NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631401 | 6bam | 30354 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 15.831 33.071 13.999 2 H2 GLY 1 H2 GLY 1 15.808 32.201 15.390 3 H3 GLY 1 H3 GLY 1 15.604 31.429 13.947 4 HA2 GLY 1 HA2 GLY 1 17.842 31.905 13.284 5 HA3 GLY 1 HA3 GLY 1 18.041 32.841 14.782 6 H SER 2 H SER 2 19.770 31.499 15.485 7 HA SER 2 HA SER 2 19.375 28.666 16.043 8 HB2 SER 2 HB2 SER 2 21.413 30.619 17.128 9 HB3 SER 2 HB3 SER 2 21.451 28.861 17.355 10 HG SER 2 HG SER 2 22.699 29.823 15.591 11 H ALA 3 H ALA 3 19.305 27.685 18.209 12 HA ALA 3 HA ALA 3 17.835 29.309 20.235 13 HB1 ALA 3 HB1 ALA 3 16.915 26.644 19.088 14 HB2 ALA 3 HB2 ALA 3 16.082 27.624 20.313 15 HB3 ALA 3 HB3 ALA 3 16.237 28.236 18.662 16 H CYS 4 H CYS 4 20.605 28.053 20.093 17 HA CYS 4 HA CYS 4 20.681 25.991 22.093 18 HB2 CYS 4 HB2 CYS 4 23.130 26.355 21.939 19 HB3 CYS 4 HB3 CYS 4 22.333 26.086 20.393 20 H GLN 5 H GLN 5 21.082 26.080 24.256 21 HA GLN 5 HA GLN 5 20.520 28.625 25.611 22 HB2 GLN 5 HB2 GLN 5 21.018 25.870 26.771 23 HB3 GLN 5 HB3 GLN 5 20.322 27.244 27.625 24 HG2 GLN 5 HG2 GLN 5 18.975 25.815 25.305 25 HG3 GLN 5 HG3 GLN 5 18.681 25.517 27.008 26 HE21 GLN 5 HE21 GLN 5 15.917 27.689 26.291 27 HE22 GLN 5 HE22 GLN 5 16.416 26.008 26.088 28 H PHE 6 H PHE 6 21.720 28.773 27.863 29 HA PHE 6 HA PHE 6 24.254 29.845 27.513 30 HB2 PHE 6 HB2 PHE 6 22.563 30.106 29.373 31 HB3 PHE 6 HB3 PHE 6 23.115 28.596 30.041 32 HD1 PHE 6 HD1 PHE 6 26.149 30.100 28.951 33 HD2 PHE 6 HD2 PHE 6 23.009 30.552 31.885 34 HE1 PHE 6 HE1 PHE 6 27.668 31.398 30.386 35 HE2 PHE 6 HE2 PHE 6 24.541 31.886 33.302 36 HZ PHE 6 HZ PHE 6 26.878 32.314 32.554 37 H TRP 7 H TRP 7 23.551 26.744 29.130 38 HA TRP 7 HA TRP 7 26.108 25.552 28.175 39 HB2 TRP 7 HB2 TRP 7 26.568 24.792 30.520 40 HB3 TRP 7 HB3 TRP 7 26.660 26.525 30.299 41 HD1 TRP 7 HD1 TRP 7 25.389 27.970 31.931 42 HE1 TRP 7 HE1 TRP 7 23.613 27.636 33.777 43 HE3 TRP 7 HE3 TRP 7 24.297 23.008 31.166 44 HZ2 TRP 7 HZ2 TRP 7 21.948 25.529 34.753 45 HZ3 TRP 7 HZ3 TRP 7 22.536 21.897 32.512 46 HH2 TRP 7 HH2 TRP 7 21.369 23.150 34.320 47 H SER 8 H SER 8 22.776 25.007 28.547 48 HA SER 8 HA SER 8 22.754 22.269 29.196 49 HB2 SER 8 HB2 SER 8 20.883 23.754 27.328 50 HB3 SER 8 HB3 SER 8 20.613 22.128 27.971 51 HG SER 8 HG SER 8 19.584 23.546 29.319 52 H CYS 9 H CYS 9 23.673 23.666 26.036 53 HA CYS 9 HA CYS 9 23.754 21.126 24.600 54 HB2 CYS 9 HB2 CYS 9 23.778 23.275 23.411 55 HB3 CYS 9 HB3 CYS 9 25.273 23.736 24.241 56 H ASN 10 H ASN 10 26.161 23.095 26.392 57 HA ASN 10 HA ASN 10 28.402 21.429 26.024 58 HB2 ASN 10 HB2 ASN 10 27.803 23.245 28.404 59 HB3 ASN 10 HB3 ASN 10 29.377 22.720 27.851 60 HD21 ASN 10 HD21 ASN 10 29.611 25.349 25.499 61 HD22 ASN 10 HD22 ASN 10 30.411 23.983 26.291 62 H SER 11 H SER 11 26.010 21.406 28.712 63 HA SER 11 HA SER 11 27.044 19.088 30.046 64 HB2 SER 11 HB2 SER 11 25.456 20.522 31.156 65 HB3 SER 11 HB3 SER 11 24.218 20.198 29.917 66 HG SER 11 HG SER 11 24.253 18.868 32.024 67 H SER 12 H SER 12 24.644 19.301 27.338 68 HA SER 12 HA SER 12 24.070 16.493 27.235 69 HB2 SER 12 HB2 SER 12 22.701 18.145 26.056 70 HB3 SER 12 HB3 SER 12 24.061 18.567 25.005 71 HG SER 12 HG SER 12 22.793 16.023 25.208 72 H CYS 13 H CYS 13 26.576 18.433 25.542 73 HA CYS 13 HA CYS 13 27.825 16.294 24.166 74 HB2 CYS 13 HB2 CYS 13 28.940 18.925 25.213 75 HB3 CYS 13 HB3 CYS 13 29.796 17.844 24.137 76 H ILE 14 H ILE 14 28.699 17.701 27.395 77 HA ILE 14 HA ILE 14 30.786 15.832 27.980 78 HB ILE 14 HB ILE 14 28.960 17.523 29.715 79 HG12 ILE 14 HG12 ILE 14 31.944 17.800 29.110 80 HG13 ILE 14 HG13 ILE 14 30.711 18.572 28.131 81 HG21 ILE 14 HG21 ILE 14 31.356 15.860 30.612 82 HG22 ILE 14 HG22 ILE 14 30.535 17.084 31.601 83 HG23 ILE 14 HG23 ILE 14 29.665 15.639 31.120 84 HD11 ILE 14 HD11 ILE 14 29.873 19.801 30.141 85 HD12 ILE 14 HD12 ILE 14 31.249 19.148 31.063 86 HD13 ILE 14 HD13 ILE 14 31.536 20.202 29.672 87 H SER 15 H SER 15 27.240 15.572 28.387 88 HA SER 15 HA SER 15 27.362 13.030 29.707 89 HB2 SER 15 HB2 SER 15 25.066 14.173 28.065 90 HB3 SER 15 HB3 SER 15 24.974 12.835 29.228 91 HG SER 15 HG SER 15 25.618 15.560 29.743 92 H ARG 16 H ARG 16 27.293 13.826 26.209 93 HA ARG 16 HA ARG 16 27.467 11.008 25.431 94 HB2 ARG 16 HB2 ARG 16 28.320 13.513 23.955 95 HB3 ARG 16 HB3 ARG 16 28.096 11.918 23.237 96 HG2 ARG 16 HG2 ARG 16 26.080 13.974 24.070 97 HG3 ARG 16 HG3 ARG 16 26.334 13.205 22.543 98 HD2 ARG 16 HD2 ARG 16 24.553 11.938 23.037 99 HD3 ARG 16 HD3 ARG 16 25.642 11.025 24.085 100 HE ARG 16 HE ARG 16 24.167 13.450 25.045 101 HH11 ARG 16 HH11 ARG 16 24.895 10.009 25.675 102 HH12 ARG 16 HH12 ARG 16 23.993 10.129 27.180 103 HH21 ARG 16 HH21 ARG 16 22.784 13.232 26.761 104 HH22 ARG 16 HH22 ARG 16 22.911 11.762 27.737 105 H GLY 17 H GLY 17 29.638 12.811 27.190 106 HA2 GLY 17 HA2 GLY 17 31.733 12.172 27.911 107 HA3 GLY 17 HA3 GLY 17 31.849 10.978 26.619 108 H TYR 18 H TYR 18 31.095 14.257 25.620 109 HA TYR 18 HA TYR 18 33.611 14.388 24.113 110 HB2 TYR 18 HB2 TYR 18 31.168 16.157 24.293 111 HB3 TYR 18 HB3 TYR 18 32.566 16.651 23.389 112 HD1 TYR 18 HD1 TYR 18 33.538 14.806 21.695 113 HD2 TYR 18 HD2 TYR 18 29.474 15.063 23.064 114 HE1 TYR 18 HE1 TYR 18 32.813 13.380 19.788 115 HE2 TYR 18 HE2 TYR 18 28.735 13.641 21.156 116 HH TYR 18 HH TYR 18 29.386 12.489 19.295 117 H ARG 19 H ARG 19 34.764 16.468 24.015 118 HA ARG 19 HA ARG 19 35.973 16.996 26.676 119 HB2 ARG 19 HB2 ARG 19 36.586 18.035 23.878 120 HB3 ARG 19 HB3 ARG 19 37.438 18.581 25.321 121 HG2 ARG 19 HG2 ARG 19 38.230 16.326 25.812 122 HG3 ARG 19 HG3 ARG 19 37.349 15.675 24.436 123 HD2 ARG 19 HD2 ARG 19 39.608 17.695 24.326 124 HD3 ARG 19 HD3 ARG 19 39.730 15.976 23.910 125 HE ARG 19 HE ARG 19 37.752 16.838 22.200 126 HH11 ARG 19 HH11 ARG 19 41.011 18.059 22.773 127 HH12 ARG 19 HH12 ARG 19 41.027 18.896 21.244 128 HH21 ARG 19 HH21 ARG 19 37.918 17.734 20.294 129 HH22 ARG 19 HH22 ARG 19 39.414 18.521 19.761 130 H GLN 20 H GLN 20 34.177 18.787 24.234 131 HA GLN 20 HA GLN 20 32.679 20.284 26.154 132 HB2 GLN 20 HB2 GLN 20 35.059 21.601 24.937 133 HB3 GLN 20 HB3 GLN 20 33.569 22.468 24.616 134 HG2 GLN 20 HG2 GLN 20 34.609 21.741 27.372 135 HG3 GLN 20 HG3 GLN 20 34.648 23.322 26.606 136 HE21 GLN 20 HE21 GLN 20 31.815 23.382 28.962 137 HE22 GLN 20 HE22 GLN 20 33.550 23.128 29.073 138 H GLY 21 H GLY 21 31.084 21.607 25.106 139 HA2 GLY 21 HA2 GLY 21 30.405 20.931 22.293 140 HA3 GLY 21 HA3 GLY 21 29.239 21.341 23.501 141 H LYS 22 H LYS 22 29.395 22.637 21.041 142 HA LYS 22 HA LYS 22 30.001 25.462 21.678 143 HB2 LYS 22 HB2 LYS 22 32.074 24.202 20.995 144 HB3 LYS 22 HB3 LYS 22 31.335 23.867 19.439 145 HG2 LYS 22 HG2 LYS 22 31.244 26.331 18.990 146 HG3 LYS 22 HG3 LYS 22 31.989 26.635 20.570 147 HD2 LYS 22 HD2 LYS 22 33.233 24.976 18.330 148 HD3 LYS 22 HD3 LYS 22 33.637 26.666 18.684 149 HE2 LYS 22 HE2 LYS 22 34.434 26.025 20.933 150 HE3 LYS 22 HE3 LYS 22 33.979 24.337 20.632 151 HZ1 LYS 22 HZ1 LYS 22 36.347 24.773 20.263 152 HZ2 LYS 22 HZ2 LYS 22 35.617 24.217 18.886 153 HZ3 LYS 22 HZ3 LYS 22 35.985 25.811 19.051 154 H CYS 23 H CYS 23 28.337 26.626 20.888 155 HA CYS 23 HA CYS 23 26.528 25.540 18.850 156 HB2 CYS 23 HB2 CYS 23 25.781 26.735 20.898 157 HB3 CYS 23 HB3 CYS 23 26.483 28.223 20.263 158 H TRP 24 H TRP 24 27.973 25.362 17.058 159 HA TRP 24 HA TRP 24 28.254 27.852 15.498 160 HB2 TRP 24 HB2 TRP 24 30.526 27.761 15.177 161 HB3 TRP 24 HB3 TRP 24 30.402 27.388 16.879 162 HD1 TRP 24 HD1 TRP 24 30.516 24.602 17.398 163 HE1 TRP 24 HE1 TRP 24 32.164 22.895 16.447 164 HE3 TRP 24 HE3 TRP 24 31.745 27.032 13.060 165 HZ2 TRP 24 HZ2 TRP 24 33.818 22.618 14.081 166 HZ3 TRP 24 HZ3 TRP 24 33.321 25.986 11.441 167 HH2 TRP 24 HH2 TRP 24 34.381 23.802 11.956 168 H GLY 25 H GLY 25 28.735 27.519 13.249 169 HA2 GLY 25 HA2 GLY 25 29.336 25.406 11.750 170 HA3 GLY 25 HA3 GLY 25 27.684 24.971 12.168 171 H ILE 26 H ILE 26 26.855 25.104 10.141 172 HA ILE 26 HA ILE 26 26.256 27.759 9.045 173 HB ILE 26 HB ILE 26 28.298 27.014 7.884 174 HG12 ILE 26 HG12 ILE 26 25.912 27.052 6.003 175 HG13 ILE 26 HG13 ILE 26 26.542 28.473 6.847 176 HG21 ILE 26 HG21 ILE 26 27.870 24.538 7.928 177 HG22 ILE 26 HG22 ILE 26 26.618 24.771 6.693 178 HG23 ILE 26 HG23 ILE 26 28.311 25.144 6.328 179 HD11 ILE 26 HD11 ILE 26 28.753 28.144 5.733 180 HD12 ILE 26 HD12 ILE 26 28.032 26.821 4.786 181 HD13 ILE 26 HD13 ILE 26 27.416 28.464 4.606 182 H GLN 27 H GLN 27 24.291 27.826 7.870 183 HA GLN 27 HA GLN 27 22.152 27.475 7.452 184 HB2 GLN 27 HB2 GLN 27 23.059 26.185 5.672 185 HB3 GLN 27 HB3 GLN 27 23.173 24.731 6.667 186 HG2 GLN 27 HG2 GLN 27 20.759 24.533 6.826 187 HG3 GLN 27 HG3 GLN 27 20.529 26.102 6.038 188 HE21 GLN 27 HE21 GLN 27 20.136 23.196 3.593 189 HE22 GLN 27 HE22 GLN 27 19.511 23.402 5.233 190 H TYR 28 H TYR 28 23.088 24.614 9.367 191 HA TYR 28 HA TYR 28 20.357 24.141 10.211 192 HB2 TYR 28 HB2 TYR 28 22.946 22.816 11.058 193 HB3 TYR 28 HB3 TYR 28 21.324 22.191 11.318 194 HD1 TYR 28 HD1 TYR 28 19.816 21.930 9.133 195 HD2 TYR 28 HD2 TYR 28 24.127 22.146 9.098 196 HE1 TYR 28 HE1 TYR 28 19.851 20.944 6.854 197 HE2 TYR 28 HE2 TYR 28 24.152 21.183 6.804 198 HH TYR 28 HH TYR 28 21.145 20.226 5.101 199 H LYS 29 H LYS 29 19.873 23.626 12.554 200 HA LYS 29 HA LYS 29 20.393 26.127 14.106 201 HB2 LYS 29 HB2 LYS 29 18.088 25.460 13.444 202 HB3 LYS 29 HB3 LYS 29 18.229 23.991 14.409 203 HG2 LYS 29 HG2 LYS 29 18.452 25.291 16.462 204 HG3 LYS 29 HG3 LYS 29 18.513 26.802 15.543 205 HD2 LYS 29 HD2 LYS 29 16.099 24.941 15.647 206 HD3 LYS 29 HD3 LYS 29 16.321 26.379 16.649 207 HE2 LYS 29 HE2 LYS 29 16.488 27.767 14.552 208 HE3 LYS 29 HE3 LYS 29 16.097 26.329 13.610 209 HZ1 LYS 29 HZ1 LYS 29 13.987 26.198 14.829 210 HZ2 LYS 29 HZ2 LYS 29 14.330 27.549 15.674 211 HZ3 LYS 29 HZ3 LYS 29 14.112 27.641 14.044 212 H TYR 30 H TYR 30 20.390 22.599 14.531 213 HA TYR 30 HA TYR 30 20.814 22.512 17.268 214 HB2 TYR 30 HB2 TYR 30 19.908 20.746 15.884 215 HB3 TYR 30 HB3 TYR 30 21.456 20.510 15.098 216 HD1 TYR 30 HD1 TYR 30 23.001 18.947 15.951 217 HD2 TYR 30 HD2 TYR 30 19.759 20.333 18.451 218 HE1 TYR 30 HE1 TYR 30 23.598 17.261 17.662 219 HE2 TYR 30 HE2 TYR 30 20.359 18.615 20.159 220 HH TYR 30 HH TYR 30 23.275 17.147 20.258 221 H CYS 31 H CYS 31 22.387 22.595 18.654 222 HA CYS 31 HA CYS 31 25.061 23.445 18.081 223 HB2 CYS 31 HB2 CYS 31 23.710 24.101 20.009 224 HB3 CYS 31 HB3 CYS 31 23.712 22.443 20.596 225 H GLN 32 H GLN 32 27.120 22.367 18.675 226 HA GLN 32 HA GLN 32 27.072 19.400 18.509 227 HB2 GLN 32 HB2 GLN 32 28.559 19.385 16.611 228 HB3 GLN 32 HB3 GLN 32 27.031 20.171 16.228 229 HG2 GLN 32 HG2 GLN 32 28.139 22.403 16.418 230 HG3 GLN 32 HG3 GLN 32 29.670 21.598 16.775 231 HE21 GLN 32 HE21 GLN 32 29.896 22.197 13.155 232 HE22 GLN 32 HE22 GLN 32 29.988 23.150 14.642 233 H CYS 33 H CYS 33 29.434 18.471 18.623 234 HA CYS 33 HA CYS 33 30.917 20.031 20.690 235 HB2 CYS 33 HB2 CYS 33 30.799 17.096 20.981 236 HB3 CYS 33 HB3 CYS 33 30.786 18.357 22.223 237 H GLN 34 H GLN 34 32.945 18.778 21.431 238 HA GLN 34 HA GLN 34 34.445 17.571 19.164 239 HB2 GLN 34 HB2 GLN 34 36.244 19.133 19.241 240 HB3 GLN 34 HB3 GLN 34 34.762 19.950 18.811 241 HG2 GLN 34 HG2 GLN 34 35.748 19.925 21.693 242 HG3 GLN 34 HG3 GLN 34 36.450 20.994 20.497 243 HE21 GLN 34 HE21 GLN 34 33.924 22.971 22.296 244 HE22 GLN 34 HE22 GLN 34 35.502 22.227 22.581 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 13.646 21.804 20.623 2 H2 GLY 1 H2 GLY 1 12.812 22.567 21.818 3 H3 GLY 1 H3 GLY 1 14.438 22.347 21.952 4 HA2 GLY 1 HA2 GLY 1 13.143 24.015 19.904 5 HA3 GLY 1 HA3 GLY 1 13.946 24.635 21.364 6 H SER 2 H SER 2 14.512 24.747 18.302 7 HA SER 2 HA SER 2 17.040 23.349 17.968 8 HB2 SER 2 HB2 SER 2 15.729 25.512 16.284 9 HB3 SER 2 HB3 SER 2 17.113 24.487 15.810 10 HG SER 2 HG SER 2 15.088 23.738 15.043 11 H ALA 3 H ALA 3 16.348 26.357 19.530 12 HA ALA 3 HA ALA 3 18.716 27.793 18.721 13 HB1 ALA 3 HB1 ALA 3 16.928 28.114 21.161 14 HB2 ALA 3 HB2 ALA 3 18.132 29.285 20.585 15 HB3 ALA 3 HB3 ALA 3 16.716 28.913 19.586 16 H CYS 4 H CYS 4 20.738 27.879 19.584 17 HA CYS 4 HA CYS 4 21.738 25.652 21.074 18 HB2 CYS 4 HB2 CYS 4 22.921 28.330 20.290 19 HB3 CYS 4 HB3 CYS 4 23.823 27.109 21.182 20 H GLN 5 H GLN 5 21.537 25.244 23.142 21 HA GLN 5 HA GLN 5 20.735 27.156 25.139 22 HB2 GLN 5 HB2 GLN 5 21.909 24.366 25.334 23 HB3 GLN 5 HB3 GLN 5 21.247 25.263 26.700 24 HG2 GLN 5 HG2 GLN 5 19.022 25.212 25.830 25 HG3 GLN 5 HG3 GLN 5 19.562 24.676 24.240 26 HE21 GLN 5 HE21 GLN 5 20.268 21.273 25.379 27 HE22 GLN 5 HE22 GLN 5 20.946 22.516 24.346 28 H PHE 6 H PHE 6 21.892 28.280 26.641 29 HA PHE 6 HA PHE 6 24.451 29.214 26.018 30 HB2 PHE 6 HB2 PHE 6 22.999 29.203 28.696 31 HB3 PHE 6 HB3 PHE 6 24.352 30.270 28.265 32 HD1 PHE 6 HD1 PHE 6 20.744 29.812 28.085 33 HD2 PHE 6 HD2 PHE 6 24.076 31.909 26.350 34 HE1 PHE 6 HE1 PHE 6 19.202 31.499 27.131 35 HE2 PHE 6 HE2 PHE 6 22.524 33.577 25.397 36 HZ PHE 6 HZ PHE 6 20.074 33.390 25.792 37 H TRP 7 H TRP 7 23.630 26.963 28.683 38 HA TRP 7 HA TRP 7 26.337 25.768 28.505 39 HB2 TRP 7 HB2 TRP 7 26.582 25.855 30.968 40 HB3 TRP 7 HB3 TRP 7 26.750 27.363 30.108 41 HD1 TRP 7 HD1 TRP 7 25.472 29.355 30.993 42 HE1 TRP 7 HE1 TRP 7 23.622 29.767 32.714 43 HE3 TRP 7 HE3 TRP 7 24.199 24.478 32.047 44 HZ2 TRP 7 HZ2 TRP 7 21.646 28.220 34.120 45 HZ3 TRP 7 HZ3 TRP 7 22.252 24.003 33.497 46 HH2 TRP 7 HH2 TRP 7 20.950 25.853 34.504 47 H SER 8 H SER 8 22.953 25.284 28.965 48 HA SER 8 HA SER 8 23.179 22.567 29.968 49 HB2 SER 8 HB2 SER 8 21.096 23.781 30.085 50 HB3 SER 8 HB3 SER 8 20.998 23.898 28.326 51 HG SER 8 HG SER 8 19.818 22.141 29.570 52 H CYS 9 H CYS 9 23.780 23.916 26.745 53 HA CYS 9 HA CYS 9 23.819 21.386 25.353 54 HB2 CYS 9 HB2 CYS 9 23.680 23.316 23.998 55 HB3 CYS 9 HB3 CYS 9 25.081 24.077 24.758 56 H ASN 10 H ASN 10 26.498 23.292 26.936 57 HA ASN 10 HA ASN 10 28.552 21.420 26.514 58 HB2 ASN 10 HB2 ASN 10 28.035 23.204 28.924 59 HB3 ASN 10 HB3 ASN 10 29.518 22.298 28.701 60 HD21 ASN 10 HD21 ASN 10 29.830 25.855 27.489 61 HD22 ASN 10 HD22 ASN 10 29.212 25.133 28.976 62 H SER 11 H SER 11 26.255 21.438 29.312 63 HA SER 11 HA SER 11 27.254 19.138 30.616 64 HB2 SER 11 HB2 SER 11 24.355 20.057 30.469 65 HB3 SER 11 HB3 SER 11 25.073 18.996 31.695 66 HG SER 11 HG SER 11 24.962 21.087 32.479 67 H SER 12 H SER 12 24.785 19.363 28.001 68 HA SER 12 HA SER 12 24.291 16.527 27.893 69 HB2 SER 12 HB2 SER 12 22.741 18.206 27.017 70 HB3 SER 12 HB3 SER 12 23.890 18.629 25.731 71 HG SER 12 HG SER 12 23.512 16.787 24.741 72 H CYS 13 H CYS 13 26.556 18.626 26.014 73 HA CYS 13 HA CYS 13 27.595 16.600 24.347 74 HB2 CYS 13 HB2 CYS 13 29.009 19.037 25.543 75 HB3 CYS 13 HB3 CYS 13 29.641 18.068 24.257 76 H ILE 14 H ILE 14 28.681 17.534 27.668 77 HA ILE 14 HA ILE 14 30.808 15.659 27.887 78 HB ILE 14 HB ILE 14 28.970 16.922 29.938 79 HG12 ILE 14 HG12 ILE 14 31.920 17.472 29.411 80 HG13 ILE 14 HG13 ILE 14 30.672 18.293 28.499 81 HG21 ILE 14 HG21 ILE 14 30.596 16.225 31.679 82 HG22 ILE 14 HG22 ILE 14 29.825 14.837 30.945 83 HG23 ILE 14 HG23 ILE 14 31.484 15.272 30.476 84 HD11 ILE 14 HD11 ILE 14 31.380 19.697 30.345 85 HD12 ILE 14 HD12 ILE 14 29.685 19.217 30.562 86 HD13 ILE 14 HD13 ILE 14 30.965 18.438 31.518 87 H SER 15 H SER 15 27.318 15.228 28.558 88 HA SER 15 HA SER 15 27.556 12.489 29.383 89 HB2 SER 15 HB2 SER 15 25.581 13.689 30.005 90 HB3 SER 15 HB3 SER 15 25.249 14.169 28.331 91 HG SER 15 HG SER 15 23.908 12.494 29.005 92 H ARG 16 H ARG 16 27.060 13.908 26.122 93 HA ARG 16 HA ARG 16 26.963 11.300 24.801 94 HB2 ARG 16 HB2 ARG 16 27.663 14.075 23.743 95 HB3 ARG 16 HB3 ARG 16 27.365 12.654 22.749 96 HG2 ARG 16 HG2 ARG 16 25.337 14.151 24.440 97 HG3 ARG 16 HG3 ARG 16 25.457 14.064 22.700 98 HD2 ARG 16 HD2 ARG 16 23.744 12.564 23.096 99 HD3 ARG 16 HD3 ARG 16 25.146 11.476 23.033 100 HE ARG 16 HE ARG 16 24.326 12.581 25.671 101 HH11 ARG 16 HH11 ARG 16 23.878 9.818 23.535 102 HH12 ARG 16 HH12 ARG 16 23.356 8.804 24.845 103 HH21 ARG 16 HH21 ARG 16 24.070 11.106 27.317 104 HH22 ARG 16 HH22 ARG 16 23.475 9.502 26.947 105 H GLY 17 H GLY 17 29.544 12.673 26.432 106 HA2 GLY 17 HA2 GLY 17 31.607 11.611 26.687 107 HA3 GLY 17 HA3 GLY 17 31.423 10.799 25.130 108 H TYR 18 H TYR 18 30.903 14.275 25.248 109 HA TYR 18 HA TYR 18 33.469 14.758 23.791 110 HB2 TYR 18 HB2 TYR 18 30.970 16.433 24.060 111 HB3 TYR 18 HB3 TYR 18 32.357 16.891 23.119 112 HD1 TYR 18 HD1 TYR 18 33.123 15.017 21.286 113 HD2 TYR 18 HD2 TYR 18 29.172 15.461 22.952 114 HE1 TYR 18 HE1 TYR 18 32.160 13.792 19.342 115 HE2 TYR 18 HE2 TYR 18 28.215 14.220 21.009 116 HH TYR 18 HH TYR 18 30.032 13.365 18.187 117 H ARG 19 H ARG 19 34.270 17.116 24.238 118 HA ARG 19 HA ARG 19 34.732 17.362 27.189 119 HB2 ARG 19 HB2 ARG 19 36.139 18.592 24.792 120 HB3 ARG 19 HB3 ARG 19 36.457 19.079 26.469 121 HG2 ARG 19 HG2 ARG 19 37.009 16.715 27.038 122 HG3 ARG 19 HG3 ARG 19 36.777 16.259 25.346 123 HD2 ARG 19 HD2 ARG 19 38.611 17.774 24.672 124 HD3 ARG 19 HD3 ARG 19 38.823 18.274 26.362 125 HE ARG 19 HE ARG 19 39.151 15.416 25.474 126 HH11 ARG 19 HH11 ARG 19 40.756 18.136 27.038 127 HH12 ARG 19 HH12 ARG 19 41.834 17.048 27.899 128 HH21 ARG 19 HH21 ARG 19 40.679 14.256 26.281 129 HH22 ARG 19 HH22 ARG 19 42.007 14.993 27.175 130 H GLN 20 H GLN 20 33.850 19.627 24.553 131 HA GLN 20 HA GLN 20 31.755 20.807 26.278 132 HB2 GLN 20 HB2 GLN 20 33.989 22.362 24.939 133 HB3 GLN 20 HB3 GLN 20 32.520 23.107 25.531 134 HG2 GLN 20 HG2 GLN 20 34.451 21.652 27.371 135 HG3 GLN 20 HG3 GLN 20 34.560 23.350 26.967 136 HE21 GLN 20 HE21 GLN 20 31.792 22.229 29.714 137 HE22 GLN 20 HE22 GLN 20 32.664 20.996 28.805 138 H GLY 21 H GLY 21 30.403 22.282 25.051 139 HA2 GLY 21 HA2 GLY 21 29.974 21.550 22.216 140 HA3 GLY 21 HA3 GLY 21 28.804 22.291 23.241 141 H LYS 22 H LYS 22 29.887 23.067 20.599 142 HA LYS 22 HA LYS 22 31.068 25.782 21.109 143 HB2 LYS 22 HB2 LYS 22 31.978 23.588 19.217 144 HB3 LYS 22 HB3 LYS 22 32.512 25.267 19.090 145 HG2 LYS 22 HG2 LYS 22 33.702 25.199 21.138 146 HG3 LYS 22 HG3 LYS 22 32.917 23.714 21.675 147 HD2 LYS 22 HD2 LYS 22 35.261 23.343 20.948 148 HD3 LYS 22 HD3 LYS 22 34.068 22.376 20.069 149 HE2 LYS 22 HE2 LYS 22 34.106 24.051 18.221 150 HE3 LYS 22 HE3 LYS 22 35.403 24.928 19.055 151 HZ1 LYS 22 HZ1 LYS 22 36.814 22.971 18.786 152 HZ2 LYS 22 HZ2 LYS 22 35.572 22.086 18.212 153 HZ3 LYS 22 HZ3 LYS 22 36.152 23.338 17.315 154 H CYS 23 H CYS 23 28.727 26.386 20.839 155 HA CYS 23 HA CYS 23 27.853 26.354 17.998 156 HB2 CYS 23 HB2 CYS 23 26.219 25.687 19.637 157 HB3 CYS 23 HB3 CYS 23 26.361 27.241 20.469 158 H TRP 24 H TRP 24 27.905 28.022 16.722 159 HA TRP 24 HA TRP 24 28.299 30.810 17.606 160 HB2 TRP 24 HB2 TRP 24 30.457 31.041 16.390 161 HB3 TRP 24 HB3 TRP 24 30.570 30.012 17.801 162 HD1 TRP 24 HD1 TRP 24 31.261 27.554 17.498 163 HE1 TRP 24 HE1 TRP 24 31.921 26.041 15.558 164 HE3 TRP 24 HE3 TRP 24 30.202 30.723 13.602 165 HZ2 TRP 24 HZ2 TRP 24 32.072 26.198 12.679 166 HZ3 TRP 24 HZ3 TRP 24 30.574 29.981 11.264 167 HH2 TRP 24 HH2 TRP 24 31.496 27.733 10.788 168 H GLY 25 H GLY 25 27.750 28.438 15.094 169 HA2 GLY 25 HA2 GLY 25 27.349 30.380 12.931 170 HA3 GLY 25 HA3 GLY 25 27.234 28.618 12.865 171 H ILE 26 H ILE 26 25.365 31.326 12.572 172 HA ILE 26 HA ILE 26 23.075 30.464 14.235 173 HB ILE 26 HB ILE 26 23.398 33.025 12.645 174 HG12 ILE 26 HG12 ILE 26 23.890 32.479 15.617 175 HG13 ILE 26 HG13 ILE 26 25.137 32.809 14.418 176 HG21 ILE 26 HG21 ILE 26 21.487 32.325 14.929 177 HG22 ILE 26 HG22 ILE 26 21.530 33.840 14.001 178 HG23 ILE 26 HG23 ILE 26 21.012 32.363 13.218 179 HD11 ILE 26 HD11 ILE 26 23.050 34.786 15.368 180 HD12 ILE 26 HD12 ILE 26 24.792 34.805 15.664 181 HD13 ILE 26 HD13 ILE 26 24.182 35.063 14.017 182 H GLN 27 H GLN 27 23.096 28.527 12.815 183 HA GLN 27 HA GLN 27 21.707 28.845 10.202 184 HB2 GLN 27 HB2 GLN 27 23.045 26.482 11.560 185 HB3 GLN 27 HB3 GLN 27 22.265 26.393 9.974 186 HG2 GLN 27 HG2 GLN 27 23.906 27.772 8.945 187 HG3 GLN 27 HG3 GLN 27 24.446 28.440 10.470 188 HE21 GLN 27 HE21 GLN 27 27.198 26.299 10.330 189 HE22 GLN 27 HE22 GLN 27 26.597 27.964 10.279 190 H TYR 28 H TYR 28 20.823 28.494 13.375 191 HA TYR 28 HA TYR 28 19.091 27.774 14.572 192 HB2 TYR 28 HB2 TYR 28 17.440 27.448 12.080 193 HB3 TYR 28 HB3 TYR 28 16.881 27.701 13.719 194 HD1 TYR 28 HD1 TYR 28 17.017 29.964 14.778 195 HD2 TYR 28 HD2 TYR 28 18.140 29.290 10.668 196 HE1 TYR 28 HE1 TYR 28 16.863 32.406 14.335 197 HE2 TYR 28 HE2 TYR 28 17.976 31.736 10.224 198 HH TYR 28 HH TYR 28 17.068 34.080 12.775 199 H LYS 29 H LYS 29 21.072 25.989 13.782 200 HA LYS 29 HA LYS 29 19.702 23.322 13.641 201 HB2 LYS 29 HB2 LYS 29 21.139 23.907 11.701 202 HB3 LYS 29 HB3 LYS 29 22.520 24.092 12.783 203 HG2 LYS 29 HG2 LYS 29 22.341 21.706 13.437 204 HG3 LYS 29 HG3 LYS 29 20.926 21.514 12.400 205 HD2 LYS 29 HD2 LYS 29 23.762 22.204 11.508 206 HD3 LYS 29 HD3 LYS 29 23.008 20.626 11.387 207 HE2 LYS 29 HE2 LYS 29 22.192 23.146 9.867 208 HE3 LYS 29 HE3 LYS 29 23.033 21.740 9.220 209 HZ1 LYS 29 HZ1 LYS 29 20.822 21.402 8.647 210 HZ2 LYS 29 HZ2 LYS 29 20.985 20.452 9.974 211 HZ3 LYS 29 HZ3 LYS 29 20.225 21.918 10.086 212 H TYR 30 H TYR 30 20.310 21.730 15.101 213 HA TYR 30 HA TYR 30 20.697 22.556 17.720 214 HB2 TYR 30 HB2 TYR 30 19.525 20.570 17.103 215 HB3 TYR 30 HB3 TYR 30 20.962 19.856 16.385 216 HD1 TYR 30 HD1 TYR 30 22.554 18.660 17.690 217 HD2 TYR 30 HD2 TYR 30 19.322 20.798 19.603 218 HE1 TYR 30 HE1 TYR 30 23.020 17.474 19.816 219 HE2 TYR 30 HE2 TYR 30 19.811 19.599 21.740 220 HH TYR 30 HH TYR 30 22.122 16.935 21.892 221 H CYS 31 H CYS 31 22.248 22.227 19.299 222 HA CYS 31 HA CYS 31 24.705 23.417 18.632 223 HB2 CYS 31 HB2 CYS 31 23.381 23.786 20.657 224 HB3 CYS 31 HB3 CYS 31 23.738 22.161 21.201 225 H GLN 32 H GLN 32 26.518 22.641 17.896 226 HA GLN 32 HA GLN 32 27.209 19.809 17.894 227 HB2 GLN 32 HB2 GLN 32 28.919 20.431 16.383 228 HB3 GLN 32 HB3 GLN 32 27.499 21.398 16.002 229 HG2 GLN 32 HG2 GLN 32 28.700 23.194 17.536 230 HG3 GLN 32 HG3 GLN 32 30.146 22.259 17.177 231 HE21 GLN 32 HE21 GLN 32 29.554 25.012 14.612 232 HE22 GLN 32 HE22 GLN 32 29.813 24.951 16.369 233 H CYS 33 H CYS 33 29.260 18.899 18.626 234 HA CYS 33 HA CYS 33 30.624 20.473 20.750 235 HB2 CYS 33 HB2 CYS 33 30.297 17.561 21.179 236 HB3 CYS 33 HB3 CYS 33 30.418 18.891 22.355 237 H GLN 34 H GLN 34 32.678 19.813 21.436 238 HA GLN 34 HA GLN 34 34.838 19.895 20.798 239 HB2 GLN 34 HB2 GLN 34 33.958 17.671 21.821 240 HB3 GLN 34 HB3 GLN 34 34.402 16.953 20.270 241 HG2 GLN 34 HG2 GLN 34 36.658 17.953 20.569 242 HG3 GLN 34 HG3 GLN 34 36.194 18.571 22.143 243 HE21 GLN 34 HE21 GLN 34 37.931 15.146 22.450 244 HE22 GLN 34 HE22 GLN 34 38.334 16.525 21.454 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 15.260 30.014 20.738 2 H2 GLY 1 H2 GLY 1 13.934 29.109 20.346 3 H3 GLY 1 H3 GLY 1 14.016 30.676 19.880 4 HA2 GLY 1 HA2 GLY 1 15.748 28.511 18.911 5 HA3 GLY 1 HA3 GLY 1 14.415 29.264 18.017 6 H SER 2 H SER 2 16.928 29.149 16.975 7 HA SER 2 HA SER 2 18.577 30.240 15.975 8 HB2 SER 2 HB2 SER 2 18.161 32.285 14.964 9 HB3 SER 2 HB3 SER 2 16.590 31.496 15.158 10 HG SER 2 HG SER 2 16.378 32.784 17.112 11 H ALA 3 H ALA 3 18.859 30.163 18.988 12 HA ALA 3 HA ALA 3 21.261 31.871 19.086 13 HB1 ALA 3 HB1 ALA 3 20.606 32.918 21.192 14 HB2 ALA 3 HB2 ALA 3 19.390 33.273 19.960 15 HB3 ALA 3 HB3 ALA 3 19.069 32.036 21.193 16 H CYS 4 H CYS 4 22.799 31.332 20.652 17 HA CYS 4 HA CYS 4 23.306 28.603 21.083 18 HB2 CYS 4 HB2 CYS 4 25.057 30.263 21.011 19 HB3 CYS 4 HB3 CYS 4 24.332 31.168 22.328 20 H GLN 5 H GLN 5 23.014 27.141 22.731 21 HA GLN 5 HA GLN 5 21.536 27.914 25.184 22 HB2 GLN 5 HB2 GLN 5 22.619 25.225 24.216 23 HB3 GLN 5 HB3 GLN 5 21.815 25.519 25.756 24 HG2 GLN 5 HG2 GLN 5 19.844 26.443 24.470 25 HG3 GLN 5 HG3 GLN 5 20.595 25.823 22.999 26 HE21 GLN 5 HE21 GLN 5 18.087 23.402 24.430 27 HE22 GLN 5 HE22 GLN 5 18.083 25.065 23.823 28 H PHE 6 H PHE 6 22.716 28.940 26.623 29 HA PHE 6 HA PHE 6 25.385 29.436 26.743 30 HB2 PHE 6 HB2 PHE 6 23.390 29.122 29.013 31 HB3 PHE 6 HB3 PHE 6 24.961 29.922 29.180 32 HD1 PHE 6 HD1 PHE 6 21.570 30.242 27.674 33 HD2 PHE 6 HD2 PHE 6 25.399 32.135 28.274 34 HE1 PHE 6 HE1 PHE 6 20.648 32.380 26.838 35 HE2 PHE 6 HE2 PHE 6 24.447 34.287 27.473 36 HZ PHE 6 HZ PHE 6 22.084 34.404 26.708 37 H TRP 7 H TRP 7 23.835 26.743 28.526 38 HA TRP 7 HA TRP 7 26.431 25.312 28.531 39 HB2 TRP 7 HB2 TRP 7 26.228 24.824 30.980 40 HB3 TRP 7 HB3 TRP 7 26.687 26.460 30.557 41 HD1 TRP 7 HD1 TRP 7 25.339 28.375 31.550 42 HE1 TRP 7 HE1 TRP 7 23.289 28.592 33.075 43 HE3 TRP 7 HE3 TRP 7 23.704 23.510 31.443 44 HZ2 TRP 7 HZ2 TRP 7 21.170 26.932 34.036 45 HZ3 TRP 7 HZ3 TRP 7 21.657 22.869 32.679 46 HH2 TRP 7 HH2 TRP 7 20.403 24.552 34.004 47 H SER 8 H SER 8 22.961 25.161 28.455 48 HA SER 8 HA SER 8 22.704 22.351 29.033 49 HB2 SER 8 HB2 SER 8 20.753 23.671 28.961 50 HB3 SER 8 HB3 SER 8 21.060 24.211 27.307 51 HG SER 8 HG SER 8 20.230 22.467 26.558 52 H CYS 9 H CYS 9 23.803 23.987 26.074 53 HA CYS 9 HA CYS 9 23.966 21.668 24.378 54 HB2 CYS 9 HB2 CYS 9 24.175 23.843 23.402 55 HB3 CYS 9 HB3 CYS 9 25.464 24.295 24.513 56 H ASN 10 H ASN 10 26.420 23.128 26.615 57 HA ASN 10 HA ASN 10 28.346 21.056 26.370 58 HB2 ASN 10 HB2 ASN 10 27.731 22.861 28.743 59 HB3 ASN 10 HB3 ASN 10 29.136 21.810 28.619 60 HD21 ASN 10 HD21 ASN 10 30.168 25.217 27.639 61 HD22 ASN 10 HD22 ASN 10 29.462 24.473 29.095 62 H SER 11 H SER 11 25.598 21.297 28.737 63 HA SER 11 HA SER 11 26.178 18.949 30.173 64 HB2 SER 11 HB2 SER 11 23.461 20.148 29.523 65 HB3 SER 11 HB3 SER 11 23.782 18.913 30.754 66 HG SER 11 HG SER 11 23.773 20.860 31.733 67 H SER 12 H SER 12 24.178 19.215 27.170 68 HA SER 12 HA SER 12 23.655 16.381 26.990 69 HB2 SER 12 HB2 SER 12 22.343 18.019 25.753 70 HB3 SER 12 HB3 SER 12 23.760 18.492 24.803 71 HG SER 12 HG SER 12 23.693 16.669 23.700 72 H CYS 13 H CYS 13 26.231 18.428 25.512 73 HA CYS 13 HA CYS 13 27.578 16.390 24.100 74 HB2 CYS 13 HB2 CYS 13 28.565 18.955 25.396 75 HB3 CYS 13 HB3 CYS 13 29.538 17.976 24.308 76 H ILE 14 H ILE 14 28.148 17.449 27.516 77 HA ILE 14 HA ILE 14 30.371 15.797 28.072 78 HB ILE 14 HB ILE 14 28.155 16.941 29.781 79 HG12 ILE 14 HG12 ILE 14 31.125 17.628 29.697 80 HG13 ILE 14 HG13 ILE 14 29.986 18.369 28.606 81 HG21 ILE 14 HG21 ILE 14 30.607 15.435 30.788 82 HG22 ILE 14 HG22 ILE 14 29.520 16.402 31.795 83 HG23 ILE 14 HG23 ILE 14 28.913 14.957 31.016 84 HD11 ILE 14 HD11 ILE 14 30.277 19.882 30.419 85 HD12 ILE 14 HD12 ILE 14 28.654 19.200 30.570 86 HD13 ILE 14 HD13 ILE 14 29.963 18.632 31.624 87 H SER 15 H SER 15 26.891 14.952 28.107 88 HA SER 15 HA SER 15 27.332 12.332 29.172 89 HB2 SER 15 HB2 SER 15 25.082 11.866 28.684 90 HB3 SER 15 HB3 SER 15 25.074 13.615 28.952 91 HG SER 15 HG SER 15 25.041 13.912 26.701 92 H ARG 16 H ARG 16 27.664 13.525 25.876 93 HA ARG 16 HA ARG 16 28.002 10.823 24.746 94 HB2 ARG 16 HB2 ARG 16 28.508 13.572 23.573 95 HB3 ARG 16 HB3 ARG 16 28.471 12.057 22.669 96 HG2 ARG 16 HG2 ARG 16 26.142 13.503 24.006 97 HG3 ARG 16 HG3 ARG 16 26.464 13.309 22.301 98 HD2 ARG 16 HD2 ARG 16 24.830 11.720 22.603 99 HD3 ARG 16 HD3 ARG 16 26.281 10.723 22.788 100 HE ARG 16 HE ARG 16 24.897 11.955 25.153 101 HH11 ARG 16 HH11 ARG 16 25.876 8.867 23.619 102 HH12 ARG 16 HH12 ARG 16 25.426 8.030 25.094 103 HH21 ARG 16 HH21 ARG 16 24.254 10.675 26.781 104 HH22 ARG 16 HH22 ARG 16 24.606 8.939 26.739 105 H GLY 17 H GLY 17 29.966 12.602 26.728 106 HA2 GLY 17 HA2 GLY 17 32.094 11.849 27.420 107 HA3 GLY 17 HA3 GLY 17 32.398 11.146 25.836 108 H TYR 18 H TYR 18 31.194 14.367 25.570 109 HA TYR 18 HA TYR 18 33.854 15.313 24.674 110 HB2 TYR 18 HB2 TYR 18 31.130 16.617 24.641 111 HB3 TYR 18 HB3 TYR 18 32.569 17.291 23.910 112 HD1 TYR 18 HD1 TYR 18 33.786 15.830 22.099 113 HD2 TYR 18 HD2 TYR 18 29.679 15.378 23.278 114 HE1 TYR 18 HE1 TYR 18 33.265 14.811 19.888 115 HE2 TYR 18 HE2 TYR 18 29.160 14.315 21.095 116 HH TYR 18 HH TYR 18 31.466 14.205 18.456 117 H ARG 19 H ARG 19 34.298 17.688 25.260 118 HA ARG 19 HA ARG 19 34.115 18.002 28.261 119 HB2 ARG 19 HB2 ARG 19 35.793 19.660 26.357 120 HB3 ARG 19 HB3 ARG 19 35.820 19.653 28.106 121 HG2 ARG 19 HG2 ARG 19 36.572 17.163 27.916 122 HG3 ARG 19 HG3 ARG 19 36.807 17.514 26.194 123 HD2 ARG 19 HD2 ARG 19 38.925 17.893 27.112 124 HD3 