NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
650851 | 6t33 | 50027 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 TRP 1 H TRP 1 1.807 0.000 0.856 2 HA TRP 1 HA TRP 1 2.763 -0.846 -1.218 3 HB2 TRP 1 2HB TRP 1 0.177 0.228 -2.174 4 HB3 TRP 1 3HB TRP 1 1.544 0.436 -3.266 5 HD1 TRP 1 HD1 TRP 1 0.665 -2.630 -1.053 6 HE1 TRP 1 HE1 TRP 1 0.522 -4.693 -2.586 7 HE3 TRP 1 HE3 TRP 1 1.431 -0.346 -5.562 8 HZ2 TRP 1 HZ2 TRP 1 0.709 -5.275 -5.342 9 HZ3 TRP 1 HZ3 TRP 1 1.435 -1.727 -7.598 10 HH2 TRP 1 HH2 TRP 1 1.082 -4.141 -7.488 11 H GLY 2 H GLY 2 4.546 0.337 -0.694 12 HA2 GLY 2 2HA GLY 2 4.465 3.225 -1.296 13 HA3 GLY 2 3HA GLY 2 5.577 2.471 -0.163 14 H CYS 3 H CYS 3 4.998 3.354 -3.428 15 HA CYS 3 HA CYS 3 7.724 2.539 -4.110 16 HB2 CYS 3 2HB CYS 3 5.418 1.215 -5.082 17 HB3 CYS 3 3HB CYS 3 6.059 2.169 -6.416 18 H VAL 4 H VAL 4 8.775 4.261 -4.825 19 HA VAL 4 HA VAL 4 7.272 6.313 -6.316 20 HB VAL 4 HB VAL 4 7.947 7.080 -4.049 21 HG11 VAL 4 1HG1 VAL 4 10.389 5.838 -4.752 22 HG12 VAL 4 2HG1 VAL 4 10.710 7.561 -4.544 23 HG13 VAL 4 3HG1 VAL 4 9.964 6.638 -3.239 24 HG21 VAL 4 1HG2 VAL 4 8.590 9.213 -4.742 25 HG22 VAL 4 2HG2 VAL 4 9.536 8.592 -6.095 26 HG23 VAL 4 3HG2 VAL 4 7.775 8.545 -6.156 27 H CYS 5 H CYS 5 8.362 7.379 -8.004 28 HA CYS 5 HA CYS 5 10.963 6.293 -8.801 29 HB2 CYS 5 2HB CYS 5 8.585 6.461 -10.664 30 HB3 CYS 5 3HB CYS 5 10.207 5.925 -11.093 31 H SER 6 H SER 6 12.236 7.682 -10.002 32 HA SER 6 HA SER 6 11.379 10.472 -9.952 33 HB2 SER 6 2HB SER 6 13.550 9.975 -8.961 34 HB3 SER 6 3HB SER 6 14.094 9.232 -10.465 35 HG SER 6 HG SER 6 14.606 11.141 -11.147 36 H GLY 7 H GLY 7 9.909 9.434 -11.820 37 HA2 GLY 7 2HA GLY 7 10.794 10.699 -14.221 38 HA3 GLY 7 3HA GLY 7 10.858 8.948 -14.362 39 H SER 8 H SER 8 8.937 7.753 -14.361 40 HA SER 8 HA SER 8 6.466 9.340 -14.583 41 HB2 SER 8 2HB SER 8 7.760 7.796 -16.630 42 HB3 SER 8 3HB SER 8 6.203 7.063 -16.246 43 HG SER 8 HG SER 8 6.368 9.842 -16.597 44 H THR 9 H THR 9 4.506 7.745 -14.618 45 HA THR 9 HA THR 9 4.599 6.318 -12.131 46 HB THR 9 HB THR 9 2.180 5.638 -13.123 47 HG1 THR 9 HG1 THR 9 1.726 6.791 -14.828 48 HG21 THR 9 1HG2 THR 9 1.960 8.343 -12.235 49 HG22 THR 9 2HG2 THR 9 3.227 7.541 -11.306 50 HG23 THR 9 3HG2 THR 9 1.601 6.859 -11.353 51 H ALA 10 H ALA 10 4.407 5.450 -15.544 52 HA ALA 10 HA ALA 10 3.829 2.746 -15.337 53 HB1 ALA 10 1HB ALA 10 3.816 3.297 -17.520 54 HB2 ALA 10 2HB ALA 10 5.118 4.474 -17.341 55 HB3 ALA 10 3HB ALA 10 5.494 2.755 -17.461 56 H VAL 11 H VAL 11 6.920 4.414 -14.997 57 HA VAL 11 HA VAL 11 8.398 1.949 -14.695 58 HB VAL 11 HB VAL 11 9.478 3.883 -15.732 59 HG11 VAL 11 1HG1 VAL 11 10.109 5.831 -14.363 60 HG12 VAL 11 2HG1 VAL 11 8.360 5.668 -14.531 61 HG13 VAL 11 3HG1 VAL 11 9.151 5.185 -13.030 62 HG21 VAL 11 1HG2 VAL 11 11.401 3.054 -14.995 63 HG22 VAL 11 2HG2 VAL 11 11.204 3.887 -13.453 64 HG23 VAL 11 3HG2 VAL 11 10.534 2.271 -13.674 65 H ALA 12 H ALS 12 6.931 4.355 -12.636 66 HB1 ALA 12 1HB ALS 12 5.358 4.607 -10.545 67 HB2 ALA 12 2HB ALS 12 6.385 4.867 -9.134 68 HB3 ALA 12 3HB ALS 12 6.714 5.731 -10.636 69 H ASN 13 H ASN 13 5.276 2.385 -11.546 70 HA ASN 13 HA ASN 13 5.056 0.520 -9.367 71 HB2 ASN 13 2HB ASN 13 3.056 -0.194 -10.359 72 HB3 ASN 13 3HB ASN 13 3.144 1.510 -10.796 73 HD21 ASN 13 1HD2 ASN 13 3.831 2.057 -12.929 74 HD22 ASN 13 2HD2 ASN 13 3.599 0.944 -14.230 75 H SER 14 H SER 14 6.513 0.569 -12.509 76 HA SER 14 HA SER 14 6.642 -2.108 -13.171 77 HB2 SER 14 2HB SER 14 7.454 -0.420 -14.697 78 HB3 SER 14 3HB SER 14 8.721 0.056 -13.566 79 HG SER 14 HG SER 14 8.878 -1.756 -15.453 80 H HIS 15 H HIS 15 8.547 -0.309 -10.831 81 HA HIS 15 HA HIS 15 10.163 -2.667 -10.232 82 HB2 HIS 15 2HB HIS 15 10.598 0.142 -10.092 83 HB3 HIS 15 3HB HIS 15 10.724 -0.502 -8.457 84 HD1 HIS 15 HD1 HIS 15 12.591 -2.318 -8.053 85 HD2 HIS 15 HD2 HIS 15 12.706 -0.460 -11.767 86 HE1 HIS 15 HE1 HIS 15 14.858 -2.853 -9.003 87 H ASN 16 H NSS 16 8.356 -0.261 -8.308 88 HB2 ASN 16 2HB NSS 16 6.023 -2.066 -8.055 89 HB3 ASN 16 3HB NSS 16 6.463 -3.238 -6.816 90 HD21 ASN 16 1HD2 NSS 16 4.809 -0.183 -7.370 91 HD22 ASN 16 2HD2 NSS 16 3.713 -0.326 -6.042 92 H ALA 17 H ALA 17 6.785 -2.435 -4.533 93 HA ALA 17 HA ALA 17 8.986 -4.130 -4.006 94 HB1 ALA 17 1HB ALA 17 10.385 -2.923 -2.752 95 HB2 ALA 