TYR 52 15.532 26.428 29.316 380 HA TYR 52 HA TYR 52 13.208 26.017 30.837 381 HB2 TYR 52 HB2 TYR 52 14.807 24.339 32.057 382 HB3 TYR 52 HB3 TYR 52 14.341 24.109 30.395 383 HD1 TYR 52 HD1 TYR 52 17.107 26.200 31.948 384 HD2 TYR 52 HD2 TYR 52 16.037 23.006 29.272 385 HE1 TYR 52 HE1 TYR 52 19.473 25.983 31.276 386 HE2 TYR 52 HE2 TYR 52 18.408 22.789 28.595 387 HH TYR 52 HH TYR 52 20.956 24.944 29.897 388 H GLU 53 H GLU 53 12.945 25.759 33.121 389 HA GLU 53 HA GLU 53 13.452 28.051 34.714 390 HB2 GLU 53 HB2 GLU 53 12.730 25.203 35.446 391 HB3 GLU 53 HB3 GLU 53 12.669 26.536 36.590 392 HG2 GLU 53 HG2 GLU 53 11.045 26.469 33.992 393 HG3 GLU 53 HG3 GLU 53 10.460 25.835 35.533 394 H GLN 54 H GLN 54 15.524 25.294 34.143 395 HA GLN 54 HA GLN 54 17.161 25.633 36.533 396 HB2 GLN 54 HB2 GLN 54 17.558 24.010 33.988 397 HB3 GLN 54 HB3 GLN 54 18.672 24.013 35.346 398 HG2 GLN 54 HG2 GLN 54 17.313 22.111 35.667 399 HG3 GLN 54 HG3 GLN 54 16.810 23.294 36.870 400 HE21 GLN 54 HE21 GLN 54 13.432 22.872 35.825 401 HE22 GLN 54 HE22 GLN 54 14.569 23.212 37.124 402 H ALA 55 H ALA 55 16.995 27.620 33.815 403 HA ALA 55 HA ALA 55 19.800 28.228 33.462 404 HB1 ALA 55 HB1 ALA 55 18.076 28.664 31.749 405 HB2 ALA 55 HB2 ALA 55 17.333 29.881 32.812 406 HB3 ALA 55 HB3 ALA 55 18.972 30.131 32.185 407 H VAL 56 H VAL 56 21.019 29.878 34.302 408 HA VAL 56 HA VAL 56 20.075 31.398 36.696 409 HB VAL 56 HB VAL 56 22.393 29.442 36.501 410 HG11 VAL 56 HG11 VAL 56 21.962 31.486 38.689 411 HG12 VAL 56 HG12 VAL 56 23.079 30.110 38.773 412 HG13 VAL 56 HG13 VAL 56 23.362 31.387 37.600 413 HG21 VAL 56 HG21 VAL 56 20.112 29.725 38.505 414 HG22 VAL 56 HG22 VAL 56 20.228 28.490 37.235 415 HG23 VAL 56 HG23 VAL 56 21.399 28.499 38.555 416 H VAL 57 H VAL 57 21.029 33.406 36.960 417 HA VAL 57 HA VAL 57 23.063 34.238 34.912 418 HB VAL 57 HB VAL 57 22.301 36.561 35.234 419 HG11 VAL 57 HG11 VAL 57 21.576 35.171 33.337 420 HG12 VAL 57 HG12 VAL 57 20.150 34.649 34.261 421 HG13 VAL 57 HG13 VAL 57 20.351 36.352 33.818 422 HG21 VAL 57 HG21 VAL 57 19.876 35.355 36.649 423 HG22 VAL 57 HG22 VAL 57 21.166 36.271 37.460 424 HG23 VAL 57 HG23 VAL 57 20.171 37.052 36.228 425 H TRP 58 H TRP 58 22.988 33.485 38.209 426 HA TRP 58 HA TRP 58 25.019 35.352 39.020 427 HB2 TRP 58 HB2 TRP 58 24.604 32.541 40.045 428 HB3 TRP 58 HB3 TRP 58 25.472 33.844 40.850 429 HD1 TRP 58 HD1 TRP 58 23.640 36.201 40.917 430 HE1 TRP 58 HE1 TRP 58 21.232 36.251 41.804 431 HE3 TRP 58 HE3 TRP 58 22.708 31.156 41.078 432 HZ2 TRP 58 HZ2 TRP 58 19.064 34.397 42.068 433 HZ3 TRP 58 HZ3 TRP 58 20.431 30.335 41.624 434 HH2 TRP 58 HH2 TRP 58 18.585 31.937 42.083 435 HA PRO 59 HA PRO 59 28.425 33.922 36.546 436 HB2 PRO 59 HB2 PRO 59 30.145 34.654 38.919 437 HB3 PRO 59 HB3 PRO 59 30.381 35.059 37.187 438 HG2 PRO 59 HG2 PRO 59 29.358 36.903 38.880 439 HG3 PRO 59 HG3 PRO 59 28.618 36.679 37.259 440 HD2 PRO 59 HD2 PRO 59 27.677 35.573 39.921 441 HD3 PRO 59 HD3 PRO 59 26.746 36.364 38.609 442 H LEU 60 H LEU 60 29.888 32.233 36.235 443 HA LEU 60 HA LEU 60 29.255 29.805 37.449 444 HB2 LEU 60 HB2 LEU 60 31.469 30.751 35.618 445 HB3 LEU 60 HB3 LEU 60 31.552 29.130 36.261 446 HG LEU 60 HG LEU 60 30.603 29.255 33.991 447 HD11 LEU 60 HD11 LEU 60 28.798 27.669 34.356 448 HD12 LEU 60 HD12 LEU 60 30.132 27.339 35.473 449 HD13 LEU 60 HD13 LEU 60 28.657 28.150 36.053 450 HD21 LEU 60 HD21 LEU 60 29.269 31.338 34.219 451 HD22 LEU 60 HD22 LEU 60 28.335 29.970 33.592 452 HD23 LEU 60 HD23 LEU 60 28.122 30.469 35.274 453 HA PRO 61 HA PRO 61 32.020 29.633 40.992 454 HB2 PRO 61 HB2 PRO 61 31.874 26.991 41.635 455 HB3 PRO 61 HB3 PRO 61 30.493 28.108 41.854 456 HG2 PRO 61 HG2 PRO 61 31.009 26.236 39.523 457 HG3 PRO 61 HG3 PRO 61 29.503 26.416 40.480 458 HD2 PRO 61 HD2 PRO 61 29.891 27.689 38.096 459 HD3 PRO 61 HD3 PRO 61 28.982 28.460 39.430 460 H ASN 62 H ASN 62 32.575 27.877 38.017 461 HA ASN 62 HA ASN 62 35.052 26.666 38.597 462 HB2 ASN 62 HB2 ASN 62 33.900 27.535 35.912 463 HB3 ASN 62 HB3 ASN 62 35.237 26.424 36.139 464 HD21 ASN 62 HD21 ASN 62 33.116 23.662 36.486 465 HD22 ASN 62 HD22 ASN 62 34.624 24.334 35.880 466 H LYS 63 H LYS 63 34.697 29.542 36.411 467 HA LYS 63 HA LYS 63 37.411 30.467 37.310 468 HB2 LYS 63 HB2 LYS 63 36.230 30.443 34.513 469 HB3 LYS 63 HB3 LYS 63 37.749 31.215 34.987 470 HG2 LYS 63 HG2 LYS 63 38.585 28.971 35.768 471 HG3 LYS 63 HG3 LYS 63 37.126 28.234 35.074 472 HD2 LYS 63 HD2 LYS 63 37.709 29.133 32.859 473 HD3 LYS 63 HD3 LYS 63 39.146 29.928 33.544 474 HE2 LYS 63 HE2 LYS 63 40.120 27.777 34.160 475 HE3 LYS 63 HE3 LYS 63 38.656 26.926 33.640 476 HZ1 LYS 63 HZ1 LYS 63 39.065 27.591 31.397 477 HZ2 LYS 63 HZ2 LYS 63 40.379 28.504 31.810 478 HZ3 LYS 63 HZ3 LYS 63 40.437 26.877 31.954 479 H ARG 64 H ARG 64 37.845 32.637 37.356 480 HA ARG 64 HA ARG 64 35.531 34.517 37.455 481 HB2 ARG 64 HB2 ARG 64 38.466 34.968 38.131 482 HB3 ARG 64 HB3 ARG 64 37.159 36.101 38.454 483 HG2 ARG 64 HG2 ARG 64 37.257 33.320 39.690 484 HG3 ARG 64 HG3 ARG 64 38.093 34.683 40.391 485 HD2 ARG 64 HD2 ARG 64 35.917 34.200 41.473 486 HD3 ARG 64 HD3 ARG 64 36.095 35.857 40.896 487 HE ARG 64 HE ARG 64 34.303 35.576 39.501 488 HH11 ARG 64 HH11 ARG 64 35.120 32.295 40.610 489 HH12 ARG 64 HH12 ARG 64 33.708 31.669 39.758 490 HH21 ARG 64 HH21 ARG 64 32.918 34.514 38.142 491 HH22 ARG 64 HH22 ARG 64 32.570 32.817 38.464 492 H CYS 65 H CYS 65 35.069 36.038 36.007 493 HA CYS 65 HA CYS 65 36.655 36.184 33.556 494 HB2 CYS 65 HB2 CYS 65 34.194 36.286 33.493 495 HB3 CYS 65 HB3 CYS 65 34.222 37.785 34.407 496 H LYS 66 H LYS 66 37.930 37.845 32.819 497 HA LYS 66 HA LYS 66 38.190 40.371 34.206 498 HB2 LYS 66 HB2 LYS 66 40.491 40.284 34.833 499 HB3 LYS 66 HB3 LYS 66 39.607 39.005 35.646 500 HG2 LYS 66 HG2 LYS 66 40.542 37.361 33.953 501 HG3 LYS 66 HG3 LYS 66 41.519 38.693 33.294 502 HD2 LYS 66 HD2 LYS 66 42.447 39.067 35.609 503 HD3 LYS 66 HD3 LYS 66 41.566 37.620 36.153 504 HE2 LYS 66 HE2 LYS 66 42.850 36.261 34.520 505 HE3 LYS 66 HE3 LYS 66 43.722 37.713 34.003 506 HZ1 LYS 66 HZ1 LYS 66 44.530 37.914 36.331 507 HZ2 LYS 66 HZ2 LYS 66 43.794 36.490 36.704 508 HZ3 LYS 66 HZ3 LYS 66 45.021 36.513 35.609 509 HN1 NH2 67 HN1 NH2 67 40.077 41.713 33.099 510 HN2 NH2 67 HN2 NH2 67 40.043 41.582 31.343 Start of MODEL 14 1 H1 LYS 1 H1 LYS 1 12.132 30.079 31.734 2 H2 LYS 1 H2 LYS 1 13.369 29.588 30.775 3 H3 LYS 1 H3 LYS 1 12.329 30.764 30.255 4 HA LYS 1 HA LYS 1 13.024 32.189 32.115 5 HB2 LYS 1 HB2 LYS 1 13.912 30.306 33.488 6 HB3 LYS 1 HB3 LYS 1 15.263 30.135 32.373 7 HG2 LYS 1 HG2 LYS 1 16.155 32.304 32.974 8 HG3 LYS 1 HG3 LYS 1 14.721 32.676 33.951 9 HD2 LYS 1 HD2 LYS 1 15.253 30.793 35.467 10 HD3 LYS 1 HD3 LYS 1 16.681 30.391 34.493 11 HE2 LYS 1 HE2 LYS 1 17.694 32.574 35.014 12 HE3 LYS 1 HE3 LYS 1 16.239 33.074 35.882 13 HZ1 LYS 1 HZ1 LYS 1 17.967 32.300 37.384 14 HZ2 LYS 1 HZ2 LYS 1 16.632 31.355 37.506 15 HZ3 LYS 1 HZ3 LYS 1 17.967 30.793 36.719 16 H GLU 2 H GLU 2 14.514 33.893 31.625 17 HA GLU 2 HA GLU 2 16.083 33.528 29.099 18 HB2 GLU 2 HB2 GLU 2 14.800 36.140 29.956 19 HB3 GLU 2 HB3 GLU 2 15.644 35.758 28.467 20 HG2 GLU 2 HG2 GLU 2 13.477 35.655 27.738 21 HG3 GLU 2 HG3 GLU 2 13.793 33.963 28.082 22 H GLY 3 H GLY 3 18.178 34.355 29.041 23 HA2 GLY 3 HA2 GLY 3 19.213 36.156 31.039 24 HA3 GLY 3 HA3 GLY 3 19.606 34.492 31.454 25 H TYR 4 H TYR 4 21.566 36.134 31.208 26 HA TYR 4 HA TYR 4 22.869 36.555 28.713 27 HB2 TYR 4 HB2 TYR 4 23.171 37.798 30.810 28 HB3 TYR 4 HB3 TYR 4 23.799 36.374 31.605 29 HD1 TYR 4 HD1 TYR 4 26.095 35.593 31.205 30 HD2 TYR 4 HD2 TYR 4 24.531 39.136 29.306 31 HE1 TYR 4 HE1 TYR 4 28.408 36.490 30.967 32 HE2 TYR 4 HE2 TYR 4 26.826 40.030 29.071 33 HH TYR 4 HH TYR 4 29.059 39.682 29.474 34 H LEU 5 H LEU 5 24.203 35.258 27.463 35 HA LEU 5 HA LEU 5 24.421 32.438 28.189 36 HB2 LEU 5 HB2 LEU 5 24.039 33.558 25.816 37 HB3 LEU 5 HB3 LEU 5 25.788 33.654 25.801 38 HG LEU 5 HG LEU 5 25.579 31.014 26.504 39 HD11 LEU 5 HD11 LEU 5 23.628 29.989 25.543 40 HD12 LEU 5 HD12 LEU 5 23.052 31.266 26.635 41 HD13 LEU 5 HD13 LEU 5 23.058 31.533 24.884 42 HD21 LEU 5 HD21 LEU 5 26.664 31.809 24.430 43 HD22 LEU 5 HD22 LEU 5 25.584 30.461 24.062 44 HD23 LEU 5 HD23 LEU 5 25.083 32.120 23.687 45 H VAL 6 H VAL 6 25.986 31.573 29.379 46 HA VAL 6 HA VAL 6 28.751 32.691 29.270 47 HB VAL 6 HB VAL 6 27.421 33.560 31.231 48 HG11 VAL 6 HG11 VAL 6 26.206 31.465 31.832 49 HG12 VAL 6 HG12 VAL 6 27.745 30.734 32.334 50 HG13 VAL 6 HG13 VAL 6 27.115 32.151 33.189 51 HG21 VAL 6 HG21 VAL 6 29.906 31.945 31.883 52 HG22 VAL 6 HG22 VAL 6 29.868 33.585 31.191 53 HG23 VAL 6 HG23 VAL 6 29.252 33.298 32.820 54 H ASP 7 H ASP 7 30.440 31.279 29.614 55 HA ASP 7 HA ASP 7 30.102 28.551 28.792 56 HB2 ASP 7 HB2 ASP 7 32.168 29.721 28.358 57 HB3 ASP 7 HB3 ASP 7 32.394 30.071 30.072 58 H TYR 8 H TYR 8 29.268 26.975 29.913 59 HA TYR 8 HA TYR 8 28.724 26.789 32.653 60 HB2 TYR 8 HB2 TYR 8 28.169 24.515 32.170 61 HB3 TYR 8 HB3 TYR 8 27.771 25.430 30.722 62 HD1 TYR 8 HD1 TYR 8 29.762 22.721 32.129 63 HD2 TYR 8 HD2 TYR 8 29.413 25.348 28.727 64 HE1 TYR 8 HE1 TYR 8 31.287 21.244 30.820 65 HE2 TYR 8 HE2 TYR 8 30.919 23.875 27.426 66 HH TYR 8 HH TYR 8 31.820 21.689 27.380 67 H HIS 9 H HIS 9 31.768 26.095 31.009 68 HA HIS 9 HA HIS 9 32.738 24.293 33.089 69 HB2 HIS 9 HB2 HIS 9 33.063 24.236 30.495 70 HB3 HIS 9 HB3 HIS 9 34.371 25.374 30.791 71 HD2 HIS 9 HD2 HIS 9 33.837 21.862 30.258 72 HE1 HIS 9 HE1 HIS 9 37.256 21.847 32.789 73 HE2 HIS 9 HE2 HIS 9 35.871 20.472 31.130 74 H THR 10 H THR 10 33.614 27.575 31.978 75 HA THR 10 HA THR 10 35.177 28.006 34.503 76 HB THR 10 HB THR 10 36.955 29.036 33.263 77 HG1 THR 10 HG1 THR 10 35.337 28.469 30.999 78 HG21 THR 10 HG21 THR 10 37.010 26.555 33.598 79 HG22 THR 10 HG22 THR 10 36.392 26.375 31.938 80 HG23 THR 10 HG23 THR 10 37.968 27.148 32.234 81 H GLY 11 H GLY 11 32.656 29.259 32.786 82 HA2 GLY 11 HA2 GLY 11 31.453 31.159 33.275 83 HA3 GLY 11 HA3 GLY 11 32.760 31.743 34.291 84 H CYS 12 H CYS 12 33.865 31.136 31.078 85 HA CYS 12 HA CYS 12 34.335 33.858 30.405 86 HB2 CYS 12 HB2 CYS 12 33.980 31.488 28.534 87 HB3 CYS 12 HB3 CYS 12 34.766 33.013 28.146 88 H LYS 13 H LYS 13 33.267 35.367 29.175 89 HA LYS 13 HA LYS 13 30.367 35.018 28.785 90 HB2 LYS 13 HB2 LYS 13 30.281 37.344 28.382 91 HB3 LYS 13 HB3 LYS 13 31.353 37.077 29.753 92 HG2 LYS 13 HG2 LYS 13 33.079 37.132 27.515 93 HG3 LYS 13 HG3 LYS 13 31.855 38.327 27.124 94 HD2 LYS 13 HD2 LYS 13 33.628 38.255 29.602 95 HD3 LYS 13 HD3 LYS 13 33.782 39.332 28.205 96 HE2 LYS 13 HE2 LYS 13 31.504 40.261 28.779 97 HE3 LYS 13 HE3 LYS 13 31.547 39.310 30.272 98 HZ1 LYS 13 HZ1 LYS 13 33.404 41.474 29.463 99 HZ2 LYS 13 HZ2 LYS 13 32.359 41.481 30.751 100 HZ3 LYS 13 HZ3 LYS 13 33.701 40.519 30.750 101 H TYR 14 H TYR 14 29.203 35.424 26.833 102 HA TYR 14 HA TYR 14 30.728 34.884 24.306 103 HB2 TYR 14 HB2 TYR 14 27.912 34.246 25.166 104 HB3 TYR 14 HB3 TYR 14 28.371 34.308 23.471 105 HD1 TYR 14 HD1 TYR 14 29.916 32.727 22.471 106 HD2 TYR 14 HD2 TYR 14 28.819 32.416 26.633 107 HE1 TYR 14 HE1 TYR 14 30.825 30.419 22.542 108 HE2 TYR 14 HE2 TYR 14 29.717 30.087 26.693 109 HH TYR 14 HH TYR 14 30.729 28.371 25.470 110 H THR 15 H THR 15 31.350 36.842 23.578 111 HA THR 15 HA THR 15 29.632 39.187 23.610 112 HB THR 15 HB THR 15 31.345 40.337 22.405 113 HG1 THR 15 HG1 THR 15 32.754 37.894 22.270 114 HG21 THR 15 HG21 THR 15 31.711 40.092 24.805 115 HG22 THR 15 HG22 THR 15 32.587 38.569 24.550 116 HG23 THR 15 HG23 THR 15 33.246 40.095 23.923 117 H CYS 16 H CYS 16 29.147 40.465 21.654 118 HA CYS 16 HA CYS 16 28.610 39.068 19.128 119 HB2 CYS 16 HB2 CYS 16 26.785 38.329 20.607 120 HB3 CYS 16 HB3 CYS 16 26.446 40.006 21.046 121 H ALA 17 H ALA 17 27.705 40.558 17.514 122 HA ALA 17 HA ALA 17 28.705 43.203 17.400 123 HB1 ALA 17 HB1 ALA 17 28.135 41.737 15.477 124 HB2 ALA 17 HB2 ALA 17 26.415 41.845 15.901 125 HB3 ALA 17 HB3 ALA 17 27.301 43.281 15.356 126 H LYS 18 H LYS 18 27.165 45.016 16.686 127 HA LYS 18 HA LYS 18 25.550 46.090 18.761 128 HB2 LYS 18 HB2 LYS 18 26.687 47.252 16.791 129 HB3 LYS 18 HB3 LYS 18 25.357 46.682 15.777 130 HG2 LYS 18 HG2 LYS 18 23.751 47.995 17.093 131 HG3 LYS 18 HG3 LYS 18 25.031 48.457 18.237 132 HD2 LYS 18 HD2 LYS 18 26.221 49.658 16.426 133 HD3 LYS 18 HD3 LYS 18 24.974 49.150 15.260 134 HE2 LYS 18 HE2 LYS 18 23.248 50.325 16.582 135 HE3 LYS 18 HE3 LYS 18 24.465 50.833 17.758 136 HZ1 LYS 18 HZ1 LYS 18 23.971 52.569 16.110 137 HZ2 LYS 18 HZ2 LYS 18 25.547 52.109 15.979 138 HZ3 LYS 18 HZ3 LYS 18 24.427 51.601 14.890 139 H LEU 19 H LEU 19 23.295 46.527 18.764 140 HA LEU 19 HA LEU 19 21.724 44.316 19.061 141 HB2 LEU 19 HB2 LEU 19 20.737 47.119 18.402 142 HB3 LEU 19 HB3 LEU 19 19.822 45.884 19.253 143 HG LEU 19 HG LEU 19 22.353 47.222 20.307 144 HD11 LEU 19 HD11 LEU 19 19.429 47.600 21.071 145 HD12 LEU 19 HD12 LEU 19 20.831 48.374 21.849 146 HD13 LEU 19 HD13 LEU 19 20.430 48.759 20.170 147 HD21 LEU 19 HD21 LEU 19 20.378 45.342 21.675 148 HD22 LEU 19 HD22 LEU 19 22.058 44.953 21.248 149 HD23 LEU 19 HD23 LEU 19 21.727 46.195 22.464 150 H GLY 20 H GLY 20 19.681 43.652 18.152 151 HA2 GLY 20 HA2 GLY 20 18.124 43.150 16.545 152 HA3 GLY 20 HA3 GLY 20 18.860 44.323 15.466 153 H ASP 21 H ASP 21 21.460 43.128 15.309 154 HA ASP 21 HA ASP 21 21.090 40.999 13.364 155 HB2 ASP 21 HB2 ASP 21 22.801 42.731 13.102 156 HB3 ASP 21 HB3 ASP 21 23.572 42.258 14.618 157 H ASN 22 H ASN 22 19.923 39.550 14.935 158 HA ASN 22 HA ASN 22 21.403 38.412 17.160 159 HB2 ASN 22 HB2 ASN 22 19.289 37.447 17.724 160 HB3 ASN 22 HB3 ASN 22 18.983 39.108 17.215 161 HD21 ASN 22 HD21 ASN 22 17.018 36.142 15.496 162 HD22 ASN 22 HD22 ASN 22 17.678 36.169 17.146 163 H ASP 23 H ASP 23 21.043 37.241 13.879 164 HA ASP 23 HA ASP 23 20.472 34.554 14.468 165 HB2 ASP 23 HB2 ASP 23 20.690 34.080 12.239 166 HB3 ASP 23 HB3 ASP 23 20.274 35.777 12.242 167 H TYR 24 H TYR 24 23.682 36.001 14.601 168 HA TYR 24 HA TYR 24 25.130 33.464 14.666 169 HB2 TYR 24 HB2 TYR 24 26.403 35.363 14.078 170 HB3 TYR 24 HB3 TYR 24 25.781 36.326 15.398 171 HD1 TYR 24 HD1 TYR 24 28.212 33.715 14.471 172 HD2 TYR 24 HD2 TYR 24 26.644 36.137 17.676 173 HE1 TYR 24 HE1 TYR 24 30.115 33.044 15.913 174 HE2 TYR 24 HE2 TYR 24 28.540 35.438 19.133 175 HH TYR 24 HH TYR 24 30.924 33.005 18.052 176 H CYS 25 H CYS 25 23.789 35.683 17.151 177 HA CYS 25 HA CYS 25 24.553 34.034 19.399 178 HB2 CYS 25 HB2 CYS 25 24.232 36.330 19.744 179 HB3 CYS 25 HB3 CYS 25 22.643 36.326 18.981 180 H VAL 26 H VAL 26 21.550 34.101 17.393 181 HA VAL 26 HA VAL 26 20.053 32.221 18.947 182 HB VAL 26 HB VAL 26 20.161 32.623 15.932 183 HG11 VAL 26 HG11 VAL 26 18.211 30.946 17.578 184 HG12 VAL 26 HG12 VAL 26 17.941 31.449 15.898 185 HG13 VAL 26 HG13 VAL 26 19.280 30.373 16.274 186 HG21 VAL 26 HG21 VAL 26 18.035 33.791 16.290 187 HG22 VAL 26 HG22 VAL 26 18.120 33.460 18.035 188 HG23 VAL 26 HG23 VAL 26 19.297 34.538 17.280 189 H ARG 27 H ARG 27 22.495 31.607 16.390 190 HA ARG 27 HA ARG 27 22.481 28.744 16.656 191 HB2 ARG 27 HB2 ARG 27 24.406 30.767 15.479 192 HB3 ARG 27 HB3 ARG 27 24.766 29.032 15.501 193 HG2 ARG 27 HG2 ARG 27 22.783 28.511 14.235 194 HG3 ARG 27 HG3 ARG 27 22.181 30.174 14.362 195 HD2 ARG 27 HD2 ARG 27 24.146 30.962 13.046 196 HD3 ARG 27 HD3 ARG 27 24.681 29.281 12.878 197 HE ARG 27 HE ARG 27 23.039 28.908 11.262 198 HH11 ARG 27 HH11 ARG 27 22.186 31.996 12.803 199 HH12 ARG 27 HH12 ARG 27 20.993 32.277 11.534 200 HH21 ARG 27 HH21 ARG 27 21.532 29.426 9.836 201 HH22 ARG 27 HH22 ARG 27 20.603 30.933 10.006 202 H GLU 28 H GLU 28 24.647 31.202 18.212 203 HA GLU 28 HA GLU 28 26.079 29.208 19.702 204 HB2 GLU 28 HB2 GLU 28 25.510 32.107 20.454 205 HB3 GLU 28 HB3 GLU 28 26.624 31.049 21.308 206 HG2 GLU 28 HG2 GLU 28 26.931 32.172 18.522 207 HG3 GLU 28 HG3 GLU 28 27.928 32.459 19.930 208 H CYS 29 H CYS 29 23.063 30.936 20.556 209 HA CYS 29 HA CYS 29 22.788 29.956 23.218 210 HB2 CYS 29 HB2 CYS 29 21.611 31.894 22.489 211 HB3 CYS 29 HB3 CYS 29 20.978 31.076 21.079 212 H ARG 30 H ARG 30 21.415 28.724 20.123 213 HA ARG 30 HA ARG 30 20.309 26.368 21.448 214 HB2 ARG 30 HB2 ARG 30 19.186 25.981 19.497 215 HB3 ARG 30 HB3 ARG 30 19.375 27.726 19.449 216 HG2 ARG 30 HG2 ARG 30 21.442 27.336 17.992 217 HG3 ARG 30 HG3 ARG 30 20.967 25.643 17.875 218 HD2 ARG 30 HD2 ARG 30 19.269 28.019 17.017 219 HD3 ARG 30 HD3 ARG 30 20.251 26.998 15.961 220 HE ARG 30 HE ARG 30 18.118 25.687 17.591 221 HH11 ARG 30 HH11 ARG 30 18.969 26.883 14.401 222 HH12 ARG 30 HH12 ARG 30 17.781 25.865 13.632 223 HH21 ARG 30 HH21 ARG 30 16.621 24.377 16.473 224 HH22 ARG 30 HH22 ARG 30 16.600 24.504 14.731 225 H LEU 31 H LEU 31 23.451 26.954 20.459 226 HA LEU 31 HA LEU 31 24.036 24.017 20.334 227 HB2 LEU 31 HB2 LEU 31 25.697 26.475 19.681 228 HB3 LEU 31 HB3 LEU 31 26.381 24.858 19.763 229 HG LEU 31 HG LEU 31 24.090 25.589 17.885 230 HD11 LEU 31 HD11 LEU 31 26.121 26.896 17.337 231 HD12 LEU 31 HD12 LEU 31 27.079 25.401 17.305 232 HD13 LEU 31 HD13 LEU 31 25.790 25.665 16.107 233 HD21 LEU 31 HD21 LEU 31 26.010 23.217 17.943 234 HD22 LEU 31 HD22 LEU 31 24.278 23.166 18.334 235 HD23 LEU 31 HD23 LEU 31 24.794 23.538 16.689 236 H ARG 32 H ARG 32 24.574 26.874 22.364 237 HA ARG 32 HA ARG 32 26.195 25.558 24.363 238 HB2 ARG 32 HB2 ARG 32 26.141 27.982 23.891 239 HB3 ARG 32 HB3 ARG 32 24.469 28.077 24.418 240 HG2 ARG 32 HG2 ARG 32 26.095 29.017 25.974 241 HG3 ARG 32 HG3 ARG 32 25.173 27.722 26.730 242 HD2 ARG 32 HD2 ARG 32 27.913 27.222 25.483 243 HD3 ARG 32 HD3 ARG 32 27.762 27.936 27.091 244 HE ARG 32 HE ARG 32 26.220 26.041 27.626 245 HH11 ARG 32 HH11 ARG 32 28.609 25.328 25.129 246 HH12 ARG 32 HH12 ARG 32 28.571 23.629 25.562 247 HH21 ARG 32 HH21 ARG 32 26.361 23.940 28.097 248 HH22 ARG 32 HH22 ARG 32 27.499 22.881 27.263 249 H TYR 33 H TYR 33 22.733 26.408 24.158 250 HA TYR 33 HA TYR 33 22.108 24.189 26.072 251 HB2 TYR 33 HB2 TYR 33 20.431 26.612 25.329 252 HB3 TYR 33 HB3 TYR 33 19.947 25.315 26.421 253 HD1 TYR 33 HD1 TYR 33 21.147 24.943 28.596 254 HD2 TYR 33 HD2 TYR 33 21.879 28.396 26.124 255 HE1 TYR 33 HE1 TYR 33 22.209 26.117 30.530 256 HE2 TYR 33 HE2 TYR 33 22.909 29.569 28.085 257 HH TYR 33 HH TYR 33 23.343 29.495 30.327 258 H TYR 34 H TYR 34 19.536 23.611 25.271 259 HA TYR 34 HA TYR 34 20.006 21.862 23.056 260 HB2 TYR 34 HB2 TYR 34 17.365 21.652 23.308 261 HB3 TYR 34 HB3 TYR 34 18.489 20.973 24.469 262 HD1 TYR 34 HD1 TYR 34 16.427 24.064 23.860 263 HD2 TYR 34 HD2 TYR 34 18.398 21.530 26.742 264 HE1 TYR 34 HE1 TYR 34 15.471 25.423 25.707 265 HE2 TYR 34 HE2 TYR 34 17.463 22.922 28.582 266 HH TYR 34 HH TYR 34 15.308 25.680 27.960 267 H GLN 35 H GLN 35 18.924 21.679 21.089 268 HA GLN 35 HA GLN 35 19.125 23.790 19.345 269 HB2 GLN 35 HB2 GLN 35 17.948 22.373 17.755 270 HB3 GLN 35 HB3 GLN 35 19.094 21.454 18.750 271 HG2 GLN 35 HG2 GLN 35 17.208 20.594 20.134 272 HG3 GLN 35 HG3 GLN 35 16.070 21.525 19.168 273 HE21 GLN 35 HE21 GLN 35 15.660 18.359 17.632 274 HE22 GLN 35 HE22 GLN 35 15.269 19.144 19.157 275 H SER 36 H SER 36 16.178 23.034 21.186 276 HA SER 36 HA SER 36 14.491 24.816 19.632 277 HB2 SER 36 HB2 SER 36 13.975 23.370 22.252 278 HB3 SER 36 HB3 SER 36 12.757 24.163 21.230 279 HG SER 36 HG SER 36 13.246 22.760 19.563 280 H ALA 37 H ALA 37 16.864 25.594 21.804 281 HA ALA 37 HA ALA 37 15.574 27.809 23.200 282 HB1 ALA 37 HB1 ALA 37 18.524 27.343 22.608 283 HB2 ALA 37 HB2 ALA 37 17.829 28.414 23.841 284 HB3 ALA 37 HB3 ALA 37 17.653 26.658 24.002 285 H HIS 38 H HIS 38 16.179 30.099 22.809 286 HA HIS 38 HA HIS 38 16.945 30.875 20.068 287 HB2 HIS 38 HB2 HIS 38 14.528 30.423 19.855 288 HB3 HIS 38 HB3 HIS 38 14.197 31.524 21.207 289 HD2 HIS 38 HD2 HIS 38 13.542 33.910 20.448 290 HE1 HIS 38 HE1 HIS 38 15.593 34.094 16.719 291 HE2 HIS 38 HE2 HIS 38 14.034 35.338 18.306 292 H GLY 39 H GLY 39 17.250 33.321 19.869 293 HA2 GLY 39 HA2 GLY 39 17.561 34.761 22.408 294 HA3 GLY 39 HA3 GLY 39 19.066 34.122 21.771 295 H TYR 40 H TYR 40 19.286 36.506 22.183 296 HA TYR 40 HA TYR 40 19.683 37.850 19.675 297 HB2 TYR 40 HB2 TYR 40 18.428 39.884 20.132 298 HB3 TYR 40 HB3 TYR 40 17.351 38.531 20.016 299 HD1 TYR 40 HD1 TYR 40 15.952 37.862 21.929 300 HD2 TYR 40 HD2 TYR 40 18.961 40.920 22.351 301 HE1 TYR 40 HE1 TYR 40 15.033 38.480 24.172 302 HE2 TYR 40 HE2 TYR 40 18.068 41.504 24.583 303 HH TYR 40 HH TYR 40 16.572 41.011 26.181 304 H CYS 41 H CYS 41 20.716 40.086 20.110 305 HA CYS 41 HA CYS 41 22.616 39.718 22.395 306 HB2 CYS 41 HB2 CYS 41 23.027 41.302 19.866 307 HB3 CYS 41 HB3 CYS 41 24.203 41.011 21.142 308 H TYR 42 H TYR 42 23.235 41.340 23.730 309 HA TYR 42 HA TYR 42 21.903 43.973 23.635 310 HB2 TYR 42 HB2 TYR 42 20.430 42.230 24.836 311 HB3 TYR 42 HB3 TYR 42 21.665 42.165 26.074 312 HD1 TYR 42 HD1 TYR 42 19.169 44.329 24.358 313 HD2 TYR 42 HD2 TYR 42 21.764 43.890 27.781 314 HE1 TYR 42 HE1 TYR 42 18.009 46.230 25.490 315 HE2 TYR 42 HE2 TYR 42 20.614 45.802 28.893 316 HH TYR 42 HH TYR 42 19.215 47.703 28.440 317 H ALA 43 H ALA 43 23.245 45.563 24.532 318 HA ALA 43 HA ALA 43 25.293 46.466 24.912 319 HB1 ALA 43 HB1 ALA 43 25.103 44.631 27.324 320 HB2 ALA 43 HB2 ALA 43 26.061 46.122 27.207 321 HB3 ALA 43 HB3 ALA 43 24.293 46.201 27.138 322 H PHE 44 H PHE 44 25.619 44.482 22.982 323 HA PHE 44 HA PHE 44 27.123 43.324 21.845 324 HB2 PHE 44 HB2 PHE 44 29.227 44.578 23.611 325 HB3 PHE 44 HB3 PHE 44 29.496 43.785 22.076 326 HD1 PHE 44 HD1 PHE 44 28.591 44.753 19.948 327 HD2 PHE 44 HD2 PHE 44 28.426 46.886 23.686 328 HE1 PHE 44 HE1 PHE 44 28.200 46.875 18.717 329 HE2 PHE 44 HE2 PHE 44 28.006 49.003 22.459 330 HZ PHE 44 HZ PHE 44 27.895 49.006 19.972 331 H ALA 45 H ALA 45 25.920 41.997 24.259 332 HA ALA 45 HA ALA 45 27.546 39.548 