ARG 19 HD3 ARG 19 38.242 19.515 26.948 125 HE ARG 19 HE ARG 19 37.690 18.332 29.558 126 HH11 ARG 19 HH11 ARG 19 40.313 19.967 27.848 127 HH12 ARG 19 HH12 ARG 19 41.185 20.223 29.345 128 HH21 ARG 19 HH21 ARG 19 38.659 18.964 31.324 129 HH22 ARG 19 HH22 ARG 19 40.105 19.973 31.285 130 H GLN 20 H GLN 20 33.632 19.759 25.240 131 HA GLN 20 HA GLN 20 31.424 21.367 26.424 132 HB2 GLN 20 HB2 GLN 20 33.877 22.531 25.036 133 HB3 GLN 20 HB3 GLN 20 32.388 23.424 25.355 134 HG2 GLN 20 HG2 GLN 20 32.694 23.076 27.795 135 HG3 GLN 20 HG3 GLN 20 34.226 22.258 27.467 136 HE21 GLN 20 HE21 GLN 20 35.807 25.417 26.371 137 HE22 GLN 20 HE22 GLN 20 35.875 23.684 26.070 138 H GLY 21 H GLY 21 30.020 22.255 24.894 139 HA2 GLY 21 HA2 GLY 21 29.933 21.096 22.200 140 HA3 GLY 21 HA3 GLY 21 28.751 22.105 22.957 141 H LYS 22 H LYS 22 29.167 22.750 20.515 142 HA LYS 22 HA LYS 22 30.977 25.134 20.407 143 HB2 LYS 22 HB2 LYS 22 30.395 23.093 18.243 144 HB3 LYS 22 HB3 LYS 22 31.352 24.564 18.032 145 HG2 LYS 22 HG2 LYS 22 32.933 23.774 19.806 146 HG3 LYS 22 HG3 LYS 22 32.052 22.249 19.887 147 HD2 LYS 22 HD2 LYS 22 33.438 23.344 17.402 148 HD3 LYS 22 HD3 LYS 22 34.093 22.109 18.495 149 HE2 LYS 22 HE2 LYS 22 32.122 20.667 18.044 150 HE3 LYS 22 HE3 LYS 22 31.497 21.896 16.931 151 HZ1 LYS 22 HZ1 LYS 22 33.436 21.563 15.536 152 HZ2 LYS 22 HZ2 LYS 22 34.080 20.464 16.586 153 HZ3 LYS 22 HZ3 LYS 22 32.702 20.108 15.785 154 H CYS 23 H CYS 23 28.531 25.763 21.313 155 HA CYS 23 HA CYS 23 26.452 26.052 19.445 156 HB2 CYS 23 HB2 CYS 23 25.402 27.418 21.008 157 HB3 CYS 23 HB3 CYS 23 26.364 26.313 21.979 158 H TRP 24 H TRP 24 29.348 27.935 19.534 159 HA TRP 24 HA TRP 24 28.472 30.326 18.188 160 HB2 TRP 24 HB2 TRP 24 30.879 30.591 17.780 161 HB3 TRP 24 HB3 TRP 24 30.547 30.174 19.453 162 HD1 TRP 24 HD1 TRP 24 31.540 27.914 20.380 163 HE1 TRP 24 HE1 TRP 24 33.273 26.234 19.515 164 HE3 TRP 24 HE3 TRP 24 31.783 29.454 15.496 165 HZ2 TRP 24 HZ2 TRP 24 34.652 25.686 17.042 166 HZ3 TRP 24 HZ3 TRP 24 33.322 28.340 13.914 167 HH2 TRP 24 HH2 TRP 24 34.803 26.486 14.681 168 H GLY 25 H GLY 25 29.114 27.058 17.028 169 HA2 GLY 25 HA2 GLY 25 29.742 27.785 14.302 170 HA3 GLY 25 HA3 GLY 25 29.408 26.176 14.935 171 H ILE 26 H ILE 26 26.678 26.893 15.918 172 HA ILE 26 HA ILE 26 25.098 27.515 13.539 173 HB ILE 26 HB ILE 26 25.864 25.101 13.332 174 HG12 ILE 26 HG12 ILE 26 22.843 25.370 13.520 175 HG13 ILE 26 HG13 ILE 26 23.830 26.109 12.248 176 HG21 ILE 26 HG21 ILE 26 23.887 24.532 15.575 177 HG22 ILE 26 HG22 ILE 26 24.896 23.367 14.702 178 HG23 ILE 26 HG23 ILE 26 25.641 24.542 15.792 179 HD11 ILE 26 HD11 ILE 26 22.939 24.023 11.426 180 HD12 ILE 26 HD12 ILE 26 24.703 23.897 11.591 181 HD13 ILE 26 HD13 ILE 26 23.638 23.129 12.789 182 H GLN 27 H GLN 27 22.825 27.861 14.076 183 HA GLN 27 HA GLN 27 22.313 28.126 17.028 184 HB2 GLN 27 HB2 GLN 27 22.166 30.316 14.906 185 HB3 GLN 27 HB3 GLN 27 21.430 30.411 16.497 186 HG2 GLN 27 HG2 GLN 27 23.391 31.520 16.885 187 HG3 GLN 27 HG3 GLN 27 23.756 29.915 17.490 188 HE21 GLN 27 HE21 GLN 27 26.732 30.070 15.570 189 HE22 GLN 27 HE22 GLN 27 25.932 29.568 17.060 190 H TYR 28 H TYR 28 20.813 27.629 13.861 191 HA TYR 28 HA TYR 28 18.096 27.588 15.078 192 HB2 TYR 28 HB2 TYR 28 19.158 27.179 12.269 193 HB3 TYR 28 HB3 TYR 28 17.521 26.777 12.708 194 HD1 TYR 28 HD1 TYR 28 19.922 29.625 12.414 195 HD2 TYR 28 HD2 TYR 28 15.830 28.412 13.090 196 HE1 TYR 28 HE1 TYR 28 19.163 31.963 12.060 197 HE2 TYR 28 HE2 TYR 28 15.079 30.755 12.710 198 HH TYR 28 HH TYR 28 17.408 33.413 12.200 199 H LYS 29 H LYS 29 20.458 25.219 13.819 200 HA LYS 29 HA LYS 29 18.793 22.932 14.824 201 HB2 LYS 29 HB2 LYS 29 21.313 22.987 13.138 202 HB3 LYS 29 HB3 LYS 29 20.468 21.534 13.669 203 HG2 LYS 29 HG2 LYS 29 18.459 22.222 12.389 204 HG3 LYS 29 HG3 LYS 29 19.256 23.724 11.894 205 HD2 LYS 29 HD2 LYS 29 19.388 22.181 10.064 206 HD3 LYS 29 HD3 LYS 29 21.009 22.403 10.731 207 HE2 LYS 29 HE2 LYS 29 20.627 20.256 12.070 208 HE3 LYS 29 HE3 LYS 29 19.127 20.038 11.165 209 HZ1 LYS 29 HZ1 LYS 29 21.003 18.846 10.199 210 HZ2 LYS 29 HZ2 LYS 29 20.441 19.978 9.145 211 HZ3 LYS 29 HZ3 LYS 29 21.844 20.227 9.997 212 H TYR 30 H TYR 30 19.952 21.250 16.118 213 HA TYR 30 HA TYR 30 21.102 22.551 18.391 214 HB2 TYR 30 HB2 TYR 30 19.678 20.369 18.229 215 HB3 TYR 30 HB3 TYR 30 21.222 19.558 18.032 216 HD1 TYR 30 HD1 TYR 30 19.054 21.557 20.239 217 HD2 TYR 30 HD2 TYR 30 22.836 19.493 19.970 218 HE1 TYR 30 HE1 TYR 30 19.353 21.784 22.704 219 HE2 TYR 30 HE2 TYR 30 23.125 19.723 22.441 220 HH TYR 30 HH TYR 30 21.075 21.803 24.362 221 H CYS 31 H CYS 31 23.124 22.372 19.374 222 HA CYS 31 HA CYS 31 25.305 22.767 17.653 223 HB2 CYS 31 HB2 CYS 31 26.555 23.104 19.661 224 HB3 CYS 31 HB3 CYS 31 24.948 23.765 19.902 225 H GLN 32 H GLN 32 27.327 21.800 17.502 226 HA GLN 32 HA GLN 32 27.594 18.841 17.926 227 HB2 GLN 32 HB2 GLN 32 29.105 20.810 16.166 228 HB3 GLN 32 HB3 GLN 32 29.599 19.140 16.394 229 HG2 GLN 32 HG2 GLN 32 26.869 19.920 15.278 230 HG3 GLN 32 HG3 GLN 32 28.301 19.671 14.288 231 HE21 GLN 32 HE21 GLN 32 26.207 16.455 14.766 232 HE22 GLN 32 HE22 GLN 32 25.549 18.085 14.915 233 H CYS 33 H CYS 33 30.010 18.313 18.573 234 HA CYS 33 HA CYS 33 30.873 20.257 20.689 235 HB2 CYS 33 HB2 CYS 33 30.719 17.373 21.305 236 HB3 CYS 33 HB3 CYS 33 30.615 18.747 22.425 237 H GLN 34 H GLN 34 32.695 19.415 22.045 238 HA GLN 34 HA GLN 34 34.885 18.166 20.480 239 HB2 GLN 34 HB2 GLN 34 36.353 20.089 21.097 240 HB3 GLN 34 HB3 GLN 34 35.104 20.454 19.915 241 HG2 GLN 34 HG2 GLN 34 33.784 21.680 21.529 242 HG3 GLN 34 HG3 GLN 34 34.757 21.093 22.866 243 HE21 GLN 34 HE21 GLN 34 36.391 24.188 22.811 244 HE22 GLN 34 HE22 GLN 34 35.063 23.310 23.513 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 19.207 19.660 27.745 2 H2 GLY 1 H2 GLY 1 20.559 18.970 28.380 3 H3 GLY 1 H3 GLY 1 19.081 18.350 28.729 4 HA2 GLY 1 HA2 GLY 1 20.344 17.027 27.064 5 HA3 GLY 1 HA3 GLY 1 18.728 17.569 26.548 6 H SER 2 H SER 2 19.394 17.383 24.337 7 HA SER 2 HA SER 2 21.715 18.810 23.346 8 HB2 SER 2 HB2 SER 2 19.483 17.325 21.922 9 HB3 SER 2 HB3 SER 2 20.918 17.984 21.114 10 HG SER 2 HG SER 2 22.146 16.502 21.957 11 H ALA 3 H ALA 3 18.980 20.349 24.295 12 HA ALA 3 HA ALA 3 18.216 21.921 22.070 13 HB1 ALA 3 HB1 ALA 3 18.232 22.598 25.043 14 HB2 ALA 3 HB2 ALA 3 17.296 23.447 23.787 15 HB3 ALA 3 HB3 ALA 3 16.947 21.752 24.149 16 H CYS 4 H CYS 4 18.575 24.217 21.681 17 HA CYS 4 HA CYS 4 21.402 24.788 21.421 18 HB2 CYS 4 HB2 CYS 4 19.733 25.055 19.625 19 HB3 CYS 4 HB3 CYS 4 18.965 26.341 20.531 20 H GLN 5 H GLN 5 20.957 24.803 24.094 21 HA GLN 5 HA GLN 5 20.414 27.492 25.148 22 HB2 GLN 5 HB2 GLN 5 21.153 24.822 26.354 23 HB3 GLN 5 HB3 GLN 5 20.954 26.264 27.335 24 HG2 GLN 5 HG2 GLN 5 18.763 25.151 25.524 25 HG3 GLN 5 HG3 GLN 5 18.937 24.774 27.237 26 HE21 GLN 5 HE21 GLN 5 16.692 27.880 26.570 27 HE22 GLN 5 HE22 GLN 5 16.804 26.450 25.573 28 H PHE 6 H PHE 6 21.798 28.787 26.244 29 HA PHE 6 HA PHE 6 24.133 29.541 25.180 30 HB2 PHE 6 HB2 PHE 6 22.624 30.558 27.046 31 HB3 PHE 6 HB3 PHE 6 23.674 29.737 28.171 32 HD1 PHE 6 HD1 PHE 6 23.264 32.603 25.954 33 HD2 PHE 6 HD2 PHE 6 26.198 30.350 28.168 34 HE1 PHE 6 HE1 PHE 6 24.854 34.505 25.792 35 HE2 PHE 6 HE2 PHE 6 27.770 32.259 28.026 36 HZ PHE 6 HZ PHE 6 27.103 34.340 26.840 37 H TRP 7 H TRP 7 24.024 27.496 28.090 38 HA TRP 7 HA TRP 7 26.761 26.453 27.477 39 HB2 TRP 7 HB2 TRP 7 27.345 26.561 29.866 40 HB3 TRP 7 HB3 TRP 7 27.197 28.111 29.076 41 HD1 TRP 7 HD1 TRP 7 25.945 29.878 30.326 42 HE1 TRP 7 HE1 TRP 7 24.469 30.036 32.397 43 HE3 TRP 7 HE3 TRP 7 25.325 24.866 31.248 44 HZ2 TRP 7 HZ2 TRP 7 23.167 28.222 34.226 45 HZ3 TRP 7 HZ3 TRP 7 23.942 24.122 33.157 46 HH2 TRP 7 HH2 TRP 7 22.878 25.778 34.672 47 H SER 8 H SER 8 23.522 25.751 28.591 48 HA SER 8 HA SER 8 24.043 23.241 29.801 49 HB2 SER 8 HB2 SER 8 21.593 23.692 28.100 50 HB3 SER 8 HB3 SER 8 21.780 22.675 29.526 51 HG SER 8 HG SER 8 20.738 24.490 30.145 52 H CYS 9 H CYS 9 24.051 24.021 26.365 53 HA CYS 9 HA CYS 9 24.028 21.373 25.283 54 HB2 CYS 9 HB2 CYS 9 23.729 23.266 23.850 55 HB3 CYS 9 HB3 CYS 9 25.243 23.989 24.383 56 H ASN 10 H ASN 10 26.810 23.342 26.556 57 HA ASN 10 HA ASN 10 28.845 21.442 26.029 58 HB2 ASN 10 HB2 ASN 10 29.161 23.838 26.784 59 HB3 ASN 10 HB3 ASN 10 28.644 23.367 28.395 60 HD21 ASN 10 HD21 ASN 10 31.878 22.309 29.241 61 HD22 ASN 10 HD22 ASN 10 30.277 22.805 29.788 62 H SER 11 H SER 11 26.828 21.807 28.998 63 HA SER 11 HA SER 11 27.903 19.598 30.426 64 HB2 SER 11 HB2 SER 11 25.110 20.814 30.553 65 HB3 SER 11 HB3 SER 11 25.813 19.708 31.748 66 HG SER 11 HG SER 11 26.156 21.793 32.465 67 H SER 12 H SER 12 25.161 19.701 28.123 68 HA SER 12 HA SER 12 24.451 16.932 28.267 69 HB2 SER 12 HB2 SER 12 22.968 18.555 27.304 70 HB3 SER 12 HB3 SER 12 24.147 19.003 26.062 71 HG SER 12 HG SER 12 23.751 17.233 24.958 72 H CYS 13 H CYS 13 26.717 18.640 26.032 73 HA CYS 13 HA CYS 13 27.467 16.386 24.508 74 HB2 CYS 13 HB2 CYS 13 29.044 18.888 25.283 75 HB3 CYS 13 HB3 CYS 13 29.580 17.744 24.097 76 H ILE 14 H ILE 14 29.014 17.696 27.509 77 HA ILE 14 HA ILE 14 31.134 15.792 27.618 78 HB ILE 14 HB ILE 14 29.708 17.401 29.758 79 HG12 ILE 14 HG12 ILE 14 32.519 17.669 28.588 80 HG13 ILE 14 HG13 ILE 14 31.136 18.512 27.913 81 HG21 ILE 14 HG21 ILE 14 32.214 15.676 30.069 82 HG22 ILE 14 HG22 ILE 14 31.613 16.836 31.270 83 HG23 ILE 14 HG23 ILE 14 30.655 15.423 30.879 84 HD11 ILE 14 HD11 ILE 14 32.330 20.023 29.349 85 HD12 ILE 14 HD12 ILE 14 30.750 19.666 30.082 86 HD13 ILE 14 HD13 ILE 14 32.231 18.911 30.720 87 H SER 15 H SER 15 27.759 15.541 28.806 88 HA SER 15 HA SER 15 28.126 12.901 29.896 89 HB2 SER 15 HB2 SER 15 26.291 14.346 30.611 90 HB3 SER 15 HB3 SER 15 25.617 14.339 28.978 91 HG SER 15 HG SER 15 25.488 12.463 30.976 92 H ARG 16 H ARG 16 27.038 13.956 26.615 93 HA ARG 16 HA ARG 16 26.712 11.311 25.504 94 HB2 ARG 16 HB2 ARG 16 27.555 13.945 24.240 95 HB3 ARG 16 HB3 ARG 16 27.193 12.504 23.317 96 HG2 ARG 16 HG2 ARG 16 25.209 14.086 24.985 97 HG3 ARG 16 HG3 ARG 16 25.401 14.111 23.251 98 HD2 ARG 16 HD2 ARG 16 23.684 12.635 23.315 99 HD3 ARG 16 HD3 ARG 16 25.000 11.467 23.491 100 HE ARG 16 HE ARG 16 24.024 12.563 26.026 101 HH11 ARG 16 HH11 ARG 16 23.348 10.005 23.653 102 HH12 ARG 16 HH12 ARG 16 22.272 9.182 24.729 103 HH21 ARG 16 HH21 ARG 16 22.636 11.433 27.331 104 HH22 ARG 16 HH22 ARG 16 21.846 9.993 26.749 105 H GLY 17 H GLY 17 29.606 12.732 26.637 106 HA2 GLY 17 HA2 GLY 17 31.619 11.541 26.803 107 HA3 GLY 17 HA3 GLY 17 31.194 10.555 25.407 108 H TYR 18 H TYR 18 30.952 14.065 25.212 109 HA TYR 18 HA TYR 18 33.261 14.228 23.333 110 HB2 TYR 18 HB2 TYR 18 30.994 16.122 23.996 111 HB3 TYR 18 HB3 TYR 18 32.250 16.488 22.855 112 HD1 TYR 18 HD1 TYR 18 32.574 14.756 20.862 113 HD2 TYR 18 HD2 TYR 18 28.983 15.219 23.189 114 HE1 TYR 18 HE1 TYR 18 31.215 13.943 18.946 115 HE2 TYR 18 HE2 TYR 18 27.629 14.379 21.276 116 HH TYR 18 HH TYR 18 29.077 13.210 18.274 117 H ARG 19 H ARG 19 34.531 16.264 23.501 118 HA ARG 19 HA ARG 19 35.671 16.571 26.184 119 HB2 ARG 19 HB2 ARG 19 37.011 16.642 24.073 120 HB3 ARG 19 HB3 ARG 19 36.206 18.119 23.610 121 HG2 ARG 19 HG2 ARG 19 38.381 18.662 24.458 122 HG3 ARG 19 HG3 ARG 19 37.160 19.320 25.540 123 HD2 ARG 19 HD2 ARG 19 38.981 18.390 26.833 124 HD3 ARG 19 HD3 ARG 19 37.525 17.431 27.098 125 HE ARG 19 HE ARG 19 39.749 16.655 25.211 126 HH11 ARG 19 HH11 ARG 19 37.563 15.538 27.813 127 HH12 ARG 19 HH12 ARG 19 37.854 13.877 27.321 128 HH21 ARG 19 HH21 ARG 19 40.033 14.440 24.854 129 HH22 ARG 19 HH22 ARG 19 39.118 13.318 25.851 130 H GLN 20 H GLN 20 34.133 18.834 23.970 131 HA GLN 20 HA GLN 20 32.521 20.156 26.012 132 HB2 GLN 20 HB2 GLN 20 34.810 21.632 24.611 133 HB3 GLN 20 HB3 GLN 20 33.407 22.449 25.278 134 HG2 GLN 20 HG2 GLN 20 34.009 21.087 27.476 135 HG3 GLN 20 HG3 GLN 20 35.615 21.003 26.741 136 HE21 GLN 20 HE21 GLN 20 34.174 24.681 27.943 137 HE22 GLN 20 HE22 GLN 20 33.057 23.580 27.122 138 H GLY 21 H GLY 21 31.042 21.787 24.950 139 HA2 GLY 21 HA2 GLY 21 30.970 21.898 22.033 140 HA3 GLY 21 HA3 GLY 21 29.622 21.015 22.733 141 H LYS 22 H LYS 22 29.205 23.122 21.129 142 HA LYS 22 HA LYS 22 27.726 25.051 22.791 143 HB2 LYS 22 HB2 LYS 22 30.102 25.887 22.304 144 HB3 LYS 22 HB3 LYS 22 29.626 25.936 20.603 145 HG2 LYS 22 HG2 LYS 22 27.779 27.563 21.239 146 HG3 LYS 22 HG3 LYS 22 28.332 27.453 22.922 147 HD2 LYS 22 HD2 LYS 22 29.323 29.423 22.033 148 HD3 LYS 22 HD3 LYS 22 30.611 28.195 22.123 149 HE2 LYS 22 HE2 LYS 22 30.356 27.701 19.736 150 HE3 LYS 22 HE3 LYS 22 28.975 28.801 19.624 151 HZ1 LYS 22 HZ1 LYS 22 31.798 29.627 20.163 152 HZ2 LYS 22 HZ2 LYS 22 30.945 29.868 18.797 153 HZ3 LYS 22 HZ3 LYS 22 30.522 30.653 20.157 154 H CYS 23 H CYS 23 25.958 26.031 21.651 155 HA CYS 23 HA CYS 23 25.065 24.618 19.245 156 HB2 CYS 23 HB2 CYS 23 23.489 25.407 21.007 157 HB3 CYS 23 HB3 CYS 23 23.881 27.076 20.548 158 H TRP 24 H TRP 24 25.793 25.030 17.231 159 HA TRP 24 HA TRP 24 25.879 27.706 16.163 160 HB2 TRP 24 HB2 TRP 24 28.148 28.061 15.811 161 HB3 TRP 24 HB3 TRP 24 28.068 27.598 17.481 162 HD1 TRP 24 HD1 TRP 24 28.790 24.895 17.934 163 HE1 TRP 24 HE1 TRP 24 30.789 23.627 16.945 164 HE3 TRP 24 HE3 TRP 24 29.547 27.750 13.744 165 HZ2 TRP 24 HZ2 TRP 24 32.599 23.932 14.715 166 HZ3 TRP 24 HZ3 TRP 24 31.457 27.264 12.231 167 HH2 TRP 24 HH2 TRP 24 33.004 25.382 12.725 168 H GLY 25 H GLY 25 26.918 27.682 13.878 169 HA2 GLY 25 HA2 GLY 25 27.685 25.351 12.520 170 HA3 GLY 25 HA3 GLY 25 25.966 25.559 12.205 171 H ILE 26 H ILE 26 27.877 25.576 10.218 172 HA ILE 26 HA ILE 26 27.872 28.386 9.159 173 HB ILE 26 HB ILE 26 29.108 25.843 8.039 174 HG12 ILE 26 HG12 ILE 26 30.393 26.522 9.963 175 HG13 ILE 26 HG13 ILE 26 31.294 26.850 8.500 176 HG21 ILE 26 HG21 ILE 26 30.267 27.398 6.444 177 HG22 ILE 26 HG22 ILE 26 28.529 27.290 6.189 178 HG23 ILE 26 HG23 ILE 26 29.208 28.707 7.007 179 HD11 ILE 26 HD11 ILE 26 29.866 28.888 10.248 180 HD12 ILE 26 HD12 ILE 26 31.611 28.655 10.079 181 HD13 ILE 26 HD13 ILE 26 30.675 29.286 8.713 182 H GLN 27 H GLN 27 26.534 25.143 8.686 183 HA GLN 27 HA GLN 27 24.884 26.086 6.396 184 HB2 GLN 27 HB2 GLN 27 25.327 23.241 7.337 185 HB3 GLN 27 HB3 GLN 27 24.670 23.771 5.797 186 HG2 GLN 27 HG2 GLN 27 27.558 24.013 6.744 187 HG3 GLN 27 HG3 GLN 27 26.933 22.930 5.518 188 HE21 GLN 27 HE21 GLN 27 28.565 25.636 3.656 189 HE22 GLN 27 HE22 GLN 27 29.066 24.330 4.730 190 H TYR 28 H TYR 28 24.473 24.702 9.659 191 HA TYR 28 HA TYR 28 21.861 25.869 9.806 192 HB2 TYR 28 HB2 TYR 28 20.540 23.952 10.344 193 HB3 TYR 28 HB3 TYR 28 21.203 23.732 8.744 194 HD1 TYR 28 HD1 TYR 28 22.646 21.842 8.240 195 HD2 TYR 28 HD2 TYR 28 21.380 22.607 12.294 196 HE1 TYR 28 HE1 TYR 28 23.441 19.580 8.918 197 HE2 TYR 28 HE2 TYR 28 22.201 20.341 12.967 198 HH TYR 28 HH TYR 28 23.580 18.047 10.602 199 H LYS 29 H LYS 29 21.185 26.173 12.023 200 HA LYS 29 HA LYS 29 23.466 25.925 13.890 201 HB2 LYS 29 HB2 LYS 29 22.251 28.105 13.465 202 HB3 LYS 29 HB3 LYS 29 20.858 27.416 14.318 203 HG2 LYS 29 HG2 LYS 29 22.465 26.959 16.265 204 HG3 LYS 29 HG3 LYS 29 23.667 27.922 15.417 205 HD2 LYS 29 HD2 LYS 29 20.914 28.870 16.311 206 HD3 LYS 29 HD3 LYS 29 22.394 29.137 17.214 207 HE2 LYS 29 HE2 LYS 29 21.974 30.198 14.379 208 HE3 LYS 29 HE3 LYS 29 21.521 31.080 15.839 209 HZ1 LYS 29 HZ1 LYS 29 23.882 30.822 16.573 210 HZ2 LYS 29 HZ2 LYS 29 24.275 30.295 15.090 211 HZ3 LYS 29 HZ3 LYS 29 23.655 31.823 15.290 212 H TYR 30 H TYR 30 23.637 24.390 15.365 213 HA TYR 30 HA TYR 30 21.379 23.399 16.930 214 HB2 TYR 30 HB2 TYR 30 21.426 22.041 14.748 215 HB3 TYR 30 HB3 TYR 30 22.984 21.417 15.265 216 HD1 TYR 30 HD1 TYR 30 23.060 19.549 16.810 217 HD2 TYR 30 HD2 TYR 30 19.361 21.674 16.148 218 HE1 TYR 30 HE1 TYR 30 21.834 17.832 18.124 219 HE2 TYR 30 HE2 TYR 30 18.137 19.937 17.442 220 HH TYR 30 HH TYR 30 19.587 16.953 18.495 221 H CYS 31 H CYS 31 22.186 21.946 18.733 222 HA CYS 31 HA CYS 31 24.689 22.756 19.894 223 HB2 CYS 31 HB2 CYS 31 22.792 22.042 21.216 224 HB3 CYS 31 HB3 CYS 31 22.851 20.444 20.480 225 H GLN 32 H GLN 32 26.680 22.284 19.210 226 HA GLN 32 HA GLN 32 27.293 19.563 18.130 227 HB2 GLN 32 HB2 GLN 32 28.510 22.226 17.311 228 HB3 GLN 32 HB3 GLN 32 29.040 20.652 16.739 229 HG2 GLN 32 HG2 GLN 32 26.325 21.890 16.212 230 HG3 GLN 32 HG3 GLN 32 27.688 21.870 15.105 231 HE21 GLN 32 HE21 GLN 32 25.441 19.169 13.991 232 HE22 GLN 32 HE22 GLN 32 25.433 20.944 14.064 233 H CYS 33 H CYS 33 29.496 18.883 18.455 234 HA CYS 33 HA CYS 33 30.886 20.086 20.779 235 HB2 CYS 33 HB2 CYS 33 30.397 17.200 21.000 236 HB3 CYS 33 HB3 CYS 33 30.527 18.438 22.262 237 H GLN 34 H GLN 34 32.829 18.828 21.436 238 HA GLN 34 HA GLN 34 34.453 18.144 19.042 239 HB2 GLN 34 HB2 GLN 34 35.119 19.089 21.844 240 HB3 GLN 34 HB3 GLN 34 36.346 18.707 20.628 241 HG2 GLN 34 HG2 GLN 34 35.755 20.542 19.258 242 HG3 GLN 34 HG3 GLN 34 34.166 20.708 19.974 243 HE21 GLN 34 HE21 GLN 34 35.637 23.564 21.457 244 HE22 GLN 34 HE22 GLN 34 34.969 23.010 19.913 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 18.853 32.599 12.457 2 H2 GLY 1 H2 GLY 1 19.722 31.696 13.531 3 H3 GLY 1 H3 GLY 1 20.505 32.620 12.424 4 HA2 GLY 1 HA2 GLY 1 19.726 34.638 13.429 5 HA3 GLY 1 HA3 GLY 1 18.776 33.661 14.570 6 H SER 2 H SER 2 20.762 35.614 15.301 7 HA SER 2 HA SER 2 23.316 34.370 15.787 8 HB2 SER 2 HB2 SER 2 22.196 36.897 17.034 9 HB3 SER 2 HB3 SER 2 23.899 36.469 16.844 10 HG SER 2 HG SER 2 23.791 36.860 14.723 11 H ALA 3 H ALA 3 20.427 34.352 17.734 12 HA ALA 3 HA ALA 3 21.879 34.111 20.288 13 HB1 ALA 3 HB1 ALA 3 18.916 34.285 19.626 14 HB2 ALA 3 HB2 ALA 3 19.628 34.330 21.244 15 HB3 ALA 3 HB3 ALA 3 19.982 35.630 20.106 16 H CYS 4 H CYS 4 22.208 32.257 21.411 17 HA CYS 4 HA CYS 4 20.391 29.973 21.141 18 HB2 CYS 4 HB2 CYS 4 22.203 29.804 19.351 19 HB3 CYS 4 HB3 CYS 4 23.339 29.513 20.672 20 H GLN 5 H GLN 5 20.977 28.188 22.691 21 HA GLN 5 HA GLN 5 21.289 28.955 25.364 22 HB2 GLN 5 HB2 GLN 5 21.722 26.581 25.825 23 HB3 GLN 5 HB3 GLN 5 20.307 26.883 24.853 24 HG2 GLN 5 HG2 GLN 5 22.064 26.352 22.834 25 HG3 GLN 5 HG3 GLN 5 22.884 25.496 24.127 26 HE21 GLN 5 HE21 GLN 5 19.060 24.217 23.167 27 HE22 GLN 5 HE22 GLN 5 19.472 25.907 22.869 28 H PHE 6 H PHE 6 22.887 29.074 26.834 29 HA PHE 6 HA PHE 6 25.596 29.639 26.050 30 HB2 PHE 6 HB2 PHE 6 24.192 29.125 28.701 31 HB3 PHE 6 HB3 PHE 6 25.914 29.452 28.611 32 HD1 PHE 6 HD1 PHE 6 22.913 31.077 29.277 33 HD2 PHE 6 HD2 PHE 6 26.596 31.558 27.081 34 HE1 PHE 6 HE1 PHE 6 22.663 33.543 29.381 35 HE2 PHE 6 HE2 PHE 6 26.341 34.019 27.195 36 HZ PHE 6 HZ PHE 6 24.378 35.017 28.337 37 H TRP 7 H TRP 7 24.248 26.900 27.948 38 HA TRP 7 HA TRP 7 26.532 25.171 27.182 39 HB2 TRP 7 HB2 TRP 7 27.140 24.779 29.537 40 HB3 TRP 7 HB3 TRP 7 27.429 26.421 29.018 41 HD1 TRP 7 HD1 TRP 7 26.491 28.280 30.466 42 HE1 TRP 7 HE1 TRP 7 24.910 28.473 32.472 43 HE3 TRP 7 HE3 TRP 7 24.958 23.389 30.799 44 HZ2 TRP 7 HZ2 TRP 7 23.201 26.750 34.015 45 HZ3 TRP 7 HZ3 TRP 7 23.367 22.703 32.564 46 HH2 TRP 7 HH2 TRP 7 22.496 24.362 34.180 47 H SER 8 H SER 8 23.171 25.312 27.721 48 HA SER 8 HA SER 8 22.807 22.733 28.898 49 HB2 SER 8 HB2 SER 8 20.586 22.685 27.859 50 HB3 SER 8 HB3 SER 8 20.942 24.231 28.643 51 HG SER 8 HG SER 8 20.929 23.645 25.851 52 H CYS 9 H CYS 9 23.745 23.521 25.593 53 HA CYS 9 HA CYS 9 23.662 20.754 24.649 54 HB2 CYS 9 HB2 CYS 9 23.584 22.536 23.024 55 HB3 CYS 9 HB3 CYS 9 25.059 23.253 23.645 56 H ASN 10 H ASN 10 26.271 22.934 25.913 57 HA ASN 10 HA ASN 10 28.420 21.193 25.767 58 HB2 ASN 10 HB2 ASN 10 28.395 23.653 26.434 59 HB3 ASN 10 HB3 ASN 10 27.926 23.147 28.058 60 HD21 ASN 10 HD21 ASN 10 31.229 22.251 28.914 61 HD22 ASN 10 HD22 ASN 10 29.561 22.296 29.461 62 H SER 11 H SER 11 26.205 21.466 28.592 63 HA SER 11 HA SER 11 27.501 19.449 30.171 64 HB2 SER 11 HB2 SER 11 25.896 21.216 30.981 65 HB3 SER 11 HB3 SER 11 24.574 20.279 30.262 66 HG SER 11 HG SER 11 26.295 19.678 32.420 67 H SER 12 H SER 12 24.890 19.243 27.745 68 HA SER 12 HA SER 12 24.400 16.416 28.046 69 HB2 SER 12 HB2 SER 12 22.805 17.896 26.920 70 HB3 SER 12 HB3 SER 12 23.986 18.238 25.644 71 HG SER 12 HG SER 12 22.936 15.692 26.338 72 H CYS 13 H CYS 13 26.584 18.282 25.841 73 HA CYS 13 HA CYS 13 27.698 16.104 24.494 74 HB2 CYS 13 HB2 CYS 13 29.044 18.698 25.404 75 HB3 CYS 13 HB3 CYS 13 29.711 17.615 24.217 76 H ILE 14 H ILE 14 28.908 17.580 27.576 77 HA ILE 14 HA ILE 14 31.098 15.778 27.920 78 HB ILE 14 HB ILE 14 29.431 17.285 29.950 79 HG12 ILE 14 HG12 ILE 14 32.256 17.877 28.965 80 HG13 ILE 14 HG13 ILE 14 30.841 18.551 28.162 81 HG21 ILE 14 HG21 ILE 14 32.103 15.869 30.365 82 HG22 ILE 14 HG22 ILE 14 31.296 16.911 31.553 83 HG23 ILE 14 HG23 ILE 14 30.554 15.393 31.086 84 HD11 ILE 14 HD11 ILE 14 30.132 19.629 30.284 85 HD12 ILE 14 HD12 ILE 14 31.633 19.063 31.055 86 HD13 ILE 14 HD13 ILE 14 31.704 20.186 29.693 87 H SER 15 H SER 15 27.672 15.444 28.751 88 HA SER 15 HA SER 15 27.910 12.858 30.003 89 HB2 SER 15 HB2 SER 15 25.419 14.061 28.721 90 HB3 SER 15 HB3 SER 15 25.510 12.831 29.983 91 HG SER 15 HG SER 15 26.120 15.608 30.141 92 H ARG 16 H ARG 16 27.536 13.812 26.623 93 HA ARG 16 HA ARG 16 27.301 11.036 25.618 94 HB2 ARG 16 HB2 ARG 16 27.902 13.646 24.190 95 HB3 ARG 16 HB3 ARG 16 27.551 12.119 23.402 96 HG2 ARG 16 HG2 ARG 16 25.570 13.718 25.074 97 HG3 ARG 16 HG3 ARG 16 25.718 13.745 23.339 98 HD2 ARG 16 HD2 ARG 16 23.915 12.310 23.741 99 HD3 ARG 16 HD3 ARG 16 25.264 11.232 23.354 100 HE ARG 16 HE ARG 16 24.997 11.750 26.202 101 HH11 ARG 16 HH11 ARG 16 23.555 9.843 23.629 102 HH12 ARG 16 HH12 ARG 16 23.118 8.540 24.713 103 HH21 ARG 16 HH21 ARG 16 24.266 10.006 27.574 104 HH22 ARG 16 HH22 ARG 16 23.343 8.733 26.832 105 H GLY 17 H GLY 17 29.788 12.405 27.187 106 HA2 GLY 17 HA2 GLY 17 31.850 11.385 27.496 107 HA3 GLY 17 HA3 GLY 17 31.661 10.512 25.977 108 H TYR 18 H TYR 18 31.104 13.855 25.537 109 HA TYR 18 HA TYR 18 33.697 14.287 24.180 110 HB2 TYR 18 HB2 TYR 18 31.221 16.002 24.491 111 HB3 TYR 18 HB3 TYR 18 32.580 16.409 23.484 112 HD1 TYR 18 HD1 TYR 18 29.354 15.079 23.408 113 HD2 TYR 18 HD2 TYR 18 33.250 14.560 21.645 114 HE1 TYR 18 HE1 TYR 18 28.299 14.108 21.382 115 HE2 TYR 18 HE2 TYR 18 32.185 13.579 19.617 116 HH TYR 18 HH TYR 18 30.056 12.520 18.901 117 H ARG 19 H ARG 19 34.380 16.781 24.558 118 HA ARG 19 HA ARG 19 34.825 17.147 27.516 119 HB2 ARG 19 HB2 ARG 19 36.476 18.046 25.123 120 HB3 ARG 19 HB3 ARG 19 36.781 18.509 26.789 121 HG2 ARG 19 HG2 ARG 19 36.811 15.849 27.155 122 HG3 ARG 19 HG3 ARG 19 37.094 15.840 25.413 123 HD2 ARG 19 HD2 ARG 19 38.797 17.056 27.602 124 HD3 ARG 19 HD3 ARG 19 39.231 15.734 26.516 125 HE ARG 19 HE ARG 19 38.809 17.873 24.799 126 HH11 ARG 19 HH11 ARG 19 40.938 17.499 27.626 127 HH12 ARG 19 HH12 ARG 19 41.914 18.851 27.051 128 HH21 ARG 19 HH21 ARG 19 40.160 19.491 24.254 129 HH22 ARG 19 HH22 ARG 19 41.540 19.875 25.307 130 H GLN 20 H GLN 20 33.905 18.832 24.565 131 HA GLN 20 HA GLN 20 32.242 20.679 26.117 132 HB2 GLN 20 HB2 GLN 20 33.207 22.723 25.406 133 HB3 GLN 20 HB3 GLN 20 34.483 21.814 26.182 134 HG2 GLN 20 HG2 GLN 20 34.212 21.809 23.133 135 HG3 GLN 20 HG3 GLN 20 34.911 23.164 23.983 136 HE21 GLN 20 HE21 GLN 20 37.160 19.806 23.627 137 HE22 GLN 20 HE22 GLN 20 35.439 19.611 23.360 138 H GLY 21 H GLY 21 30.764 21.956 24.770 139 HA2 GLY 21 HA2 GLY 21 30.962 21.857 21.868 140 HA3 GLY 21 HA3 GLY 21 29.553 20.996 22.483 141 H LYS 22 H LYS 22 30.077 23.652 20.946 142 HA LYS 22 HA LYS 22 28.384 25.460 22.616 143 HB2 LYS 22 HB2 LYS 22 30.735 26.164 22.587 144 HB3 LYS 22 HB3 LYS 22 30.733 26.191 20.815 145 HG2 LYS 22 HG2 LYS 22 28.938 27.944 20.881 146 HG3 LYS 22 HG3 LYS 22 28.985 27.885 22.646 147 HD2 LYS 22 HD2 LYS 22 31.215 28.783 20.796 148 HD3 LYS 22 HD3 LYS 22 30.183 29.813 21.804 149 HE2 LYS 22 HE2 LYS 22 31.151 28.250 23.754 150 HE3 LYS 22 HE3 LYS 22 32.440 27.968 22.576 151 HZ1 LYS 22 HZ1 LYS 22 31.578 30.579 23.708 152 HZ2 LYS 22 HZ2 LYS 22 33.027 29.853 23.942 153 HZ3 LYS 22 HZ3 LYS 22 32.658 30.469 22.470 154 H CYS 23 H CYS 23 26.670 26.345 21.624 155 HA CYS 23 HA CYS 23 25.821 25.357 19.009 156 HB2 CYS 23 HB2 CYS 23 24.299 25.645 20.921 157 HB3 CYS 23 HB3 CYS 23 24.656 27.374 20.949 158 H TRP 24 H TRP 24 27.318 26.177 17.456 159 HA TRP 24 HA TRP 24 26.647 28.784 16.447 160 HB2 TRP 24 HB2 TRP 24 28.545 30.007 16.760 161 HB3 TRP 24 HB3 TRP 24 28.490 29.178 18.293 162 HD1 TRP 24 HD1 TRP 24 30.262 27.076 18.554 163 HE1 TRP 24 HE1 TRP 24 32.638 26.786 17.602 164 HE3 TRP 24 HE3 TRP 24 30.007 30.440 14.694 165 HZ2 TRP 24 HZ2 TRP 24 34.188 27.837 15.412 166 HZ3 TRP 24 HZ3 TRP 24 31.932 30.735 13.156 167 HH2 TRP 24 HH2 TRP 24 34.033 29.457 13.516 168 H GLY 25 H GLY 25 27.633 29.287 14.412 169 HA2 GLY 25 HA2 GLY 25 29.287 28.820 12.711 170 HA3 GLY 25 HA3 GLY 25 29.130 27.105 13.017 171 H ILE 26 H ILE 26 28.423 26.260 11.211 172 HA ILE 26 HA ILE 26 25.834 26.993 10.050 173 HB ILE 26 HB ILE 26 27.328 28.552 8.918 174 HG12 ILE 26 HG12 ILE 26 26.502 26.392 6.954 175 HG13 ILE 26 HG13 ILE 26 25.353 27.470 7.761 176 HG21 ILE 26 HG21 ILE 26 28.815 26.155 7.793 177 HG22 ILE 26 HG22 ILE 26 29.123 27.864 7.439 178 HG23 ILE 26 HG23 ILE 26 29.440 27.237 9.059 179 HD11 ILE 26 HD11 ILE 26 25.849 28.332 5.557 180 HD12 ILE 26 HD12 ILE 26 26.541 29.432 6.760 181 HD13 ILE 26 HD13 ILE 26 27.590 28.310 5.859 182 H GLN 27 H GLN 27 28.609 24.784 10.223 183 HA GLN 27 HA GLN 27 27.595 22.680 8.599 184 HB2 GLN 27 HB2 GLN 27 29.919 22.946 9.557 185 HB3 GLN 27 HB3 GLN 27 29.259 22.567 11.142 186 HG2 GLN 27 HG2 GLN 27 30.207 20.563 10.440 187 HG3 GLN 27 HG3 GLN 27 28.495 20.316 10.163 188 HE21 GLN 27 HE21 GLN 27 30.034 18.934 7.177 189 HE22 GLN 27 HE22 GLN 27 29.503 18.548 8.825 190 H TYR 28 H TYR 28 26.909 23.554 11.973 191 HA TYR 28 HA TYR 28 25.673 21.192 12.829 192 HB2 TYR 28 HB2 TYR 28 24.951 22.427 14.721 193 HB3 TYR 28 HB3 TYR 28 26.562 22.937 14.296 194 HD1 TYR 28 HD1 TYR 28 25.011 24.924 11.963 195 HD2 TYR 28 HD2 TYR 28 25.067 24.380 16.246 196 HE1 TYR 28 HE1 TYR 28 24.208 27.238 12.272 197 HE2 TYR 28 HE2 TYR 28 24.282 26.721 16.532 198 HH TYR 28 HH TYR 28 22.823 28.466 14.210 199 H LYS 29 H LYS 29 23.599 20.540 13.290 200 HA LYS 29 HA LYS 29 21.356 21.775 11.707 201 HB2 LYS 29 HB2 LYS 29 21.462 19.115 13.182 202 HB3 LYS 29 HB3 LYS 29 20.143 19.698 12.191 203 HG2 LYS 29 HG2 LYS 29 22.942 19.027 11.177 204 HG3 LYS 29 HG3 LYS 29 21.528 17.971 11.087 205 HD2 LYS 29 HD2 LYS 29 20.376 19.622 9.632 206 HD3 LYS 29 HD3 LYS 29 21.817 20.661 9.679 207 HE2 LYS 29 HE2 LYS 29 23.179 18.850 8.689 208 HE3 LYS 29 HE3 LYS 29 21.770 17.781 8.669 209 HZ1 LYS 29 HZ1 LYS 29 21.966 20.345 7.186 210 HZ2 LYS 29 HZ2 LYS 29 22.178 18.892 6.499 211 HZ3 LYS 29 HZ3 LYS 29 20.701 19.262 7.102 212 H TYR 30 H TYR 30 22.421 21.032 14.988 213 HA TYR 30 HA TYR 30 20.562 23.070 16.061 214 HB2 TYR 30 HB2 TYR 30 19.553 20.720 16.175 215 HB3 TYR 30 HB3 TYR 30 20.827 20.317 17.317 216 HD1 TYR 30 HD1 TYR 30 20.808 21.371 19.629 217 HD2 TYR 30 HD2 TYR 30 17.665 22.047 16.756 218 HE1 TYR 30 HE1 TYR 30 19.305 22.127 21.456 219 HE2 TYR 30 HE2 TYR 30 16.154 22.796 18.590 220 HH TYR 30 HH TYR 30 17.199 22.952 22.006 221 H CYS 31 H CYS 31 23.108 20.721 17.008 222 HA CYS 31 HA CYS 31 24.997 22.745 17.766 223 HB2 CYS 31 HB2 CYS 31 23.462 22.781 19.763 224 HB3 CYS 31 HB3 CYS 31 23.840 21.077 20.031 225 H GLN 32 H GLN 32 27.118 21.820 18.227 226 HA GLN 32 HA GLN 32 27.494 18.882 17.849 227 HB2 GLN 32 HB2 GLN 32 28.916 21.098 16.305 228 HB3 GLN 32 HB3 GLN 32 29.348 19.386 16.282 229 HG2 GLN 32 HG2 GLN 32 27.125 18.840 15.318 230 HG3 GLN 32 HG3 GLN 32 26.742 20.560 15.234 231 HE21 GLN 32 HE21 GLN 32 28.171 19.276 11.939 232 HE22 GLN 32 HE22 GLN 32 26.833 18.767 12.960 233 H CYS 33 H CYS 33 29.395 18.022 18.778 234 HA CYS 33 HA CYS 33 30.828 19.846 20.674 235 HB2 CYS 33 HB2 CYS 33 30.513 16.979 21.301 236 HB3 CYS 33 HB3 CYS 33 30.545 18.387 22.365 237 H GLN 34 H GLN 34 32.809 18.987 21.595 238 HA GLN 34 HA GLN 34 34.514 17.262 19.882 239 HB2 GLN 34 HB2 GLN 34 35.312 19.886 21.221 240 HB3 GLN 34 HB3 GLN 34 36.409 18.742 20.451 241 HG2 GLN 34 HG2 GLN 34 35.138 19.158 18.274 242 HG3 GLN 34 HG3 GLN 34 34.272 20.447 19.122 243 HE21 GLN 34 HE21 GLN 34 36.989 22.329 17.604 244 HE22 GLN 34 HE22 