17 2HB ALA 17 9.583 -1.511 -3.441 96 HB3 ALA 17 3HB ALA 17 9.068 -2.142 -1.877 97 H GLY 18 H GLY 18 6.775 -2.052 -2.114 98 HA2 GLY 18 2HA GLY 18 4.756 -3.594 -1.423 99 HA3 GLY 18 3HA GLY 18 6.031 -4.382 -0.507 100 HA PRO 19 HA PRO 19 4.103 -0.687 1.787 101 HB2 PRO 19 2HB PRO 19 2.638 -2.081 3.599 102 HB3 PRO 19 3HB PRO 19 1.991 -1.555 2.041 103 HG2 PRO 19 2HG PRO 19 3.047 -4.238 2.846 104 HG3 PRO 19 3HG PRO 19 1.608 -3.844 1.888 105 HD2 PRO 19 2HD PRO 19 3.933 -4.651 0.759 106 HD3 PRO 19 3HD PRO 19 2.827 -3.516 -0.041 107 H ALA 20 H ALA 20 5.687 -3.667 2.565 108 HA ALA 20 HA ALA 20 6.497 -2.735 5.207 109 HB1 ALA 20 1HB ALA 20 5.895 -5.036 5.115 110 HB2 ALA 20 2HB ALA 20 6.963 -5.323 3.740 111 HB3 ALA 20 3HB ALA 20 7.645 -4.960 5.326 112 H TYR 21 H TYR 21 7.720 -2.980 1.976 113 HA TYR 21 HA TYR 21 10.429 -2.309 2.894 114 HB2 TYR 21 2HB TYR 21 9.556 -3.128 0.118 115 HB3 TYR 21 3HB TYR 21 11.208 -2.982 0.709 116 HD1 TYR 21 HD1 TYR 21 12.208 -4.717 2.044 117 HD2 TYR 21 HD2 TYR 21 8.142 -5.008 0.824 118 HE1 TYR 21 HE1 TYR 21 12.184 -7.085 2.708 119 HE2 TYR 21 HE2 TYR 21 8.107 -7.377 1.486 120 HH TYR 21 HH TYR 21 10.844 -8.868 3.123 121 H CYS 22 H CYS 22 11.578 -0.583 1.893 122 HA CYS 22 HA CYS 22 9.848 1.447 0.640 123 HB2 CYS 22 2HB CYS 22 12.001 1.828 2.726 124 HB3 CYS 22 3HB CYS 22 11.304 3.152 1.799 125 H VAL 23 H VAL 23 10.496 2.045 -1.313 126 HA VAL 23 HA VAL 23 13.356 1.812 -1.986 127 HB VAL 23 HB VAL 23 11.034 1.226 -3.829 128 HG11 VAL 23 1HG1 VAL 23 12.546 1.878 -5.369 129 HG12 VAL 23 2HG1 VAL 23 13.912 1.675 -4.270 130 HG13 VAL 23 3HG1 VAL 23 13.222 0.274 -5.089 131 HG21 VAL 23 1HG2 VAL 23 11.292 -0.570 -2.260 132 HG22 VAL 23 2HG2 VAL 23 11.960 -1.088 -3.808 133 HG23 VAL 23 3HG2 VAL 23 13.039 -0.595 -2.503 134 H GLY 24 H GLY 24 14.263 3.475 -3.117 135 HA2 GLY 24 2HA GLY 24 12.473 5.664 -3.957 136 HA3 GLY 24 3HA GLY 24 13.896 5.992 -2.979 137 H TYR 25 H TYR 25 12.687 5.320 -6.137 138 HA TYR 25 HA TYR 25 15.204 4.835 -7.390 139 HB2 TYR 25 2HB TYR 25 12.660 4.436 -8.170 140 HB3 TYR 25 3HB TYR 25 12.975 5.959 -8.994 141 HD1 TYR 25 HD1 TYR 25 13.631 5.749 -11.187 142 HD2 TYR 25 HD2 TYR 25 14.807 2.746 -8.412 143 HE1 TYR 25 HE1 TYR 25 14.780 4.539 -12.993 144 HE2 TYR 25 HE2 TYR 25 15.960 1.528 -10.211 145 HH TYR 25 HH TYR 25 15.751 2.579 -13.569 146 H CYS 26 H CYS 26 16.759 6.293 -7.579 147 HA CYS 26 HA CYS 26 16.006 9.107 -8.029 148 HB2 CYS 26 2HB CYS 26 18.293 7.915 -6.471 149 HB3 CYS 26 3HB CYS 26 18.322 9.584 -7.030 150 H GLY 27 H GLY 27 17.945 10.346 -9.050 151 HA2 GLY 27 2HA GLY 27 19.284 8.680 -11.070 152 HA3 GLY 27 3HA GLY 27 18.301 10.038 -11.597 153 H ASN 28 H ASN 28 19.668 11.534 -12.328 154 HA ASN 28 HA ASN 28 22.071 12.129 -10.738 155 HB2 ASN 28 2HB ASN 28 23.017 13.102 -12.764 156 HB3 ASN 28 3HB ASN 28 22.480 11.454 -13.080 157 HD21 ASN 28 1HD2 ASN 28 22.920 13.283 -15.100 158 HD22 ASN 28 2HD2 ASN 28 21.413 13.672 -15.850 159 H ASN 29 H ASN 29 19.671 13.123 -9.796 160 HA ASN 29 HA ASN 29 19.571 15.922 -10.646 161 HB2 ASN 29 2HB ASN 29 17.759 14.413 -8.749 162 HB3 ASN 29 3HB ASN 29 17.510 16.057 -9.327 163 HD21 ASN 29 1HD2 ASN 29 16.420 13.068 -9.684 164 HD22 ASN 29 2HD2 ASN 29 15.941 13.090 -11.344 165 H GLY 30 H GLY 30 20.414 13.891 -7.924 166 HA2 GLY 30 2HA GLY 30 22.288 15.325 -6.709 167 HA3 GLY 30 3HA GLY 30 20.853 16.198 -6.194 168 H VAL 31 H VAL 31 22.758 14.785 -4.540 169 HA VAL 31 HA VAL 31 21.927 12.265 -3.713 170 HB VAL 31 HB VAL 31 23.044 14.443 -1.942 171 HG11 VAL 31 1HG1 VAL 31 22.333 11.663 -1.496 172 HG12 VAL 31 2HG1 VAL 31 24.021 12.000 -1.106 173 HG13 VAL 31 3HG1 VAL 31 22.734 12.928 -0.335 174 HG21 VAL 31 1HG2 VAL 31 24.706 14.320 -3.492 175 HG22 VAL 31 2HG2 VAL 31 25.177 12.951 -2.486 176 HG23 VAL 31 3HG2 VAL 31 24.282 12.679 -3.981 177 H VAL 32 H VAL 32 20.744 15.458 -2.779 178 HA VAL 32 HA VAL 32 19.119 14.761 -0.639 179 HB VAL 32 HB VAL 32 18.584 16.881 -2.725 180 HG11 VAL 32 1HG1 VAL 32 17.417 16.373 -0.004 181 HG12 VAL 32 2HG1 VAL 32 17.366 17.962 -0.770 182 HG13 VAL 32 3HG1 VAL 32 16.575 16.585 -1.539 183 HG21 VAL 32 1HG2 VAL 32 19.518 18.227 -0.602 184 HG22 VAL 32 2HG2 VAL 32 20.410 16.718 -0.407 185 HG23 VAL 32 3HG2 VAL 32 20.554 17.639 -1.903 186 H THR 33 H THR 33 18.249 14.962 -4.087 187 HA THR 33 HA THR 33 15.586 14.222 -3.894 188 HB THR 33 HB THR 33 17.015 13.076 -6.208 189 HG1 THR 33 HG1 THR 33 18.127 14.808 -6.671 190 HG21 THR 33 1HG2 THR 33 14.946 15.232 -6.300 191 HG22 THR 33 2HG2 THR 33 14.480 13.602 -5.814 192 HG23 THR 33 3HG2 THR 33 15.204 13.876 -7.398 193 H ARG 34 H RSS 34 18.429 12.128 -4.327 194 HB2 ARG 34 2HB RSS 34 19.533 9.825 -4.878 195 HB3 ARG 34 3HB RSS 34 19.792 10.418 -3.243 196 HG2 ARG 34 2HG RSS 34 18.488 7.792 -3.430 197 HG3 ARG 34 3HG RSS 34 20.153 7.859 -4.010 198 HD2 ARG 34 2HD RSS 34 20.773 8.957 -1.852 199 HD3 ARG 34 3HD RSS 34 19.130 8.653 -1.289 200 HE ARG 34 HE RSS 34 19.703 6.471 -0.928 201 HH11 ARG 34 1HH2 RSS 34 21.092 4.662 -0.881 202 HH12 ARG 34 2HH2 RSS 34 22.572 4.701 -1.777 203 HH21 ARG 34 1HH1 RSS 34 22.067 7.927 -3.028 204 HH22 ARG 34 2HH1 RSS 34 23.128 6.558 -2.999 205 H ASN 35 H ASN 35 17.654 11.669 -1.718 206 HA ASN 35 HA ASN 35 16.904 9.587 0.137 207 HB2 ASN 35 2HB ASN 35 17.346 12.557 0.504 208 HB3 ASN 35 3HB ASN 35 16.973 11.444 1.817 209 HD21 ASN 35 1HD2 ASN 35 19.401 13.043 0.411 210 HD22 ASN 35 2HD2 ASN 35 20.722 11.988 0.770 211 H ALA 36 H ALA 36 15.434 12.545 -1.159 212 HA ALA 36 HA ALA 36 13.065 12.553 0.269 213 HB1 ALA 36 1HB ALA 36 12.183 13.519 -2.056 214 HB2 ALA 36 2HB ALA 36 13.225 14.443 -0.972 215 HB3 ALA 36 3HB ALA 36 13.918 13.606 -2.361 216 H ASN 37 H ASN 37 13.883 10.767 -2.674 217 HA ASN 37 HA ASN 37 11.362 9.740 -3.271 218 HB2 ASN 37 2HB ASN 37 14.149 8.715 -3.764 219 HB3 ASN 37 3HB ASN 37 12.736 7.800 -4.283 220 HD21 ASN 37 1HD2 ASN 37 11.735 8.355 -6.116 221 HD22 ASN 37 2HD2 ASN 37 12.144 9.724 -7.088 222 H ALA 38 H ALA 38 13.991 8.058 -1.536 223 HA ALA 38 HA ALA 38 12.505 5.850 -0.723 224 HB1 ALA 38 1HB ALA 38 14.940 7.168 0.440 225 HB2 ALA 38 2HB ALA 38 14.241 5.707 1.138 226 HB3 ALA 38 3HB ALA 38 14.837 5.693 -0.522 227 H ASN 39 H ASN 39 12.556 9.086 0.509 228 HA ASN 39 HA ASN 39 11.498 8.528 3.089 229 HB2 ASN 39 2HB ASN 39 12.198 10.877 1.527 230 HB3 ASN 39 3HB ASN 39 10.707 11.120 2.433 231 HD21 ASN 39 1HD2 ASN 39 13.691 11.942 2.628 232 HD22 ASN 39 2HD2 ASN 39 14.029 11.742 4.311 233 H VAL 40 H VAL 40 10.096 9.077 -0.065 234 HA VAL 40 HA VAL 40 7.412 9.414 0.904 235 HB VAL 40 HB VAL 40 8.323 8.753 -1.899 236 HG11 VAL 40 1HG1 VAL 40 5.974 8.316 -1.587 237 HG12 VAL 40 2HG1 VAL 40 5.745 9.892 -0.827 238 HG13 VAL 40 3HG1 VAL 40 6.166 9.790 -2.537 239 HG21 VAL 40 1HG2 VAL 40 8.417 11.234 -0.337 240 HG22 VAL 40 2HG2 VAL 40 9.312 10.768 -1.784 241 HG23 VAL 40 3HG2 VAL 40 7.669 11.392 -1.926 242 H ALA 41 H ALA 41 9.403 6.754 -0.168 243 HA ALA 41 HA ALA 41 7.183 4.907 -0.343 244 HB1 ALA 41 1HB ALA 41 8.908 4.485 -1.886 245 HB2 ALA 41 2HB ALA 41 10.157 4.597 -0.645 246 HB3 ALA 41 3HB ALA 41 9.054 3.221 -0.665 247 H LYS 42 H KSS 42 10.051 5.276 1.739 248 HB2 LYS 42 2HB KSS 42 11.044 4.301 5.021 249 HB3 LYS 42 3HB KSS 42 11.601 4.727 3.408 250 HG2 LYS 42 2HG KSS 42 10.453 6.885 3.593 251 HG3 LYS 42 3HG KSS 42 9.933 6.457 5.225 252 HD2 LYS 42 2HD KSS 42 12.827 6.522 4.399 253 HD3 LYS 42 3HD KSS 42 11.987 7.931 5.051 254 HE2 LYS 42 2HE KSS 42 12.156 7.165 7.137 255 HE3 LYS 42 3HE KSS 42 11.544 5.578 6.676 256 HZ1 LYS 42 1HZ KSS 42 13.634 4.764 6.344 257 HZ2 LYS 42 2HZ KSS 42 13.961 5.871 7.581 258 HZ3 LYS 42 3HZ KSS 42 14.304 6.273 5.974 259 H THR 43 H THR 43 8.064 6.349 3.336 260 HA THR 43 HA THR 43 6.696 6.009 5.868 261 HB THR 43 HB THR 43 6.317 8.148 3.764 262 HG1 THR 43 HG1 THR 43 8.203 8.766 4.508 263 HG21 THR 43 1HG2 THR 43 4.389 8.044 5.184 264 HG22 THR 43 2HG2 THR 43 5.360 9.424 5.697 265 HG23 THR 43 3HG2 THR 43 5.394 7.926 6.627 266 H ALA 44 H ALA 44 5.995 5.741 2.438 267 HA ALA 44 HA ALA 44 3.204 5.605 2.553 268 HB1 ALA 44 1HB ALA 44 3.734 3.993 0.463 269 HB2 ALA 44 2HB ALA 44 3.811 5.754 0.387 270 HB3 ALA 44 3HB ALA 44 5.286 4.816 0.623 Start of MODEL 2 1 H1 TRP 1 H TRP 1 1.366 0.746 0.708 2 HA TRP 1 HA TRP 1 3.092 -0.659 -1.223 3 HB2 TRP 1 2HB TRP 1 0.429 0.525 -1.467 4 HB3 TRP 1 3HB TRP 1 1.543 1.074 -2.715 5 HD1 TRP 1 HD1 TRP 1 0.843 -2.431 -1.167 6 HE1 TRP 1 HE1 TRP 1 0.568 -4.100 -3.107 7 HE3 TRP 1 HE3 TRP 1 1.463 0.780 -5.097 8 HZ2 TRP 1 HZ2 TRP 1 0.608 -4.061 -5.929 9 HZ3 TRP 1 HZ3 TRP 1 1.330 -0.116 -7.384 10 HH2 