23.906 333 HB1 ALA 45 HB1 ALA 45 26.577 40.555 26.601 334 HB2 ALA 45 HB2 ALA 45 27.340 38.980 26.293 335 HB3 ALA 45 HB3 ALA 45 28.261 40.474 26.044 336 H CYS 46 H CYS 46 26.468 37.575 24.199 337 HA CYS 46 HA CYS 46 23.834 37.680 22.978 338 HB2 CYS 46 HB2 CYS 46 25.582 36.209 22.183 339 HB3 CYS 46 HB3 CYS 46 25.678 35.412 23.749 340 H TRP 47 H TRP 47 21.899 37.159 23.719 341 HA TRP 47 HA TRP 47 21.460 36.318 26.546 342 HB2 TRP 47 HB2 TRP 47 20.992 38.723 26.050 343 HB3 TRP 47 HB3 TRP 47 19.857 38.234 24.809 344 HD1 TRP 47 HD1 TRP 47 17.480 37.525 25.520 345 HE1 TRP 47 HE1 TRP 47 16.106 37.987 27.633 346 HE3 TRP 47 HE3 TRP 47 21.318 38.646 28.730 347 HZ2 TRP 47 HZ2 TRP 47 16.625 38.552 30.416 348 HZ3 TRP 47 HZ3 TRP 47 20.830 39.172 31.115 349 HH2 TRP 47 HH2 TRP 47 18.499 39.124 31.959 350 H CYS 48 H CYS 48 19.996 34.670 26.827 351 HA CYS 48 HA CYS 48 18.878 33.368 24.378 352 HB2 CYS 48 HB2 CYS 48 21.124 32.595 24.954 353 HB3 CYS 48 HB3 CYS 48 20.576 32.164 26.567 354 H THR 49 H THR 49 17.114 32.057 24.645 355 HA THR 49 HA THR 49 15.492 32.457 27.123 356 HB THR 49 HB THR 49 13.620 33.154 25.824 357 HG1 THR 49 HG1 THR 49 15.287 32.686 23.592 358 HG21 THR 49 HG21 THR 49 15.941 34.686 24.582 359 HG22 THR 49 HG22 THR 49 14.281 35.237 24.882 360 HG23 THR 49 HG23 THR 49 15.377 34.945 26.244 361 H HIS 50 H HIS 50 13.468 31.197 27.166 362 HA HIS 50 HA HIS 50 12.513 29.227 27.511 363 HB2 HIS 50 HB2 HIS 50 13.685 28.127 24.960 364 HB3 HIS 50 HB3 HIS 50 12.241 27.599 25.821 365 HD2 HIS 50 HD2 HIS 50 13.346 29.861 23.081 366 HE1 HIS 50 HE1 HIS 50 9.540 31.431 24.153 367 HE2 HIS 50 HE2 HIS 50 11.393 31.505 22.429 368 H LEU 51 H LEU 51 15.131 29.834 28.559 369 HA LEU 51 HA LEU 51 16.669 27.380 28.823 370 HB2 LEU 51 HB2 LEU 51 16.663 29.914 30.508 371 HB3 LEU 51 HB3 LEU 51 17.854 28.630 30.593 372 HG LEU 51 HG LEU 51 17.380 30.407 28.153 373 HD11 LEU 51 HD11 LEU 51 19.517 31.436 28.768 374 HD12 LEU 51 HD12 LEU 51 18.346 31.624 30.077 375 HD13 LEU 51 HD13 LEU 51 19.633 30.398 30.207 376 HD21 LEU 51 HD21 LEU 51 19.596 29.415 27.460 377 HD22 LEU 51 HD22 LEU 51 19.442 28.247 28.778 378 HD23 LEU 51 HD23 LEU 51 18.262 28.259 27.442 379 H TYR 52 H TYR 52 16.522 25.815 30.326 380 HA TYR 52 HA TYR 52 14.344 25.630 32.183 381 HB2 TYR 52 HB2 TYR 52 15.673 23.672 33.080 382 HB3 TYR 52 HB3 TYR 52 15.162 23.624 31.418 383 HD1 TYR 52 HD1 TYR 52 16.633 21.716 31.181 384 HD2 TYR 52 HD2 TYR 52 18.251 25.623 32.016 385 HE1 TYR 52 HE1 TYR 52 18.867 20.959 30.420 386 HE2 TYR 52 HE2 TYR 52 20.474 24.856 31.280 387 HH TYR 52 HH TYR 52 21.042 21.538 30.050 388 H GLU 53 H GLU 53 14.456 25.386 34.477 389 HA GLU 53 HA GLU 53 15.672 27.535 35.867 390 HB2 GLU 53 HB2 GLU 53 14.844 26.464 37.845 391 HB3 GLU 53 HB3 GLU 53 13.636 26.401 36.582 392 HG2 GLU 53 HG2 GLU 53 15.440 24.014 37.185 393 HG3 GLU 53 HG3 GLU 53 13.997 24.352 38.124 394 H GLN 54 H GLN 54 17.117 24.528 34.934 395 HA GLN 54 HA GLN 54 19.199 24.547 36.996 396 HB2 GLN 54 HB2 GLN 54 19.021 22.878 34.477 397 HB3 GLN 54 HB3 GLN 54 20.038 22.558 35.896 398 HG2 GLN 54 HG2 GLN 54 16.986 22.426 35.825 399 HG3 GLN 54 HG3 GLN 54 18.070 21.068 35.718 400 HE21 GLN 54 HE21 GLN 54 16.854 21.142 39.196 401 HE22 GLN 54 HE22 GLN 54 16.124 21.025 37.602 402 H ALA 55 H ALA 55 18.808 26.647 34.531 403 HA ALA 55 HA ALA 55 21.431 26.672 33.305 404 HB1 ALA 55 HB1 ALA 55 19.429 27.602 32.217 405 HB2 ALA 55 HB2 ALA 55 19.268 28.808 33.512 406 HB3 ALA 55 HB3 ALA 55 20.665 28.848 32.413 407 H VAL 56 H VAL 56 22.729 28.771 33.385 408 HA VAL 56 HA VAL 56 22.995 30.010 36.044 409 HB VAL 56 HB VAL 56 24.457 28.047 36.122 410 HG11 VAL 56 HG11 VAL 56 26.004 29.333 33.832 411 HG12 VAL 56 HG12 VAL 56 26.482 27.897 34.758 412 HG13 VAL 56 HG13 VAL 56 25.046 27.840 33.727 413 HG21 VAL 56 HG21 VAL 56 26.105 30.605 35.998 414 HG22 VAL 56 HG22 VAL 56 25.059 30.125 37.359 415 HG23 VAL 56 HG23 VAL 56 26.452 29.133 36.915 416 H VAL 57 H VAL 57 24.037 32.040 36.006 417 HA VAL 57 HA VAL 57 24.607 33.308 33.381 418 HB VAL 57 HB VAL 57 23.227 35.278 34.021 419 HG11 VAL 57 HG11 VAL 57 21.087 34.388 33.310 420 HG12 VAL 57 HG12 VAL 57 22.391 33.617 32.388 421 HG13 VAL 57 HG13 VAL 57 21.588 32.733 33.699 422 HG21 VAL 57 HG21 VAL 57 21.912 33.438 36.078 423 HG22 VAL 57 HG22 VAL 57 22.963 34.813 36.463 424 HG23 VAL 57 HG23 VAL 57 21.423 35.087 35.647 425 H TRP 58 H TRP 58 25.679 35.405 33.601 426 HA TRP 58 HA TRP 58 27.555 36.515 34.207 427 HB2 TRP 58 HB2 TRP 58 26.653 36.317 37.063 428 HB3 TRP 58 HB3 TRP 58 27.437 37.668 36.254 429 HD1 TRP 58 HD1 TRP 58 24.191 36.634 37.419 430 HE1 TRP 58 HE1 TRP 58 22.224 37.815 36.268 431 HE3 TRP 58 HE3 TRP 58 26.755 38.893 33.599 432 HZ2 TRP 58 HZ2 TRP 58 21.815 39.405 33.901 433 HZ3 TRP 58 HZ3 TRP 58 25.549 40.270 31.931 434 HH2 TRP 58 HH2 TRP 58 23.076 40.513 32.045 435 HA PRO 59 HA PRO 59 31.069 34.234 35.125 436 HB2 PRO 59 HB2 PRO 59 31.830 35.689 37.662 437 HB3 PRO 59 HB3 PRO 59 32.843 35.294 36.239 438 HG2 PRO 59 HG2 PRO 59 31.845 37.787 36.542 439 HG3 PRO 59 HG3 PRO 59 31.789 37.004 34.931 440 HD2 PRO 59 HD2 PRO 59 29.581 37.237 36.987 441 HD3 PRO 59 HD3 PRO 59 29.505 37.504 35.219 442 H LEU 60 H LEU 60 31.775 32.316 36.040 443 HA LEU 60 HA LEU 60 30.279 31.245 38.367 444 HB2 LEU 60 HB2 LEU 60 31.977 29.975 36.198 445 HB3 LEU 60 HB3 LEU 60 31.710 29.168 37.731 446 HG LEU 60 HG LEU 60 29.199 29.454 37.371 447 HD11 LEU 60 HD11 LEU 60 30.068 29.950 34.488 448 HD12 LEU 60 HD12 LEU 60 28.419 29.640 35.047 449 HD13 LEU 60 HD13 LEU 60 29.223 31.128 35.529 450 HD21 LEU 60 HD21 LEU 60 30.366 27.315 37.095 451 HD22 LEU 60 HD22 LEU 60 29.086 27.498 35.885 452 HD23 LEU 60 HD23 LEU 60 30.786 27.735 35.421 453 HA PRO 61 HA PRO 61 33.990 32.365 40.732 454 HB2 PRO 61 HB2 PRO 61 33.214 31.558 43.219 455 HB3 PRO 61 HB3 PRO 61 32.598 33.035 42.423 456 HG2 PRO 61 HG2 PRO 61 31.291 30.309 42.543 457 HG3 PRO 61 HG3 PRO 61 30.553 31.910 42.873 458 HD2 PRO 61 HD2 PRO 61 30.305 30.643 40.466 459 HD3 PRO 61 HD3 PRO 61 30.431 32.423 40.583 460 H ASN 62 H ASN 62 32.644 29.136 40.427 461 HA ASN 62 HA ASN 62 34.330 27.536 41.874 462 HB2 ASN 62 HB2 ASN 62 33.334 27.013 39.036 463 HB3 ASN 62 HB3 ASN 62 33.897 25.794 40.171 464 HD21 ASN 62 HD21 ASN 62 30.540 25.227 41.009 465 HD22 ASN 62 HD22 ASN 62 32.125 24.579 40.528 466 H LYS 63 H LYS 63 35.042 28.724 38.580 467 HA LYS 63 HA LYS 63 37.967 28.219 38.891 468 HB2 LYS 63 HB2 LYS 63 36.226 27.293 36.570 469 HB3 LYS 63 HB3 LYS 63 37.992 27.370 36.529 470 HG2 LYS 63 HG2 LYS 63 38.136 25.881 38.508 471 HG3 LYS 63 HG3 LYS 63 36.371 25.722 38.506 472 HD2 LYS 63 HD2 LYS 63 36.490 24.774 36.218 473 HD3 LYS 63 HD3 LYS 63 38.269 24.825 36.318 474 HE2 LYS 63 HE2 LYS 63 38.286 23.337 38.233 475 HE3 LYS 63 HE3 LYS 63 36.527 23.467 38.418 476 HZ1 LYS 63 HZ1 LYS 63 37.866 22.169 36.110 477 HZ2 LYS 63 HZ2 LYS 63 37.186 21.365 37.367 478 HZ3 LYS 63 HZ3 LYS 63 36.248 22.274 36.354 479 H ARG 64 H ARG 64 39.153 29.307 36.986 480 HA ARG 64 HA ARG 64 37.966 32.016 36.429 481 HB2 ARG 64 HB2 ARG 64 40.847 31.039 36.297 482 HB3 ARG 64 HB3 ARG 64 40.309 32.661 35.898 483 HG2 ARG 64 HG2 ARG 64 40.162 31.379 38.657 484 HG3 ARG 64 HG3 ARG 64 41.369 32.537 38.105 485 HD2 ARG 64 HD2 ARG 64 39.882 33.810 39.393 486 HD3 ARG 64 HD3 ARG 64 39.459 34.186 37.717 487 HE ARG 64 HE ARG 64 37.970 32.009 39.090 488 HH11 ARG 64 HH11 ARG 64 37.768 35.483 38.474 489 HH12 ARG 64 HH12 ARG 64 36.050 35.447 38.751 490 HH21 ARG 64 HH21 ARG 64 35.781 32.074 38.869 491 HH22 ARG 64 HH22 ARG 64 35.014 33.627 39.195 492 H CYS 65 H CYS 65 37.830 32.856 34.419 493 HA CYS 65 HA CYS 65 37.856 31.012 32.113 494 HB2 CYS 65 HB2 CYS 65 36.122 32.726 32.237 495 HB3 CYS 65 HB3 CYS 65 37.339 33.997 32.389 496 H LYS 66 H LYS 66 39.612 30.714 30.761 497 HA LYS 66 HA LYS 66 42.175 31.773 31.522 498 HB2 LYS 66 HB2 LYS 66 41.315 30.290 29.005 499 HB3 LYS 66 HB3 LYS 66 42.991 30.690 29.416 500 HG2 LYS 66 HG2 LYS 66 42.763 29.395 31.544 501 HG3 LYS 66 HG3 LYS 66 41.131 28.908 31.046 502 HD2 LYS 66 HD2 LYS 66 42.162 27.934 28.943 503 HD3 LYS 66 HD3 LYS 66 43.762 28.280 29.635 504 HE2 LYS 66 HE2 LYS 66 43.190 26.856 31.610 505 HE3 LYS 66 HE3 LYS 66 41.607 26.526 30.898 506 HZ1 LYS 66 HZ1 LYS 66 42.848 25.599 28.944 507 HZ2 LYS 66 HZ2 LYS 66 44.243 25.721 29.793 508 HZ3 LYS 66 HZ3 LYS 66 43.067 24.725 30.319 509 HN1 NH2 67 HN1 NH2 67 43.366 33.461 30.867 510 HN2 NH2 67 HN2 NH2 67 42.898 34.581 29.600 Start of MODEL 15 1 H1 LYS 1 H1 LYS 1 11.840 31.640 31.450 2 H2 LYS 1 H2 LYS 1 11.838 33.254 31.158 3 H3 LYS 1 H3 LYS 1 11.232 32.672 32.576 4 HA LYS 1 HA LYS 1 13.327 33.619 33.016 5 HB2 LYS 1 HB2 LYS 1 12.701 31.413 34.136 6 HB3 LYS 1 HB3 LYS 1 13.789 30.613 32.989 7 HG2 LYS 1 HG2 LYS 1 15.673 32.003 33.843 8 HG3 LYS 1 HG3 LYS 1 14.557 32.831 34.946 9 HD2 LYS 1 HD2 LYS 1 14.125 30.617 36.070 10 HD3 LYS 1 HD3 LYS 1 15.330 29.881 34.987 11 HE2 LYS 1 HE2 LYS 1 17.066 31.407 35.837 12 HE3 LYS 1 HE3 LYS 1 15.884 32.229 36.857 13 HZ1 LYS 1 HZ1 LYS 1 15.667 30.251 38.192 14 HZ2 LYS 1 HZ2 LYS 1 16.551 29.353 37.161 15 HZ3 LYS 1 HZ3 LYS 1 17.266 30.567 38.040 16 H GLU 2 H GLU 2 15.443 33.969 32.568 17 HA GLU 2 HA GLU 2 16.367 33.367 29.800 18 HB2 GLU 2 HB2 GLU 2 17.178 35.609 29.711 19 HB3 GLU 2 HB3 GLU 2 15.472 35.647 30.092 20 HG2 GLU 2 HG2 GLU 2 17.778 36.100 32.037 21 HG3 GLU 2 HG3 GLU 2 16.748 37.341 31.332 22 H GLY 3 H GLY 3 18.771 33.682 29.505 23 HA2 GLY 3 HA2 GLY 3 20.465 33.262 31.866 24 HA3 GLY 3 HA3 GLY 3 20.269 31.843 30.845 25 H TYR 4 H TYR 4 22.744 33.136 31.346 26 HA TYR 4 HA TYR 4 23.445 34.733 28.944 27 HB2 TYR 4 HB2 TYR 4 24.316 35.136 31.246 28 HB3 TYR 4 HB3 TYR 4 25.246 33.649 31.137 29 HD1 TYR 4 HD1 TYR 4 24.763 37.090 29.827 30 HD2 TYR 4 HD2 TYR 4 27.404 33.682 29.951 31 HE1 TYR 4 HE1 TYR 4 26.586 38.484 28.889 32 HE2 TYR 4 HE2 TYR 4 29.248 35.099 29.036 33 HH TYR 4 HH TYR 4 28.853 38.593 28.392 34 H LEU 5 H LEU 5 25.079 34.015 27.381 35 HA LEU 5 HA LEU 5 24.971 31.218 26.678 36 HB2 LEU 5 HB2 LEU 5 25.143 33.175 25.080 37 HB3 LEU 5 HB3 LEU 5 26.813 33.377 25.609 38 HG LEU 5 HG LEU 5 26.938 30.748 24.873 39 HD11 LEU 5 HD11 LEU 5 24.827 31.900 23.024 40 HD12 LEU 5 HD12 LEU 5 25.602 30.306 22.922 41 HD13 LEU 5 HD13 LEU 5 24.525 30.682 24.278 42 HD21 LEU 5 HD21 LEU 5 28.350 32.547 23.959 43 HD22 LEU 5 HD22 LEU 5 27.775 31.452 22.693 44 HD23 LEU 5 HD23 LEU 5 27.021 33.048 22.886 45 H VAL 6 H VAL 6 25.851 31.024 29.233 46 HA VAL 6 HA VAL 6 28.706 31.388 29.456 47 HB VAL 6 HB VAL 6 27.392 31.899 31.326 48 HG11 VAL 6 HG11 VAL 6 26.677 28.975 31.708 49 HG12 VAL 6 HG12 VAL 6 26.301 30.327 32.783 50 HG13 VAL 6 HG13 VAL 6 25.551 30.245 31.181 51 HG21 VAL 6 HG21 VAL 6 29.749 31.098 31.556 52 HG22 VAL 6 HG22 VAL 6 28.758 30.901 33.023 53 HG23 VAL 6 HG23 VAL 6 29.119 29.497 31.995 54 H ASP 7 H ASP 7 29.957 30.241 28.295 55 HA ASP 7 HA ASP 7 30.001 27.272 28.354 56 HB2 ASP 7 HB2 ASP 7 30.628 28.385 26.276 57 HB3 ASP 7 HB3 ASP 7 31.840 29.342 27.103 58 H TYR 8 H TYR 8 30.421 26.598 30.337 59 HA TYR 8 HA TYR 8 31.893 28.049 32.300 60 HB2 TYR 8 HB2 TYR 8 31.398 26.106 33.717 61 HB3 TYR 8 HB3 TYR 8 29.997 26.622 32.786 62 HD1 TYR 8 HD1 TYR 8 32.478 23.924 33.268 63 HD2 TYR 8 HD2 TYR 8 29.079 25.249 30.955 64 HE1 TYR 8 HE1 TYR 8 32.174 21.619 32.378 65 HE2 TYR 8 HE2 TYR 8 28.812 22.977 30.041 66 HH TYR 8 HH TYR 8 29.420 20.769 30.260 67 H HIS 9 H HIS 9 33.209 26.331 29.794 68 HA HIS 9 HA HIS 9 35.513 25.096 31.015 69 HB2 HIS 9 HB2 HIS 9 34.414 24.953 28.605 70 HB3 HIS 9 HB3 HIS 9 35.523 26.265 28.230 71 HD2 HIS 9 HD2 HIS 9 35.244 22.565 28.467 72 HE1 HIS 9 HE1 HIS 9 39.434 23.240 28.191 73 HE2 HIS 9 HE2 HIS 9 37.607 21.475 28.082 74 H THR 10 H THR 10 34.720 28.457 30.392 75 HA THR 10 HA THR 10 37.080 29.239 31.889 76 HB THR 10 HB THR 10 37.984 29.133 29.581 77 HG1 THR 10 HG1 THR 10 38.857 30.488 31.073 78 HG21 THR 10 HG21 THR 10 37.460 30.897 27.980 79 HG22 THR 10 HG22 THR 10 36.064 29.843 28.249 80 HG23 THR 10 HG23 THR 10 36.115 31.460 28.990 81 H GLY 11 H GLY 11 37.125 31.476 32.569 82 HA2 GLY 11 HA2 GLY 11 34.476 32.441 33.311 83 HA3 GLY 11 HA3 GLY 11 36.036 33.121 33.768 84 H CYS 12 H CYS 12 35.980 32.961 30.381 85 HA CYS 12 HA CYS 12 35.997 35.803 30.126 86 HB2 CYS 12 HB2 CYS 12 35.544 33.715 27.972 87 HB3 CYS 12 HB3 CYS 12 36.060 35.378 27.723 88 H LYS 13 H LYS 13 34.608 37.259 29.083 89 HA LYS 13 HA LYS 13 31.715 36.557 29.133 90 HB2 LYS 13 HB2 LYS 13 31.291 38.895 28.916 91 HB3 LYS 13 HB3 LYS 13 32.550 38.685 30.128 92 HG2 LYS 13 HG2 LYS 13 34.222 39.138 28.179 93 HG3 LYS 13 HG3 LYS 13 32.822 39.708 27.279 94 HD2 LYS 13 HD2 LYS 13 33.677 40.757 30.013 95 HD3 LYS 13 HD3 LYS 13 34.167 41.458 28.472 96 HE2 LYS 13 HE2 LYS 13 31.792 41.919 27.897 97 HE3 LYS 13 HE3 LYS 13 31.264 41.121 29.383 98 HZ1 LYS 13 HZ1 LYS 13 31.312 43.511 29.665 99 HZ2 LYS 13 HZ2 LYS 13 32.413 42.804 30.657 100 HZ3 LYS 13 HZ3 LYS 13 32.937 43.570 29.312 101 H TYR 14 H TYR 14 30.363 36.850 27.292 102 HA TYR 14 HA TYR 14 31.778 36.117 24.761 103 HB2 TYR 14 HB2 TYR 14 29.215 34.982 25.893 104 HB3 TYR 14 HB3 TYR 14 29.994 34.515 24.380 105 HD1 TYR 14 HD1 TYR 14 32.784 34.205 24.882 106 HD2 TYR 14 HD2 TYR 14 29.540 33.330 27.580 107 HE1 TYR 14 HE1 TYR 14 34.221 32.579 26.071 108 HE2 TYR 14 HE2 TYR 14 31.024 31.757 28.833 109 HH TYR 14 HH TYR 14 33.091 30.658 28.873 110 H THR 15 H THR 15 31.877 38.265 24.285 111 HA THR 15 HA THR 15 29.666 40.002 23.842 112 HB THR 15 HB THR 15 31.290 41.462 22.781 113 HG1 THR 15 HG1 THR 15 32.914 40.694 21.803 114 HG21 THR 15 HG21 THR 15 32.870 41.763 24.535 115 HG22 THR 15 HG22 THR 15 31.404 41.140 25.313 116 HG23 THR 15 HG23 THR 15 32.792 40.061 25.021 117 H CYS 16 H CYS 16 28.947 40.955 21.849 118 HA CYS 16 HA CYS 16 29.466 39.735 19.269 119 HB2 CYS 16 HB2 CYS 16 27.233 38.815 18.928 120 HB3 CYS 16 HB3 CYS 16 28.023 38.043 20.277 121 H ALA 17 H ALA 17 27.366 40.532 17.808 122 HA ALA 17 HA ALA 17 28.048 43.240 17.349 123 HB1 ALA 17 HB1 ALA 17 25.924 41.449 16.094 124 HB2 ALA 17 HB2 ALA 17 26.647 42.887 15.347 125 HB3 ALA 17 HB3 ALA 17 27.649 41.463 15.656 126 H LYS 18 H LYS 18 26.155 44.652 16.374 127 HA LYS 18 HA LYS 18 24.536 45.782 18.461 128 HB2 LYS 18 HB2 LYS 18 23.578 47.163 16.739 129 HB3 LYS 18 HB3 LYS 18 25.323 47.060 16.539 130 HG2 LYS 18 HG2 LYS 18 25.011 45.433 14.664 131 HG3 LYS 18 HG3 LYS 18 23.249 45.557 14.864 132 HD2 LYS 18 HD2 LYS 18 23.345 47.975 14.412 133 HD3 LYS 18 HD3 LYS 18 25.112 47.891 14.267 134 HE2 LYS 18 HE2 LYS 18 24.828 46.371 12.289 135 HE3 LYS 18 HE3 LYS 18 23.075 46.599 12.408 136 HZ1 LYS 18 HZ1 LYS 18 25.069 48.766 11.994 137 HZ2 LYS 18 HZ2 LYS 18 24.029 48.211 10.843 138 HZ3 LYS 18 HZ3 LYS 18 23.455 49.003 12.155 139 H LEU 19 H LEU 19 22.243 45.961 18.560 140 HA LEU 19 HA LEU 19 20.978 43.497 18.896 141 HB2 LEU 19 HB2 LEU 19 19.838 46.294 18.565 142 HB3 LEU 19 HB3 LEU 19 18.833 44.922 19.008 143 HG LEU 19 HG LEU 19 21.266 45.744 20.651 144 HD11 LEU 19 HD11 LEU 19 19.657 47.617 20.572 145 HD12 LEU 19 HD12 LEU 19 18.358 46.521 21.092 146 HD13 LEU 19 HD13 LEU 19 19.724 46.870 22.174 147 HD21 LEU 19 HD21 LEU 19 20.467 43.449 21.047 148 HD22 LEU 19 HD22 LEU 19 20.110 44.486 22.432 149 HD23 LEU 19 HD23 LEU 19 18.813 44.057 21.290 150 H GLY 20 H GLY 20 19.581 42.218 17.779 151 HA2 GLY 20 HA2 GLY 20 18.198 41.422 16.101 152 HA3 GLY 20 HA3 GLY 20 18.314 42.970 15.274 153 H ASP 21 H ASP 21 21.254 42.938 15.081 154 HA ASP 21 HA ASP 21 21.650 41.095 12.828 155 HB2 ASP 21 HB2 ASP 21 23.460 43.139 14.162 156 HB3 ASP 21 HB3 ASP 21 23.931 42.125 12.810 157 H ASN 22 H ASN 22 21.077 39.773 15.241 158 HA ASN 22 HA ASN 22 23.647 38.662 16.228 159 HB2 ASN 22 HB2 ASN 22 22.422 38.394 18.393 160 HB3 ASN 22 HB3 ASN 22 22.765 40.027 17.809 161 HD21 ASN 22 HD21 ASN 22 18.792 39.292 17.477 162 HD22 ASN 22 HD22 ASN 22 19.855 38.168 16.652 163 H ASP 23 H ASP 23 22.228 37.448 13.973 164 HA ASP 23 HA ASP 23 20.944 35.039 14.656 165 HB2 ASP 23 HB2 ASP 23 21.183 35.996 12.376 166 HB3 ASP 23 HB3 ASP 23 22.907 35.586 12.385 167 H TYR 24 H TYR 24 24.416 35.765 14.828 168 HA TYR 24 HA TYR 24 25.461 33.148 15.188 169 HB2 TYR 24 HB2 TYR 24 26.806 35.189 14.880 170 HB3 TYR 24 HB3 TYR 24 26.268 35.793 16.445 171 HD1 TYR 24 HD1 TYR 24 28.569 33.528 14.704 172 HD2 TYR 24 HD2 TYR 24 27.089 34.757 18.568 173 HE1 TYR 24 HE1 TYR 24 30.527 32.454 15.802 174 HE2 TYR 24 HE2 TYR 24 29.052 33.692 19.656 175 HH TYR 24 HH TYR 24 30.971 32.533 19.360 176 H CYS 25 H CYS 25 23.884 35.330 17.607 177 HA CYS 25 HA CYS 25 24.395 33.520 19.829 178 HB2 CYS 25 HB2 CYS 25 22.270 35.669 19.545 179 HB3 CYS 25 HB3 CYS 25 22.724 34.845 21.031 180 H VAL 26 H VAL 26 21.696 33.872 17.462 181 HA VAL 26 HA VAL 26 19.964 32.029 18.842 182 HB VAL 26 HB VAL 26 19.982 32.694 15.875 183 HG11 VAL 26 HG11 VAL 26 17.588 32.072 16.000 184 HG12 VAL 26 HG12 VAL 26 18.609 30.705 16.442 185 HG13 VAL 26 HG13 VAL 26 17.780 31.628 17.711 186 HG21 VAL 26 HG21 VAL 26 18.494 33.981 18.205 187 HG22 VAL 26 HG22 VAL 26 19.748 34.764 17.214 188 HG23 VAL 26 HG23 VAL 26 18.199 34.329 16.499 189 H ARG 27 H ARG 27 22.449 31.554 16.325 190 HA ARG 27 HA ARG 27 22.125 28.664 16.164 191 HB2 ARG 27 HB2 ARG 27 24.201 30.717 15.313 192 HB3 ARG 27 HB3 ARG 27 24.610 29.004 15.228 193 HG2 ARG 27 HG2 ARG 27 23.201 28.554 13.493 194 HG3 ARG 27 HG3 ARG 27 21.979 29.711 14.022 195 HD2 ARG 27 HD2 ARG 27 23.007 30.349 11.883 196 HD3 ARG 27 HD3 ARG 27 23.162 31.562 13.159 197 HE ARG 27 HE ARG 27 25.488 29.754 12.709 198 HH11 ARG 27 HH11 ARG 27 24.106 32.924 11.938 199 HH12 ARG 27 HH12 ARG 27 25.734 33.585 11.697 200 HH21 ARG 27 HH21 ARG 27 27.408 30.709 12.191 201 HH22 ARG 27 HH22 ARG 27 27.449 32.448 11.833 202 H GLU 28 H GLU 28 24.333 30.682 18.155 203 HA GLU 28 HA GLU 28 25.495 28.245 19.273 204 HB2 GLU 28 HB2 GLU 28 25.775 31.155 20.072 205 HB3 GLU 28 HB3 GLU 28 26.652 29.833 20.837 206 HG2 GLU 28 HG2 GLU 28 26.827 30.620 17.916 207 HG3 GLU 28 HG3 GLU 28 28.048 30.923 19.155 208 H CYS 29 H CYS 29 22.864 30.413 20.441 209 HA CYS 29 HA CYS 29 22.860 29.368 23.116 210 HB2 CYS 29 HB2 CYS 29 20.773 30.755 21.444 211 HB3 CYS 29 HB3 CYS 29 20.375 30.126 23.028 212 H ARG 30 H ARG 30 21.204 28.223 20.140 213 HA ARG 30 HA ARG 30 19.833 26.049 21.510 214 HB2 ARG 30 HB2 ARG 30 19.060 25.424 19.343 215 HB3 ARG 30 HB3 ARG 30 19.081 27.191 19.427 216 HG2 ARG 30 HG2 ARG 30 21.289 27.171 18.260 217 HG3 ARG 30 HG3 ARG 30 21.127 25.421 18.027 218 HD2 ARG 30 HD2 ARG 30 19.160 27.520 17.048 219 HD3 ARG 30 HD3 ARG 30 20.460 26.860 16.050 220 HE ARG 30 HE ARG 30 18.988 24.668 17.091 221 HH11 ARG 30 HH11 ARG 30 18.586 27.081 14.556 222 HH12 ARG 30 HH12 ARG 30 17.528 26.016 13.653 223 HH21 ARG 30 HH21 ARG 30 17.803 23.447 15.921 224 HH22 ARG 30 HH22 ARG 30 17.068 23.995 14.417 225 H LEU 31 H LEU 31 23.055 26.388 20.865 226 HA LEU 31 HA LEU 31 23.529 23.430 21.088 227 HB2 LEU 31 HB2 LEU 31 25.423 25.630 20.218 228 HB3 LEU 31 HB3 LEU 31 25.829 23.930 20.356 229 HG LEU 31 HG LEU 31 23.716 25.067 18.461 230 HD11 LEU 31 HD11 LEU 31 26.536 24.083 17.869 231 HD12 LEU 31 HD12 LEU 31 25.337 24.617 16.683 232 HD13 LEU 31 HD13 LEU 31 25.992 25.776 17.843 233 HD21 LEU 31 HD21 LEU 31 24.911 22.265 18.678 234 HD22 LEU 31 HD22 LEU 31 23.222 22.730 19.000 235 HD23 LEU 31 HD23 LEU 31 23.861 22.842 17.366 236 H ARG 32 H ARG 32 24.230 26.541 22.609 237 HA ARG 32 HA ARG 32 25.816 25.649 24.838 238 HB2 ARG 32 HB2 ARG 32 25.483 28.008 23.803 239 HB3 ARG 32 HB3 ARG 32 23.983 28.071 24.698 240 HG2 ARG 32 HG2 ARG 32 25.526 29.234 25.994 241 HG3 ARG 32 HG3 ARG 32 25.412 27.699 26.833 242 HD2 ARG 32 HD2 ARG 32 27.525 28.153 24.695 243 HD3 ARG 32 HD3 ARG 32 27.768 28.804 26.328 244 HE ARG 32 HE ARG 32 27.204 26.291 26.973 245 HH11 ARG 32 HH11 ARG 32 29.521 27.335 24.455 246 HH12 ARG 32 HH12 ARG 32 30.225 25.718 24.490 247 HH21 ARG 32 HH21 ARG 32 28.310 24.551 27.043 248 HH22 ARG 32 HH22 ARG 32 29.797 24.352 26.151 249 H TYR 33 H TYR 33 22.405 25.907 24.261 250 HA TYR 33 HA TYR 33 21.684 24.455 26.764 251 HB2 TYR 33 HB2 TYR 33 20.091 26.576 25.241 252 HB3 TYR 33 HB3 TYR 33 19.467 25.599 26.556 253 HD1 TYR 33 HD1 TYR 33 21.936 28.283 25.767 254 HD2 TYR 33 HD2 TYR 33 19.668 26.215 28.777 255 HE1 TYR 33 HE1 TYR 33 22.701 29.941 27.474 256 HE2 TYR 33 HE2 TYR 33 20.458 27.860 30.496 257 HH TYR 33 HH TYR 33 22.754 30.474 29.702 258 H TYR 34 H TYR 34 19.256 23.520 26.110 259 HA TYR 34 HA TYR 34 19.437 21.616 24.059 260 HB2 TYR 34 HB2 TYR 34 17.054 21.342 24.299 261 HB3 TYR 34 HB3 TYR 34 17.852 21.449 25.840 262 HD1 TYR 34 HD1 TYR 34 17.704 24.855 25.372 263 HD2 TYR 34 HD2 TYR 34 15.031 21.482 25.662 264 HE1 TYR 34 HE1 TYR 34 16.055 26.268 26.524 265 HE2 TYR 34 HE2 TYR 34 13.325 22.945 26.707 266 HH TYR 34 HH TYR 34 12.892 24.947 27.647 267 H GLN 35 H GLN 35 18.360 21.345 22.074 268 HA GLN 35 HA GLN 35 18.719 23.360 20.139 269 HB2 GLN 35 HB2 GLN 35 17.317 20.695 20.262 270 HB3 GLN 35 HB3 GLN 35 17.020 21.705 18.852 271 HG2 GLN 35 HG2 GLN 35 19.832 20.971 19.788 272 HG3 GLN 35 HG3 GLN 35 18.916 20.046 18.605 273 HE21 GLN 35 HE21 GLN 35 20.992 22.367 16.595 274 HE22 GLN 35 HE22 GLN 35 21.289 20.948 17.597 275 H SER 36 H SER 36 16.059 23.111 22.301 276 HA SER 36 HA SER 36 14.039 24.442 20.722 277 HB2 SER 36 HB2 SER 36 14.274 24.295 23.743 278 HB3 SER 36 HB3 SER 36 12.818 24.488 22.762 279 HG SER 36 HG SER 36 12.997 22.370 23.447 280 H ALA 37 H ALA 37 16.831 25.696 22.419 281 HA ALA 37 HA ALA 37 15.696 27.999 23.566 282 HB1 ALA 37 HB1 ALA 37 18.571 27.519 22.695 283 HB2 ALA 37 HB2 ALA 37 18.026 28.688 23.910 284 HB3 ALA 37 HB3 ALA 37 17.836 26.955 24.211 285 H HIS 38 H HIS 38 16.279 30.202 23.257 