GLN 34 35.243 22.002 17.522 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 11.693 19.203 16.663 2 H2 GLY 1 H2 GLY 1 12.961 19.253 15.612 3 H3 GLY 1 H3 GLY 1 11.976 20.564 15.786 4 HA2 GLY 1 HA2 GLY 1 12.689 20.931 18.018 5 HA3 GLY 1 HA3 GLY 1 13.670 19.463 17.919 6 H SER 2 H SER 2 15.665 20.203 18.099 7 HA SER 2 HA SER 2 17.655 21.058 17.588 8 HB2 SER 2 HB2 SER 2 17.156 19.909 15.483 9 HB3 SER 2 HB3 SER 2 16.542 21.415 14.796 10 HG SER 2 HG SER 2 18.697 20.859 14.292 11 H ALA 3 H ALA 3 17.911 22.803 18.850 12 HA ALA 3 HA ALA 3 17.918 25.427 17.476 13 HB1 ALA 3 HB1 ALA 3 16.733 26.513 19.309 14 HB2 ALA 3 HB2 ALA 3 15.708 25.250 18.607 15 HB3 ALA 3 HB3 ALA 3 16.532 24.958 20.149 16 H CYS 4 H CYS 4 19.289 26.977 18.373 17 HA CYS 4 HA CYS 4 21.702 25.938 19.483 18 HB2 CYS 4 HB2 CYS 4 21.391 27.789 17.828 19 HB3 CYS 4 HB3 CYS 4 20.807 28.811 19.141 20 H GLN 5 H GLN 5 22.827 26.589 21.371 21 HA GLN 5 HA GLN 5 21.446 27.899 23.603 22 HB2 GLN 5 HB2 GLN 5 22.720 25.141 23.857 23 HB3 GLN 5 HB3 GLN 5 22.155 26.118 25.200 24 HG2 GLN 5 HG2 GLN 5 20.318 25.038 23.024 25 HG3 GLN 5 HG3 GLN 5 20.703 24.201 24.509 26 HE21 GLN 5 HE21 GLN 5 17.860 25.670 25.980 27 HE22 GLN 5 HE22 GLN 5 18.756 24.199 25.558 28 H PHE 6 H PHE 6 22.907 28.827 25.081 29 HA PHE 6 HA PHE 6 25.448 29.633 23.986 30 HB2 PHE 6 HB2 PHE 6 24.366 29.976 26.810 31 HB3 PHE 6 HB3 PHE 6 25.671 30.895 26.070 32 HD1 PHE 6 HD1 PHE 6 25.044 32.308 23.935 33 HD2 PHE 6 HD2 PHE 6 22.169 30.787 26.761 34 HE1 PHE 6 HE1 PHE 6 23.418 34.038 23.223 35 HE2 PHE 6 HE2 PHE 6 20.542 32.507 26.018 36 HZ PHE 6 HZ PHE 6 21.164 34.149 24.259 37 H TRP 7 H TRP 7 24.589 27.696 26.821 38 HA TRP 7 HA TRP 7 27.121 26.130 26.753 39 HB2 TRP 7 HB2 TRP 7 27.242 26.727 29.339 40 HB3 TRP 7 HB3 TRP 7 28.059 27.650 28.091 41 HD1 TRP 7 HD1 TRP 7 27.712 30.136 28.106 42 HE1 TRP 7 HE1 TRP 7 25.992 31.810 28.980 43 HE3 TRP 7 HE3 TRP 7 24.415 26.821 30.216 44 HZ2 TRP 7 HZ2 TRP 7 23.440 31.708 30.367 45 HZ3 TRP 7 HZ3 TRP 7 22.334 27.636 31.276 46 HH2 TRP 7 HH2 TRP 7 21.827 30.073 31.355 47 H SER 8 H SER 8 23.753 26.212 27.417 48 HA SER 8 HA SER 8 23.566 24.012 29.238 49 HB2 SER 8 HB2 SER 8 21.537 24.951 27.185 50 HB3 SER 8 HB3 SER 8 21.218 23.904 28.573 51 HG SER 8 HG SER 8 21.206 25.581 29.849 52 H CYS 9 H CYS 9 24.807 23.908 26.124 53 HA CYS 9 HA CYS 9 23.964 21.116 25.550 54 HB2 CYS 9 HB2 CYS 9 25.587 23.179 24.068 55 HB3 CYS 9 HB3 CYS 9 25.707 21.486 23.697 56 H ASN 10 H ASN 10 26.634 22.814 27.186 57 HA ASN 10 HA ASN 10 28.642 20.928 26.647 58 HB2 ASN 10 HB2 ASN 10 28.226 22.675 29.098 59 HB3 ASN 10 HB3 ASN 10 29.679 21.706 28.817 60 HD21 ASN 10 HD21 ASN 10 30.128 25.205 27.480 61 HD22 ASN 10 HD22 ASN 10 29.502 24.630 29.032 62 H SER 11 H SER 11 26.377 20.845 29.438 63 HA SER 11 HA SER 11 27.377 18.427 30.536 64 HB2 SER 11 HB2 SER 11 24.550 19.532 30.685 65 HB3 SER 11 HB3 SER 11 25.263 18.312 31.760 66 HG SER 11 HG SER 11 25.928 21.051 31.469 67 H SER 12 H SER 12 24.899 18.843 27.957 68 HA SER 12 HA SER 12 24.216 16.015 27.899 69 HB2 SER 12 HB2 SER 12 23.040 16.621 25.782 70 HB3 SER 12 HB3 SER 12 22.549 17.547 27.214 71 HG SER 12 HG SER 12 22.815 18.980 25.542 72 H CYS 13 H CYS 13 26.344 18.141 25.868 73 HA CYS 13 HA CYS 13 27.422 16.115 24.201 74 HB2 CYS 13 HB2 CYS 13 28.679 18.615 25.396 75 HB3 CYS 13 HB3 CYS 13 29.498 17.565 24.245 76 H ILE 14 H ILE 14 28.576 17.168 27.457 77 HA ILE 14 HA ILE 14 30.705 15.323 27.709 78 HB ILE 14 HB ILE 14 28.980 16.823 29.696 79 HG12 ILE 14 HG12 ILE 14 31.936 17.147 29.017 80 HG13 ILE 14 HG13 ILE 14 30.701 17.954 28.086 81 HG21 ILE 14 HG21 ILE 14 31.394 15.077 30.315 82 HG22 ILE 14 HG22 ILE 14 30.682 16.247 31.438 83 HG23 ILE 14 HG23 ILE 14 29.737 14.856 30.928 84 HD11 ILE 14 HD11 ILE 14 29.887 19.114 30.147 85 HD12 ILE 14 HD12 ILE 14 31.224 18.381 31.050 86 HD13 ILE 14 HD13 ILE 14 31.568 19.493 29.718 87 H SER 15 H SER 15 27.214 14.819 28.394 88 HA SER 15 HA SER 15 27.636 12.208 29.480 89 HB2 SER 15 HB2 SER 15 25.320 11.846 29.307 90 HB3 SER 15 HB3 SER 15 25.462 13.589 29.560 91 HG SER 15 HG SER 15 25.198 13.865 27.290 92 H ARG 16 H ARG 16 27.454 13.252 26.098 93 HA ARG 16 HA ARG 16 27.732 10.529 25.038 94 HB2 ARG 16 HB2 ARG 16 28.144 13.201 23.652 95 HB3 ARG 16 HB3 ARG 16 27.934 11.628 22.887 96 HG2 ARG 16 HG2 ARG 16 25.845 13.292 24.337 97 HG3 ARG 16 HG3 ARG 16 25.931 12.868 22.652 98 HD2 ARG 16 HD2 ARG 16 24.388 11.310 23.200 99 HD3 ARG 16 HD3 ARG 16 25.787 10.348 23.691 100 HE ARG 16 HE ARG 16 24.934 12.043 25.858 101 HH11 ARG 16 HH11 ARG 16 23.826 9.055 24.346 102 HH12 ARG 16 HH12 ARG 16 22.675 8.786 25.653 103 HH21 ARG 16 HH21 ARG 16 23.681 11.504 27.471 104 HH22 ARG 16 HH22 ARG 16 22.828 9.957 27.473 105 H GLY 17 H GLY 17 29.835 12.153 26.876 106 HA2 GLY 17 HA2 GLY 17 31.980 11.430 27.393 107 HA3 GLY 17 HA3 GLY 17 32.113 10.616 25.839 108 H TYR 18 H TYR 18 31.068 13.814 25.331 109 HA TYR 18 HA TYR 18 33.672 14.548 24.174 110 HB2 TYR 18 HB2 TYR 18 30.959 15.883 24.227 111 HB3 TYR 18 HB3 TYR 18 32.347 16.602 23.466 112 HD1 TYR 18 HD1 TYR 18 33.644 14.983 21.738 113 HD2 TYR 18 HD2 TYR 18 29.471 14.794 22.772 114 HE1 TYR 18 HE1 TYR 18 33.154 13.916 19.539 115 HE2 TYR 18 HE2 TYR 18 28.971 13.756 20.550 116 HH TYR 18 HH TYR 18 31.506 13.097 18.119 117 H ARG 19 H ARG 19 34.309 16.876 24.445 118 HA ARG 19 HA ARG 19 34.897 17.337 27.354 119 HB2 ARG 19 HB2 ARG 19 36.183 18.306 24.761 120 HB3 ARG 19 HB3 ARG 19 36.626 18.905 26.346 121 HG2 ARG 19 HG2 ARG 19 38.214 17.248 25.571 122 HG3 ARG 19 HG3 ARG 19 37.443 16.802 27.083 123 HD2 ARG 19 HD2 ARG 19 37.780 14.890 25.634 124 HD3 ARG 19 HD3 ARG 19 36.069 15.139 25.984 125 HE ARG 19 HE ARG 19 36.329 16.432 23.574 126 HH11 ARG 19 HH11 ARG 19 37.211 13.134 24.517 127 HH12 ARG 19 HH12 ARG 19 37.084 12.583 22.863 128 HH21 ARG 19 HH21 ARG 19 36.412 15.707 21.591 129 HH22 ARG 19 HH22 ARG 19 36.690 14.014 21.209 130 H GLN 20 H GLN 20 33.626 19.067 24.523 131 HA GLN 20 HA GLN 20 32.151 20.974 26.215 132 HB2 GLN 20 HB2 GLN 20 34.560 21.830 26.028 133 HB3 GLN 20 HB3 GLN 20 34.303 21.879 24.282 134 HG2 GLN 20 HG2 GLN 20 32.213 23.423 24.991 135 HG3 GLN 20 HG3 GLN 20 33.165 23.641 26.445 136 HE21 GLN 20 HE21 GLN 20 33.932 26.372 24.015 137 HE22 GLN 20 HE22 GLN 20 32.489 25.748 24.800 138 H GLY 21 H GLY 21 30.400 21.869 25.084 139 HA2 GLY 21 HA2 GLY 21 30.167 21.374 22.179 140 HA3 GLY 21 HA3 GLY 21 28.800 21.531 23.245 141 H LYS 22 H LYS 22 29.502 22.964 20.802 142 HA LYS 22 HA LYS 22 29.435 25.795 21.712 143 HB2 LYS 22 HB2 LYS 22 31.223 24.639 19.551 144 HB3 LYS 22 HB3 LYS 22 30.843 26.355 19.711 145 HG2 LYS 22 HG2 LYS 22 31.633 26.193 22.155 146 HG3 LYS 22 HG3 LYS 22 32.315 24.616 21.730 147 HD2 LYS 22 HD2 LYS 22 32.967 27.245 20.343 148 HD3 LYS 22 HD3 LYS 22 33.942 26.519 21.634 149 HE2 LYS 22 HE2 LYS 22 34.429 24.571 20.295 150 HE3 LYS 22 HE3 LYS 22 33.304 25.102 19.033 151 HZ1 LYS 22 HZ1 LYS 22 35.728 26.673 19.788 152 HZ2 LYS 22 HZ2 LYS 22 35.699 25.604 18.551 153 HZ3 LYS 22 HZ3 LYS 22 34.730 26.928 18.517 154 H CYS 23 H CYS 23 28.379 27.230 20.395 155 HA CYS 23 HA CYS 23 27.146 26.410 17.881 156 HB2 CYS 23 HB2 CYS 23 25.499 25.564 19.484 157 HB3 CYS 23 HB3 CYS 23 25.425 27.140 20.277 158 H TRP 24 H TRP 24 26.984 28.119 16.525 159 HA TRP 24 HA TRP 24 26.635 30.883 17.431 160 HB2 TRP 24 HB2 TRP 24 28.744 31.755 16.609 161 HB3 TRP 24 HB3 TRP 24 29.040 30.596 17.885 162 HD1 TRP 24 HD1 TRP 24 30.195 28.306 17.218 163 HE1 TRP 24 HE1 TRP 24 31.509 27.502 15.185 164 HE3 TRP 24 HE3 TRP 24 29.082 32.117 13.986 165 HZ2 TRP 24 HZ2 TRP 24 32.036 28.404 12.484 166 HZ3 TRP 24 HZ3 TRP 24 30.004 32.114 11.677 167 HH2 TRP 24 HH2 TRP 24 31.481 30.268 10.921 168 H GLY 25 H GLY 25 26.568 28.531 14.896 169 HA2 GLY 25 HA2 GLY 25 25.925 30.608 12.839 170 HA3 GLY 25 HA3 GLY 25 26.592 29.016 12.497 171 H ILE 26 H ILE 26 23.829 30.805 12.511 172 HA ILE 26 HA ILE 26 21.623 30.496 12.316 173 HB ILE 26 HB ILE 26 22.257 27.599 11.707 174 HG12 ILE 26 HG12 ILE 26 21.678 29.958 9.852 175 HG13 ILE 26 HG13 ILE 26 23.272 29.275 10.153 176 HG21 ILE 26 HG21 ILE 26 19.689 29.174 11.256 177 HG22 ILE 26 HG22 ILE 26 19.999 27.512 10.719 178 HG23 ILE 26 HG23 ILE 26 19.910 27.845 12.430 179 HD11 ILE 26 HD11 ILE 26 22.467 27.078 9.242 180 HD12 ILE 26 HD12 ILE 26 20.965 27.897 8.735 181 HD13 ILE 26 HD13 ILE 26 22.528 28.404 8.073 182 H GLN 27 H GLN 27 20.639 31.009 14.138 183 HA GLN 27 HA GLN 27 20.843 29.643 16.617 184 HB2 GLN 27 HB2 GLN 27 20.162 31.996 16.328 185 HB3 GLN 27 HB3 GLN 27 18.645 31.474 15.581 186 HG2 GLN 27 HG2 GLN 27 17.982 30.344 17.709 187 HG3 GLN 27 HG3 GLN 27 19.501 30.869 18.442 188 HE21 GLN 27 HE21 GLN 27 18.374 34.246 18.901 189 HE22 GLN 27 HE22 GLN 27 19.841 33.331 18.585 190 H TYR 28 H TYR 28 18.566 29.171 13.962 191 HA TYR 28 HA TYR 28 16.721 27.477 15.360 192 HB2 TYR 28 HB2 TYR 28 17.007 27.666 12.358 193 HB3 TYR 28 HB3 TYR 28 15.546 27.413 13.310 194 HD1 TYR 28 HD1 TYR 28 17.478 29.804 11.520 195 HD2 TYR 28 HD2 TYR 28 14.921 29.414 14.978 196 HE1 TYR 28 HE1 TYR 28 17.236 32.275 11.618 197 HE2 TYR 28 HE2 TYR 28 14.658 31.894 15.047 198 HH TYR 28 HH TYR 28 16.526 34.045 12.912 199 H LYS 29 H LYS 29 19.589 26.532 15.279 200 HA LYS 29 HA LYS 29 19.170 23.722 14.456 201 HB2 LYS 29 HB2 LYS 29 20.134 24.785 12.488 202 HB3 LYS 29 HB3 LYS 29 21.398 25.539 13.454 203 HG2 LYS 29 HG2 LYS 29 22.407 23.364 13.932 204 HG3 LYS 29 HG3 LYS 29 21.047 22.516 13.180 205 HD2 LYS 29 HD2 LYS 29 23.025 22.548 11.715 206 HD3 LYS 29 HD3 LYS 29 21.651 23.379 10.993 207 HE2 LYS 29 HE2 LYS 29 23.645 24.616 10.517 208 HE3 LYS 29 HE3 LYS 29 22.646 25.578 11.601 209 HZ1 LYS 29 HZ1 LYS 29 24.934 23.919 12.498 210 HZ2 LYS 29 HZ2 LYS 29 25.048 25.516 12.125 211 HZ3 LYS 29 HZ3 LYS 29 24.128 25.039 13.409 212 H TYR 30 H TYR 30 20.149 22.298 15.741 213 HA TYR 30 HA TYR 30 20.999 23.037 18.323 214 HB2 TYR 30 HB2 TYR 30 19.860 20.930 17.582 215 HB3 TYR 30 HB3 TYR 30 21.383 20.387 16.903 216 HD1 TYR 30 HD1 TYR 30 22.684 18.961 18.254 217 HD2 TYR 30 HD2 TYR 30 19.941 21.701 20.144 218 HE1 TYR 30 HE1 TYR 30 23.164 17.932 20.459 219 HE2 TYR 30 HE2 TYR 30 20.426 20.671 22.350 220 HH TYR 30 HH TYR 30 21.836 19.204 23.500 221 H CYS 31 H CYS 31 22.940 22.324 19.436 222 HA CYS 31 HA CYS 31 25.340 23.556 18.369 223 HB2 CYS 31 HB2 CYS 31 26.155 22.947 20.658 224 HB3 CYS 31 HB3 CYS 31 24.632 23.793 20.685 225 H GLN 32 H GLN 32 27.468 22.523 18.538 226 HA GLN 32 HA GLN 32 27.500 19.561 18.018 227 HB2 GLN 32 HB2 GLN 32 29.375 19.812 16.540 228 HB3 GLN 32 HB3 GLN 32 28.019 20.723 15.908 229 HG2 GLN 32 HG2 GLN 32 28.989 22.813 16.387 230 HG3 GLN 32 HG3 GLN 32 30.092 22.163 17.585 231 HE21 GLN 32 HE21 GLN 32 31.702 22.837 14.120 232 HE22 GLN 32 HE22 GLN 32 30.464 23.742 14.980 233 H CYS 33 H CYS 33 29.638 18.536 18.652 234 HA CYS 33 HA CYS 33 30.881 20.015 20.938 235 HB2 CYS 33 HB2 CYS 33 30.668 17.110 21.248 236 HB3 CYS 33 HB3 CYS 33 30.549 18.412 22.442 237 H GLN 34 H GLN 34 32.835 19.189 21.775 238 HA GLN 34 HA GLN 34 34.732 18.119 19.713 239 HB2 GLN 34 HB2 GLN 34 35.132 20.575 21.474 240 HB3 GLN 34 HB3 GLN 34 36.327 19.852 20.385 241 HG2 GLN 34 HG2 GLN 34 34.761 20.279 18.458 242 HG3 GLN 34 HG3 GLN 34 33.726 21.189 19.571 243 HE21 GLN 34 HE21 GLN 34 37.106 23.320 19.608 244 HE22 GLN 34 HE22 GLN 34 36.852 21.936 20.661 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 14.860 15.505 16.475 2 H2 GLY 1 H2 GLY 1 14.549 17.075 16.854 3 H3 GLY 1 H3 GLY 1 14.112 15.869 17.889 4 HA2 GLY 1 HA2 GLY 1 16.424 15.308 18.285 5 HA3 GLY 1 HA3 GLY 1 16.877 16.638 17.196 6 H SER 2 H SER 2 17.791 16.511 19.848 7 HA SER 2 HA SER 2 16.227 18.216 21.600 8 HB2 SER 2 HB2 SER 2 19.172 17.470 21.601 9 HB3 SER 2 HB3 SER 2 18.402 18.434 22.856 10 HG SER 2 HG SER 2 17.062 16.740 23.362 11 H ALA 3 H ALA 3 16.585 20.314 22.253 12 HA ALA 3 HA ALA 3 16.960 22.132 20.025 13 HB1 ALA 3 HB1 ALA 3 16.107 22.631 22.914 14 HB2 ALA 3 HB2 ALA 3 15.958 23.766 21.561 15 HB3 ALA 3 HB3 ALA 3 15.030 22.258 21.550 16 H CYS 4 H CYS 4 18.394 23.661 19.716 17 HA CYS 4 HA CYS 4 20.980 23.783 20.800 18 HB2 CYS 4 HB2 CYS 4 20.396 24.493 18.579 19 HB3 CYS 4 HB3 CYS 4 19.242 25.666 19.202 20 H GLN 5 H GLN 5 21.716 24.544 22.671 21 HA GLN 5 HA GLN 5 20.396 26.839 24.072 22 HB2 GLN 5 HB2 GLN 5 22.171 24.674 25.246 23 HB3 GLN 5 HB3 GLN 5 21.368 25.963 26.128 24 HG2 GLN 5 HG2 GLN 5 20.016 23.639 24.698 25 HG3 GLN 5 HG3 GLN 5 20.266 23.782 26.427 26 HE21 GLN 5 HE21 GLN 5 16.729 24.698 25.640 27 HE22 GLN 5 HE22 GLN 5 17.749 23.285 25.369 28 H PHE 6 H PHE 6 21.819 28.399 25.104 29 HA PHE 6 HA PHE 6 23.960 29.291 23.513 30 HB2 PHE 6 HB2 PHE 6 22.597 30.638 25.120 31 HB3 PHE 6 HB3 PHE 6 23.428 29.891 26.455 32 HD1 PHE 6 HD1 PHE 6 25.021 31.271 27.456 33 HD2 PHE 6 HD2 PHE 6 24.455 31.574 23.198 34 HE1 PHE 6 HE1 PHE 6 26.860 32.922 27.336 35 HE2 PHE 6 HE2 PHE 6 26.265 33.274 23.099 36 HZ PHE 6 HZ PHE 6 27.483 33.933 25.151 37 H TRP 7 H TRP 7 24.250 27.846 26.754 38 HA TRP 7 HA TRP 7 26.883 26.641 25.930 39 HB2 TRP 7 HB2 TRP 7 28.077 27.338 27.768 40 HB3 TRP 7 HB3 TRP 7 27.264 28.786 27.233 41 HD1 TRP 7 HD1 TRP 7 25.656 29.941 28.930 42 HE1 TRP 7 HE1 TRP 7 25.024 29.603 31.373 43 HE3 TRP 7 HE3 TRP 7 27.842 25.359 29.704 44 HZ2 TRP 7 HZ2 TRP 7 25.476 27.654 33.441 45 HZ3 TRP 7 HZ3 TRP 7 27.696 24.286 31.938 46 HH2 TRP 7 HH2 TRP 7 26.528 25.422 33.809 47 H SER 8 H SER 8 23.941 26.266 27.718 48 HA SER 8 HA SER 8 24.620 24.050 29.342 49 HB2 SER 8 HB2 SER 8 22.563 25.359 29.497 50 HB3 SER 8 HB3 SER 8 21.991 24.733 27.983 51 HG SER 8 HG SER 8 21.217 23.719 29.985 52 H CYS 9 H CYS 9 24.368 24.059 25.838 53 HA CYS 9 HA CYS 9 23.921 21.211 25.476 54 HB2 CYS 9 HB2 CYS 9 24.887 23.493 23.784 55 HB3 CYS 9 HB3 CYS 9 25.326 21.854 23.302 56 H ASN 10 H ASN 10 26.866 23.127 26.241 57 HA ASN 10 HA ASN 10 28.781 21.075 25.928 58 HB2 ASN 10 HB2 ASN 10 28.580 23.247 28.065 59 HB3 ASN 10 HB3 ASN 10 29.973 22.203 27.845 60 HD21 ASN 10 HD21 ASN 10 29.754 25.451 25.612 61 HD22 ASN 10 HD22 ASN 10 28.588 25.116 26.895 62 H SER 11 H SER 11 26.551 21.561 28.775 63 HA SER 11 HA SER 11 27.543 19.388 30.317 64 HB2 SER 11 HB2 SER 11 24.651 20.289 30.183 65 HB3 SER 11 HB3 SER 11 25.478 19.518 31.542 66 HG SER 11 HG SER 11 26.797 21.407 31.690 67 H SER 12 H SER 12 25.099 19.449 27.709 68 HA SER 12 HA SER 12 24.371 16.672 27.863 69 HB2 SER 12 HB2 SER 12 24.365 18.506 25.417 70 HB3 SER 12 HB3 SER 12 23.483 16.969 25.603 71 HG SER 12 HG SER 12 22.261 18.906 25.969 72 H CYS 13 H CYS 13 26.745 18.395 25.738 73 HA CYS 13 HA CYS 13 27.711 16.099 24.423 74 HB2 CYS 13 HB2 CYS 13 29.134 18.702 25.122 75 HB3 CYS 13 HB3 CYS 13 29.720 17.509 23.963 76 H ILE 14 H ILE 14 28.931 17.631 27.448 77 HA ILE 14 HA ILE 14 31.080 15.870 27.994 78 HB ILE 14 HB ILE 14 29.184 17.466 29.751 79 HG12 ILE 14 HG12 ILE 14 32.162 17.883 29.181 80 HG13 ILE 14 HG13 ILE 14 30.916 18.574 28.175 81 HG21 ILE 14 HG21 ILE 14 30.008 15.596 31.145 82 HG22 ILE 14 HG22 ILE 14 31.684 15.970 30.683 83 HG23 ILE 14 HG23 ILE 14 30.727 17.115 31.638 84 HD11 ILE 14 HD11 ILE 14 31.574 20.277 29.704 85 HD12 ILE 14 HD12 ILE 14 29.955 19.749 30.192 86 HD13 ILE 14 HD13 ILE 14 31.387 19.211 31.104 87 H SER 15 H SER 15 27.593 15.539 28.729 88 HA SER 15 HA SER 15 27.920 12.944 29.949 89 HB2 SER 15 HB2 SER 15 25.372 14.250 28.920 90 HB3 SER 15 HB3 SER 15 25.497 12.882 30.044 91 HG SER 15 HG SER 15 26.141 15.604 30.432 92 H ARG 16 H ARG 16 27.199 13.891 26.544 93 HA ARG 16 HA ARG 16 26.923 11.166 25.608 94 HB2 ARG 16 HB2 ARG 16 27.936 13.642 24.195 95 HB3 ARG 16 HB3 ARG 16 27.477 12.130 23.405 96 HG2 ARG 16 HG2 ARG 16 25.725 14.278 24.594 97 HG3 ARG 16 HG3 ARG 16 25.804 13.670 22.984 98 HD2 ARG 16 HD2 ARG 16 23.870 12.653 23.649 99 HD3 ARG 16 HD3 ARG 16 25.006 11.390 24.111 100 HE ARG 16 HE ARG 16 24.012 13.548 25.974 101 HH11 ARG 16 HH11 ARG 16 24.674 10.057 25.641 102 HH12 ARG 16 HH12 ARG 16 24.248 9.807 27.316 103 HH21 ARG 16 HH21 ARG 16 23.197 13.057 27.797 104 HH22 ARG 16 HH22 ARG 16 23.326 11.454 28.513 105 H GLY 17 H GLY 17 29.636 12.811 26.837 106 HA2 GLY 17 HA2 GLY 17 31.538 11.445 27.483 107 HA3 GLY 17 HA3 GLY 17 31.495 10.648 25.919 108 H TYR 18 H TYR 18 31.020 13.940 25.387 109 HA TYR 18 HA TYR 18 33.711 14.261 24.228 110 HB2 TYR 18 HB2 TYR 18 31.274 16.054 24.216 111 HB3 TYR 18 HB3 TYR 18 32.660 16.271 23.209 112 HD1 TYR 18 HD1 TYR 18 29.390 15.031 23.280 113 HD2 TYR 18 HD2 TYR 18 33.293 14.101 21.681 114 HE1 TYR 18 HE1 TYR 18 28.323 13.730 21.451 115 HE2 TYR 18 HE2 TYR 18 32.211 12.743 19.886 116 HH TYR 18 HH TYR 18 30.140 11.695 19.268 117 H ARG 19 H ARG 19 34.349 16.811 24.346 118 HA ARG 19 HA ARG 19 34.573 17.586 27.243 119 HB2 ARG 19 HB2 ARG 19 36.073 18.484 24.757 120 HB3 ARG 19 HB3 ARG 19 36.228 19.291 26.300 121 HG2 ARG 19 HG2 ARG 19 36.711 16.321 26.098 122 HG3 ARG 19 HG3 ARG 19 37.950 17.458 25.559 123 HD2 ARG 19 HD2 ARG 19 38.472 16.823 27.811 124 HD3 ARG 19 HD3 ARG 19 37.989 18.513 27.775 125 HE ARG 19 HE ARG 19 36.309 18.057 29.251 126 HH11 ARG 19 HH11 ARG 19 37.064 14.937 27.755 127 HH12 ARG 19 HH12 ARG 19 35.976 14.097 28.823 128 HH21 ARG 19 HH21 ARG 19 35.036 16.924 30.559 129 HH22 ARG 19 HH22 ARG 19 35.015 15.160 30.492 130 H GLN 20 H GLN 20 33.689 19.039 24.082 131 HA GLN 20 HA GLN 20 31.718 20.801 25.466 132 HB2 GLN 20 HB2 GLN 20 34.110 21.781 23.847 133 HB3 GLN 20 HB3 GLN 20 32.705 22.755 24.182 134 HG2 GLN 20 HG2 GLN 20 33.135 22.429 26.650 135 HG3 GLN 20 HG3 GLN 20 34.708 21.717 26.216 136 HE21 GLN 20 HE21 GLN 20 34.635 25.626 26.516 137 HE22 GLN 20 HE22 GLN 20 33.792 24.433 27.519 138 H GLY 21 H GLY 21 30.221 21.776 24.089 139 HA2 GLY 21 HA2 GLY 21 30.414 21.393 21.187 140 HA3 GLY 21 HA3 GLY 21 28.955 20.752 21.943 141 H LYS 22 H LYS 22 29.769 23.164 20.141 142 HA LYS 22 HA LYS 22 27.990 25.119 21.516 143 HB2 LYS 22 HB2 LYS 22 30.633 25.776 20.187 144 HB3 LYS 22 HB3 LYS 22 29.376 26.947 20.560 145 HG2 LYS 22 HG2 LYS 22 30.598 27.206 22.456 146 HG3 LYS 22 HG3 LYS 22 29.485 25.974 23.008 147 HD2 LYS 22 HD2 LYS 22 31.648 25.376 23.818 148 HD3 LYS 22 HD3 LYS 22 31.325 24.249 22.499 149 HE2 LYS 22 HE2 LYS 22 32.602 25.765 20.961 150 HE3 LYS 22 HE3 LYS 22 32.999 26.793 22.345 151 HZ1 LYS 22 HZ1 LYS 22 33.774 23.941 22.040 152 HZ2 LYS 22 HZ2 LYS 22 34.755 25.221 21.786 153 HZ3 LYS 22 HZ3 LYS 22 34.233 24.902 23.307 154 H CYS 23 H CYS 23 26.391 25.837 20.381 155 HA CYS 23 HA CYS 23 25.722 24.558 17.878 156 HB2 CYS 23 HB2 CYS 23 24.179 24.835 19.744 157 HB3 CYS 23 HB3 CYS 23 24.376 26.576 19.701 158 H TRP 24 H TRP 24 26.792 27.865 18.649 159 HA TRP 24 HA TRP 24 25.530 29.194 16.556 160 HB2 TRP 24 HB2 TRP 24 26.940 31.046 17.065 161 HB3 TRP 24 HB3 TRP 24 26.554 30.222 18.558 162 HD1 TRP 24 HD1 TRP 24 28.555 29.354 19.994 163 HE1 TRP 24 HE1 TRP 24 31.115 29.412 19.813 164 HE3 TRP 24 HE3 TRP 24 29.000 31.121 15.196 165 HZ2 TRP 24 HZ2 TRP 24 33.087 30.065 17.833 166 HZ3 TRP 24 HZ3 TRP 24 31.252 31.369 14.171 167 HH2 TRP 24 HH2 TRP 24 33.284 30.821 15.466 168 H GLY 25 H GLY 25 28.455 27.274 16.154 169 HA2 GLY 25 HA2 GLY 25 29.519 28.762 13.919 170 HA3 GLY 25 HA3 GLY 25 30.048 27.184 14.496 171 H ILE 26 H ILE 26 27.189 26.149 14.062 172 HA ILE 26 HA ILE 26 27.443 25.584 11.172 173 HB ILE 26 HB ILE 26 27.482 23.658 12.499 174 HG12 ILE 26 HG12 ILE 26 24.653 23.476 11.488 175 HG13 ILE 26 HG13 ILE 26 25.934 23.842 10.332 176 HG21 ILE 26 HG21 ILE 26 25.549 22.941 13.946 177 HG22 ILE 26 HG22 ILE 26 26.441 24.322 14.577 178 HG23 ILE 26 HG23 ILE 26 24.877 24.570 13.777 179 HD11 ILE 26 HD11 ILE 26 25.994 21.413 12.154 180 HD12 ILE 26 HD12 ILE 26 25.494 21.427 10.446 181 HD13 ILE 26 HD13 ILE 26 27.158 21.836 10.887 182 H GLN 27 H GLN 27 25.784 25.911 9.701 183 HA GLN 27 HA GLN 27 24.513 28.376 9.978 184 HB2 GLN 27 HB2 GLN 27 25.322 27.274 7.912 185 HB3 GLN 27 HB3 GLN 27 23.934 26.177 7.952 186 HG2 GLN 27 HG2 GLN 27 22.397 27.990 7.502 187 HG3 GLN 27 HG3 GLN 27 23.633 29.201 7.863 188 HE21 GLN 27 HE21 GLN 27 24.304 29.467 4.428 189 HE22 GLN 27 HE22 GLN 27 23.801 30.292 5.891 190 H TYR 28 H TYR 28 23.173 25.347 10.972 191 HA TYR 28 HA TYR 28 20.537 26.627 11.538 192 HB2 TYR 28 HB2 TYR 28 19.586 24.264 11.182 193 HB3 TYR 28 HB3 TYR 28 19.936 25.276 9.792 194 HD1 TYR 28 HD1 TYR 28 21.274 24.499 8.027 195 HD2 TYR 28 HD2 TYR 28 21.425 22.464 11.826 196 HE1 TYR 28 HE1 TYR 28 22.603 22.668 7.003 197 HE2 TYR 28 HE2 TYR 28 22.737 20.627 10.791 198 HH TYR 28 HH TYR 28 24.018 20.036 8.819 199 H LYS 29 H LYS 29 19.454 25.853 13.362 200 HA LYS 29 HA LYS 29 21.173 25.837 15.624 201 HB2 LYS 29 HB2 LYS 29 18.180 25.389 15.307 202 HB3 LYS 29 HB3 LYS 29 18.963 25.483 16.875 203 HG2 LYS 29 HG2 LYS 29 19.811 27.724 16.412 204 HG3 LYS 29 HG3 LYS 29 19.072 27.700 14.800 205 HD2 LYS 29 HD2 LYS 29 17.505 27.457 17.415 206 HD3 LYS 29 HD3 LYS 29 17.781 28.963 16.551 207 HE2 LYS 29 HE2 LYS 29 16.677 28.027 14.533 208 HE3 LYS 29 HE3 LYS 29 16.326 26.532 15.425 209 HZ1 LYS 29 HZ1 LYS 29 15.333 29.218 16.201 210 HZ2 LYS 29 HZ2 LYS 29 14.449 28.099 15.385 211 HZ3 LYS 29 HZ3 LYS 29 14.957 27.816 16.938 212 H TYR 30 H TYR 30 22.568 24.029 15.519 213 HA TYR 30 HA TYR 30 21.487 21.620 16.873 214 HB2 TYR 30 HB2 TYR 30 21.344 20.858 14.680 215 HB3 TYR 30 HB3 TYR 30 22.757 21.762 14.155 216 HD1 TYR 30 HD1 TYR 30 21.910 18.910 16.511 217 HD2 TYR 30 HD2 TYR 30 24.707 20.644 13.737 218 HE1 TYR 30 HE1 TYR 30 23.334 16.874 16.671 219 HE2 TYR 30 HE2 TYR 30 26.112 18.583 13.865 220 HH TYR 30 HH TYR 30 25.270 15.837 15.973 221 H CYS 31 H CYS 31 22.706 21.017 18.527 222 HA CYS 31 HA CYS 31 25.326 22.244 18.995 223 HB2 CYS 31 HB2 CYS 31 23.611 20.325 20.594 224 HB3 CYS 31 HB3 CYS 31 25.146 20.979 21.144 225 H GLN 32 H GLN 32 26.754 21.434 17.472 226 HA GLN 32 HA GLN 32 27.430 18.545 17.457 227 HB2 GLN 32 HB2 GLN 32 29.139 19.164 15.834 228 HB3 GLN 32 HB3 GLN 32 27.544 19.671 15.339 229 HG2 GLN 32 HG2 GLN 32 28.028 22.002 16.001 230 HG3 GLN 32 HG3 GLN 32 29.645 21.514 16.547 231 HE21 GLN 32 HE21 GLN 32 30.116 22.963 13.186 232 HE22 GLN 32 HE22 GLN 32 29.647 23.522 14.792 233 H CYS 33 H CYS 33 29.367 17.672 18.359 234 HA CYS 33 HA CYS 33 30.775 19.480 20.300 235 HB2 CYS 33 HB2 CYS 33 30.369 16.640 20.991 236 HB3 CYS 33 HB3 CYS 33 30.508 18.042 22.019 237 H GLN 34 H GLN 34 32.788 18.674 21.221 238 HA GLN 34 HA GLN 34 34.207 16.453 20.033 239 HB2 GLN 34 HB2 GLN 34 36.156 17.648 19.249 240 HB3 GLN 34 HB3 GLN 34 34.734 18.199 18.406 241 HG2 GLN 34 HG2 GLN 34 34.769 20.129 20.257 242 HG3 GLN 34 HG3 GLN 34 36.469 19.658 20.382 243 HE21 GLN 34 HE21 GLN 34 36.258 22.485 17.955 244 HE22 GLN 34 HE22 GLN 34 36.059 22.232 19.681 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 18.430 17.969 24.208 2 H2 GLY 1 H2 GLY 1 17.516 17.229 23.062 3 H3 GLY 1 H3 GLY 1 16.954 18.585 23.825 4 HA2 GLY 1 HA2 GLY 1 18.816 19.857 22.862 5 HA3 GLY 1 HA3 GLY 1 19.191 18.399 21.927 6 H SER 2 H SER 2 17.666 21.320 21.822 7 HA SER 2 HA SER 2 16.131 20.627 19.371 8 HB2 SER 2 HB2 SER 2 14.657 20.405 21.380 9 HB3 SER 2 HB3 SER 2 14.912 22.125 21.717 10 HG SER 2 HG SER 2 13.725 22.655 20.021 11 H ALA 3 H ALA 3 17.781 23.089 21.314 12 HA ALA 3 HA ALA 3 18.408 24.598 18.888 13 HB1 ALA 3 HB1 ALA 3 17.545 26.744 19.797 14 HB2 ALA 3 HB2 ALA 3 16.234 25.592 19.511 15 HB3 ALA 3 HB3 ALA 3 16.819 25.869 21.166 16 H CYS 4 H CYS 4 20.010 26.409 19.415 17 HA CYS 4 HA CYS 4 22.098 25.588 21.149 18 HB2 CYS 4 HB2 CYS 4 21.464 28.280 19.911 19 HB3 CYS 4 HB3 CYS 4 22.911 27.977 20.859 20 H GLN 5 H GLN 5 22.974 26.516 23.022 21 HA GLN 5 HA GLN 5 21.044 27.653 25.016 22 HB2 GLN 5 HB2 GLN 5 22.838 25.218 25.370 23 HB3 GLN 5 HB3 GLN 5 21.872 25.960 26.643 24 HG2 GLN 5 HG2 GLN 5 19.802 25.338 25.531 25 HG3 GLN 5 HG3 GLN 5 20.677 24.747 24.119 26 HE21 GLN 5 HE21 GLN 5 20.290 22.250 27.266 27 HE22 GLN 5 HE22 GLN 5 19.502 23.837 27.266 28 H PHE 6 H PHE 6 22.172 28.500 27.024 29 HA PHE 6 HA PHE 6 24.445 30.134 26.323 30 HB2 PHE 6 HB2 PHE 6 23.329 29.471 29.063 31 HB3 PHE 6 HB3 PHE 6 24.456 30.768 28.692 32 HD1 PHE 6 HD1 PHE 6 23.396 32.098 26.322 33 HD2 PHE 6 HD2 PHE 6 21.284 30.438 29.702 34 HE1 PHE 6 HE1 PHE 6 21.523 33.681 25.936 35 HE2 PHE 6 HE2 PHE 6 19.402 32.008 29.288 36 HZ PHE 6 HZ PHE 6 19.535 33.646 27.423 37 H TRP 7 H TRP 7 24.272 27.348 28.574 38 HA TRP 7 HA TRP 7 27.038 26.534 27.790 39 HB2 TRP 7 HB2 TRP 7 27.674 26.320 30.175 40 HB3 TRP 7 HB3 TRP 7 27.431 27.981 29.670 41 HD1 TRP 7 HD1 TRP 7 25.627 29.390 30.874 42 HE1 TRP 7 HE1 TRP 7 24.110 29.049 32.919 43 HE3 TRP 7 HE3 TRP 7 26.251 24.340 31.516 44 HZ2 TRP 7 HZ2 TRP 7 23.472 26.919 34.753 45 HZ3 TRP 7 HZ3 TRP 7 25.216 23.198 33.450 46 HH2 TRP 7 HH2 TRP 7 23.861 24.470 35.104 47 H SER 8 H SER 8 23.847 25.621 28.802 48 HA SER 8 HA SER 8 24.503 23.010 29.704 49 HB2 SER 8 HB2 SER 8 22.451 24.258 30.240 50 HB3 SER 8 HB3 SER 8 21.880 24.003 28.588 51 HG SER 8 HG SER 8 22.378 22.075 30.627 52 H CYS 9 H CYS 9 24.750 24.080 26.420 53 HA CYS 9 HA CYS 9 24.275 21.545 25.092 54 HB2 CYS 9 HB2 CYS 9 26.224 23.822 24.552 55 HB3 CYS 9 HB3 CYS 9 26.169 22.383 23.566 56 H ASN 10 H ASN 10 26.997 22.897 26.976 57 HA ASN 10 HA ASN 10 28.893 20.831 26.457 58 HB2 ASN 10 HB2 ASN 10 28.629 22.623 28.912 59 HB3 ASN 10 HB3 ASN 10 30.075 21.736 28.397 60 HD21 ASN 10 HD21 ASN 10 30.367 25.306 27.322 61 HD22 ASN 10 HD22 ASN 10 29.901 24.584 28.867 62 H SER 11 H SER 11 26.335 21.083 28.959 63 HA SER 11 HA SER 11 26.964 18.772 30.459 64 HB2 SER 11 HB2 SER 11 24.167 19.810 29.869 65 HB3 SER 11 HB3 SER 11 24.733 18.953 31.314 66 HG SER 11 HG SER 11 24.531 21.226 31.570 67 H SER 12 H SER 12 24.867 19.126 27.567 68 HA SER 12 HA SER 12 24.152 16.350 27.324 69 HB2 SER 12 HB2 SER 12 22.912 18.107 26.145 70 HB3 SER 12 HB3 SER 12 24.358 18.535 25.210 71 HG SER 12 HG SER 12 22.597 16.436 24.925 72 H CYS 13 H CYS 13 26.806 18.285 25.839 73 HA CYS 13 HA CYS 13 27.957 16.179 24.354 74 HB2 CYS 13 HB2 CYS 13 29.264 18.628 25.634 75 HB3 CYS 13 HB3 CYS 13 30.009 17.652 24.398 76 H ILE 14 H ILE 14 28.696 17.164 27.760 77 HA ILE 14 HA ILE 14 30.638 15.159 28.291 78 HB ILE 14 HB ILE 14 28.657 16.629 30.048 79 HG12 ILE 14 HG12 ILE 14 31.698 16.840 29.883 80 HG13 ILE 14 HG13 ILE 14 30.649 17.793 28.858 81 HG21 ILE 14 HG21 ILE 14 29.118 14.516 31.215 82 HG22 ILE 14 HG22 ILE 14 30.864 14.718 30.945 83 HG23 ILE 14 HG23 ILE 14 29.980 15.823 32.014 84 HD11 ILE 14 HD11 ILE 14 31.293 19.152 30.723 85 HD12 ILE 14 HD12 ILE 14 29.561 18.796 30.867 86 HD13 ILE 14 HD13 ILE 14 30.742 17.943 31.892 87 H SER 15 H SER 15 27.040 14.922 28.472 88 HA SER 15 HA SER 15 27.019 12.207 29.352 89 HB2 SER 15 HB2 SER 15 25.012 13.607 29.448 90 HB3 SER 15 HB3 SER 15 24.979 13.725 27.686 91 HG SER 15 HG SER 15 24.430 11.539 29.362 92 H ARG 16 H ARG 16 27.237 13.507 26.005 93 HA ARG 16 HA ARG 16 27.285 10.875 24.758 94 HB2 ARG 16 HB2 ARG 16 28.191 13.572 23.728 95 HB3 ARG 16 HB3 ARG 16 28.011 12.112 22.758 96 HG2 ARG 16 HG2 ARG 16 25.794 13.712 24.085 97 HG3 ARG 16 HG3 ARG 16 26.150 13.556 22.388 98 HD2 ARG 16 HD2 ARG 16 24.336 12.124 22.622 99 HD3 ARG 16 HD3 ARG 16 25.698 10.998 22.719 100 HE ARG 16 HE ARG 16 24.508 12.173 25.202 101 HH11 ARG 16 HH11 ARG 16 24.673 9.226 23.234 102 HH12 ARG 16 HH12 ARG 16 24.225 8.244 24.615 103 HH21 ARG 16 HH21 ARG 16 24.105 10.755 26.896 104 HH22 ARG 16 HH22 ARG 16 23.910 9.051 26.524 105 H GLY 17 H GLY 17 29.646 12.258 26.694 106 HA2 GLY 17 HA2 GLY 17 31.684 11.202 27.232 107 HA3 GLY 17 HA3 GLY 17 31.708 10.367 25.682 108 H TYR 18 H TYR 18 31.081 13.803 25.887 109 HA TYR 18 HA TYR 18 33.773 14.503 24.778 110 HB2 TYR 18 HB2 TYR 18 31.107 15.841 24.254 111 HB3 TYR 18 HB3 TYR 18 32.620 16.225 23.476 112 HD1 TYR 18 HD1 TYR 18 33.668 13.529 22.757 113 HD2 TYR 18 HD2 TYR 18 29.636 15.049 22.583 114 HE1 TYR 18 HE1 TYR 18 33.135 11.921 20.947 115 HE2 TYR 18 HE2 TYR 18 29.127 13.469 20.727 116 HH TYR 18 HH TYR 18 30.030 11.884 19.240 117 H ARG 19 H ARG 19 33.450 17.347 25.007 118 HA ARG 19 HA ARG 19 33.329 17.747 28.000 119 HB2 ARG 19 HB2 ARG 19 35.406 18.882 26.092 120 HB3 ARG 19 HB3 ARG 19 35.314 19.129 27.825 121 HG2 ARG 19 HG2 ARG 19 35.662 16.653 28.149 122 HG3 ARG 19 HG3 ARG 19 35.891 16.482 26.406 123 HD2 ARG 19 HD2 ARG 19 37.605 18.108 28.313 124 HD3 ARG 19 HD3 ARG 19 38.051 16.607 