TRP 1 HH2 TRP 1 0.912 -2.487 -7.790 11 H GLY 2 H GLY 2 4.996 0.398 -0.612 12 HA2 GLY 2 2HA GLY 2 5.029 3.315 -1.062 13 HA3 GLY 2 3HA GLY 2 6.167 2.450 -0.040 14 H CYS 3 H CYS 3 5.289 3.281 -3.307 15 HA CYS 3 HA CYS 3 7.996 2.559 -4.163 16 HB2 CYS 3 2HB CYS 3 5.838 0.993 -4.838 17 HB3 CYS 3 3HB CYS 3 5.963 2.076 -6.220 18 H VAL 4 H VAL 4 8.924 4.318 -4.951 19 HA VAL 4 HA VAL 4 7.277 6.218 -6.486 20 HB VAL 4 HB VAL 4 7.830 7.126 -4.243 21 HG11 VAL 4 1HG1 VAL 4 9.946 6.040 -3.849 22 HG12 VAL 4 2HG1 VAL 4 10.672 6.877 -5.222 23 HG13 VAL 4 3HG1 VAL 4 10.173 7.788 -3.796 24 HG21 VAL 4 1HG2 VAL 4 7.572 8.519 -6.352 25 HG22 VAL 4 2HG2 VAL 4 8.412 9.280 -5.002 26 HG23 VAL 4 3HG2 VAL 4 9.331 8.639 -6.363 27 H CYS 5 H CYS 5 8.298 7.287 -8.206 28 HA CYS 5 HA CYS 5 10.998 6.389 -8.912 29 HB2 CYS 5 2HB CYS 5 8.698 6.370 -10.873 30 HB3 CYS 5 3HB CYS 5 10.349 5.835 -11.169 31 H SER 6 H SER 6 12.231 7.893 -9.933 32 HA SER 6 HA SER 6 11.210 10.596 -9.985 33 HB2 SER 6 2HB SER 6 13.651 11.019 -10.818 34 HB3 SER 6 3HB SER 6 13.382 10.540 -9.143 35 HG SER 6 HG SER 6 15.025 9.287 -10.046 36 H GLY 7 H GLY 7 9.633 9.924 -11.729 37 HA2 GLY 7 2HA GLY 7 10.354 11.085 -14.169 38 HA3 GLY 7 3HA GLY 7 10.502 9.343 -14.349 39 H SER 8 H SER 8 8.669 8.068 -14.405 40 HA SER 8 HA SER 8 6.100 9.511 -14.405 41 HB2 SER 8 2HB SER 8 7.210 8.653 -16.682 42 HB3 SER 8 3HB SER 8 6.425 7.152 -16.193 43 HG SER 8 HG SER 8 4.559 7.995 -16.666 44 H THR 9 H THR 9 4.242 7.771 -14.453 45 HA THR 9 HA THR 9 4.532 6.267 -12.022 46 HB THR 9 HB THR 9 2.189 6.340 -13.933 47 HG1 THR 9 HG1 THR 9 2.723 7.869 -11.583 48 HG21 THR 9 1HG2 THR 9 1.509 5.918 -11.182 49 HG22 THR 9 2HG2 THR 9 2.699 4.717 -11.683 50 HG23 THR 9 3HG2 THR 9 1.187 4.886 -12.575 51 H ALA 10 H ALA 10 4.251 5.531 -15.458 52 HA ALA 10 HA ALA 10 3.836 2.790 -15.345 53 HB1 ALA 10 1HB ALA 10 4.432 2.715 -17.581 54 HB2 ALA 10 2HB ALA 10 3.939 4.396 -17.373 55 HB3 ALA 10 3HB ALA 10 5.652 3.976 -17.405 56 H VAL 11 H VAL 11 6.814 4.635 -14.991 57 HA VAL 11 HA VAL 11 8.463 2.260 -14.896 58 HB VAL 11 HB VAL 11 9.393 4.296 -15.859 59 HG11 VAL 11 1HG1 VAL 11 9.943 6.213 -14.371 60 HG12 VAL 11 2HG1 VAL 11 8.212 5.979 -14.621 61 HG13 VAL 11 3HG1 VAL 11 8.964 5.461 -13.112 62 HG21 VAL 11 1HG2 VAL 11 10.623 2.642 -13.998 63 HG22 VAL 11 2HG2 VAL 11 11.424 3.696 -15.163 64 HG23 VAL 11 3HG2 VAL 11 11.106 4.271 -13.527 65 H ALA 12 H ALS 12 6.888 4.417 -12.661 66 HB1 ALA 12 1HB ALS 12 5.447 4.595 -10.539 67 HB2 ALA 12 2HB ALS 12 6.474 4.719 -9.110 68 HB3 ALA 12 3HB ALS 12 6.811 5.714 -10.526 69 H ASN 13 H ASN 13 5.326 2.420 -11.613 70 HA ASN 13 HA ASN 13 5.155 0.445 -9.548 71 HB2 ASN 13 2HB ASN 13 3.190 -0.289 -10.608 72 HB3 ASN 13 3HB ASN 13 3.233 1.439 -10.946 73 HD21 ASN 13 1HD2 ASN 13 3.913 2.129 -13.035 74 HD22 ASN 13 2HD2 ASN 13 3.734 1.085 -14.400 75 H SER 14 H SER 14 6.615 0.633 -12.692 76 HA SER 14 HA SER 14 6.824 -2.023 -13.419 77 HB2 SER 14 2HB SER 14 8.192 0.452 -14.075 78 HB3 SER 14 3HB SER 14 9.299 -0.920 -14.101 79 HG SER 14 HG SER 14 7.311 -0.267 -15.834 80 H HIS 15 H HIS 15 8.725 -0.206 -11.080 81 HA HIS 15 HA HIS 15 10.364 -2.561 -10.514 82 HB2 HIS 15 2HB HIS 15 11.048 0.067 -10.655 83 HB3 HIS 15 3HB HIS 15 10.779 -0.110 -8.923 84 HD1 HIS 15 HD1 HIS 15 13.226 -0.764 -11.556 85 HD2 HIS 15 HD2 HIS 15 12.471 -2.141 -7.709 86 HE1 HIS 15 HE1 HIS 15 15.339 -1.916 -10.827 87 H ASN 16 H NSS 16 8.593 -0.124 -8.597 88 HB2 ASN 16 2HB NSS 16 6.291 -1.952 -8.240 89 HB3 ASN 16 3HB NSS 16 6.778 -3.085 -6.982 90 HD21 ASN 16 1HD2 NSS 16 5.092 -0.046 -7.554 91 HD22 ASN 16 2HD2 NSS 16 4.022 -0.177 -6.204 92 H ALA 17 H ALA 17 7.144 -2.218 -4.730 93 HA ALA 17 HA ALA 17 9.453 -3.809 -4.224 94 HB1 ALA 17 1HB ALA 17 10.105 -1.330 -3.725 95 HB2 ALA 17 2HB ALA 17 9.193 -1.597 -2.239 96 HB3 ALA 17 3HB ALA 17 10.583 -2.615 -2.615 97 H GLY 18 H GLY 18 7.210 -1.936 -2.167 98 HA2 GLY 18 2HA GLY 18 5.263 -3.700 -1.607 99 HA3 GLY 18 3HA GLY 18 6.594 -4.329 -0.646 100 HA PRO 19 HA PRO 19 4.201 -0.853 1.547 101 HB2 PRO 19 2HB PRO 19 2.867 -2.384 3.349 102 HB3 PRO 19 3HB PRO 19 2.199 -1.959 1.769 103 HG2 PRO 19 2HG PRO 19 3.542 -4.489 2.638 104 HG3 PRO 19 3HG PRO 19 2.089 -4.278 1.643 105 HD2 PRO 19 2HD PRO 19 4.518 -4.823 0.577 106 HD3 PRO 19 3HD