286 HA HIS 38 HA HIS 38 16.655 31.271 20.494 287 HB2 HIS 38 HB2 HIS 38 14.775 32.204 22.708 288 HB3 HIS 38 HB3 HIS 38 15.184 33.182 21.308 289 HD2 HIS 38 HD2 HIS 38 13.242 29.992 22.278 290 HE1 HIS 38 HE1 HIS 38 11.951 31.079 18.366 291 HE2 HIS 38 HE2 HIS 38 11.583 29.472 20.319 292 H GLY 39 H GLY 39 17.552 33.585 20.638 293 HA2 GLY 39 HA2 GLY 39 18.376 34.706 23.077 294 HA3 GLY 39 HA3 GLY 39 19.783 33.861 22.431 295 H TYR 40 H TYR 40 19.992 36.550 22.873 296 HA TYR 40 HA TYR 40 20.478 37.598 20.181 297 HB2 TYR 40 HB2 TYR 40 19.042 39.415 20.197 298 HB3 TYR 40 HB3 TYR 40 18.053 38.102 20.674 299 HD1 TYR 40 HD1 TYR 40 17.591 37.860 23.303 300 HD2 TYR 40 HD2 TYR 40 19.091 41.404 21.353 301 HE1 TYR 40 HE1 TYR 40 16.600 39.286 25.105 302 HE2 TYR 40 HE2 TYR 40 18.138 42.803 23.170 303 HH TYR 40 HH TYR 40 16.386 42.753 24.699 304 H CYS 41 H CYS 41 21.297 39.974 20.352 305 HA CYS 41 HA CYS 41 23.566 39.850 22.251 306 HB2 CYS 41 HB2 CYS 41 23.068 41.548 19.799 307 HB3 CYS 41 HB3 CYS 41 24.428 41.806 20.889 308 H TYR 42 H TYR 42 21.807 40.242 23.981 309 HA TYR 42 HA TYR 42 20.790 42.905 24.396 310 HB2 TYR 42 HB2 TYR 42 19.847 40.848 25.430 311 HB3 TYR 42 HB3 TYR 42 21.319 40.665 26.366 312 HD1 TYR 42 HD1 TYR 42 20.306 40.637 28.515 313 HD2 TYR 42 HD2 TYR 42 19.515 43.944 25.843 314 HE1 TYR 42 HE1 TYR 42 19.175 41.859 30.357 315 HE2 TYR 42 HE2 TYR 42 18.417 45.166 27.694 316 HH TYR 42 HH TYR 42 17.674 43.660 30.778 317 H ALA 43 H ALA 43 21.938 44.689 24.882 318 HA ALA 43 HA ALA 43 23.780 45.976 25.093 319 HB1 ALA 43 HB1 ALA 43 24.018 44.446 27.697 320 HB2 ALA 43 HB2 ALA 43 24.673 46.063 27.362 321 HB3 ALA 43 HB3 ALA 43 22.922 45.803 27.383 322 H PHE 44 H PHE 44 24.377 44.207 23.263 323 HA PHE 44 HA PHE 44 26.018 43.354 22.022 324 HB2 PHE 44 HB2 PHE 44 27.874 44.946 23.799 325 HB3 PHE 44 HB3 PHE 44 28.246 44.317 22.205 326 HD1 PHE 44 HD1 PHE 44 26.469 46.949 24.063 327 HD2 PHE 44 HD2 PHE 44 27.257 45.277 20.170 328 HE1 PHE 44 HE1 PHE 44 25.604 49.020 22.998 329 HE2 PHE 44 HE2 PHE 44 26.417 47.367 19.109 330 HZ PHE 44 HZ PHE 44 25.581 49.232 20.521 331 H ALA 45 H ALA 45 25.267 41.623 24.374 332 HA ALA 45 HA ALA 45 27.334 39.635 23.724 333 HB1 ALA 45 HB1 ALA 45 27.639 38.973 26.092 334 HB2 ALA 45 HB2 ALA 45 28.203 40.625 25.786 335 HB3 ALA 45 HB3 ALA 45 26.645 40.354 26.599 336 H CYS 46 H CYS 46 26.705 37.437 23.967 337 HA CYS 46 HA CYS 46 23.977 37.155 23.164 338 HB2 CYS 46 HB2 CYS 46 26.068 35.070 23.792 339 HB3 CYS 46 HB3 CYS 46 24.464 34.699 23.160 340 H TRP 47 H TRP 47 22.325 37.312 24.375 341 HA TRP 47 HA TRP 47 22.099 36.009 27.055 342 HB2 TRP 47 HB2 TRP 47 21.865 38.493 26.760 343 HB3 TRP 47 HB3 TRP 47 20.476 38.217 25.730 344 HD1 TRP 47 HD1 TRP 47 18.224 38.224 26.940 345 HE1 TRP 47 HE1 TRP 47 17.473 38.506 29.376 346 HE3 TRP 47 HE3 TRP 47 22.705 37.447 29.232 347 HZ2 TRP 47 HZ2 TRP 47 18.719 38.545 31.992 348 HZ3 TRP 47 HZ3 TRP 47 22.925 37.685 31.707 349 HH2 TRP 47 HH2 TRP 47 20.938 38.264 33.081 350 H CYS 48 H CYS 48 21.012 34.114 27.003 351 HA CYS 48 HA CYS 48 19.405 33.392 24.645 352 HB2 CYS 48 HB2 CYS 48 20.288 31.662 26.945 353 HB3 CYS 48 HB3 CYS 48 19.569 31.127 25.427 354 H THR 49 H THR 49 17.251 32.775 24.760 355 HA THR 49 HA THR 49 15.743 33.606 27.207 356 HB THR 49 HB THR 49 14.225 34.898 25.934 357 HG1 THR 49 HG1 THR 49 14.077 33.945 24.037 358 HG21 THR 49 HG21 THR 49 15.543 36.765 25.192 359 HG22 THR 49 HG22 THR 49 16.325 36.057 26.618 360 HG23 THR 49 HG23 THR 49 16.989 35.750 24.997 361 H HIS 50 H HIS 50 13.447 33.067 27.128 362 HA HIS 50 HA HIS 50 11.823 31.511 27.212 363 HB2 HIS 50 HB2 HIS 50 12.674 30.667 24.441 364 HB3 HIS 50 HB3 HIS 50 11.107 30.416 25.196 365 HD2 HIS 50 HD2 HIS 50 9.393 32.461 25.212 366 HE1 HIS 50 HE1 HIS 50 11.796 35.293 23.138 367 HE2 HIS 50 HE2 HIS 50 9.469 34.828 24.027 368 H LEU 51 H LEU 51 13.808 30.739 28.758 369 HA LEU 51 HA LEU 51 14.643 27.964 28.060 370 HB2 LEU 51 HB2 LEU 51 15.756 29.822 30.181 371 HB3 LEU 51 HB3 LEU 51 16.467 28.317 29.610 372 HG LEU 51 HG LEU 51 16.216 30.892 27.998 373 HD11 LEU 51 HD11 LEU 51 17.830 30.944 29.866 374 HD12 LEU 51 HD12 LEU 51 18.627 29.505 29.208 375 HD13 LEU 51 HD13 LEU 51 18.625 31.025 28.289 376 HD21 LEU 51 HD21 LEU 51 17.608 28.265 27.298 377 HD22 LEU 51 HD22 LEU 51 16.149 28.919 26.503 378 HD23 LEU 51 HD23 LEU 51 17.686 29.776 26.361 379 H TYR 52 H TYR 52 14.888 26.391 29.771 380 HA TYR 52 HA TYR 52 12.687 26.074 31.561 381 HB2 TYR 52 HB2 TYR 52 14.433 24.361 32.619 382 HB3 TYR 52 HB3 TYR 52 13.577 24.059 31.144 383 HD1 TYR 52 HD1 TYR 52 14.802 22.997 29.507 384 HD2 TYR 52 HD2 TYR 52 16.812 25.816 32.091 385 HE1 TYR 52 HE1 TYR 52 16.950 22.474 28.402 386 HE2 TYR 52 HE2 TYR 52 18.983 25.263 30.985 387 HH TYR 52 HH TYR 52 19.240 22.575 28.699 388 H GLU 53 H GLU 53 12.692 25.918 33.851 389 HA GLU 53 HA GLU 53 13.513 28.229 35.238 390 HB2 GLU 53 HB2 GLU 53 12.995 25.479 36.437 391 HB3 GLU 53 HB3 GLU 53 12.918 27.027 37.288 392 HG2 GLU 53 HG2 GLU 53 11.052 26.042 35.107 393 HG3 GLU 53 HG3 GLU 53 10.682 26.219 36.816 394 H GLN 54 H GLN 54 15.421 25.369 34.605 395 HA GLN 54 HA GLN 54 17.341 25.743 36.743 396 HB2 GLN 54 HB2 GLN 54 17.488 24.092 34.192 397 HB3 GLN 54 HB3 GLN 54 18.640 24.040 35.525 398 HG2 GLN 54 HG2 GLN 54 16.750 23.362 37.069 399 HG3 GLN 54 HG3 GLN 54 15.714 23.206 35.643 400 HE21 GLN 54 HE21 GLN 54 16.910 19.788 36.039 401 HE22 GLN 54 HE22 GLN 54 15.692 20.838 36.740 402 H ALA 55 H ALA 55 16.958 27.725 34.053 403 HA ALA 55 HA ALA 55 19.593 28.037 33.067 404 HB1 ALA 55 HB1 ALA 55 17.554 28.819 31.925 405 HB2 ALA 55 HB2 ALA 55 17.307 30.049 33.187 406 HB3 ALA 55 HB3 ALA 55 18.721 30.143 32.122 407 H VAL 56 H VAL 56 21.015 29.921 33.187 408 HA VAL 56 HA VAL 56 21.162 31.366 35.755 409 HB VAL 56 HB VAL 56 22.260 29.217 36.168 410 HG11 VAL 56 HG11 VAL 56 23.080 28.687 33.901 411 HG12 VAL 56 HG12 VAL 56 24.234 30.033 33.995 412 HG13 VAL 56 HG13 VAL 56 24.390 28.643 35.088 413 HG21 VAL 56 HG21 VAL 56 23.067 31.291 37.310 414 HG22 VAL 56 HG22 VAL 56 24.296 30.036 37.130 415 HG23 VAL 56 HG23 VAL 56 24.337 31.442 36.067 416 H VAL 57 H VAL 57 22.641 33.126 35.774 417 HA VAL 57 HA VAL 57 23.083 34.294 33.064 418 HB VAL 57 HB VAL 57 22.549 36.473 34.114 419 HG11 VAL 57 HG11 VAL 57 20.878 35.300 32.785 420 HG12 VAL 57 HG12 VAL 57 20.345 34.371 34.207 421 HG13 VAL 57 HG13 VAL 57 20.108 36.124 34.143 422 HG21 VAL 57 HG21 VAL 57 21.383 36.596 36.225 423 HG22 VAL 57 HG22 VAL 57 21.432 34.840 36.436 424 HG23 VAL 57 HG23 VAL 57 22.930 35.789 36.520 425 H TRP 58 H TRP 58 24.479 36.131 32.969 426 HA TRP 58 HA TRP 58 26.526 36.837 32.628 427 HB2 TRP 58 HB2 TRP 58 26.554 36.837 35.643 428 HB3 TRP 58 HB3 TRP 58 27.535 37.872 34.618 429 HD1 TRP 58 HD1 TRP 58 25.733 39.082 32.576 430 HE1 TRP 58 HE1 TRP 58 23.521 40.290 32.985 431 HE3 TRP 58 HE3 TRP 58 24.901 37.594 37.420 432 HZ2 TRP 58 HZ2 TRP 58 21.562 40.440 35.065 433 HZ3 TRP 58 HZ3 TRP 58 22.855 38.342 38.607 434 HH2 TRP 58 HH2 TRP 58 21.163 39.741 37.445 435 HA PRO 59 HA PRO 59 29.953 34.277 32.095 436 HB2 PRO 59 HB2 PRO 59 31.773 36.313 33.385 437 HB3 PRO 59 HB3 PRO 59 31.951 35.479 31.813 438 HG2 PRO 59 HG2 PRO 59 31.062 38.031 31.895 439 HG3 PRO 59 HG3 PRO 59 30.249 36.845 30.820 440 HD2 PRO 59 HD2 PRO 59 29.421 37.782 33.567 441 HD3 PRO 59 HD3 PRO 59 28.427 37.627 32.084 442 H LEU 60 H LEU 60 31.246 32.673 33.080 443 HA LEU 60 HA LEU 60 30.212 31.803 35.495 444 HB2 LEU 60 HB2 LEU 60 31.403 30.424 33.690 445 HB3 LEU 60 HB3 LEU 60 32.917 30.941 34.436 446 HG LEU 60 HG LEU 60 31.908 29.986 36.663 447 HD11 LEU 60 HD11 LEU 60 30.216 28.514 34.598 448 HD12 LEU 60 HD12 LEU 60 30.347 28.106 36.319 449 HD13 LEU 60 HD13 LEU 60 29.603 29.636 35.832 450 HD21 LEU 60 HD21 LEU 60 32.755 28.143 34.418 451 HD22 LEU 60 HD22 LEU 60 33.827 28.998 35.536 452 HD23 LEU 60 HD23 LEU 60 32.742 27.734 36.143 453 HA PRO 61 HA PRO 61 32.625 34.338 38.297 454 HB2 PRO 61 HB2 PRO 61 31.535 33.669 40.671 455 HB3 PRO 61 HB3 PRO 61 30.602 34.533 39.416 456 HG2 PRO 61 HG2 PRO 61 30.584 31.548 39.958 457 HG3 PRO 61 HG3 PRO 61 29.180 32.662 39.835 458 HD2 PRO 61 HD2 PRO 61 30.032 31.222 37.695 459 HD3 PRO 61 HD3 PRO 61 29.444 32.899 37.499 460 H ASN 62 H ASN 62 32.649 30.849 38.424 461 HA ASN 62 HA ASN 62 34.521 30.602 40.619 462 HB2 ASN 62 HB2 ASN 62 33.180 28.702 38.659 463 HB3 ASN 62 HB3 ASN 62 34.439 28.146 39.741 464 HD21 ASN 62 HD21 ASN 62 32.458 28.645 42.709 465 HD22 ASN 62 HD22 ASN 62 34.111 28.674 42.108 466 H LYS 63 H LYS 63 34.988 30.753 37.176 467 HA LYS 63 HA LYS 63 37.927 30.185 37.451 468 HB2 LYS 63 HB2 LYS 63 36.086 29.844 35.049 469 HB3 LYS 63 HB3 LYS 63 37.828 29.632 35.005 470 HG2 LYS 63 HG2 LYS 63 35.941 27.931 36.700 471 HG3 LYS 63 HG3 LYS 63 36.551 27.522 35.091 472 HD2 LYS 63 HD2 LYS 63 38.896 27.600 35.964 473 HD3 LYS 63 HD3 LYS 63 38.267 27.947 37.581 474 HE2 LYS 63 HE2 LYS 63 38.844 25.604 37.401 475 HE3 LYS 63 HE3 LYS 63 37.096 25.788 37.629 476 HZ1 LYS 63 HZ1 LYS 63 36.710 25.258 35.375 477 HZ2 LYS 63 HZ2 LYS 63 38.289 25.412 34.932 478 HZ3 LYS 63 HZ3 LYS 63 37.796 24.145 35.877 479 H ARG 64 H ARG 64 39.375 31.390 36.225 480 HA ARG 64 HA ARG 64 38.594 34.207 35.549 481 HB2 ARG 64 HB2 ARG 64 41.200 32.743 36.040 482 HB3 ARG 64 HB3 ARG 64 41.196 34.238 35.124 483 HG2 ARG 64 HG2 ARG 64 41.746 34.520 37.512 484 HG3 ARG 64 HG3 ARG 64 40.442 35.544 36.944 485 HD2 ARG 64 HD2 ARG 64 39.842 32.953 38.414 486 HD3 ARG 64 HD3 ARG 64 40.303 34.423 39.283 487 HE ARG 64 HE ARG 64 38.322 35.364 37.674 488 HH11 ARG 64 HH11 ARG 64 38.248 32.827 40.111 489 HH12 ARG 64 HH12 ARG 64 36.538 33.084 40.392 490 HH21 ARG 64 HH21 ARG 64 36.256 35.532 37.997 491 HH22 ARG 64 HH22 ARG 64 35.428 34.500 39.158 492 H CYS 65 H CYS 65 39.470 35.109 33.492 493 HA CYS 65 HA CYS 65 38.650 33.381 31.259 494 HB2 CYS 65 HB2 CYS 65 37.755 35.608 31.374 495 HB3 CYS 65 HB3 CYS 65 39.351 36.319 31.447 496 H LYS 66 H LYS 66 39.857 32.534 29.701 497 HA LYS 66 HA LYS 66 42.761 32.397 29.781 498 HB2 LYS 66 HB2 LYS 66 40.641 31.447 27.809 499 HB3 LYS 66 HB3 LYS 66 42.360 31.090 27.610 500 HG2 LYS 66 HG2 LYS 66 42.465 29.841 29.661 501 HG3 LYS 66 HG3 LYS 66 40.850 30.361 30.136 502 HD2 LYS 66 HD2 LYS 66 39.983 29.183 28.023 503 HD3 LYS 66 HD3 LYS 66 41.588 28.423 27.917 504 HE2 LYS 66 HE2 LYS 66 41.297 27.495 30.204 505 HE3 LYS 66 HE3 LYS 66 39.763 28.364 30.363 506 HZ1 LYS 66 HZ1 LYS 66 39.103 27.015 28.274 507 HZ2 LYS 66 HZ2 LYS 66 40.333 25.997 28.733 508 HZ3 LYS 66 HZ3 LYS 66 39.055 26.283 29.710 509 HN1 NH2 67 HN1 NH2 67 43.975 32.626 27.543 510 HN2 NH2 67 HN2 NH2 67 43.783 34.192 26.785 Start of MODEL 16 1 H1 LYS 1 H1 LYS 1 11.465 31.795 31.028 2 H2 LYS 1 H2 LYS 1 11.449 30.870 32.407 3 H3 LYS 1 H3 LYS 1 12.457 30.491 31.175 4 HA LYS 1 HA LYS 1 12.614 33.003 32.693 5 HB2 LYS 1 HB2 LYS 1 13.074 30.765 33.906 6 HB3 LYS 1 HB3 LYS 1 14.534 30.656 32.922 7 HG2 LYS 1 HG2 LYS 1 15.375 32.751 33.916 8 HG3 LYS 1 HG3 LYS 1 13.821 33.008 34.738 9 HD2 LYS 1 HD2 LYS 1 14.152 30.822 35.941 10 HD3 LYS 1 HD3 LYS 1 15.759 30.713 35.201 11 HE2 LYS 1 HE2 LYS 1 16.399 32.832 36.352 12 HE3 LYS 1 HE3 LYS 1 14.786 32.936 37.058 13 HZ1 LYS 1 HZ1 LYS 1 15.192 30.861 38.217 14 HZ2 LYS 1 HZ2 LYS 1 16.638 30.655 37.498 15 HZ3 LYS 1 HZ3 LYS 1 16.439 31.884 38.576 16 H GLU 2 H GLU 2 14.206 34.447 31.938 17 HA GLU 2 HA GLU 2 15.549 33.805 29.341 18 HB2 GLU 2 HB2 GLU 2 15.890 36.391 30.821 19 HB3 GLU 2 HB3 GLU 2 16.023 36.048 29.118 20 HG2 GLU 2 HG2 GLU 2 13.629 36.667 30.778 21 HG3 GLU 2 HG3 GLU 2 14.130 37.375 29.233 22 H GLY 3 H GLY 3 17.985 34.096 29.233 23 HA2 GLY 3 HA2 GLY 3 19.369 33.876 31.837 24 HA3 GLY 3 HA3 GLY 3 19.333 32.412 30.871 25 H TYR 4 H TYR 4 21.599 33.350 31.737 26 HA TYR 4 HA TYR 4 22.959 35.127 29.830 27 HB2 TYR 4 HB2 TYR 4 23.167 35.011 32.423 28 HB3 TYR 4 HB3 TYR 4 24.211 33.632 32.146 29 HD1 TYR 4 HD1 TYR 4 23.683 37.230 31.191 30 HD2 TYR 4 HD2 TYR 4 26.544 34.070 31.849 31 HE1 TYR 4 HE1 TYR 4 25.542 38.871 30.973 32 HE2 TYR 4 HE2 TYR 4 28.403 35.717 31.622 33 HH TYR 4 HH TYR 4 27.824 39.221 31.259 34 H LEU 5 H LEU 5 25.282 34.368 29.156 35 HA LEU 5 HA LEU 5 25.345 31.530 28.307 36 HB2 LEU 5 HB2 LEU 5 24.309 33.243 26.580 37 HB3 LEU 5 HB3 LEU 5 25.984 33.697 26.293 38 HG LEU 5 HG LEU 5 24.712 30.945 25.974 39 HD11 LEU 5 HD11 LEU 5 25.851 32.856 23.897 40 HD12 LEU 5 HD12 LEU 5 25.110 31.275 23.583 41 HD13 LEU 5 HD13 LEU 5 24.117 32.593 24.226 42 HD21 LEU 5 HD21 LEU 5 27.027 30.529 26.583 43 HD22 LEU 5 HD22 LEU 5 26.884 30.311 24.836 44 HD23 LEU 5 HD23 LEU 5 27.593 31.799 25.481 45 H VAL 6 H VAL 6 27.123 30.802 29.281 46 HA VAL 6 HA VAL 6 29.646 32.386 29.164 47 HB VAL 6 HB VAL 6 28.396 32.694 31.321 48 HG11 VAL 6 HG11 VAL 6 28.429 30.938 32.999 49 HG12 VAL 6 HG12 VAL 6 27.536 30.376 31.595 50 HG13 VAL 6 HG13 VAL 6 29.193 29.799 31.877 51 HG21 VAL 6 HG21 VAL 6 31.155 31.420 31.567 52 HG22 VAL 6 HG22 VAL 6 30.781 33.131 31.214 53 HG23 VAL 6 HG23 VAL 6 30.348 32.447 32.764 54 H ASP 7 H ASP 7 31.564 31.273 29.192 55 HA ASP 7 HA ASP 7 31.632 28.679 27.984 56 HB2 ASP 7 HB2 ASP 7 33.212 30.577 27.683 57 HB3 ASP 7 HB3 ASP 7 33.802 30.350 29.309 58 H TYR 8 H TYR 8 32.284 26.627 28.843 59 HA TYR 8 HA TYR 8 31.827 26.239 31.747 60 HB2 TYR 8 HB2 TYR 8 31.897 23.893 31.307 61 HB3 TYR 8 HB3 TYR 8 30.788 24.681 30.209 62 HD1 TYR 8 HD1 TYR 8 31.021 24.427 27.845 63 HD2 TYR 8 HD2 TYR 8 34.179 23.102 30.470 64 HE1 TYR 8 HE1 TYR 8 32.179 23.359 25.922 65 HE2 TYR 8 HE2 TYR 8 35.327 22.035 28.541 66 HH TYR 8 HH TYR 8 34.857 21.207 26.332 67 H HIS 9 H HIS 9 34.541 26.481 29.533 68 HA HIS 9 HA HIS 9 36.397 25.085 31.326 69 HB2 HIS 9 HB2 HIS 9 36.473 24.859 28.873 70 HB3 HIS 9 HB3 HIS 9 36.834 26.582 28.719 71 HD2 HIS 9 HD2 HIS 9 39.329 27.237 28.736 72 HE1 HIS 9 HE1 HIS 9 41.016 23.739 30.486 73 HE2 HIS 9 HE2 HIS 9 41.525 26.027 29.466 74 H THR 10 H THR 10 35.436 28.374 30.894 75 HA THR 10 HA THR 10 37.271 29.395 32.935 76 HB THR 10 HB THR 10 38.723 29.501 31.004 77 HG1 THR 10 HG1 THR 10 38.915 31.157 32.346 78 HG21 THR 10 HG21 THR 10 38.148 31.044 29.108 79 HG22 THR 10 HG22 THR 10 37.297 29.511 29.125 80 HG23 THR 10 HG23 THR 10 36.441 30.987 29.629 81 H GLY 11 H GLY 11 36.751 31.797 33.348 82 HA2 GLY 11 HA2 GLY 11 33.891 31.932 33.767 83 HA3 GLY 11 HA3 GLY 11 35.089 33.150 34.240 84 H CYS 12 H CYS 12 35.048 32.379 30.842 85 HA CYS 12 HA CYS 12 34.529 35.144 30.217 86 HB2 CYS 12 HB2 CYS 12 34.893 32.747 28.402 87 HB3 CYS 12 HB3 CYS 12 34.941 34.422 27.893 88 H LYS 13 H LYS 13 32.766 36.179 29.559 89 HA LYS 13 HA LYS 13 30.239 34.792 28.900 90 HB2 LYS 13 HB2 LYS 13 29.316 37.073 28.893 91 HB3 LYS 13 HB3 LYS 13 30.185 36.712 30.379 92 HG2 LYS 13 HG2 LYS 13 31.306 38.629 30.128 93 HG3 LYS 13 HG3 LYS 13 32.178 37.879 28.816 94 HD2 LYS 13 HD2 LYS 13 31.515 39.713 27.723 95 HD3 LYS 13 HD3 LYS 13 30.156 38.668 27.348 96 HE2 LYS 13 HE2 LYS 13 29.286 40.848 28.005 97 HE3 LYS 13 HE3 LYS 13 28.906 39.713 29.312 98 HZ1 LYS 13 HZ1 LYS 13 30.777 40.606 30.557 99 HZ2 LYS 13 HZ2 LYS 13 31.254 41.538 29.303 100 HZ3 LYS 13 HZ3 LYS 13 29.852 41.871 30.091 101 H TYR 14 H TYR 14 29.257 34.849 26.865 102 HA TYR 14 HA TYR 14 31.107 35.042 24.611 103 HB2 TYR 14 HB2 TYR 14 28.253 34.182 24.981 104 HB3 TYR 14 HB3 TYR 14 28.792 34.652 23.380 105 HD1 TYR 14 HD1 TYR 14 29.041 32.759 22.081 106 HD2 TYR 14 HD2 TYR 14 30.602 32.713 26.112 107 HE1 TYR 14 HE1 TYR 14 30.163 30.578 21.636 108 HE2 TYR 14 HE2 TYR 14 31.754 30.575 25.633 109 HH TYR 14 HH TYR 14 32.635 29.402 23.720 110 H THR 15 H THR 15 31.692 36.849 23.630 111 HA THR 15 HA THR 15 30.074 39.295 23.721 112 HB THR 15 HB THR 15 32.566 39.286 23.754 113 HG1 THR 15 HG1 THR 15 31.668 41.169 23.457 114 HG21 THR 15 HG21 THR 15 32.920 37.757 21.731 115 HG22 THR 15 HG22 THR 15 32.361 39.100 20.722 116 HG23 THR 15 HG23 THR 15 33.824 39.281 21.704 117 H CYS 16 H CYS 16 29.816 40.522 21.707 118 HA CYS 16 HA CYS 16 29.010 39.062 19.266 119 HB2 CYS 16 HB2 CYS 16 27.000 38.843 20.543 120 HB3 CYS 16 HB3 CYS 16 27.019 40.539 21.022 121 H ALA 17 H ALA 17 29.221 40.319 17.418 122 HA ALA 17 HA ALA 17 30.694 42.827 17.780 123 HB1 ALA 17 HB1 ALA 17 31.560 40.970 16.404 124 HB2 ALA 17 HB2 ALA 17 30.163 41.122 15.313 125 HB3 ALA 17 HB3 ALA 17 31.336 42.444 15.446 126 H LYS 18 H LYS 18 27.525 41.922 16.434 127 HA LYS 18 HA LYS 18 26.835 44.802 16.290 128 HB2 LYS 18 HB2 LYS 18 25.962 44.755 14.100 129 HB3 LYS 18 HB3 LYS 18 27.568 44.035 14.004 130 HG2 LYS 18 HG2 LYS 18 26.444 41.748 14.050 131 HG3 LYS 18 HG3 LYS 18 24.893 42.593 13.983 132 HD2 LYS 18 HD2 LYS 18 25.399 41.824 11.808 133 HD3 LYS 18 HD3 LYS 18 25.548 43.590 11.796 134 HE2 LYS 18 HE2 LYS 18 27.944 43.478 11.741 135 HE3 LYS 18 HE3 LYS 18 27.948 41.773 12.218 136 HZ1 LYS 18 HZ1 LYS 18 28.397 42.015 9.869 137 HZ2 LYS 18 HZ2 LYS 18 27.004 41.196 10.069 138 HZ3 LYS 18 HZ3 LYS 18 26.980 42.779 9.589 139 H LEU 19 H LEU 19 24.914 45.358 16.996 140 HA LEU 19 HA LEU 19 23.211 43.352 18.284 141 HB2 LEU 19 HB2 LEU 19 22.823 46.346 17.944 142 HB3 LEU 19 HB3 LEU 19 21.905 45.299 19.019 143 HG LEU 19 HG LEU 19 24.884 45.927 19.275 144 HD11 LEU 19 HD11 LEU 19 23.392 47.813 19.820 145 HD12 LEU 19 HD12 LEU 19 22.499 46.783 20.960 146 HD13 LEU 19 HD13 LEU 19 24.207 47.186 21.258 147 HD21 LEU 19 HD21 LEU 19 24.659 44.839 21.503 148 HD22 LEU 19 HD22 LEU 19 23.031 44.286 21.056 149 HD23 LEU 19 HD23 LEU 19 24.465 43.700 20.166 150 H GLY 20 H GLY 20 20.804 43.335 17.910 151 HA2 GLY 20 HA2 GLY 20 18.874 43.455 16.634 152 HA3 GLY 20 HA3 GLY 20 19.746 44.320 15.369 153 H ASP 21 H ASP 21 21.750 42.479 14.758 154 HA ASP 21 HA ASP 21 20.409 40.303 13.333 155 HB2 ASP 21 HB2 ASP 21 23.343 40.965 13.772 156 HB3 ASP 21 HB3 ASP 21 22.776 39.613 12.810 157 H ASN 22 H ASN 22 19.349 39.145 15.107 158 HA ASN 22 HA ASN 22 20.880 38.270 17.379 159 HB2 ASN 22 HB2 ASN 22 18.859 36.932 17.954 160 HB3 ASN 22 HB3 ASN 22 18.545 38.637 17.654 161 HD21 ASN 22 HD21 ASN 22 16.142 37.928 15.206 162 HD22 ASN 22 HD22 ASN 22 16.686 38.979 16.508 163 H ASP 23 H ASP 23 20.731 36.849 14.240 164 HA ASP 23 HA ASP 23 20.666 34.147 14.759 165 HB2 ASP 23 HB2 ASP 23 21.594 33.752 12.615 166 HB3 ASP 23 HB3 ASP 23 20.551 35.168 12.518 167 H TYR 24 H TYR 24 23.648 36.136 14.888 168 HA TYR 24 HA TYR 24 25.537 34.053 15.168 169 HB2 TYR 24 HB2 TYR 24 26.143 36.395 14.825 170 HB3 TYR 24 HB3 TYR 24 25.522 36.834 16.408 171 HD1 TYR 24 HD1 TYR 24 28.310 35.331 14.546 172 HD2 TYR 24 HD2 TYR 24 26.771 36.198 18.481 173 HE1 TYR 24 HE1 TYR 24 30.561 34.905 15.527 174 HE2 TYR 24 HE2 TYR 24 29.005 35.754 19.455 175 HH TYR 24 HH TYR 24 31.177 35.126 19.052 176 H CYS 25 H CYS 25 23.735 35.729 17.794 177 HA CYS 25 HA CYS 25 24.796 33.899 19.825 178 HB2 CYS 25 HB2 CYS 25 22.753 36.129 19.901 179 HB3 CYS 25 HB3 CYS 25 23.142 35.130 21.302 180 H VAL 26 H VAL 26 21.859 33.975 17.793 181 HA VAL 26 HA VAL 26 20.409 31.993 19.309 182 HB VAL 26 HB VAL 26 20.366 32.693 16.363 183 HG11 VAL 26 HG11 VAL 26 19.692 30.346 16.459 184 HG12 VAL 26 HG12 VAL 26 18.607 30.680 17.831 185 HG13 VAL 26 HG13 VAL 26 18.267 31.353 16.221 186 HG21 VAL 26 HG21 VAL 26 18.322 33.071 18.601 187 HG22 VAL 26 HG22 VAL 26 19.402 34.340 18.003 188 HG23 VAL 26 HG23 VAL 26 18.180 33.651 16.932 189 H ARG 27 H ARG 27 22.838 31.592 16.638 190 HA ARG 27 HA ARG 27 22.927 28.745 16.692 191 HB2 ARG 27 HB2 ARG 27 25.008 30.834 15.956 192 HB3 ARG 27 HB3 ARG 27 25.263 29.090 15.791 193 HG2 ARG 27 HG2 ARG 27 23.153 28.977 14.411 194 HG3 ARG 27 HG3 ARG 27 23.117 30.742 14.430 195 HD2 ARG 27 HD2 ARG 27 25.345 28.995 13.306 196 HD3 ARG 27 HD3 ARG 27 24.096 29.768 12.342 197 HE ARG 27 HE ARG 27 26.506 30.968 13.421 198 HH11 ARG 27 HH11 ARG 27 23.270 31.808 12.315 199 HH12 ARG 27 HH12 ARG 27 23.800 33.401 11.779 200 HH21 ARG 27 HH21 ARG 27 27.045 33.008 12.831 201 HH22 ARG 27 HH22 ARG 27 25.880 34.077 12.096 202 H GLU 28 H GLU 28 25.021 31.040 18.529 203 HA GLU 28 HA GLU 28 26.312 28.861 19.918 204 HB2 GLU 28 HB2 GLU 28 26.024 31.718 20.854 205 HB3 GLU 28 HB3 GLU 28 27.185 30.544 21.431 206 HG2 GLU 28 HG2 GLU 28 27.108 31.898 18.733 207 HG3 GLU 28 HG3 GLU 28 28.374 31.994 19.959 208 H CYS 29 H CYS 29 23.271 30.622 20.723 209 HA CYS 29 HA CYS 29 23.123 29.537 23.394 210 HB2 CYS 29 HB2 CYS 29 22.001 31.637 22.670 211 HB3 CYS 29 HB3 CYS 29 20.928 30.681 21.638 212 H ARG 30 H ARG 30 21.569 28.588 20.277 213 HA ARG 30 HA ARG 30 20.161 26.293 21.308 214 HB2 ARG 30 HB2 ARG 30 19.650 25.747 19.146 215 HB3 ARG 30 HB3 ARG 30 19.648 27.505 19.212 216 HG2 ARG 30 HG2 ARG 30 21.870 27.547 18.151 217 HG3 ARG 30 HG3 ARG 30 21.923 25.791 18.087 218 HD2 ARG 30 HD2 ARG 30 19.789 27.515 16.760 219 HD3 ARG 30 HD3 ARG 30 21.229 26.927 15.933 220 HE ARG 30 HE ARG 30 18.856 25.388 16.701 221 HH11 ARG 30 HH11 ARG 30 22.287 25.024 15.974 222 HH12 ARG 30 HH12 ARG 30 22.109 23.339 15.562 223 HH21 ARG 30 HH21 ARG 30 18.664 23.318 15.686 224 HH22 ARG 30 HH22 ARG 30 20.136 22.455 15.323 225 H LEU 31 H LEU 31 23.531 26.714 20.486 226 HA LEU 31 HA LEU 31 24.049 23.811 20.775 227 HB2 LEU 31 HB2 LEU 31 25.874 26.199 20.374 228 HB3 LEU 31 HB3 LEU 31 26.428 24.525 20.507 229 HG LEU 31 HG LEU 31 24.544 25.510 18.320 230 HD11 LEU 31 HD11 LEU 31 26.768 26.549 18.126 231 HD12 LEU 31 HD12 LEU 31 27.534 24.939 18.244 232 HD13 LEU 31 HD13 LEU 31 26.510 25.347 16.854 233 HD21 LEU 31 HD21 LEU 31 25.124 23.412 17.206 234 HD22 LEU 31 HD22 LEU 31 26.070 22.899 18.622 235 HD23 LEU 31 HD23 LEU 31 24.304 23.099 18.732 236 H ARG 32 H ARG 32 24.446 26.784 22.731 237 HA ARG 32 HA ARG 32 25.912 25.679 24.875 238 HB2 ARG 32 HB2 ARG 32 25.431 28.135 24.508 239 HB3 ARG 32 HB3 