27.510 125 HE ARG 19 HE ARG 19 37.861 17.809 25.326 126 HH11 ARG 19 HH11 ARG 19 38.267 19.951 28.143 127 HH12 ARG 19 HH12 ARG 19 39.075 21.147 27.176 128 HH21 ARG 19 HH21 ARG 19 39.035 19.300 24.255 129 HH22 ARG 19 HH22 ARG 19 39.681 20.686 25.076 130 H GLN 20 H GLN 20 33.247 19.388 24.864 131 HA GLN 20 HA GLN 20 31.445 21.481 25.968 132 HB2 GLN 20 HB2 GLN 20 33.835 22.125 26.375 133 HB3 GLN 20 HB3 GLN 20 34.126 22.038 24.641 134 HG2 GLN 20 HG2 GLN 20 32.417 23.868 24.318 135 HG3 GLN 20 HG3 GLN 20 32.239 23.943 26.077 136 HE21 GLN 20 HE21 GLN 20 34.540 26.665 25.505 137 HE22 GLN 20 HE22 GLN 20 32.827 26.265 25.605 138 H GLY 21 H GLY 21 29.972 22.176 24.538 139 HA2 GLY 21 HA2 GLY 21 30.467 21.961 21.611 140 HA3 GLY 21 HA3 GLY 21 28.912 21.436 22.293 141 H LYS 22 H LYS 22 29.580 23.470 20.262 142 HA LYS 22 HA LYS 22 28.697 26.028 21.579 143 HB2 LYS 22 HB2 LYS 22 31.075 25.579 19.744 144 HB3 LYS 22 HB3 LYS 22 30.448 27.177 20.140 145 HG2 LYS 22 HG2 LYS 22 31.033 26.978 22.448 146 HG3 LYS 22 HG3 LYS 22 31.383 25.258 22.316 147 HD2 LYS 22 HD2 LYS 22 33.011 27.422 20.927 148 HD3 LYS 22 HD3 LYS 22 33.420 26.647 22.470 149 HE2 LYS 22 HE2 LYS 22 33.307 24.403 21.272 150 HE3 LYS 22 HE3 LYS 22 33.168 25.280 19.753 151 HZ1 LYS 22 HZ1 LYS 22 35.438 24.679 20.167 152 HZ2 LYS 22 HZ2 LYS 22 35.368 26.296 20.252 153 HZ3 LYS 22 HZ3 LYS 22 35.474 25.422 21.633 154 H CYS 23 H CYS 23 27.637 27.518 20.319 155 HA CYS 23 HA CYS 23 26.169 26.520 18.017 156 HB2 CYS 23 HB2 CYS 23 25.430 28.083 19.988 157 HB3 CYS 23 HB3 CYS 23 26.123 29.363 19.002 158 H TRP 24 H TRP 24 29.053 26.723 17.545 159 HA TRP 24 HA TRP 24 29.586 29.035 15.834 160 HB2 TRP 24 HB2 TRP 24 31.759 28.283 15.768 161 HB3 TRP 24 HB3 TRP 24 31.260 27.751 17.358 162 HD1 TRP 24 HD1 TRP 24 30.780 25.015 17.568 163 HE1 TRP 24 HE1 TRP 24 31.803 23.031 16.327 164 HE3 TRP 24 HE3 TRP 24 32.679 27.498 13.498 165 HZ2 TRP 24 HZ2 TRP 24 33.262 22.568 13.890 166 HZ3 TRP 24 HZ3 TRP 24 33.889 26.249 11.731 167 HH2 TRP 24 HH2 TRP 24 34.198 23.785 11.917 168 H GLY 25 H GLY 25 30.352 28.776 13.552 169 HA2 GLY 25 HA2 GLY 25 30.062 28.057 11.379 170 HA3 GLY 25 HA3 GLY 25 30.163 26.452 12.090 171 H ILE 26 H ILE 26 28.724 25.410 10.818 172 HA ILE 26 HA ILE 26 26.322 26.361 9.734 173 HB ILE 26 HB ILE 26 26.928 23.490 10.539 174 HG12 ILE 26 HG12 ILE 26 28.801 24.235 9.227 175 HG13 ILE 26 HG13 ILE 26 27.827 23.119 8.301 176 HG21 ILE 26 HG21 ILE 26 25.022 24.631 8.458 177 HG22 ILE 26 HG22 ILE 26 25.480 22.919 8.573 178 HG23 ILE 26 HG23 ILE 26 24.612 23.679 9.905 179 HD11 ILE 26 HD11 ILE 26 27.841 26.154 7.964 180 HD12 ILE 26 HD12 ILE 26 28.619 24.959 6.911 181 HD13 ILE 26 HD13 ILE 26 26.852 25.016 7.014 182 H GLN 27 H GLN 27 24.406 26.921 10.578 183 HA GLN 27 HA GLN 27 23.548 26.217 13.238 184 HB2 GLN 27 HB2 GLN 27 22.935 28.317 11.990 185 HB3 GLN 27 HB3 GLN 27 21.887 27.333 10.968 186 HG2 GLN 27 HG2 GLN 27 20.730 26.567 13.161 187 HG3 GLN 27 HG3 GLN 27 21.694 27.793 13.978 188 HE21 GLN 27 HE21 GLN 27 18.693 29.685 13.477 189 HE22 GLN 27 HE22 GLN 27 19.730 28.859 14.655 190 H TYR 28 H TYR 28 23.890 23.925 13.099 191 HA TYR 28 HA TYR 28 22.049 22.163 11.716 192 HB2 TYR 28 HB2 TYR 28 23.668 21.785 14.263 193 HB3 TYR 28 HB3 TYR 28 22.848 20.501 13.392 194 HD1 TYR 28 HD1 TYR 28 23.491 20.644 10.644 195 HD2 TYR 28 HD2 TYR 28 25.991 21.679 14.005 196 HE1 TYR 28 HE1 TYR 28 25.524 20.023 9.344 197 HE2 TYR 28 HE2 TYR 28 27.997 20.996 12.716 198 HH TYR 28 HH TYR 28 28.832 20.316 10.607 199 H LYS 29 H LYS 29 20.479 20.763 12.886 200 HA LYS 29 HA LYS 29 18.378 22.209 14.081 201 HB2 LYS 29 HB2 LYS 29 18.249 20.076 12.787 202 HB3 LYS 29 HB3 LYS 29 19.029 19.246 14.120 203 HG2 LYS 29 HG2 LYS 29 16.789 18.668 14.207 204 HG3 LYS 29 HG3 LYS 29 17.032 19.744 15.562 205 HD2 LYS 29 HD2 LYS 29 15.886 20.619 12.872 206 HD3 LYS 29 HD3 LYS 29 14.911 19.958 14.160 207 HE2 LYS 29 HE2 LYS 29 16.421 22.596 14.240 208 HE3 LYS 29 HE3 LYS 29 14.681 22.340 14.140 209 HZ1 LYS 29 HZ1 LYS 29 16.436 21.834 16.458 210 HZ2 LYS 29 HZ2 LYS 29 15.099 22.767 16.389 211 HZ3 LYS 29 HZ3 LYS 29 14.956 21.126 16.359 212 H TYR 30 H TYR 30 21.114 20.730 15.665 213 HA TYR 30 HA TYR 30 20.510 22.176 18.093 214 HB2 TYR 30 HB2 TYR 30 19.281 20.096 18.559 215 HB3 TYR 30 HB3 TYR 30 20.696 19.136 18.156 216 HD1 TYR 30 HD1 TYR 30 20.074 22.137 20.379 217 HD2 TYR 30 HD2 TYR 30 21.566 18.097 20.081 218 HE1 TYR 30 HE1 TYR 30 20.852 22.241 22.737 219 HE2 TYR 30 HE2 TYR 30 22.293 18.199 22.458 220 HH TYR 30 HH TYR 30 21.899 21.191 24.412 221 H CYS 31 H CYS 31 22.436 22.320 19.497 222 HA CYS 31 HA CYS 31 24.760 22.859 18.012 223 HB2 CYS 31 HB2 CYS 31 25.782 23.237 20.272 224 HB3 CYS 31 HB3 CYS 31 24.250 24.069 20.002 225 H GLN 32 H GLN 32 26.617 21.813 17.541 226 HA GLN 32 HA GLN 32 26.992 18.974 18.382 227 HB2 GLN 32 HB2 GLN 32 28.277 20.658 16.206 228 HB3 GLN 32 HB3 GLN 32 28.853 19.053 16.684 229 HG2 GLN 32 HG2 GLN 32 26.508 18.169 16.212 230 HG3 GLN 32 HG3 GLN 32 26.146 19.721 15.467 231 HE21 GLN 32 HE21 GLN 32 27.186 17.535 12.679 232 HE22 GLN 32 HE22 GLN 32 25.807 17.685 13.759 233 H CYS 33 H CYS 33 29.234 18.284 18.898 234 HA CYS 33 HA CYS 33 30.470 20.191 20.813 235 HB2 CYS 33 HB2 CYS 33 30.757 17.239 21.087 236 HB3 CYS 33 HB3 CYS 33 30.797 18.532 22.317 237 H GLN 34 H GLN 34 32.797 19.339 21.472 238 HA GLN 34 HA GLN 34 34.996 19.338 20.923 239 HB2 GLN 34 HB2 GLN 34 34.153 17.490 18.671 240 HB3 GLN 34 HB3 GLN 34 35.787 17.674 19.305 241 HG2 GLN 34 HG2 GLN 34 35.131 16.769 21.473 242 HG3 GLN 34 HG3 GLN 34 33.434 16.705 20.991 243 HE21 GLN 34 HE21 GLN 34 33.886 13.843 18.795 244 HE22 GLN 34 HE22 GLN 34 33.050 15.372 18.820 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 18.796 37.021 19.090 2 H2 GLY 1 H2 GLY 1 17.741 37.039 20.357 3 H3 GLY 1 H3 GLY 1 17.989 38.405 19.485 4 HA2 GLY 1 HA2 GLY 1 15.888 37.487 18.872 5 HA3 GLY 1 HA3 GLY 1 17.034 37.393 17.524 6 H SER 2 H SER 2 15.507 35.522 20.153 7 HA SER 2 HA SER 2 15.524 33.288 20.664 8 HB2 SER 2 HB2 SER 2 15.179 32.941 17.667 9 HB3 SER 2 HB3 SER 2 14.854 31.720 18.909 10 HG SER 2 HG SER 2 13.493 34.112 18.339 11 H ALA 3 H ALA 3 18.059 34.141 20.837 12 HA ALA 3 HA ALA 3 19.981 32.778 19.228 13 HB1 ALA 3 HB1 ALA 3 21.548 33.495 20.994 14 HB2 ALA 3 HB2 ALA 3 20.427 34.806 20.595 15 HB3 ALA 3 HB3 ALA 3 20.182 33.852 22.070 16 H CYS 4 H CYS 4 21.437 31.037 19.853 17 HA CYS 4 HA CYS 4 20.023 28.732 20.733 18 HB2 CYS 4 HB2 CYS 4 21.997 28.858 19.150 19 HB3 CYS 4 HB3 CYS 4 23.038 28.958 20.578 20 H GLN 5 H GLN 5 20.838 27.174 22.428 21 HA GLN 5 HA GLN 5 20.313 28.032 25.025 22 HB2 GLN 5 HB2 GLN 5 22.016 25.674 24.135 23 HB3 GLN 5 HB3 GLN 5 21.326 25.869 25.744 24 HG2 GLN 5 HG2 GLN 5 19.091 25.571 24.964 25 HG3 GLN 5 HG3 GLN 5 19.541 25.810 23.280 26 HE21 GLN 5 HE21 GLN 5 20.122 22.383 22.738 27 HE22 GLN 5 HE22 GLN 5 19.732 23.958 22.058 28 H PHE 6 H PHE 6 21.515 28.546 26.864 29 HA PHE 6 HA PHE 6 23.896 30.116 26.388 30 HB2 PHE 6 HB2 PHE 6 22.535 29.203 28.948 31 HB3 PHE 6 HB3 PHE 6 23.868 30.346 28.888 32 HD1 PHE 6 HD1 PHE 6 23.439 32.327 26.996 33 HD2 PHE 6 HD2 PHE 6 20.433 30.240 29.287 34 HE1 PHE 6 HE1 PHE 6 21.887 34.236 26.703 35 HE2 PHE 6 HE2 PHE 6 18.892 32.162 28.999 36 HZ PHE 6 HZ PHE 6 19.608 34.160 27.705 37 H TRP 7 H TRP 7 23.390 27.120 28.289 38 HA TRP 7 HA TRP 7 26.229 26.318 27.817 39 HB2 TRP 7 HB2 TRP 7 26.655 26.052 30.153 40 HB3 TRP 7 HB3 TRP 7 26.115 27.699 29.893 41 HD1 TRP 7 HD1 TRP 7 23.940 28.469 31.134 42 HE1 TRP 7 HE1 TRP 7 22.528 27.484 33.048 43 HE3 TRP 7 HE3 TRP 7 25.712 23.651 31.077 44 HZ2 TRP 7 HZ2 TRP 7 22.195 24.961 34.354 45 HZ3 TRP 7 HZ3 TRP 7 24.863 21.999 32.730 46 HH2 TRP 7 HH2 TRP 7 23.104 22.636 34.362 47 H SER 8 H SER 8 22.925 25.332 28.290 48 HA SER 8 HA SER 8 23.379 22.758 29.350 49 HB2 SER 8 HB2 SER 8 21.184 23.930 29.194 50 HB3 SER 8 HB3 SER 8 21.142 23.556 27.463 51 HG SER 8 HG SER 8 21.263 21.764 29.675 52 H CYS 9 H CYS 9 23.753 23.812 26.007 53 HA CYS 9 HA CYS 9 24.016 21.293 24.726 54 HB2 CYS 9 HB2 CYS 9 25.063 24.081 24.299 55 HB3 CYS 9 HB3 CYS 9 25.849 22.783 23.424 56 H ASN 10 H ASN 10 26.389 23.037 26.795 57 HA ASN 10 HA ASN 10 28.587 21.268 26.123 58 HB2 ASN 10 HB2 ASN 10 28.798 23.599 27.069 59 HB3 ASN 10 HB3 ASN 10 28.193 22.983 28.609 60 HD21 ASN 10 HD21 ASN 10 31.576 22.499 29.445 61 HD22 ASN 10 HD22 ASN 10 30.034 23.237 29.858 62 H SER 11 H SER 11 26.151 21.322 28.734 63 HA SER 11 HA SER 11 27.015 18.994 30.164 64 HB2 SER 11 HB2 SER 11 25.463 20.543 31.133 65 HB3 SER 11 HB3 SER 11 24.292 20.302 29.828 66 HG SER 11 HG SER 11 23.729 18.412 30.581 67 H SER 12 H SER 12 24.575 19.310 27.525 68 HA SER 12 HA SER 12 23.993 16.573 27.184 69 HB2 SER 12 HB2 SER 12 22.715 18.279 26.032 70 HB3 SER 12 HB3 SER 12 24.143 18.818 25.132 71 HG SER 12 HG SER 12 22.841 16.292 24.978 72 H CYS 13 H CYS 13 26.520 18.479 25.437 73 HA CYS 13 HA CYS 13 27.550 16.289 23.984 74 HB2 CYS 13 HB2 CYS 13 28.821 18.875 24.965 75 HB3 CYS 13 HB3 CYS 13 29.622 17.791 23.864 76 H ILE 14 H ILE 14 28.682 17.574 27.193 77 HA ILE 14 HA ILE 14 30.820 15.711 27.522 78 HB ILE 14 HB ILE 14 29.117 17.298 29.465 79 HG12 ILE 14 HG12 ILE 14 32.060 17.562 28.681 80 HG13 ILE 14 HG13 ILE 14 30.783 18.407 27.831 81 HG21 ILE 14 HG21 ILE 14 30.793 16.735 31.230 82 HG22 ILE 14 HG22 ILE 14 29.882 15.328 30.720 83 HG23 ILE 14 HG23 ILE 14 31.542 15.567 30.124 84 HD11 ILE 14 HD11 ILE 14 31.776 19.916 29.416 85 HD12 ILE 14 HD12 ILE 14 30.111 19.566 29.917 86 HD13 ILE 14 HD13 ILE 14 31.482 18.809 30.763 87 H SER 15 H SER 15 27.324 15.407 28.386 88 HA SER 15 HA SER 15 27.617 12.791 29.482 89 HB2 SER 15 HB2 SER 15 25.661 14.283 29.848 90 HB3 SER 15 HB3 SER 15 25.147 13.998 28.176 91 HG SER 15 HG SER 15 24.199 12.647 29.867 92 H ARG 16 H ARG 16 26.908 13.796 26.103 93 HA ARG 16 HA ARG 16 26.875 11.105 25.018 94 HB2 ARG 16 HB2 ARG 16 27.614 13.752 23.713 95 HB3 ARG 16 HB3 ARG 16 27.299 12.256 22.856 96 HG2 ARG 16 HG2 ARG 16 25.294 13.980 24.339 97 HG3 ARG 16 HG3 ARG 16 25.443 13.702 22.628 98 HD2 ARG 16 HD2 ARG 16 23.641 12.372 23.169 99 HD3 ARG 16 HD3 ARG 16 24.958 11.207 23.188 100 HE ARG 16 HE ARG 16 24.120 12.570 25.725 101 HH11 ARG 16 HH11 ARG 16 24.179 9.469 23.953 102 HH12 ARG 16 HH12 ARG 16 23.551 8.647 25.369 103 HH21 ARG 16 HH21 ARG 16 23.299 11.338 27.348 104 HH22 ARG 16 HH22 ARG 16 23.115 9.583 27.133 105 H GLY 17 H GLY 17 29.483 12.711 26.452 106 HA2 GLY 17 HA2 GLY 17 31.446 11.473 26.941 107 HA3 GLY 17 HA3 GLY 17 31.379 10.688 25.364 108 H TYR 18 H TYR 18 30.876 14.055 25.091 109 HA TYR 18 HA TYR 18 33.438 14.353 23.691 110 HB2 TYR 18 HB2 TYR 18 31.066 16.189 24.089 111 HB3 TYR 18 HB3 TYR 18 32.473 16.650 23.189 112 HD1 TYR 18 HD1 TYR 18 29.307 14.899 23.002 113 HD2 TYR 18 HD2 TYR 18 33.118 15.399 21.075 114 HE1 TYR 18 HE1 TYR 18 28.361 13.987 20.899 115 HE2 TYR 18 HE2 TYR 18 32.167 14.505 18.961 116 HH TYR 18 HH TYR 18 30.328 13.477 17.969 117 H ARG 19 H ARG 19 34.571 16.469 23.980 118 HA ARG 19 HA ARG 19 35.525 16.717 26.786 119 HB2 ARG 19 HB2 ARG 19 36.995 16.382 24.685 120 HB3 ARG 19 HB3 ARG 19 36.645 18.052 24.273 121 HG2 ARG 19 HG2 ARG 19 37.598 18.777 26.438 122 HG3 ARG 19 HG3 ARG 19 37.926 17.108 26.913 123 HD2 ARG 19 HD2 ARG 19 39.121 18.494 24.462 124 HD3 ARG 19 HD3 ARG 19 39.907 18.381 26.029 125 HE ARG 19 HE ARG 19 39.196 15.737 25.285 126 HH11 ARG 19 HH11 ARG 19 41.509 18.181 24.207 127 HH12 ARG 19 HH12 ARG 19 42.676 16.937 23.785 128 HH21 ARG 19 HH21 ARG 19 40.736 14.316 24.765 129 HH22 ARG 19 HH22 ARG 19 42.335 14.894 24.280 130 H GLN 20 H GLN 20 34.262 18.730 24.140 131 HA GLN 20 HA GLN 20 32.967 20.503 26.133 132 HB2 GLN 20 HB2 GLN 20 35.324 21.348 25.921 133 HB3 GLN 20 HB3 GLN 20 35.003 21.683 24.212 134 HG2 GLN 20 HG2 GLN 20 33.261 23.327 24.839 135 HG3 GLN 20 HG3 GLN 20 33.433 22.872 26.537 136 HE21 GLN 20 HE21 GLN 20 35.586 25.706 26.730 137 HE22 GLN 20 HE22 GLN 20 34.022 25.061 27.177 138 H GLY 21 H GLY 21 31.001 20.976 25.467 139 HA2 GLY 21 HA2 GLY 21 30.284 21.176 22.591 140 HA3 GLY 21 HA3 GLY 21 29.187 20.986 23.933 141 H LYS 22 H LYS 22 29.418 22.914 21.657 142 HA LYS 22 HA LYS 22 28.846 25.420 23.142 143 HB2 LYS 22 HB2 LYS 22 30.688 25.124 20.756 144 HB3 LYS 22 HB3 LYS 22 30.089 26.668 21.381 145 HG2 LYS 22 HG2 LYS 22 31.114 26.028 23.642 146 HG3 LYS 22 HG3 LYS 22 31.940 24.706 22.807 147 HD2 LYS 22 HD2 LYS 22 32.195 27.674 22.225 148 HD3 LYS 22 HD3 LYS 22 33.393 26.666 23.047 149 HE2 LYS 22 HE2 LYS 22 33.822 25.383 21.046 150 HE3 LYS 22 HE3 LYS 22 32.438 26.106 20.210 151 HZ1 LYS 22 HZ1 LYS 22 33.516 28.207 20.216 152 HZ2 LYS 22 HZ2 LYS 22 34.799 27.667 21.100 153 HZ3 LYS 22 HZ3 LYS 22 34.571 27.126 19.559 154 H CYS 23 H CYS 23 27.608 26.990 21.914 155 HA CYS 23 HA CYS 23 26.595 26.290 19.299 156 HB2 CYS 23 HB2 CYS 23 25.110 24.904 20.767 157 HB3 CYS 23 HB3 CYS 23 24.559 26.376 21.547 158 H TRP 24 H TRP 24 25.998 28.057 18.176 159 HA TRP 24 HA TRP 24 25.356 30.664 19.456 160 HB2 TRP 24 HB2 TRP 24 27.324 31.734 18.380 161 HB3 TRP 24 HB3 TRP 24 27.757 30.591 19.635 162 HD1 TRP 24 HD1 TRP 24 29.097 28.445 18.963 163 HE1 TRP 24 HE1 TRP 24 30.258 27.615 16.826 164 HE3 TRP 24 HE3 TRP 24 27.298 31.926 15.654 165 HZ2 TRP 24 HZ2 TRP 24 30.459 28.415 14.071 166 HZ3 TRP 24 HZ3 TRP 24 27.989 31.853 13.273 167 HH2 TRP 24 HH2 TRP 24 29.565 30.115 12.470 168 H GLY 25 H GLY 25 25.339 28.603 16.637 169 HA2 GLY 25 HA2 GLY 25 25.083 30.549 14.608 170 HA3 GLY 25 HA3 GLY 25 24.650 28.854 14.487 171 H ILE 26 H ILE 26 23.262 30.634 13.058 172 HA ILE 26 HA ILE 26 20.696 31.282 14.395 173 HB ILE 26 HB ILE 26 21.765 33.023 13.083 174 HG12 ILE 26 HG12 ILE 26 19.267 32.131 11.591 175 HG13 ILE 26 HG13 ILE 26 19.229 32.724 13.250 176 HG21 ILE 26 HG21 ILE 26 21.382 31.238 10.630 177 HG22 ILE 26 HG22 ILE 26 21.949 32.915 10.627 178 HG23 ILE 26 HG23 ILE 26 22.942 31.673 11.366 179 HD11 ILE 26 HD11 ILE 26 18.683 34.546 11.763 180 HD12 ILE 26 HD12 ILE 26 20.258 34.873 12.513 181 HD13 ILE 26 HD13 ILE 26 20.165 34.307 10.828 182 H GLN 27 H GLN 27 22.038 28.875 12.182 183 HA GLN 27 HA GLN 27 19.490 27.815 11.293 184 HB2 GLN 27 HB2 GLN 27 21.618 27.290 10.168 185 HB3 GLN 27 HB3 GLN 27 22.195 26.465 11.615 186 HG2 GLN 27 HG2 GLN 27 21.415 24.844 9.955 187 HG3 GLN 27 HG3 GLN 27 20.417 24.755 11.391 188 HE21 GLN 27 HE21 GLN 27 18.757 26.333 7.934 189 HE22 GLN 27 HE22 GLN 27 20.517 26.263 8.112 190 H TYR 28 H TYR 28 18.128 26.303 12.249 191 HA TYR 28 HA TYR 28 18.494 25.747 15.118 192 HB2 TYR 28 HB2 TYR 28 16.372 26.551 14.219 193 HB3 TYR 28 HB3 TYR 28 16.243 25.140 13.183 194 HD1 TYR 28 HD1 TYR 28 15.227 23.156 14.002 195 HD2 TYR 28 HD2 TYR 28 16.470 26.214 16.772 196 HE1 TYR 28 HE1 TYR 28 14.024 21.981 15.841 197 HE2 TYR 28 HE2 TYR 28 15.314 25.012 18.618 198 HH TYR 28 HH TYR 28 13.402 22.035 18.048 199 H LYS 29 H LYS 29 20.028 24.211 15.477 200 HA LYS 29 HA LYS 29 19.559 21.440 14.672 201 HB2 LYS 29 HB2 LYS 29 21.647 21.079 13.479 202 HB3 LYS 29 HB3 LYS 29 20.677 22.277 12.628 203 HG2 LYS 29 HG2 LYS 29 22.049 24.097 13.621 204 HG3 LYS 29 HG3 LYS 29 23.024 22.892 14.469 205 HD2 LYS 29 HD2 LYS 29 22.868 23.188 11.449 206 HD3 LYS 29 HD3 LYS 29 24.152 23.793 12.509 207 HE2 LYS 29 HE2 LYS 29 24.326 21.307 13.327 208 HE3 LYS 29 HE3 LYS 29 23.447 20.921 11.847 209 HZ1 LYS 29 HZ1 LYS 29 25.823 20.829 11.434 210 HZ2 LYS 29 HZ2 LYS 29 25.276 22.165 10.647 211 HZ3 LYS 29 HZ3 LYS 29 26.076 22.293 12.062 212 H TYR 30 H TYR 30 20.967 19.919 15.704 213 HA TYR 30 HA TYR 30 21.387 20.447 18.411 214 HB2 TYR 30 HB2 TYR 30 21.036 18.218 17.499 215 HB3 TYR 30 HB3 TYR 30 22.580 18.270 16.666 216 HD1 TYR 30 HD1 TYR 30 24.586 17.580 17.773 217 HD2 TYR 30 HD2 TYR 30 21.028 18.337 20.091 218 HE1 TYR 30 HE1 TYR 30 25.709 16.662 19.795 219 HE2 TYR 30 HE2 TYR 30 22.155 17.401 22.111 220 HH TYR 30 HH TYR 30 24.156 16.676 22.997 221 H CYS 31 H CYS 31 23.201 20.396 19.726 222 HA CYS 31 HA CYS 31 24.957 22.476 19.511 223 HB2 CYS 31 HB2 CYS 31 25.391 19.905 21.052 224 HB3 CYS 31 HB3 CYS 31 25.957 21.500 21.508 225 H GLN 32 H GLN 32 27.156 22.786 19.139 226 HA GLN 32 HA GLN 32 28.590 20.822 17.433 227 HB2 GLN 32 HB2 GLN 32 29.033 23.733 18.160 228 HB3 GLN 32 HB3 GLN 32 30.268 22.757 17.366 229 HG2 GLN 32 HG2 GLN 32 28.959 24.097 15.743 230 HG3 GLN 32 HG3 GLN 32 28.890 22.357 15.455 231 HE21 GLN 32 HE21 GLN 32 25.396 22.187 15.718 232 HE22 GLN 32 HE22 GLN 32 26.883 21.603 14.962 233 H CYS 33 H CYS 33 29.668 19.301 18.538 234 HA CYS 33 HA CYS 33 31.083 20.127 21.046 235 HB2 CYS 33 HB2 CYS 33 30.667 17.266 20.635 236 HB3 CYS 33 HB3 CYS 33 30.655 18.250 22.111 237 H GLN 34 H GLN 34 33.058 19.357 21.548 238 HA GLN 34 HA GLN 34 34.727 18.138 19.370 239 HB2 GLN 34 HB2 GLN 34 35.501 20.096 21.571 240 HB3 GLN 34 HB3 GLN 34 36.627 19.321 20.450 241 HG2 GLN 34 HG2 GLN 34 35.717 20.493 18.561 242 HG3 GLN 34 HG3 GLN 34 34.372 21.138 19.500 243 HE21 GLN 34 HE21 GLN 34 37.879 23.147 19.493 244 HE22 GLN 34 HE22 GLN 34 37.515 21.801 18.413 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 13.673 24.373 15.937 2 H2 GLY 1 H2 GLY 1 15.072 24.422 16.786 3 H3 GLY 1 H3 GLY 1 14.251 25.822 16.469 4 HA2 GLY 1 HA2 GLY 1 12.383 25.058 17.792 5 HA3 GLY 1 HA3 GLY 1 13.339 23.617 18.198 6 H SER 2 H SER 2 15.206 23.861 19.493 7 HA SER 2 HA SER 2 16.020 26.436 20.638 8 HB2 SER 2 HB2 SER 2 15.503 25.702 23.003 9 HB3 SER 2 HB3 SER 2 14.101 26.132 22.026 10 HG SER 2 HG SER 2 13.460 24.099 21.931 11 H ALA 3 H ALA 3 16.973 23.582 19.453 12 HA ALA 3 HA ALA 3 18.581 22.442 21.504 13 HB1 ALA 3 HB1 ALA 3 18.507 21.961 18.499 14 HB2 ALA 3 HB2 ALA 3 19.240 20.883 19.704 15 HB3 ALA 3 HB3 ALA 3 17.499 21.159 19.728 16 H CYS 4 H CYS 4 19.409 25.320 20.391 17 HA CYS 4 HA CYS 4 22.329 24.692 20.281 18 HB2 CYS 4 HB2 CYS 4 21.158 25.573 18.179 19 HB3 CYS 4 HB3 CYS 4 21.122 27.127 18.991 20 H GLN 5 H GLN 5 21.711 24.620 22.677 21 HA GLN 5 HA GLN 5 21.088 27.020 24.095 22 HB2 GLN 5 HB2 GLN 5 22.542 24.561 25.150 23 HB3 GLN 5 HB3 GLN 5 21.757 25.816 26.078 24 HG2 GLN 5 HG2 GLN 5 20.168 24.170 26.167 25 HG3 GLN 5 HG3 GLN 5 19.575 25.158 24.842 26 HE21 GLN 5 HE21 GLN 5 19.215 21.746 23.595 27 HE22 GLN 5 HE22 GLN 5 18.391 22.889 24.674 28 H PHE 6 H PHE 6 22.379 28.382 25.412 29 HA PHE 6 HA PHE 6 24.910 29.174 24.337 30 HB2 PHE 6 HB2 PHE 6 23.603 29.736 27.025 31 HB3 PHE 6 HB3 PHE 6 24.987 30.617 26.385 32 HD1 PHE 6 HD1 PHE 6 24.080 30.974 23.462 33 HD2 PHE 6 HD2 PHE 6 22.031 31.505 27.229 34 HE1 PHE 6 HE1 PHE 6 22.587 32.635 22.422 35 HE2 PHE 6 HE2 PHE 6 20.579 33.216 26.177 36 HZ PHE 6 HZ PHE 6 20.843 33.788 23.779 37 H TRP 7 H TRP 7 24.172 27.408 27.357 38 HA TRP 7 HA TRP 7 26.907 26.206 27.356 39 HB2 TRP 7 HB2 TRP 7 27.169 26.822 29.750 40 HB3 TRP 7 HB3 TRP 7 27.246 28.170 28.639 41 HD1 TRP 7 HD1 TRP 7 25.617 30.129 28.977 42 HE1 TRP 7 HE1 TRP 7 23.721 30.710 30.617 43 HE3 TRP 7 HE3 TRP 7 25.241 25.616 31.386 44 HZ2 TRP 7 HZ2 TRP 7 22.217 29.359 32.674 45 HZ3 TRP 7 HZ3 TRP 7 23.575 25.305 33.196 46 HH2 TRP 7 HH2 TRP 7 22.055 27.156 33.847 47 H SER 8 H SER 8 23.523 25.992 28.305 48 HA SER 8 HA SER 8 23.632 23.664 29.933 49 HB2 SER 8 HB2 SER 8 21.575 24.746 29.856 50 HB3 SER 8 HB3 SER 8 21.576 24.872 28.100 51 HG SER 8 HG SER 8 21.065 22.531 29.639 52 H CYS 9 H CYS 9 24.286 23.906 26.530 53 HA CYS 9 HA CYS 9 23.766 21.154 25.786 54 HB2 CYS 9 HB2 CYS 9 23.772 22.862 24.106 55 HB3 CYS 9 HB3 CYS 9 25.361 23.421 24.577 56 H ASN 10 H ASN 10 26.603 22.814 27.254 57 HA ASN 10 HA ASN 10 28.517 20.809 26.733 58 HB2 ASN 10 HB2 ASN 10 28.229 22.639 29.153 59 HB3 ASN 10 HB3 ASN 10 29.680 21.679 28.759 60 HD21 ASN 10 HD21 ASN 10 29.828 25.213 27.316 61 HD22 ASN 10 HD22 ASN 10 29.277 24.691 28.923 62 H SER 11 H SER 11 26.078 20.857 29.341 63 HA SER 11 HA SER 11 27.043 18.560 30.770 64 HB2 SER 11 HB2 SER 11 25.431 20.269 31.600 65 HB3 SER 11 HB3 SER 11 24.194 19.602 30.535 66 HG SER 11 HG SER 11 24.291 18.889 32.793 67 H SER 12 H SER 12 24.797 18.861 28.028 68 HA SER 12 HA SER 12 24.149 16.067 27.718 69 HB2 SER 12 HB2 SER 12 22.806 17.889 26.727 70 HB3 SER 12 HB3 SER 12 24.168 18.350 25.693 71 HG SER 12 HG SER 12 22.647 15.982 25.701 72 H CYS 13 H CYS 13 26.582 18.194 26.122 73 HA CYS 13 HA CYS 13 27.744 16.243 24.474 74 HB2 CYS 13 HB2 CYS 13 29.049 18.628 25.862 75 HB3 CYS 13 HB3 CYS 13 29.743 17.763 24.516 76 H ILE 14 H ILE 14 28.734 17.138 27.844 77 HA ILE 14 HA ILE 14 30.884 15.272 28.043 78 HB ILE 14 HB ILE 14 29.090 16.583 30.107 79 HG12 ILE 14 HG12 ILE 14 32.031 17.113 29.470 80 HG13 ILE 14 HG13 ILE 14 30.742 17.940 28.620 81 HG21 ILE 14 HG21 ILE 14 30.795 15.925 31.817 82 HG22 ILE 14 HG22 ILE 14 29.965 14.532 31.149 83 HG23 ILE 14 HG23 ILE 14 31.609 14.923 30.599 84 HD11 ILE 14 HD11 ILE 14 31.258 18.121 31.607 85 HD12 ILE 14 HD12 ILE 14 31.506 19.372 30.382 86 HD13 ILE 14 HD13 ILE 14 29.862 18.839 30.768 87 H SER 15 H SER 15 27.365 14.805 28.498 88 HA SER 15 HA SER 15 27.647 12.126 29.492 89 HB2 SER 15 HB2 SER 15 25.548 13.440 29.790 90 HB3 SER 15 HB3 SER 15 25.295 13.420 28.047 91 HG SER 15 HG SER 15 25.110 11.261 29.873 92 H ARG 16 H ARG 16 27.385 13.396 26.169 93 HA ARG 16 HA ARG 16 27.488 10.769 24.908 94 HB2 ARG 16 HB2 ARG 16 28.177 13.518 23.862 95 HB3 ARG 16 HB3 ARG 16 27.954 12.087 22.856 96 HG2 ARG 16 HG2 ARG 16 25.851 13.671 24.377 97 HG3 ARG 16 HG3 ARG 16 26.074 13.521 22.654 98 HD2 ARG 16 HD2 ARG 16 24.270 12.116 23.059 99 HD3 ARG 16 HD3 ARG 16 25.627 10.984 22.981 100 HE ARG 16 HE ARG 16 24.528 12.120 25.549 101 HH11 ARG 16 HH11 ARG 16 25.445 9.178 23.792 102 HH12 ARG 16 HH12 ARG 16 25.081 8.187 25.172 103 HH21 ARG 16 HH21 ARG 16 24.398 10.782 27.296 104 HH22 ARG 16 HH22 ARG 16 24.438 9.054 27.059 105 H GLY 17 H GLY 17 29.918 12.337 26.636 106 HA2 GLY 17 HA2 GLY 17 32.074 11.454 26.968 107 HA3 GLY 17 HA3 GLY 17 32.014 10.611 25.423 108 H TYR 18 H TYR 18 31.110 13.974 25.365 109 HA TYR 18 HA TYR 18 33.664 14.725 23.999 110 HB2 TYR 18 HB2 TYR 18 31.074 16.226 24.312 111 HB3 TYR 18 HB3 TYR 18 32.423 16.757 23.350 112 HD1 TYR 18 HD1 TYR 18 33.115 15.203 21.308 113 HD2 TYR 18 HD2 TYR 18 29.287 15.209 23.241 114 HE1 TYR 18 HE1 TYR 18 32.068 14.269 19.244 115 HE2 TYR 18 HE2 TYR 18 28.229 14.289 21.186 116 HH TYR 18 HH TYR 18 28.525 13.690 19.031 117 H ARG 19 H ARG 19 34.089 17.281 24.598 118 HA ARG 19 HA ARG 19 34.253 17.518 27.606 119 HB2 ARG 19 HB2 ARG 19 35.991 18.749 25.424 120 HB3 ARG 19 HB3 ARG 19 35.964 19.307 27.083 121 HG2 ARG 19 HG2 ARG 19 37.854 17.934 26.827 122 HG3 ARG 19 HG3 ARG 19 36.723 17.156 27.928 123 HD2 ARG 19 HD2 ARG 19 37.817 15.565 26.375 124 HD3 ARG 19 HD3 ARG 19 36.062 15.557 26.253 125 HE ARG 19 HE ARG 19 36.214 16.342 24.057 126 HH11 ARG 19 HH11 ARG 19 39.470 16.882 25.414 127 HH12 ARG 19 HH12 ARG 19 40.009 17.374 23.806 128 HH21 ARG 19 HH21 ARG 19 37.038 16.872 22.253 129 HH22 ARG 19 HH22 ARG 19 38.738 17.343 22.100 130 H GLN 20 H GLN 20 33.543 19.434 24.659 131 HA GLN 20 HA GLN 20 31.446 20.903 26.139 132 HB2 GLN 20 HB2 GLN 20 33.900 22.291 24.987 133 HB3 GLN 20 HB3 GLN 20 32.357 23.096 25.187 134 HG2 GLN 20 HG2 GLN 20 32.513 22.354 27.685 135 HG3 GLN 20 HG3 GLN 20 34.230 22.124 27.337 136 HE21 GLN 20 HE21 GLN 20 34.725 25.599 27.916 137 HE22 GLN 20 HE22 GLN 20 35.359 23.966 28.050 138 H GLY 21 H GLY 21 29.978 21.950 24.880 139 HA2 GLY 21 HA2 GLY 21 30.159 21.700 21.906 140 HA3 GLY 21 HA3 GLY 21 28.627 21.596 22.759 141 H LYS 22 H LYS 22 29.118 23.388 20.690 142 HA LYS 22 HA LYS 22 29.049 26.037 22.063 143 HB2 LYS 22 HB2 LYS 22 30.801 25.415 19.675 144 HB3 LYS 22 HB3 LYS 22 30.519 27.012 20.393 145 HG2 LYS 22 HG2 LYS 22 31.504 26.271 22.533 146 HG3 LYS 22 HG3 LYS 22 31.861 24.687 21.831 147 HD2 LYS 22 HD2 LYS 22 33.009 27.334 20.867 148 HD3 LYS 22 HD3 LYS 22 33.836 26.128 21.870 149 HE2 LYS 22 HE2 LYS 22 33.417 24.435 20.014 150 HE3 LYS 22 HE3 LYS 22 32.834 25.777 19.014 151 HZ1 LYS 22 HZ1 LYS 22 35.180 25.359 18.587 152 HZ2 LYS 22 HZ2 LYS 22 35.024 26.831 19.313 153 HZ3 LYS 22 HZ3 LYS 22 35.549 25.543 20.182 154 H CYS 23 H CYS 23 28.097 27.727 20.893 155 HA CYS 23 HA CYS 23 26.468 26.963 18.504 156 HB2 CYS 23 HB2 CYS 23 25.166 26.970 20.649 157 HB3 CYS 23 HB3 CYS 23 25.533 28.686 20.800 158 H TRP 24 H TRP 24 28.532 29.449 19.988 159 HA TRP 24 HA TRP 24 27.629 31.645 18.501 160 HB2 TRP 24 HB2 TRP 24 29.471 32.793 19.325 161 HB3 TRP 24 HB3 TRP 24 29.086 31.617 20.551 162 HD1 TRP 24 HD1 TRP 24 30.980 29.926 21.224 163 HE1 TRP 24 HE1 TRP 24 33.518 29.849 20.763 164 HE3 TRP 24 HE3 TRP 24 31.189 33.163 17.261 165 HZ2 TRP 24 HZ2 TRP 24 35.385 31.164 19.029 166 HZ3 TRP 24 HZ3 TRP 24 33.375 33.762 16.252 167 HH2 TRP 24 HH2 TRP 24 35.481 32.804 17.143 168 H GLY 25 H GLY 25 30.094 29.315 17.523 169 HA2 GLY 25 HA2 GLY 25 30.278 30.554 14.798 170 HA3 GLY 25 HA3 GLY 25 31.557 29.628 15.592 171 H ILE 26 H ILE 26 28.628 28.168 16.283 172 HA ILE 26 HA ILE 26 28.833 26.150 14.082 173 HB ILE 26 HB ILE 26 27.667 26.039 16.882 174 HG12 ILE 26 HG12 ILE 26 30.075 25.740 16.886 175 HG13 ILE 26 HG13 ILE 26 29.269 24.244 17.299 176 HG21 ILE 26 HG21 ILE 26 27.446 23.930 14.716 177 HG22 ILE 26 HG22 ILE 26 27.130 23.655 16.441 178 HG23 ILE 26 HG23 ILE 26 26.126 24.786 15.550 179 HD11 ILE 26 HD11 ILE 26 30.560 24.895 14.611 180 HD12 ILE 26 HD12 ILE 26 31.152 23.788 15.851 181 HD13 ILE 26 HD13 ILE 26 29.674 23.391 14.971 182 H GLN 27 H GLN 27 26.965 25.652 12.877 183 HA GLN 27 HA GLN 27 25.248 27.807 12.332 184 HB2 GLN 27 HB2 GLN 27 25.883 25.867 10.871 185 HB3 GLN 27 HB3 GLN 27 24.681 24.885 11.690 186 HG2 GLN 27 HG2 GLN 27 23.906 27.564 10.452 187 HG3 GLN 27 HG3 GLN 27 24.211 26.169 9.433 188 HE21 GLN 27 HE21 GLN 27 20.735 25.690 9.698 189 HE22 GLN 27 HE22 GLN 27 21.963 26.576 8.783 190 H TYR 28 H TYR 28 23.480 28.572 13.159 191 HA TYR 28 HA TYR 28 22.854 28.269 15.756 192 HB2 TYR 28 HB2 TYR 28 21.185 29.904 15.391 193 HB3 TYR 28 HB3 TYR 28 22.419 30.190 14.177 194 HD1 TYR 28 HD1 TYR 28 21.978 29.555 11.762 195 HD2 TYR 28 HD2 TYR 28 18.944 29.193 14.812 196 HE1 TYR 28 HE1 TYR 28 20.258 29.218 10.009 197 HE2 TYR 28 HE2 TYR 28 17.231 28.865 13.049 198 HH TYR 28 HH TYR 28 18.037 28.882 9.569 199 H LYS 29 H LYS 29 21.484 25.976 13.532 200 HA LYS 29 HA LYS 29 18.957 25.615 14.981 201 HB2 LYS 29 HB2 LYS 29 20.310 23.982 12.797 202 HB3 LYS 29 HB3 LYS 29 18.742 23.626 13.486 203 HG2 LYS 29 HG2 LYS 29 17.936 25.917 12.800 204 HG3 LYS 29 HG3 LYS 29 19.459 26.117 11.910 205 HD2 LYS 29 HD2 LYS 29 18.944 24.023 10.638 206 HD3 LYS 29 HD3 LYS 29 17.403 23.892 11.498 207 HE2 LYS 29 HE2 LYS 29 16.705 26.100 10.586 208 HE3 LYS 29 HE3 LYS 29 18.229 26.211 9.694 209 HZ1 LYS 29 HZ1 LYS 29 16.439 25.391 8.315 210 HZ2 LYS 29 HZ2 LYS 29 17.588 24.204 8.476 211 HZ3 LYS 29 HZ3 LYS 29 16.141 24.145 9.307 212 H TYR 30 H TYR 30 22.150 24.271 15.476 213 HA TYR 30 HA TYR 30 21.178 22.624 17.707 214 HB2 TYR 30 HB2 TYR 30 20.614 21.126 15.941 215 HB3 TYR 30 HB3 TYR 30 22.135 21.401 15.106 216 HD1 TYR 30 HD1 TYR 30 24.125 20.168 15.671 217 HD2 TYR 30 HD2 TYR 30 20.526 19.721 18.012 218 HE1 TYR 30 HE1 TYR 30 25.065 18.126 16.752 219 HE2 TYR 30 HE2 TYR 30 21.479 17.695 19.091 220 HH TYR 30 HH TYR 30 23.221 16.170 19.081 221 H CYS 31 H CYS 31 22.700 22.444 19.252 222 HA CYS 31 HA CYS 31 25.376 23.550 18.867 223 HB2 CYS 31 HB2 CYS 31 24.249 24.018 20.898 224 HB3 CYS 31 HB3 CYS 31 23.852 22.317 21.166 225 H GLN 32 H GLN 32 27.054 22.500 18.113 226 HA GLN 32 HA GLN 32 27.268 19.522 18.203 227 HB2 GLN 32 HB2 GLN 32 28.782 21.596 16.547 228 HB3 GLN 32 HB3 GLN 32 29.073 19.862 16.534 229 HG2 GLN 32 HG2 GLN 32 26.601 19.584 15.888 230 HG3 GLN 32 HG3 GLN 32 26.602 21.317 15.545 231 HE21 GLN 32 HE21 GLN 32 28.345 18.684 12.950 232 HE22 GLN 32 HE22 GLN 32 27.744 18.126 14.507 233 H CYS 33 H CYS 33 29.240 18.514 18.903 234 HA CYS 33 HA CYS 33 30.748 20.124 20.919 235 HB2 CYS 33 HB2 CYS 33 30.121 17.247 21.303 236 HB3 CYS 33 HB3 CYS 33 30.461 18.487 22.519 237 H GLN 34 H GLN 34 32.703 19.263 21.775 238 HA GLN 34 HA GLN 34 34.104 17.088 20.363 239 HB2 GLN 34 HB2 GLN 34 35.460 19.778 20.778 240 HB3 GLN 34 HB3 GLN 34 36.172 18.313 20.113 241 HG2 GLN 34 HG2 GLN 34 34.497 18.470 18.196 242 HG3 GLN 34 HG3 GLN 34 34.075 20.078 18.801 243 HE21 GLN 34 HE21 GLN 34 37.472 21.316 17.955 244 HE22 GLN 34 HE22 GLN 34 