PRO 19 3.306 -3.835 -0.264 107 H ALA 20 H ALA 20 6.163 -3.568 2.357 108 HA ALA 20 HA ALA 20 6.847 -2.416 4.969 109 HB1 ALA 20 1HB ALA 20 6.965 -5.142 3.818 110 HB2 ALA 20 2HB ALA 20 8.214 -4.702 4.983 111 HB3 ALA 20 3HB ALA 20 6.513 -4.611 5.438 112 H TYR 21 H TYR 21 8.075 -2.979 1.782 113 HA TYR 21 HA TYR 21 10.773 -2.174 2.617 114 HB2 TYR 21 2HB TYR 21 9.887 -3.298 -0.046 115 HB3 TYR 21 3HB TYR 21 11.545 -3.028 0.480 116 HD1 TYR 21 HD1 TYR 21 8.542 -5.110 0.973 117 HD2 TYR 21 HD2 TYR 21 12.663 -4.598 1.895 118 HE1 TYR 21 HE1 TYR 21 8.615 -7.393 1.886 119 HE2 TYR 21 HE2 TYR 21 12.748 -6.879 2.810 120 HH TYR 21 HH TYR 21 9.932 -9.022 2.668 121 H CYS 22 H CYS 22 11.681 -0.305 1.945 122 HA CYS 22 HA CYS 22 9.988 1.486 0.339 123 HB2 CYS 22 2HB CYS 22 12.175 2.139 2.325 124 HB3 CYS 22 3HB CYS 22 11.278 3.329 1.387 125 H VAL 23 H VAL 23 10.735 2.377 -1.509 126 HA VAL 23 HA VAL 23 13.568 2.064 -2.193 127 HB VAL 23 HB VAL 23 11.311 1.230 -4.021 128 HG11 VAL 23 1HG1 VAL 23 12.732 1.560 -5.693 129 HG12 VAL 23 2HG1 VAL 23 13.989 2.073 -4.565 130 HG13 VAL 23 3HG1 VAL 23 13.814 0.367 -4.977 131 HG21 VAL 23 1HG2 VAL 23 12.183 -1.019 -3.798 132 HG22 VAL 23 2HG2 VAL 23 13.456 -0.447 -2.719 133 HG23 VAL 23 3HG2 VAL 23 11.769 -0.379 -2.208 134 H GLY 24 H GLY 24 14.331 3.983 -2.770 135 HA2 GLY 24 2HA GLY 24 12.466 5.919 -3.991 136 HA3 GLY 24 3HA GLY 24 13.858 6.360 -3.013 137 H TYR 25 H TYR 25 12.718 5.544 -6.155 138 HA TYR 25 HA TYR 25 15.176 5.015 -7.427 139 HB2 TYR 25 2HB TYR 25 12.614 4.867 -8.221 140 HB3 TYR 25 3HB TYR 25 13.051 6.397 -8.974 141 HD1 TYR 25 HD1 TYR 25 13.705 6.246 -11.172 142 HD2 TYR 25 HD2 TYR 25 14.600 3.013 -8.555 143 HE1 TYR 25 HE1 TYR 25 14.752 5.034 -13.038 144 HE2 TYR 25 HE2 TYR 25 15.650 1.791 -10.414 145 HH TYR 25 HH TYR 25 15.966 3.252 -13.626 146 H CYS 26 H CYS 26 16.855 6.344 -7.498 147 HA CYS 26 HA CYS 26 16.361 9.199 -8.029 148 HB2 CYS 26 2HB CYS 26 18.465 8.015 -6.206 149 HB3 CYS 26 3HB CYS 26 18.350 9.718 -6.640 150 H GLY 27 H GLY 27 17.194 9.812 -9.907 151 HA2 GLY 27 2HA GLY 27 19.822 8.852 -10.716 152 HA3 GLY 27 3HA GLY 27 18.489 8.434 -11.782 153 H ASN 28 H ASN 28 20.952 10.402 -11.696 154 HA ASN 28 HA ASN 28 21.494 12.376 -12.685 155 HB2 ASN 28 2HB ASN 28 18.737 12.283 -13.919 156 HB3 ASN 28 3HB ASN 28 20.148 13.144 -14.525 157 HD21 ASN 28 1HD2 ASN 28 18.637 11.316 -16.017 158 HD22 ASN 28 2HD2 ASN 28 19.642 9.962 -16.393 159 H ASN 29 H ASN 29 20.448 12.486 -10.081 160 HA ASN 29 HA ASN 29 19.306 15.188 -10.113 161 HB2 ASN 29 2HB ASN 29 18.378 13.154 -8.098 162 HB3 ASN 29 3HB ASN 29 17.638 14.693 -8.528 163 HD21 ASN 29 1HD2 ASN 29 17.100 11.566 -8.676 164 HD22 ASN 29 2HD2 ASN 29 16.244 11.438 -10.172 165 H GLY 30 H GLY 30 20.517 12.679 -7.875 166 HA2 GLY 30 2HA GLY 30 22.828 13.441 -6.983 167 HA3 GLY 30 3HA GLY 30 21.893 14.797 -6.369 168 H VAL 31 H VAL 31 22.923 13.889 -4.340 169 HA VAL 31 HA VAL 31 21.895 11.452 -3.264 170 HB VAL 31 HB VAL 31 23.208 13.753 -1.811 171 HG11 VAL 31 1HG1 VAL 31 23.839 11.532 -0.410 172 HG12 VAL 31 2HG1 VAL 31 22.467 12.577 -0.036 173 HG13 VAL 31 3HG1 VAL 31 22.225 11.106 -0.978 174 HG21 VAL 31 1HG2 VAL 31 24.638 12.891 -3.582 175 HG22 VAL 31 2HG2 VAL 31 25.269 12.434 -1.999 176 HG23 VAL 31 3HG2 VAL 31 24.413 11.247 -2.984 177 H VAL 32 H VAL 32 21.154 14.885 -2.780 178 HA VAL 32 HA VAL 32 19.333 14.712 -0.713 179 HB VAL 32 HB VAL 32 19.183 16.561 -3.099 180 HG11 VAL 32 1HG1 VAL 32 18.015 18.059 -1.434 181 HG12 VAL 32 2HG1 VAL 32 17.095 16.657 -1.986 182 HG13 VAL 32 3HG1 VAL 32 17.861 16.641 -0.397 183 HG21 VAL 32 1HG2 VAL 32 20.655 16.723 -0.483 184 HG22 VAL 32 2HG2 VAL 32 21.304 16.866 -2.117 185 HG23 VAL 32 3HG2 VAL 32 20.294 18.151 -1.454 186 H THR 33 H THR 33 18.580 14.656 -4.200 187 HA THR 33 HA THR 33 15.847 14.189 -3.980 188 HB THR 33 HB THR 33 17.218 12.826 -6.223 189 HG1 THR 33 HG1 THR 33 18.589 14.473 -6.340 190 HG21 THR 33 1HG2 THR 33 15.393 15.010 -6.813 191 HG22 THR 33 2HG2 THR 33 14.689 13.831 -5.705 192 HG23 THR 33 3HG2 THR 33 15.304 13.311 -7.274 193 H ARG 34 H RSS 34 18.516 11.857 -4.214 194 HB2 ARG 34 2HB RSS 34 19.458 9.450 -4.595 195 HB3 ARG 34 3HB RSS 34 19.694 10.111 -2.983 196 HG2 ARG 34 2HG RSS 34 18.172 7.645 -2.938 197 HG3 ARG 34 3HG RSS 34 