ARG 32 23.778 27.864 25.007 240 HG2 ARG 32 HG2 ARG 32 25.140 28.843 26.795 241 HG3 ARG 32 HG3 ARG 32 24.473 27.295 27.271 242 HD2 ARG 32 HD2 ARG 32 26.874 27.756 27.928 243 HD3 ARG 32 HD3 ARG 32 26.563 26.205 27.127 244 HE ARG 32 HE ARG 32 27.292 27.956 25.060 245 HH11 ARG 32 HH11 ARG 32 28.942 26.683 27.898 246 HH12 ARG 32 HH12 ARG 32 30.464 26.651 27.010 247 HH21 ARG 32 HH21 ARG 32 29.160 27.862 24.112 248 HH22 ARG 32 HH22 ARG 32 30.558 27.152 24.906 249 H TYR 33 H TYR 33 22.403 25.994 24.560 250 HA TYR 33 HA TYR 33 21.983 24.193 26.893 251 HB2 TYR 33 HB2 TYR 33 20.112 26.199 25.588 252 HB3 TYR 33 HB3 TYR 33 19.705 25.152 26.946 253 HD1 TYR 33 HD1 TYR 33 20.919 25.395 29.135 254 HD2 TYR 33 HD2 TYR 33 21.325 28.265 25.944 255 HE1 TYR 33 HE1 TYR 33 21.934 27.021 30.725 256 HE2 TYR 33 HE2 TYR 33 22.308 29.906 27.555 257 HH TYR 33 HH TYR 33 22.782 30.364 29.775 258 H TYR 34 H TYR 34 19.633 24.702 24.282 259 HA TYR 34 HA TYR 34 19.995 21.956 23.250 260 HB2 TYR 34 HB2 TYR 34 17.493 21.579 23.593 261 HB3 TYR 34 HB3 TYR 34 18.548 21.423 24.975 262 HD1 TYR 34 HD1 TYR 34 18.342 22.792 26.927 263 HD2 TYR 34 HD2 TYR 34 15.987 23.635 23.413 264 HE1 TYR 34 HE1 TYR 34 16.939 24.376 28.236 265 HE2 TYR 34 HE2 TYR 34 14.554 25.176 24.738 266 HH TYR 34 HH TYR 34 13.993 25.828 26.888 267 H GLN 35 H GLN 35 18.876 21.554 21.292 268 HA GLN 35 HA GLN 35 19.352 23.552 19.449 269 HB2 GLN 35 HB2 GLN 35 18.644 22.048 17.814 270 HB3 GLN 35 HB3 GLN 35 19.318 21.093 19.116 271 HG2 GLN 35 HG2 GLN 35 16.346 21.429 18.508 272 HG3 GLN 35 HG3 GLN 35 17.348 20.065 18.059 273 HE21 GLN 35 HE21 GLN 35 16.858 18.400 21.120 274 HE22 GLN 35 HE22 GLN 35 17.402 18.296 19.465 275 H SER 36 H SER 36 16.229 22.909 20.984 276 HA SER 36 HA SER 36 14.785 24.782 19.254 277 HB2 SER 36 HB2 SER 36 12.856 24.183 20.659 278 HB3 SER 36 HB3 SER 36 13.673 22.775 19.975 279 HG SER 36 HG SER 36 13.976 22.065 21.917 280 H ALA 37 H ALA 37 16.991 25.535 21.575 281 HA ALA 37 HA ALA 37 15.549 27.516 23.094 282 HB1 ALA 37 HB1 ALA 37 18.536 27.283 22.552 283 HB2 ALA 37 HB2 ALA 37 17.769 28.224 23.843 284 HB3 ALA 37 HB3 ALA 37 17.648 26.459 23.862 285 H HIS 38 H HIS 38 16.134 29.861 23.109 286 HA HIS 38 HA HIS 38 16.577 31.069 20.414 287 HB2 HIS 38 HB2 HIS 38 14.517 32.005 22.431 288 HB3 HIS 38 HB3 HIS 38 14.784 32.658 20.820 289 HD2 HIS 38 HD2 HIS 38 14.132 30.840 18.725 290 HE1 HIS 38 HE1 HIS 38 11.356 28.644 21.095 291 HE2 HIS 38 HE2 HIS 38 12.173 29.066 18.738 292 H GLY 39 H GLY 39 17.085 33.493 20.587 293 HA2 GLY 39 HA2 GLY 39 17.892 34.703 23.001 294 HA3 GLY 39 HA3 GLY 39 19.324 33.947 22.302 295 H TYR 40 H TYR 40 19.776 36.411 22.523 296 HA TYR 40 HA TYR 40 19.990 37.452 19.835 297 HB2 TYR 40 HB2 TYR 40 18.946 39.675 20.327 298 HB3 TYR 40 HB3 TYR 40 17.838 38.353 20.166 299 HD1 TYR 40 HD1 TYR 40 19.680 40.168 22.966 300 HD2 TYR 40 HD2 TYR 40 16.040 38.285 21.604 301 HE1 TYR 40 HE1 TYR 40 18.521 40.888 25.041 302 HE2 TYR 40 HE2 TYR 40 14.893 39.024 23.680 303 HH TYR 40 HH TYR 40 16.307 41.240 25.959 304 H CYS 41 H CYS 41 21.039 39.839 20.021 305 HA CYS 41 HA CYS 41 23.235 39.672 22.023 306 HB2 CYS 41 HB2 CYS 41 22.958 41.446 19.574 307 HB3 CYS 41 HB3 CYS 41 24.317 41.408 20.702 308 H TYR 42 H TYR 42 23.443 41.173 23.608 309 HA TYR 42 HA TYR 42 22.083 43.782 23.527 310 HB2 TYR 42 HB2 TYR 42 20.357 42.701 24.711 311 HB3 TYR 42 HB3 TYR 42 21.467 41.636 25.566 312 HD1 TYR 42 HD1 TYR 42 20.359 45.217 25.344 313 HD2 TYR 42 HD2 TYR 42 22.366 42.207 27.683 314 HE1 TYR 42 HE1 TYR 42 20.583 46.827 27.229 315 HE2 TYR 42 HE2 TYR 42 22.582 43.808 29.567 316 HH TYR 42 HH TYR 42 21.020 46.940 29.566 317 H ALA 43 H ALA 43 23.333 45.349 24.512 318 HA ALA 43 HA ALA 43 25.311 46.287 25.104 319 HB1 ALA 43 HB1 ALA 43 26.035 45.736 27.392 320 HB2 ALA 43 HB2 ALA 43 24.268 45.832 27.265 321 HB3 ALA 43 HB3 ALA 43 25.069 44.246 27.349 322 H PHE 44 H PHE 44 25.810 44.696 23.000 323 HA PHE 44 HA PHE 44 27.327 43.504 21.819 324 HB2 PHE 44 HB2 PHE 44 29.291 44.818 23.703 325 HB3 PHE 44 HB3 PHE 44 29.670 44.124 22.141 326 HD1 PHE 44 HD1 PHE 44 28.178 46.996 23.877 327 HD2 PHE 44 HD2 PHE 44 28.811 45.133 20.033 328 HE1 PHE 44 HE1 PHE 44 27.460 49.097 22.749 329 HE2 PHE 44 HE2 PHE 44 28.102 47.234 18.895 330 HZ PHE 44 HZ PHE 44 27.407 49.194 20.263 331 H ALA 45 H ALA 45 26.156 41.994 24.091 332 HA ALA 45 HA ALA 45 27.958 39.674 23.811 333 HB1 ALA 45 HB1 ALA 45 26.895 40.740 26.462 334 HB2 ALA 45 HB2 ALA 45 27.688 39.165 26.243 335 HB3 ALA 45 HB3 ALA 45 28.593 40.665 25.951 336 H CYS 46 H CYS 46 26.828 37.622 24.396 337 HA CYS 46 HA CYS 46 24.189 37.630 23.179 338 HB2 CYS 46 HB2 CYS 46 25.764 35.406 24.509 339 HB3 CYS 46 HB3 CYS 46 24.248 35.190 23.635 340 H TRP 47 H TRP 47 22.283 36.766 24.002 341 HA TRP 47 HA TRP 47 21.867 36.342 26.891 342 HB2 TRP 47 HB2 TRP 47 21.464 38.755 26.487 343 HB3 TRP 47 HB3 TRP 47 20.353 38.361 25.187 344 HD1 TRP 47 HD1 TRP 47 17.908 37.918 25.802 345 HE1 TRP 47 HE1 TRP 47 16.524 38.135 27.938 346 HE3 TRP 47 HE3 TRP 47 21.721 38.146 29.213 347 HZ2 TRP 47 HZ2 TRP 47 17.002 38.429 30.776 348 HZ3 TRP 47 HZ3 TRP 47 21.222 38.409 31.637 349 HH2 TRP 47 HH2 TRP 47 18.864 38.551 32.424 350 H CYS 48 H CYS 48 20.379 34.666 27.162 351 HA CYS 48 HA CYS 48 19.164 33.474 24.702 352 HB2 CYS 48 HB2 CYS 48 20.002 32.328 27.367 353 HB3 CYS 48 HB3 CYS 48 18.964 31.471 26.225 354 H THR 49 H THR 49 16.970 32.842 24.747 355 HA THR 49 HA THR 49 15.316 34.022 26.938 356 HB THR 49 HB THR 49 13.818 35.026 25.381 357 HG1 THR 49 HG1 THR 49 13.779 33.997 23.603 358 HG21 THR 49 HG21 THR 49 16.637 35.854 24.594 359 HG22 THR 49 HG22 THR 49 15.152 36.813 24.482 360 HG23 THR 49 HG23 THR 49 15.787 36.366 26.074 361 H HIS 50 H HIS 50 13.172 33.349 27.074 362 HA HIS 50 HA HIS 50 11.584 31.756 27.342 363 HB2 HIS 50 HB2 HIS 50 12.268 30.886 24.527 364 HB3 HIS 50 HB3 HIS 50 10.792 30.528 25.411 365 HD2 HIS 50 HD2 HIS 50 8.827 32.151 25.120 366 HE1 HIS 50 HE1 HIS 50 10.840 35.357 23.177 367 HE2 HIS 50 HE2 HIS 50 8.552 34.412 23.825 368 H LEU 51 H LEU 51 14.264 31.004 28.325 369 HA LEU 51 HA LEU 51 14.652 28.164 27.741 370 HB2 LEU 51 HB2 LEU 51 15.923 29.884 29.895 371 HB3 LEU 51 HB3 LEU 51 16.412 28.267 29.429 372 HG LEU 51 HG LEU 51 16.661 30.738 27.671 373 HD11 LEU 51 HD11 LEU 51 18.648 29.044 29.255 374 HD12 LEU 51 HD12 LEU 51 19.110 30.291 28.106 375 HD13 LEU 51 HD13 LEU 51 18.198 30.744 29.555 376 HD21 LEU 51 HD21 LEU 51 16.352 28.723 26.278 377 HD22 LEU 51 HD22 LEU 51 18.033 29.261 26.220 378 HD23 LEU 51 HD23 LEU 51 17.589 27.860 27.221 379 H TYR 52 H TYR 52 14.766 26.570 29.453 380 HA TYR 52 HA TYR 52 12.487 26.342 31.178 381 HB2 TYR 52 HB2 TYR 52 13.624 24.304 31.938 382 HB3 TYR 52 HB3 TYR 52 13.530 24.436 30.205 383 HD1 TYR 52 HD1 TYR 52 16.352 26.491 31.070 384 HD2 TYR 52 HD2 TYR 52 15.020 22.383 30.813 385 HE1 TYR 52 HE1 TYR 52 18.688 25.744 30.779 386 HE2 TYR 52 HE2 TYR 52 17.382 21.660 30.560 387 HH TYR 52 HH TYR 52 19.574 22.351 30.888 388 H GLU 53 H GLU 53 12.667 25.774 33.506 389 HA GLU 53 HA GLU 53 13.776 27.867 35.124 390 HB2 GLU 53 HB2 GLU 53 12.864 25.060 35.852 391 HB3 GLU 53 HB3 GLU 53 13.175 26.331 37.019 392 HG2 GLU 53 HG2 GLU 53 11.062 26.501 34.818 393 HG3 GLU 53 HG3 GLU 53 10.746 25.946 36.459 394 H GLN 54 H GLN 54 15.359 24.995 33.869 395 HA GLN 54 HA GLN 54 17.448 24.911 35.923 396 HB2 GLN 54 HB2 GLN 54 17.261 23.533 33.225 397 HB3 GLN 54 HB3 GLN 54 18.505 23.253 34.430 398 HG2 GLN 54 HG2 GLN 54 16.595 22.562 36.017 399 HG3 GLN 54 HG3 GLN 54 15.563 22.509 34.581 400 HE21 GLN 54 HE21 GLN 54 18.738 19.796 34.792 401 HE22 GLN 54 HE22 GLN 54 18.889 21.378 35.529 402 H ALA 55 H ALA 55 16.997 27.329 33.762 403 HA ALA 55 HA ALA 55 19.430 27.459 32.319 404 HB1 ALA 55 HB1 ALA 55 17.513 29.672 33.155 405 HB2 ALA 55 HB2 ALA 55 18.737 29.795 31.873 406 HB3 ALA 55 HB3 ALA 55 17.378 28.661 31.701 407 H VAL 56 H VAL 56 21.274 28.771 32.467 408 HA VAL 56 HA VAL 56 22.149 29.618 35.170 409 HB VAL 56 HB VAL 56 23.586 29.415 32.517 410 HG11 VAL 56 HG11 VAL 56 25.626 30.190 33.700 411 HG12 VAL 56 HG12 VAL 56 24.437 31.473 33.524 412 HG13 VAL 56 HG13 VAL 56 24.624 30.662 35.094 413 HG21 VAL 56 HG21 VAL 56 25.023 27.888 33.846 414 HG22 VAL 56 HG22 VAL 56 24.007 28.159 35.274 415 HG23 VAL 56 HG23 VAL 56 23.343 27.349 33.842 416 H VAL 57 H VAL 57 22.195 31.697 35.842 417 HA VAL 57 HA VAL 57 21.340 33.818 33.937 418 HB VAL 57 HB VAL 57 19.724 34.676 35.474 419 HG11 VAL 57 HG11 VAL 57 19.064 31.746 35.029 420 HG12 VAL 57 HG12 VAL 57 17.953 33.132 35.103 421 HG13 VAL 57 HG13 VAL 57 19.060 32.963 33.743 422 HG21 VAL 57 HG21 VAL 57 18.885 33.420 37.410 423 HG22 VAL 57 HG22 VAL 57 20.140 32.188 37.181 424 HG23 VAL 57 HG23 VAL 57 20.582 33.839 37.653 425 H TRP 58 H TRP 58 22.031 35.832 34.338 426 HA TRP 58 HA TRP 58 23.599 37.351 34.762 427 HB2 TRP 58 HB2 TRP 58 23.563 36.477 37.646 428 HB3 TRP 58 HB3 TRP 58 23.812 38.089 37.014 429 HD1 TRP 58 HD1 TRP 58 21.233 35.911 38.396 430 HE1 TRP 58 HE1 TRP 58 18.826 36.687 37.903 431 HE3 TRP 58 HE3 TRP 58 22.253 39.581 34.962 432 HZ2 TRP 58 HZ2 TRP 58 17.533 38.528 36.135 433 HZ3 TRP 58 HZ3 TRP 58 20.396 40.784 33.833 434 HH2 TRP 58 HH2 TRP 58 18.028 40.251 34.395 435 HA PRO 59 HA PRO 59 27.729 36.084 34.382 436 HB2 PRO 59 HB2 PRO 59 28.722 38.334 36.093 437 HB3 PRO 59 HB3 PRO 59 29.133 37.938 34.397 438 HG2 PRO 59 HG2 PRO 59 27.468 40.006 34.997 439 HG3 PRO 59 HG3 PRO 59 27.129 38.942 33.600 440 HD2 PRO 59 HD2 PRO 59 25.931 38.830 36.370 441 HD3 PRO 59 HD3 PRO 59 25.120 38.744 34.779 442 H LEU 60 H LEU 60 29.808 35.398 35.374 443 HA LEU 60 HA LEU 60 29.303 34.001 37.910 444 HB2 LEU 60 HB2 LEU 60 31.306 33.758 35.686 445 HB3 LEU 60 HB3 LEU 60 31.718 33.121 37.272 446 HG LEU 60 HG LEU 60 29.789 31.659 37.308 447 HD11 LEU 60 HD11 LEU 60 28.396 31.330 35.263 448 HD12 LEU 60 HD12 LEU 60 28.106 32.870 36.061 449 HD13 LEU 60 HD13 LEU 60 29.087 32.828 34.586 450 HD21 LEU 60 HD21 LEU 60 30.454 30.142 35.483 451 HD22 LEU 60 HD22 LEU 60 31.334 31.462 34.687 452 HD23 LEU 60 HD23 LEU 60 31.867 30.854 36.268 453 HA PRO 61 HA PRO 61 31.846 37.070 40.068 454 HB2 PRO 61 HB2 PRO 61 31.227 36.454 42.628 455 HB3 PRO 61 HB3 PRO 61 30.032 37.187 41.518 456 HG2 PRO 61 HG2 PRO 61 30.359 34.245 42.218 457 HG3 PRO 61 HG3 PRO 61 28.858 35.224 42.209 458 HD2 PRO 61 HD2 PRO 61 29.627 33.648 40.097 459 HD3 PRO 61 HD3 PRO 61 28.710 35.171 39.883 460 H ASN 62 H ASN 62 32.201 33.582 40.401 461 HA ASN 62 HA ASN 62 34.656 33.828 42.030 462 HB2 ASN 62 HB2 ASN 62 32.925 31.461 41.230 463 HB3 ASN 62 HB3 ASN 62 34.402 31.333 42.172 464 HD21 ASN 62 HD21 ASN 62 31.221 31.830 44.326 465 HD22 ASN 62 HD22 ASN 62 31.265 31.108 42.721 466 H LYS 63 H LYS 63 33.976 31.780 39.094 467 HA LYS 63 HA LYS 63 36.805 31.683 38.426 468 HB2 LYS 63 HB2 LYS 63 34.301 30.969 36.845 469 HB3 LYS 63 HB3 LYS 63 35.921 30.805 36.186 470 HG2 LYS 63 HG2 LYS 63 34.893 29.333 38.648 471 HG3 LYS 63 HG3 LYS 63 35.036 28.678 37.016 472 HD2 LYS 63 HD2 LYS 63 37.551 29.175 37.134 473 HD3 LYS 63 HD3 LYS 63 37.307 29.578 38.836 474 HE2 LYS 63 HE2 LYS 63 38.033 27.352 38.868 475 HE3 LYS 63 HE3 LYS 63 36.288 27.272 39.150 476 HZ1 LYS 63 HZ1 LYS 63 36.018 26.664 36.802 477 HZ2 LYS 63 HZ2 LYS 63 37.637 26.793 36.552 478 HZ3 LYS 63 HZ3 LYS 63 37.045 25.617 37.544 479 H ARG 64 H ARG 64 38.010 32.841 37.037 480 HA ARG 64 HA ARG 64 36.815 35.295 35.781 481 HB2 ARG 64 HB2 ARG 64 39.612 34.753 36.811 482 HB3 ARG 64 HB3 ARG 64 39.146 36.132 35.798 483 HG2 ARG 64 HG2 ARG 64 37.322 36.672 37.502 484 HG3 ARG 64 HG3 ARG 64 38.017 35.422 38.544 485 HD2 ARG 64 HD2 ARG 64 38.769 37.648 39.198 486 HD3 ARG 64 HD3 ARG 64 40.141 36.665 38.632 487 HE ARG 64 HE ARG 64 39.166 38.079 36.402 488 HH11 ARG 64 HH11 ARG 64 40.635 38.937 39.475 489 HH12 ARG 64 HH12 ARG 64 41.658 40.152 38.745 490 HH21 ARG 64 HH21 ARG 64 40.339 39.762 35.569 491 HH22 ARG 64 HH22 ARG 64 41.433 40.660 36.586 492 H CYS 65 H CYS 65 37.681 36.017 33.779 493 HA CYS 65 HA CYS 65 37.605 33.822 31.852 494 HB2 CYS 65 HB2 CYS 65 36.221 35.780 31.551 495 HB3 CYS 65 HB3 CYS 65 37.627 36.834 31.571 496 H LYS 66 H LYS 66 39.142 33.108 30.483 497 HA LYS 66 HA LYS 66 41.797 34.491 30.318 498 HB2 LYS 66 HB2 LYS 66 41.276 31.492 30.378 499 HB3 LYS 66 HB3 LYS 66 42.836 32.262 30.063 500 HG2 LYS 66 HG2 LYS 66 42.747 33.336 32.320 501 HG3 LYS 66 HG3 LYS 66 41.225 32.490 32.641 502 HD2 LYS 66 HD2 LYS 66 42.429 30.300 32.294 503 HD3 LYS 66 HD3 LYS 66 43.947 31.219 32.153 504 HE2 LYS 66 HE2 LYS 66 43.526 32.194 34.420 505 HE3 LYS 66 HE3 LYS 66 42.041 31.248 34.531 506 HZ1 LYS 66 HZ1 LYS 66 44.810 30.183 34.474 507 HZ2 LYS 66 HZ2 LYS 66 43.729 30.087 35.685 508 HZ3 LYS 66 HZ3 LYS 66 43.461 29.219 34.333 509 HN1 NH2 67 HN1 NH2 67 42.876 34.446 28.330 510 HN2 NH2 67 HN2 NH2 67 41.973 34.191 26.842 Start of MODEL 17 1 H1 LYS 1 H1 LYS 1 12.747 31.055 31.034 2 H2 LYS 1 H2 LYS 1 12.067 32.551 30.838 3 H3 LYS 1 H3 LYS 1 11.744 31.688 32.174 4 HA LYS 1 HA LYS 1 13.281 33.385 32.757 5 HB2 LYS 1 HB2 LYS 1 13.521 31.015 33.657 6 HB3 LYS 1 HB3 LYS 1 14.845 30.781 32.519 7 HG2 LYS 1 HG2 LYS 1 16.180 32.501 33.625 8 HG3 LYS 1 HG3 LYS 1 14.798 32.956 34.655 9 HD2 LYS 1 HD2 LYS 1 14.753 30.679 35.607 10 HD3 LYS 1 HD3 LYS 1 16.158 30.224 34.641 11 HE2 LYS 1 HE2 LYS 1 17.572 31.776 35.841 12 HE3 LYS 1 HE3 LYS 1 16.175 32.480 36.677 13 HZ1 LYS 1 HZ1 LYS 1 15.810 30.367 37.787 14 HZ2 LYS 1 HZ2 LYS 1 17.071 29.658 37.012 15 HZ3 LYS 1 HZ3 LYS 1 17.326 30.874 38.096 16 H GLU 2 H GLU 2 15.107 34.668 32.246 17 HA GLU 2 HA GLU 2 16.288 34.295 29.507 18 HB2 GLU 2 HB2 GLU 2 16.227 36.760 31.299 19 HB3 GLU 2 HB3 GLU 2 17.065 36.603 29.763 20 HG2 GLU 2 HG2 GLU 2 15.114 37.742 29.221 21 HG3 GLU 2 HG3 GLU 2 14.876 36.098 28.641 22 H GLY 3 H GLY 3 18.576 34.273 29.211 23 HA2 GLY 3 HA2 GLY 3 20.351 34.456 31.521 24 HA3 GLY 3 HA3 GLY 3 20.105 32.796 30.989 25 H TYR 4 H TYR 4 22.552 33.992 31.077 26 HA TYR 4 HA TYR 4 23.463 35.070 28.516 27 HB2 TYR 4 HB2 TYR 4 24.490 35.832 30.530 28 HB3 TYR 4 HB3 TYR 4 24.700 34.197 31.136 29 HD1 TYR 4 HD1 TYR 4 25.886 36.496 28.409 30 HD2 TYR 4 HD2 TYR 4 26.666 33.015 30.840 31 HE1 TYR 4 HE1 TYR 4 28.212 36.394 27.531 32 HE2 TYR 4 HE2 TYR 4 28.986 32.909 29.937 33 HH TYR 4 HH TYR 4 30.529 33.904 28.730 34 H LEU 5 H LEU 5 25.065 34.063 27.145 35 HA LEU 5 HA LEU 5 24.693 31.256 26.558 36 HB2 LEU 5 HB2 LEU 5 25.210 33.025 24.870 37 HB3 LEU 5 HB3 LEU 5 26.791 33.237 25.608 38 HG LEU 5 HG LEU 5 27.199 30.724 25.102 39 HD11 LEU 5 HD11 LEU 5 24.835 31.195 23.235 40 HD12 LEU 5 HD12 LEU 5 25.903 29.773 23.261 41 HD13 LEU 5 HD13 LEU 5 24.845 30.102 24.637 42 HD21 LEU 5 HD21 LEU 5 28.236 32.581 23.832 43 HD22 LEU 5 HD22 LEU 5 27.912 31.166 22.839 44 HD23 LEU 5 HD23 LEU 5 26.845 32.583 22.720 45 H VAL 6 H VAL 6 25.087 30.442 28.674 46 HA VAL 6 HA VAL 6 27.265 30.662 30.287 47 HB VAL 6 HB VAL 6 25.057 29.562 30.737 48 HG11 VAL 6 HG11 VAL 6 24.792 27.164 30.419 49 HG12 VAL 6 HG12 VAL 6 25.053 27.934 28.853 50 HG13 VAL 6 HG13 VAL 6 26.379 27.036 29.635 51 HG21 VAL 6 HG21 VAL 6 27.439 27.945 31.732 52 HG22 VAL 6 HG22 VAL 6 26.863 29.494 32.411 53 HG23 VAL 6 HG23 VAL 6 25.834 28.061 32.462 54 H ASP 7 H ASP 7 29.145 29.417 30.831 55 HA ASP 7 HA ASP 7 29.960 27.218 29.127 56 HB2 ASP 7 HB2 ASP 7 30.717 29.341 27.958 57 HB3 ASP 7 HB3 ASP 7 31.808 29.627 29.318 58 H TYR 8 H TYR 8 31.655 26.043 30.004 59 HA TYR 8 HA TYR 8 32.111 26.304 32.963 60 HB2 TYR 8 HB2 TYR 8 32.963 24.021 32.836 61 HB3 TYR 8 HB3 TYR 8 31.343 24.103 32.184 62 HD1 TYR 8 HD1 TYR 8 30.919 23.931 29.745 63 HD2 TYR 8 HD2 TYR 8 34.851 23.362 31.424 64 HE1 TYR 8 HE1 TYR 8 31.702 22.969 27.587 65 HE2 TYR 8 HE2 TYR 8 35.613 22.362 29.268 66 HH TYR 8 HH TYR 8 34.682 21.289 27.277 67 H HIS 9 H HIS 9 33.706 26.571 29.825 68 HA HIS 9 HA HIS 9 36.363 26.064 30.716 69 HB2 HIS 9 HB2 HIS 9 35.511 25.854 28.410 70 HB3 HIS 9 HB3 HIS 9 35.381 27.614 28.294 71 HD2 HIS 9 HD2 HIS 9 37.586 28.962 27.735 72 HE1 HIS 9 HE1 HIS 9 40.365 25.749 27.906 73 HE2 HIS 9 HE2 HIS 9 40.071 28.213 27.327 74 H THR 10 H THR 10 34.605 29.152 30.503 75 HA THR 10 HA THR 10 36.664 30.458 32.103 76 HB THR 10 HB THR 10 37.602 30.776 29.871 77 HG1 THR 10 HG1 THR 10 37.801 32.446 31.361 78 HG21 THR 10 HG21 THR 10 35.024 32.263 29.169 79 HG22 THR 10 HG22 THR 10 36.490 32.159 28.183 80 HG23 THR 10 HG23 THR 10 35.535 30.702 28.487 81 H GLY 11 H GLY 11 36.100 32.426 32.989 82 HA2 GLY 11 HA2 GLY 11 33.214 33.014 33.274 83 HA3 GLY 11 HA3 GLY 11 34.551 33.751 34.149 84 H CYS 12 H CYS 12 35.574 34.020 30.976 85 HA CYS 12 HA CYS 12 34.820 36.830 30.920 86 HB2 CYS 12 HB2 CYS 12 36.625 35.072 29.282 87 HB3 CYS 12 HB3 CYS 12 36.051 36.586 28.603 88 H LYS 13 H LYS 13 33.620 37.963 29.466 89 HA LYS 13 HA LYS 13 31.207 36.769 28.588 90 HB2 LYS 13 HB2 LYS 13 30.578 39.024 27.942 91 HB3 LYS 13 HB3 LYS 13 31.389 39.000 29.502 92 HG2 LYS 13 HG2 LYS 13 33.552 39.603 28.114 93 HG3 LYS 13 HG3 LYS 13 32.415 40.068 26.853 94 HD2 LYS 13 HD2 LYS 13 32.446 41.177 29.693 95 HD3 LYS 13 HD3 LYS 13 33.203 41.938 28.298 96 HE2 LYS 13 HE2 LYS 13 30.995 42.146 27.183 97 HE3 LYS 13 HE3 LYS 13 30.217 41.365 28.569 98 HZ1 LYS 13 HZ1 LYS 13 30.081 43.785 28.642 99 HZ2 LYS 13 HZ2 LYS 13 30.892 43.207 29.951 100 HZ3 LYS 13 HZ3 LYS 13 31.701 43.936 28.686 101 H TYR 14 H TYR 14 30.627 35.748 26.806 102 HA TYR 14 HA TYR 14 32.114 35.917 24.292 103 HB2 TYR 14 HB2 TYR 14 29.605 34.435 25.102 104 HB3 TYR 14 HB3 TYR 14 30.261 34.419 23.469 105 HD1 TYR 14 HD1 TYR 14 30.338 32.682 26.573 106 HD2 TYR 14 HD2 TYR 14 32.830 33.820 23.233 107 HE1 TYR 14 HE1 TYR 14 32.003 30.939 27.203 108 HE2 TYR 14 HE2 TYR 14 34.450 32.031 23.841 109 HH TYR 14 HH TYR 14 33.835 29.712 26.436 110 H THR 15 H THR 15 32.060 37.830 23.377 111 HA THR 15 HA THR 15 29.700 39.517 23.085 112 HB THR 15 HB THR 15 31.322 40.904 21.680 113 HG1 THR 15 HG1 THR 15 32.842 39.286 21.177 114 HG21 THR 15 HG21 THR 15 32.161 40.223 24.526 115 HG22 THR 15 HG22 THR 15 32.569 41.699 23.627 116 HG23 THR 15 HG23 THR 15 30.882 41.376 24.068 117 H CYS 16 H CYS 16 28.875 40.306 21.057 118 HA CYS 16 HA CYS 16 29.494 38.883 18.585 119 HB2 CYS 16 HB2 CYS 16 27.252 37.935 18.268 120 HB3 CYS 16 HB3 CYS 16 28.150 37.240 19.576 121 H ALA 17 H ALA 17 26.650 39.613 17.748 122 HA ALA 17 HA ALA 17 27.292 41.927 16.249 123 HB1 ALA 17 HB1 ALA 17 25.917 39.969 15.545 124 HB2 ALA 17 HB2 ALA 17 24.657 40.460 16.698 125 HB3 ALA 17 HB3 ALA 17 25.056 41.491 15.318 126 H LYS 18 H LYS 18 25.366 43.608 15.961 127 HA LYS 18 HA LYS 18 25.383 45.291 18.332 128 HB2 LYS 18 HB2 LYS 18 23.977 45.645 15.645 129 HB3 LYS 18 HB3 LYS 18 24.097 46.874 16.915 130 HG2 LYS 18 HG2 LYS 18 26.582 46.701 16.829 131 HG3 LYS 18 HG3 LYS 18 26.441 45.599 15.445 132 HD2 LYS 18 HD2 LYS 18 25.203 47.437 14.219 133 HD3 LYS 18 HD3 LYS 18 25.613 48.523 15.555 134 HE2 LYS 18 HE2 LYS 18 27.541 47.024 13.718 135 HE3 LYS 18 HE3 LYS 18 27.235 48.764 13.732 136 HZ1 LYS 18 HZ1 LYS 18 28.150 48.787 16.031 137 HZ2 LYS 18 HZ2 LYS 18 28.552 47.197 15.896 138 HZ3 LYS 18 HZ3 LYS 18 29.253 48.306 14.908 139 H LEU 19 H LEU 19 23.393 46.388 19.072 140 HA LEU 19 HA LEU 19 22.050 44.449 20.578 141 HB2 LEU 19 HB2 LEU 19 21.199 47.335 20.166 142 HB3 LEU 19 HB3 LEU 19 20.767 46.295 21.522 143 HG LEU 19 HG LEU 19 23.568 47.303 20.837 144 HD11 LEU 19 HD11 LEU 19 21.689 47.955 23.137 145 HD12 LEU 19 HD12 LEU 19 23.348 48.564 22.933 146 HD13 LEU 19 HD13 LEU 19 22.099 48.996 21.759 147 HD21 LEU 19 HD21 LEU 19 24.227 46.350 23.034 148 HD22 LEU 19 HD22 LEU 19 22.638 45.545 23.136 149 HD23 LEU 19 HD23 LEU 19 23.800 45.109 21.853 150 H GLY 20 H GLY 20 20.297 43.317 20.429 151 HA2 GLY 20 HA2 GLY 20 18.125 42.641 19.758 152 HA3 GLY 20 HA3 GLY 20 18.103 43.902 18.535 153 H ASP 21 H ASP 21 20.971 42.764 17.634 154 HA ASP 21 HA ASP 21 19.827 41.009 15.640 155 HB2 ASP 21 HB2 ASP 21 22.688 41.803 16.174 156 HB3 ASP 21 HB3 ASP 21 22.205 40.664 14.931 157 H ASN 22 H ASN 22 19.998 38.909 15.349 158 HA ASN 22 HA ASN 22 20.681 37.186 17.695 159 HB2 ASN 22 HB2 ASN 22 18.432 36.091 17.166 160 HB3 ASN 22 HB3 ASN 22 18.387 37.678 17.908 161 HD21 ASN 22 HD21 ASN 22 16.789 39.233 15.153 162 HD22 ASN 22 HD22 ASN 22 17.735 39.551 16.606 163 H ASP 23 H ASP 23 20.730 37.417 14.206 164 HA ASP 23 HA ASP 23 20.404 34.739 13.507 165 HB2 ASP 23 HB2 ASP 23 22.150 36.838 12.168 166 HB3 ASP 23 HB3 ASP 23 21.674 35.312 11.440 167 H TYR 24 H TYR 24 23.489 36.229 14.532 168 HA TYR 24 HA TYR 24 25.019 33.735 14.299 169 HB2 TYR 24 HB2 TYR 24 26.182 35.815 13.986 170 HB3 TYR 24 HB3 TYR 24 25.591 36.467 15.493 171 HD1 TYR 24 HD1 TYR 24 26.470 35.664 17.694 172 HD2 TYR 24 HD2 TYR 24 28.204 34.455 13.940 173 HE1 TYR 24 HE1 TYR 24 28.537 34.942 18.879 174 HE2 TYR 24 HE2 TYR 24 30.273 33.748 15.126 175 HH TYR 24 HH TYR 24 30.730 34.326 18.617 176 H CYS 25 H CYS 25 23.635 35.616 17.035 177 HA CYS 25 HA CYS 25 24.739 33.940 19.063 178 HB2 CYS 25 HB2 CYS 25 24.073 36.174 19.544 179 HB3 CYS 25 HB3 CYS 25 22.420 35.875 19.010 180 H VAL 26 H VAL 26 21.610 33.633 17.343 181 HA VAL 26 HA VAL 26 20.485 31.548 18.915 182 HB VAL 26 HB VAL 26 20.264 32.262 15.980 183 HG11 VAL 26 HG11 VAL 26 18.665 30.107 17.441 184 HG12 VAL 26 HG12 VAL 26 18.292 30.777 15.836 185 HG13 VAL 26 HG13 VAL 26 19.763 29.848 16.064 186 HG21 VAL 26 HG21 VAL 26 19.269 33.783 17.694 187 HG22 VAL 26 HG22 VAL 26 18.041 33.017 16.687 188 HG23 VAL 26 HG23 VAL 26 18.333 32.419 18.330 189 H ARG 27 H ARG 27 22.887 31.282 16.240 190 HA ARG 27 HA ARG 27 22.820 28.431 16.068 191 HB2 ARG 27 HB2 ARG 27 25.041 30.393 15.360 192 HB3 ARG 27 HB3 ARG 27 24.972 28.698 14.891 193 HG2 ARG 27 