36.276 21.483 19.256 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 17.953 33.682 18.179 2 H2 GLY 1 H2 GLY 1 17.163 33.767 16.728 3 H3 GLY 1 H3 GLY 1 17.767 35.136 17.423 4 HA2 GLY 1 HA2 GLY 1 19.122 34.334 15.554 5 HA3 GLY 1 HA3 GLY 1 19.996 34.438 17.093 6 H SER 2 H SER 2 21.015 32.668 17.805 7 HA SER 2 HA SER 2 21.296 30.454 16.050 8 HB2 SER 2 HB2 SER 2 22.993 31.608 17.552 9 HB3 SER 2 HB3 SER 2 22.333 30.647 18.894 10 HG SER 2 HG SER 2 24.127 29.989 17.029 11 H ALA 3 H ALA 3 19.029 30.789 18.593 12 HA ALA 3 HA ALA 3 17.581 29.450 19.620 13 HB1 ALA 3 HB1 ALA 3 17.859 27.684 17.186 14 HB2 ALA 3 HB2 ALA 3 16.466 27.781 18.283 15 HB3 ALA 3 HB3 ALA 3 16.899 29.171 17.266 16 H CYS 4 H CYS 4 19.943 29.198 20.779 17 HA CYS 4 HA CYS 4 20.099 26.359 21.703 18 HB2 CYS 4 HB2 CYS 4 22.305 28.179 20.722 19 HB3 CYS 4 HB3 CYS 4 22.643 26.869 21.848 20 H GLN 5 H GLN 5 20.694 26.014 23.797 21 HA GLN 5 HA GLN 5 19.945 27.978 25.745 22 HB2 GLN 5 HB2 GLN 5 21.201 25.210 26.035 23 HB3 GLN 5 HB3 GLN 5 20.497 26.160 27.333 24 HG2 GLN 5 HG2 GLN 5 18.312 26.162 26.035 25 HG3 GLN 5 HG3 GLN 5 19.032 24.956 24.976 26 HE21 GLN 5 HE21 GLN 5 17.949 22.411 27.182 27 HE22 GLN 5 HE22 GLN 5 18.090 23.013 25.544 28 H PHE 6 H PHE 6 21.190 28.448 27.736 29 HA PHE 6 HA PHE 6 23.550 29.921 27.155 30 HB2 PHE 6 HB2 PHE 6 22.336 28.923 29.755 31 HB3 PHE 6 HB3 PHE 6 23.605 30.133 29.680 32 HD1 PHE 6 HD1 PHE 6 20.606 30.185 30.799 33 HD2 PHE 6 HD2 PHE 6 22.610 31.868 27.365 34 HE1 PHE 6 HE1 PHE 6 19.003 32.075 30.781 35 HE2 PHE 6 HE2 PHE 6 20.991 33.732 27.340 36 HZ PHE 6 HZ PHE 6 19.191 33.856 29.051 37 H TRP 7 H TRP 7 23.247 26.792 28.788 38 HA TRP 7 HA TRP 7 26.115 26.188 28.312 39 HB2 TRP 7 HB2 TRP 7 26.263 25.488 30.799 40 HB3 TRP 7 HB3 TRP 7 26.470 27.166 30.347 41 HD1 TRP 7 HD1 TRP 7 25.090 28.898 31.539 42 HE1 TRP 7 HE1 TRP 7 23.033 28.946 33.066 43 HE3 TRP 7 HE3 TRP 7 23.941 23.903 31.516 44 HZ2 TRP 7 HZ2 TRP 7 21.045 27.086 34.026 45 HZ3 TRP 7 HZ3 TRP 7 21.918 23.084 32.690 46 HH2 TRP 7 HH2 TRP 7 20.449 24.662 33.920 47 H SER 8 H SER 8 22.872 25.062 28.809 48 HA SER 8 HA SER 8 23.497 22.397 29.493 49 HB2 SER 8 HB2 SER 8 21.245 23.666 29.551 50 HB3 SER 8 HB3 SER 8 21.003 23.006 27.923 51 HG SER 8 HG SER 8 21.140 20.925 28.797 52 H CYS 9 H CYS 9 23.599 23.868 26.322 53 HA CYS 9 HA CYS 9 23.655 21.634 24.590 54 HB2 CYS 9 HB2 CYS 9 23.597 23.838 23.698 55 HB3 CYS 9 HB3 CYS 9 24.993 24.353 24.635 56 H ASN 10 H ASN 10 26.361 23.134 26.425 57 HA ASN 10 HA ASN 10 28.312 21.109 25.685 58 HB2 ASN 10 HB2 ASN 10 28.912 23.418 26.284 59 HB3 ASN 10 HB3 ASN 10 28.232 23.198 27.900 60 HD21 ASN 10 HD21 ASN 10 31.302 22.031 29.113 61 HD22 ASN 10 HD22 ASN 10 29.707 22.700 29.444 62 H SER 11 H SER 11 26.239 21.622 28.565 63 HA SER 11 HA SER 11 27.137 19.534 30.212 64 HB2 SER 11 HB2 SER 11 25.492 21.303 30.819 65 HB3 SER 11 HB3 SER 11 24.284 20.475 29.806 66 HG SER 11 HG SER 11 23.907 19.842 31.810 67 H SER 12 H SER 12 24.798 19.295 27.480 68 HA SER 12 HA SER 12 24.406 16.446 27.737 69 HB2 SER 12 HB2 SER 12 22.854 17.839 26.472 70 HB3 SER 12 HB3 SER 12 24.115 18.222 25.288 71 HG SER 12 HG SER 12 24.080 16.180 24.534 72 H CYS 13 H CYS 13 26.751 18.335 25.698 73 HA CYS 13 HA CYS 13 27.863 16.079 24.403 74 HB2 CYS 13 HB2 CYS 13 29.231 18.688 25.254 75 HB3 CYS 13 HB3 CYS 13 29.909 17.533 24.151 76 H ILE 14 H ILE 14 28.742 17.512 27.571 77 HA ILE 14 HA ILE 14 30.909 15.747 28.176 78 HB ILE 14 HB ILE 14 28.987 17.358 29.882 79 HG12 ILE 14 HG12 ILE 14 31.969 17.691 29.284 80 HG13 ILE 14 HG13 ILE 14 30.696 18.494 28.374 81 HG21 ILE 14 HG21 ILE 14 31.393 15.745 30.849 82 HG22 ILE 14 HG22 ILE 14 30.521 16.946 31.817 83 HG23 ILE 14 HG23 ILE 14 29.688 15.494 31.310 84 HD11 ILE 14 HD11 ILE 14 29.924 19.647 30.440 85 HD12 ILE 14 HD12 ILE 14 31.315 18.949 31.315 86 HD13 ILE 14 HD13 ILE 14 31.587 20.042 29.960 87 H SER 15 H SER 15 27.371 15.242 28.528 88 HA SER 15 HA SER 15 27.711 12.686 29.873 89 HB2 SER 15 HB2 SER 15 25.600 13.969 30.069 90 HB3 SER 15 HB3 SER 15 25.327 13.800 28.331 91 HG SER 15 HG SER 15 24.191 12.155 29.190 92 H ARG 16 H ARG 16 27.281 13.615 26.453 93 HA ARG 16 HA ARG 16 27.445 10.909 25.408 94 HB2 ARG 16 HB2 ARG 16 28.101 13.577 24.133 95 HB3 ARG 16 HB3 ARG 16 27.908 12.058 23.259 96 HG2 ARG 16 HG2 ARG 16 25.744 13.652 24.691 97 HG3 ARG 16 HG3 ARG 16 25.984 13.448 22.974 98 HD2 ARG 16 HD2 ARG 16 24.250 11.999 23.373 99 HD3 ARG 16 HD3 ARG 16 25.644 10.910 23.380 100 HE ARG 16 HE ARG 16 24.516 12.128 25.884 101 HH11 ARG 16 HH11 ARG 16 25.398 9.124 24.172 102 HH12 ARG 16 HH12 ARG 16 24.980 8.154 25.554 103 HH21 ARG 16 HH21 ARG 16 23.863 10.694 27.526 104 HH22 ARG 16 HH22 ARG 16 24.364 9.019 27.416 105 H GLY 17 H GLY 17 29.832 12.512 27.096 106 HA2 GLY 17 HA2 GLY 17 31.989 11.783 27.522 107 HA3 GLY 17 HA3 GLY 17 31.842 10.544 26.271 108 H TYR 18 H TYR 18 31.243 13.975 25.645 109 HA TYR 18 HA TYR 18 33.663 14.142 23.921 110 HB2 TYR 18 HB2 TYR 18 31.191 15.839 24.098 111 HB3 TYR 18 HB3 TYR 18 32.567 16.275 23.121 112 HD1 TYR 18 HD1 TYR 18 29.416 14.858 22.926 113 HD2 TYR 18 HD2 TYR 18 33.441 14.175 21.555 114 HE1 TYR 18 HE1 TYR 18 28.548 13.410 21.099 115 HE2 TYR 18 HE2 TYR 18 32.581 12.722 19.732 116 HH TYR 18 HH TYR 18 30.711 11.633 18.875 117 H ARG 19 H ARG 19 34.796 16.248 23.957 118 HA ARG 19 HA ARG 19 35.758 16.797 26.704 119 HB2 ARG 19 HB2 ARG 19 36.524 17.941 23.973 120 HB3 ARG 19 HB3 ARG 19 37.225 18.476 25.506 121 HG2 ARG 19 HG2 ARG 19 37.906 16.087 25.971 122 HG3 ARG 19 HG3 ARG 19 37.328 15.662 24.357 123 HD2 ARG 19 HD2 ARG 19 39.666 15.934 24.242 124 HD3 ARG 19 HD3 ARG 19 38.945 17.305 23.376 125 HE ARG 19 HE ARG 19 39.276 18.514 25.689 126 HH11 ARG 19 HH11 ARG 19 41.653 16.309 24.318 127 HH12 ARG 19 HH12 ARG 19 42.796 16.686 25.600 128 HH21 ARG 19 HH21 ARG 19 40.797 19.108 27.016 129 HH22 ARG 19 HH22 ARG 19 42.426 18.490 26.904 130 H GLN 20 H GLN 20 34.337 18.801 24.144 131 HA GLN 20 HA GLN 20 32.563 20.123 25.959 132 HB2 GLN 20 HB2 GLN 20 33.426 22.428 25.705 133 HB3 GLN 20 HB3 GLN 20 34.475 21.380 26.640 134 HG2 GLN 20 HG2 GLN 20 35.904 21.097 24.513 135 HG3 GLN 20 HG3 GLN 20 34.922 22.371 23.800 136 HE21 GLN 20 HE21 GLN 20 37.677 24.334 25.113 137 HE22 GLN 20 HE22 GLN 20 37.141 23.529 23.647 138 H GLY 21 H GLY 21 31.015 21.361 24.903 139 HA2 GLY 21 HA2 GLY 21 31.058 21.405 21.912 140 HA3 GLY 21 HA3 GLY 21 29.597 21.035 22.826 141 H LYS 22 H LYS 22 29.633 22.897 20.936 142 HA LYS 22 HA LYS 22 28.729 25.238 22.422 143 HB2 LYS 22 HB2 LYS 22 30.023 26.920 21.355 144 HB3 LYS 22 HB3 LYS 22 31.151 25.746 22.027 145 HG2 LYS 22 HG2 LYS 22 31.347 24.708 19.732 146 HG3 LYS 22 HG3 LYS 22 30.269 25.964 19.112 147 HD2 LYS 22 HD2 LYS 22 32.497 26.551 18.546 148 HD3 LYS 22 HD3 LYS 22 31.935 27.697 19.778 149 HE2 LYS 22 HE2 LYS 22 33.176 26.531 21.509 150 HE3 LYS 22 HE3 LYS 22 33.558 25.197 20.415 151 HZ1 LYS 22 HZ1 LYS 22 35.431 26.722 20.619 152 HZ2 LYS 22 HZ2 LYS 22 34.878 26.702 19.080 153 HZ3 LYS 22 HZ3 LYS 22 34.531 27.982 20.070 154 H CYS 23 H CYS 23 27.491 26.663 21.184 155 HA CYS 23 HA CYS 23 26.629 25.826 18.444 156 HB2 CYS 23 HB2 CYS 23 24.973 25.230 20.208 157 HB3 CYS 23 HB3 CYS 23 24.938 26.900 20.734 158 H TRP 24 H TRP 24 26.973 28.474 20.836 159 HA TRP 24 HA TRP 24 26.141 30.578 19.202 160 HB2 TRP 24 HB2 TRP 24 26.646 31.931 20.972 161 HB3 TRP 24 HB3 TRP 24 26.480 30.398 21.784 162 HD1 TRP 24 HD1 TRP 24 28.875 29.218 22.530 163 HE1 TRP 24 HE1 TRP 24 31.098 30.256 23.247 164 HE3 TRP 24 HE3 TRP 24 28.239 33.926 20.599 165 HZ2 TRP 24 HZ2 TRP 24 32.382 32.839 23.143 166 HZ3 TRP 24 HZ3 TRP 24 30.000 35.651 20.912 167 HH2 TRP 24 HH2 TRP 24 32.058 35.130 22.202 168 H GLY 25 H GLY 25 27.221 32.426 18.450 169 HA2 GLY 25 HA2 GLY 25 29.455 33.520 18.073 170 HA3 GLY 25 HA3 GLY 25 29.985 31.994 17.383 171 H ILE 26 H ILE 26 30.467 33.004 15.397 172 HA ILE 26 HA ILE 26 28.292 34.188 13.785 173 HB ILE 26 HB ILE 26 29.947 34.777 12.204 174 HG12 ILE 26 HG12 ILE 26 31.993 33.210 13.816 175 HG13 ILE 26 HG13 ILE 26 31.359 32.775 12.229 176 HG21 ILE 26 HG21 ILE 26 31.116 35.369 14.936 177 HG22 ILE 26 HG22 ILE 26 31.191 36.369 13.469 178 HG23 ILE 26 HG23 ILE 26 29.642 36.138 14.291 179 HD11 ILE 26 HD11 ILE 26 32.330 34.889 11.293 180 HD12 ILE 26 HD12 ILE 26 33.107 35.177 12.871 181 HD13 ILE 26 HD13 ILE 26 33.526 33.742 11.925 182 H GLN 27 H GLN 27 29.300 31.035 14.308 183 HA GLN 27 HA GLN 27 28.844 29.985 11.625 184 HB2 GLN 27 HB2 GLN 27 30.410 28.901 13.100 185 HB3 GLN 27 HB3 GLN 27 29.202 28.727 14.368 186 HG2 GLN 27 HG2 GLN 27 29.672 26.600 13.237 187 HG3 GLN 27 HG3 GLN 27 27.981 27.072 13.106 188 HE21 GLN 27 HE21 GLN 27 30.313 27.079 9.684 189 HE22 GLN 27 HE22 GLN 27 31.088 27.353 11.246 190 H TYR 28 H TYR 28 26.956 29.489 10.722 191 HA TYR 28 HA TYR 28 24.436 29.803 12.090 192 HB2 TYR 28 HB2 TYR 28 24.952 30.348 9.694 193 HB3 TYR 28 HB3 TYR 28 25.003 28.636 9.339 194 HD1 TYR 28 HD1 TYR 28 22.790 31.310 10.767 195 HD2 TYR 28 HD2 TYR 28 22.980 27.501 8.731 196 HE1 TYR 28 HE1 TYR 28 20.305 31.308 10.505 197 HE2 TYR 28 HE2 TYR 28 20.512 27.538 8.435 198 HH TYR 28 HH TYR 28 18.585 28.833 8.622 199 H LYS 29 H LYS 29 26.380 26.910 11.560 200 HA LYS 29 HA LYS 29 24.345 24.916 11.840 201 HB2 LYS 29 HB2 LYS 29 27.304 24.903 12.515 202 HB3 LYS 29 HB3 LYS 29 26.270 23.503 12.760 203 HG2 LYS 29 HG2 LYS 29 25.703 23.437 10.364 204 HG3 LYS 29 HG3 LYS 29 26.698 24.867 10.072 205 HD2 LYS 29 HD2 LYS 29 28.055 23.014 9.446 206 HD3 LYS 29 HD3 LYS 29 28.675 23.545 11.014 207 HE2 LYS 29 HE2 LYS 29 27.012 21.744 11.989 208 HE3 LYS 29 HE3 LYS 29 26.952 21.122 10.339 209 HZ1 LYS 29 HZ1 LYS 29 29.479 20.984 10.526 210 HZ2 LYS 29 HZ2 LYS 29 29.325 21.351 12.102 211 HZ3 LYS 29 HZ3 LYS 29 28.648 19.964 11.532 212 H TYR 30 H TYR 30 23.895 23.523 13.556 213 HA TYR 30 HA TYR 30 23.053 24.933 15.955 214 HB2 TYR 30 HB2 TYR 30 21.660 23.366 14.595 215 HB3 TYR 30 HB3 TYR 30 22.711 22.039 15.072 216 HD1 TYR 30 HD1 TYR 30 20.630 24.804 16.570 217 HD2 TYR 30 HD2 TYR 30 22.081 20.761 16.964 218 HE1 TYR 30 HE1 TYR 30 19.402 24.569 18.705 219 HE2 TYR 30 HE2 TYR 30 20.839 20.534 19.114 220 HH TYR 30 HH TYR 30 18.788 23.151 20.432 221 H CYS 31 H CYS 31 23.087 23.371 18.035 222 HA CYS 31 HA CYS 31 25.663 23.447 19.219 223 HB2 CYS 31 HB2 CYS 31 23.563 23.510 20.499 224 HB3 CYS 31 HB3 CYS 31 23.135 21.913 19.889 225 H GLN 32 H GLN 32 27.387 22.234 18.899 226 HA GLN 32 HA GLN 32 27.221 19.304 18.562 227 HB2 GLN 32 HB2 GLN 32 28.661 21.117 16.571 228 HB3 GLN 32 HB3 GLN 32 28.811 19.356 16.659 229 HG2 GLN 32 HG2 GLN 32 26.315 19.189 16.252 230 HG3 GLN 32 HG3 GLN 32 26.296 20.925 15.961 231 HE21 GLN 32 HE21 GLN 32 26.478 19.548 12.621 232 HE22 GLN 32 HE22 GLN 32 25.342 20.088 13.843 233 H CYS 33 H CYS 33 29.571 18.381 18.586 234 HA CYS 33 HA CYS 33 31.100 19.804 20.707 235 HB2 CYS 33 HB2 CYS 33 30.843 16.877 20.936 236 HB3 CYS 33 HB3 CYS 33 30.911 18.118 22.186 237 H GLN 34 H GLN 34 33.155 18.750 21.308 238 HA GLN 34 HA GLN 34 34.619 17.546 18.992 239 HB2 GLN 34 HB2 GLN 34 35.667 19.400 21.160 240 HB3 GLN 34 HB3 GLN 34 36.672 18.563 19.978 241 HG2 GLN 34 HG2 GLN 34 34.523 20.621 19.319 242 HG3 GLN 34 HG3 GLN 34 36.248 20.927 19.363 243 HE21 GLN 34 HE21 GLN 34 35.081 20.256 15.811 244 HE22 GLN 34 HE22 GLN 34 34.668 21.463 17.042 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 17.089 37.314 18.886 2 H2 GLY 1 H2 GLY 1 16.531 36.174 19.946 3 H3 GLY 1 H3 GLY 1 17.673 35.788 18.836 4 HA2 GLY 1 HA2 GLY 1 19.307 37.193 19.868 5 HA3 GLY 1 HA3 GLY 1 18.058 37.711 21.024 6 H SER 2 H SER 2 20.693 36.142 21.213 7 HA SER 2 HA SER 2 21.582 34.420 22.396 8 HB2 SER 2 HB2 SER 2 20.857 34.566 24.800 9 HB3 SER 2 HB3 SER 2 21.278 36.070 23.989 10 HG SER 2 HG SER 2 18.734 35.162 24.800 11 H ALA 3 H ALA 3 19.520 33.221 20.715 12 HA ALA 3 HA ALA 3 17.973 31.334 22.191 13 HB1 ALA 3 HB1 ALA 3 18.770 31.426 19.253 14 HB2 ALA 3 HB2 ALA 3 17.454 30.449 19.947 15 HB3 ALA 3 HB3 ALA 3 17.351 32.216 19.987 16 H CYS 4 H CYS 4 21.342 31.190 21.417 17 HA CYS 4 HA CYS 4 21.622 28.306 21.440 18 HB2 CYS 4 HB2 CYS 4 23.494 30.601 22.112 19 HB3 CYS 4 HB3 CYS 4 23.966 28.917 22.302 20 H GLN 5 H GLN 5 21.617 26.904 23.078 21 HA GLN 5 HA GLN 5 20.716 27.470 25.688 22 HB2 GLN 5 HB2 GLN 5 22.407 25.133 24.681 23 HB3 GLN 5 HB3 GLN 5 21.559 25.218 26.224 24 HG2 GLN 5 HG2 GLN 5 20.105 23.956 24.970 25 HG3 GLN 5 HG3 GLN 5 19.391 25.545 24.816 26 HE21 GLN 5 HE21 GLN 5 19.314 24.042 21.443 27 HE22 GLN 5 HE22 GLN 5 18.588 23.684 23.009 28 H PHE 6 H PHE 6 21.708 28.119 27.544 29 HA PHE 6 HA PHE 6 24.182 29.524 27.346 30 HB2 PHE 6 HB2 PHE 6 22.647 28.616 29.809 31 HB3 PHE 6 HB3 PHE 6 23.931 29.812 29.792 32 HD1 PHE 6 HD1 PHE 6 22.182 30.641 26.840 33 HD2 PHE 6 HD2 PHE 6 21.775 30.725 31.134 34 HE1 PHE 6 HE1 PHE 6 20.557 32.475 26.656 35 HE2 PHE 6 HE2 PHE 6 20.156 32.588 30.930 36 HZ PHE 6 HZ PHE 6 19.522 33.455 28.689 37 H TRP 7 H TRP 7 23.455 26.477 29.027 38 HA TRP 7 HA TRP 7 26.129 25.430 28.356 39 HB2 TRP 7 HB2 TRP 7 26.531 24.720 30.749 40 HB3 TRP 7 HB3 TRP 7 26.643 26.446 30.475 41 HD1 TRP 7 HD1 TRP 7 25.081 28.006 31.766 42 HE1 TRP 7 HE1 TRP 7 23.253 27.748 33.539 43 HE3 TRP 7 HE3 TRP 7 24.522 22.913 31.614 44 HZ2 TRP 7 HZ2 TRP 7 21.782 25.609 34.799 45 HZ3 TRP 7 HZ3 TRP 7 22.869 21.794 33.092 46 HH2 TRP 7 HH2 TRP 7 21.514 23.116 34.693 47 H SER 8 H SER 8 22.772 24.825 28.894 48 HA SER 8 HA SER 8 22.776 22.070 29.384 49 HB2 SER 8 HB2 SER 8 20.690 23.183 29.309 50 HB3 SER 8 HB3 SER 8 20.976 23.808 27.680 51 HG SER 8 HG SER 8 19.634 22.094 27.428 52 H CYS 9 H CYS 9 23.564 23.663 26.272 53 HA CYS 9 HA CYS 9 23.760 21.213 24.737 54 HB2 CYS 9 HB2 CYS 9 24.307 24.074 24.406 55 HB3 CYS 9 HB3 CYS 9 25.560 23.111 23.668 56 H ASN 10 H ASN 10 26.193 23.166 26.552 57 HA ASN 10 HA ASN 10 28.411 21.475 25.899 58 HB2 ASN 10 HB2 ASN 10 28.409 23.893 26.804 59 HB3 ASN 10 HB3 ASN 10 28.163 23.191 28.408 60 HD21 ASN 10 HD21 ASN 10 31.579 22.248 28.682 61 HD22 ASN 10 HD22 ASN 10 30.031 22.417 29.495 62 H SER 11 H SER 11 26.267 21.527 28.750 63 HA SER 11 HA SER 11 27.345 19.335 30.197 64 HB2 SER 11 HB2 SER 11 25.770 20.956 31.140 65 HB3 SER 11 HB3 SER 11 24.507 20.429 30.014 66 HG SER 11 HG SER 11 25.523 19.199 32.298 67 H SER 12 H SER 12 24.717 19.372 27.712 68 HA SER 12 HA SER 12 24.264 16.543 27.737 69 HB2 SER 12 HB2 SER 12 22.599 17.944 26.795 70 HB3 SER 12 HB3 SER 12 23.741 18.681 25.656 71 HG SER 12 HG SER 12 23.653 17.019 24.405 72 H CYS 13 H CYS 13 26.488 18.553 25.659 73 HA CYS 13 HA CYS 13 27.555 16.378 24.190 74 HB2 CYS 13 HB2 CYS 13 28.898 18.943 25.162 75 HB3 CYS 13 HB3 CYS 13 29.636 17.780 24.068 76 H ILE 14 H ILE 14 28.703 17.718 27.358 77 HA ILE 14 HA ILE 14 30.795 15.853 27.773 78 HB ILE 14 HB ILE 14 29.050 17.464 29.658 79 HG12 ILE 14 HG12 ILE 14 32.020 17.715 28.958 80 HG13 ILE 14 HG13 ILE 14 30.768 18.543 28.060 81 HG21 ILE 14 HG21 ILE 14 31.477 15.757 30.425 82 HG22 ILE 14 HG22 ILE 14 30.641 16.915 31.476 83 HG23 ILE 14 HG23 ILE 14 29.795 15.490 30.945 84 HD11 ILE 14 HD11 ILE 14 31.349 18.958 31.009 85 HD12 ILE 14 HD12 ILE 14 31.704 20.062 29.681 86 HD13 ILE 14 HD13 ILE 14 30.014 19.716 30.108 87 H SER 15 H SER 15 27.337 15.587 28.643 88 HA SER 15 HA SER 15 27.483 13.001 29.798 89 HB2 SER 15 HB2 SER 15 25.598 14.574 30.052 90 HB3 SER 15 HB3 SER 15 25.213 14.430 28.344 91 HG SER 15 HG SER 15 24.774 12.643 30.447 92 H ARG 16 H ARG 16 27.132 13.905 26.343 93 HA ARG 16 HA ARG 16 27.050 11.120 25.434 94 HB2 ARG 16 HB2 ARG 16 27.613 13.685 23.898 95 HB3 ARG 16 HB3 ARG 16 27.262 12.111 23.196 96 HG2 ARG 16 HG2 ARG 16 25.349 13.935 24.674 97 HG3 ARG 16 HG3 ARG 16 25.345 13.465 23.010 98 HD2 ARG 16 HD2 ARG 16 23.631 12.161 23.882 99 HD3 ARG 16 HD3 ARG 16 24.992 11.026 23.886 100 HE ARG 16 HE ARG 16 24.472 12.615 26.337 101 HH11 ARG 16 HH11 ARG 16 23.989 9.434 24.845 102 HH12 ARG 16 HH12 ARG 16 23.885 8.694 26.442 103 HH21 ARG 16 HH21 ARG 16 24.234 11.485 28.277 104 HH22 ARG 16 HH22 ARG 16 23.892 9.766 28.174 105 H GLY 17 H GLY 17 29.517 12.561 26.943 106 HA2 GLY 17 HA2 GLY 17 31.563 11.493 27.305 107 HA3 GLY 17 HA3 GLY 17 31.445 10.684 25.745 108 H TYR 18 H TYR 18 30.889 14.068 25.454 109 HA TYR 18 HA TYR 18 33.471 14.405 24.068 110 HB2 TYR 18 HB2 TYR 18 30.997 16.120 24.251 111 HB3 TYR 18 HB3 TYR 18 32.388 16.530 23.297 112 HD1 TYR 18 HD1 TYR 18 33.206 14.588 21.608 113 HD2 TYR 18 HD2 TYR 18 29.189 15.120 23.086 114 HE1 TYR 18 HE1 TYR 18 32.300 13.438 19.592 115 HE2 TYR 18 HE2 TYR 18 28.297 13.979 21.072 116 HH TYR 18 HH TYR 18 28.804 12.840 19.125 117 H ARG 19 H ARG 19 34.520 16.567 24.263 118 HA ARG 19 HA ARG 19 35.153 17.202 27.104 119 HB2 ARG 19 HB2 ARG 19 36.308 18.355 24.521 120 HB3 ARG 19 HB3 ARG 19 36.867 18.718 26.152 121 HG2 ARG 19 HG2 ARG 19 37.412 16.270 26.464 122 HG3 ARG 19 HG3 ARG 19 36.957 16.017 24.770 123 HD2 ARG 19 HD2 ARG 19 39.271 16.212 24.692 124 HD3 ARG 19 HD3 ARG 19 38.703 17.801 24.166 125 HE ARG 19 HE ARG 19 39.126 17.970 26.969 126 HH11 ARG 19 HH11 ARG 19 41.176 17.503 24.120 127 HH12 ARG 19 HH12 ARG 19 42.609 17.878 25.093 128 HH21 ARG 19 HH21 ARG 19 40.995 18.414 27.987 129 HH22 ARG 19 HH22 ARG 19 42.527 18.356 27.084 130 H GLN 20 H GLN 20 33.955 19.049 24.299 131 HA GLN 20 HA GLN 20 32.294 20.793 25.942 132 HB2 GLN 20 HB2 GLN 20 33.407 22.877 25.309 133 HB3 GLN 20 HB3 GLN 20 34.431 21.886 26.332 134 HG2 GLN 20 HG2 GLN 20 35.809 21.222 24.425 135 HG3 GLN 20 HG3 GLN 20 34.738 22.073 23.307 136 HE21 GLN 20 HE21 GLN 20 37.548 24.375 23.828 137 HE22 GLN 20 HE22 GLN 20 37.231 22.835 23.024 138 H GLY 21 H GLY 21 30.804 22.004 24.726 139 HA2 GLY 21 HA2 GLY 21 30.806 21.667 21.755 140 HA3 GLY 21 HA3 GLY 21 29.344 21.483 22.705 141 H LYS 22 H LYS 22 29.736 23.177 20.498 142 HA LYS 22 HA LYS 22 29.236 25.892 21.670 143 HB2 LYS 22 HB2 LYS 22 31.025 25.209 19.325 144 HB3 LYS 22 HB3 LYS 22 30.436 26.841 19.670 145 HG2 LYS 22 HG2 LYS 22 31.467 26.683 21.961 146 HG3 LYS 22 HG3 LYS 22 32.204 25.155 21.472 147 HD2 LYS 22 HD2 LYS 22 32.681 27.912 20.270 148 HD3 LYS 22 HD3 LYS 22 33.814 26.954 21.225 149 HE2 LYS 22 HE2 LYS 22 33.665 25.175 19.370 150 HE3 LYS 22 HE3 LYS 22 32.779 26.383 18.422 151 HZ1 LYS 22 HZ1 LYS 22 34.786 27.865 18.852 152 HZ2 LYS 22 HZ2 LYS 22 35.587 26.513 19.345 153 HZ3 LYS 22 HZ3 LYS 22 35.035 26.638 17.803 154 H CYS 23 H CYS 23 28.068 27.325 20.423 155 HA CYS 23 HA CYS 23 26.217 26.201 18.351 156 HB2 CYS 23 HB2 CYS 23 25.203 25.899 20.490 157 HB3 CYS 23 HB3 CYS 23 25.626 27.533 21.010 158 H TRP 24 H TRP 24 27.912 29.083 19.601 159 HA TRP 24 HA TRP 24 26.654 30.972 17.846 160 HB2 TRP 24 HB2 TRP 24 28.135 32.472 18.652 161 HB3 TRP 24 HB3 TRP 24 28.209 31.303 19.935 162 HD1 TRP 24 HD1 TRP 24 30.537 29.861 20.082 163 HE1 TRP 24 HE1 TRP 24 32.936 30.400 19.274 164 HE3 TRP 24 HE3 TRP 24 29.480 33.649 16.787 165 HZ2 TRP 24 HZ2 TRP 24 34.207 32.269 17.525 166 HZ3 TRP 24 HZ3 TRP 24 31.312 34.782 15.555 167 HH2 TRP 24 HH2 TRP 24 33.678 34.120 15.929 168 H GLY 25 H GLY 25 27.645 32.071 15.991 169 HA2 GLY 25 HA2 GLY 25 29.308 32.143 14.229 170 HA3 GLY 25 HA3 GLY 25 29.503 30.404 14.336 171 H ILE 26 H ILE 26 29.171 30.293 12.012 172 HA ILE 26 HA ILE 26 26.437 30.831 10.991 173 HB ILE 26 HB ILE 26 28.844 29.614 9.597 174 HG12 ILE 26 HG12 ILE 26 27.447 32.324 9.363 175 HG13 ILE 26 HG13 ILE 26 29.009 32.040 10.126 176 HG21 ILE 26 HG21 ILE 26 26.695 28.700 8.699 177 HG22 ILE 26 HG22 ILE 26 26.084 30.361 8.513 178 HG23 ILE 26 HG23 ILE 26 27.454 29.775 7.550 179 HD11 ILE 26 HD11 ILE 26 28.411 31.736 7.162 180 HD12 ILE 26 HD12 ILE 26 29.364 32.987 7.960 181 HD13 ILE 26 HD13 ILE 26 29.952 31.315 7.951 182 H GLN 27 H GLN 27 25.068 29.603 12.055 183 HA GLN 27 HA GLN 27 25.180 26.655 11.724 184 HB2 GLN 27 HB2 GLN 27 26.220 27.113 13.876 185 HB3 GLN 27 HB3 GLN 27 24.905 28.148 14.358 186 HG2 GLN 27 HG2 GLN 27 24.808 26.020 15.526 187 HG3 GLN 27 HG3 GLN 27 23.383 26.249 14.511 188 HE21 GLN 27 HE21 GLN 27 25.574 22.924 13.969 189 HE22 GLN 27 HE22 GLN 27 25.958 24.056 15.264 190 H TYR 28 H TYR 28 23.227 25.666 11.700 191 HA TYR 28 HA TYR 28 20.738 27.325 11.487 192 HB2 TYR 28 HB2 TYR 28 21.759 25.158 9.587 193 HB3 TYR 28 HB3 TYR 28 20.183 25.914 9.494 194 HD1 TYR 28 HD1 TYR 28 23.746 26.313 8.718 195 HD2 TYR 28 HD2 TYR 28 19.914 28.303 8.918 196 HE1 TYR 28 HE1 TYR 28 24.657 28.211 7.378 197 HE2 TYR 28 HE2 TYR 28 20.837 30.189 7.592 198 HH TYR 28 HH TYR 28 24.201 30.328 6.418 199 H LYS 29 H LYS 29 22.168 24.793 13.109 200 HA LYS 29 HA LYS 29 19.619 23.432 13.812 201 HB2 LYS 29 HB2 LYS 29 22.165 22.068 12.813 202 HB3 LYS 29 HB3 LYS 29 20.771 21.239 13.506 203 HG2 LYS 29 HG2 LYS 29 19.346 22.086 11.652 204 HG3 LYS 29 HG3 LYS 29 20.786 22.806 10.894 205 HD2 LYS 29 HD2 LYS 29 21.838 20.578 10.763 206 HD3 LYS 29 HD3 LYS 29 20.426 19.845 11.552 207 HE2 LYS 29 HE2 LYS 29 18.983 20.591 9.693 208 HE3 LYS 29 HE3 LYS 29 20.373 21.339 8.882 209 HZ1 LYS 29 HZ1 LYS 29 20.200 18.453 9.552 210 HZ2 LYS 29 HZ2 LYS 29 19.834 19.072 8.069 211 HZ3 LYS 29 HZ3 LYS 29 21.376 19.148 8.661 212 H TYR 30 H TYR 30 20.340 21.620 15.482 213 HA TYR 30 HA TYR 30 21.184 22.762 17.896 214 HB2 TYR 30 HB2 TYR 30 19.781 20.754 17.595 215 HB3 TYR 30 HB3 TYR 30 21.162 19.864 16.987 216 HD1 TYR 30 HD1 TYR 30 22.579 18.679 18.488 217 HD2 TYR 30 HD2 TYR 30 19.843 21.662 20.008 218 HE1 TYR 30 HE1 TYR 30 23.051 17.931 20.809 219 HE2 TYR 30 HE2 TYR 30 20.333 20.911 22.343 220 HH TYR 30 HH TYR 30 22.854 18.517 23.032 221 H CYS 31 H CYS 31 23.015 22.431 19.204 222 HA CYS 31 HA CYS 31 25.437 23.163 18.058 223 HB2 CYS 31 HB2 CYS 31 26.314 22.865 20.363 224 HB3 CYS 31 HB3 CYS 31 24.766 23.696 20.292 225 H GLN 32 H GLN 32 27.576 22.242 18.382 226 HA GLN 32 HA GLN 32 27.808 19.291 18.021 227 HB2 GLN 32 HB2 GLN 32 29.352 19.510 16.242 228 HB3 GLN 32 HB3 GLN 32 27.929 20.454 15.835 229 HG2 GLN 32 HG2 GLN 32 29.342 22.476 16.841 230 HG3 GLN 32 HG3 GLN 32 30.707 21.403 16.554 231 HE21 GLN 32 HE21 GLN 32 28.709 23.171 13.409 232 HE22 GLN 32 HE22 GLN 32 28.209 23.384 15.079 233 H CYS 33 H CYS 33 29.989 18.460 18.535 234 HA CYS 33 HA CYS 33 31.281 20.022 20.724 235 HB2 CYS 33 HB2 CYS 33 30.867 17.133 21.159 236 HB3 CYS 33 HB3 CYS 33 30.806 18.477 22.308 237 H GLN 34 H GLN 34 33.197 19.002 21.658 238 HA GLN 34 HA GLN 34 35.101 18.039 19.597 239 HB2 GLN 34 HB2 GLN 34 35.463 19.405 22.291 240 HB3 GLN 34 HB3 GLN 34 36.800 18.718 21.356 241 HG2 GLN 34 HG2 GLN 34 36.111 20.159 19.412 242 HG3 GLN 34 HG3 GLN 34 34.942 20.953 20.453 243 HE21 GLN 34 HE21 GLN 34 38.073 23.006 20.378 244 HE22 GLN 34 HE22 GLN 34 36.942 22.419 19.152 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 15.633 22.406 22.285 2 H2 GLY 1 H2 GLY 1 14.124 21.798 22.494 3 H3 GLY 1 H3 GLY 1 14.474 22.665 21.142 4 HA2 GLY 1 HA2 GLY 1 15.497 20.004 21.881 5 HA3 GLY 1 HA3 GLY 1 14.408 20.368 20.529 6 H SER 2 H SER 2 15.405 22.183 19.017 7 HA SER 2 HA SER 2 18.210 21.375 18.411 8 HB2 SER 2 HB2 SER 2 16.068 22.172 16.441 9 HB3 SER 2 HB3 SER 2 17.701 21.599 16.069 10 HG SER 2 HG SER 2 16.133 19.917 15.922 11 H ALA 3 H ALA 3 16.470 24.079 19.436 12 HA ALA 3 HA ALA 3 18.053 26.119 18.085 13 HB1 ALA 3 HB1 ALA 3 16.348 26.208 20.608 14 HB2 ALA 3 HB2 ALA 3 17.023 27.611 19.752 15 HB3 ALA 3 HB3 ALA 3 15.804 26.596 18.957 16 H CYS 4 H CYS 4 19.749 27.359 19.014 17 HA CYS 4 HA CYS 4 21.700 25.891 20.511 18 HB2 CYS 4 HB2 CYS 4 21.430 28.775 19.628 19 HB3 CYS 4 HB3 CYS 4 22.744 28.266 20.676 20 H GLN 5 H GLN 5 22.645 26.277 22.546 21 HA GLN 5 HA GLN 5 20.865 27.479 24.634 22 HB2 GLN 5 HB2 GLN 5 22.513 24.929 24.784 23 HB3 GLN 5 HB3 GLN 5 21.562 25.623 26.092 24 HG2 GLN 5 HG2 GLN 5 19.496 25.329 24.771 25 HG3 GLN 5 HG3 GLN 5 20.406 24.603 23.449 26 HE21 GLN 5 HE21 GLN 5 19.005 21.965 25.858 27 HE22 GLN 5 HE22 GLN 5 18.228 23.430 25.214 28 H PHE 6 H PHE 6 21.865 28.412 26.470 29 HA PHE 6 HA PHE 6 24.304 29.805 25.986 30 HB2 PHE 6 HB2 PHE 6 22.765 29.273 28.542 31 HB3 PHE 6 HB3 PHE 6 24.155 30.352 28.452 32 HD1 PHE 6 HD1 PHE 6 23.782 31.920 25.991 33 HD2 PHE 6 HD2 PHE 6 20.910 30.676 28.959 34 HE1 PHE 6 HE1 PHE 6 22.353 33.854 25.429 35 HE2 PHE 6 HE2 PHE 6 19.480 32.617 28.371 36 HZ PHE 6 HZ PHE 6 20.198 34.208 26.600 37 H TRP 7 H TRP 7 23.726 27.060 28.202 38 HA TRP 7 HA TRP 7 26.569 26.222 27.908 39 HB2 TRP 7 HB2 TRP 7 26.876 26.055 30.290 40 HB3 TRP 7 HB3 TRP 7 26.463 27.704 29.864 41 HD1 TRP 7 HD1 TRP 7 24.376 28.745 30.983 42 HE1 TRP 7 HE1 TRP 7 22.678 27.983 32.757 43 HE3 TRP 7 HE3 TRP 7 25.639 23.789 31.267 44 HZ2 TRP 7 HZ2 TRP 7 21.769 25.504 33.896 45 HZ3 TRP 7 HZ3 TRP 7 24.334 22.247 32.713 46 HH2 TRP 7 HH2 TRP 7 22.390 23.084 34.004 47 H SER 8 H SER 8 23.217 25.331 28.465 48 HA SER 8 HA SER 8 23.667 22.679 29.371 49 HB2 SER 8 HB2 SER 8 21.507 23.874 29.449 50 HB3 SER 8 HB3 SER 8 21.322 23.626 27.706 51 HG SER 8 HG SER 8 20.606 22.037 29.646 52 H CYS 9 H CYS 9 24.014 23.938 26.119 53 HA CYS 9 HA CYS 9 24.079 21.496 24.616 54 HB2 CYS 9 HB2 CYS 9 25.298 24.250 24.317 55 HB3 CYS 9 HB3 CYS 9 25.928 22.927 23.356 56 H ASN 10 H ASN 10 26.667 23.289 26.267 57 HA ASN 10 HA ASN 10 28.796 21.563 25.770 58 HB2 ASN 10 HB2 ASN 10 28.415 23.294 28.248 59 HB3 ASN 10 HB3 ASN 10 29.924 22.857 27.469 60 HD21 ASN 10 HD21 ASN 10 29.862 25.941 25.767 61 HD22 ASN 10 HD22 ASN 10 30.807 24.592 26.401 62 H SER 11 H SER 11 26.665 21.697 28.662 63 HA SER 11 HA SER 11 27.761 19.402 29.985 64 HB2 SER 11 HB2 SER 11 26.388 21.194 31.045 65 HB3 SER 11 HB3 SER 11 24.959 20.555 30.209 66 HG SER 11 HG SER 11 26.567 19.378 32.222 67 H SER 12 H SER 12 25.068 19.677 27.649 68 HA SER 12 HA SER 12 24.227 16.945 27.698 69 HB2 SER 12 HB2 SER 12 22.865 18.746 26.782 70 HB3 SER 12 HB3 SER 12 24.072 19.076 25.530 71 HG SER 12 HG SER 12 22.183 17.764 24.994 72 H CYS 13 H CYS 13 26.633 18.639 25.587 73 HA CYS 13 HA CYS 13 27.474 16.330 24.131 74 HB2 CYS 13 HB2 CYS 13 28.874 18.903 24.954 75 HB3 CYS 13 HB3 CYS 13 29.657 17.694 23.977 76 H ILE 14 H ILE 14 28.694 17.638 27.294 77 HA ILE 14 HA ILE 14 30.609 15.578 27.735 78 HB ILE 14 HB ILE 14 29.054 17.374 29.606 79 HG12 ILE 14 HG12 ILE 14 32.015 17.412 28.893 80 HG13 ILE 14 HG13 ILE 14 30.838 18.232 27.893 81 HG21 ILE 14 HG21 ILE 14 30.703 16.763 31.376 82 HG22 ILE 14 HG22 ILE 14 29.664 15.417 30.946 83 HG23 ILE 14 HG23 ILE 14 31.332 15.479 30.329 84 HD11 ILE 14 HD11 ILE 14 31.781 19.833 29.390 85 HD12 ILE 14 HD12 ILE 14 30.087 19.587 29.839 86 HD13 ILE 14 HD13 ILE 14 31.381 18.853 30.811 87 H SER 15 H SER 15 27.088 15.566 28.423 88 HA SER 15 HA SER 15 27.079 12.955 29.598 89 HB2 SER 15 HB2 SER 15 25.130 14.289 29.892 90 HB3 SER 15 HB3 SER 15 24.951 14.588 28.171 91 HG SER 15 HG SER 15 23.497 13.036 29.108 92 H ARG 16 H ARG 16 26.847 13.920 26.160 93 HA ARG 16 HA ARG 16 26.786 11.158 25.182 94 HB2 ARG 16 HB2 ARG 16 27.626 13.685 23.740 95 HB3 ARG 16 HB3 ARG 16 27.207 12.151 22.994 96 HG2 ARG 16 HG2 ARG 16 25.313 14.057 24.424 97 HG3 ARG 16 HG3 ARG 16 25.462 13.790 22.711 98 HD2 ARG 16 HD2 ARG 16 23.583 12.586 23.212 99 HD3 ARG 16 HD3 ARG 16 24.808 11.311 23.228 100 HE ARG 16 HE ARG 16 24.781 12.086 25.842 101 HH11 ARG 16 HH11 ARG 16 22.072 11.258 23.746 102 HH12 ARG 16 HH12 ARG 16 21.008 11.024 25.112 103 HH21 ARG 16 HH21 ARG 16 23.425 11.524 27.503 104 HH22 ARG 16 HH22 ARG 16 21.880 10.784 27.126 105 H GLY 17 H GLY 17 29.270 12.626 26.829 106 HA2 GLY 17 HA2 GLY 17 31.293 11.576 27.320 107 HA3 GLY 17 HA3 GLY 17 31.171 10.582 25.864 108 H TYR 18 H TYR 18 30.728 14.002 25.435 109 HA TYR 18 HA TYR 18 33.366 14.256 24.090 110 HB2 TYR 18 HB2 TYR 18 30.951 16.049 24.131 111 HB3 TYR 18 HB3 TYR 18 32.385 16.373 23.205 112 HD1 TYR 18 HD1 TYR 18 33.121 14.349 21.539 113 HD2 TYR 18 HD2 TYR 18 29.147 15.081 23.010 114 HE1 TYR 18 HE1 TYR 18 32.177 13.094 19.614 115 HE2 TYR 18 HE2 TYR 18 28.195 13.822 21.091 116 HH TYR 18 HH TYR 18 30.250 12.256 18.621 117 H ARG 19 H ARG 19 34.332 16.546 24.349 118 HA ARG 19 HA ARG 19 34.911 16.991 27.249 119 HB2 ARG 19 HB2 ARG 19 36.167 18.140 24.718 120 HB3 ARG 19 HB3 ARG 19 36.776 18.327 26.357 121 HG2 ARG 19 HG2 ARG 19 37.295 15.938 26.507 122 HG3 ARG 19 HG3 ARG 19 36.516 15.633 24.944 123 HD2 ARG 19 HD2 ARG 19 38.150 17.256 23.891 124 HD3 ARG 19 HD3 ARG 19 39.004 17.289 25.436 125 HE ARG 19 