19.753 7.447 -3.696 198 HD2 ARG 34 2HD RSS 34 19.716 9.026 -1.209 199 HD3 ARG 34 3HD RSS 34 19.319 7.317 -1.032 200 HE ARG 34 HE RSS 34 21.591 7.400 -2.583 201 HH11 ARG 34 1HH2 RSS 34 23.689 7.163 -1.720 202 HH12 ARG 34 2HH2 RSS 34 23.974 7.547 -0.056 203 HH21 ARG 34 1HH1 RSS 34 20.663 8.461 0.600 204 HH22 ARG 34 2HH1 RSS 34 22.254 8.284 1.265 205 H ASN 35 H ASN 35 17.599 11.600 -1.623 206 HA ASN 35 HA ASN 35 16.602 9.683 0.295 207 HB2 ASN 35 2HB ASN 35 17.267 12.623 0.555 208 HB3 ASN 35 3HB ASN 35 16.780 11.590 1.895 209 HD21 ASN 35 1HD2 ASN 35 19.353 12.969 0.534 210 HD22 ASN 35 2HD2 ASN 35 20.585 11.834 0.957 211 H ALA 36 H ALA 36 15.446 12.662 -1.239 212 HA ALA 36 HA ALA 36 13.041 12.983 0.086 213 HB1 ALA 36 1HB ALA 36 12.707 14.622 -1.390 214 HB2 ALA 36 2HB ALA 36 14.282 14.186 -2.055 215 HB3 ALA 36 3HB ALA 36 12.811 13.521 -2.765 216 H ASN 37 H ASN 37 13.738 10.986 -2.766 217 HA ASN 37 HA ASN 37 11.100 10.086 -3.180 218 HB2 ASN 37 2HB ASN 37 13.795 8.995 -3.970 219 HB3 ASN 37 3HB ASN 37 12.304 8.153 -4.381 220 HD21 ASN 37 1HD2 ASN 37 12.020 8.452 -6.477 221 HD22 ASN 37 2HD2 ASN 37 12.059 9.975 -7.292 222 H ALA 38 H ALA 38 13.851 8.526 -1.539 223 HA ALA 38 HA ALA 38 12.537 6.207 -0.726 224 HB1 ALA 38 1HB ALA 38 14.296 6.023 0.991 225 HB2 ALA 38 2HB ALA 38 14.943 6.419 -0.602 226 HB3 ALA 38 3HB ALA 38 14.796 7.675 0.628 227 H ASN 39 H ASN 39 12.373 9.439 0.516 228 HA ASN 39 HA ASN 39 11.352 8.796 3.094 229 HB2 ASN 39 2HB ASN 39 11.753 11.235 1.483 230 HB3 ASN 39 3HB ASN 39 10.422 11.316 2.634 231 HD21 ASN 39 1HD2 ASN 39 13.119 12.606 2.503 232 HD22 ASN 39 2HD2 ASN 39 13.830 12.286 4.046 233 H VAL 40 H VAL 40 9.917 9.322 -0.055 234 HA VAL 40 HA VAL 40 7.219 9.471 0.918 235 HB VAL 40 HB VAL 40 8.237 8.978 -1.884 236 HG11 VAL 40 1HG1 VAL 40 5.862 9.993 -2.341 237 HG12 VAL 40 2HG1 VAL 40 6.057 8.268 -2.023 238 HG13 VAL 40 3HG1 VAL 40 5.510 9.346 -0.738 239 HG21 VAL 40 1HG2 VAL 40 8.948 11.105 -1.598 240 HG22 VAL 40 2HG2 VAL 40 7.256 11.481 -1.922 241 HG23 VAL 40 3HG2 VAL 40 7.841 11.411 -0.259 242 H ALA 41 H ALA 41 9.322 6.965 -0.368 243 HA ALA 41 HA ALA 41 7.230 4.992 -0.514 244 HB1 ALA 41 1HB ALA 41 9.580 5.212 -1.781 245 HB2 ALA 41 2HB ALA 41 10.053 4.121 -0.478 246 HB3 ALA 41 3HB ALA 41 8.739 3.677 -1.567 247 H LYS 42 H KSS 42 10.097 5.463 1.551 248 HB2 LYS 42 2HB KSS 42 11.756 4.640 3.389 249 HB3 LYS 42 3HB KSS 42 10.846 6.091 3.788 250 HG2 LYS 42 2HG KSS 42 10.480 3.864 5.659 251 HG3 LYS 42 3HG KSS 42 12.117 4.518 5.589 252 HD2 LYS 42 2HD KSS 42 11.299 6.737 6.069 253 HD3 LYS 42 3HD KSS 42 9.627 6.174 5.993 254 HE2 LYS 42 2HE KSS 42 9.696 5.645 8.147 255 HE3 LYS 42 3HE KSS 42 11.038 4.543 7.846 256 HZ1 LYS 42 1HZ KSS 42 12.082 7.114 7.827 257 HZ2 LYS 42 2HZ KSS 42 12.323 5.912 8.992 258 HZ3 LYS 42 3HZ KSS 42 11.064 7.028 9.175 259 H THR 43 H THR 43 8.023 6.340 3.148 260 HA THR 43 HA THR 43 6.709 5.854 5.695 261 HB THR 43 HB THR 43 6.230 8.056 3.677 262 HG1 THR 43 HG1 THR 43 8.333 8.105 4.638 263 HG21 THR 43 1HG2 THR 43 5.447 9.022 6.094 264 HG22 THR 43 2HG2 THR 43 4.971 7.330 6.234 265 HG23 THR 43 3HG2 THR 43 4.356 8.313 4.905 266 H ALA 44 H ALA 44 5.972 5.777 2.251 267 HA ALA 44 HA ALA 44 3.180 5.315 2.553 268 HB1 ALA 44 1HB ALA 44 3.417 4.494 0.134 269 HB2 ALA 44 2HB ALA 44 3.803 6.180 0.478 270 HB3 ALA 44 3HB ALA 44 5.100 5.004 0.271 Start of MODEL 3 1 H1 TRP 1 H TRP 1 2.191 0.590 0.731 2 HA TRP 1 HA TRP 1 3.020 -0.791 -1.540 3 HB2 TRP 1 2HB TRP 1 0.586 0.941 -1.951 4 HB3 TRP 1 3HB TRP 1 1.700 0.565 -3.262 5 HD1 TRP 1 HD1 TRP 1 -0.456 -1.388 -0.686 6 HE1 TRP 1 HE1 TRP 1 -1.316 -3.523 -1.838 7 HE3 TRP 1 HE3 TRP 1 1.883 -0.872 -5.203 8 HZ2 TRP 1 HZ2 TRP 1 -1.039 -4.817 -4.332 9 HZ3 TRP 1 HZ3 TRP 1 1.534 -2.602 -6.917 10 HH2 TRP 1 HH2 TRP 1 0.103 -4.534 -6.488 11 H GLY 2 H GLY 2 4.878 0.278 -0.604 12 HA2 GLY 2 2HA GLY 2 5.021 3.170 -1.116 13 HA3 GLY 2 3HA GLY 2 6.116 2.258 -0.087 14 H CYS 3 H CYS 3 5.288 3.089 -3.382 15 HA CYS 3 HA CYS 3 8.008 2.339 -4.185 16 HB2 CYS 3 2HB CYS 3 5.684 0.970 -4.997 17 HB3 CYS 3 3HB CYS 3 6.177 1.947 -6.376 18 H VAL 4 H VAL 4 8.977 4.143 -4.813 19 HA VAL 4 HA VAL 4 7.416 6.114 -6.355 20 HB VAL 4 HB VAL 4 8.031 6.932 -4.090 21 HG11 VAL 4 1HG1 VAL 4 10.786 7.500 -4.568 22 HG12 VAL 4 2HG1 