HG2 ARG 27 22.709 29.218 13.789 194 HG3 ARG 27 HG3 ARG 27 23.099 30.926 14.062 195 HD2 ARG 27 HD2 ARG 27 24.690 28.967 12.385 196 HD3 ARG 27 HD3 ARG 27 23.621 30.223 11.767 197 HE ARG 27 HE ARG 27 26.258 30.614 13.130 198 HH11 ARG 27 HH11 ARG 27 23.652 32.247 11.374 199 HH12 ARG 27 HH12 ARG 27 24.648 33.666 11.159 200 HH21 ARG 27 HH21 ARG 27 27.273 32.404 12.966 201 HH22 ARG 27 HH22 ARG 27 26.702 33.759 11.990 202 H GLU 28 H GLU 28 24.787 30.567 18.095 203 HA GLU 28 HA GLU 28 26.250 28.358 19.341 204 HB2 GLU 28 HB2 GLU 28 25.740 31.167 20.370 205 HB3 GLU 28 HB3 GLU 28 26.899 30.027 21.041 206 HG2 GLU 28 HG2 GLU 28 27.085 31.136 18.209 207 HG3 GLU 28 HG3 GLU 28 27.833 31.877 19.614 208 H CYS 29 H CYS 29 23.342 30.278 20.223 209 HA CYS 29 HA CYS 29 23.042 29.314 22.863 210 HB2 CYS 29 HB2 CYS 29 22.019 31.370 21.921 211 HB3 CYS 29 HB3 CYS 29 20.979 30.377 20.899 212 H ARG 30 H ARG 30 21.538 28.147 19.833 213 HA ARG 30 HA ARG 30 20.023 26.019 21.020 214 HB2 ARG 30 HB2 ARG 30 19.428 25.441 18.820 215 HB3 ARG 30 HB3 ARG 30 19.575 27.203 18.870 216 HG2 ARG 30 HG2 ARG 30 21.890 26.972 17.881 217 HG3 ARG 30 HG3 ARG 30 21.596 25.243 17.700 218 HD2 ARG 30 HD2 ARG 30 19.820 27.396 16.467 219 HD3 ARG 30 HD3 ARG 30 21.178 26.634 15.619 220 HE ARG 30 HE ARG 30 19.735 24.484 16.545 221 HH11 ARG 30 HH11 ARG 30 18.871 27.111 14.358 222 HH12 ARG 30 HH12 ARG 30 17.481 26.221 13.765 223 HH21 ARG 30 HH21 ARG 30 18.194 23.367 15.550 224 HH22 ARG 30 HH22 ARG 30 17.128 24.128 14.398 225 H LEU 31 H LEU 31 23.364 26.164 20.455 226 HA LEU 31 HA LEU 31 23.656 23.188 20.651 227 HB2 LEU 31 HB2 LEU 31 25.679 25.402 20.133 228 HB3 LEU 31 HB3 LEU 31 26.077 23.693 20.272 229 HG LEU 31 HG LEU 31 24.206 24.831 18.142 230 HD11 LEU 31 HD11 LEU 31 27.134 24.036 17.977 231 HD12 LEU 31 HD12 LEU 31 26.107 24.498 16.607 232 HD13 LEU 31 HD13 LEU 31 26.494 25.689 17.861 233 HD21 LEU 31 HD21 LEU 31 24.611 22.664 17.013 234 HD22 LEU 31 HD22 LEU 31 25.547 22.106 18.417 235 HD23 LEU 31 HD23 LEU 31 23.806 22.437 18.565 236 H ARG 32 H ARG 32 24.257 26.200 22.463 237 HA ARG 32 HA ARG 32 25.690 24.862 24.593 238 HB2 ARG 32 HB2 ARG 32 25.766 27.365 23.794 239 HB3 ARG 32 HB3 ARG 32 24.346 27.581 24.808 240 HG2 ARG 32 HG2 ARG 32 26.296 28.216 26.068 241 HG3 ARG 32 HG3 ARG 32 25.661 26.733 26.779 242 HD2 ARG 32 HD2 ARG 32 28.129 26.658 26.627 243 HD3 ARG 32 HD3 ARG 32 27.403 25.402 25.661 244 HE ARG 32 HE ARG 32 28.217 26.372 23.730 245 HH11 ARG 32 HH11 ARG 32 28.787 28.704 26.331 246 HH12 ARG 32 HH12 ARG 32 29.731 29.718 25.251 247 HH21 ARG 32 HH21 ARG 32 29.218 27.830 22.463 248 HH22 ARG 32 HH22 ARG 32 30.021 29.226 23.179 249 H TYR 33 H TYR 33 22.348 26.069 24.352 250 HA TYR 33 HA TYR 33 21.658 24.643 26.884 251 HB2 TYR 33 HB2 TYR 33 20.128 26.668 25.223 252 HB3 TYR 33 HB3 TYR 33 19.429 25.758 26.554 253 HD1 TYR 33 HD1 TYR 33 20.546 25.867 28.852 254 HD2 TYR 33 HD2 TYR 33 21.384 28.673 25.701 255 HE1 TYR 33 HE1 TYR 33 21.327 27.530 30.541 256 HE2 TYR 33 HE2 TYR 33 22.170 30.339 27.395 257 HH TYR 33 HH TYR 33 22.650 30.704 29.632 258 H TYR 34 H TYR 34 19.506 24.933 24.045 259 HA TYR 34 HA TYR 34 19.748 22.101 23.353 260 HB2 TYR 34 HB2 TYR 34 17.284 21.711 23.892 261 HB3 TYR 34 HB3 TYR 34 18.425 21.704 25.210 262 HD1 TYR 34 HD1 TYR 34 17.980 22.920 27.157 263 HD2 TYR 34 HD2 TYR 34 16.041 24.032 23.470 264 HE1 TYR 34 HE1 TYR 34 16.601 24.601 28.380 265 HE2 TYR 34 HE2 TYR 34 14.676 25.703 24.683 266 HH TYR 34 HH TYR 34 14.222 26.659 26.666 267 H GLN 35 H GLN 35 18.205 21.471 21.656 268 HA GLN 35 HA GLN 35 18.626 23.149 19.504 269 HB2 GLN 35 HB2 GLN 35 17.415 21.500 18.192 270 HB3 GLN 35 HB3 GLN 35 18.491 20.778 19.394 271 HG2 GLN 35 HG2 GLN 35 16.435 20.399 20.857 272 HG3 GLN 35 HG3 GLN 35 15.453 20.890 19.480 273 HE21 GLN 35 HE21 GLN 35 17.332 17.593 18.168 274 HE22 GLN 35 HE22 GLN 35 18.118 19.159 18.137 275 H SER 36 H SER 36 15.551 23.086 21.377 276 HA SER 36 HA SER 36 14.287 24.922 19.489 277 HB2 SER 36 HB2 SER 36 12.437 24.936 20.984 278 HB3 SER 36 HB3 SER 36 12.981 23.273 20.767 279 HG SER 36 HG SER 36 13.808 23.241 22.745 280 H ALA 37 H ALA 37 16.830 25.614 21.537 281 HA ALA 37 HA ALA 37 15.763 27.922 22.858 282 HB1 ALA 37 HB1 ALA 37 18.665 27.270 22.299 283 HB2 ALA 37 HB2 ALA 37 18.030 28.384 23.525 284 HB3 ALA 37 HB3 ALA 37 17.713 26.649 23.671 285 H HIS 38 H HIS 38 16.193 30.122 22.547 286 HA HIS 38 HA HIS 38 17.235 31.108 19.939 287 HB2 HIS 38 HB2 HIS 38 14.799 30.926 19.692 288 HB3 HIS 38 HB3 HIS 38 14.560 31.841 21.183 289 HD2 HIS 38 HD2 HIS 38 14.369 34.421 20.961 290 HE1 HIS 38 HE1 HIS 38 15.889 34.912 17.006 291 HE2 HIS 38 HE2 HIS 38 14.791 36.106 18.967 292 H GLY 39 H GLY 39 17.969 33.388 20.035 293 HA2 GLY 39 HA2 GLY 39 18.034 34.835 22.531 294 HA3 GLY 39 HA3 GLY 39 19.554 33.981 22.257 295 H TYR 40 H TYR 40 19.798 36.589 22.509 296 HA TYR 40 HA TYR 40 20.610 37.521 19.847 297 HB2 TYR 40 HB2 TYR 40 19.428 39.562 19.843 298 HB3 TYR 40 HB3 TYR 40 18.265 38.297 20.073 299 HD1 TYR 40 HD1 TYR 40 19.470 41.424 21.249 300 HD2 TYR 40 HD2 TYR 40 17.438 37.857 22.551 301 HE1 TYR 40 HE1 TYR 40 18.390 42.716 23.084 302 HE2 TYR 40 HE2 TYR 40 16.418 39.132 24.435 303 HH TYR 40 HH TYR 40 16.537 42.624 24.582 304 H CYS 41 H CYS 41 21.753 39.629 19.952 305 HA CYS 41 HA CYS 41 23.796 39.449 22.040 306 HB2 CYS 41 HB2 CYS 41 23.571 41.211 19.590 307 HB3 CYS 41 HB3 CYS 41 24.994 41.088 20.623 308 H TYR 42 H TYR 42 22.134 40.017 23.728 309 HA TYR 42 HA TYR 42 21.307 42.779 24.106 310 HB2 TYR 42 HB2 TYR 42 20.062 40.869 25.046 311 HB3 TYR 42 HB3 TYR 42 21.482 40.399 25.972 312 HD1 TYR 42 HD1 TYR 42 19.616 43.677 25.511 313 HD2 TYR 42 HD2 TYR 42 21.143 40.695 28.236 314 HE1 TYR 42 HE1 TYR 42 18.854 45.045 27.437 315 HE2 TYR 42 HE2 TYR 42 20.359 42.075 30.161 316 HH TYR 42 HH TYR 42 18.560 45.106 29.753 317 H ALA 43 H ALA 43 22.449 44.420 25.010 318 HA ALA 43 HA ALA 43 24.348 45.593 25.421 319 HB1 ALA 43 HB1 ALA 43 25.450 45.137 27.541 320 HB2 ALA 43 HB2 ALA 43 23.699 44.908 27.693 321 HB3 ALA 43 HB3 ALA 43 24.777 43.497 27.579 322 H PHE 44 H PHE 44 24.649 43.847 23.247 323 HA PHE 44 HA PHE 44 26.105 43.067 21.761 324 HB2 PHE 44 HB2 PHE 44 28.359 44.253 23.383 325 HB3 PHE 44 HB3 PHE 44 28.382 43.814 21.691 326 HD1 PHE 44 HD1 PHE 44 27.507 46.405 24.099 327 HD2 PHE 44 HD2 PHE 44 27.074 45.122 20.006 328 HE1 PHE 44 HE1 PHE 44 26.875 48.720 23.441 329 HE2 PHE 44 HE2 PHE 44 26.465 47.450 19.345 330 HZ PHE 44 HZ PHE 44 26.360 49.241 21.067 331 H ALA 45 H ALA 45 25.721 41.459 24.496 332 HA ALA 45 HA ALA 45 27.626 39.315 23.672 333 HB1 ALA 45 HB1 ALA 45 26.844 40.093 26.504 334 HB2 ALA 45 HB2 ALA 45 27.838 38.691 26.046 335 HB3 ALA 45 HB3 ALA 45 28.428 40.336 25.739 336 H CYS 46 H CYS 46 26.928 37.190 23.732 337 HA CYS 46 HA CYS 46 24.223 37.051 22.827 338 HB2 CYS 46 HB2 CYS 46 25.993 35.744 21.848 339 HB3 CYS 46 HB3 CYS 46 26.222 34.856 23.347 340 H TRP 47 H TRP 47 22.400 36.690 23.736 341 HA TRP 47 HA TRP 47 22.153 35.650 26.525 342 HB2 TRP 47 HB2 TRP 47 22.362 38.097 26.388 343 HB3 TRP 47 HB3 TRP 47 21.043 38.163 25.234 344 HD1 TRP 47 HD1 TRP 47 18.682 38.350 26.127 345 HE1 TRP 47 HE1 TRP 47 17.655 38.685 28.449 346 HE3 TRP 47 HE3 TRP 47 22.768 37.200 28.989 347 HZ2 TRP 47 HZ2 TRP 47 18.454 38.341 31.209 348 HZ3 TRP 47 HZ3 TRP 47 22.593 37.191 31.470 349 HH2 TRP 47 HH2 TRP 47 20.452 37.773 32.583 350 H CYS 48 H CYS 48 20.752 34.079 26.621 351 HA CYS 48 HA CYS 48 18.978 33.403 24.374 352 HB2 CYS 48 HB2 CYS 48 20.014 31.945 26.788 353 HB3 CYS 48 HB3 CYS 48 18.870 31.226 25.651 354 H THR 49 H THR 49 16.868 32.669 24.722 355 HA THR 49 HA THR 49 15.333 34.163 26.818 356 HB THR 49 HB THR 49 13.682 34.618 25.030 357 HG1 THR 49 HG1 THR 49 15.627 33.347 23.416 358 HG21 THR 49 HG21 THR 49 14.912 36.316 23.813 359 HG22 THR 49 HG22 THR 49 15.433 36.303 25.509 360 HG23 THR 49 HG23 THR 49 16.469 35.581 24.256 361 H HIS 50 H HIS 50 13.123 33.437 27.144 362 HA HIS 50 HA HIS 50 11.613 31.899 27.826 363 HB2 HIS 50 HB2 HIS 50 12.126 30.414 25.254 364 HB3 HIS 50 HB3 HIS 50 10.628 30.575 26.145 365 HD2 HIS 50 HD2 HIS 50 12.428 31.943 23.235 366 HE1 HIS 50 HE1 HIS 50 9.470 34.890 24.068 367 HE2 HIS 50 HE2 HIS 50 11.159 34.049 22.339 368 H LEU 51 H LEU 51 14.412 31.170 28.632 369 HA LEU 51 HA LEU 51 14.722 28.324 28.372 370 HB2 LEU 51 HB2 LEU 51 16.167 30.316 30.157 371 HB3 LEU 51 HB3 LEU 51 16.664 28.659 29.885 372 HG LEU 51 HG LEU 51 16.640 30.842 27.772 373 HD11 LEU 51 HD11 LEU 51 18.382 31.146 29.421 374 HD12 LEU 51 HD12 LEU 51 18.815 29.417 29.361 375 HD13 LEU 51 HD13 LEU 51 19.124 30.446 27.973 376 HD21 LEU 51 HD21 LEU 51 17.888 29.155 26.404 377 HD22 LEU 51 HD22 LEU 51 17.541 27.922 27.632 378 HD23 LEU 51 HD23 LEU 51 16.219 28.666 26.700 379 H TYR 52 H TYR 52 15.143 26.850 30.069 380 HA TYR 52 HA TYR 52 13.236 26.635 32.184 381 HB2 TYR 52 HB2 TYR 52 14.594 24.695 32.875 382 HB3 TYR 52 HB3 TYR 52 14.082 24.690 31.219 383 HD1 TYR 52 HD1 TYR 52 17.072 26.791 31.546 384 HD2 TYR 52 HD2 TYR 52 15.623 22.728 31.252 385 HE1 TYR 52 HE1 TYR 52 19.292 26.040 30.783 386 HE2 TYR 52 HE2 TYR 52 17.847 22.008 30.417 387 HH TYR 52 HH TYR 52 19.977 22.636 29.887 388 H GLU 53 H GLU 53 13.780 26.252 34.431 389 HA GLU 53 HA GLU 53 14.914 28.340 35.871 390 HB2 GLU 53 HB2 GLU 53 14.770 26.833 37.767 391 HB3 GLU 53 HB3 GLU 53 13.314 26.791 36.800 392 HG2 GLU 53 HG2 GLU 53 15.516 24.673 36.691 393 HG3 GLU 53 HG3 GLU 53 14.110 24.588 37.740 394 H GLN 54 H GLN 54 16.622 25.687 34.391 395 HA GLN 54 HA GLN 54 19.008 25.823 36.073 396 HB2 GLN 54 HB2 GLN 54 18.222 24.357 33.544 397 HB3 GLN 54 HB3 GLN 54 19.867 24.284 34.121 398 HG2 GLN 54 HG2 GLN 54 17.501 23.519 35.885 399 HG3 GLN 54 HG3 GLN 54 18.307 22.393 34.798 400 HE21 GLN 54 HE21 GLN 54 20.118 21.651 37.829 401 HE22 GLN 54 HE22 GLN 54 18.546 21.313 37.088 402 H ALA 55 H ALA 55 17.988 28.117 33.937 403 HA ALA 55 HA ALA 55 20.376 28.693 32.450 404 HB1 ALA 55 HB1 ALA 55 18.115 29.473 31.828 405 HB2 ALA 55 HB2 ALA 55 18.084 30.513 33.269 406 HB3 ALA 55 HB3 ALA 55 19.260 30.820 31.982 407 H VAL 56 H VAL 56 21.723 30.561 32.634 408 HA VAL 56 HA VAL 56 22.466 31.409 35.403 409 HB VAL 56 HB VAL 56 24.243 30.146 33.277 410 HG11 VAL 56 HG11 VAL 56 26.104 30.341 34.887 411 HG12 VAL 56 HG12 VAL 56 25.541 31.916 34.348 412 HG13 VAL 56 HG13 VAL 56 25.083 31.318 35.961 413 HG21 VAL 56 HG21 VAL 56 23.025 28.469 34.600 414 HG22 VAL 56 HG22 VAL 56 24.724 28.462 35.048 415 HG23 VAL 56 HG23 VAL 56 23.536 29.248 36.111 416 H VAL 57 H VAL 57 23.591 33.415 35.516 417 HA VAL 57 HA VAL 57 23.611 35.052 32.998 418 HB VAL 57 HB VAL 57 23.078 37.007 34.138 419 HG11 VAL 57 HG11 VAL 57 21.150 34.900 35.159 420 HG12 VAL 57 HG12 VAL 57 20.818 36.615 34.855 421 HG13 VAL 57 HG13 VAL 57 21.193 35.535 33.500 422 HG21 VAL 57 HG21 VAL 57 22.561 37.175 36.529 423 HG22 VAL 57 HG22 VAL 57 23.048 35.488 36.774 424 HG23 VAL 57 HG23 VAL 57 24.244 36.705 36.291 425 H TRP 58 H TRP 58 25.028 37.137 33.411 426 HA TRP 58 HA TRP 58 27.653 36.385 33.036 427 HB2 TRP 58 HB2 TRP 58 27.060 39.117 34.044 428 HB3 TRP 58 HB3 TRP 58 28.062 38.616 32.686 429 HD1 TRP 58 HD1 TRP 58 26.883 38.461 30.315 430 HE1 TRP 58 HE1 TRP 58 24.695 39.466 29.390 431 HE3 TRP 58 HE3 TRP 58 24.553 39.488 34.758 432 HZ2 TRP 58 HZ2 TRP 58 22.291 40.627 30.470 433 HZ3 TRP 58 HZ3 TRP 58 22.301 40.543 34.781 434 HH2 TRP 58 HH2 TRP 58 21.170 41.132 32.652 435 HA PRO 59 HA PRO 59 30.992 36.197 35.882 436 HB2 PRO 59 HB2 PRO 59 29.257 37.881 37.701 437 HB3 PRO 59 HB3 PRO 59 31.000 37.476 37.908 438 HG2 PRO 59 HG2 PRO 59 30.142 39.655 36.419 439 HG3 PRO 59 HG3 PRO 59 31.619 38.732 36.009 440 HD2 PRO 59 HD2 PRO 59 29.210 38.942 34.488 441 HD3 PRO 59 HD3 PRO 59 30.662 38.005 34.073 442 H LEU 60 H LEU 60 30.328 34.171 35.328 443 HA LEU 60 HA LEU 60 28.142 32.743 36.387 444 HB2 LEU 60 HB2 LEU 60 30.719 31.864 35.011 445 HB3 LEU 60 HB3 LEU 60 29.406 30.764 35.405 446 HG LEU 60 HG LEU 60 27.859 32.065 33.958 447 HD11 LEU 60 HD11 LEU 60 28.894 33.573 32.216 448 HD12 LEU 60 HD12 LEU 60 28.787 34.278 33.806 449 HD13 LEU 60 HD13 LEU 60 30.355 33.646 33.210 450 HD21 LEU 60 HD21 LEU 60 30.390 31.170 32.540 451 HD22 LEU 60 HD22 LEU 60 29.120 30.081 33.138 452 HD23 LEU 60 HD23 LEU 60 28.760 31.256 31.854 453 HA PRO 61 HA PRO 61 29.808 31.246 40.298 454 HB2 PRO 61 HB2 PRO 61 28.378 28.936 40.667 455 HB3 PRO 61 HB3 PRO 61 27.669 30.567 40.849 456 HG2 PRO 61 HG2 PRO 61 27.556 28.749 38.417 457 HG3 PRO 61 HG3 PRO 61 26.202 29.613 39.212 458 HD2 PRO 61 HD2 PRO 61 27.435 30.628 37.020 459 HD3 PRO 61 HD3 PRO 61 26.898 31.700 38.351 460 H ASN 62 H ASN 62 29.882 29.329 37.346 461 HA ASN 62 HA ASN 62 31.515 27.191 38.225 462 HB2 ASN 62 HB2 ASN 62 31.137 28.433 35.461 463 HB3 ASN 62 HB3 ASN 62 31.962 26.910 35.769 464 HD21 ASN 62 HD21 ASN 62 28.978 25.059 35.919 465 HD22 ASN 62 HD22 ASN 62 30.740 25.051 35.882 466 H LYS 63 H LYS 63 32.588 30.293 36.657 467 HA LYS 63 HA LYS 63 35.274 30.021 37.812 468 HB2 LYS 63 HB2 LYS 63 34.760 28.779 35.315 469 HB3 LYS 63 HB3 LYS 63 35.415 30.330 34.868 470 HG2 LYS 63 HG2 LYS 63 37.268 28.979 34.923 471 HG3 LYS 63 HG3 LYS 63 37.396 29.787 36.479 472 HD2 LYS 63 HD2 LYS 63 36.029 27.075 36.217 473 HD3 LYS 63 HD3 LYS 63 37.789 27.187 36.233 474 HE2 LYS 63 HE2 LYS 63 37.805 28.184 38.437 475 HE3 LYS 63 HE3 LYS 63 36.045 28.293 38.464 476 HZ1 LYS 63 HZ1 LYS 63 37.575 25.756 38.355 477 HZ2 LYS 63 HZ2 LYS 63 36.841 26.335 39.678 478 HZ3 LYS 63 HZ3 LYS 63 35.933 25.862 38.417 479 H ARG 64 H ARG 64 36.586 31.840 37.592 480 HA ARG 64 HA ARG 64 35.277 34.410 36.791 481 HB2 ARG 64 HB2 ARG 64 35.747 34.135 39.152 482 HB3 ARG 64 HB3 ARG 64 37.417 33.724 38.820 483 HG2 ARG 64 HG2 ARG 64 37.244 35.961 39.736 484 HG3 ARG 64 HG3 ARG 64 37.898 36.011 38.109 485 HD2 ARG 64 HD2 ARG 64 36.371 37.822 38.330 486 HD3 ARG 64 HD3 ARG 64 35.604 36.647 37.261 487 HE ARG 64 HE ARG 64 34.654 36.025 39.819 488 HH11 ARG 64 HH11 ARG 64 34.439 38.775 37.647 489 HH12 ARG 64 HH12 ARG 64 33.223 39.564 38.629 490 HH21 ARG 64 HH21 ARG 64 32.877 36.914 40.824 491 HH22 ARG 64 HH22 ARG 64 32.324 38.501 40.346 492 H CYS 65 H CYS 65 36.694 36.139 35.944 493 HA CYS 65 HA CYS 65 39.120 35.353 34.488 494 HB2 CYS 65 HB2 CYS 65 37.049 34.634 33.180 495 HB3 CYS 65 HB3 CYS 65 36.643 36.343 33.031 496 H LYS 66 H LYS 66 40.316 37.203 33.650 497 HA LYS 66 HA LYS 66 39.946 39.719 35.086 498 HB2 LYS 66 HB2 LYS 66 41.874 38.778 32.929 499 HB3 LYS 66 HB3 LYS 66 41.725 40.485 33.288 500 HG2 LYS 66 HG2 LYS 66 43.345 40.136 34.761 501 HG3 LYS 66 HG3 LYS 66 42.030 39.654 35.830 502 HD2 LYS 66 HD2 LYS 66 42.431 37.253 35.174 503 HD3 LYS 66 HD3 LYS 66 43.767 37.832 34.136 504 HE2 LYS 66 HE2 LYS 66 44.828 38.868 36.176 505 HE3 LYS 66 HE3 LYS 66 43.568 38.113 37.154 506 HZ1 LYS 66 HZ1 LYS 66 44.349 35.937 36.302 507 HZ2 LYS 66 HZ2 LYS 66 45.592 36.713 35.493 508 HZ3 LYS 66 HZ3 LYS 66 45.487 36.736 37.142 509 HN1 NH2 67 HN1 NH2 67 39.832 41.897 34.038 510 HN2 NH2 67 HN2 NH2 67 38.646 42.059 32.766 Start of MODEL 18 1 H1 LYS 1 H1 LYS 1 12.931 29.982 31.505 2 H2 LYS 1 H2 LYS 1 12.039 31.357 31.347 3 H3 LYS 1 H3 LYS 1 11.954 30.468 32.736 4 HA LYS 1 HA LYS 1 13.254 32.467 33.047 5 HB2 LYS 1 HB2 LYS 1 13.775 30.035 34.043 6 HB3 LYS 1 HB3 LYS 1 15.271 30.235 33.130 7 HG2 LYS 1 HG2 LYS 1 15.776 32.298 34.374 8 HG3 LYS 1 HG3 LYS 1 14.187 32.241 35.162 9 HD2 LYS 1 HD2 LYS 1 14.795 30.082 36.237 10 HD3 LYS 1 HD3 LYS 1 16.411 30.176 35.500 11 HE2 LYS 1 HE2 LYS 1 16.860 32.271 36.712 12 HE3 LYS 1 HE3 LYS 1 15.219 32.270 37.373 13 HZ1 LYS 1 HZ1 LYS 1 16.789 31.368 38.980 14 HZ2 LYS 1 HZ2 LYS 1 15.752 30.180 38.520 15 HZ3 LYS 1 HZ3 LYS 1 17.291 30.211 37.942 16 H GLU 2 H GLU 2 15.025 33.791 32.409 17 HA GLU 2 HA GLU 2 16.175 33.330 29.676 18 HB2 GLU 2 HB2 GLU 2 15.784 35.728 31.477 19 HB3 GLU 2 HB3 GLU 2 17.090 35.733 30.311 20 HG2 GLU 2 HG2 GLU 2 15.131 36.838 29.401 21 HG3 GLU 2 HG3 GLU 2 15.606 35.451 28.454 22 H GLY 3 H GLY 3 18.617 34.069 29.542 23 HA2 GLY 3 HA2 GLY 3 20.221 33.752 31.928 24 HA3 GLY 3 HA3 GLY 3 20.274 32.290 30.954 25 H TYR 4 H TYR 4 22.546 33.692 31.546 26 HA TYR 4 HA TYR 4 23.361 35.385 29.258 27 HB2 TYR 4 HB2 TYR 4 24.055 35.643 31.751 28 HB3 TYR 4 HB3 TYR 4 25.137 34.297 31.452 29 HD1 TYR 4 HD1 TYR 4 27.289 34.704 30.377 30 HD2 TYR 4 HD2 TYR 4 24.290 37.801 30.485 31 HE1 TYR 4 HE1 TYR 4 28.995 36.408 29.739 32 HE2 TYR 4 HE2 TYR 4 25.971 39.468 29.787 33 HH TYR 4 HH TYR 4 28.167 39.907 29.562 34 H LEU 5 H LEU 5 25.246 34.807 27.931 35 HA LEU 5 HA LEU 5 25.459 31.887 27.443 36 HB2 LEU 5 HB2 LEU 5 24.829 33.562 25.595 37 HB3 LEU 5 HB3 LEU 5 26.495 34.112 25.672 38 HG LEU 5 HG LEU 5 27.193 31.671 25.236 39 HD11 LEU 5 HD11 LEU 5 24.219 31.458 24.573 40 HD12 LEU 5 HD12 LEU 5 25.459 30.253 24.155 41 HD13 LEU 5 HD13 LEU 5 25.054 30.565 25.849 42 HD21 LEU 5 HD21 LEU 5 27.096 33.411 23.405 43 HD22 LEU 5 HD22 LEU 5 26.821 31.758 22.859 44 HD23 LEU 5 HD23 LEU 5 25.445 32.869 23.038 45 H VAL 6 H VAL 6 27.029 30.860 28.466 46 HA VAL 6 HA VAL 6 29.809 31.818 28.465 47 HB VAL 6 HB VAL 6 28.814 32.858 30.471 48 HG11 VAL 6 HG11 VAL 6 27.088 31.158 31.039 49 HG12 VAL 6 HG12 VAL 6 28.375 30.035 31.528 50 HG13 VAL 6 HG13 VAL 6 28.135 31.551 32.408 51 HG21 VAL 6 HG21 VAL 6 31.200 32.256 30.456 52 HG22 VAL 6 HG22 VAL 6 30.493 32.154 32.081 53 HG23 VAL 6 HG23 VAL 6 30.805 30.677 31.174 54 H ASP 7 H ASP 7 31.322 30.118 28.725 55 HA ASP 7 HA ASP 7 30.299 27.341 28.520 56 HB2 ASP 7 HB2 ASP 7 32.032 28.214 26.944 57 HB3 ASP 7 HB3 ASP 7 33.125 28.460 28.304 58 H TYR 8 H TYR 8 30.399 25.935 30.189 59 HA TYR 8 HA TYR 8 30.993 26.680 32.876 60 HB2 TYR 8 HB2 TYR 8 30.997 24.189 33.293 61 HB3 TYR 8 HB3 TYR 8 29.553 24.866 32.581 62 HD1 TYR 8 HD1 TYR 8 32.703 23.019 31.661 63 HD2 TYR 8 HD2 TYR 8 28.615 23.957 30.647 64 HE1 TYR 8 HE1 TYR 8 32.783 21.372 29.813 65 HE2 TYR 8 HE2 TYR 8 28.678 22.267 28.830 66 HH TYR 8 HH TYR 8 31.636 20.368 28.108 67 H HIS 9 H HIS 9 33.192 25.646 30.342 68 HA HIS 9 HA HIS 9 35.412 24.953 32.069 69 HB2 HIS 9 HB2 HIS 9 35.256 24.330 29.693 70 HB3 HIS 9 HB3 HIS 9 35.401 26.032 29.225 71 HD2 HIS 9 HD2 HIS 9 37.852 27.004 29.007 72 HE1 HIS 9 HE1 HIS 9 40.019 23.800 30.786 73 HE2 HIS 9 HE2 HIS 9 40.234 26.047 29.610 74 H THR 10 H THR 10 34.229 28.170 30.972 75 HA THR 10 HA THR 10 36.257 29.483 32.620 76 HB THR 10 HB THR 10 37.607 28.833 30.677 77 HG1 THR 10 HG1 THR 10 38.160 30.646 31.709 78 HG21 THR 10 HG21 THR 10 35.908 30.712 28.984 79 HG22 THR 10 HG22 THR 10 37.333 29.789 28.485 80 HG23 THR 10 HG23 THR 10 35.835 28.941 28.883 81 H GLY 11 H GLY 11 35.750 31.545 33.184 82 HA2 GLY 11 HA2 GLY 11 33.085 32.464 32.609 83 HA3 GLY 11 HA3 GLY 11 34.257 33.238 33.665 84 H CYS 12 H CYS 12 35.408 32.787 30.408 85 HA CYS 12 HA CYS 12 35.341 35.623 29.780 86 HB2 CYS 12 HB2 CYS 12 36.147 33.117 28.338 87 HB3 CYS 12 HB3 CYS 12 35.653 34.493 27.370 88 H LYS 13 H LYS 13 33.781 36.791 28.934 89 HA LYS 13 HA LYS 13 31.111 35.736 28.457 90 HB2 LYS 13 HB2 LYS 13 30.554 38.089 27.919 91 HB3 LYS 13 HB3 LYS 13 31.371 37.893 29.468 92 HG2 LYS 13 HG2 LYS 13 33.547 38.566 28.261 93 HG3 LYS 13 HG3 LYS 13 32.536 39.039 26.893 94 HD2 LYS 13 HD2 LYS 13 32.282 40.127 29.732 95 HD3 LYS 13 HD3 LYS 13 33.222 40.883 28.446 96 HE2 LYS 13 HE2 LYS 13 31.192 41.180 27.075 97 HE3 LYS 13 HE3 LYS 13 30.219 40.369 28.319 98 HZ1 LYS 13 HZ1 LYS 13 31.697 42.928 28.712 99 HZ2 LYS 13 HZ2 LYS 13 30.105 42.798 28.515 100 HZ3 LYS 13 HZ3 LYS 13 30.814 42.168 29.860 101 H TYR 14 H TYR 14 30.166 35.048 26.624 102 HA TYR 14 HA TYR 14 31.568 35.038 24.054 103 HB2 TYR 14 HB2 TYR 14 28.804 34.225 24.950 104 HB3 TYR 14 HB3 TYR 14 29.249 34.309 23.252 105 HD1 TYR 14 HD1 TYR 14 31.081 32.891 22.311 106 HD2 TYR 14 HD2 TYR 14 29.539 32.330 26.288 107 HE1 TYR 14 HE1 TYR 14 31.947 30.576 22.314 108 HE2 TYR 14 HE2 TYR 14 30.359 29.964 26.268 109 HH TYR 14 HH TYR 14 32.357 28.630 23.739 110 H THR 15 H THR 15 31.911 36.963 23.142 111 HA THR 15 HA THR 15 30.130 39.232 23.347 112 HB THR 15 HB THR 15 31.680 40.430 22.029 113 HG1 THR 15 HG1 THR 15 32.845 37.924 21.360 114 HG21 THR 15 HG21 THR 15 33.423 38.464 23.570 115 HG22 THR 15 HG22 THR 15 33.750 40.166 23.184 116 HG23 THR 15 HG23 THR 15 32.466 39.743 24.334 117 H CYS 16 H CYS 16 29.200 40.416 21.508 118 HA CYS 16 HA CYS 16 28.757 38.894 19.020 119 HB2 CYS 16 HB2 CYS 16 26.320 39.340 19.039 120 HB3 CYS 16 HB3 CYS 16 26.873 38.200 20.253 121 H ALA 17 H ALA 17 28.831 40.143 17.239 122 HA ALA 17 HA ALA 17 30.073 42.643 17.595 123 HB1 ALA 17 HB1 ALA 17 30.149 42.708 15.155 124 HB2 ALA 17 HB2 ALA 17 30.493 41.069 15.731 125 HB3 ALA 17 HB3 ALA 17 28.900 41.454 15.047 126 H LYS 18 H LYS 18 26.627 42.056 16.855 127 HA LYS 18 HA LYS 18 26.147 44.965 17.167 128 HB2 LYS 18 HB2 LYS 18 26.662 44.378 14.710 129 HB3 LYS 18 HB3 LYS 18 25.105 43.535 14.713 130 HG2 LYS 18 HG2 LYS 18 24.004 45.686 15.373 131 HG3 LYS 18 HG3 LYS 18 25.584 46.488 15.300 132 HD2 LYS 18 HD2 LYS 18 25.763 46.032 12.927 133 HD3 LYS 18 HD3 LYS 18 24.277 45.059 12.955 134 HE2 LYS 18 HE2 LYS 18 22.995 47.069 13.705 135 HE3 LYS 18 HE3 LYS 18 24.468 48.041 13.582 136 HZ1 LYS 18 HZ1 LYS 18 23.054 48.202 11.612 137 HZ2 LYS 18 HZ2 LYS 18 24.531 47.562 11.221 138 HZ3 LYS 18 HZ3 LYS 18 23.221 46.583 11.316 139 H LEU 19 H LEU 19 24.260 45.539 17.876 140 HA LEU 19 HA LEU 19 22.362 43.625 19.021 141 HB2 LEU 19 HB2 LEU 19 22.083 46.624 18.622 142 HB3 LEU 19 HB3 LEU 19 21.121 45.624 19.691 143 HG LEU 19 HG LEU 19 24.114 46.147 20.019 144 HD11 LEU 19 HD11 LEU 19 23.448 47.603 21.869 145 HD12 LEU 19 HD12 LEU 19 22.770 48.179 20.338 146 HD13 LEU 19 HD13 LEU 19 21.730 47.320 