HE ARG 19 39.601 14.989 25.168 126 HH11 ARG 19 HH11 ARG 19 37.803 16.017 22.294 127 HH12 ARG 19 HH12 ARG 19 38.469 14.665 21.392 128 HH21 ARG 19 HH21 ARG 19 40.558 13.553 23.779 129 HH22 ARG 19 HH22 ARG 19 39.899 13.377 22.157 130 H GLN 20 H GLN 20 33.772 18.736 24.441 131 HA GLN 20 HA GLN 20 32.402 20.874 25.937 132 HB2 GLN 20 HB2 GLN 20 34.640 21.760 25.956 133 HB3 GLN 20 HB3 GLN 20 34.949 21.199 24.321 134 HG2 GLN 20 HG2 GLN 20 34.825 23.492 24.150 135 HG3 GLN 20 HG3 GLN 20 33.330 22.950 23.450 136 HE21 GLN 20 HE21 GLN 20 32.808 25.923 25.774 137 HE22 GLN 20 HE22 GLN 20 33.883 25.587 24.424 138 H GLY 21 H GLY 21 30.805 21.855 24.618 139 HA2 GLY 21 HA2 GLY 21 30.940 21.693 21.695 140 HA3 GLY 21 HA3 GLY 21 29.525 20.926 22.438 141 H LYS 22 H LYS 22 30.254 23.596 20.859 142 HA LYS 22 HA LYS 22 28.672 25.472 22.585 143 HB2 LYS 22 HB2 LYS 22 31.016 25.837 22.879 144 HB3 LYS 22 HB3 LYS 22 31.304 25.814 21.130 145 HG2 LYS 22 HG2 LYS 22 30.219 27.918 20.808 146 HG3 LYS 22 HG3 LYS 22 29.513 27.896 22.436 147 HD2 LYS 22 HD2 LYS 22 31.408 29.434 22.271 148 HD3 LYS 22 HD3 LYS 22 31.704 28.126 23.443 149 HE2 LYS 22 HE2 LYS 22 33.137 26.959 21.896 150 HE3 LYS 22 HE3 LYS 22 32.742 28.087 20.585 151 HZ1 LYS 22 HZ1 LYS 22 34.887 28.563 21.711 152 HZ2 LYS 22 HZ2 LYS 22 33.857 29.832 21.715 153 HZ3 LYS 22 HZ3 LYS 22 34.080 28.948 23.092 154 H CYS 23 H CYS 23 27.367 26.982 21.560 155 HA CYS 23 HA CYS 23 26.706 26.575 18.714 156 HB2 CYS 23 HB2 CYS 23 25.002 27.148 20.437 157 HB3 CYS 23 HB3 CYS 23 25.793 28.709 20.675 158 H TRP 24 H TRP 24 27.863 27.499 17.081 159 HA TRP 24 HA TRP 24 28.717 30.315 17.301 160 HB2 TRP 24 HB2 TRP 24 31.032 29.934 16.774 161 HB3 TRP 24 HB3 TRP 24 30.629 29.146 18.284 162 HD1 TRP 24 HD1 TRP 24 30.784 26.514 18.368 163 HE1 TRP 24 HE1 TRP 24 31.755 24.720 16.840 164 HE3 TRP 24 HE3 TRP 24 31.570 29.359 14.176 165 HZ2 TRP 24 HZ2 TRP 24 32.969 24.576 14.220 166 HZ3 TRP 24 HZ3 TRP 24 32.614 28.342 12.161 167 HH2 TRP 24 HH2 TRP 24 33.337 25.971 12.177 168 H GLY 25 H GLY 25 28.285 27.450 15.220 169 HA2 GLY 25 HA2 GLY 25 28.991 28.860 12.768 170 HA3 GLY 25 HA3 GLY 25 28.291 27.254 12.907 171 H ILE 26 H ILE 26 27.578 29.202 10.939 172 HA ILE 26 HA ILE 26 24.840 30.097 11.537 173 HB ILE 26 HB ILE 26 26.317 29.862 8.889 174 HG12 ILE 26 HG12 ILE 26 27.496 31.464 10.263 175 HG13 ILE 26 HG13 ILE 26 26.620 32.295 9.000 176 HG21 ILE 26 HG21 ILE 26 23.706 31.255 9.601 177 HG22 ILE 26 HG22 ILE 26 24.587 31.458 8.067 178 HG23 ILE 26 HG23 ILE 26 23.926 29.881 8.500 179 HD11 ILE 26 HD11 ILE 26 26.485 33.541 11.080 180 HD12 ILE 26 HD12 ILE 26 24.870 32.938 10.679 181 HD13 ILE 26 HD13 ILE 26 25.833 32.137 11.940 182 H GLN 27 H GLN 27 23.689 28.341 12.218 183 HA GLN 27 HA GLN 27 23.014 26.184 10.410 184 HB2 GLN 27 HB2 GLN 27 25.255 25.492 11.044 185 HB3 GLN 27 HB3 GLN 27 24.884 25.605 12.758 186 HG2 GLN 27 HG2 GLN 27 23.598 23.633 12.733 187 HG3 GLN 27 HG3 GLN 27 23.248 23.783 11.014 188 HE21 GLN 27 HE21 GLN 27 25.717 21.445 10.265 189 HE22 GLN 27 HE22 GLN 27 24.014 21.878 10.194 190 H TYR 28 H TYR 28 21.088 25.326 10.901 191 HA TYR 28 HA TYR 28 19.637 26.351 13.250 192 HB2 TYR 28 HB2 TYR 28 18.683 24.793 10.822 193 HB3 TYR 28 HB3 TYR 28 17.649 25.552 12.019 194 HD1 TYR 28 HD1 TYR 28 18.669 25.946 8.783 195 HD2 TYR 28 HD2 TYR 28 18.404 28.210 12.449 196 HE1 TYR 28 HE1 TYR 28 18.455 28.049 7.471 197 HE2 TYR 28 HE2 TYR 28 18.209 30.306 11.139 198 HH TYR 28 HH TYR 28 18.210 30.327 7.550 199 H LYS 29 H LYS 29 21.460 23.693 13.089 200 HA LYS 29 HA LYS 29 19.610 21.806 14.486 201 HB2 LYS 29 HB2 LYS 29 22.358 21.488 13.231 202 HB3 LYS 29 HB3 LYS 29 21.657 20.273 14.302 203 HG2 LYS 29 HG2 LYS 29 19.617 20.223 12.776 204 HG3 LYS 29 HG3 LYS 29 20.555 21.174 11.616 205 HD2 LYS 29 HD2 LYS 29 21.316 18.438 12.753 206 HD3 LYS 29 HD3 LYS 29 20.630 18.738 11.148 207 HE2 LYS 29 HE2 LYS 29 22.594 20.086 10.530 208 HE3 LYS 29 HE3 LYS 29 23.302 19.845 12.134 209 HZ1 LYS 29 HZ1 LYS 29 22.672 17.613 10.276 210 HZ2 LYS 29 HZ2 LYS 29 24.158 18.322 10.402 211 HZ3 LYS 29 HZ3 LYS 29 23.522 17.525 11.678 212 H TYR 30 H TYR 30 20.540 20.583 16.303 213 HA TYR 30 HA TYR 30 21.272 22.292 18.497 214 HB2 TYR 30 HB2 TYR 30 19.994 20.090 18.577 215 HB3 TYR 30 HB3 TYR 30 21.518 19.269 18.299 216 HD1 TYR 30 HD1 TYR 30 19.756 21.642 20.604 217 HD2 TYR 30 HD2 TYR 30 22.985 18.811 20.157 218 HE1 TYR 30 HE1 TYR 30 20.117 21.669 23.054 219 HE2 TYR 30 HE2 TYR 30 23.363 18.877 22.620 220 HH TYR 30 HH TYR 30 21.620 21.092 24.759 221 H CYS 31 H CYS 31 23.243 22.000 19.866 222 HA CYS 31 HA CYS 31 25.478 22.769 18.350 223 HB2 CYS 31 HB2 CYS 31 25.450 21.778 21.212 224 HB3 CYS 31 HB3 CYS 31 26.708 22.745 20.455 225 H GLN 32 H GLN 32 27.447 21.925 17.911 226 HA GLN 32 HA GLN 32 27.776 18.954 17.923 227 HB2 GLN 32 HB2 GLN 32 29.302 21.043 16.315 228 HB3 GLN 32 HB3 GLN 32 29.448 19.285 16.213 229 HG2 GLN 32 HG2 GLN 32 26.953 19.245 15.617 230 HG3 GLN 32 HG3 GLN 32 27.043 21.002 15.474 231 HE21 GLN 32 HE21 GLN 32 27.385 19.723 12.073 232 HE22 GLN 32 HE22 GLN 32 26.144 19.958 13.320 233 H CYS 33 H CYS 33 30.075 18.225 18.364 234 HA CYS 33 HA CYS 33 31.242 19.852 20.570 235 HB2 CYS 33 HB2 CYS 33 30.998 16.964 21.044 236 HB3 CYS 33 HB3 CYS 33 30.833 18.331 22.162 237 H GLN 34 H GLN 34 33.179 18.829 21.528 238 HA GLN 34 HA GLN 34 35.068 17.551 19.649 239 HB2 GLN 34 HB2 GLN 34 36.679 19.401 19.961 240 HB3 GLN 34 HB3 GLN 34 35.230 19.906 19.114 241 HG2 GLN 34 HG2 GLN 34 34.366 21.044 21.080 242 HG3 GLN 34 HG3 GLN 34 35.629 20.353 22.101 243 HE21 GLN 34 HE21 GLN 34 38.107 22.738 21.097 244 HE22 GLN 34 HE22 GLN 34 37.902 21.091 21.715 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 9.896 30.981 16.725 2 H2 GLY 1 H2 GLY 1 9.998 30.781 15.078 3 H3 GLY 1 H3 GLY 1 11.089 31.721 15.904 4 HA2 GLY 1 HA2 GLY 1 10.781 28.816 16.238 5 HA3 GLY 1 HA3 GLY 1 12.054 29.604 15.290 6 H SER 2 H SER 2 12.877 27.919 17.228 7 HA SER 2 HA SER 2 13.433 29.301 19.720 8 HB2 SER 2 HB2 SER 2 14.431 27.229 20.426 9 HB3 SER 2 HB3 SER 2 12.849 26.908 19.668 10 HG SER 2 HG SER 2 15.289 25.985 19.032 11 H ALA 3 H ALA 3 15.743 29.104 20.606 12 HA ALA 3 HA ALA 3 17.859 29.622 18.589 13 HB1 ALA 3 HB1 ALA 3 17.386 31.172 21.159 14 HB2 ALA 3 HB2 ALA 3 18.727 31.422 20.013 15 HB3 ALA 3 HB3 ALA 3 17.051 31.778 19.516 16 H CYS 4 H CYS 4 20.073 29.298 19.496 17 HA CYS 4 HA CYS 4 20.219 26.710 20.653 18 HB2 CYS 4 HB2 CYS 4 21.746 27.836 19.004 19 HB3 CYS 4 HB3 CYS 4 22.481 28.711 20.335 20 H GLN 5 H GLN 5 20.996 25.908 22.633 21 HA GLN 5 HA GLN 5 20.171 27.379 24.933 22 HB2 GLN 5 HB2 GLN 5 21.494 24.717 24.428 23 HB3 GLN 5 HB3 GLN 5 21.476 25.335 26.072 24 HG2 GLN 5 HG2 GLN 5 18.922 25.138 24.427 25 HG3 GLN 5 HG3 GLN 5 19.545 23.803 25.384 26 HE21 GLN 5 HE21 GLN 5 17.559 25.093 28.032 27 HE22 GLN 5 HE22 GLN 5 17.614 23.875 26.761 28 H PHE 6 H PHE 6 21.262 28.028 26.806 29 HA PHE 6 HA PHE 6 23.505 29.716 26.326 30 HB2 PHE 6 HB2 PHE 6 22.443 28.743 29.006 31 HB3 PHE 6 HB3 PHE 6 23.431 30.143 28.718 32 HD1 PHE 6 HD1 PHE 6 20.019 28.741 28.490 33 HD2 PHE 6 HD2 PHE 6 22.486 32.189 27.674 34 HE1 PHE 6 HE1 PHE 6 17.980 30.141 28.197 35 HE2 PHE 6 HE2 PHE 6 20.453 33.591 27.422 36 HZ PHE 6 HZ PHE 6 18.201 32.557 27.674 37 H TRP 7 H TRP 7 23.367 26.718 28.301 38 HA TRP 7 HA TRP 7 26.022 25.889 27.399 39 HB2 TRP 7 HB2 TRP 7 27.031 25.775 29.652 40 HB3 TRP 7 HB3 TRP 7 26.751 27.402 29.090 41 HD1 TRP 7 HD1 TRP 7 25.335 28.976 30.492 42 HE1 TRP 7 HE1 TRP 7 24.232 28.867 32.805 43 HE3 TRP 7 HE3 TRP 7 25.774 23.947 31.348 44 HZ2 TRP 7 HZ2 TRP 7 23.533 26.835 34.730 45 HZ3 TRP 7 HZ3 TRP 7 24.899 22.952 33.454 46 HH2 TRP 7 HH2 TRP 7 23.759 24.382 35.138 47 H SER 8 H SER 8 22.941 24.962 28.413 48 HA SER 8 HA SER 8 23.476 22.536 29.767 49 HB2 SER 8 HB2 SER 8 21.219 21.895 29.161 50 HB3 SER 8 HB3 SER 8 21.259 23.608 29.597 51 HG SER 8 HG SER 8 20.990 22.416 27.034 52 H CYS 9 H CYS 9 23.739 23.259 26.300 53 HA CYS 9 HA CYS 9 23.863 20.539 25.347 54 HB2 CYS 9 HB2 CYS 9 23.491 22.530 23.884 55 HB3 CYS 9 HB3 CYS 9 25.140 23.067 24.251 56 H ASN 10 H ASN 10 26.406 22.840 26.516 57 HA ASN 10 HA ASN 10 28.589 21.097 25.915 58 HB2 ASN 10 HB2 ASN 10 28.637 23.624 26.438 59 HB3 ASN 10 HB3 ASN 10 28.567 23.182 28.145 60 HD21 ASN 10 HD21 ASN 10 32.082 22.750 28.129 61 HD22 ASN 10 HD22 ASN 10 30.642 23.143 29.048 62 H SER 11 H SER 11 26.695 21.525 28.948 63 HA SER 11 HA SER 11 28.122 19.538 30.441 64 HB2 SER 11 HB2 SER 11 26.647 21.192 31.496 65 HB3 SER 11 HB3 SER 11 25.232 20.403 30.768 66 HG SER 11 HG SER 11 26.073 19.851 33.067 67 H SER 12 H SER 12 25.255 19.204 28.295 68 HA SER 12 HA SER 12 24.810 16.396 28.677 69 HB2 SER 12 HB2 SER 12 23.168 17.787 27.540 70 HB3 SER 12 HB3 SER 12 24.333 18.225 26.284 71 HG SER 12 HG SER 12 22.953 15.816 26.704 72 H CYS 13 H CYS 13 26.894 18.132 26.290 73 HA CYS 13 HA CYS 13 27.829 15.773 25.003 74 HB2 CYS 13 HB2 CYS 13 29.152 18.507 25.381 75 HB3 CYS 13 HB3 CYS 13 29.730 17.297 24.281 76 H ILE 14 H ILE 14 29.244 17.552 27.828 77 HA ILE 14 HA ILE 14 31.480 15.788 28.127 78 HB ILE 14 HB ILE 14 29.978 17.538 30.105 79 HG12 ILE 14 HG12 ILE 14 32.755 17.916 28.858 80 HG13 ILE 14 HG13 ILE 14 31.308 18.553 28.124 81 HG21 ILE 14 HG21 ILE 14 32.600 15.980 30.493 82 HG22 ILE 14 HG22 ILE 14 32.006 17.252 31.584 83 HG23 ILE 14 HG23 ILE 14 31.086 15.772 31.404 84 HD11 ILE 14 HD11 ILE 14 32.342 20.315 29.379 85 HD12 ILE 14 HD12 ILE 14 30.794 19.887 30.156 86 HD13 ILE 14 HD13 ILE 14 32.341 19.345 30.853 87 H SER 15 H SER 15 28.077 15.506 29.343 88 HA SER 15 HA SER 15 28.605 13.030 30.677 89 HB2 SER 15 HB2 SER 15 25.935 13.923 29.506 90 HB3 SER 15 HB3 SER 15 26.192 12.760 30.813 91 HG SER 15 HG SER 15 27.033 14.477 32.099 92 H ARG 16 H ARG 16 27.545 13.612 27.299 93 HA ARG 16 HA ARG 16 27.514 10.862 26.466 94 HB2 ARG 16 HB2 ARG 16 28.282 13.418 24.990 95 HB3 ARG 16 HB3 ARG 16 28.148 11.872 24.191 96 HG2 ARG 16 HG2 ARG 16 25.814 13.278 25.566 97 HG3 ARG 16 HG3 ARG 16 26.231 13.388 23.853 98 HD2 ARG 16 HD2 ARG 16 24.582 11.744 23.875 99 HD3 ARG 16 HD3 ARG 16 26.081 10.823 23.778 100 HE ARG 16 HE ARG 16 25.171 11.324 26.512 101 HH11 ARG 16 HH11 ARG 16 24.854 8.976 23.832 102 HH12 ARG 16 HH12 ARG 16 24.038 7.830 24.858 103 HH21 ARG 16 HH21 ARG 16 24.308 9.780 27.690 104 HH22 ARG 16 HH22 ARG 16 23.876 8.186 27.055 105 H GLY 17 H GLY 17 30.230 12.635 27.599 106 HA2 GLY 17 HA2 GLY 17 32.430 11.883 27.813 107 HA3 GLY 17 HA3 GLY 17 32.114 10.537 26.720 108 H TYR 18 H TYR 18 31.117 13.684 25.612 109 HA TYR 18 HA TYR 18 33.351 13.813 23.632 110 HB2 TYR 18 HB2 TYR 18 30.786 15.410 23.933 111 HB3 TYR 18 HB3 TYR 18 32.040 15.856 22.817 112 HD1 TYR 18 HD1 TYR 18 32.910 13.773 21.273 113 HD2 TYR 18 HD2 TYR 18 28.975 14.228 22.961 114 HE1 TYR 18 HE1 TYR 18 32.006 12.200 19.581 115 HE2 TYR 18 HE2 TYR 18 28.061 12.664 21.249 116 HH TYR 18 HH TYR 18 30.212 10.837 19.068 117 H ARG 19 H ARG 19 34.129 16.273 23.417 118 HA ARG 19 HA ARG 19 35.102 16.962 26.165 119 HB2 ARG 19 HB2 ARG 19 36.300 17.570 23.449 120 HB3 ARG 19 HB3 ARG 19 36.887 18.177 25.007 121 HG2 ARG 19 HG2 ARG 19 37.079 15.780 25.808 122 HG3 ARG 19 HG3 ARG 19 36.709 15.265 24.160 123 HD2 ARG 19 HD2 ARG 19 38.755 16.398 23.341 124 HD3 ARG 19 HD3 ARG 19 39.090 16.970 24.987 125 HE ARG 19 HE ARG 19 38.804 14.043 24.652 126 HH11 ARG 19 HH11 ARG 19 41.254 16.594 24.572 127 HH12 ARG 19 HH12 ARG 19 42.442 15.505 25.271 128 HH21 ARG 19 HH21 ARG 19 40.547 12.750 25.272 129 HH22 ARG 19 HH22 ARG 19 42.104 13.540 25.546 130 H GLN 20 H GLN 20 33.711 18.602 23.312 131 HA GLN 20 HA GLN 20 32.254 20.335 25.193 132 HB2 GLN 20 HB2 GLN 20 34.261 21.535 23.240 133 HB3 GLN 20 HB3 GLN 20 32.869 22.426 23.834 134 HG2 GLN 20 HG2 GLN 20 33.675 22.021 26.193 135 HG3 GLN 20 HG3 GLN 20 35.185 21.418 25.492 136 HE21 GLN 20 HE21 GLN 20 35.285 25.191 26.115 137 HE22 GLN 20 HE22 GLN 20 34.405 23.997 27.087 138 H GLY 21 H GLY 21 30.442 21.272 24.436 139 HA2 GLY 21 HA2 GLY 21 29.654 21.020 21.556 140 HA3 GLY 21 HA3 GLY 21 28.501 20.790 22.870 141 H LYS 22 H LYS 22 29.616 22.968 20.669 142 HA LYS 22 HA LYS 22 28.956 25.401 22.298 143 HB2 LYS 22 HB2 LYS 22 31.174 24.881 20.309 144 HB3 LYS 22 HB3 LYS 22 30.667 26.519 20.754 145 HG2 LYS 22 HG2 LYS 22 31.162 26.127 23.090 146 HG3 LYS 22 HG3 LYS 22 31.531 24.429 22.806 147 HD2 LYS 22 HD2 LYS 22 33.138 26.734 21.616 148 HD3 LYS 22 HD3 LYS 22 33.523 25.899 23.127 149 HE2 LYS 22 HE2 LYS 22 33.523 23.717 21.805 150 HE3 LYS 22 HE3 LYS 22 33.479 24.698 20.329 151 HZ1 LYS 22 HZ1 LYS 22 35.558 24.948 22.431 152 HZ2 LYS 22 HZ2 LYS 22 35.764 24.035 21.085 153 HZ3 LYS 22 HZ3 LYS 22 35.595 25.674 20.960 154 H CYS 23 H CYS 23 27.612 26.868 21.501 155 HA CYS 23 HA CYS 23 25.972 26.333 19.161 156 HB2 CYS 23 HB2 CYS 23 26.168 28.642 21.132 157 HB3 CYS 23 HB3 CYS 23 24.957 28.538 19.849 158 H TRP 24 H TRP 24 27.764 26.306 17.551 159 HA TRP 24 HA TRP 24 28.187 28.972 16.370 160 HB2 TRP 24 HB2 TRP 24 30.467 29.049 16.500 161 HB3 TRP 24 HB3 TRP 24 30.104 28.364 18.064 162 HD1 TRP 24 HD1 TRP 24 30.514 25.636 18.247 163 HE1 TRP 24 HE1 TRP 24 32.306 24.156 17.163 164 HE3 TRP 24 HE3 TRP 24 31.785 28.655 14.310 165 HZ2 TRP 24 HZ2 TRP 24 34.084 24.278 14.896 166 HZ3 TRP 24 HZ3 TRP 24 33.535 27.941 12.699 167 HH2 TRP 24 HH2 TRP 24 34.699 25.766 12.993 168 H GLY 25 H GLY 25 28.890 28.980 14.250 169 HA2 GLY 25 HA2 GLY 25 29.852 27.060 12.628 170 HA3 GLY 25 HA3 GLY 25 28.140 26.646 12.609 171 H ILE 26 H ILE 26 29.879 27.592 10.460 172 HA ILE 26 HA ILE 26 29.149 30.283 9.684 173 HB ILE 26 HB ILE 26 30.268 27.879 8.199 174 HG12 ILE 26 HG12 ILE 26 31.642 30.517 8.889 175 HG13 ILE 26 HG13 ILE 26 31.631 29.156 9.998 176 HG21 ILE 26 HG21 ILE 26 29.868 30.700 7.134 177 HG22 ILE 26 HG22 ILE 26 30.822 29.438 6.330 178 HG23 ILE 26 HG23 ILE 26 29.093 29.221 6.518 179 HD11 ILE 26 HD11 ILE 26 32.855 29.131 7.225 180 HD12 ILE 26 HD12 ILE 26 33.693 29.119 8.782 181 HD13 ILE 26 HD13 ILE 26 32.722 27.715 8.296 182 H GLN 27 H GLN 27 27.796 27.080 9.001 183 HA GLN 27 HA GLN 27 25.354 28.255 7.771 184 HB2 GLN 27 HB2 GLN 27 26.274 25.359 7.987 185 HB3 GLN 27 HB3 GLN 27 24.788 25.937 7.221 186 HG2 GLN 27 HG2 GLN 27 26.353 27.470 5.799 187 HG3 GLN 27 HG3 GLN 27 27.656 26.431 6.345 188 HE21 GLN 27 HE21 GLN 27 26.555 25.213 3.026 189 HE22 GLN 27 HE22 GLN 27 27.363 26.610 3.732 190 H TYR 28 H TYR 28 23.241 27.632 8.564 191 HA TYR 28 HA TYR 28 23.134 27.654 11.495 192 HB2 TYR 28 HB2 TYR 28 20.614 27.680 11.036 193 HB3 TYR 28 HB3 TYR 28 21.589 29.089 10.717 194 HD1 TYR 28 HD1 TYR 28 21.745 30.081 8.546 195 HD2 TYR 28 HD2 TYR 28 19.738 26.303 9.078 196 HE1 TYR 28 HE1 TYR 28 20.711 30.309 6.297 197 HE2 TYR 28 HE2 TYR 28 18.692 26.544 6.832 198 HH TYR 28 HH TYR 28 18.571 27.798 4.912 199 H LYS 29 H LYS 29 22.996 25.983 12.775 200 HA LYS 29 HA LYS 29 21.595 23.540 12.182 201 HB2 LYS 29 HB2 LYS 29 23.734 23.177 10.890 202 HB3 LYS 29 HB3 LYS 29 24.625 23.308 12.423 203 HG2 LYS 29 HG2 LYS 29 23.423 21.317 13.292 204 HG3 LYS 29 HG3 LYS 29 22.434 21.283 11.843 205 HD2 LYS 29 HD2 LYS 29 24.028 19.574 11.574 206 HD3 LYS 29 HD3 LYS 29 24.547 20.886 10.495 207 HE2 LYS 29 HE2 LYS 29 26.223 21.605 12.184 208 HE3 LYS 29 HE3 LYS 29 25.646 20.371 13.300 209 HZ1 LYS 29 HZ1 LYS 29 27.605 19.609 12.142 210 HZ2 LYS 29 HZ2 LYS 29 26.328 18.673 11.692 211 HZ3 LYS 29 HZ3 LYS 29 26.904 19.860 10.672 212 H TYR 30 H TYR 30 20.984 22.568 13.988 213 HA TYR 30 HA TYR 30 21.115 23.600 16.550 214 HB2 TYR 30 HB2 TYR 30 19.494 21.994 15.639 215 HB3 TYR 30 HB3 TYR 30 20.721 20.737 15.632 216 HD1 TYR 30 HD1 TYR 30 18.570 22.868 17.784 217 HD2 TYR 30 HD2 TYR 30 21.259 19.512 17.629 218 HE1 TYR 30 HE1 TYR 30 17.847 22.184 20.061 219 HE2 TYR 30 HE2 TYR 30 20.477 18.779 19.884 220 HH TYR 30 HH TYR 30 17.805 20.400 21.537 221 H CYS 31 H CYS 31 22.105 22.879 18.565 222 HA CYS 31 HA CYS 31 24.910 22.825 18.373 223 HB2 CYS 31 HB2 CYS 31 23.667 23.810 20.204 224 HB3 CYS 31 HB3 CYS 31 23.177 22.227 20.786 225 H GLN 32 H GLN 32 26.423 21.344 18.173 226 HA GLN 32 HA GLN 32 25.960 18.477 18.834 227 HB2 GLN 32 HB2 GLN 32 26.795 19.586 16.129 228 HB3 GLN 32 HB3 GLN 32 26.976 17.890 16.606 229 HG2 GLN 32 HG2 GLN 32 24.583 17.616 16.807 230 HG3 GLN 32 HG3 GLN 32 24.296 19.326 16.515 231 HE21 GLN 32 HE21 GLN 32 23.614 17.800 13.306 232 HE22 GLN 32 HE22 GLN 32 22.849 18.215 14.829 233 H CYS 33 H CYS 33 27.723 17.444 19.584 234 HA CYS 33 HA CYS 33 29.866 19.174 20.482 235 HB2 CYS 33 HB2 CYS 33 29.967 16.263 21.048 236 HB3 CYS 33 HB3 CYS 33 30.185 17.657 22.122 237 H GLN 34 H GLN 34 32.097 18.473 20.727 238 HA GLN 34 HA GLN 34 33.263 16.604 18.757 239 HB2 GLN 34 HB2 GLN 34 34.562 19.255 19.447 240 HB3 GLN 34 HB3 GLN 34 35.106 18.077 18.265 241 HG2 GLN 34 HG2 GLN 34 32.563 19.760 18.021 242 HG3 GLN 34 HG3 GLN 34 34.114 20.176 17.343 243 HE21 GLN 34 HE21 GLN 34 32.086 18.647 14.621 244 HE22 GLN 34 HE22 GLN 34 31.913 20.026 15.687 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 11.097 29.353 18.137 2 H2 GLY 1 H2 GLY 1 11.672 28.083 18.997 3 H3 GLY 1 H3 GLY 1 10.839 27.809 17.611 4 HA2 GLY 1 HA2 GLY 1 12.559 28.779 16.279 5 HA3 GLY 1 HA3 GLY 1 13.437 29.181 17.765 6 H SER 2 H SER 2 14.583 27.563 18.866 7 HA SER 2 HA SER 2 14.478 24.779 17.921 8 HB2 SER 2 HB2 SER 2 16.706 24.625 17.178 9 HB3 SER 2 HB3 SER 2 16.090 26.075 16.384 10 HG SER 2 HG SER 2 17.219 27.342 17.851 11 H ALA 3 H ALA 3 15.983 23.369 19.144 12 HA ALA 3 HA ALA 3 16.072 23.927 21.975 13 HB1 ALA 3 HB1 ALA 3 17.262 21.665 20.325 14 HB2 ALA 3 HB2 ALA 3 17.039 21.670 22.088 15 HB3 ALA 3 HB3 ALA 3 15.624 21.696 21.021 16 H CYS 4 H CYS 4 17.994 25.480 19.862 17 HA CYS 4 HA CYS 4 20.662 24.950 20.666 18 HB2 CYS 4 HB2 CYS 4 19.945 26.174 18.661 19 HB3 CYS 4 HB3 CYS 4 19.344 27.481 19.672 20 H GLN 5 H GLN 5 21.289 24.943 22.804 21 HA GLN 5 HA GLN 5 20.329 26.997 24.686 22 HB2 GLN 5 HB2 GLN 5 22.406 24.845 25.156 23 HB3 GLN 5 HB3 GLN 5 21.566 25.806 26.373 24 HG2 GLN 5 HG2 GLN 5 20.384 23.626 24.613 25 HG3 GLN 5 HG3 GLN 5 20.669 23.563 26.335 26 HE21 GLN 5 HE21 GLN 5 17.178 25.101 24.938 27 HE22 GLN 5 HE22 GLN 5 18.411 24.428 23.876 28 H PHE 6 H PHE 6 21.885 28.338 25.981 29 HA PHE 6 HA PHE 6 23.744 29.777 24.267 30 HB2 PHE 6 HB2 PHE 6 22.316 30.662 26.208 31 HB3 PHE 6 HB3 PHE 6 23.509 30.003 27.289 32 HD1 PHE 6 HD1 PHE 6 22.542 32.850 25.416 33 HD2 PHE 6 HD2 PHE 6 26.053 30.791 26.846 34 HE1 PHE 6 HE1 PHE 6 23.859 34.947 25.213 35 HE2 PHE 6 HE2 PHE 6 27.367 32.864 26.608 36 HZ PHE 6 HZ PHE 6 26.281 34.953 25.782 37 H TRP 7 H TRP 7 24.164 27.845 27.212 38 HA TRP 7 HA TRP 7 26.784 26.774 26.252 39 HB2 TRP 7 HB2 TRP 7 27.876 27.290 28.348 40 HB3 TRP 7 HB3 TRP 7 27.256 28.787 27.671 41 HD1 TRP 7 HD1 TRP 7 25.340 30.029 29.006 42 HE1 TRP 7 HE1 TRP 7 24.276 29.775 31.310 43 HE3 TRP 7 HE3 TRP 7 27.340 25.490 30.301 44 HZ2 TRP 7 HZ2 TRP 7 24.263 27.825 33.450 45 HZ3 TRP 7 HZ3 TRP 7 26.748 24.439 32.470 46 HH2 TRP 7 HH2 TRP 7 25.216 25.592 34.047 47 H SER 8 H SER 8 23.855 26.270 28.078 48 HA SER 8 HA SER 8 24.758 24.111 29.669 49 HB2 SER 8 HB2 SER 8 21.928 24.624 28.707 50 HB3 SER 8 HB3 SER 8 22.423 23.658 30.113 51 HG SER 8 HG SER 8 23.390 25.563 30.963 52 H CYS 9 H CYS 9 24.319 24.038 26.248 53 HA CYS 9 HA CYS 9 23.743 21.227 25.911 54 HB2 CYS 9 HB2 CYS 9 23.700 22.919 24.061 55 HB3 CYS 9 HB3 CYS 9 25.452 23.099 24.238 56 H ASN 10 H ASN 10 26.653 22.998 26.981 57 HA ASN 10 HA ASN 10 28.608 21.098 26.311 58 HB2 ASN 10 HB2 ASN 10 28.909 23.460 27.224 59 HB3 ASN 10 HB3 ASN 10 28.582 22.811 28.837 60 HD21 ASN 10 HD21 ASN 10 31.986 21.895 29.107 61 HD22 ASN 10 HD22 ASN 10 30.538 22.535 29.896 62 H SER 11 H SER 11 26.599 21.158 29.323 63 HA SER 11 HA SER 11 27.718 18.787 30.469 64 HB2 SER 11 HB2 SER 11 24.882 19.804 30.799 65 HB3 SER 11 HB3 SER 11 25.816 18.812 31.936 66 HG SER 11 HG SER 11 27.124 20.528 32.374 67 H SER 12 H SER 12 25.117 19.232 28.067 68 HA SER 12 HA SER 12 24.213 16.486 28.018 69 HB2 SER 12 HB2 SER 12 24.105 18.634 25.849 70 HB3 SER 12 HB3 SER 12 23.248 17.095 25.823 71 HG SER 12 HG SER 12 22.038 17.690 27.518 72 H CYS 13 H CYS 13 26.682 18.312 26.136 73 HA CYS 13 HA CYS 13 27.517 16.097 24.530 74 HB2 CYS 13 HB2 CYS 13 28.926 18.643 25.416 75 HB3 CYS 13 HB3 CYS 13 29.594 17.513 24.257 76 H ILE 14 H ILE 14 28.891 17.345 27.659 77 HA ILE 14 HA ILE 14 30.968 15.388 27.812 78 HB ILE 14 HB ILE 14 29.554 16.973 29.975 79 HG12 ILE 14 HG12 ILE 14 32.361 17.345 28.821 80 HG13 ILE 14 HG13 ILE 14 30.971 18.143 28.117 81 HG21 ILE 14 HG21 ILE 14 31.489 16.408 31.440 82 HG22 ILE 14 HG22 ILE 14 30.595 14.963 31.004 83 HG23 ILE 14 HG23 ILE 14 32.125 15.325 30.184 84 HD11 ILE 14 HD11 ILE 14 32.096 19.666 29.611 85 HD12 ILE 14 HD12 ILE 14 30.487 19.287 30.258 86 HD13 ILE 14 HD13 ILE 14 31.942 18.548 30.970 87 H SER 15 H SER 15 27.531 15.174 28.839 88 HA SER 15 HA SER 15 27.742 12.563 29.941 89 HB2 SER 15 HB2 SER 15 25.715 13.859 30.277 90 HB3 SER 15 HB3 SER 15 25.442 13.982 28.535 91 HG SER 15 HG SER 15 25.215 11.713 30.216 92 H ARG 16 H ARG 16 27.473 13.510 26.506 93 HA ARG 16 HA ARG 16 27.395 10.708 25.584 94 HB2 ARG 16 HB2 ARG 16 28.012 13.233 24.035 95 HB3 ARG 16 HB3 ARG 16 27.613 11.664 23.352 96 HG2 ARG 16 HG2 ARG 16 25.732 13.502 24.878 97 HG3 ARG 16 HG3 ARG 16 25.789 13.231 23.157 98 HD2 ARG 16 HD2 ARG 16 23.958 12.000 23.925 99 HD3 ARG 16 HD3 ARG 16 25.213 10.783 23.617 100 HE ARG 16 HE ARG 16 25.397 11.563 26.331 101 HH11 ARG 16 HH11 ARG 16 23.057 9.849 24.309 102 HH12 ARG 16 HH12 ARG 16 22.521 8.890 25.694 103 HH21 ARG 16 HH21 ARG 16 24.586 10.278 27.979 104 HH22 ARG 16 HH22 ARG 16 23.332 9.100 27.584 105 H GLY 17 H GLY 17 29.852 12.325 27.085 106 HA2 GLY 17 HA2 GLY 17 32.028 11.590 27.379 107 HA3 GLY 17 HA3 GLY 17 31.863 10.488 26.014 108 H TYR 18 H TYR 18 31.121 13.915 25.603 109 HA TYR 18 HA TYR 18 33.484 14.250 23.805 110 HB2 TYR 18 HB2 TYR 18 31.024 15.921 24.303 111 HB3 TYR 18 HB3 TYR 18 32.310 16.386 23.221 112 HD1 TYR 18 HD1 TYR 18 32.931 14.583 21.327 113 HD2 TYR 18 HD2 TYR 18 29.128 14.955 23.314 114 HE1 TYR 18 HE1 TYR 18 31.770 13.789 19.281 115 HE2 TYR 18 HE2 TYR 18 27.971 14.138 21.268 116 HH TYR 18 HH TYR 18 29.749 13.342 18.272 117 H ARG 19 H ARG 19 34.557 16.405 23.938 118 HA ARG 19 HA ARG 19 35.420 16.971 26.742 119 HB2 ARG 19 HB2 ARG 19 36.426 18.115 24.102 120 HB3 ARG 19 HB3 ARG 19 37.101 18.449 25.697 121 HG2 ARG 19 HG2 ARG 19 37.537 15.952 25.939 122 HG3 ARG 19 HG3 ARG 19 37.085 15.790 24.242 123 HD2 ARG 19 HD2 ARG 19 39.409 17.371 25.389 124 HD3 ARG 19 HD3 ARG 19 39.517 15.894 24.439 125 HE ARG 19 HE ARG 19 39.241 18.619 23.482 126 HH11 ARG 19 HH11 ARG 19 38.619 15.304 22.388 127 HH12 ARG 19 HH12 ARG 19 38.365 15.890 20.747 128 HH21 ARG 19 HH21 ARG 19 39.078 19.127 21.378 129 HH22 ARG 19 HH22 ARG 19 38.617 17.895 20.210 130 H GLN 20 H GLN 20 33.962 18.776 24.075 131 HA GLN 20 HA GLN 20 32.841 20.829 25.873 132 HB2 GLN 20 HB2 GLN 20 35.104 21.637 25.392 133 HB3 GLN 20 HB3 GLN 20 34.875 21.327 23.683 134 HG2 GLN 20 HG2 GLN 20 34.746 23.631 23.894 135 HG3 GLN 20 HG3 GLN 20 33.089 23.143 23.646 136 HE21 GLN 20 HE21 GLN 20 33.043 25.736 26.272 137 HE22 GLN 20 HE22 GLN 20 33.316 25.611 24.542 138 H GLY 21 H GLY 21 30.930 21.754 24.966 139 HA2 GLY 21 HA2 GLY 21 30.186 21.028 22.146 140 HA3 GLY 21 HA3 GLY 21 29.058 21.030 23.486 141 H LYS 22 H LYS 22 29.050 22.474 20.885 142 HA LYS 22 HA LYS 22 28.616 25.280 21.802 143 HB2 LYS 22 HB2 LYS 22 29.985 26.008 19.840 144 HB3 LYS 22 HB3 LYS 22 30.879 25.264 21.164 145 HG2 LYS 22 HG2 LYS 22 30.921 23.087 19.857 146 HG3 LYS 22 HG3 LYS 22 30.174 23.935 18.500 147 HD2 LYS 22 HD2 LYS 22 32.829 24.692 19.798 148 HD3 LYS 22 HD3 LYS 22 32.645 23.650 18.376 149 HE2 LYS 22 HE2 LYS 22 31.518 25.446 17.155 150 HE3 LYS 22 HE3 LYS 22 31.654 26.521 18.552 151 HZ1 LYS 22 HZ1 LYS 22 34.074 26.404 18.340 152 HZ2 LYS 22 HZ2 LYS 22 33.973 25.305 17.137 153 HZ3 LYS 22 HZ3 LYS 22 33.467 26.828 16.855 154 H CYS 23 H CYS 23 26.875 26.230 20.972 155 HA CYS 23 HA CYS 23 25.640 25.185 18.465 156 HB2 CYS 23 HB2 CYS 23 24.227 25.171 20.545 157 HB3 CYS 23 HB3 CYS 23 24.331 26.931 20.543 158 H TRP 24 H TRP 24 27.917 26.521 18.059 159 HA TRP 24 HA TRP 24 27.068 28.650 16.313 160 HB2 TRP 24 HB2 TRP 24 28.380 30.418 17.138 161 HB3 TRP 24 HB3 TRP 24 27.555 29.824 18.564 162 HD1 TRP 24 HD1 TRP 24 29.065 28.426 20.316 163 HE1 TRP 24 HE1 TRP 24 31.578 28.356 20.778 164 HE3 TRP 24 HE3 TRP 24 30.756 30.844 16.112 165 HZ2 TRP 24 HZ2 TRP 24 34.024 29.106 19.449 166 HZ3 TRP 24 HZ3 TRP 24 33.184 31.131 15.741 167 HH2 TRP 24 HH2 TRP 24 34.827 30.244 17.376 168 H GLY 25 H GLY 25 29.004 29.280 14.909 169 HA2 GLY 25 HA2 GLY 25 31.368 28.819 14.415 170 HA3 GLY 25 HA3 GLY 25 31.092 27.120 14.761 171 H ILE 26 H ILE 26 29.840 25.852 13.249 172 HA ILE 26 HA ILE 26 29.466 27.086 10.551 173 HB ILE 26 HB ILE 26 31.268 25.361 10.818 174 HG12 ILE 26 HG12 ILE 26 29.195 24.498 8.779 175 HG13 ILE 26 HG13 ILE 26 30.034 26.041 8.661 176 HG21 ILE 26 HG21 ILE 26 28.940 23.390 10.964 177 HG22 ILE 26 HG22 ILE 26 30.665 22.992 10.864 178 HG23 ILE 26 HG23 ILE 26 30.034 23.782 12.309 179 HD11 ILE 26 HD11 ILE 26 31.376 23.310 8.681 180 HD12 ILE 26 HD12 ILE 26 31.161 24.387 7.289 181 HD13 ILE 26 HD13 ILE 26 32.219 24.878 8.627 182 H GLN 27 H GLN 27 27.733 26.079 13.167 183 HA GLN 27 HA GLN 27 25.210 26.335 11.693 184 HB2 GLN 27 HB2 GLN 27 25.924 23.931 13.435 185 HB3 GLN 27 HB3 GLN 27 24.275 24.522 13.312 186 HG2 GLN 27 HG2 GLN 27 24.644 24.375 10.712 187 HG3 GLN 27 HG3 GLN 27 25.978 23.305 11.135 188 HE21 GLN 27 HE21 GLN 27 23.745 20.587 11.775 189 HE22 GLN 27 HE22 GLN 27 25.428 21.143 11.733 190 H TYR 28 H TYR 28 23.645 27.386 12.907 191 HA TYR 28 HA TYR 28 24.478 28.347 15.626 192 HB2 TYR 28 HB2 TYR 28 23.338 29.943 13.310 193 HB3 TYR 28 HB3 TYR 28 23.497 30.550 14.948 194 HD1 TYR 28 HD1 TYR 28 25.579 31.360 15.807 195 HD2 TYR 28 HD2 TYR 28 25.450 29.323 12.007 196 HE1 TYR 28 HE1 TYR 28 27.976 31.938 15.403 197 HE2 TYR 28 HE2 TYR 28 27.861 29.834 11.647 198 HH TYR 28 HH TYR 28 29.786 30.598 12.648 199 H LYS 29 H LYS 29 22.021 26.713 13.971 200 HA LYS 29 HA LYS 29 20.075 27.225 16.201 201 HB2 LYS 29 HB2 LYS 29 19.474 25.893 13.547 202 HB3 LYS 29 HB3 LYS 29 18.333 26.446 14.761 203 HG2 LYS 29 HG2 LYS 29 20.017 28.171 12.897 204 HG3 LYS 29 HG3 LYS 29 18.276 27.920 12.855 205 HD2 LYS 29 HD2 LYS 29 18.154 28.999 15.161 206 HD3 LYS 29 HD3 LYS 29 19.870 29.415 14.965 207 HE2 LYS 29 HE2 LYS 29 19.319 30.629 12.866 208 HE3 LYS 29 HE3 LYS 29 17.607 30.291 13.137 209 HZ1 LYS 29 HZ1 LYS 29 19.327 31.860 14.998 210 HZ2 LYS 29 HZ2 LYS 29 18.282 32.509 13.931 211 HZ3 LYS 29 HZ3 LYS 29 17.714 31.618 15.168 212 H TYR 30 H TYR 30 22.547 25.246 15.656 213 HA TYR 30 HA TYR 30 21.356 22.947 17.080 214 HB2 TYR 30 HB2 TYR 30 20.986 22.378 14.776 215 HB3 TYR 30 HB3 TYR 30 22.617 22.850 14.333 216 HD1 TYR 30 HD1 TYR 30 20.592 20.252 16.046 217 HD2 TYR 30 HD2 TYR 30 24.513 21.411 14.664 218 HE1 TYR 30 HE1 TYR 30 21.392 17.889 16.302 219 HE2 TYR 30 HE2 TYR 30 25.300 19.066 14.920 220 HH TYR 30 HH TYR 30 24.496 16.883 15.060 221 H CYS 31 H CYS 31 22.671 22.030 18.491 222 HA CYS 31 HA CYS 31 25.417 22.986 18.802 223 HB2 CYS 31 HB2 CYS 31 23.786 22.952 20.672 224 HB3 CYS 31 HB3 CYS 31 23.682 21.201 20.510 225 H GLN 32 H GLN 32 27.232 21.873 18.474 226 HA GLN 32 HA GLN 32 27.219 18.911 18.293 227 HB2 GLN 32 HB2 GLN 32 28.734 18.837 16.493 228 HB3 GLN 32 HB3 GLN 32 27.382 19.837 15.977 229 HG2 GLN 32 HG2 GLN 32 28.730 21.872 16.275 230 HG3 GLN 32 HG3 GLN 32 30.047 20.944 16.983 231 HE21 GLN 32 HE21 GLN 32 31.532 20.375 13.840 232 HE22 GLN 32 HE22 GLN 32 31.696 20.466 15.590 233 H CYS 33 H CYS 33 29.585 18.074 18.622 234 HA CYS 33 HA CYS 33 30.927 19.736 20.685 235 HB2 CYS 33 HB2 CYS 33 30.533 16.917 21.345 236 HB3 CYS 33 HB3 CYS 33 30.531 18.324 22.408 237 H GLN 34 H GLN 34 32.877 18.808 21.569 238 HA GLN 34 HA GLN 34 34.653 17.985 19.369 239 HB2 GLN 34 HB2 GLN 34 35.471 18.930 22.118 240 HB3 GLN 34 HB3 GLN 34 36.424 18.907 20.641 241 HG2 GLN 34 HG2 GLN 34 34.103 20.779 21.245 242 HG3 GLN 34 HG3 GLN 34 35.807 21.159 21.303 243 HE21 GLN 34 HE21 GLN 34 34.972 22.643 18.156 244 HE22 GLN 34 HE22 GLN 34 35.144 22.945 19.891 