VAL 4 10.054 6.590 -3.244 23 HG13 VAL 4 3HG1 VAL 4 10.520 5.764 -4.732 24 HG21 VAL 4 1HG2 VAL 4 8.421 9.060 -4.823 25 HG22 VAL 4 2HG2 VAL 4 9.660 8.557 -5.973 26 HG23 VAL 4 3HG2 VAL 4 7.955 8.308 -6.348 27 H CYS 5 H CYS 5 8.476 7.195 -8.048 28 HA CYS 5 HA CYS 5 11.120 6.180 -8.810 29 HB2 CYS 5 2HB CYS 5 8.810 6.372 -10.750 30 HB3 CYS 5 3HB CYS 5 10.423 5.750 -11.079 31 H SER 6 H SER 6 12.352 7.575 -10.089 32 HA SER 6 HA SER 6 11.528 10.364 -9.918 33 HB2 SER 6 2HB SER 6 13.754 9.857 -9.111 34 HB3 SER 6 3HB SER 6 14.175 9.086 -10.640 35 HG SER 6 HG SER 6 14.827 10.994 -11.208 36 H GLY 7 H GLY 7 9.895 9.446 -11.689 37 HA2 GLY 7 2HA GLY 7 10.607 10.765 -14.111 38 HA3 GLY 7 3HA GLY 7 10.646 9.020 -14.316 39 H SER 8 H SER 8 8.754 7.882 -14.448 40 HA SER 8 HA SER 8 6.282 9.488 -14.395 41 HB2 SER 8 2HB SER 8 7.259 7.420 -16.326 42 HB3 SER 8 3HB SER 8 5.524 7.591 -16.064 43 HG SER 8 HG SER 8 6.525 8.912 -17.787 44 H THR 9 H THR 9 4.292 7.953 -14.265 45 HA THR 9 HA THR 9 4.543 6.514 -11.790 46 HB THR 9 HB THR 9 2.061 6.005 -12.245 47 HG1 THR 9 HG1 THR 9 1.468 6.521 -14.209 48 HG21 THR 9 1HG2 THR 9 3.069 7.869 -10.806 49 HG22 THR 9 2HG2 THR 9 1.404 8.076 -11.348 50 HG23 THR 9 3HG2 THR 9 2.710 8.939 -12.160 51 H ALA 10 H ALA 10 4.155 5.701 -15.181 52 HA ALA 10 HA ALA 10 3.436 3.012 -14.936 53 HB1 ALA 10 1HB ALA 10 3.263 4.031 -17.066 54 HB2 ALA 10 2HB ALA 10 4.971 4.470 -17.073 55 HB3 ALA 10 3HB ALA 10 4.495 2.778 -17.212 56 H VAL 11 H VAL 11 6.599 4.571 -14.863 57 HA VAL 11 HA VAL 11 8.019 2.060 -14.730 58 HB VAL 11 HB VAL 11 9.108 3.922 -15.824 59 HG11 VAL 11 1HG1 VAL 11 8.131 5.800 -14.736 60 HG12 VAL 11 2HG1 VAL 11 8.791 5.316 -13.173 61 HG13 VAL 11 3HG1 VAL 11 9.869 5.879 -14.451 62 HG21 VAL 11 1HG2 VAL 11 10.258 2.298 -13.912 63 HG22 VAL 11 2HG2 VAL 11 11.119 3.256 -15.118 64 HG23 VAL 11 3HG2 VAL 11 10.853 3.906 -13.500 65 H ALA 12 H ALS 12 6.760 4.424 -12.508 66 HB1 ALA 12 1HB ALS 12 5.431 4.758 -10.317 67 HB2 ALA 12 2HB ALS 12 6.547 4.881 -8.957 68 HB3 ALA 12 3HB ALS 12 6.855 5.791 -10.436 69 H ASN 13 H ASN 13 5.135 2.547 -11.324 70 HA ASN 13 HA ASN 13 5.014 0.631 -9.175 71 HB2 ASN 13 2HB ASN 13 2.879 0.085 -9.962 72 HB3 ASN 13 3HB ASN 13 3.034 1.789 -10.379 73 HD21 ASN 13 1HD2 ASN 13 3.690 2.292 -12.583 74 HD22 ASN 13 2HD2 ASN 13 3.188 1.243 -13.861 75 H SER 14 H SER 14 6.076 0.693 -12.484 76 HA SER 14 HA SER 14 5.994 -1.987 -13.171 77 HB2 SER 14 2HB SER 14 6.628 -0.477 -14.871 78 HB3 SER 14 3HB SER 14 7.924 0.212 -13.893 79 HG SER 14 HG SER 14 9.209 -1.364 -14.473 80 H HIS 15 H HIS 15 8.136 -0.318 -10.991 81 HA HIS 15 HA HIS 15 9.827 -2.692 -10.713 82 HB2 HIS 15 2HB HIS 15 10.318 0.096 -10.554 83 HB3 HIS 15 3HB HIS 15 10.597 -0.570 -8.947 84 HD1 HIS 15 HD1 HIS 15 12.287 0.024 -12.035 85 HD2 HIS 15 HD2 HIS 15 12.426 -2.955 -9.142 86 HE1 HIS 15 HE1 HIS 15 14.488 -1.144 -12.377 87 H ASN 16 H NSS 16 8.271 -0.354 -8.507 88 HB2 ASN 16 2HB NSS 16 5.986 -2.177 -8.035 89 HB3 ASN 16 3HB NSS 16 6.572 -3.385 -6.896 90 HD21 ASN 16 1HD2 NSS 16 4.802 -0.371 -7.194 91 HD22 ASN 16 2HD2 NSS 16 3.896 -0.542 -5.733 92 H ALA 17 H ALA 17 7.163 -2.653 -4.643 93 HA ALA 17 HA ALA 17 9.528 -4.254 -4.457 94 HB1 ALA 17 1HB ALA 17 10.802 -3.124 -2.965 95 HB2 ALA 17 2HB ALA 17 10.030 -1.732 -3.726 96 HB3 ALA 17 3HB ALA 17 9.414 -2.354 -2.194 97 H GLY 18 H GLY 18 7.224 -2.637 -2.251 98 HA2 GLY 18 2HA GLY 18 5.606 -4.818 -1.725 99 HA3 GLY 18 3HA GLY 18 6.941 -4.930 -0.588 100 HA PRO 19 HA PRO 19 3.508 -2.044 0.939 101 HB2 PRO 19 2HB PRO 19 2.606 -3.611 2.964 102 HB3 PRO 19 3HB PRO 19 1.942 -3.680 1.328 103 HG2 PRO 19 2HG PRO 19 3.949 -5.475 2.635 104 HG3 PRO 19 3HG PRO 19 2.571 -5.901 1.604 105 HD2 PRO 19 2HD PRO 19 5.112 -5.807 0.673 106 HD3 PRO 19 3HD PRO 19 3.708 -5.406 -0.338 107 H ALA 20 H ALA 20 5.940 -4.054 2.482 108 HA ALA 20 HA ALA 20 6.312 -1.968 4.532 109 HB1 ALA 20 1HB ALA 20 7.147 -4.857 4.729 110 HB2 ALA 20 2HB ALA 20 7.197 -3.640 6.004 111 HB3 ALA 20 3HB ALA 20 5.645 -4.207 5.387 112 H TYR 21 H TYR 21 7.427 -2.188 1.753 113 HA TYR 21 HA TYR 21 10.283 -2.147 2.480 114 HB2 TYR 21 2HB TYR 21 8.939 -3.093 -0.046 115 HB3 TYR 21 3HB TYR 21 10.647 -2.670 -0.003 116 HD1 TYR 21 HD1 TYR 21 8.181 -4.803 1.824 117 HD2 TYR 21 HD2 TYR 21 12.180 -4.340 