21.499 147 HD21 LEU 19 HD21 LEU 19 23.434 44.021 21.052 148 HD22 LEU 19 HD22 LEU 19 23.790 45.241 22.284 149 HD23 LEU 19 HD23 LEU 19 22.102 44.846 21.895 150 H GLY 20 H GLY 20 20.259 43.184 18.256 151 HA2 GLY 20 HA2 GLY 20 18.561 42.909 16.709 152 HA3 GLY 20 HA3 GLY 20 19.248 44.206 15.730 153 H ASP 21 H ASP 21 21.906 42.515 15.673 154 HA ASP 21 HA ASP 21 21.187 40.699 13.450 155 HB2 ASP 21 HB2 ASP 21 23.882 41.406 14.648 156 HB3 ASP 21 HB3 ASP 21 23.640 40.204 13.387 157 H ASN 22 H ASN 22 19.764 39.852 15.489 158 HA ASN 22 HA ASN 22 21.121 38.305 17.470 159 HB2 ASN 22 HB2 ASN 22 18.185 38.392 16.681 160 HB3 ASN 22 HB3 ASN 22 18.807 37.679 18.151 161 HD21 ASN 22 HD21 ASN 22 17.690 41.249 18.738 162 HD22 ASN 22 HD22 ASN 22 16.933 39.944 17.812 163 H ASP 23 H ASP 23 20.188 37.357 14.251 164 HA ASP 23 HA ASP 23 19.756 34.577 14.551 165 HB2 ASP 23 HB2 ASP 23 19.400 35.829 12.487 166 HB3 ASP 23 HB3 ASP 23 21.124 36.193 12.369 167 H TYR 24 H TYR 24 22.791 36.376 14.822 168 HA TYR 24 HA TYR 24 24.585 34.092 14.847 169 HB2 TYR 24 HB2 TYR 24 25.437 36.306 14.432 170 HB3 TYR 24 HB3 TYR 24 24.751 36.928 15.926 171 HD1 TYR 24 HD1 TYR 24 27.340 34.613 14.550 172 HD2 TYR 24 HD2 TYR 24 25.944 36.800 17.999 173 HE1 TYR 24 HE1 TYR 24 29.461 34.094 15.741 174 HE2 TYR 24 HE2 TYR 24 28.063 36.251 19.197 175 HH TYR 24 HH TYR 24 30.646 34.294 17.676 176 H CYS 25 H CYS 25 23.105 36.021 17.534 177 HA CYS 25 HA CYS 25 24.141 34.280 19.576 178 HB2 CYS 25 HB2 CYS 25 21.918 36.343 19.599 179 HB3 CYS 25 HB3 CYS 25 22.417 35.442 21.028 180 H VAL 26 H VAL 26 21.076 34.142 17.730 181 HA VAL 26 HA VAL 26 19.808 32.136 19.340 182 HB VAL 26 HB VAL 26 19.642 32.704 16.358 183 HG11 VAL 26 HG11 VAL 26 18.958 30.380 16.620 184 HG12 VAL 26 HG12 VAL 26 17.970 30.781 18.046 185 HG13 VAL 26 HG13 VAL 26 17.518 31.372 16.434 186 HG21 VAL 26 HG21 VAL 26 18.741 34.464 17.894 187 HG22 VAL 26 HG22 VAL 26 17.473 33.693 16.942 188 HG23 VAL 26 HG23 VAL 26 17.698 33.247 18.647 189 H ARG 27 H ARG 27 22.086 31.726 16.535 190 HA ARG 27 HA ARG 27 22.230 28.908 16.592 191 HB2 ARG 27 HB2 ARG 27 22.949 30.576 14.823 192 HB3 ARG 27 HB3 ARG 27 24.337 30.975 15.831 193 HG2 ARG 27 HG2 ARG 27 25.008 28.506 15.708 194 HG3 ARG 27 HG3 ARG 27 23.650 28.300 14.576 195 HD2 ARG 27 HD2 ARG 27 25.526 28.680 13.231 196 HD3 ARG 27 HD3 ARG 27 24.644 30.201 13.207 197 HE ARG 27 HE ARG 27 26.755 30.062 15.266 198 HH11 ARG 27 HH11 ARG 27 26.223 30.896 11.871 199 HH12 ARG 27 HH12 ARG 27 27.659 31.929 11.899 200 HH21 ARG 27 HH21 ARG 27 28.498 31.328 15.108 201 HH22 ARG 27 HH22 ARG 27 28.870 32.126 13.561 202 H GLU 28 H GLU 28 24.445 31.330 18.086 203 HA GLU 28 HA GLU 28 26.039 29.260 19.308 204 HB2 GLU 28 HB2 GLU 28 25.785 32.190 19.979 205 HB3 GLU 28 HB3 GLU 28 27.071 31.136 20.567 206 HG2 GLU 28 HG2 GLU 28 26.583 31.953 17.670 207 HG3 GLU 28 HG3 GLU 28 27.920 32.439 18.703 208 H CYS 29 H CYS 29 23.128 30.934 20.506 209 HA CYS 29 HA CYS 29 23.322 29.934 23.212 210 HB2 CYS 29 HB2 CYS 29 21.926 31.881 22.636 211 HB3 CYS 29 HB3 CYS 29 20.944 30.869 21.571 212 H ARG 30 H ARG 30 21.525 28.757 20.292 213 HA ARG 30 HA ARG 30 20.517 26.441 21.684 214 HB2 ARG 30 HB2 ARG 30 19.535 25.794 19.693 215 HB3 ARG 30 HB3 ARG 30 19.534 27.553 19.635 216 HG2 ARG 30 HG2 ARG 30 21.605 27.411 18.196 217 HG3 ARG 30 HG3 ARG 30 21.393 25.662 18.116 218 HD2 ARG 30 HD2 ARG 30 19.435 27.793 17.146 219 HD3 ARG 30 HD3 ARG 30 20.529 26.849 16.130 220 HE ARG 30 HE ARG 30 18.497 25.443 17.813 221 HH11 ARG 30 HH11 ARG 30 19.565 26.098 14.493 222 HH12 ARG 30 HH12 ARG 30 18.351 24.975 13.889 223 HH21 ARG 30 HH21 ARG 30 17.062 24.117 16.891 224 HH22 ARG 30 HH22 ARG 30 17.004 23.979 15.153 225 H LEU 31 H LEU 31 23.608 26.975 20.109 226 HA LEU 31 HA LEU 31 24.352 24.136 20.349 227 HB2 LEU 31 HB2 LEU 31 25.932 26.671 19.776 228 HB3 LEU 31 HB3 LEU 31 26.639 25.058 19.787 229 HG LEU 31 HG LEU 31 24.367 25.881 17.921 230 HD11 LEU 31 HD11 LEU 31 27.347 25.616 17.375 231 HD12 LEU 31 HD12 LEU 31 26.081 25.974 16.179 232 HD13 LEU 31 HD13 LEU 31 26.440 27.142 17.460 233 HD21 LEU 31 HD21 LEU 31 25.052 23.858 16.662 234 HD22 LEU 31 HD22 LEU 31 26.143 23.416 17.991 235 HD23 LEU 31 HD23 LEU 31 24.384 23.478 18.248 236 H ARG 32 H ARG 32 24.322 26.826 22.564 237 HA ARG 32 HA ARG 32 26.149 25.516 24.481 238 HB2 ARG 32 HB2 ARG 32 26.197 27.926 24.275 239 HB3 ARG 32 HB3 ARG 32 24.483 28.058 24.616 240 HG2 ARG 32 HG2 ARG 32 26.060 28.664 26.514 241 HG3 ARG 32 HG3 ARG 32 24.752 27.551 26.903 242 HD2 ARG 32 HD2 ARG 32 26.879 26.945 27.974 243 HD3 ARG 32 HD3 ARG 32 26.251 25.675 26.924 244 HE ARG 32 HE ARG 32 28.089 27.250 25.403 245 HH11 ARG 32 HH11 ARG 32 28.127 24.823 27.987 246 HH12 ARG 32 HH12 ARG 32 29.756 24.335 27.518 247 HH21 ARG 32 HH21 ARG 32 29.997 26.459 24.863 248 HH22 ARG 32 HH22 ARG 32 30.748 25.162 25.790 249 H TYR 33 H TYR 33 22.704 26.504 24.603 250 HA TYR 33 HA TYR 33 22.288 24.731 26.918 251 HB2 TYR 33 HB2 TYR 33 20.462 26.669 25.480 252 HB3 TYR 33 HB3 TYR 33 19.936 25.626 26.797 253 HD1 TYR 33 HD1 TYR 33 20.819 25.880 29.083 254 HD2 TYR 33 HD2 TYR 33 21.949 28.601 25.938 255 HE1 TYR 33 HE1 TYR 33 21.708 27.476 30.780 256 HE2 TYR 33 HE2 TYR 33 22.829 30.204 27.645 257 HH TYR 33 HH TYR 33 23.163 30.628 29.907 258 H TYR 34 H TYR 34 20.037 24.926 24.138 259 HA TYR 34 HA TYR 34 20.528 22.175 23.348 260 HB2 TYR 34 HB2 TYR 34 18.099 21.512 23.760 261 HB3 TYR 34 HB3 TYR 34 19.187 21.525 25.121 262 HD1 TYR 34 HD1 TYR 34 16.442 23.499 23.513 263 HD2 TYR 34 HD2 TYR 34 18.738 22.760 27.081 264 HE1 TYR 34 HE1 TYR 34 14.807 24.841 24.840 265 HE2 TYR 34 HE2 TYR 34 17.118 24.117 28.398 266 HH TYR 34 HH TYR 34 14.130 25.423 26.958 267 H GLN 35 H GLN 35 19.445 21.602 21.410 268 HA GLN 35 HA GLN 35 19.454 23.524 19.490 269 HB2 GLN 35 HB2 GLN 35 18.577 21.865 17.976 270 HB3 GLN 35 HB3 GLN 35 19.666 21.167 19.147 271 HG2 GLN 35 HG2 GLN 35 18.071 19.542 19.125 272 HG3 GLN 35 HG3 GLN 35 17.485 20.491 20.480 273 HE21 GLN 35 HE21 GLN 35 14.466 19.826 18.535 274 HE22 GLN 35 HE22 GLN 35 15.482 19.078 19.757 275 H SER 36 H SER 36 16.507 22.676 21.316 276 HA SER 36 HA SER 36 14.745 24.279 19.710 277 HB2 SER 36 HB2 SER 36 14.321 23.353 22.568 278 HB3 SER 36 HB3 SER 36 13.088 23.819 21.386 279 HG SER 36 HG SER 36 13.781 22.062 20.086 280 H ALA 37 H ALA 37 17.183 25.442 21.726 281 HA ALA 37 HA ALA 37 15.723 27.476 23.113 282 HB1 ALA 37 HB1 ALA 37 17.919 28.263 23.817 283 HB2 ALA 37 HB2 ALA 37 17.854 26.495 23.896 284 HB3 ALA 37 HB3 ALA 37 18.698 27.305 22.550 285 H HIS 38 H HIS 38 16.346 29.784 23.067 286 HA HIS 38 HA HIS 38 16.827 31.047 20.432 287 HB2 HIS 38 HB2 HIS 38 14.381 31.435 22.197 288 HB3 HIS 38 HB3 HIS 38 14.880 32.632 21.014 289 HD2 HIS 38 HD2 HIS 38 14.967 31.821 18.370 290 HE1 HIS 38 HE1 HIS 38 12.234 28.600 18.883 291 HE2 HIS 38 HE2 HIS 38 13.380 30.061 17.187 292 H GLY 39 H GLY 39 17.028 33.539 20.729 293 HA2 GLY 39 HA2 GLY 39 17.686 34.741 23.171 294 HA3 GLY 39 HA3 GLY 39 19.182 34.030 22.573 295 H TYR 40 H TYR 40 19.396 36.582 22.916 296 HA TYR 40 HA TYR 40 19.580 37.718 20.213 297 HB2 TYR 40 HB2 TYR 40 18.533 39.820 20.793 298 HB3 TYR 40 HB3 TYR 40 17.406 38.501 20.912 299 HD1 TYR 40 HD1 TYR 40 16.696 37.672 23.226 300 HD2 TYR 40 HD2 TYR 40 18.937 41.300 22.614 301 HE1 TYR 40 HE1 TYR 40 15.983 38.510 25.472 302 HE2 TYR 40 HE2 TYR 40 18.230 42.116 24.847 303 HH TYR 40 HH TYR 40 16.968 41.707 26.706 304 H CYS 41 H CYS 41 20.751 39.861 20.236 305 HA CYS 41 HA CYS 41 23.167 39.622 21.956 306 HB2 CYS 41 HB2 CYS 41 23.454 39.776 19.507 307 HB3 CYS 41 HB3 CYS 41 22.600 41.314 19.503 308 H TYR 42 H TYR 42 23.521 40.963 23.640 309 HA TYR 42 HA TYR 42 22.046 43.525 23.946 310 HB2 TYR 42 HB2 TYR 42 20.574 41.738 24.774 311 HB3 TYR 42 HB3 TYR 42 21.861 41.099 25.777 312 HD1 TYR 42 HD1 TYR 42 20.267 44.484 25.196 313 HD2 TYR 42 HD2 TYR 42 21.566 41.521 28.055 314 HE1 TYR 42 HE1 TYR 42 19.519 45.945 27.054 315 HE2 TYR 42 HE2 TYR 42 20.784 42.986 29.914 316 HH TYR 42 HH TYR 42 19.255 46.175 29.316 317 H ALA 43 H ALA 43 23.305 45.056 24.987 318 HA ALA 43 HA ALA 43 25.272 45.994 25.584 319 HB1 ALA 43 HB1 ALA 43 25.330 43.780 27.668 320 HB2 ALA 43 HB2 ALA 43 26.152 45.350 27.757 321 HB3 ALA 43 HB3 ALA 43 24.380 45.280 27.770 322 H PHE 44 H PHE 44 25.521 44.115 23.411 323 HA PHE 44 HA PHE 44 26.977 43.035 22.101 324 HB2 PHE 44 HB2 PHE 44 29.108 44.567 23.597 325 HB3 PHE 44 HB3 PHE 44 29.298 43.758 22.049 326 HD1 PHE 44 HD1 PHE 44 28.443 44.700 19.992 327 HD2 PHE 44 HD2 PHE 44 27.597 46.596 23.776 328 HE1 PHE 44 HE1 PHE 44 27.595 46.706 18.802 329 HE2 PHE 44 HE2 PHE 44 26.730 48.592 22.578 330 HZ PHE 44 HZ PHE 44 26.735 48.653 20.093 331 H ALA 45 H ALA 45 26.140 41.635 24.524 332 HA ALA 45 HA ALA 45 27.884 39.307 24.034 333 HB1 ALA 45 HB1 ALA 45 28.636 40.204 26.199 334 HB2 ALA 45 HB2 ALA 45 26.964 40.193 26.803 335 HB3 ALA 45 HB3 ALA 45 27.785 38.663 26.418 336 H CYS 46 H CYS 46 26.714 37.266 24.126 337 HA CYS 46 HA CYS 46 23.946 37.657 23.287 338 HB2 CYS 46 HB2 CYS 46 25.580 35.161 23.660 339 HB3 CYS 46 HB3 CYS 46 23.939 35.178 23.021 340 H TRP 47 H TRP 47 22.057 37.152 24.207 341 HA TRP 47 HA TRP 47 21.949 36.050 26.987 342 HB2 TRP 47 HB2 TRP 47 21.758 38.525 26.886 343 HB3 TRP 47 HB3 TRP 47 20.393 38.372 25.796 344 HD1 TRP 47 HD1 TRP 47 18.084 38.172 26.859 345 HE1 TRP 47 HE1 TRP 47 17.180 38.350 29.259 346 HE3 TRP 47 HE3 TRP 47 22.440 37.542 29.409 347 HZ2 TRP 47 HZ2 TRP 47 18.182 38.018 31.938 348 HZ3 TRP 47 HZ3 TRP 47 22.453 37.487 31.918 349 HH2 TRP 47 HH2 TRP 47 20.327 37.721 33.178 350 H CYS 48 H CYS 48 20.673 34.312 27.127 351 HA CYS 48 HA CYS 48 19.117 33.391 24.790 352 HB2 CYS 48 HB2 CYS 48 19.993 32.126 27.393 353 HB3 CYS 48 HB3 CYS 48 18.973 31.316 26.205 354 H THR 49 H THR 49 16.942 32.802 24.884 355 HA THR 49 HA THR 49 15.352 33.778 27.213 356 HB THR 49 HB THR 49 13.680 34.709 25.788 357 HG1 THR 49 HG1 THR 49 13.645 33.582 24.002 358 HG21 THR 49 HG21 THR 49 16.353 35.747 24.784 359 HG22 THR 49 HG22 THR 49 14.788 36.590 24.791 360 HG23 THR 49 HG23 THR 49 15.591 36.200 26.320 361 H HIS 50 H HIS 50 13.299 32.931 27.500 362 HA HIS 50 HA HIS 50 11.770 31.281 27.715 363 HB2 HIS 50 HB2 HIS 50 12.314 30.618 24.815 364 HB3 HIS 50 HB3 HIS 50 10.873 30.236 25.748 365 HD2 HIS 50 HD2 HIS 50 9.143 32.231 26.247 366 HE1 HIS 50 HE1 HIS 50 10.993 35.176 23.788 367 HE2 HIS 50 HE2 HIS 50 8.904 34.607 25.147 368 H LEU 51 H LEU 51 14.370 30.551 28.643 369 HA LEU 51 HA LEU 51 14.800 27.728 27.890 370 HB2 LEU 51 HB2 LEU 51 16.184 29.394 30.011 371 HB3 LEU 51 HB3 LEU 51 16.675 27.817 29.434 372 HG LEU 51 HG LEU 51 16.756 30.384 27.795 373 HD11 LEU 51 HD11 LEU 51 18.877 28.695 29.200 374 HD12 LEU 51 HD12 LEU 51 19.247 29.971 28.044 375 HD13 LEU 51 HD13 LEU 51 18.420 30.380 29.554 376 HD21 LEU 51 HD21 LEU 51 18.073 29.028 26.193 377 HD22 LEU 51 HD22 LEU 51 17.749 27.564 27.150 378 HD23 LEU 51 HD23 LEU 51 16.420 28.419 26.334 379 H TYR 52 H TYR 52 15.086 26.168 29.682 380 HA TYR 52 HA TYR 52 12.902 25.847 31.469 381 HB2 TYR 52 HB2 TYR 52 14.337 24.050 32.435 382 HB3 TYR 52 HB3 TYR 52 14.109 23.970 30.707 383 HD1 TYR 52 HD1 TYR 52 16.734 26.433 31.376 384 HD2 TYR 52 HD2 TYR 52 15.899 22.200 31.151 385 HE1 TYR 52 HE1 TYR 52 19.116 25.975 30.948 386 HE2 TYR 52 HE2 TYR 52 18.297 21.760 30.740 387 HH TYR 52 HH TYR 52 20.381 22.658 30.519 388 H GLU 53 H GLU 53 13.068 25.635 33.895 389 HA GLU 53 HA GLU 53 14.090 27.935 35.251 390 HB2 GLU 53 HB2 GLU 53 13.471 25.128 36.267 391 HB3 GLU 53 HB3 GLU 53 13.893 26.472 37.324 392 HG2 GLU 53 HG2 GLU 53 11.479 26.377 35.477 393 HG3 GLU 53 HG3 GLU 53 11.465 26.141 37.222 394 H GLN 54 H GLN 54 15.818 25.067 34.243 395 HA GLN 54 HA GLN 54 18.041 25.400 36.080 396 HB2 GLN 54 HB2 GLN 54 17.957 23.694 33.581 397 HB3 GLN 54 HB3 GLN 54 19.004 23.504 34.976 398 HG2 GLN 54 HG2 GLN 54 16.011 22.966 34.803 399 HG3 GLN 54 HG3 GLN 54 17.298 21.803 35.050 400 HE21 GLN 54 HE21 GLN 54 17.759 23.159 38.556 401 HE22 GLN 54 HE22 GLN 54 18.807 22.889 37.172 402 H ALA 55 H ALA 55 17.318 27.579 33.900 403 HA ALA 55 HA ALA 55 19.667 27.931 32.299 404 HB1 ALA 55 HB1 ALA 55 18.762 30.191 31.963 405 HB2 ALA 55 HB2 ALA 55 17.464 28.984 31.869 406 HB3 ALA 55 HB3 ALA 55 17.657 29.974 33.331 407 H VAL 56 H VAL 56 21.194 29.774 32.478 408 HA VAL 56 HA VAL 56 22.193 30.240 35.260 409 HB VAL 56 HB VAL 56 23.781 29.398 32.813 410 HG11 VAL 56 HG11 VAL 56 24.735 30.067 35.626 411 HG12 VAL 56 HG12 VAL 56 25.720 29.312 34.358 412 HG13 VAL 56 HG13 VAL 56 25.128 30.949 34.120 413 HG21 VAL 56 HG21 VAL 56 24.352 27.412 34.194 414 HG22 VAL 56 HG22 VAL 56 23.230 27.973 35.453 415 HG23 VAL 56 HG23 VAL 56 22.624 27.493 33.852 416 H VAL 57 H VAL 57 22.919 32.304 35.688 417 HA VAL 57 HA VAL 57 22.650 34.353 33.538 418 HB VAL 57 HB VAL 57 22.580 36.009 35.261 419 HG11 VAL 57 HG11 VAL 57 20.502 34.925 34.500 420 HG12 VAL 57 HG12 VAL 57 20.600 33.813 35.881 421 HG13 VAL 57 HG13 VAL 57 20.411 35.552 36.153 422 HG21 VAL 57 HG21 VAL 57 22.427 35.483 37.640 423 HG22 VAL 57 HG22 VAL 57 22.653 33.755 37.320 424 HG23 VAL 57 HG23 VAL 57 23.979 34.899 37.032 425 H TRP 58 H TRP 58 24.345 36.325 34.859 426 HA TRP 58 HA TRP 58 26.606 36.073 33.319 427 HB2 TRP 58 HB2 TRP 58 26.549 37.634 35.911 428 HB3 TRP 58 HB3 TRP 58 27.409 38.033 34.432 429 HD1 TRP 58 HD1 TRP 58 25.976 39.102 32.442 430 HE1 TRP 58 HE1 TRP 58 23.699 40.271 32.342 431 HE3 TRP 58 HE3 TRP 58 24.245 37.838 37.090 432 HZ2 TRP 58 HZ2 TRP 58 21.404 40.621 34.094 433 HZ3 TRP 58 HZ3 TRP 58 22.018 38.628 37.852 434 HH2 TRP 58 HH2 TRP 58 20.588 39.996 36.356 435 HA PRO 59 HA PRO 59 29.520 33.382 34.926 436 HB2 PRO 59 HB2 PRO 59 31.592 35.587 34.968 437 HB3 PRO 59 HB3 PRO 59 31.728 33.930 34.307 438 HG2 PRO 59 HG2 PRO 59 31.251 36.012 32.646 439 HG3 PRO 59 HG3 PRO 59 30.332 34.487 32.436 440 HD2 PRO 59 HD2 PRO 59 29.460 37.041 33.795 441 HD3 PRO 59 HD3 PRO 59 28.560 35.986 32.666 442 H LEU 60 H LEU 60 30.705 32.585 36.697 443 HA LEU 60 HA LEU 60 30.215 33.906 39.287 444 HB2 LEU 60 HB2 LEU 60 31.463 31.251 38.473 445 HB3 LEU 60 HB3 LEU 60 31.541 31.871 40.114 446 HG LEU 60 HG LEU 60 29.023 31.976 40.172 447 HD11 LEU 60 HD11 LEU 60 28.415 31.908 37.805 448 HD12 LEU 60 HD12 LEU 60 29.267 30.360 37.592 449 HD13 LEU 60 HD13 LEU 60 27.801 30.461 38.591 450 HD21 LEU 60 HD21 LEU 60 30.315 30.155 41.209 451 HD22 LEU 60 HD22 LEU 60 28.787 29.556 40.554 452 HD23 LEU 60 HD23 LEU 60 30.300 29.253 39.674 453 HA PRO 61 HA PRO 61 34.132 36.088 39.195 454 HB2 PRO 61 HB2 PRO 61 34.627 36.440 41.893 455 HB3 PRO 61 HB3 PRO 61 33.407 37.364 40.971 456 HG2 PRO 61 HG2 PRO 61 32.963 34.883 42.657 457 HG3 PRO 61 HG3 PRO 61 32.047 36.427 42.695 458 HD2 PRO 61 HD2 PRO 61 31.129 34.304 41.309 459 HD3 PRO 61 HD3 PRO 61 31.000 35.947 40.610 460 H ASN 62 H ASN 62 33.800 33.078 40.953 461 HA ASN 62 HA ASN 62 36.518 32.367 41.374 462 HB2 ASN 62 HB2 ASN 62 33.962 30.773 40.823 463 HB3 ASN 62 HB3 ASN 62 35.498 30.026 41.209 464 HD21 ASN 62 HD21 ASN 62 35.070 30.419 44.663 465 HD22 ASN 62 HD22 ASN 62 35.714 29.523 43.306 466 H LYS 63 H LYS 63 34.530 32.169 38.429 467 HA LYS 63 HA LYS 63 36.388 30.421 36.993 468 HB2 LYS 63 HB2 LYS 63 33.792 31.795 36.212 469 HB3 LYS 63 HB3 LYS 63 34.695 30.750 35.126 470 HG2 LYS 63 HG2 LYS 63 33.758 29.739 37.838 471 HG3 LYS 63 HG3 LYS 63 32.718 29.736 36.418 472 HD2 LYS 63 HD2 LYS 63 34.336 28.359 35.171 473 HD3 LYS 63 HD3 LYS 63 35.403 28.308 36.593 474 HE2 LYS 63 HE2 LYS 63 33.722 27.143 37.900 475 HE3 LYS 63 HE3 LYS 63 32.500 27.378 36.640 476 HZ1 LYS 63 HZ1 LYS 63 33.530 25.117 36.631 477 HZ2 LYS 63 HZ2 LYS 63 33.710 25.904 35.199 478 HZ3 LYS 63 HZ3 LYS 63 34.963 25.767 36.255 479 H ARG 64 H ARG 64 38.051 32.209 37.551 480 HA ARG 64 HA ARG 64 38.186 34.648 36.034 481 HB2 ARG 64 HB2 ARG 64 39.291 34.292 38.163 482 HB3 ARG 64 HB3 ARG 64 40.376 33.093 37.451 483 HG2 ARG 64 HG2 ARG 64 41.425 34.742 36.024 484 HG3 ARG 64 HG3 ARG 64 40.205 35.965 36.421 485 HD2 ARG 64 HD2 ARG 64 42.113 34.727 38.444 486 HD3 ARG 64 HD3 ARG 64 42.408 36.257 37.587 487 HE ARG 64 HE ARG 64 39.820 36.299 38.848 488 HH11 ARG 64 HH11 ARG 64 43.222 36.654 39.762 489 HH12 ARG 64 HH12 ARG 64 42.809 37.798 41.023 490 HH21 ARG 64 HH21 ARG 64 39.389 37.513 40.471 491 HH22 ARG 64 HH22 ARG 64 40.650 38.263 41.458 492 H CYS 65 H CYS 65 38.114 34.543 33.829 493 HA CYS 65 HA CYS 65 39.441 32.542 32.260 494 HB2 CYS 65 HB2 CYS 65 37.419 33.759 31.580 495 HB3 CYS 65 HB3 CYS 65 38.337 35.255 31.427 496 H LYS 66 H LYS 66 41.447 32.368 31.498 497 HA LYS 66 HA LYS 66 43.626 32.691 31.124 498 HB2 LYS 66 HB2 LYS 66 42.642 35.405 30.188 499 HB3 LYS 66 HB3 LYS 66 44.258 34.764 29.871 500 HG2 LYS 66 HG2 LYS 66 43.394 32.871 28.650 501 HG3 LYS 66 HG3 LYS 66 41.726 33.292 29.022 502 HD2 LYS 66 HD2 LYS 66 43.593 35.064 27.395 503 HD3 LYS 66 HD3 LYS 66 42.471 33.879 26.701 504 HE2 LYS 66 HE2 LYS 66 40.553 35.033 27.740 505 HE3 LYS 66 HE3 LYS 66 41.647 36.221 28.466 506 HZ1 LYS 66 HZ1 LYS 66 41.229 35.807 25.552 507 HZ2 LYS 66 HZ2 LYS 66 40.708 37.097 26.440 508 HZ3 LYS 66 HZ3 LYS 66 42.318 36.858 26.206 509 HN1 NH2 67 HN1 NH2 67 42.935 33.041 33.855 510 HN2 NH2 67 HN2 NH2 67 44.179 34.073 34.542 Start of MODEL 19 1 H1 LYS 1 H1 LYS 1 11.648 33.090 29.707 2 H2 LYS 1 H2 LYS 1 11.033 32.379 31.070 3 H3 LYS 1 H3 LYS 1 12.066 31.566 30.088 4 HA LYS 1 HA LYS 1 12.730 33.957 31.652 5 HB2 LYS 1 HB2 LYS 1 12.375 31.970 33.054 6 HB3 LYS 1 HB3 LYS 1 13.571 31.070 32.113 7 HG2 LYS 1 HG2 LYS 1 15.346 32.515 32.895 8 HG3 LYS 1 HG3 LYS 1 14.202 33.640 33.649 9 HD2 LYS 1 HD2 LYS 1 14.339 30.711 34.471 10 HD3 LYS 1 HD3 LYS 1 15.451 31.909 35.119 11 HE2 LYS 1 HE2 LYS 1 13.620 33.235 36.039 12 HE3 LYS 1 HE3 LYS 1 12.418 32.146 35.312 13 HZ1 LYS 1 HZ1 LYS 1 14.438 31.249 37.299 14 HZ2 LYS 1 HZ2 LYS 1 12.911 31.649 37.705 15 HZ3 LYS 1 HZ3 LYS 1 13.213 30.369 36.702 16 H GLU 2 H GLU 2 14.842 34.753 31.486 17 HA GLU 2 HA GLU 2 16.363 34.001 29.026 18 HB2 GLU 2 HB2 GLU 2 15.775 36.887 29.757 19 HB3 GLU 2 HB3 GLU 2 16.366 36.231 28.255 20 HG2 GLU 2 HG2 GLU 2 14.181 36.956 27.831 21 HG3 GLU 2 HG3 GLU 2 14.109 35.198 27.863 22 H GLY 3 H GLY 3 18.618 34.766 28.972 23 HA2 GLY 3 HA2 GLY 3 19.741 36.325 31.078 24 HA3 GLY 3 HA3 GLY 3 19.985 34.633 31.468 25 H TYR 4 H TYR 4 22.058 36.208 31.343 26 HA TYR 4 HA TYR 4 23.362 36.657 28.853 27 HB2 TYR 4 HB2 TYR 4 23.600 37.773 31.147 28 HB3 TYR 4 HB3 TYR 4 24.591 36.421 31.625 29 HD1 TYR 4 HD1 TYR 4 26.852 36.068 30.455 30 HD2 TYR 4 HD2 TYR 4 24.434 39.605 29.911 31 HE1 TYR 4 HE1 TYR 4 28.862 37.352 29.754 32 HE2 TYR 4 HE2 TYR 4 26.445 40.872 29.190 33 HH TYR 4 HH TYR 4 28.682 40.792 28.743 34 H LEU 5 H LEU 5 24.723 35.409 27.567 35 HA LEU 5 HA LEU 5 25.048 32.608 28.300 36 HB2 LEU 5 HB2 LEU 5 24.276 33.258 26.083 37 HB3 LEU 5 HB3 LEU 5 25.801 34.085 25.780 38 HG LEU 5 HG LEU 5 27.010 31.909 25.946 39 HD11 LEU 5 HD11 LEU 5 25.519 30.608 27.402 40 HD12 LEU 5 HD12 LEU 5 24.235 30.684 26.178 41 HD13 LEU 5 HD13 LEU 5 25.739 29.797 25.852 42 HD21 LEU 5 HD21 LEU 5 26.217 32.730 23.755 43 HD22 LEU 5 HD22 LEU 5 26.218 30.965 23.831 44 HD23 LEU 5 HD23 LEU 5 24.684 31.856 23.982 45 H VAL 6 H VAL 6 26.704 31.565 29.047 46 HA VAL 6 HA VAL 6 29.476 32.535 28.816 47 HB VAL 6 HB VAL 6 28.496 33.491 30.917 48 HG11 VAL 6 HG11 VAL 6 27.041 31.570 31.575 49 HG12 VAL 6 HG12 VAL 6 28.496 30.612 31.931 50 HG13 VAL 6 HG13 VAL 6 28.143 32.076 32.867 51 HG21 VAL 6 HG21 VAL 6 30.766 31.523 31.415 52 HG22 VAL 6 HG22 VAL 6 30.929 33.126 30.653 53 HG23 VAL 6 HG23 VAL 6 30.384 32.990 32.329 54 H ASP 7 H ASP 7 31.049 30.895 29.138 55 HA ASP 7 HA ASP 7 30.196 28.207 28.411 56 HB2 ASP 7 HB2 ASP 7 32.234 29.341 27.532 57 HB3 ASP 7 HB3 ASP 7 32.955 29.263 29.144 58 H TYR 8 H TYR 8 30.708 26.268 29.638 59 HA TYR 8 HA TYR 8 29.799 26.632 32.376 60 HB2 TYR 8 HB2 TYR 8 29.226 24.417 32.347 61 HB3 TYR 8 HB3 TYR 8 29.062 24.873 30.671 62 HD1 TYR 8 HD1 TYR 8 31.412 24.475 29.246 63 HD2 TYR 8 HD2 TYR 8 30.145 22.321 32.760 64 HE1 TYR 8 HE1 TYR 8 32.913 22.638 28.639 65 HE2 TYR 8 HE2 TYR 8 31.647 20.441 32.130 66 HH TYR 8 HH TYR 8 33.886 20.598 29.371 67 H HIS 9 H HIS 9 32.895 26.540 31.107 68 HA HIS 9 HA HIS 9 34.131 25.478 33.620 69 HB2 HIS 9 HB2 HIS 9 34.062 24.129 31.291 70 HB3 HIS 9 HB3 HIS 9 35.489 25.101 30.974 71 HD2 HIS 9 HD2 HIS 9 34.137 22.227 33.064 72 HE1 HIS 9 HE1 HIS 9 38.191 22.628 34.280 73 HE2 HIS 9 HE2 HIS 9 36.119 21.197 34.461 74 H THR 10 H THR 10 33.891 28.307 31.886 75 HA THR 10 HA THR 10 35.935 29.508 33.499 76 HB THR 10 HB THR 10 37.396 28.770 31.644 77 HG1 THR 10 HG1 THR 10 38.238 30.474 32.424 78 HG21 THR 10 HG21 THR 10 35.846 28.876 29.720 79 HG22 THR 10 HG22 THR 10 35.766 30.644 29.871 80 HG23 THR 10 HG23 THR 10 37.296 29.861 29.457 81 H GLY 11 H GLY 11 35.452 31.690 33.840 82 HA2 GLY 11 HA2 GLY 11 32.771 32.419 33.327 83 HA3 GLY 11 HA3 GLY 11 34.003 33.446 34.068 84 H CYS 12 H CYS 12 34.696 32.418 30.816 85 HA CYS 12 HA CYS 12 34.771 35.151 29.881 86 HB2 CYS 12 HB2 CYS 12 35.156 32.527 28.425 87 HB3 CYS 12 HB3 CYS 12 35.525 34.122 27.774 88 H LYS 13 H LYS 13 33.159 36.278 29.233 89 HA LYS 13 HA LYS 13 30.537 35.574 28.537 90 HB2 LYS 13 HB2 LYS 13 30.419 37.925 27.737 91 HB3 LYS 13 HB3 LYS 13 31.250 37.779 29.287 92 HG2 LYS 13 HG2 LYS 13 33.466 37.830 27.973 93 HG3 LYS 13 HG3 LYS 13 32.522 38.274 26.553 94 HD2 LYS 13 HD2 LYS 13 32.511 39.825 29.178 95 HD3 LYS 13 HD3 LYS 13 33.639 40.142 27.853 96 HE2 LYS 13 HE2 LYS 13 31.801 40.663 26.326 97 HE3 LYS 13 HE3 LYS 13 30.610 40.269 27.574 98 HZ1 LYS 13 HZ1 LYS 13 32.609 42.451 27.750 99 HZ2 LYS 13 HZ2 LYS 13 31.014 42.640 27.409 100 HZ3 LYS 