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 11.656 26.108 15.532 2 H2 GLY 1 H2 GLY 1 10.981 25.541 16.924 3 H3 GLY 1 H3 GLY 1 10.388 25.065 15.462 4 HA2 GLY 1 HA2 GLY 1 11.669 23.273 16.319 5 HA3 GLY 1 HA3 GLY 1 12.516 24.008 14.939 6 H SER 2 H SER 2 14.506 23.069 15.830 7 HA SER 2 HA SER 2 15.281 23.672 18.518 8 HB2 SER 2 HB2 SER 2 17.315 22.454 18.010 9 HB3 SER 2 HB3 SER 2 15.891 21.601 17.482 10 HG SER 2 HG SER 2 17.390 21.441 15.916 11 H ALA 3 H ALA 3 16.900 24.872 19.403 12 HA ALA 3 HA ALA 3 18.520 26.754 17.829 13 HB1 ALA 3 HB1 ALA 3 16.456 27.724 19.862 14 HB2 ALA 3 HB2 ALA 3 17.651 28.734 19.019 15 HB3 ALA 3 HB3 ALA 3 16.357 27.946 18.106 16 H CYS 4 H CYS 4 20.194 27.797 19.125 17 HA CYS 4 HA CYS 4 21.435 26.010 20.927 18 HB2 CYS 4 HB2 CYS 4 21.968 28.921 20.269 19 HB3 CYS 4 HB3 CYS 4 23.044 27.943 21.253 20 H GLN 5 H GLN 5 22.384 26.478 23.025 21 HA GLN 5 HA GLN 5 20.781 28.098 24.926 22 HB2 GLN 5 HB2 GLN 5 21.534 25.169 25.200 23 HB3 GLN 5 HB3 GLN 5 21.021 26.157 26.558 24 HG2 GLN 5 HG2 GLN 5 19.272 25.716 24.099 25 HG3 GLN 5 HG3 GLN 5 19.262 24.692 25.522 26 HE21 GLN 5 HE21 GLN 5 16.589 26.805 26.559 27 HE22 GLN 5 HE22 GLN 5 16.924 25.303 25.680 28 H PHE 6 H PHE 6 21.885 28.475 27.007 29 HA PHE 6 HA PHE 6 24.463 29.572 26.584 30 HB2 PHE 6 HB2 PHE 6 22.975 28.948 29.148 31 HB3 PHE 6 HB3 PHE 6 24.406 29.954 29.047 32 HD1 PHE 6 HD1 PHE 6 21.991 30.897 30.361 33 HD2 PHE 6 HD2 PHE 6 23.124 31.228 26.204 34 HE1 PHE 6 HE1 PHE 6 20.630 32.958 30.144 35 HE2 PHE 6 HE2 PHE 6 21.764 33.267 25.995 36 HZ PHE 6 HZ PHE 6 20.521 34.161 27.962 37 H TRP 7 H TRP 7 23.644 26.714 28.611 38 HA TRP 7 HA TRP 7 26.290 25.530 27.988 39 HB2 TRP 7 HB2 TRP 7 26.694 25.123 30.461 40 HB3 TRP 7 HB3 TRP 7 26.904 26.758 29.885 41 HD1 TRP 7 HD1 TRP 7 25.694 28.632 31.065 42 HE1 TRP 7 HE1 TRP 7 24.108 28.834 33.068 43 HE3 TRP 7 HE3 TRP 7 24.439 23.685 31.619 44 HZ2 TRP 7 HZ2 TRP 7 22.364 27.114 34.578 45 HZ3 TRP 7 HZ3 TRP 7 22.808 23.006 33.356 46 HH2 TRP 7 HH2 TRP 7 21.769 24.698 34.846 47 H SER 8 H SER 8 22.980 25.028 28.592 48 HA SER 8 HA SER 8 22.959 22.328 29.444 49 HB2 SER 8 HB2 SER 8 20.950 23.715 29.221 50 HB3 SER 8 HB3 SER 8 21.140 23.735 27.462 51 HG SER 8 HG SER 8 20.530 21.513 29.145 52 H CYS 9 H CYS 9 23.762 23.596 26.188 53 HA CYS 9 HA CYS 9 23.676 21.035 24.835 54 HB2 CYS 9 HB2 CYS 9 25.330 23.512 24.232 55 HB3 CYS 9 HB3 CYS 9 25.124 22.127 23.194 56 H ASN 10 H ASN 10 26.302 22.911 26.439 57 HA ASN 10 HA ASN 10 28.340 20.954 25.889 58 HB2 ASN 10 HB2 ASN 10 28.754 23.384 26.400 59 HB3 ASN 10 HB3 ASN 10 28.274 23.076 28.073 60 HD21 ASN 10 HD21 ASN 10 31.737 22.536 28.595 61 HD22 ASN 10 HD22 ASN 10 30.390 23.685 28.804 62 H SER 11 H SER 11 26.271 21.499 28.777 63 HA SER 11 HA SER 11 27.354 19.445 30.402 64 HB2 SER 11 HB2 SER 11 25.743 21.191 31.118 65 HB3 SER 11 HB3 SER 11 24.452 20.351 30.255 66 HG SER 11 HG SER 11 24.987 19.964 32.651 67 H SER 12 H SER 12 24.708 19.181 27.940 68 HA SER 12 HA SER 12 24.407 16.344 28.221 69 HB2 SER 12 HB2 SER 12 22.722 17.720 27.149 70 HB3 SER 12 HB3 SER 12 23.842 18.101 25.819 71 HG SER 12 HG SER 12 23.595 16.149 25.015 72 H CYS 13 H CYS 13 26.457 18.243 25.885 73 HA CYS 13 HA CYS 13 27.613 16.081 24.518 74 HB2 CYS 13 HB2 CYS 13 28.865 18.735 25.342 75 HB3 CYS 13 HB3 CYS 13 29.596 17.616 24.243 76 H ILE 14 H ILE 14 28.771 17.547 27.597 77 HA ILE 14 HA ILE 14 31.031 15.874 27.987 78 HB ILE 14 HB ILE 14 29.214 17.438 29.844 79 HG12 ILE 14 HG12 ILE 14 32.129 17.904 29.032 80 HG13 ILE 14 HG13 ILE 14 30.782 18.572 28.136 81 HG21 ILE 14 HG21 ILE 14 30.871 17.150 31.646 82 HG22 ILE 14 HG22 ILE 14 30.173 15.609 31.210 83 HG23 ILE 14 HG23 ILE 14 31.806 16.035 30.633 84 HD11 ILE 14 HD11 ILE 14 30.000 19.786 30.171 85 HD12 ILE 14 HD12 ILE 14 31.464 19.226 31.019 86 HD13 ILE 14 HD13 ILE 14 31.611 20.271 29.604 87 H SER 15 H SER 15 27.585 15.312 28.876 88 HA SER 15 HA SER 15 28.162 12.762 30.110 89 HB2 SER 15 HB2 SER 15 25.841 12.448 30.300 90 HB3 SER 15 HB3 SER 15 26.062 14.197 30.470 91 HG SER 15 HG SER 15 25.474 14.346 28.215 92 H ARG 16 H ARG 16 27.385 13.643 26.744 93 HA ARG 16 HA ARG 16 27.443 10.886 25.783 94 HB2 ARG 16 HB2 ARG 16 27.762 13.494 24.264 95 HB3 ARG 16 HB3 ARG 16 27.424 11.914 23.566 96 HG2 ARG 16 HG2 ARG 16 25.570 13.691 25.171 97 HG3 ARG 16 HG3 ARG 16 25.450 13.176 23.518 98 HD2 ARG 16 HD2 ARG 16 23.944 11.705 24.351 99 HD3 ARG 16 HD3 ARG 16 25.375 10.734 24.671 100 HE ARG 16 HE ARG 16 24.517 12.621 26.805 101 HH11 ARG 16 HH11 ARG 16 23.967 9.366 25.675 102 HH12 ARG 16 HH12 ARG 16 23.790 8.748 27.298 103 HH21 ARG 16 HH21 ARG 16 24.170 11.845 28.752 104 HH22 ARG 16 HH22 ARG 16 23.829 10.136 29.019 105 H GLY 17 H GLY 17 29.931 12.505 27.148 106 HA2 GLY 17 HA2 GLY 17 32.095 11.711 27.348 107 HA3 GLY 17 HA3 GLY 17 31.858 10.653 25.956 108 H TYR 18 H TYR 18 31.174 14.074 25.575 109 HA TYR 18 HA TYR 18 33.594 14.441 23.865 110 HB2 TYR 18 HB2 TYR 18 31.041 16.019 24.223 111 HB3 TYR 18 HB3 TYR 18 32.361 16.558 23.218 112 HD1 TYR 18 HD1 TYR 18 29.385 14.582 23.333 113 HD2 TYR 18 HD2 TYR 18 33.148 15.024 21.280 114 HE1 TYR 18 HE1 TYR 18 28.461 13.346 21.387 115 HE2 TYR 18 HE2 TYR 18 32.224 13.772 19.332 116 HH TYR 18 HH TYR 18 28.849 12.544 19.298 117 H ARG 19 H ARG 19 34.410 16.800 23.996 118 HA ARG 19 HA ARG 19 35.192 17.308 26.861 119 HB2 ARG 19 HB2 ARG 19 36.557 17.996 24.223 120 HB3 ARG 19 HB3 ARG 19 37.006 18.703 25.762 121 HG2 ARG 19 HG2 ARG 19 38.540 16.980 25.481 122 HG3 ARG 19 HG3 ARG 19 37.384 16.360 26.667 123 HD2 ARG 19 HD2 ARG 19 36.276 15.051 24.821 124 HD3 ARG 19 HD3 ARG 19 37.496 15.678 23.698 125 HE ARG 19 HE ARG 19 38.861 14.471 25.882 126 HH11 ARG 19 HH11 ARG 19 36.936 13.386 23.131 127 HH12 ARG 19 HH12 ARG 19 37.617 11.764 23.268 128 HH21 ARG 19 HH21 ARG 19 39.632 12.505 25.913 129 HH22 ARG 19 HH22 ARG 19 39.087 11.278 24.765 130 H GLN 20 H GLN 20 34.010 18.983 23.914 131 HA GLN 20 HA GLN 20 32.767 21.035 25.664 132 HB2 GLN 20 HB2 GLN 20 35.036 21.870 25.233 133 HB3 GLN 20 HB3 GLN 20 34.795 21.667 23.499 134 HG2 GLN 20 HG2 GLN 20 34.518 23.992 23.997 135 HG3 GLN 20 HG3 GLN 20 32.945 23.367 23.577 136 HE21 GLN 20 HE21 GLN 20 31.659 24.793 26.544 137 HE22 GLN 20 HE22 GLN 20 31.360 24.310 24.880 138 H GLY 21 H GLY 21 30.703 21.076 25.068 139 HA2 GLY 21 HA2 GLY 21 29.749 20.935 22.299 140 HA3 GLY 21 HA3 GLY 21 28.802 21.299 23.724 141 H LYS 22 H LYS 22 29.419 22.580 20.899 142 HA LYS 22 HA LYS 22 29.414 25.413 21.860 143 HB2 LYS 22 HB2 LYS 22 30.969 24.202 19.563 144 HB3 LYS 22 HB3 LYS 22 30.542 25.918 19.604 145 HG2 LYS 22 HG2 LYS 22 31.577 26.097 21.886 146 HG3 LYS 22 HG3 LYS 22 32.136 24.429 21.733 147 HD2 LYS 22 HD2 LYS 22 32.915 26.717 19.874 148 HD3 LYS 22 HD3 LYS 22 33.862 26.139 21.254 149 HE2 LYS 22 HE2 LYS 22 33.802 23.827 20.162 150 HE3 LYS 22 HE3 LYS 22 33.186 24.629 18.707 151 HZ1 LYS 22 HZ1 LYS 22 35.220 26.038 18.768 152 HZ2 LYS 22 HZ2 LYS 22 35.757 25.217 20.092 153 HZ3 LYS 22 HZ3 LYS 22 35.649 24.454 18.659 154 H CYS 23 H CYS 23 28.229 26.889 20.608 155 HA CYS 23 HA CYS 23 25.774 25.793 19.425 156 HB2 CYS 23 HB2 CYS 23 25.611 27.754 20.839 157 HB3 CYS 23 HB3 CYS 23 26.814 28.607 19.873 158 H TRP 24 H TRP 24 28.634 27.676 18.240 159 HA TRP 24 HA TRP 24 27.467 27.908 15.620 160 HB2 TRP 24 HB2 TRP 24 29.052 29.397 15.180 161 HB3 TRP 24 HB3 TRP 24 29.227 29.420 16.919 162 HD1 TRP 24 HD1 TRP 24 31.455 28.284 17.909 163 HE1 TRP 24 HE1 TRP 24 33.760 27.829 16.885 164 HE3 TRP 24 HE3 TRP 24 30.227 28.697 12.947 165 HZ2 TRP 24 HZ2 TRP 24 34.951 27.813 14.263 166 HZ3 TRP 24 HZ3 TRP 24 31.992 28.537 11.208 167 HH2 TRP 24 HH2 TRP 24 34.359 28.132 11.860 168 H GLY 25 H GLY 25 28.142 27.135 13.619 169 HA2 GLY 25 HA2 GLY 25 30.223 25.369 13.063 170 HA3 GLY 25 HA3 GLY 25 28.852 24.349 13.487 171 H ILE 26 H ILE 26 30.218 24.549 10.967 172 HA ILE 26 HA ILE 26 28.587 26.100 9.128 173 HB ILE 26 HB ILE 26 31.064 25.846 9.078 174 HG12 ILE 26 HG12 ILE 26 29.807 25.144 6.405 175 HG13 ILE 26 HG13 ILE 26 29.636 26.711 7.198 176 HG21 ILE 26 HG21 ILE 26 32.143 23.953 8.076 177 HG22 ILE 26 HG22 ILE 26 31.134 23.344 9.396 178 HG23 ILE 26 HG23 ILE 26 30.594 23.178 7.712 179 HD11 ILE 26 HD11 ILE 26 32.115 26.967 7.201 180 HD12 ILE 26 HD12 ILE 26 32.252 25.441 6.295 181 HD13 ILE 26 HD13 ILE 26 31.421 26.833 5.580 182 H GLN 27 H GLN 27 27.139 23.920 10.533 183 HA GLN 27 HA GLN 27 26.122 22.463 8.130 184 HB2 GLN 27 HB2 GLN 27 26.721 21.195 10.819 185 HB3 GLN 27 HB3 GLN 27 25.930 20.418 9.444 186 HG2 GLN 27 HG2 GLN 27 28.001 20.671 8.105 187 HG3 GLN 27 HG3 GLN 27 28.805 21.423 9.491 188 HE21 GLN 27 HE21 GLN 27 28.179 17.365 9.548 189 HE22 GLN 27 HE22 GLN 27 27.376 18.329 8.308 190 H TYR 28 H TYR 28 25.290 23.084 11.615 191 HA TYR 28 HA TYR 28 22.404 23.017 10.783 192 HB2 TYR 28 HB2 TYR 28 23.593 21.874 13.321 193 HB3 TYR 28 HB3 TYR 28 21.938 21.716 12.762 194 HD1 TYR 28 HD1 TYR 28 25.219 20.255 12.741 195 HD2 TYR 28 HD2 TYR 28 21.505 20.411 10.558 196 HE1 TYR 28 HE1 TYR 28 25.821 18.143 11.550 197 HE2 TYR 28 HE2 TYR 28 22.112 18.323 9.368 198 HH TYR 28 HH TYR 28 23.588 16.567 9.264 199 H LYS 29 H LYS 29 20.862 23.958 12.182 200 HA LYS 29 HA LYS 29 21.580 26.560 13.271 201 HB2 LYS 29 HB2 LYS 29 19.201 26.841 13.553 202 HB3 LYS 29 HB3 LYS 29 19.516 26.113 11.975 203 HG2 LYS 29 HG2 LYS 29 18.985 23.852 12.987 204 HG3 LYS 29 HG3 LYS 29 18.551 24.674 14.496 205 HD2 LYS 29 HD2 LYS 29 16.862 26.013 13.191 206 HD3 LYS 29 HD3 LYS 29 17.200 24.994 11.782 207 HE2 LYS 29 HE2 LYS 29 16.200 24.051 14.507 208 HE3 LYS 29 HE3 LYS 29 15.195 24.264 13.068 209 HZ1 LYS 29 HZ1 LYS 29 15.785 21.969 13.361 210 HZ2 LYS 29 HZ2 LYS 29 16.533 22.509 11.987 211 HZ3 LYS 29 HZ3 LYS 29 17.394 22.276 13.351 212 H TYR 30 H TYR 30 21.848 23.603 14.726 213 HA TYR 30 HA TYR 30 21.345 24.653 17.472 214 HB2 TYR 30 HB2 TYR 30 19.596 23.076 16.737 215 HB3 TYR 30 HB3 TYR 30 20.819 21.862 16.405 216 HD1 TYR 30 HD1 TYR 30 19.189 23.839 19.095 217 HD2 TYR 30 HD2 TYR 30 21.696 20.475 18.195 218 HE1 TYR 30 HE1 TYR 30 18.919 23.032 21.435 219 HE2 TYR 30 HE2 TYR 30 21.422 19.648 20.547 220 HH TYR 30 HH TYR 30 19.471 21.437 22.969 221 H CYS 31 H CYS 31 22.503 23.223 19.114 222 HA CYS 31 HA CYS 31 25.272 23.649 18.838 223 HB2 CYS 31 HB2 CYS 31 23.649 21.927 20.743 224 HB3 CYS 31 HB3 CYS 31 25.346 22.325 20.972 225 H GLN 32 H GLN 32 27.017 22.254 18.962 226 HA GLN 32 HA GLN 32 26.786 19.411 18.231 227 HB2 GLN 32 HB2 GLN 32 28.385 19.594 16.413 228 HB3 GLN 32 HB3 GLN 32 26.946 20.550 16.063 229 HG2 GLN 32 HG2 GLN 32 28.186 22.630 16.717 230 HG3 GLN 32 HG3 GLN 32 29.612 21.651 17.071 231 HE21 GLN 32 HE21 GLN 32 30.644 22.454 13.773 232 HE22 GLN 32 HE22 GLN 32 30.869 22.794 15.491 233 H CYS 33 H CYS 33 28.664 18.186 18.926 234 HA CYS 33 HA CYS 33 30.308 19.687 20.894 235 HB2 CYS 33 HB2 CYS 33 30.235 16.737 20.909 236 HB3 CYS 33 HB3 CYS 33 30.419 17.897 22.231 237 H GLN 34 H GLN 34 32.428 19.198 21.367 238 HA GLN 34 HA GLN 34 34.118 18.050 19.197 239 HB2 GLN 34 HB2 GLN 34 34.851 20.328 21.059 240 HB3 GLN 34 HB3 GLN 34 35.798 19.705 19.713 241 HG2 GLN 34 HG2 GLN 34 33.139 21.204 19.487 242 HG3 GLN 34 HG3 GLN 34 34.729 21.891 19.245 243 HE21 GLN 34 HE21 GLN 34 33.301 21.103 15.875 244 HE22 GLN 34 HE22 GLN 34 32.701 22.056 17.225 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 11.068 18.581 16.577 2 H2 GLY 1 H2 GLY 1 12.284 18.383 17.660 3 H3 GLY 1 H3 GLY 1 12.280 17.500 16.253 4 HA2 GLY 1 HA2 GLY 1 12.584 19.509 14.955 5 HA3 GLY 1 HA3 GLY 1 12.545 20.429 16.468 6 H SER 2 H SER 2 14.652 21.236 16.549 7 HA SER 2 HA SER 2 16.821 19.274 16.948 8 HB2 SER 2 HB2 SER 2 18.298 20.365 15.302 9 HB3 SER 2 HB3 SER 2 16.909 19.546 14.571 10 HG SER 2 HG SER 2 17.478 22.275 14.833 11 H ALA 3 H ALA 3 17.754 19.796 18.760 12 HA ALA 3 HA ALA 3 17.277 22.351 20.012 13 HB1 ALA 3 HB1 ALA 3 17.199 20.204 21.226 14 HB2 ALA 3 HB2 ALA 3 18.938 19.974 20.929 15 HB3 ALA 3 HB3 ALA 3 18.375 21.316 21.944 16 H CYS 4 H CYS 4 18.671 23.923 20.692 17 HA CYS 4 HA CYS 4 21.515 23.811 20.080 18 HB2 CYS 4 HB2 CYS 4 20.165 24.623 18.007 19 HB3 CYS 4 HB3 CYS 4 19.997 26.133 18.875 20 H GLN 5 H GLN 5 21.051 23.660 22.476 21 HA GLN 5 HA GLN 5 20.466 26.115 23.952 22 HB2 GLN 5 HB2 GLN 5 21.938 23.600 24.840 23 HB3 GLN 5 HB3 GLN 5 21.380 24.902 25.885 24 HG2 GLN 5 HG2 GLN 5 19.045 24.398 25.253 25 HG3 GLN 5 HG3 GLN 5 19.602 23.054 24.238 26 HE21 GLN 5 HE21 GLN 5 20.041 20.854 27.057 27 HE22 GLN 5 HE22 GLN 5 20.305 21.031 25.325 28 H PHE 6 H PHE 6 21.943 27.629 24.812 29 HA PHE 6 HA PHE 6 24.235 28.170 23.205 30 HB2 PHE 6 HB2 PHE 6 23.438 29.203 25.949 31 HB3 PHE 6 HB3 PHE 6 24.708 29.911 24.954 32 HD1 PHE 6 HD1 PHE 6 21.506 30.541 25.979 33 HD2 PHE 6 HD2 PHE 6 23.796 30.288 22.326 34 HE1 PHE 6 HE1 PHE 6 19.929 32.102 24.874 35 HE2 PHE 6 HE2 PHE 6 22.200 31.837 21.225 36 HZ PHE 6 HZ PHE 6 20.274 32.758 22.502 37 H TRP 7 H TRP 7 24.086 26.996 26.550 38 HA TRP 7 HA TRP 7 26.919 26.037 26.440 39 HB2 TRP 7 HB2 TRP 7 27.176 27.096 28.760 40 HB3 TRP 7 HB3 TRP 7 27.326 28.093 27.331 41 HD1 TRP 7 HD1 TRP 7 25.996 30.217 27.229 42 HE1 TRP 7 HE1 TRP 7 24.087 31.313 28.552 43 HE3 TRP 7 HE3 TRP 7 24.907 26.362 30.436 44 HZ2 TRP 7 HZ2 TRP 7 22.238 30.572 30.614 45 HZ3 TRP 7 HZ3 TRP 7 23.054 26.591 32.066 46 HH2 TRP 7 HH2 TRP 7 21.718 28.681 32.167 47 H SER 8 H SER 8 23.693 25.724 27.810 48 HA SER 8 HA SER 8 24.268 23.476 29.540 49 HB2 SER 8 HB2 SER 8 22.175 24.609 29.748 50 HB3 SER 8 HB3 SER 8 21.805 24.391 28.038 51 HG SER 8 HG SER 8 20.757 22.758 28.702 52 H CYS 9 H CYS 9 24.045 23.768 26.019 53 HA CYS 9 HA CYS 9 23.941 20.931 25.441 54 HB2 CYS 9 HB2 CYS 9 23.407 22.560 23.700 55 HB3 CYS 9 HB3 CYS 9 25.027 23.244 23.818 56 H ASN 10 H ASN 10 26.708 23.245 25.986 57 HA ASN 10 HA ASN 10 28.743 21.302 25.674 58 HB2 ASN 10 HB2 ASN 10 29.040 23.837 25.909 59 HB3 ASN 10 HB3 ASN 10 28.813 23.638 27.644 60 HD21 ASN 10 HD21 ASN 10 32.275 23.051 27.879 61 HD22 ASN 10 HD22 ASN 10 30.864 23.841 28.575 62 H SER 11 H SER 11 27.112 22.335 28.724 63 HA SER 11 HA SER 11 28.329 20.630 30.540 64 HB2 SER 11 HB2 SER 11 25.348 21.235 30.539 65 HB3 SER 11 HB3 SER 11 26.399 20.956 31.933 66 HG SER 11 HG SER 11 25.860 23.142 31.557 67 H SER 12 H SER 12 25.455 19.925 28.555 68 HA SER 12 HA SER 12 25.187 17.195 29.540 69 HB2 SER 12 HB2 SER 12 23.337 17.055 27.927 70 HB3 SER 12 HB3 SER 12 23.207 18.435 29.023 71 HG SER 12 HG SER 12 23.771 19.809 27.428 72 H CYS 13 H CYS 13 26.452 18.582 26.397 73 HA CYS 13 HA CYS 13 26.958 16.012 25.269 74 HB2 CYS 13 HB2 CYS 13 28.093 18.758 24.693 75 HB3 CYS 13 HB3 CYS 13 28.865 17.345 24.048 76 H ILE 14 H ILE 14 29.018 17.983 27.494 77 HA ILE 14 HA ILE 14 31.217 16.171 27.566 78 HB ILE 14 HB ILE 14 30.041 18.084 29.602 79 HG12 ILE 14 HG12 ILE 14 32.662 18.142 28.032 80 HG13 ILE 14 HG13 ILE 14 31.189 18.878 27.441 81 HG21 ILE 14 HG21 ILE 14 32.599 16.434 29.895 82 HG22 ILE 14 HG22 ILE 14 32.120 17.782 30.946 83 HG23 ILE 14 HG23 ILE 14 31.149 16.326 30.922 84 HD11 ILE 14 HD11 ILE 14 32.533 20.597 28.422 85 HD12 ILE 14 HD12 ILE 14 31.101 20.359 29.444 86 HD13 ILE 14 HD13 ILE 14 32.685 19.715 29.946 87 H SER 15 H SER 15 28.087 16.045 29.347 88 HA SER 15 HA SER 15 28.713 13.587 30.694 89 HB2 SER 15 HB2 SER 15 26.907 15.074 31.461 90 HB3 SER 15 HB3 SER 15 25.999 14.778 29.973 91 HG SER 15 HG SER 15 26.630 12.969 32.048 92 H ARG 16 H ARG 16 27.083 14.148 27.534 93 HA ARG 16 HA ARG 16 26.839 11.324 26.900 94 HB2 ARG 16 HB2 ARG 16 26.963 13.700 25.024 95 HB3 ARG 16 HB3 ARG 16 26.372 12.094 24.622 96 HG2 ARG 16 HG2 ARG 16 25.047 14.173 26.393 97 HG3 ARG 16 HG3 ARG 16 24.550 13.611 24.824 98 HD2 ARG 16 HD2 ARG 16 23.070 12.553 26.275 99 HD3 ARG 16 HD3 ARG 16 24.241 11.297 25.882 100 HE ARG 16 HE ARG 16 24.383 12.987 28.369 101 HH11 ARG 16 HH11 ARG 16 24.221 9.718 27.021 102 HH12 ARG 16 HH12 ARG 16 24.516 9.008 28.588 103 HH21 ARG 16 HH21 ARG 16 25.092 11.908 30.265 104 HH22 ARG 16 HH22 ARG 16 25.209 10.174 30.231 105 H GLY 17 H GLY 17 29.653 12.804 27.477 106 HA2 GLY 17 HA2 GLY 17 31.699 11.711 27.386 107 HA3 GLY 17 HA3 GLY 17 31.126 10.684 26.073 108 H TYR 18 H TYR 18 30.531 14.003 25.398 109 HA TYR 18 HA TYR 18 32.619 14.060 23.323 110 HB2 TYR 18 HB2 TYR 18 30.494 16.027 24.159 111 HB3 TYR 18 HB3 TYR 18 31.575 16.296 22.828 112 HD1 TYR 18 HD1 TYR 18 28.390 14.927 23.740 113 HD2 TYR 18 HD2 TYR 18 31.580 14.553 20.882 114 HE1 TYR 18 HE1 TYR 18 26.791 14.011 22.076 115 HE2 TYR 18 HE2 TYR 18 29.980 13.600 19.223 116 HH TYR 18 HH TYR 18 27.750 12.640 19.019 117 H ARG 19 H ARG 19 33.924 16.043 23.137 118 HA ARG 19 HA ARG 19 35.370 16.700 25.663 119 HB2 ARG 19 HB2 ARG 19 35.895 17.723 22.841 120 HB3 ARG 19 HB3 ARG 19 36.921 17.970 24.249 121 HG2 ARG 19 HG2 ARG 19 37.385 15.548 24.372 122 HG3 ARG 19 HG3 ARG 19 36.261 15.279 23.030 123 HD2 ARG 19 HD2 ARG 19 37.813 16.956 21.728 124 HD3 ARG 19 HD3 ARG 19 39.008 16.521 22.957 125 HE ARG 19 HE ARG 19 37.552 14.586 21.156 126 HH11 ARG 19 HH11 ARG 19 40.716 15.419 22.556 127 HH12 ARG 19 HH12 ARG 19 41.393 13.966 21.878 128 HH21 ARG 19 HH21 ARG 19 38.456 12.658 20.733 129 HH22 ARG 19 HH22 ARG 19 40.161 12.427 21.022 130 H GLN 20 H GLN 20 33.577 18.420 23.167 131 HA GLN 20 HA GLN 20 32.673 20.495 25.034 132 HB2 GLN 20 HB2 GLN 20 34.882 21.299 24.238 133 HB3 GLN 20 HB3 GLN 20 34.364 21.097 22.559 134 HG2 GLN 20 HG2 GLN 20 32.605 22.823 22.894 135 HG3 GLN 20 HG3 GLN 20 33.080 22.957 24.592 136 HE21 GLN 20 HE21 GLN 20 34.790 25.832 23.385 137 HE22 GLN 20 HE22 GLN 20 33.204 25.254 23.943 138 H GLY 21 H GLY 21 30.683 21.323 24.383 139 HA2 GLY 21 HA2 GLY 21 29.623 20.697 21.650 140 HA3 GLY 21 HA3 GLY 21 28.618 20.753 23.096 141 H LYS 22 H LYS 22 28.750 22.306 20.441 142 HA LYS 22 HA LYS 22 28.608 25.100 21.544 143 HB2 LYS 22 HB2 LYS 22 30.054 24.112 19.073 144 HB3 LYS 22 HB3 LYS 22 29.711 25.809 19.378 145 HG2 LYS 22 HG2 LYS 22 31.299 26.004 21.062 146 HG3 LYS 22 HG3 LYS 22 31.297 24.282 21.445 147 HD2 LYS 22 HD2 LYS 22 33.377 25.040 20.275 148 HD3 LYS 22 HD3 LYS 22 32.523 23.699 19.498 149 HE2 LYS 22 HE2 LYS 22 31.467 25.319 17.902 150 HE3 LYS 22 HE3 LYS 22 32.398 26.624 18.635 151 HZ1 LYS 22 HZ1 LYS 22 33.602 24.250 17.303 152 HZ2 LYS 22 HZ2 LYS 22 33.415 25.765 16.647 153 HZ3 LYS 22 HZ3 LYS 22 34.417 25.568 17.894 154 H CYS 23 H CYS 23 26.880 26.195 20.904 155 HA CYS 23 HA CYS 23 25.190 25.207 18.656 156 HB2 CYS 23 HB2 CYS 23 24.029 25.639 20.718 157 HB3 CYS 23 HB3 CYS 23 24.757 27.236 20.865 158 H TRP 24 H TRP 24 27.524 27.728 19.458 159 HA TRP 24 HA TRP 24 27.011 29.249 17.010 160 HB2 TRP 24 HB2 TRP 24 28.533 30.721 17.713 161 HB3 TRP 24 HB3 TRP 24 28.112 30.038 19.263 162 HD1 TRP 24 HD1 TRP 24 30.000 28.583 20.492 163 HE1 TRP 24 HE1 TRP 24 32.566 28.434 20.197 164 HE3 TRP 24 HE3 TRP 24 30.464 30.889 15.926 165 HZ2 TRP 24 HZ2 TRP 24 34.538 29.315 18.326 166 HZ3 TRP 24 HZ3 TRP 24 32.711 31.231 14.926 167 HH2 TRP 24 HH2 TRP 24 34.749 30.471 16.123 168 H GLY 25 H GLY 25 28.436 29.355 15.183 169 HA2 GLY 25 HA2 GLY 25 30.725 28.400 14.418 170 HA3 GLY 25 HA3 GLY 25 29.947 26.835 14.607 171 H ILE 26 H ILE 26 30.280 26.372 12.421 172 HA ILE 26 HA ILE 26 29.256 27.863 10.176 173 HB ILE 26 HB ILE 26 30.125 24.986 10.616 174 HG12 ILE 26 HG12 ILE 26 31.399 27.198 8.934 175 HG13 ILE 26 HG13 ILE 26 31.791 26.949 10.627 176 HG21 ILE 26 HG21 ILE 26 30.108 24.666 8.159 177 HG22 ILE 26 HG22 ILE 26 28.493 24.890 8.784 178 HG23 ILE 26 HG23 ILE 26 29.312 26.242 7.958 179 HD11 ILE 26 HD11 ILE 26 32.572 24.645 10.133 180 HD12 ILE 26 HD12 ILE 26 32.287 24.941 8.402 181 HD13 ILE 26 HD13 ILE 26 33.483 25.901 9.275 182 H GLN 27 H GLN 27 27.796 25.393 12.286 183 HA GLN 27 HA GLN 27 25.248 25.567 10.746 184 HB2 GLN 27 HB2 GLN 27 26.283 23.348 10.967 185 HB3 GLN 27 HB3 GLN 27 26.252 23.490 12.724 186 HG2 GLN 27 HG2 GLN 27 24.453 22.036 11.788 187 HG3 GLN 27 HG3 GLN 27 23.845 23.356 12.775 188 HE21 GLN 27 HE21 GLN 27 23.024 23.415 8.739 189 HE22 GLN 27 HE22 GLN 27 24.387 22.421 9.289 190 H TYR 28 H TYR 28 23.287 25.993 11.774 191 HA TYR 28 HA TYR 28 23.396 27.181 14.526 192 HB2 TYR 28 HB2 TYR 28 22.012 28.986 13.798 193 HB3 TYR 28 HB3 TYR 28 23.413 28.928 12.755 194 HD1 TYR 28 HD1 TYR 28 23.203 28.072 10.390 195 HD2 TYR 28 HD2 TYR 28 19.765 28.610 12.952 196 HE1 TYR 28 HE1 TYR 28 21.702 27.851 8.423 197 HE2 TYR 28 HE2 TYR 28 18.266 28.409 10.960 198 HH TYR 28 HH TYR 28 19.515 27.526 7.759 199 H LYS 29 H LYS 29 21.536 25.183 12.262 200 HA LYS 29 HA LYS 29 19.053 25.214 13.750 201 HB2 LYS 29 HB2 LYS 29 20.210 23.180 11.785 202 HB3 LYS 29 HB3 LYS 29 18.551 23.182 12.392 203 HG2 LYS 29 HG2 LYS 29 18.185 25.437 11.400 204 HG3 LYS 29 HG3 LYS 29 19.822 25.386 10.710 205 HD2 LYS 29 HD2 LYS 29 19.246 23.384 9.406 206 HD3 LYS 29 HD3 LYS 29 17.632 23.341 10.157 207 HE2 LYS 29 HE2 LYS 29 17.059 25.500 9.177 208 HE3 LYS 29 HE3 LYS 29 18.667 25.638 8.449 209 HZ1 LYS 29 HZ1 LYS 29 18.204 23.824 7.016 210 HZ2 LYS 29 HZ2 LYS 29 16.894 23.353 7.840 211 HZ3 LYS 29 HZ3 LYS 29 16.829 24.746 6.958 212 H TYR 30 H TYR 30 22.026 23.661 14.464 213 HA TYR 30 HA TYR 30 20.828 21.996 16.586 214 HB2 TYR 30 HB2 TYR 30 20.724 20.643 14.518 215 HB3 TYR 30 HB3 TYR 30 22.437 20.893 14.250 216 HD1 TYR 30 HD1 TYR 30 19.921 19.233 16.437 217 HD2 TYR 30 HD2 TYR 30 24.089 19.549 15.391 218 HE1 TYR 30 HE1 TYR 30 20.401 17.160 17.716 219 HE2 TYR 30 HE2 TYR 30 24.579 17.510 16.731 220 HH TYR 30 HH TYR 30 23.696 16.013 18.326 221 H CYS 31 H CYS 31 22.199 21.760 18.327 222 HA CYS 31 HA CYS 31 24.849 23.042 18.287 223 HB2 CYS 31 HB2 CYS 31 23.493 23.242 20.294 224 HB3 CYS 31 HB3 CYS 31 23.369 21.480 20.415 225 H GLN 32 H GLN 32 26.662 22.085 17.669 226 HA GLN 32 HA GLN 32 26.770 19.119 17.329 227 HB2 GLN 32 HB2 GLN 32 28.359 21.362 16.042 228 HB3 GLN 32 HB3 GLN 32 28.651 19.634 15.763 229 HG2 GLN 32 HG2 GLN 32 26.435 19.364 14.776 230 HG3 GLN 32 HG3 GLN 32 26.006 21.036 15.133 231 HE21 GLN 32 HE21 GLN 32 27.156 20.721 11.545 232 HE22 GLN 32 HE22 GLN 32 25.922 19.868 12.481 233 H CYS 33 H CYS 33 28.446 17.892 18.238 234 HA CYS 33 HA CYS 33 30.271 19.327 20.093 235 HB2 CYS 33 HB2 CYS 33 28.849 16.796 20.882 236 HB3 CYS 33 HB3 CYS 33 29.795 17.921 21.899 237 H GLN 34 H GLN 34 32.079 18.295 20.829 238 HA GLN 34 HA GLN 34 33.519 17.046 18.608 239 HB2 GLN 34 HB2 GLN 34 34.467 18.285 21.215 240 HB3 GLN 34 HB3 GLN 34 35.521 17.685 19.922 241 HG2 GLN 34 HG2 GLN 34 34.304 19.298 18.360 242 HG3 GLN 34 HG3 GLN 34 33.547 20.009 19.781 243 HE21 GLN 34 HE21 GLN 34 36.393 22.224 19.239 244 HE22 GLN 34 HE22 GLN 34 34.781 21.906 18.592 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 13.530 31.534 15.923 2 H2 GLY 1 H2 GLY 1 12.045 32.019 16.425 3 H3 GLY 1 H3 GLY 1 12.177 31.014 15.135 4 HA2 GLY 1 HA2 GLY 1 11.469 29.744 17.031 5 HA3 GLY 1 HA3 GLY 1 13.087 29.269 16.530 6 H SER 2 H SER 2 13.020 28.478 18.888 7 HA SER 2 HA SER 2 13.717 30.570 20.857 8 HB2 SER 2 HB2 SER 2 12.416 28.685 21.648 9 HB3 SER 2 HB3 SER 2 13.689 27.559 21.122 10 HG SER 2 HG SER 2 14.113 29.672 23.016 11 H ALA 3 H ALA 3 15.693 31.246 21.375 12 HA ALA 3 HA ALA 3 17.936 30.637 19.723 13 HB1 ALA 3 HB1 ALA 3 17.720 32.218 22.317 14 HB2 ALA 3 HB2 ALA 3 19.062 32.296 21.157 15 HB3 ALA 3 HB3 ALA 3 17.451 32.855 20.676 16 H CYS 4 H CYS 4 20.062 29.933 20.351 17 HA CYS 4 HA CYS 4 20.111 27.452 21.741 18 HB2 CYS 4 HB2 CYS 4 21.593 28.008 19.873 19 HB3 CYS 4 HB3 CYS 4 22.349 29.281 20.828 20 H GLN 5 H GLN 5 20.951 26.800 23.720 21 HA GLN 5 HA GLN 5 20.800 28.666 25.922 22 HB2 GLN 5 HB2 GLN 5 21.756 25.784 25.783 23 HB3 GLN 5 HB3 GLN 5 21.471 26.687 27.275 24 HG2 GLN 5 HG2 GLN 5 19.327 26.036 25.200 25 HG3 GLN 5 HG3 GLN 5 19.606 25.142 26.677 26 HE21 GLN 5 HE21 GLN 5 16.794 27.545 27.271 27 HE22 GLN 5 HE22 GLN 5 17.083 26.205 26.177 28 H PHE 6 H PHE 6 22.465 29.055 27.554 29 HA PHE 6 HA PHE 6 24.786 30.243 26.397 30 HB2 PHE 6 HB2 PHE 6 24.176 29.622 29.313 31 HB3 PHE 6 HB3 PHE 6 25.359 30.774 28.730 32 HD1 PHE 6 HD1 PHE 6 24.571 32.838 27.445 33 HD2 PHE 6 HD2 PHE 6 21.883 30.255 29.621 34 HE1 PHE 6 HE1 PHE 6 22.859 34.642 27.468 35 HE2 PHE 6 HE2 PHE 6 20.165 32.055 29.632 36 HZ PHE 6 HZ PHE 6 20.656 34.243 28.557 37 H TRP 7 H TRP 7 24.517 27.428 28.554 38 HA TRP 7 HA TRP 7 26.913 26.166 27.345 39 HB2 TRP 7 HB2 TRP 7 27.998 25.809 29.490 40 HB3 TRP 7 HB3 TRP 7 27.840 27.512 29.137 41 HD1 TRP 7 HD1 TRP 7 26.512 29.004 30.803 42 HE1 TRP 7 HE1 TRP 7 25.502 28.664 33.134 43 HE3 TRP 7 HE3 TRP 7 26.782 23.883 31.050 44 HZ2 TRP 7 HZ2 TRP 7 24.946 26.451 34.906 45 HZ3 TRP 7 HZ3 TRP 7 26.047 22.690 33.099 46 HH2 TRP 7 HH2 TRP 7 25.129 23.959 35.034 47 H SER 8 H SER 8 23.788 25.800 28.609 48 HA SER 8 HA SER 8 23.764 23.302 29.785 49 HB2 SER 8 HB2 SER 8 21.891 24.825 29.704 50 HB3 SER 8 HB3 SER 8 21.730 24.595 27.946 51 HG SER 8 HG SER 8 20.282 23.453 29.492 52 H CYS 9 H CYS 9 24.254 23.828 26.303 53 HA CYS 9 HA CYS 9 23.601 21.177 25.398 54 HB2 CYS 9 HB2 CYS 9 23.982 23.060 23.882 55 HB3 CYS 9 HB3 CYS 9 25.660 23.193 24.423 56 H ASN 10 H ASN 10 26.489 22.525 26.981 57 HA ASN 10 HA ASN 10 28.321 20.429 26.578 58 HB2 ASN 10 HB2 ASN 10 28.072 22.282 28.980 59 HB3 ASN 10 HB3 ASN 10 29.515 21.388 28.511 60 HD21 ASN 10 HD21 ASN 10 30.132 24.808 27.382 61 HD22 ASN 10 HD22 ASN 10 30.217 23.814 28.836 62 H SER 11 H SER 11 25.676 20.690 28.934 63 HA SER 11 HA SER 11 26.491 18.586 30.687 64 HB2 SER 11 HB2 SER 11 24.808 20.288 31.263 65 HB3 SER 11 HB3 SER 11 23.707 19.614 30.054 66 HG SER 11 HG SER 11 24.773 18.141 32.256 67 H SER 12 H SER 12 24.900 18.408 27.512 68 HA SER 12 HA SER 12 24.484 15.470 27.860 69 HB2 SER 12 HB2 SER 12 22.767 16.734 26.609 70 HB3 SER 12 HB3 SER 12 23.993 17.170 25.396 71 HG SER 12 HG SER 12 23.782 15.237 24.572 72 H CYS 13 H CYS 13 26.561 17.794 26.068 73 HA CYS 13 HA CYS 13 28.032 15.976 24.547 74 HB2 CYS 13 HB2 CYS 13 29.090 18.469 25.948 75 HB3 CYS 13 HB3 CYS 13 29.831 17.676 24.598 76 H ILE 14 H ILE 14 28.688 16.899 27.992 77 HA ILE 14 HA ILE 14 31.045 15.323 28.293 78 HB ILE 14 HB ILE 14 28.954 16.265 30.262 79 HG12 ILE 14 HG12 ILE 14 31.829 17.201 29.867 80 HG13 ILE 14 HG13 ILE 14 30.489 17.908 28.982 81 HG21 ILE 14 HG21 ILE 14 31.626 14.921 30.878 82 HG22 ILE 14 HG22 ILE 14 30.583 15.717 32.073 83 HG23 ILE 14 HG23 ILE 14 30.014 14.269 31.261 84 HD11 ILE 14 HD11 ILE 14 30.827 17.966 32.003 85 HD12 ILE 14 HD12 ILE 14 30.945 19.316 30.863 86 HD13 ILE 14 HD13 ILE 14 29.380 18.530 31.130 87 H SER 15 H SER 15 27.611 14.354 28.814 88 HA SER 15 HA SER 15 28.252 11.642 29.476 89 HB2 SER 15 HB2 SER 15 25.728 12.975 28.456 90 HB3 SER 15 HB3 SER 15 25.812 11.237 28.808 91 HG SER 15 HG SER 15 26.454 13.314 30.670 92 H ARG 16 H ARG 16 27.708 13.154 26.255 93 HA ARG 16 HA ARG 16 27.994 10.650 24.801 94 HB2 ARG 16 HB2 ARG 16 28.503 13.517 23.980 95 HB3 ARG 16 HB3 ARG 16 28.448 12.140 22.876 96 HG2 ARG 16 HG2 ARG 16 26.145 13.398 24.398 97 HG3 ARG 16 HG3 ARG 16 26.473 13.422 22.686 98 HD2 ARG 16 HD2 ARG 16 24.869 11.772 22.736 99 HD3 ARG 16 HD3 ARG 16 26.326 10.781 22.902 100 HE ARG 16 HE ARG 16 24.798 11.816 25.261 101 HH11 ARG 16 HH11 ARG 16 25.984 8.882 23.699 102 HH12 ARG 16 HH12 ARG 16 26.047 8.033 25.223 103 HH21 ARG 16 HH21 ARG 16 24.514 10.651 26.921 104 HH22 ARG 16 HH22 ARG 16 25.166 9.019 27.078 105 H GLY 17 H GLY 17 30.347 12.362 26.583 106 HA2 GLY 17 HA2 GLY 17 32.552 11.628 26.921 107 HA3 GLY 17 HA3 GLY 17 32.518 10.703 25.421 108 H TYR 18 H TYR 18 31.747 14.147 25.955 109 HA TYR 18 HA TYR 18 34.111 15.031 24.362 110 HB2 TYR 18 HB2 TYR 18 31.284 16.119 24.318 111 HB3 TYR 18 HB3 TYR 18 32.606 16.790 23.421 112 HD1 TYR 18 HD1 TYR 18 29.754 15.014 22.962 113 HD2 TYR 18 HD2 TYR 18 33.948 14.667 22.066 114 HE1 TYR 18 HE1 TYR 18 29.229 13.407 21.131 115 HE2 TYR 18 HE2 TYR 18 33.428 13.070 20.240 116 HH TYR 18 HH TYR 18 30.058 11.945 19.632 117 H ARG 19 H ARG 19 34.457 17.505 24.739 118 HA ARG 19 HA ARG 19 34.566 17.975 27.701 119 HB2 ARG 19 HB2 ARG 19 35.954 19.128 25.287 120 HB3 ARG 19 HB3 ARG 19 35.646 20.227 26.624 121 HG2 ARG 19 HG2 ARG 19 37.852 19.300 26.801 122 HG3 ARG 19 HG3 ARG 19 36.863 18.788 28.174 123 HD2 ARG 19 HD2 ARG 19 36.570 16.576 27.204 124 HD3 ARG 19 HD3 ARG 19 37.347 17.081 25.702 125 HE ARG 19 HE ARG 19 39.461 17.355 26.911 126 HH11 ARG 19 HH11 ARG 19 37.104 15.556 28.852 127 HH12 ARG 19 HH12 ARG 19 38.361 14.458 29.397 128 HH21 ARG 19 HH21 ARG 19 40.919 16.212 28.067 129 HH22 ARG 19 HH22 ARG 19 40.379 14.817 29.011 130 H GLN 20 H GLN 20 33.386 19.686 24.810 131 HA GLN 20 HA GLN 20 31.102 20.842 26.266 132 HB2 GLN 20 HB2 GLN 20 33.240 22.638 25.029 133 HB3 GLN 20 HB3 GLN 20 31.689 23.143 25.694 134 HG2 GLN 20 HG2 GLN 20 32.442 22.229 27.933 135 HG3 GLN 20 HG3 GLN 20 34.057 22.032 27.230 136 HE21 GLN 20 HE21 GLN 20 33.546 25.965 27.046 137 HE22 GLN 20 HE22 GLN 20 33.056 24.885 25.755 138 H GLY 21 H GLY 21 29.694 22.086 24.797 139 HA2 GLY 21 HA2 GLY 21 30.003 21.417 21.919 140 HA3 GLY 21 HA3 GLY 21 28.449 21.436 22.728 141 H LYS 22 H LYS 22 29.171 22.796 20.399 142 HA LYS 22 HA LYS 22 28.790 25.666 21.116 143 HB2 LYS 22 HB2 LYS 22 30.763 24.550 19.094 144 HB3 LYS 22 HB3 LYS 22 30.259 26.246 19.145 145 HG2 LYS 22 HG2 LYS 22 31.141 26.511 21.403 146 HG3 LYS 22 HG3 LYS 22 31.572 24.813 21.498 147 HD2 LYS 22 HD2 LYS 22 32.816 26.836 19.586 148 HD3 LYS 22 HD3 LYS 22 33.517 26.233 21.107 149 HE2 LYS 22 HE2 LYS 22 33.140 23.867 20.075 150 HE3 LYS 22 HE3 LYS 22 32.990 24.714 18.534 151 HZ1 LYS 22 HZ1 LYS 22 35.268 23.967 18.962 152 HZ2 LYS 22 HZ2 LYS 22 35.241 25.643 18.986 153 HZ3 LYS 22 HZ3 LYS 22 35.327 24.795 20.363 154 H CYS 23 H CYS 23 27.436 26.749 19.815 155 HA CYS 23 HA CYS 23 26.028 25.320 17.595 156 HB2 CYS 23 HB2 CYS 23 24.016 26.598 18.336 157 HB3 CYS 23 HB3 CYS 23 24.560 25.352 19.453 158 H TRP 24 H TRP 24 27.577 28.306 18.679 159 HA TRP 24 HA TRP 24 26.556 29.980 16.607 160 HB2 TRP 24 HB2 TRP 24 27.778 31.612 17.523 161 HB3 TRP 24 HB3 TRP 24 27.752 30.538 18.891 162 HD1 TRP 24 HD1 TRP 24 30.141 29.021 19.162 163 HE1 TRP 24 HE1 TRP 24 32.580 29.741 18.724 164 HE3 TRP 24 HE3 TRP 24 29.274 33.064 16.130 165 HZ2 TRP 24 HZ2 TRP 24 33.952 31.851 17.360 166 HZ3 TRP 24 HZ3 TRP 24 31.171 34.427 15.307 167 HH2 TRP 24 HH2 TRP 24 33.510 33.843 15.911 168 H GLY 25 H GLY 25 27.712 30.972 14.875 169 HA2 GLY 25 HA2 GLY 25 29.237 30.964 13.059 170 HA3 GLY 25 HA3 GLY 25 29.813 29.367 13.515 171 H ILE 26 H ILE 26 26.628 28.908 13.759 172 HA ILE 26 HA ILE 26 25.074 27.786 12.598 173 HB ILE 26 HB ILE 26 25.366 29.801 10.372 174 HG12 ILE 26 HG12 ILE 26 24.180 30.308 13.143 175 HG13 ILE 26 HG13 ILE 26 25.599 31.087 12.454 176 HG21 ILE 26 HG21 ILE 26 22.960 29.548 10.235 177 HG22 ILE 26 HG22 ILE 26 23.605 27.917 10.319 178 HG23 ILE 26 HG23 ILE 26 22.896 28.649 11.766 179 HD11 ILE 26 HD11 ILE 26 22.745 31.450 11.503 180 HD12 ILE 26 HD12 ILE 26 23.791 32.629 12.305 181 HD13 ILE 26 HD13 ILE 26 24.184 32.086 10.662 182 H GLN 27 H GLN 27 27.108 26.320 12.466 183 HA GLN 27 HA GLN 27 27.908 25.428 9.771 184 HB2 GLN 27 HB2 GLN 27 28.380 24.135 12.494 185 HB3 GLN 27 HB3 GLN 27 29.206 23.783 10.974 186 HG2 GLN 27 HG2 GLN 27 29.984 26.239 11.008 187 HG3 GLN 27 HG3 GLN 27 29.430 26.300 12.683 188 HE21 GLN 27 HE21 GLN 27 33.086 25.335 12.490 189 HE22 GLN 27 HE22 GLN 27 32.188 26.612 11.664 190 H TYR 28 H TYR 28 25.528 24.647 12.228 191 HA TYR 28 HA TYR 28 24.119 22.822 10.435 192 HB2 TYR 28 HB2 TYR 28 25.754 21.315 11.526 193 HB3 TYR 28 HB3 TYR 28 25.236 21.881 13.104 194 HD1 TYR 28 HD1 TYR 28 23.563 20.519 9.983 195 HD2 TYR 28 HD2 TYR 28 23.957 20.329 14.282 196 HE1 TYR 28 HE1 TYR 28 21.819 18.743 10.071 197 HE2 TYR 28 HE2 TYR 28 22.212 18.568 14.363 198 HH TYR 28 HH TYR 28 20.561 17.360 11.428 199 H LYS 29 H LYS 29 22.025 22.148 11.392 200 HA LYS 29 HA LYS 29 20.478 24.333 12.268 201 HB2 LYS 29 HB2 LYS 29 19.992 22.026 11.024 202 HB3 LYS 29 HB3 LYS 29 19.638 21.447 12.652 203 HG2 LYS 29 HG2 LYS 29 17.948 23.354 12.844 204 HG3 LYS 29 HG3 LYS 29 18.327 23.759 11.151 205 HD2 LYS 29 HD2 LYS 29 17.802 21.248 10.669 206 HD3 LYS 29 HD3 LYS 29 17.040 21.234 12.257 207 HE2 LYS 29 HE2 LYS 29 16.347 23.040 9.895 208 HE3 LYS 29 HE3 LYS 29 15.461 21.598 10.392 209 HZ1 LYS 29 HZ1 LYS 29 14.283 23.331 11.293 210 HZ2 LYS 29 HZ2 LYS 29 15.145 22.808 12.598 211 HZ3 LYS 29 HZ3 LYS 29 15.626 24.166 11.795 212 H TYR 30 H TYR 30 22.295 22.121 14.224 213 HA TYR 30 HA TYR 30 21.252 23.322 16.702 214 HB2 TYR 30 HB2 TYR 30 19.772 21.418 16.314 215 HB3 TYR 30 HB3 TYR 30 21.148 20.348 16.106 216 HD1 TYR 30 HD1 TYR 30 19.987 22.881 18.683 217 HD2 TYR 30 HD2 TYR 30 21.522 18.914 17.907 218 HE1 TYR 30 HE1 TYR 30 20.148 22.458 21.125 219 HE2 TYR 30 HE2 TYR 30 21.626 18.485 20.351 220 HH TYR 30 HH TYR 30 20.956 21.040 22.758 221 H CYS 31 H CYS 31 22.495 22.446 18.637 222 HA CYS 31 HA CYS 31 25.212 23.187 18.441 223 HB2 CYS 31 HB2 CYS 31 23.751 23.317 20.470 224 HB3 CYS 31 HB3 CYS 31 23.765 21.559 20.559 225 H GLN 32 H GLN 32 27.146 22.047 18.498 226 HA GLN 32 HA GLN 32 27.133 19.079 18.281 227 HB2 GLN 32 HB2 GLN 32 28.469 21.030 16.376 228 HB3 GLN 32 HB3 GLN 32 28.966 19.344 16.512 229 HG2 GLN 32 HG2 GLN 32 26.821 18.538 15.784 230 HG3 GLN 32 HG3 GLN 32 26.099 20.142 15.845 231 HE21 GLN 32 HE21 GLN 32 27.250 19.116 12.313 232 HE22 GLN 32 HE22 GLN 32 26.555 18.116 13.590 233 H CYS 33 H CYS 33 29.039 18.073 19.074 234 HA CYS 33 HA CYS 33 30.565 19.859 20.930 235 HB2 CYS 33 HB2 CYS 33 30.145 17.013 21.589 236 HB3 CYS 33 HB3 CYS 33 30.360 18.420 22.639 237 H GLN 34 H GLN 34 32.579 19.187 21.754 238 HA GLN 34 HA GLN 34 33.986 17.011 20.414 239 HB2 GLN 34 HB2 GLN 34 35.919 18.305 19.747 240 HB3 GLN 34 HB3 GLN 34 34.476 18.852 18.898 241 HG2 GLN 34 HG2 GLN 34 34.300 20.805 20.426 242 HG3 GLN 34 HG3 GLN 34 35.754 20.248 21.263 243 HE21 GLN 34 HE21 GLN 34 37.922 21.158 18.450 244 HE22 GLN 34 HE22 GLN 34 37.581 19.644 19.262 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 12.974 23.570 16.375 2 H2 GLY 1 H2 GLY 1 12.506 22.006 16.606 3 H3 GLY 1 H3 GLY 1 13.933 22.562 17.216 4 HA2 GLY 1 HA2 GLY 1 11.263 23.434 18.089 5 HA3 GLY 1 HA3 GLY 1 12.374 22.377 18.995 6 H SER 2 H SER 2 13.145 23.545 20.695 7 HA SER 2 HA SER 2 13.190 26.358 20.864 8 HB2 SER 2 HB2 SER 2 14.879 24.446 22.511 9 HB3 SER 2 HB3 SER 2 14.267 26.035 22.997 10 HG SER 2 HG SER 2 12.147 25.199 22.890 11 H ALA 3 H ALA 3 15.125 27.763 21.470 12 HA ALA 3 HA ALA 3 16.930 27.942 19.277 13 HB1 ALA 3 HB1 ALA 3 17.046 29.285 22.007 14 HB2 ALA 3 HB2 ALA 3 17.879 29.820 20.538 15 HB3 ALA 3 HB3 ALA 3 16.111 29.862 20.608 16 H CYS 4 H CYS 4 19.307 28.002 19.353 17 HA CYS 4 HA CYS 4 20.364 25.510 20.484 18 HB2 CYS 4 HB2 CYS 4 20.662 26.562 18.123 19 HB3 CYS 4 HB3 CYS 4 21.859 27.595 18.875 20 H GLN 5 H GLN 5 21.611 25.368 22.379 21 HA GLN 5 HA GLN 5 22.006 27.748 23.977 22 HB2 GLN 5 HB2 GLN 5 22.999 24.915 24.325 23 HB3 GLN 5 HB3 GLN 5 23.340 26.197 25.472 24 HG2 GLN 5 HG2 GLN 5 20.467 25.714 24.717 25 HG3 GLN 5 HG3 GLN 5 21.283 24.551 25.759 26 HE21 GLN 5 HE21 GLN 5 20.665 26.508 28.612 27 HE22 GLN 5 HE22 GLN 5 20.787 24.902 27.902 28 H PHE 6 H PHE 6 23.472 29.253 23.626 29 HA PHE 6 HA PHE 6 25.572 29.328 21.820 30 HB2 PHE 6 HB2 PHE 6 25.389 30.700 24.522 31 HB3 PHE 6 HB3 PHE 6 26.442 31.198 23.212 32 HD1 PHE 6 HD1 PHE 6 23.848 30.532 21.153 33 HD2 PHE 6 HD2 PHE 6 24.699 33.095 24.532 34 HE1 PHE 6 HE1 PHE 6 22.114 32.104 20.399 35 HE2 PHE 6 HE2 PHE 6 22.960 34.688 23.746 36 HZ PHE 6 HZ PHE 6 21.643 34.172 21.701 37 H TRP 7 H TRP 7 25.859 28.464 25.254 38 HA TRP 7 HA TRP 7 28.352 26.967 24.692 39 HB2 TRP 7 HB2 TRP 7 29.537 28.074 26.550 40 HB3 TRP 7 HB3 TRP 7 29.271 29.073 25.147 41 HD1 TRP 7 HD1 TRP 7 28.327 31.378 25.522 42 HE1 TRP 7 HE1 TRP 7 27.474 32.737 27.523 43 HE3 TRP 7 HE3 TRP 7 28.037 27.608 28.991 44 HZ2 TRP 7 HZ2 TRP 7 26.782 32.251 30.279 45 HZ3 TRP 7 HZ3 TRP 7 27.256 28.086 31.291 46 HH2 TRP 7 HH2 TRP 7 26.641 30.403 31.952 47 H SER 8 H SER 8 25.509 27.426 26.724 48 HA SER 8 HA SER 8 26.221 25.519 28.743 49 HB2 SER 8 HB2 SER 8 23.500 26.266 27.640 50 HB3 SER 8 HB3 SER 8 23.757 25.279 29.086 51 HG SER 8 HG SER 8 24.602 26.992 30.135 52 H CYS 9 H CYS 9 25.520 24.945 25.390 53 HA CYS 9 HA CYS 9 24.541 22.281 25.439 54 HB2 CYS 9 HB2 CYS 9 24.687 23.618 23.399 55 HB3 CYS 9 HB3 CYS 9 26.437 23.689 23.526 56 H ASN 10 H ASN 10 27.773 23.512 26.157 57 HA ASN 10 HA ASN 10 29.426 21.300 26.147 58 HB2 ASN 10 HB2 ASN 10 29.864 23.710 26.708 59 HB3 ASN 10 HB3 ASN 10 29.161 23.453 28.306 60 HD21 ASN 10 HD21 ASN 10 32.172 22.102 29.582 61 HD22 ASN 10 HD22 ASN 10 30.463 22.384 29.902 62 H SER 11 H SER 11 26.968 22.060 28.682 63 HA SER 11 HA SER 11 27.626 19.947 30.477 64 HB2 SER 11 HB2 SER 11 24.967 21.357 29.988 65 HB3 SER 11 HB3 SER 11 25.370 20.367 31.400 66 HG SER 11 HG SER 11 25.720 22.484 31.933 67 H SER 12 H SER 12 25.488 19.977 27.621 68 HA SER 12 HA SER 12 24.496 17.251 27.997 69 HB2 SER 12 HB2 SER 12 23.164 18.728 26.634 70 HB3 SER 12 HB3 SER 12 24.543 19.102 25.588 71 HG SER 12 HG SER 12 23.085 16.672 25.792 72 H CYS 13 H CYS 13 27.087 18.783 25.999 73 HA CYS 13 HA CYS 13 27.961 16.491 24.662 74 HB2 CYS 13 HB2 CYS 13 29.658 18.818 25.668 75 HB3 CYS 13 HB3 CYS 13 30.112 17.693 24.419 76 H ILE 14 H ILE 14 29.114 17.651 27.874 77 HA ILE 14 HA ILE 14 31.041 15.589 28.268 78 HB ILE 14 HB ILE 14 29.423 17.200 30.272 79 HG12 ILE 14 HG12 ILE 14 32.352 17.591 29.495 80 HG13 ILE 14 HG13 ILE 14 31.074 18.380 28.598 81 HG21 ILE 14 HG21 ILE 14 31.923 15.479 30.699 82 HG22 ILE 14 HG22 ILE 14 31.260 16.600 31.899 83 HG23 ILE 14 HG23 ILE 14 30.321 15.211 31.407 84 HD11 ILE 14 HD11 ILE 14 31.608 18.767 31.567 85 HD12 ILE 14 HD12 ILE 14 31.904 19.909 30.256 86 HD13 ILE 14 HD13 ILE 14 30.239 19.471 30.668 87 H SER 15 H SER 15 27.496 15.521 28.745 88 HA SER 15 HA SER 15 27.571 12.911 30.038 89 HB2 SER 15 HB2 SER 15 25.224 12.900 29.965 90 HB3 SER 15 HB3 SER 15 25.625 14.612 30.203 91 HG SER 15 HG SER 15 25.320 14.876 27.917 92 H ARG 16 H ARG 16 27.472 13.948 26.684 93 HA ARG 16 HA ARG 16 27.028 11.214 25.679 94 HB2 ARG 16 HB2 ARG 16 27.795 13.784 24.252 95 HB3 ARG 16 HB3 ARG 16 27.263 12.290 23.479 96 HG2 ARG 16 HG2 ARG 16 25.599 14.204 25.167 97 HG3 ARG 16 HG3 ARG 16 25.496 13.894 23.454 98 HD2 ARG 16 HD2 ARG 16 23.760 12.570 24.073 99 HD3 ARG 16 HD3 ARG 16 25.047 11.378 24.305 100 HE ARG 16 HE ARG 16 24.466 13.031 26.676 101 HH11 ARG 16 HH11 ARG 16 23.549 10.018 25.059 102 HH12 ARG 16 HH12 ARG 16 22.998 9.349 26.594 103 HH21 ARG 16 HH21 ARG 16 23.412 12.162 28.432 104 HH22 ARG 16 HH22 ARG 16 22.617 10.614 28.250 105 H GLY 17 H GLY 17 29.645 12.534 27.155 106 HA2 GLY 17 HA2 GLY 17 31.740 11.618 27.430 107 HA3 GLY 17 HA3 GLY 17 31.421 10.480 26.115 108 H TYR 18 H TYR 18 31.196 14.007 25.841 109 HA TYR 18 HA TYR 18 33.617 14.105 24.060 110 HB2 TYR 18 HB2 TYR 18 31.086 15.764 24.067 111 HB3 TYR 18 HB3 TYR 18 32.475 16.138 23.084 112 HD1 TYR 18 HD1 TYR 18 29.343 14.619 23.063 113 HD2 TYR 18 HD2 TYR 18 33.322 14.056 21.532 114 HE1 TYR 18 HE1 TYR 18 28.439 13.150 21.250 115 HE2 TYR 18 HE2 TYR 18 32.418 12.666 19.682 116 HH TYR 18 HH TYR 18 30.332 12.191 18.503 117 H ARG 19 H ARG 19 34.584 16.398 24.058 118 HA ARG 19 HA ARG 19 35.055 17.202 26.876 119 HB2 ARG 19 HB2 ARG 19 36.879 16.861 25.025 120 HB3 ARG 19 HB3 ARG 19 36.373 18.433 24.444 121 HG2 ARG 19 HG2 ARG 19 38.273 18.756 25.851 122 HG3 ARG 19 HG3 ARG 19 36.862 19.460 26.635 123 HD2 ARG 19 HD2 ARG 19 38.273 18.336 28.224 124 HD3 ARG 19 HD3 ARG 19 36.718 17.498 28.134 125 HE ARG 19 HE ARG 19 38.096 15.978 26.426 126 HH11 ARG 19 HH11 ARG 19 39.294 17.132 29.566 127 HH12 ARG 19 HH12 ARG 19 40.507 15.851 29.564 128 HH21 ARG 19 HH21 ARG 19 39.595 14.475 26.602 129 HH22 ARG 19 HH22 ARG 19 40.656 14.419 28.007 130 H GLN 20 H GLN 20 34.120 18.855 23.856 131 HA GLN 20 HA GLN 20 32.384 20.708 25.409 132 HB2 GLN 20 HB2 GLN 20 34.430 21.823 23.451 133 HB3 GLN 20 HB3 GLN 20 33.281 22.705 24.443 134 HG2 GLN 20 HG2 GLN 20 34.557 21.984 26.485 135 HG3 GLN 20 HG3 GLN 20 35.750 21.232 25.416 136 HE21 GLN 20 HE21 GLN 20 37.359 24.434 25.845 137 HE22 GLN 20 HE22 GLN 20 37.328 22.795 26.506 138 H GLY 21 H GLY 21 30.876 21.880 24.135 139 HA2 GLY 21 HA2 GLY 21 30.893 21.842 21.229 140 HA3 GLY 21 HA3 GLY 21 29.534 20.951 21.909 141 H LYS 22 H LYS 22 29.915 23.625 20.453 142 HA LYS 22 HA LYS 22 28.378 25.459 22.276 143 HB2 LYS 22 HB2 LYS 22 30.929 25.976 20.684 144 HB3 LYS 22 HB3 LYS 22 29.969 27.254 21.406 145 HG2 LYS 22 HG2 LYS 22 30.642 26.809 23.545 146 HG3 LYS 22 HG3 LYS 22 30.874 25.093 23.296 147 HD2 LYS 22 HD2 LYS 22 32.762 27.200 22.188 148 HD3 LYS 22 HD3 LYS 22 32.971 26.340 23.721 149 HE2 LYS 22 HE2 LYS 22 32.906 24.154 22.438 150 HE3 LYS 22 HE3 LYS 22 32.939 25.090 20.942 151 HZ1 LYS 22 HZ1 LYS 22 35.183 24.434 21.585 152 HZ2 LYS 22 HZ2 LYS 22 35.061 26.061 21.703 153 HZ3 LYS 22 HZ3 LYS 22 35.037 25.098 23.058 154 H CYS 23 H CYS 23 26.819 26.692 21.251 155 HA CYS 23 HA CYS 23 26.347 26.270 18.370 156 HB2 CYS 23 HB2 CYS 23 24.791 27.826 20.447 157 HB3 CYS 23 HB3 CYS 23 24.309 27.590 18.775 158 H TRP 24 H TRP 24 28.474 27.310 17.837 159 HA TRP 24 HA TRP 24 28.478 30.295 17.954 160 HB2 TRP 24 HB2 TRP 24 30.801 30.178 17.588 161 HB3 TRP 24 HB3 TRP 24 30.406 29.033 18.847 162 HD1 TRP 24 HD1 TRP 24 30.749 26.439 18.299 163 HE1 TRP 24 HE1 TRP 24 32.097 25.186 16.552 164 HE3 TRP 24 HE3 TRP 24 31.698 30.321 15.089 165 HZ2 TRP 24 HZ2 TRP 24 33.401 25.765 14.027 166 HZ3 TRP 24 HZ3 TRP 24 33.053 29.944 13.045 167 HH2 TRP 24 HH2 TRP 24 33.910 27.674 12.497 168 H GLY 25 H GLY 25 27.721 27.837 15.706 169 HA2 GLY 25 HA2 GLY 25 28.855 28.894 13.332 170 HA3 GLY 25 HA3 GLY 25 27.579 27.695 13.426 171 H ILE 26 H ILE 26 27.617 29.307 11.337 172 HA ILE 26 HA ILE 26 25.537 31.426 11.661 173 HB ILE 26 HB ILE 26 27.332 30.593 9.361 174 HG12 ILE 26 HG12 ILE 26 27.201 33.299 10.769 175 HG13 ILE 26 HG13 ILE 26 28.240 32.006 11.341 176 HG21 ILE 26 HG21 ILE 26 26.390 32.533 8.111 177 HG22 ILE 26 HG22 ILE 26 25.175 31.308 8.406 178 HG23 ILE 26 HG23 ILE 26 25.196 32.781 9.403 179 HD11 ILE 26 HD11 ILE 26 29.554 33.470 9.975 180 HD12 ILE 26 HD12 ILE 26 29.389 31.915 9.140 181 HD13 ILE 26 HD13 ILE 26 28.433 33.324 8.613 182 H GLN 27 H GLN 27 26.089 28.226 10.179 183 HA GLN 27 HA GLN 27 23.580 28.029 8.810 184 HB2 GLN 27 HB2 GLN 27 25.474 25.931 9.922 185 HB3 GLN 27 HB3 GLN 27 24.069 25.541 8.933 186 HG2 GLN 27 HG2 GLN 27 24.992 26.872 7.066 187 HG3 GLN 27 HG3 GLN 27 26.403 27.295 8.045 188 HE21 GLN 27 HE21 GLN 27 27.265 24.365 5.854 189 HE22 GLN 27 HE22 GLN 27 26.689 26.004 5.562 190 H TYR 28 H TYR 28 21.616 27.097 9.356 191 HA TYR 28 HA TYR 28 20.897 27.215 12.221 192 HB2 TYR 28 HB2 TYR 28 19.249 27.023 9.678 193 HB3 TYR 28 HB3 TYR 28 18.565 26.990 11.301 194 HD1 TYR 28 HD1 TYR 28 20.177 29.130 8.756 195 HD2 TYR 28 HD2 TYR 28 18.635 28.956 12.780 196 HE1 TYR 28 HE1 TYR 28 20.361 31.609 8.942 197 HE2 TYR 28 HE2 TYR 28 18.818 31.432 12.958 198 HH TYR 28 HH TYR 28 19.721 33.317 12.025 199 H LYS 29 H LYS 29 21.871 25.401 13.066 200 HA LYS 29 HA LYS 29 20.664 22.735 12.454 201 HB2 LYS 29 HB2 LYS 29 23.628 23.407 12.669 202 HB3 LYS 29 HB3 LYS 29 22.983 21.769 12.630 203 HG2 LYS 29 HG2 LYS 29 22.269 21.998 10.348 204 HG3 LYS 29 HG3 LYS 29 22.535 23.738 10.371 205 HD2 LYS 29 HD2 LYS 29 24.321 22.612 9.143 206 HD3 LYS 29 HD3 LYS 29 24.890 23.547 10.537 207 HE2 LYS 29 HE2 LYS 29 26.128 21.492 10.427 208 HE3 LYS 29 HE3 LYS 29 25.139 21.467 11.860 209 HZ1 LYS 29 HZ1 LYS 29 25.092 19.385 10.544 210 HZ2 LYS 29 HZ2 LYS 29 23.590 19.985 10.759 211 HZ3 LYS 29 HZ3 LYS 29 24.418 20.162 9.291 212 H TYR 30 H TYR 30 20.748 21.203 14.151 213 HA TYR 30 HA TYR 30 20.743 22.151 16.855 214 HB2 TYR 30 HB2 TYR 30 19.596 20.100 15.836 215 HB3 TYR 30 HB3 TYR 30 21.143 19.272 15.971 216 HD1 TYR 30 HD1 TYR 30 22.058 18.731 18.260 217 HD2 TYR 30 HD2 TYR 30 18.224 20.625 17.740 218 HE1 TYR 30 HE1 TYR 30 21.493 18.243 20.639 219 HE2 TYR 30 HE2 TYR 30 17.647 20.090 20.099 220 HH TYR 30 HH TYR 30 18.287 18.565 21.871 221 H CYS 31 H CYS 31 22.198 21.569 18.611 222 HA CYS 31 HA CYS 31 24.870 22.315 18.054 223 HB2 CYS 31 HB2 CYS 31 23.612 22.716 20.180 224 HB3 CYS 31 HB3 CYS 31 23.802 21.009 20.562 225 H GLN 32 H GLN 32 26.848 21.298 18.366 226 HA GLN 32 HA GLN 32 27.054 18.345 18.304 227 HB2 GLN 32 HB2 GLN 32 27.949 20.293 16.173 228 HB3 GLN 32 HB3 GLN 32 28.965 18.913 16.542 229 HG2 GLN 32 HG2 GLN 32 27.100 17.353 16.106 230 HG3 GLN 32 HG3 GLN 32 26.047 18.725 15.714 231 HE21 GLN 32 HE21 GLN 32 29.172 17.926 13.094 232 HE22 GLN 32 HE22 GLN 32 29.373 17.523 14.793 233 H CYS 33 H CYS 33 29.085 17.535 18.909 234 HA CYS 33 HA CYS 33 30.824 19.409 20.452 235 HB2 CYS 33 HB2 CYS 33 30.130 16.640 21.366 236 HB3 CYS 33 HB3 CYS 33 30.680 18.025 22.319 237 H GLN 34 H GLN 34 32.862 18.405 21.207 238 HA GLN 34 HA GLN 34 33.963 16.072 19.780 239 HB2 GLN 34 HB2 GLN 34 35.250 18.841 19.652 240 HB3 GLN 34 HB3 GLN 34 36.078 17.326 19.277 241 HG2 GLN 34 HG2 GLN 34 34.304 16.891 17.531 242 HG3 GLN 34 HG3 GLN 34 33.726 18.538 17.777 243 HE21 GLN 34 HE21 GLN 34 36.667 18.001 15.162 244 HE22 GLN 34 HE22 GLN 34 35.418 16.842 15.618 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 14.614 32.279 16.283 2 H2 GLY 1 H2 GLY 1 15.657 33.518 15.984 3 H3 GLY 1 H3 GLY 1 14.946 33.373 17.465 4 HA2 GLY 1 HA2 GLY 1 16.850 31.462 16.278 5 HA3 GLY 1 HA3 GLY 1 17.257 32.683 17.506 6 H SER 2 H SER 2 17.588 31.643 19.378 7 HA SER 2 HA SER 2 17.343 30.310 21.166 8 HB2 SER 2 HB2 SER 2 14.381 30.750 20.792 9 HB3 SER 2 HB3 SER 2 15.238 30.346 22.293 10 HG SER 2 HG SER 2 15.188 32.710 20.800 11 H ALA 3 H ALA 3 17.806 28.760 18.942 12 HA ALA 3 HA ALA 3 16.205 26.281 19.347 13 HB1 ALA 3 HB1 ALA 3 18.247 27.119 17.266 14 HB2 ALA 3 HB2 ALA 3 17.401 25.551 17.295 15 HB3 ALA 3 HB3 ALA 3 16.487 27.050 17.054 16 H CYS 4 H CYS 4 19.324 27.686 20.090 17 HA CYS 4 HA CYS 4 19.990 25.465 21.878 18 HB2 CYS 4 HB2 CYS 4 22.220 25.121 20.889 19 HB3 CYS 4 HB3 CYS 4 20.940 24.647 19.775 20 H GLN 5 H GLN 5 21.617 26.023 23.439 21 HA GLN 5 HA GLN 5 22.156 28.919 23.787 22 HB2 GLN 5 HB2 GLN 5 23.028 26.555 25.492 23 HB3 GLN 5 HB3 GLN 5 23.265 28.253 25.880 24 HG2 GLN 5 HG2 GLN 5 20.623 26.769 25.721 25 HG3 GLN 5 HG3 GLN 5 21.411 27.404 27.161 26 HE21 GLN 5 HE21 GLN 5 20.482 30.849 25.612 27 HE22 GLN 5 HE22 GLN 5 22.058 30.128 25.898 28 H PHE 6 H PHE 6 24.240 29.848 23.972 29 HA PHE 6 HA PHE 6 25.836 29.319 21.720 30 HB2 PHE 6 HB2 PHE 6 26.474 30.823 24.277 31 HB3 PHE 6 HB3 PHE 6 27.413 30.948 22.794 32 HD1 PHE 6 HD1 PHE 6 24.423 30.874 21.197 33 HD2 PHE 6 HD2 PHE 6 26.487 33.353 24.075 34 HE1 PHE 6 HE1 PHE 6 23.122 32.823 20.450 35 HE2 PHE 6 HE2 PHE 6 25.176 35.318 23.305 36 HZ PHE 6 HZ PHE 6 23.486 35.049 21.488 37 H TRP 7 H TRP 7 26.621 28.529 25.106 38 HA TRP 7 HA TRP 7 28.572 26.463 24.180 39 HB2 TRP 7 HB2 TRP 7 30.224 27.415 25.846 40 HB3 TRP 7 HB3 TRP 7 30.012 28.310 24.347 41 HD1 TRP 7 HD1 TRP 7 29.423 30.767 24.515 42 HE1 TRP 7 HE1 TRP 7 28.921 32.431 26.384 43 HE3 TRP 7 HE3 TRP 7 29.226 27.510 28.470 44 HZ2 TRP 7 HZ2 TRP 7 28.215 32.325 29.193 45 HZ3 TRP 7 HZ3 TRP 7 28.652 28.329 30.740 46 HH2 TRP 7 HH2 TRP 7 28.121 30.729 31.109 47 H SER 8 H SER 8 26.480 27.727 26.779 48 HA SER 8 HA SER 8 27.287 25.797 28.694 49 HB2 SER 8 HB2 SER 8 25.455 26.370 29.996 50 HB3 SER 8 HB3 SER 8 25.788 27.839 29.068 51 HG SER 8 HG SER 8 23.818 27.698 28.407 52 H CYS 9 H CYS 9 25.530 25.264 25.826 53 HA CYS 9 HA CYS 9 24.104 22.880 26.296 54 HB2 CYS 9 HB2 CYS 9 24.237 24.374 24.234 55 HB3 CYS 9 HB3 CYS 9 25.761 23.573 23.843 56 H ASN 10 H ASN 10 27.625 23.399 26.281 57 HA ASN 10 HA ASN 10 28.502 20.771 25.841 58 HB2 ASN 10 HB2 ASN 10 29.959 22.833 26.106 59 HB3 ASN 10 HB3 ASN 10 29.759 22.656 27.857 60 HD21 ASN 10 HD21 ASN 10 32.541 20.419 27.704 61 HD22 ASN 10 HD22 ASN 10 31.848 21.841 28.495 62 H SER 11 H SER 11 26.890 22.040 28.776 63 HA SER 11 HA SER 11 27.616 20.053 30.653 64 HB2 SER 11 HB2 SER 11 24.886 21.354 30.276 65 HB3 SER 11 HB3 SER 11 25.454 20.524 31.737 66 HG SER 11 HG SER 11 27.109 22.073 31.911 67 H SER 12 H SER 12 25.247 19.860 27.994 68 HA SER 12 HA SER 12 24.393 17.149 28.751 69 HB2 SER 12 HB2 SER 12 22.846 18.796 27.700 70 HB3 SER 12 HB3 SER 12 23.825 18.722 26.214 71 HG SER 12 HG SER 12 22.099 17.270 26.124 72 H CYS 13 H CYS 13 26.486 18.648 26.217 73 HA CYS 13 HA CYS 13 27.053 16.187 24.912 74 HB2 CYS 13 HB2 CYS 13 28.532 18.848 24.934 75 HB3 CYS 13 HB3 CYS 13 29.122 17.464 24.089 76 H ILE 14 H ILE 14 28.644 17.539 27.813 77 HA ILE 14 HA ILE 14 30.773 15.678 27.982 78 HB ILE 14 HB ILE 14 29.081 17.142 30.021 79 HG12 ILE 14 HG12 ILE 14 32.034 17.323 29.257 80 HG13 ILE 14 HG13 ILE 14 30.786 18.286 28.493 81 HG21 ILE 14 HG21 ILE 14 31.432 15.305 30.661 82 HG22 ILE 14 HG22 ILE 14 30.661 16.427 31.798 83 HG23 ILE 14 HG23 ILE 14 29.743 15.073 31.177 84 HD11 ILE 14 HD11 ILE 14 31.501 18.430 31.449 85 HD12 ILE 14 HD12 ILE 14 31.940 19.575 30.184 86 HD13 ILE 14 HD13 ILE 14 30.227 19.369 30.624 87 H SER 15 H SER 15 27.314 15.190 28.851 88 HA SER 15 HA SER 15 27.714 12.449 29.729 89 HB2 SER 15 HB2 SER 15 25.742 13.610 30.490 90 HB3 SER 15 HB3 SER 15 25.243 13.975 28.831 91 HG SER 15 HG SER 15 25.104 11.545 30.241 92 H ARG 16 H ARG 16 26.687 13.895 26.594 93 HA ARG 16 HA ARG 16 26.484 11.415 25.158 94 HB2 ARG 16 HB2 ARG 16 27.204 14.139 24.063 95 HB3 ARG 16 HB3 ARG 16 26.573 12.792 23.136 96 HG2 ARG 16 HG2 ARG 16 25.071 14.525 25.133 97 HG3 ARG 16 HG3 ARG 16 24.899 14.453 23.391 98 HD2 ARG 16 HD2 ARG 16 23.106 13.164 23.945 99 HD3 ARG 16 HD3 ARG 16 24.317 11.898 23.838 100 HE ARG 16 HE ARG 16 24.404 11.751 26.221 101 HH11 ARG 16 HH11 ARG 16 21.909 14.115 25.293 102 HH12 ARG 16 HH12 ARG 16 21.044 13.796 26.792 103 HH21 ARG 16 HH21 ARG 16 23.463 11.828 28.159 104 HH22 ARG 16 HH22 ARG 16 21.950 12.674 28.399 105 H GLY 17 H GLY 17 29.336 12.560 26.454 106 HA2 GLY 17 HA2 GLY 17 31.381 11.428 26.312 107 HA3 GLY 17 HA3 GLY 17 30.872 10.633 24.823 108 H TYR 18 H TYR 18 30.942 14.130 25.529 109 HA TYR 18 HA TYR 18 33.198 14.523 23.611 110 HB2 TYR 18 HB2 TYR 18 30.880 16.346 24.185 111 HB3 TYR 18 HB3 TYR 18 32.162 16.661 23.046 112 HD1 TYR 18 HD1 TYR 18 32.463 14.805 21.115 113 HD2 TYR 18 HD2 TYR 18 28.865 15.417 23.382 114 HE1 TYR 18 HE1 TYR 18 31.106 13.909 19.224 115 HE2 TYR 18 HE2 TYR 18 27.513 14.552 21.497 116 HH TYR 18 HH TYR 18 27.519 13.979 19.319 117 H ARG 19 H ARG 19 34.374 16.614 24.046 118 HA ARG 19 HA ARG 19 34.750 17.109 26.982 119 HB2 ARG 19 HB2 ARG 19 36.556 17.826 24.628 120 HB3 ARG 19 HB3 ARG 19 36.882 18.129 26.328 121 HG2 ARG 19 HG2 ARG 19 36.823 15.464 24.887 122 HG3 ARG 19 HG3 ARG 19 38.168 16.237 25.724 123 HD2 ARG 19 HD2 ARG 19 36.844 15.994 27.887 124 HD3 ARG 19 HD3 ARG 19 35.668 15.033 26.965 125 HE ARG 19 HE ARG 19 38.376 14.021 26.665 126 HH11 ARG 19 HH11 ARG 19 35.609 13.885 28.868 127 HH12 ARG 19 HH12 ARG 19 36.047 12.250 29.343 128 HH21 ARG 19 HH21 ARG 19 38.896 12.162 27.471 129 HH22 ARG 19 HH22 ARG 19 38.034 11.438 28.828 130 H GLN 20 H GLN 20 34.379 18.878 23.911 131 HA GLN 20 HA GLN 20 33.008 21.028 25.414 132 HB2 GLN 20 HB2 GLN 20 35.557 21.407 23.896 133 HB3 GLN 20 HB3 GLN 20 34.345 22.675 23.816 134 HG2 GLN 20 HG2 GLN 20 35.439 21.555 26.421 135 HG3 GLN 20 HG3 GLN 20 36.035 23.005 25.616 136 HE21 GLN 20 HE21 GLN 20 33.723 24.331 28.117 137 HE22 GLN 20 HE22 GLN 20 35.312 23.572 28.086 138 H GLY 21 H GLY 21 31.332 21.848 24.523 139 HA2 GLY 21 HA2 GLY 21 30.684 21.447 21.625 140 HA3 GLY 21 HA3 GLY 21 29.513 21.409 22.952 141 H LYS 22 H LYS 22 29.538 23.000 20.491 142 HA LYS 22 HA LYS 22 29.210 25.733 21.652 143 HB2 LYS 22 HB2 LYS 22 30.834 25.080 19.184 144 HB3 LYS 22 HB3 LYS 22 30.359 26.696 19.702 145 HG2 LYS 22 HG2 LYS 22 31.585 26.406 21.836 146 HG3 LYS 22 HG3 LYS 22 32.131 24.809 21.305 147 HD2 LYS 22 HD2 LYS 22 32.840 27.455 19.983 148 HD3 LYS 22 HD3 LYS 22 33.865 26.450 21.019 149 HE2 LYS 22 HE2 LYS 22 33.362 24.564 19.277 150 HE3 LYS 22 HE3 LYS 22 32.905 25.895 18.207 151 HZ1 LYS 22 HZ1 LYS 22 35.263 25.411 17.930 152 HZ2 LYS 22 HZ2 LYS 22 35.161 26.863 18.731 153 HZ3 LYS 22 HZ3 LYS 22 35.520 25.488 19.548 154 H CYS 23 H CYS 23 27.699 27.014 20.673 155 HA CYS 23 HA CYS 23 26.496 26.398 18.096 156 HB2 CYS 23 HB2 CYS 23 25.376 24.941 19.972 157 HB3 CYS 23 HB3 CYS 23 24.579 26.429 20.430 158 H TRP 24 H TRP 24 27.984 28.494 18.568 159 HA TRP 24 HA TRP 24 26.461 30.800 19.684 160 HB2 TRP 24 HB2 TRP 24 28.519 31.748 20.222 161 HB3 TRP 24 HB3 TRP 24 28.739 30.053 20.585 162 HD1 TRP 24 HD1 TRP 24 30.299 28.657 18.827 163 HE1 TRP 24 HE1 TRP 24 32.200 29.354 17.238 164 HE3 TRP 24 HE3 TRP 24 29.605 33.733 18.914 165 HZ2 TRP 24 HZ2 TRP 24 33.216 31.773 16.100 166 HZ3 TRP 24 HZ3 TRP 24 31.049 35.204 17.535 167 HH2 TRP 24 HH2 TRP 24 32.836 34.245 16.108 168 H GLY 25 H GLY 25 27.304 32.983 18.719 169 HA2 GLY 25 HA2 GLY 25 27.148 34.508 16.987 170 HA3 GLY 25 HA3 GLY 25 28.471 33.523 16.389 171 H ILE 26 H ILE 26 28.257 32.564 14.467 172 HA ILE 26 HA ILE 26 25.630 32.660 13.049 173 HB ILE 26 HB ILE 26 26.878 32.896 10.984 174 HG12 ILE 26 HG12 ILE 26 29.428 33.162 12.640 175 HG13 ILE 26 HG13 ILE 26 28.966 31.686 11.801 176 HG21 ILE 26 HG21 ILE 26 27.552 35.193 11.268 177 HG22 ILE 26 HG22 ILE 26 26.154 34.893 12.302 178 HG23 ILE 26 HG23 ILE 26 27.784 34.985 13.007 179 HD11 ILE 26 HD11 ILE 26 28.967 32.886 9.637 180 HD12 ILE 26 HD12 ILE 26 29.536 34.356 10.470 181 HD13 ILE 26 HD13 ILE 26 30.548 32.905 10.442 182 H GLN 27 H GLN 27 27.016 30.365 14.690 183 HA GLN 27 HA GLN 27 27.517 28.241 12.809 184 HB2 GLN 27 HB2 GLN 27 26.787 28.158 15.773 185 HB3 GLN 27 HB3 GLN 27 27.367 26.797 14.812 186 HG2 GLN 27 HG2 GLN 27 29.458 28.152 14.298 187 HG3 GLN 27 HG3 GLN 27 28.953 29.278 15.554 188 HE21 GLN 27 HE21 GLN 27 30.840 25.929 16.621 189 HE22 GLN 27 HE22 GLN 27 30.889 26.661 15.026 190 H TYR 28 H TYR 28 26.273 26.212 12.630 191 HA TYR 28 HA TYR 28 23.479 26.608 12.007 192 HB2 TYR 28 HB2 TYR 28 25.097 24.064 12.416 193 HB3 TYR 28 HB3 TYR 28 23.469 24.124 11.783 194 HD1 TYR 28 HD1 TYR 28 25.109 22.612 10.238 195 HD2 TYR 28 HD2 TYR 28 24.868 26.933 10.213 196 HE1 TYR 28 HE1 TYR 28 25.854 22.657 7.860 197 HE2 TYR 28 HE2 TYR 28 25.631 26.960 7.867 198 HH TYR 28 HH TYR 28 26.348 25.718 6.083 199 H LYS 29 H LYS 29 21.649 25.629 13.004 200 HA LYS 29 HA LYS 29 21.610 26.171 15.818 201 HB2 LYS 29 HB2 LYS 29 19.237 26.012 15.655 202 HB3 LYS 29 HB3 LYS 29 19.877 26.894 14.285 203 HG2 LYS 29 HG2 LYS 29 19.613 24.834 12.866 204 HG3 LYS 29 HG3 LYS 29 18.895 24.007 14.263 205 HD2 LYS 29 HD2 LYS 29 17.084 25.687 14.372 206 HD3 LYS 29 HD3 LYS 29 17.814 26.570 13.011 207 HE2 LYS 29 HE2 LYS 29 17.532 24.586 11.555 208 HE3 LYS 29 HE3 LYS 29 16.810 23.697 12.906 209 HZ1 LYS 29 HZ1 LYS 29 15.677 26.179 11.703 210 HZ2 LYS 29 HZ2 LYS 29 15.122 24.638 11.474 211 HZ3 LYS 29 HZ3 LYS 29 15.011 25.330 12.944 212 H TYR 30 H TYR 30 23.106 23.745 15.256 213 HA TYR 30 HA TYR 30 21.819 21.893 17.213 214 HB2 TYR 30 HB2 TYR 30 21.565 20.775 15.113 215 HB3 TYR 30 HB3 TYR 30 23.165 21.241 14.582 216 HD1 TYR 30 HD1 TYR 30 21.650 19.343 17.493 217 HD2 TYR 30 HD2 TYR 30 24.758 19.559 14.500 218 HE1 TYR 30 HE1 TYR 30 22.542 17.139 18.249 219 HE2 TYR 30 HE2 TYR 30 25.629 17.346 15.241 220 HH TYR 30 HH TYR 30 25.411 15.603 16.753 221 H CYS 31 H CYS 31 23.138 21.419 18.928 222 HA CYS 31 HA CYS 31 25.695 22.750 19.173 223 HB2 CYS 31 HB2 CYS 31 24.458 20.558 20.868 224 HB3 CYS 31 HB3 CYS 31 25.860 21.524 21.299 225 H GLN 32 H GLN 32 27.160 22.067 17.595 226 HA GLN 32 HA GLN 32 27.892 19.227 17.386 227 HB2 GLN 32 HB2 GLN 32 29.491 21.624 16.448 228 HB3 GLN 32 HB3 GLN 32 29.761 19.933 16.049 229 HG2 GLN 32 HG2 GLN 32 27.767 19.805 14.724 230 HG3 GLN 32 HG3 GLN 32 27.201 21.382 15.285 231 HE21 GLN 32 HE21 GLN 32 30.448 22.028 12.942 232 HE22 GLN 32 HE22 GLN 32 30.681 21.004 14.358 233 H CYS 33 H CYS 33 29.429 18.224 18.549 234 HA CYS 33 HA CYS 33 31.078 19.768 20.490 235 HB2 CYS 33 HB2 CYS 33 29.385 17.371 21.220 236 HB3 CYS 33 HB3 CYS 33 30.383 18.362 22.314 237 H GLN 34 H GLN 34 32.850 18.587 21.378 238 HA GLN 34 HA GLN 34 33.758 16.185 19.879 239 HB2 GLN 34 HB2 GLN 34 35.283 18.822 19.875 240 HB3 GLN 34 HB3 GLN 34 35.875 17.258 19.301 241 HG2 GLN 34 HG2 GLN 34 34.121 17.191 17.576 242 HG3 GLN 34 HG3 GLN 34 33.512 18.769 18.117 243 HE21 GLN 34 HE21 GLN 34 37.227 19.323 16.562 244 HE22 GLN 34 HE22 GLN 34 37.063 18.378 18.030
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