13 HZ3 LYS 13 31.471 42.094 28.903 101 H TYR 14 H TYR 14 29.340 35.424 26.636 102 HA TYR 14 HA TYR 14 30.822 34.871 24.114 103 HB2 TYR 14 HB2 TYR 14 28.008 34.443 25.071 104 HB3 TYR 14 HB3 TYR 14 28.325 34.592 23.344 105 HD1 TYR 14 HD1 TYR 14 29.547 32.713 26.378 106 HD2 TYR 14 HD2 TYR 14 29.095 32.785 22.084 107 HE1 TYR 14 HE1 TYR 14 30.535 30.425 26.224 108 HE2 TYR 14 HE2 TYR 14 30.060 30.506 21.951 109 HH TYR 14 HH TYR 14 31.800 29.151 23.471 110 H THR 15 H THR 15 31.556 36.626 23.121 111 HA THR 15 HA THR 15 30.495 39.261 23.462 112 HB THR 15 HB THR 15 32.290 39.815 21.747 113 HG1 THR 15 HG1 THR 15 33.751 38.053 21.394 114 HG21 THR 15 HG21 THR 15 34.125 39.368 23.254 115 HG22 THR 15 HG22 THR 15 32.704 39.732 24.233 116 HG23 THR 15 HG23 THR 15 33.242 38.047 24.053 117 H CYS 16 H CYS 16 29.632 40.722 22.032 118 HA CYS 16 HA CYS 16 28.722 39.799 19.340 119 HB2 CYS 16 HB2 CYS 16 27.146 41.383 21.387 120 HB3 CYS 16 HB3 CYS 16 26.792 41.431 19.677 121 H ALA 17 H ALA 17 28.664 41.452 17.752 122 HA ALA 17 HA ALA 17 30.575 43.697 18.241 123 HB1 ALA 17 HB1 ALA 17 29.648 42.310 15.689 124 HB2 ALA 17 HB2 ALA 17 30.853 43.612 15.788 125 HB3 ALA 17 HB3 ALA 17 31.185 42.038 16.543 126 H LYS 18 H LYS 18 27.299 42.994 17.277 127 HA LYS 18 HA LYS 18 26.499 45.867 17.108 128 HB2 LYS 18 HB2 LYS 18 26.980 45.266 14.881 129 HB3 LYS 18 HB3 LYS 18 26.201 43.691 15.026 130 HG2 LYS 18 HG2 LYS 18 24.032 44.592 14.875 131 HG3 LYS 18 HG3 LYS 18 24.596 46.248 15.192 132 HD2 LYS 18 HD2 LYS 18 25.622 46.463 13.082 133 HD3 LYS 18 HD3 LYS 18 25.622 44.732 12.764 134 HE2 LYS 18 HE2 LYS 18 23.032 46.317 12.971 135 HE3 LYS 18 HE3 LYS 18 23.966 46.219 11.475 136 HZ1 LYS 18 HZ1 LYS 18 22.311 44.457 11.510 137 HZ2 LYS 18 HZ2 LYS 18 23.802 43.798 11.581 138 HZ3 LYS 18 HZ3 LYS 18 22.874 43.850 12.916 139 H LEU 19 H LEU 19 24.431 46.267 17.664 140 HA LEU 19 HA LEU 19 23.368 44.294 19.613 141 HB2 LEU 19 HB2 LEU 19 22.718 47.232 19.209 142 HB3 LEU 19 HB3 LEU 19 22.154 46.230 20.543 143 HG LEU 19 HG LEU 19 25.087 46.898 19.983 144 HD11 LEU 19 HD11 LEU 19 23.808 48.863 20.654 145 HD12 LEU 19 HD12 LEU 19 23.131 47.981 22.041 146 HD13 LEU 19 HD13 LEU 19 24.868 48.342 21.970 147 HD21 LEU 19 HD21 LEU 19 24.891 44.766 21.194 148 HD22 LEU 19 HD22 LEU 19 25.454 46.049 22.273 149 HD23 LEU 19 HD23 LEU 19 23.760 45.515 22.357 150 H GLY 20 H GLY 20 21.197 43.677 19.825 151 HA2 GLY 20 HA2 GLY 20 19.044 43.212 19.165 152 HA3 GLY 20 HA3 GLY 20 19.146 44.499 17.962 153 H ASP 21 H ASP 21 21.706 42.573 17.234 154 HA ASP 21 HA ASP 21 20.450 41.038 15.103 155 HB2 ASP 21 HB2 ASP 21 23.258 41.405 16.178 156 HB3 ASP 21 HB3 ASP 21 22.911 40.048 15.124 157 H ASN 22 H ASN 22 20.683 38.733 14.854 158 HA ASN 22 HA ASN 22 20.588 37.147 17.359 159 HB2 ASN 22 HB2 ASN 22 18.360 36.241 16.768 160 HB3 ASN 22 HB3 ASN 22 18.356 37.939 17.195 161 HD21 ASN 22 HD21 ASN 22 16.096 37.880 14.406 162 HD22 ASN 22 HD22 ASN 22 16.132 37.455 16.103 163 H ASP 23 H ASP 23 20.914 37.027 13.797 164 HA ASP 23 HA ASP 23 20.800 34.267 13.404 165 HB2 ASP 23 HB2 ASP 23 22.848 36.082 12.085 166 HB3 ASP 23 HB3 ASP 23 22.335 34.509 11.512 167 H TYR 24 H TYR 24 23.662 36.092 14.542 168 HA TYR 24 HA TYR 24 25.406 33.832 14.831 169 HB2 TYR 24 HB2 TYR 24 26.461 35.888 14.681 170 HB3 TYR 24 HB3 TYR 24 25.334 36.671 15.774 171 HD1 TYR 24 HD1 TYR 24 28.069 34.063 15.813 172 HD2 TYR 24 HD2 TYR 24 25.904 37.126 17.951 173 HE1 TYR 24 HE1 TYR 24 29.660 33.865 17.729 174 HE2 TYR 24 HE2 TYR 24 27.463 36.895 19.862 175 HH TYR 24 HH TYR 24 29.525 36.196 20.396 176 H CYS 25 H CYS 25 23.458 35.589 17.288 177 HA CYS 25 HA CYS 25 24.436 33.972 19.447 178 HB2 CYS 25 HB2 CYS 25 23.893 36.299 19.713 179 HB3 CYS 25 HB3 CYS 25 22.220 36.022 19.222 180 H VAL 26 H VAL 26 21.377 33.732 17.563 181 HA VAL 26 HA VAL 26 20.027 31.866 19.241 182 HB VAL 26 HB VAL 26 20.002 32.229 16.221 183 HG11 VAL 26 HG11 VAL 26 19.270 29.942 16.549 184 HG12 VAL 26 HG12 VAL 26 18.253 30.410 17.933 185 HG13 VAL 26 HG13 VAL 26 17.836 30.923 16.287 186 HG21 VAL 26 HG21 VAL 26 17.845 33.284 16.604 187 HG22 VAL 26 HG22 VAL 26 17.911 32.905 18.335 188 HG23 VAL 26 HG23 VAL 26 19.050 34.071 17.626 189 H ARG 27 H ARG 27 22.381 31.222 16.618 190 HA ARG 27 HA ARG 27 22.408 28.394 16.803 191 HB2 ARG 27 HB2 ARG 27 23.390 29.779 14.976 192 HB3 ARG 27 HB3 ARG 27 24.688 30.262 16.058 193 HG2 ARG 27 HG2 ARG 27 25.440 27.931 16.267 194 HG3 ARG 27 HG3 ARG 27 24.094 27.377 15.250 195 HD2 ARG 27 HD2 ARG 27 24.971 28.662 13.357 196 HD3 ARG 27 HD3 ARG 27 26.268 29.328 14.354 197 HE ARG 27 HE ARG 27 26.129 26.652 13.161 198 HH11 ARG 27 HH11 ARG 27 27.828 28.472 15.744 199 HH12 ARG 27 HH12 ARG 27 29.105 27.296 15.714 200 HH21 ARG 27 HH21 ARG 27 27.910 25.518 13.063 201 HH22 ARG 27 HH22 ARG 27 29.288 25.860 14.098 202 H GLU 28 H GLU 28 24.694 30.689 18.364 203 HA GLU 28 HA GLU 28 26.078 28.563 19.747 204 HB2 GLU 28 HB2 GLU 28 25.978 31.472 20.556 205 HB3 GLU 28 HB3 GLU 28 27.209 30.292 20.990 206 HG2 GLU 28 HG2 GLU 28 26.738 31.672 18.352 207 HG3 GLU 28 HG3 GLU 28 28.192 31.622 19.324 208 H CYS 29 H CYS 29 23.212 30.454 20.715 209 HA CYS 29 HA CYS 29 23.162 29.437 23.425 210 HB2 CYS 29 HB2 CYS 29 22.008 31.525 22.639 211 HB3 CYS 29 HB3 CYS 29 20.885 30.513 21.724 212 H ARG 30 H ARG 30 21.441 28.425 20.386 213 HA ARG 30 HA ARG 30 20.153 26.182 21.652 214 HB2 ARG 30 HB2 ARG 30 19.167 25.745 19.656 215 HB3 ARG 30 HB3 ARG 30 19.505 27.460 19.510 216 HG2 ARG 30 HG2 ARG 30 21.646 26.731 18.239 217 HG3 ARG 30 HG3 ARG 30 20.914 25.131 18.148 218 HD2 ARG 30 HD2 ARG 30 19.729 27.746 17.118 219 HD3 ARG 30 HD3 ARG 30 20.491 26.517 16.126 220 HE ARG 30 HE ARG 30 17.850 26.347 17.517 221 HH11 ARG 30 HH11 ARG 30 20.023 24.796 15.167 222 HH12 ARG 30 HH12 ARG 30 18.655 23.902 14.492 223 HH21 ARG 30 HH21 ARG 30 16.354 24.958 16.704 224 HH22 ARG 30 HH22 ARG 30 16.760 23.946 15.317 225 H LEU 31 H LEU 31 23.360 26.515 20.306 226 HA LEU 31 HA LEU 31 23.944 23.635 20.458 227 HB2 LEU 31 HB2 LEU 31 25.654 26.133 20.173 228 HB3 LEU 31 HB3 LEU 31 26.333 24.513 20.254 229 HG LEU 31 HG LEU 31 24.319 25.357 18.122 230 HD11 LEU 31 HD11 LEU 31 27.364 25.164 17.999 231 HD12 LEU 31 HD12 LEU 31 26.267 25.513 16.626 232 HD13 LEU 31 HD13 LEU 31 26.425 26.658 17.966 233 HD21 LEU 31 HD21 LEU 31 24.384 22.933 18.441 234 HD22 LEU 31 HD22 LEU 31 25.206 23.351 16.944 235 HD23 LEU 31 HD23 LEU 31 26.158 22.941 18.392 236 H ARG 32 H ARG 32 24.011 26.309 22.778 237 HA ARG 32 HA ARG 32 25.603 24.838 24.725 238 HB2 ARG 32 HB2 ARG 32 25.389 27.368 24.638 239 HB3 ARG 32 HB3 ARG 32 23.727 27.222 25.165 240 HG2 ARG 32 HG2 ARG 32 25.249 27.784 27.027 241 HG3 ARG 32 HG3 ARG 32 24.413 26.263 27.299 242 HD2 ARG 32 HD2 ARG 32 26.788 26.199 27.975 243 HD3 ARG 32 HD3 ARG 32 26.395 24.976 26.767 244 HE ARG 32 HE ARG 32 27.333 27.104 25.244 245 HH11 ARG 32 HH11 ARG 32 28.765 25.074 27.743 246 HH12 ARG 32 HH12 ARG 32 30.385 25.674 27.320 247 HH21 ARG 32 HH21 ARG 32 29.361 27.508 24.643 248 HH22 ARG 32 HH22 ARG 32 30.685 26.654 25.413 249 H TYR 33 H TYR 33 22.130 25.534 24.407 250 HA TYR 33 HA TYR 33 21.597 23.665 26.675 251 HB2 TYR 33 HB2 TYR 33 19.909 25.905 25.515 252 HB3 TYR 33 HB3 TYR 33 19.471 24.884 26.880 253 HD1 TYR 33 HD1 TYR 33 21.228 24.727 28.833 254 HD2 TYR 33 HD2 TYR 33 21.030 27.959 25.976 255 HE1 TYR 33 HE1 TYR 33 22.525 26.186 30.381 256 HE2 TYR 33 HE2 TYR 33 22.286 29.427 27.558 257 HH TYR 33 HH TYR 33 23.213 29.604 29.646 258 H TYR 34 H TYR 34 19.671 24.538 23.764 259 HA TYR 34 HA TYR 34 19.462 21.858 22.799 260 HB2 TYR 34 HB2 TYR 34 16.910 21.716 23.264 261 HB3 TYR 34 HB3 TYR 34 18.032 21.253 24.514 262 HD1 TYR 34 HD1 TYR 34 15.725 23.978 23.439 263 HD2 TYR 34 HD2 TYR 34 18.101 22.348 26.641 264 HE1 TYR 34 HE1 TYR 34 14.703 25.611 25.020 265 HE2 TYR 34 HE2 TYR 34 17.096 23.987 28.213 266 HH TYR 34 HH TYR 34 14.791 26.488 27.157 267 H GLN 35 H GLN 35 18.180 21.695 20.935 268 HA GLN 35 HA GLN 35 18.311 23.633 19.064 269 HB2 GLN 35 HB2 GLN 35 16.971 22.230 17.710 270 HB3 GLN 35 HB3 GLN 35 17.872 21.208 18.816 271 HG2 GLN 35 HG2 GLN 35 14.901 21.865 18.913 272 HG3 GLN 35 HG3 GLN 35 15.641 20.329 18.513 273 HE21 GLN 35 HE21 GLN 35 16.245 19.439 21.976 274 HE22 GLN 35 HE22 GLN 35 16.996 19.262 20.408 275 H SER 36 H SER 36 15.579 23.368 21.295 276 HA SER 36 HA SER 36 14.005 25.421 19.914 277 HB2 SER 36 HB2 SER 36 13.452 24.025 22.554 278 HB3 SER 36 HB3 SER 36 12.311 24.926 21.543 279 HG SER 36 HG SER 36 13.540 22.422 21.052 280 H ALA 37 H ALA 37 16.676 25.826 21.770 281 HA ALA 37 HA ALA 37 15.686 28.130 23.362 282 HB1 ALA 37 HB1 ALA 37 18.529 27.121 22.947 283 HB2 ALA 37 HB2 ALA 37 17.985 28.328 24.123 284 HB3 ALA 37 HB3 ALA 37 17.469 26.639 24.295 285 H HIS 38 H HIS 38 16.400 30.287 22.943 286 HA HIS 38 HA HIS 38 17.521 30.876 20.246 287 HB2 HIS 38 HB2 HIS 38 15.000 32.154 21.361 288 HB3 HIS 38 HB3 HIS 38 15.786 32.561 19.843 289 HD2 HIS 38 HD2 HIS 38 13.354 30.097 21.398 290 HE1 HIS 38 HE1 HIS 38 13.748 28.895 17.336 291 HE2 HIS 38 HE2 HIS 38 12.444 28.540 19.488 292 H GLY 39 H GLY 39 17.870 33.466 20.175 293 HA2 GLY 39 HA2 GLY 39 18.213 34.839 22.615 294 HA3 GLY 39 HA3 GLY 39 19.781 34.164 22.175 295 H TYR 40 H TYR 40 19.710 36.797 22.415 296 HA TYR 40 HA TYR 40 20.234 37.740 19.679 297 HB2 TYR 40 HB2 TYR 40 18.934 39.766 19.865 298 HB3 TYR 40 HB3 TYR 40 17.911 38.366 19.950 299 HD1 TYR 40 HD1 TYR 40 19.156 41.314 21.739 300 HD2 TYR 40 HD2 TYR 40 16.774 37.735 22.109 301 HE1 TYR 40 HE1 TYR 40 18.112 42.221 23.804 302 HE2 TYR 40 HE2 TYR 40 15.727 38.652 24.174 303 HH TYR 40 HH TYR 40 15.826 40.352 25.782 304 H CYS 41 H CYS 41 21.272 39.900 19.670 305 HA CYS 41 HA CYS 41 23.364 39.953 21.736 306 HB2 CYS 41 HB2 CYS 41 22.997 41.375 19.108 307 HB3 CYS 41 HB3 CYS 41 24.297 41.789 20.223 308 H TYR 42 H TYR 42 23.502 41.198 23.407 309 HA TYR 42 HA TYR 42 22.134 43.823 23.709 310 HB2 TYR 42 HB2 TYR 42 20.443 42.402 24.534 311 HB3 TYR 42 HB3 TYR 42 21.586 41.229 25.159 312 HD1 TYR 42 HD1 TYR 42 20.567 44.813 25.721 313 HD2 TYR 42 HD2 TYR 42 21.988 41.126 27.446 314 HE1 TYR 42 HE1 TYR 42 20.483 45.837 27.976 315 HE2 TYR 42 HE2 TYR 42 21.893 42.147 29.714 316 HH TYR 42 HH TYR 42 20.696 45.484 30.202 317 H ALA 43 H ALA 43 23.328 45.230 25.054 318 HA ALA 43 HA ALA 43 25.233 46.056 25.955 319 HB1 ALA 43 HB1 ALA 43 24.977 43.587 27.716 320 HB2 ALA 43 HB2 ALA 43 25.802 45.104 28.132 321 HB3 ALA 43 HB3 ALA 43 24.046 45.091 27.889 322 H PHE 44 H PHE 44 25.809 44.625 23.627 323 HA PHE 44 HA PHE 44 27.344 43.585 22.372 324 HB2 PHE 44 HB2 PHE 44 29.240 44.987 24.251 325 HB3 PHE 44 HB3 PHE 44 29.727 44.207 22.749 326 HD1 PHE 44 HD1 PHE 44 28.009 47.111 24.207 327 HD2 PHE 44 HD2 PHE 44 28.953 45.042 20.547 328 HE1 PHE 44 HE1 PHE 44 27.275 49.085 22.899 329 HE2 PHE 44 HE2 PHE 44 28.217 47.030 19.240 330 HZ PHE 44 HZ PHE 44 27.365 49.042 20.412 331 H ALA 45 H ALA 45 26.182 41.916 24.391 332 HA ALA 45 HA ALA 45 27.994 39.642 23.942 333 HB1 ALA 45 HB1 ALA 45 26.588 40.277 26.561 334 HB2 ALA 45 HB2 ALA 45 27.475 38.778 26.212 335 HB3 ALA 45 HB3 ALA 45 28.347 40.325 26.273 336 H CYS 46 H CYS 46 26.783 37.544 24.219 337 HA CYS 46 HA CYS 46 24.163 37.692 22.860 338 HB2 CYS 46 HB2 CYS 46 25.780 36.220 21.927 339 HB3 CYS 46 HB3 CYS 46 26.097 35.466 23.490 340 H TRP 47 H TRP 47 22.264 37.346 23.735 341 HA TRP 47 HA TRP 47 21.997 36.533 26.602 342 HB2 TRP 47 HB2 TRP 47 21.747 38.935 26.157 343 HB3 TRP 47 HB3 TRP 47 20.538 38.610 24.928 344 HD1 TRP 47 HD1 TRP 47 18.116 38.187 25.662 345 HE1 TRP 47 HE1 TRP 47 16.827 38.678 27.832 346 HE3 TRP 47 HE3 TRP 47 22.079 38.742 28.842 347 HZ2 TRP 47 HZ2 TRP 47 17.440 38.983 30.637 348 HZ3 TRP 47 HZ3 TRP 47 21.694 39.164 31.271 349 HH2 TRP 47 HH2 TRP 47 19.394 39.255 32.176 350 H CYS 48 H CYS 48 20.974 34.662 26.802 351 HA CYS 48 HA CYS 48 19.524 33.398 24.580 352 HB2 CYS 48 HB2 CYS 48 20.462 32.586 27.332 353 HB3 CYS 48 HB3 CYS 48 19.311 31.600 26.443 354 H THR 49 H THR 49 17.419 32.608 24.695 355 HA THR 49 HA THR 49 15.588 33.499 26.872 356 HB THR 49 HB THR 49 13.898 34.116 25.247 357 HG1 THR 49 HG1 THR 49 14.311 32.909 23.512 358 HG21 THR 49 HG21 THR 49 15.566 35.895 25.907 359 HG22 THR 49 HG22 THR 49 16.460 35.539 24.419 360 HG23 THR 49 HG23 THR 49 14.797 36.145 24.326 361 H HIS 50 H HIS 50 13.430 32.307 26.706 362 HA HIS 50 HA HIS 50 12.253 30.404 26.815 363 HB2 HIS 50 HB2 HIS 50 13.828 29.369 24.442 364 HB3 HIS 50 HB3 HIS 50 12.256 28.822 24.999 365 HD2 HIS 50 HD2 HIS 50 10.186 29.948 23.929 366 HE1 HIS 50 HE1 HIS 50 12.042 33.345 22.149 367 HE2 HIS 50 HE2 HIS 50 9.850 32.076 22.420 368 H LEU 51 H LEU 51 14.712 30.614 28.366 369 HA LEU 51 HA LEU 51 16.032 28.046 28.485 370 HB2 LEU 51 HB2 LEU 51 16.070 30.450 30.336 371 HB3 LEU 51 HB3 LEU 51 17.122 29.054 30.496 372 HG LEU 51 HG LEU 51 17.100 30.947 28.103 373 HD11 LEU 51 HD11 LEU 51 17.955 31.951 30.198 374 HD12 LEU 51 HD12 LEU 51 19.079 30.592 30.391 375 HD13 LEU 51 HD13 LEU 51 19.255 31.705 29.022 376 HD21 LEU 51 HD21 LEU 51 17.834 28.747 27.367 377 HD22 LEU 51 HD22 LEU 51 19.273 29.741 27.577 378 HD23 LEU 51 HD23 LEU 51 18.859 28.547 28.810 379 H TYR 52 H TYR 52 15.683 26.308 29.708 380 HA TYR 52 HA TYR 52 13.563 26.104 31.664 381 HB2 TYR 52 HB2 TYR 52 14.483 23.930 32.179 382 HB3 TYR 52 HB3 TYR 52 14.203 24.153 30.493 383 HD1 TYR 52 HD1 TYR 52 15.402 21.861 30.870 384 HD2 TYR 52 HD2 TYR 52 17.387 25.687 31.024 385 HE1 TYR 52 HE1 TYR 52 17.563 20.765 30.313 386 HE2 TYR 52 HE2 TYR 52 19.537 24.583 30.470 387 HH TYR 52 HH TYR 52 20.059 21.240 30.604 388 H GLU 53 H GLU 53 13.918 25.536 33.995 389 HA GLU 53 HA GLU 53 15.465 27.493 35.384 390 HB2 GLU 53 HB2 GLU 53 14.430 24.775 36.316 391 HB3 GLU 53 HB3 GLU 53 15.052 26.033 37.376 392 HG2 GLU 53 HG2 GLU 53 12.584 26.288 35.602 393 HG3 GLU 53 HG3 GLU 53 12.594 25.989 37.339 394 H GLN 54 H GLN 54 16.411 24.365 34.106 395 HA GLN 54 HA GLN 54 18.772 24.048 35.757 396 HB2 GLN 54 HB2 GLN 54 17.910 22.663 33.179 397 HB3 GLN 54 HB3 GLN 54 19.245 22.176 34.207 398 HG2 GLN 54 HG2 GLN 54 17.712 20.739 34.999 399 HG3 GLN 54 HG3 GLN 54 17.382 22.058 36.108 400 HE21 GLN 54 HE21 GLN 54 14.247 20.579 34.333 401 HE22 GLN 54 HE22 GLN 54 15.679 19.720 34.890 402 H ALA 55 H ALA 55 18.348 26.358 33.421 403 HA ALA 55 HA ALA 55 20.844 26.204 31.961 404 HB1 ALA 55 HB1 ALA 55 20.216 28.476 31.227 405 HB2 ALA 55 HB2 ALA 55 18.846 27.375 31.106 406 HB3 ALA 55 HB3 ALA 55 18.938 28.532 32.457 407 H VAL 56 H VAL 56 22.352 28.192 32.002 408 HA VAL 56 HA VAL 56 23.062 28.998 34.798 409 HB VAL 56 HB VAL 56 24.926 28.582 32.433 410 HG11 VAL 56 HG11 VAL 56 25.511 29.465 35.289 411 HG12 VAL 56 HG12 VAL 56 26.730 29.047 34.072 412 HG13 VAL 56 HG13 VAL 56 25.701 30.460 33.825 413 HG21 VAL 56 HG21 VAL 56 24.255 26.437 33.429 414 HG22 VAL 56 HG22 VAL 56 25.927 26.808 33.846 415 HG23 VAL 56 HG23 VAL 56 24.648 27.048 35.054 416 H VAL 57 H VAL 57 22.577 31.112 35.126 417 HA VAL 57 HA VAL 57 22.560 32.978 32.765 418 HB VAL 57 HB VAL 57 20.524 34.008 33.590 419 HG11 VAL 57 HG11 VAL 57 20.453 32.199 31.873 420 HG12 VAL 57 HG12 VAL 57 20.120 31.028 33.166 421 HG13 VAL 57 HG13 VAL 57 18.961 32.322 32.840 422 HG21 VAL 57 HG21 VAL 57 20.361 31.734 35.598 423 HG22 VAL 57 HG22 VAL 57 20.589 33.456 35.977 424 HG23 VAL 57 HG23 VAL 57 19.080 32.900 35.240 425 H TRP 58 H TRP 58 23.127 32.682 36.259 426 HA TRP 58 HA TRP 58 24.011 35.437 36.497 427 HB2 TRP 58 HB2 TRP 58 24.836 33.167 38.287 428 HB3 TRP 58 HB3 TRP 58 24.652 34.871 38.694 429 HD1 TRP 58 HD1 TRP 58 23.067 31.801 39.350 430 HE1 TRP 58 HE1 TRP 58 20.522 31.908 39.740 431 HE3 TRP 58 HE3 TRP 58 22.180 36.448 37.398 432 HZ2 TRP 58 HZ2 TRP 58 18.392 33.692 39.072 433 HZ3 TRP 58 HZ3 TRP 58 19.851 37.279 37.189 434 HH2 TRP 58 HH2 TRP 58 17.950 35.925 38.029 435 HA PRO 59 HA PRO 59 28.236 35.026 35.027 436 HB2 PRO 59 HB2 PRO 59 29.264 36.183 37.589 437 HB3 PRO 59 HB3 PRO 59 29.550 36.708 35.900 438 HG2 PRO 59 HG2 PRO 59 27.867 38.103 37.543 439 HG3 PRO 59 HG3 PRO 59 27.459 37.833 35.811 440 HD2 PRO 59 HD2 PRO 59 26.516 36.265 38.223 441 HD3 PRO 59 HD3 PRO 59 25.544 36.934 36.883 442 H LEU 60 H LEU 60 30.203 33.677 35.316 443 HA LEU 60 HA LEU 60 29.467 31.272 36.708 444 HB2 LEU 60 HB2 LEU 60 30.777 31.519 34.478 445 HB3 LEU 60 HB3 LEU 60 32.194 31.783 35.510 446 HG LEU 60 HG LEU 60 31.593 29.554 36.655 447 HD11 LEU 60 HD11 LEU 60 30.347 27.945 35.249 448 HD12 LEU 60 HD12 LEU 60 29.294 29.277 35.739 449 HD13 LEU 60 HD13 LEU 60 29.962 29.231 34.094 450 HD21 LEU 60 HD21 LEU 60 33.495 29.822 35.100 451 HD22 LEU 60 HD22 LEU 60 32.715 28.237 34.898 452 HD23 LEU 60 HD23 LEU 60 32.398 29.527 33.728 453 HA PRO 61 HA PRO 61 31.781 32.460 40.475 454 HB2 PRO 61 HB2 PRO 61 30.882 30.572 42.192 455 HB3 PRO 61 HB3 PRO 61 29.823 31.894 41.615 456 HG2 PRO 61 HG2 PRO 61 30.018 29.080 40.540 457 HG3 PRO 61 HG3 PRO 61 28.531 29.969 40.999 458 HD2 PRO 61 HD2 PRO 61 29.432 29.822 38.421 459 HD3 PRO 61 HD3 PRO 61 28.595 31.266 39.068 460 H ASN 62 H ASN 62 31.893 29.454 38.696 461 HA ASN 62 HA ASN 62 33.686 27.978 40.244 462 HB2 ASN 62 HB2 ASN 62 33.378 27.842 37.217 463 HB3 ASN 62 HB3 ASN 62 34.037 26.615 38.276 464 HD21 ASN 62 HD21 ASN 62 30.819 25.248 37.673 465 HD22 ASN 62 HD22 ASN 62 32.489 25.308 37.091 466 H LYS 63 H LYS 63 34.568 29.923 37.301 467 HA LYS 63 HA LYS 63 37.251 30.453 38.404 468 HB2 LYS 63 HB2 LYS 63 36.848 28.964 35.773 469 HB3 LYS 63 HB3 LYS 63 38.366 29.682 36.328 470 HG2 LYS 63 HG2 LYS 63 38.146 28.227 38.428 471 HG3 LYS 63 HG3 LYS 63 36.877 27.338 37.564 472 HD2 LYS 63 HD2 LYS 63 39.762 27.707 36.691 473 HD3 LYS 63 HD3 LYS 63 39.064 26.265 37.446 474 HE2 LYS 63 HE2 LYS 63 37.523 26.006 35.476 475 HE3 LYS 63 HE3 LYS 63 38.288 27.412 34.727 476 HZ1 LYS 63 HZ1 LYS 63 39.319 25.482 33.861 477 HZ2 LYS 63 HZ2 LYS 63 40.429 26.144 34.888 478 HZ3 LYS 63 HZ3 LYS 63 39.602 24.817 35.336 479 H ARG 64 H ARG 64 38.282 32.182 37.595 480 HA ARG 64 HA ARG 64 36.769 34.273 36.199 481 HB2 ARG 64 HB2 ARG 64 39.648 33.961 37.118 482 HB3 ARG 64 HB3 ARG 64 39.159 35.309 36.108 483 HG2 ARG 64 HG2 ARG 64 39.208 36.102 38.304 484 HG3 ARG 64 HG3 ARG 64 37.526 36.038 37.822 485 HD2 ARG 64 HD2 ARG 64 38.763 33.766 39.398 486 HD3 ARG 64 HD3 ARG 64 38.329 35.279 40.203 487 HE ARG 64 HE ARG 64 36.058 34.439 38.702 488 HH11 ARG 64 HH11 ARG 64 37.839 33.455 41.578 489 HH12 ARG 64 HH12 ARG 64 36.360 32.993 42.406 490 HH21 ARG 64 HH21 ARG 64 34.337 33.711 39.708 491 HH22 ARG 64 HH22 ARG 64 34.441 32.910 41.279 492 H CYS 65 H CYS 65 37.303 35.220 34.185 493 HA CYS 65 HA CYS 65 37.883 33.330 32.088 494 HB2 CYS 65 HB2 CYS 65 36.322 35.207 31.829 495 HB3 CYS 65 HB3 CYS 65 37.654 36.352 32.016 496 H LYS 66 H LYS 66 39.554 33.364 30.552 497 HA LYS 66 HA LYS 66 42.279 33.775 31.587 498 HB2 LYS 66 HB2 LYS 66 41.222 32.645 28.964 499 HB3 LYS 66 HB3 LYS 66 42.916 32.643 29.470 500 HG2 LYS 66 HG2 LYS 66 42.364 31.202 31.400 501 HG3 LYS 66 HG3 LYS 66 40.649 31.212 30.935 502 HD2 LYS 66 HD2 LYS 66 41.229 30.198 28.750 503 HD3 LYS 66 HD3 LYS 66 42.935 30.143 29.232 504 HE2 LYS 66 HE2 LYS 66 42.323 28.681 31.163 505 HE3 LYS 66 HE3 LYS 66 40.631 28.738 30.656 506 HZ1 LYS 66 HZ1 LYS 66 42.843 27.575 29.032 507 HZ2 LYS 66 HZ2 LYS 66 41.679 26.745 29.858 508 HZ3 LYS 66 HZ3 LYS 66 41.273 27.695 28.574 509 HN1 NH2 67 HN1 NH2 67 41.957 36.201 31.711 510 HN2 NH2 67 HN2 NH2 67 42.264 37.133 30.255 Start of MODEL 20 1 H1 LYS 1 H1 LYS 1 12.363 31.754 30.025 2 H2 LYS 1 H2 LYS 1 11.964 30.996 31.408 3 H3 LYS 1 H3 LYS 1 13.142 30.363 30.441 4 HA LYS 1 HA LYS 1 13.210 32.858 32.006 5 HB2 LYS 1 HB2 LYS 1 13.702 30.560 33.113 6 HB3 LYS 1 HB3 LYS 1 15.205 30.566 32.178 7 HG2 LYS 1 HG2 LYS 1 15.804 32.758 33.258 8 HG3 LYS 1 HG3 LYS 1 14.287 32.687 34.175 9 HD2 LYS 1 HD2 LYS 1 15.069 30.627 35.306 10 HD3 LYS 1 HD3 LYS 1 16.589 30.709 34.388 11 HE2 LYS 1 HE2 LYS 1 16.990 33.006 35.339 12 HE3 LYS 1 HE3 LYS 1 15.521 32.825 36.314 13 HZ1 LYS 1 HZ1 LYS 1 17.465 32.213 37.602 14 HZ2 LYS 1 HZ2 LYS 1 16.546 30.898 37.376 15 HZ3 LYS 1 HZ3 LYS 1 17.934 31.101 36.478 16 H GLU 2 H GLU 2 14.992 34.257 31.748 17 HA GLU 2 HA GLU 2 16.527 33.978 29.186 18 HB2 GLU 2 HB2 GLU 2 15.801 36.566 30.589 19 HB3 GLU 2 HB3 GLU 2 16.547 36.340 29.003 20 HG2 GLU 2 HG2 GLU 2 14.431 35.293 28.188 21 HG3 GLU 2 HG3 GLU 2 13.708 35.568 29.774 22 H GLY 3 H GLY 3 18.753 34.612 29.174 23 HA2 GLY 3 HA2 GLY 3 20.131 35.365 31.617 24 HA3 GLY 3 HA3 GLY 3 20.282 33.643 31.272 25 H TYR 4 H TYR 4 22.555 34.915 31.437 26 HA TYR 4 HA TYR 4 23.419 36.091 28.844 27 HB2 TYR 4 HB2 TYR 4 23.844 37.145 31.116 28 HB3 TYR 4 HB3 TYR 4 24.917 35.802 31.465 29 HD1 TYR 4 HD1 TYR 4 24.428 38.889 29.507 30 HD2 TYR 4 HD2 TYR 4 27.138 35.643 30.365 31 HE1 TYR 4 HE1 TYR 4 26.326 40.267 28.701 32 HE2 TYR 4 HE2 TYR 4 29.043 37.040 29.561 33 HH TYR 4 HH TYR 4 28.607 40.463 28.595 34 H LEU 5 H LEU 5 24.811 35.039 27.416 35 HA LEU 5 HA LEU 5 25.304 32.219 27.944 36 HB2 LEU 5 HB2 LEU 5 24.469 33.310 25.780 37 HB3 LEU 5 HB3 LEU 5 26.126 33.771 25.472 38 HG LEU 5 HG LEU 5 25.275 31.705 24.295 39 HD11 LEU 5 HD11 LEU 5 27.664 32.042 24.526 40 HD12 LEU 5 HD12 LEU 5 27.666 31.135 26.062 41 HD13 LEU 5 HD13 LEU 5 27.230 30.336 24.536 42 HD21 LEU 5 HD21 LEU 5 24.889 29.673 25.366 43 HD22 LEU 5 HD22 LEU 5 25.596 30.210 26.906 44 HD23 LEU 5 HD23 LEU 5 24.031 30.838 26.372 45 H VAL 6 H VAL 6 26.913 31.578 29.101 46 HA VAL 6 HA VAL 6 29.663 32.646 28.693 47 HB VAL 6 HB VAL 6 28.542 33.406 30.870 48 HG11 VAL 6 HG11 VAL 6 28.525 31.857 32.742 49 HG12 VAL 6 HG12 VAL 6 27.488 31.218 31.460 50 HG13 VAL 6 HG13 VAL 6 29.103 30.523 31.724 51 HG21 VAL 6 HG21 VAL 6 31.146 31.853 31.123 52 HG22 VAL 6 HG22 VAL 6 30.970 33.515 30.506 53 HG23 VAL 6 HG23 VAL 6 30.564 33.141 32.183 54 H ASP 7 H ASP 7 31.369 31.046 29.136 55 HA ASP 7 HA ASP 7 30.639 28.571 27.886 56 HB2 ASP 7 HB2 ASP 7 32.892 29.983 27.870 57 HB3 ASP 7 HB3 ASP 7 33.304 28.970 29.251 58 H TYR 8 H TYR 8 30.844 26.401 28.615 59 HA TYR 8 HA TYR 8 29.953 25.951 31.322 60 HB2 TYR 8 HB2 TYR 8 30.214 23.526 30.714 61 HB3 TYR 8 HB3 TYR 8 29.135 24.478 29.720 62 HD1 TYR 8 HD1 TYR 8 32.564 22.960 29.793 63 HD2 TYR 8 HD2 TYR 8 29.356 24.524 27.379 64 HE1 TYR 8 HE1 TYR 8 33.728 22.179 27.733 65 HE2 TYR 8 HE2 TYR 8 30.505 23.708 25.323 66 HH TYR 8 HH TYR 8 32.474 22.867 24.465 67 H HIS 9 H HIS 9 33.146 25.971 29.872 68 HA HIS 9 HA HIS 9 34.389 24.635 32.198 69 HB2 HIS 9 HB2 HIS 9 34.825 24.133 29.726 70 HB3 HIS 9 HB3 HIS 9 35.707 25.653 29.671 71 HD2 HIS 9 HD2 HIS 9 35.831 22.114 31.219 72 HE1 HIS 9 HE1 HIS 9 39.763 23.737 31.506 73 HE2 HIS 9 HE2 HIS 9 38.375 21.639 31.813 74 H THR 10 H THR 10 33.907 27.943 31.200 75 HA THR 10 HA THR 10 35.739 29.007 33.244 76 HB THR 10 HB THR 10 37.286 28.490 31.455 77 HG1 THR 10 HG1 THR 10 38.152 30.431 31.160 78 HG21 THR 10 HG21 THR 10 35.875 28.443 29.474 79 HG22 THR 10 HG22 THR 10 35.517 30.177 29.634 80 HG23 THR 10 HG23 THR 10 37.161 29.625 29.244 81 H GLY 11 H GLY 11 35.576 31.411 33.443 82 HA2 GLY 11 HA2 GLY 11 32.853 32.335 33.116 83 HA3 GLY 11 HA3 GLY 11 34.210 33.232 33.776 84 H CYS 12 H CYS 12 34.845 32.104 30.598 85 HA CYS 12 HA CYS 12 35.070 34.730 29.502 86 HB2 CYS 12 HB2 CYS 12 35.024 31.993 28.206 87 HB3 CYS 12 HB3 CYS 12 35.498 33.470 27.381 88 H LYS 13 H LYS 13 33.513 36.030 28.930 89 HA LYS 13 HA LYS 13 30.808 35.379 28.210 90 HB2 LYS 13 HB2 LYS 13 30.650 37.760 27.634 91 HB3 LYS 13 HB3 LYS 13 31.491 37.534 29.169 92 HG2 LYS 13 HG2 LYS 13 33.685 37.703 27.766 93 HG3 LYS 13 HG3 LYS 13 32.673 38.336 26.474 94 HD2 LYS 13 HD2 LYS 13 32.766 39.513 29.287 95 HD3 LYS 13 HD3 LYS 13 33.873 39.992 28.001 96 HE2 LYS 13 HE2 LYS 13 32.060 40.832 26.627 97 HE3 LYS 13 HE3 LYS 13 30.848 40.267 27.789 98 HZ1 LYS 13 HZ1 LYS 13 31.644 41.834 29.384 99 HZ2 LYS 13 HZ2 LYS 13 32.972 42.202 28.515 100 HZ3 LYS 13 HZ3 LYS 13 31.516 42.704 27.986 101 H TYR 14 H TYR 14 29.740 35.441 26.212 102 HA TYR 14 HA TYR 14 31.451 35.122 23.769 103 HB2 TYR 14 HB2 TYR 14 28.684 34.147 24.456 104 HB3 TYR 14 HB3 TYR 14 29.290 34.208 22.806 105 HD1 TYR 14 HD1 TYR 14 31.027 32.733 21.993 106 HD2 TYR 14 HD2 TYR 14 29.778 32.593 26.120 107 HE1 TYR 14 HE1 TYR 14 32.212 30.567 22.285 108 HE2 TYR 14 HE2 TYR 14 30.908 30.393 26.377 109 HH TYR 14 HH TYR 14 32.085 28.678 25.321 110 H THR 15 H THR 15 31.780 37.023 22.835 111 HA THR 15 HA THR 15 29.947 39.243 23.119 112 HB THR 15 HB THR 15 31.575 40.544 21.895 113 HG1 THR 15 HG1 THR 15 33.127 39.746 20.831 114 HG21 THR 15 HG21 THR 15 32.982 38.732 23.899 115 HG22 THR 15 HG22 THR 15 33.474 40.361 23.399 116 HG23 THR 15 HG23 THR 15 31.972 40.140 24.309 117 H CYS 16 H CYS 16 29.239 40.597 21.401 118 HA CYS 16 HA CYS 16 28.448 39.194 18.884 119 HB2 CYS 16 HB2 CYS 16 26.978 41.338 20.449 120 HB3 CYS 16 HB3 CYS 16 26.557 40.795 18.835 121 H ALA 17 H ALA 17 28.791 40.220 16.991 122 HA ALA 17 HA ALA 17 30.746 42.379 16.844 123 HB1 ALA 17 HB1 ALA 17 29.071 40.913 14.752 124 HB2 ALA 17 HB2 ALA 17 30.433 42.000 14.408 125 HB3 ALA 17 HB3 ALA 17 30.715 40.477 15.278 126 H LYS 18 H LYS 18 27.222 42.105 16.715 127 HA LYS 18 HA LYS 18 26.990 45.055 16.739 128 HB2 LYS 18 HB2 LYS 18 26.764 43.834 14.317 129 HB3 LYS 18 HB3 LYS 18 25.140 43.533 14.901 130 HG2 LYS 18 HG2 LYS 18 25.062 45.547 13.638 131 HG3 LYS 18 HG3 LYS 18 24.941 46.056 15.321 132 HD2 LYS 18 HD2 LYS 18 27.404 46.598 15.287 133 HD3 LYS 18 HD3 LYS 18 27.479 46.012 13.620 134 HE2 LYS 18 HE2 LYS 18 25.846 47.796 12.968 135 HE3 LYS 18 HE3 LYS 18 25.890 48.415 14.630 136 HZ1 LYS 18 HZ1 LYS 18 28.258 48.159 12.862 137 HZ2 LYS 18 HZ2 LYS 18 27.455 49.574 13.119 138 HZ3 LYS 18 HZ3 LYS 18 28.273 48.817 14.348 139 H LEU 19 H LEU 19 25.139 45.870 17.683 140 HA LEU 19 HA LEU 19 23.569 44.102 19.426 141 HB2 LEU 19 HB2 LEU 19 23.211 47.044 18.736 142 HB3 LEU 19 HB3 LEU 19 22.360 46.179 20.011 143 HG LEU 19 HG LEU 19 25.364 46.702 19.935 144 HD11 LEU 19 HD11 LEU 19 24.009 48.723 20.339 145 HD12 LEU 19 HD12 LEU 19 23.175 47.898 21.680 146 HD13 LEU 19 HD13 LEU 19 24.916 48.245 21.779 147 HD21 LEU 19 HD21 LEU 19 24.931 44.632 21.161 148 HD22 LEU 19 HD22 LEU 19 25.326 45.941 22.287 149 HD23 LEU 19 HD23 LEU 19 23.635 45.428 22.095 150 H GLY 20 H GLY 20 21.213 44.018 19.347 151 HA2 GLY 20 HA2 GLY 20 19.177 43.746 18.315 152 HA3 GLY 20 HA3 GLY 20 19.800 44.579 16.901 153 H ASP 21 H ASP 21 22.030 42.290 16.849 154 HA ASP 21 HA ASP 21 20.773 40.522 14.990 155 HB2 ASP 21 HB2 ASP 21 23.214 40.134 16.767 156 HB3 ASP 21 HB3 ASP 21 22.649 38.953 15.588 157 H ASN 22 H ASN 22 19.406 38.849 15.254 158 HA ASN 22 HA ASN 22 18.916 37.714 17.972 159 HB2 ASN 22 HB2 ASN 22 17.343 37.401 15.382 160 HB3 ASN 22 HB3 ASN 22 16.960 36.632 16.918 161 HD21 ASN 22 HD21 ASN 22 15.758 40.410 16.309 162 HD22 ASN 22 HD22 ASN 22 16.592 39.517 15.036 163 H ASP 23 H ASP 23 19.135 36.424 14.649 164 HA ASP 23 HA ASP 23 19.509 33.801 15.578 165 HB2 ASP 23 HB2 ASP 23 19.676 33.109 13.332 166 HB3 ASP 23 HB3 ASP 23 18.459 34.367 13.459 167 H TYR 24 H TYR 24 21.981 36.178 15.013 168 HA TYR 24 HA TYR 24 24.317 34.534 14.871 169 HB2 TYR 24 HB2 TYR 24 24.358 36.975 14.559 170 HB3 TYR 24 HB3 TYR 24 23.796 37.214 16.208 171 HD1 TYR 24 HD1 TYR 24 25.288 36.685 18.177 172 HD2 TYR 24 HD2 TYR 24 26.720 36.810 14.109 173 HE1 TYR 24 HE1 TYR 24 27.610 36.874 19.010 174 HE2 TYR 24 HE2 TYR 24 29.055 37.065 14.960 175 HH TYR 24 HH TYR 24 29.781 37.221 18.468 176 H CYS 25 H CYS 25 22.390 35.666 17.659 177 HA CYS 25 HA CYS 25 24.120 34.298 19.614 178 HB2 CYS 25 HB2 CYS 25 23.310 36.469 20.194 179 HB3 CYS 25 HB3 CYS 25 21.649 36.026 19.806 180 H VAL 26 H VAL 26 20.800 33.878 18.227 181 HA VAL 26 HA VAL 26 20.066 31.576 19.704 182 HB VAL 26 HB VAL 26 19.522 32.071 16.758 183 HG11 VAL 26 HG11 VAL 26 18.959 29.792 17.195 184 HG12 VAL 26 HG12 VAL 26 18.210 30.194 18.754 185 HG13 VAL 26 HG13 VAL 26 17.448 30.688 17.229 186 HG21 VAL 26 HG21 VAL 26 17.716 32.687 19.127 187 HG22 VAL 26 HG22 VAL 26 18.678 33.916 18.302 188 HG23 VAL 26 HG23 VAL 26 17.412 33.056 17.425 189 H ARG 27 H ARG 27 22.203 31.767 16.820 190 HA ARG 27 HA ARG 27 22.760 29.011 16.495 191 HB2 ARG 27 HB2 ARG 27 23.553 31.196 15.158 192 HB3 ARG 27 HB3 ARG 27 24.974 31.044 16.185 193 HG2 ARG 27 HG2 ARG 27 25.040 28.564 15.380 194 HG3 ARG 27 HG3 ARG 27 23.836 29.058 14.185 195 HD2 ARG 27 HD2 ARG 27 26.693 30.029 14.493 196 HD3 ARG 27 HD3 ARG 27 26.027 29.119 13.147 197 HE ARG 27 HE ARG 27 26.002 31.986 13.549 198 HH11 ARG 27 HH11 ARG 27 24.211 29.500 11.794 199 HH12 ARG 27 HH12 ARG 27 23.524 30.718 10.728 200 HH21 ARG 27 HH21 ARG 27 25.235 33.323 12.207 201 HH22 ARG 27 HH22 ARG 27 24.173 32.856 10.885 202 H GLU 28 H GLU 28 24.275 31.324 18.765 203 HA GLU 28 HA GLU 28 26.157 29.340 19.780 204 HB2 GLU 28 HB2 GLU 28 25.191 31.901 21.103 205 HB3 GLU 28 HB3 GLU 28 26.568 30.944 21.604 206 HG2 GLU 28 HG2 GLU 28 26.294 32.606 19.094 207 HG3 GLU 28 HG3 GLU 28 27.391 32.863 20.443 208 H CYS 29 H CYS 29 23.031 30.655 21.013 209 HA CYS 29 HA CYS 29 22.991 29.219 23.437 210 HB2 CYS 29 HB2 CYS 29 20.598 29.982 21.727 211 HB3 CYS 29 HB3 CYS 29 20.591 29.664 23.456 212 H ARG 30 H ARG 30 21.613 28.269 20.255 213 HA ARG 30 HA ARG 30 20.584 25.737 21.190 214 HB2 ARG 30 HB2 ARG 30 19.657 25.551 19.058 215 HB3 ARG 30 HB3 ARG 30 19.794 27.292 19.262 216 HG2 ARG 30 HG2 ARG 30 22.113 26.959 18.080 217 HG3 ARG 30 HG3 ARG 30 21.420 25.422 17.552 218 HD2 ARG 30 HD2 ARG 30 20.417 28.224 16.956 219 HD3 ARG 30 HD3 ARG 30 21.205 27.126 15.846 220 HE ARG 30 HE ARG 30 18.491 26.610 17.046 221 HH11 ARG 30 HH11 ARG 30 20.472 26.804 14.078 222 HH12 ARG 30 HH12 ARG 30 19.037 26.530 13.106 223 HH21 ARG 30 HH21 ARG 30 16.827 26.001 15.586 224 HH22 ARG 30 HH22 ARG 30 17.218 26.026 13.883 225 H LEU 31 H LEU 31 23.743 26.532 20.706 226 HA LEU 31 HA LEU 31 24.546 23.680 20.214 227 HB2 LEU 31 HB2 LEU 31 26.078 26.263 19.718 228 HB3 LEU 31 HB3 LEU 31 26.755 24.646 19.547 229 HG LEU 31 HG LEU 31 24.429 25.711 17.883 230 HD11 LEU 31 HD11 LEU 31 26.060 25.885 16.067 231 HD12 LEU 31 HD12 LEU 31 26.575 26.883 17.427 232 HD13 LEU 31 HD13 LEU 31 27.366 25.322 17.146 233 HD21 LEU 31 HD21 LEU 31 24.870 23.777 16.441 234 HD22 LEU 31 HD22 LEU 31 26.112 23.192 17.584 235 HD23 LEU 31 HD23 LEU 31 24.406 23.263 18.060 236 H ARG 32 H ARG 32 25.030 26.494 22.343 237 HA ARG 32 HA ARG 32 26.892 25.161 24.149 238 HB2 ARG 32 HB2 ARG 32 26.466 27.723 23.730 239 HB3 ARG 32 HB3 ARG 32 25.109 27.518 24.813 240 HG2 ARG 32 HG2 ARG 32 27.029 28.405 26.013 241 HG3 ARG 32 HG3 ARG 32 26.633 26.810 26.632 242 HD2 ARG 32 HD2 ARG 32 29.093 27.277 26.366 243 HD3 ARG 32 HD3 ARG 32 28.517 25.819 25.545 244 HE ARG 32 HE ARG 32 28.442 27.987 23.678 245 HH11 ARG 32 HH11 ARG 32 31.137 26.354 25.292 246 HH12 ARG 32 HH12 ARG 32 31.835 25.936 23.751 247 HH21 ARG 32 HH21 ARG 32 29.570 27.650 21.887 248 HH22 ARG 32 HH22 ARG 32 31.128 26.816 21.944 249 H TYR 33 H TYR 33 23.418 25.627 24.017 250 HA TYR 33 HA TYR 33 22.958 23.688 26.240 251 HB2 TYR 33 HB2 TYR 33 21.137 25.941 25.328 252 HB3 TYR 33 HB3 TYR 33 20.912 24.920 26.732 253 HD1 TYR 33 HD1 TYR 33 23.748 25.080 27.911 254 HD2 TYR 33 HD2 TYR 33 21.041 28.052 26.359 255 HE1 TYR 33 HE1 TYR 33 24.917 26.826 29.240 256 HE2 TYR 33 HE2 TYR 33 22.202 29.802 27.724 257 HH TYR 33 HH TYR 33 25.081 29.041 29.716 258 H TYR 34 H TYR 34 20.473 22.960 25.857 259 HA TYR 34 HA TYR 34 20.195 21.318 23.640 260 HB2 TYR 34 HB2 TYR 34 17.910 21.106 24.248 261 HB3 TYR 34 HB3 TYR 34 18.891 21.196 25.675 262 HD1 TYR 34 HD1 TYR 34 18.862 24.560 25.264 263 HD2 TYR 34 HD2 TYR 34 16.037 21.341 25.836 264 HE1 TYR 34 HE1 TYR 34 17.340 26.105 26.421 265 HE2 TYR 34 HE2 TYR 34 14.488 22.927 26.964 266 HH TYR 34 HH TYR 34 14.181 25.048 27.745 267 H GLN 35 H GLN 35 19.029 21.329 21.686 268 HA GLN 35 HA GLN 35 19.455 23.663 20.148 269 HB2 GLN 35 HB2 GLN 35 18.601 22.513 18.297 270 HB3 GLN 35 HB3 GLN 35 19.478 21.341 19.277 271 HG2 GLN 35 HG2 GLN 35 17.370 20.358 20.057 272 HG3 GLN 35 HG3 GLN 35 16.436 21.641 19.296 273 HE21 GLN 35 HE21 GLN 35 16.169 18.822 16.986 274 HE22 GLN 35 HE22 GLN 35 15.461 19.361 18.515 275 H SER 36 H SER 36 16.685 22.837 22.038 276 HA SER 36 HA SER 36 14.768 24.564 20.743 277 HB2 SER 36 HB2 SER 36 14.817 23.494 23.592 278 HB3 SER 36 HB3 SER 36 13.420 24.174 22.735 279 HG SER 36 HG SER 36 14.855 21.773 22.178 280 H ALA 37 H ALA 37 17.584 25.513 22.391 281 HA ALA 37 HA ALA 37 16.514 27.746 23.879 282 HB1 ALA 37 HB1 ALA 37 18.856 28.439 24.015 283 HB2 ALA 37 HB2 ALA 37 18.707 26.705 24.332 284 HB3 ALA 37 HB3 ALA 37 19.299 27.262 22.754 285 H HIS 38 H HIS 38 16.647 29.998 23.448 286 HA HIS 38 HA HIS 38 17.032 30.885 20.634 287 HB2 HIS 38 HB2 HIS 38 14.571 30.521 21.343 288 HB3 HIS 38 HB3 HIS 38 14.790 31.929 22.377 289 HD2 HIS 38 HD2 HIS 38 14.490 30.845 18.709 290 HE1 HIS 38 HE1 HIS 38 14.526 35.102 18.663 291 HE2 HIS 38 HE2 HIS 38 14.172 33.020 17.251 292 H GLY 39 H GLY 39 16.836 33.619 20.901 293 HA2 GLY 39 HA2 GLY 39 17.859 34.919 23.080 294 HA3 GLY 39 HA3 GLY 39 19.305 34.223 22.354 295 H TYR 40 H TYR 40 19.603 36.687 22.547 296 HA TYR 40 HA TYR 40 19.954 37.592 19.847 297 HB2 TYR 40 HB2 TYR 40 18.812 39.742 19.985 298 HB3 TYR 40 HB3 TYR 40 17.689 38.427 20.092 299 HD1 TYR 40 HD1 TYR 40 19.109 41.321 21.812 300 HD2 TYR 40 HD2 TYR 40 16.518 37.893 22.239 301 HE1 TYR 40 HE1 TYR 40 18.090 42.335 23.842 302 HE2 TYR 40 HE2 TYR 40 15.487 38.925 24.248 303 HH TYR 40 HH TYR 40 15.447 40.716 25.647 304 H CYS 41 H CYS 41 21.082 39.787 19.817 305 HA CYS 41 HA CYS 41 23.196 39.766 21.854 306 HB2 CYS 41 HB2 CYS 41 22.788 41.177 19.216 307 HB3 CYS 41 HB3 CYS 41 24.178 41.499 20.259 308 H TYR 42 H TYR 42 23.318 40.991 23.560 309 HA TYR 42 HA TYR 42 22.275 43.765 23.725 310 HB2 TYR 42 HB2 TYR 42 20.397 42.767 24.654 311 HB3 TYR 42 HB3 TYR 42 21.277 41.371 25.240 312 HD1 TYR 42 HD1 TYR 42 21.767 41.145 27.514 313 HD2 TYR 42 HD2 TYR 42 20.862 45.051 25.931 314 HE1 TYR 42 HE1 TYR 42 21.870 42.101 29.803 315 HE2 TYR 42 HE2 TYR 42 21.055 46.017 28.211 316 HH TYR 42 HH TYR 42 22.076 45.518 30.367 317 H ALA 43 H ALA 43 23.553 45.053 25.199 318 HA ALA 43 HA ALA 43 25.559 45.648 26.126 319 HB1 ALA 43 HB1 ALA 43 25.239 43.001 27.593 320 HB2 ALA 43 HB2 ALA 43 26.259 44.355 28.090 321 HB3 ALA 43 HB3 ALA 43 24.498 44.554 28.040 322 H PHE 44 H PHE 44 25.826 44.543 23.596 323 HA PHE 44 HA PHE 44 27.082 43.435 22.077 324 HB2 PHE 44 HB2 PHE 44 29.252 44.614 23.822 325 HB3 PHE 44 HB3 PHE 44 29.584 43.817 22.291 326 HD1 PHE 44 HD1 PHE 44 28.565 44.647 20.149 327 HD2 PHE 44 HD2 PHE 44 28.464 46.915 23.817 328 HE1 PHE 44 HE1 PHE 44 28.129 46.725 18.858 329 HE2 PHE 44 HE2 PHE 44 28.036 48.984 22.513 330 HZ PHE 44 HZ PHE 44 27.865 48.893 20.038 331 H ALA 45 H ALA 45 26.065 41.651 24.119 332 HA ALA 45 HA ALA 45 27.824 39.354 23.526 333 HB1 ALA 45 HB1 ALA 45 28.547 40.165 25.735 334 HB2 ALA 45 HB2 ALA 45 26.865 40.143 26.307 335 HB3 ALA 45 HB3 ALA 45 27.690 38.623 25.897 336 H CYS 46 H CYS 46 26.773 37.276 23.921 337 HA CYS 46 HA CYS 46 24.078 37.351 22.823 338 HB2 CYS 46 HB2 CYS 46 25.678 35.799 22.004 339 HB3 CYS 46 HB3 CYS 46 25.959 35.125 23.600 340 H TRP 47 H TRP 47 22.309 37.635 23.914 341 HA TRP 47 HA TRP 47 21.941 36.721 26.729 342 HB2 TRP 47 HB2 TRP 47 21.563 39.119 26.190 343 HB3 TRP 47 HB3 TRP 47 20.366 38.672 24.991 344 HD1 TRP 47 HD1 TRP 47 17.964 38.211 25.811 345 HE1 TRP 47 HE1 TRP 47 16.747 38.277 28.088 346 HE3 TRP 47 HE3 TRP 47 22.042 38.678 28.853 347 HZ2 TRP 47 HZ2 TRP 47 17.499 38.500 30.874 348 HZ3 TRP 47 HZ3 TRP 47 21.770 38.803 31.328 349 HH2 TRP 47 HH2 TRP 47 19.502 38.706 32.343 350 H CYS 48 H CYS 48 21.135 34.676 26.758 351 HA CYS 48 HA CYS 48 19.541 33.670 24.481 352 HB2 CYS 48 HB2 CYS 48 20.647 32.268 26.905 353 HB3 CYS 48 HB3 CYS 48 19.718 31.492 25.611 354 H THR 49 H THR 49 17.474 32.836 24.678 355 HA THR 49 HA THR 49 15.853 33.587 27.060 356 HB THR 49 HB THR 49 14.173 34.640 25.690 357 HG1 THR 49 HG1 THR 49 14.299 33.739 23.751 358 HG21 THR 49 HG21 THR 49 16.071 36.070 26.515 359 HG22 THR 49 HG22 THR 49 16.821 35.910 24.917 360 HG23 THR 49 HG23 THR 49 15.233 36.686 25.079 361 H HIS 50 H HIS 50 13.543 32.756 26.792 362 HA HIS 50 HA HIS 50 12.126 31.006 26.751 363 HB2 HIS 50 HB2 HIS 50 13.479 30.282 24.127 364 HB3 HIS 50 HB3 HIS 50 11.906 29.751 24.676 365 HD2 HIS 50 HD2 HIS 50 10.060 30.943 23.421 366 HE1 HIS 50 HE1 HIS 50 11.777 34.813 22.931 367 HE2 HIS 50 HE2 HIS 50 9.736 33.374 22.449 368 H LEU 51 H LEU 51 14.724 30.628 28.091 369 HA LEU 51 HA LEU 51 15.452 27.830 27.799 370 HB2 LEU 51 HB2 LEU 51 16.374 29.835 29.881 371 HB3 LEU 51 HB3 LEU 51 17.154 28.322 29.452 372 HG LEU 51 HG LEU 51 16.938 30.771 27.650 373 HD11 LEU 51 HD11 LEU 51 19.367 30.909 28.032 374 HD12 LEU 51 HD12 LEU 51 18.463 31.078 29.535 375 HD13 LEU 51 HD13 LEU 51 19.285 29.541 29.152 376 HD21 LEU 51 HD21 LEU 51 18.415 28.131 27.232 377 HD22 LEU 51 HD22 LEU 51 16.996 28.696 26.309 378 HD23 LEU 51 HD23 LEU 51 18.524 29.569 26.189 379 H TYR 52 H TYR 52 15.698 26.397 29.637 380 HA TYR 52 HA TYR 52 13.453 25.924 31.303 381 HB2 TYR 52 HB2 TYR 52 15.241 24.451 32.543 382 HB3 TYR 52 HB3 TYR 52 14.714 24.059 30.937 383 HD1 TYR 52 HD1 TYR 52 16.316 23.453 29.370 384 HD2 TYR 52 HD2 TYR 52 17.452 26.117 32.559 385 HE1 TYR 52 HE1 TYR 52 18.647 23.445 28.547 386 HE2 TYR 52 HE2 TYR 52 19.813 26.053 31.773 387 HH TYR 52 HH TYR 52 20.817 24.003 29.012 388 H GLU 53 H GLU 53 13.390 25.815 33.649 389 HA GLU 53 HA GLU 53 13.856 28.284 34.916 390 HB2 GLU 53 HB2 GLU 53 12.949 27.300 36.828 391 HB3 GLU 53 HB3 GLU 53 12.109 26.575 35.483 392 HG2 GLU 53 HG2 GLU 53 14.354 25.261 37.079 393 HG3 GLU 53 HG3 GLU 53 12.640 25.043 37.378 394 H GLN 54 H GLN 54 16.169 25.833 34.389 395 HA GLN 54 HA GLN 54 17.838 26.502 36.739 396 HB2 GLN 54 HB2 GLN 54 18.203 24.497 34.497 397 HB3 GLN 54 HB3 GLN 54 19.278 24.659 35.889 398 HG2 GLN 54 HG2 GLN 54 17.664 23.855 37.417 399 HG3 GLN 54 HG3 GLN 54 16.327 24.102 36.300 400 HE21 GLN 54 HE21 GLN 54 16.534 20.852 35.013 401 HE22 GLN 54 HE22 GLN 54 15.543 22.244 35.423 402 H ALA 55 H ALA 55 17.476 28.192 33.949 403 HA ALA 55 HA ALA 55 20.246 28.486 33.131 404 HB1 ALA 55 HB1 ALA 55 17.801 30.183 32.492 405 HB2 ALA 55 HB2 ALA 55 19.371 30.237 31.667 406 HB3 ALA 55 HB3 ALA 55 18.372 28.771 31.572 407 H VAL 56 H VAL 56 21.476 30.455 33.157 408 HA VAL 56 HA VAL 56 21.216 31.983 35.720 409 HB VAL 56 HB VAL 56 23.750 30.926 34.450 410 HG11 VAL 56 HG11 VAL 56 24.768 31.408 36.664 411 HG12 VAL 56 HG12 VAL 56 24.263 32.862 35.812 412 HG13 VAL 56 HG13 VAL 56 23.273 32.231 37.153 413 HG21 VAL 56 HG21 VAL 56 22.483 29.009 35.264 414 HG22 VAL 56 HG22 VAL 56 23.824 29.321 36.356 415 HG23 VAL 56 HG23 VAL 56 22.181 29.823 36.813 416 H VAL 57 H VAL 57 21.864 34.094 35.828 417 HA VAL 57 HA VAL 57 22.084 35.636 33.344 418 HB VAL 57 HB VAL 57 21.927 37.586 34.713 419 HG11 VAL 57 HG11 VAL 57 19.875 36.401 34.068 420 HG12 VAL 57 HG12 VAL 57 19.899 35.515 35.607 421 HG13 VAL 57 HG13 VAL 57 19.703 37.276 35.597 422 HG21 VAL 57 HG21 VAL 57 21.971 35.755 37.147 423 HG22 VAL 57 HG22 VAL 57 23.226 36.924 36.718 424 HG23 VAL 57 HG23 VAL 57 21.611 37.489 37.155 425 H TRP 58 H TRP 58 23.806 37.769 34.509 426 HA TRP 58 HA TRP 58 26.069 37.168 33.019 427 HB2 TRP 58 HB2 TRP 58 25.904 39.257 35.206 428 HB3 TRP 58 HB3 TRP 58 26.960 39.276 33.806 429 HD1 TRP 58 HD1 TRP 58 26.004 40.248 31.593 430 HE1 TRP 58 HE1 TRP 58 23.867 41.512 30.956 431 HE3 TRP 58 HE3 TRP 58 23.327 39.531 35.900 432 HZ2 TRP 58 HZ2 TRP 58 21.252 42.012 32.110 433 HZ3 TRP 58 HZ3 TRP 58 21.011 40.399 36.094 434 HH2 TRP 58 HH2 TRP 58 19.962 41.620 34.207 435 HA PRO 59 HA PRO 59 29.011 35.311 35.990 436 HB2 PRO 59 HB2 PRO 59 31.338 35.703 34.630 437 HB3 PRO 59 HB3 PRO 59 30.130 34.483 34.124 438 HG2 PRO 59 HG2 PRO 59 30.469 37.316 33.071 439 HG3 PRO 59 HG3 PRO 59 30.356 35.798 32.122 440 HD2 PRO 59 HD2 PRO 59 28.197 37.384 32.553 441 HD3 PRO 59 HD3 PRO 59 28.038 35.598 32.557 442 H LEU 60 H LEU 60 30.859 36.102 37.293 443 HA LEU 60 HA LEU 60 30.387 38.783 38.251 444 HB2 LEU 60 HB2 LEU 60 32.145 36.456 38.962 445 HB3 LEU 60 HB3 LEU 60 32.749 38.032 39.416 446 HG LEU 60 HG LEU 60 30.614 38.523 40.616 447 HD11 LEU 60 HD11 LEU 60 29.065 36.649 41.143 448 HD12 LEU 60 HD12 LEU 60 29.036 37.065 39.427 449 HD13 LEU 60 HD13 LEU 60 29.923 35.625 39.970 450 HD21 LEU 60 HD21 LEU 60 31.911 35.920 41.493 451 HD22 LEU 60 HD22 LEU 60 32.573 37.544 41.782 452 HD23 LEU 60 HD23 LEU 60 31.027 37.075 42.517 453 HA PRO 61 HA PRO 61 33.296 41.205 35.890 454 HB2 PRO 61 HB2 PRO 61 34.219 43.015 37.752 455 HB3 PRO 61 HB3 PRO 61 32.593 43.078 37.008 456 HG2 PRO 61 HG2 PRO 61 33.383 41.856 39.673 457 HG3 PRO 61 HG3 PRO 61 32.044 43.003 39.339 458 HD2 PRO 61 HD2 PRO 61 31.592 40.349 39.491 459 HD3 PRO 61 HD3 PRO 61 30.770 41.324 38.236 460 H ASN 62 H ASN 62 34.295 39.452 38.742 461 HA ASN 62 HA ASN 62 37.108 39.461 38.643 462 HB2 ASN 62 HB2 ASN 62 35.064 37.226 39.152 463 HB3 ASN 62 HB3 ASN 62 36.772 37.079 39.462 464 HD21 ASN 62 HD21 ASN 62 36.493 38.484 42.657 465 HD22 ASN 62 HD22 ASN 62 37.450 37.566 41.489 466 H LYS 63 H LYS 63 34.772 37.832 36.523 467 HA LYS 63 HA LYS 63 36.794 36.203 35.162 468 HB2 LYS 63 HB2 LYS 63 33.879 36.626 34.429 469 HB3 LYS 63 HB3 LYS 63 34.960 35.379 33.839 470 HG2 LYS 63 HG2 LYS 63 33.947 35.680 36.709 471 HG3 LYS 63 HG3 LYS 63 33.377 34.538 35.500 472 HD2 LYS 63 HD2 LYS 63 35.732 33.560 35.431 473 HD3 LYS 63 HD3 LYS 63 36.111 34.564 36.844 474 HE2 LYS 63 HE2 LYS 63 34.377 33.490 38.166 475 HE3 LYS 63 HE3 LYS 63 33.732 32.660 36.740 476 HZ1 LYS 63 HZ1 LYS 63 35.064 31.111 37.955 477 HZ2 LYS 63 HZ2 LYS 63 35.894 31.480 36.591 478 HZ3 LYS 63 HZ3 LYS 63 36.361 32.132 38.009 479 H ARG 64 H ARG 64 38.138 38.036 34.667 480 HA ARG 64 HA ARG 64 37.505 40.170 32.865 481 HB2 ARG 64 HB2 ARG 64 40.220 38.905 33.424 482 HB3 ARG 64 HB3 ARG 64 39.945 40.514 32.777 483 HG2 ARG 64 HG2 ARG 64 39.225 39.566 35.577 484 HG3 ARG 64 HG3 ARG 64 40.591 40.560 35.144 485 HD2 ARG 64 HD2 ARG 64 37.670 41.353 34.756 486 HD3 ARG 64 HD3 ARG 64 38.638 41.820 36.139 487 HE ARG 64 HE ARG 64 38.568 43.077 33.576 488 HH11 ARG 64 HH11 ARG 64 40.756 42.514 36.269 489 HH12 ARG 64 HH12 ARG 64 41.946 43.661 35.672 490 HH21 ARG 64 HH21 ARG 64 40.014 44.751 33.061 491 HH22 ARG 64 HH22 ARG 64 41.504 44.901 33.963 492 H CYS 65 H CYS 65 37.857 36.917 31.983 493 HA CYS 65 HA CYS 65 39.221 37.096 29.524 494 HB2 CYS 65 HB2 CYS 65 38.758 35.002 30.693 495 HB3 CYS 65 HB3 CYS 65 37.025 35.233 30.471 496 H LYS 66 H LYS 66 38.709 37.707 27.492 497 HA LYS 66 HA LYS 66 36.186 39.166 27.127 498 HB2 LYS 66 HB2 LYS 66 37.140 40.242 25.326 499 HB3 LYS 66 HB3 LYS 66 38.392 40.145 26.559 500 HG2 LYS 66 HG2 LYS 66 39.484 38.291 25.299 501 HG3 LYS 66 HG3 LYS 66 38.183 38.353 24.093 502 HD2 LYS 66 HD2 LYS 66 38.774 40.851 23.812 503 HD3 LYS 66 HD3 LYS 66 40.265 40.496 24.689 504 HE2 LYS 66 HE2 LYS 66 39.306 39.156 22.118 505 HE3 LYS 66 HE3 LYS 66 40.503 40.462 22.203 506 HZ1 LYS 66 HZ1 LYS 66 41.932 38.961 23.533 507 HZ2 LYS 66 HZ2 LYS 66 40.822 37.766 23.405 508 HZ3 LYS 66 HZ3 LYS 66 41.607 38.286 22.076 509 HN1 NH2 67 HN1 NH2 67 36.771 35.947 26.567 510 HN2 NH2 67 HN2 NH2 67 35.618 35.743 25.260
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