0.448 118 HE1 TYR 21 HE1 TYR 21 8.713 -7.065 2.629 119 HE2 TYR 21 HE2 TYR 21 12.724 -6.601 1.249 120 HH TYR 21 HH TYR 21 10.783 -8.881 1.780 121 H CYS 22 H CYS 22 11.497 -0.426 1.833 122 HA CYS 22 HA CYS 22 10.045 1.764 0.498 123 HB2 CYS 22 2HB CYS 22 12.293 1.887 2.518 124 HB3 CYS 22 3HB CYS 22 11.628 3.286 1.681 125 H VAL 23 H VAL 23 10.687 2.138 -1.508 126 HA VAL 23 HA VAL 23 13.538 1.817 -2.165 127 HB VAL 23 HB VAL 23 11.220 1.009 -3.927 128 HG11 VAL 23 1HG1 VAL 23 14.102 1.444 -4.443 129 HG12 VAL 23 2HG1 VAL 23 13.360 0.024 -5.183 130 HG13 VAL 23 3HG1 VAL 23 12.715 1.632 -5.516 131 HG21 VAL 23 1HG2 VAL 23 12.160 -1.260 -3.704 132 HG22 VAL 23 2HG2 VAL 23 13.329 -0.642 -2.536 133 HG23 VAL 23 3HG2 VAL 23 11.606 -0.606 -2.162 134 H GLY 24 H GLY 24 14.336 3.739 -2.689 135 HA2 GLY 24 2HA GLY 24 12.563 5.664 -4.056 136 HA3 GLY 24 3HA GLY 24 13.900 6.117 -3.010 137 H TYR 25 H TYR 25 12.916 5.538 -6.189 138 HA TYR 25 HA TYR 25 15.526 4.954 -7.262 139 HB2 TYR 25 2HB TYR 25 13.168 4.332 -8.219 140 HB3 TYR 25 3HB TYR 25 13.240 5.941 -8.931 141 HD1 TYR 25 HD1 TYR 25 14.187 6.179 -11.027 142 HD2 TYR 25 HD2 TYR 25 15.305 2.841 -8.638 143 HE1 TYR 25 HE1 TYR 25 15.524 5.298 -12.894 144 HE2 TYR 25 HE2 TYR 25 16.646 1.951 -10.497 145 HH TYR 25 HH TYR 25 17.781 2.815 -12.528 146 H CYS 26 H CYS 26 17.057 6.444 -7.385 147 HA CYS 26 HA CYS 26 16.274 9.225 -7.972 148 HB2 CYS 26 2HB CYS 26 18.686 8.245 -6.430 149 HB3 CYS 26 3HB CYS 26 18.306 9.929 -6.775 150 H GLY 27 H GLY 27 17.003 10.079 -9.810 151 HA2 GLY 27 2HA GLY 27 18.729 8.503 -11.515 152 HA3 GLY 27 3HA GLY 27 17.939 10.015 -11.937 153 H ASN 28 H ASN 28 19.533 11.287 -12.658 154 HA ASN 28 HA ASN 28 22.002 11.466 -11.072 155 HB2 ASN 28 2HB ASN 28 22.812 12.709 -13.200 156 HB3 ASN 28 3HB ASN 28 22.632 10.959 -13.265 157 HD21 ASN 28 1HD2 ASN 28 21.312 14.018 -14.259 158 HD22 ASN 28 2HD2 ASN 28 20.280 13.398 -15.497 159 H ASN 29 H ASN 29 19.711 12.744 -10.098 160 HA ASN 29 HA ASN 29 19.932 15.555 -10.812 161 HB2 ASN 29 2HB ASN 29 18.183 14.258 -8.711 162 HB3 ASN 29 3HB ASN 29 18.028 15.893 -9.345 163 HD21 ASN 29 1HD2 ASN 29 16.786 12.883 -9.505 164 HD22 ASN 29 2HD2 ASN 29 16.081 12.933 -11.082 165 H GLY 30 H GLY 30 20.494 13.459 -8.006 166 HA2 GLY 30 2HA GLY 30 22.751 14.525 -7.011 167 HA3 GLY 30 3HA GLY 30 21.542 15.667 -6.443 168 H VAL 31 H VAL 31 22.953 14.474 -4.542 169 HA VAL 31 HA VAL 31 21.993 11.979 -3.634 170 HB VAL 31 HB VAL 31 23.131 14.191 -1.923 171 HG11 VAL 31 1HG1 VAL 31 22.183 12.446 -0.592 172 HG12 VAL 31 2HG1 VAL 31 22.960 11.203 -1.575 173 HG13 VAL 31 3HG1 VAL 31 23.937 12.262 -0.558 174 HG21 VAL 31 1HG2 VAL 31 24.986 13.999 -3.146 175 HG22 VAL 31 2HG2 VAL 31 25.161 12.386 -2.455 176 HG23 VAL 31 3HG2 VAL 31 24.361 12.596 -4.013 177 H VAL 32 H VAL 32 20.965 15.297 -3.036 178 HA VAL 32 HA VAL 32 19.230 14.927 -0.913 179 HB VAL 32 HB VAL 32 18.854 16.789 -3.263 180 HG11 VAL 32 1HG1 VAL 32 16.845 17.093 -2.296 181 HG12 VAL 32 2HG1 VAL 32 17.356 16.376 -0.767 182 HG13 VAL 32 3HG1 VAL 32 17.760 18.053 -1.135 183 HG21 VAL 32 1HG2 VAL 32 21.027 16.960 -2.010 184 HG22 VAL 32 2HG2 VAL 32 20.045 18.425 -2.011 185 HG23 VAL 32 3HG2 VAL 32 20.087 17.393 -0.582 186 H THR 33 H THR 33 18.450 14.775 -4.388 187 HA THR 33 HA THR 33 15.762 14.121 -4.168 188 HB THR 33 HB THR 33 17.277 12.779 -6.340 189 HG1 THR 33 HG1 THR 33 18.475 14.568 -6.474 190 HG21 THR 33 1HG2 THR 33 15.201 12.819 -7.156 191 HG22 THR 33 2HG2 THR 33 15.365 14.566 -7.331 192 HG23 THR 33 3HG2 THR 33 14.658 13.889 -5.865 193 H ARG 34 H RSS 34 18.579 11.961 -4.293 194 HB2 ARG 34 2HB RSS 34 19.679 9.607 -4.573 195 HB3 ARG 34 3HB RSS 34 19.861 10.346 -2.988 196 HG2 ARG 34 2HG RSS 34 18.508 7.770 -2.896 197 HG3 ARG 34 3HG RSS 34 20.139 7.683 -3.565 198 HD2 ARG 34 2HD RSS 34 21.111 8.517 -1.616 199 HD3 ARG 34 3HD RSS 34 19.588 9.189 -1.034 200 HE ARG 34 HE RSS 34 19.406 6.375 -1.237 201 HH11 ARG 34 1HH2 RSS 34 19.442 5.110 0.661 202 HH12 ARG 34 2HH2 RSS 34 20.072 5.787 2.124 203 HH21 ARG 34 1HH1 RSS 34 20.829 8.891 0.703 204 HH22 ARG 34 2HH1 RSS 34 20.860 7.938 2.150 205 H ASN 35 H ASN 35 17.664 11.749 -1.698 206 HA ASN 35 HA ASN 35 16.787 9.851 0.295 207 HB2 ASN 35 2HB ASN 35 17.270 12.835 0.415 208 HB3 ASN 35 3HB ASN 35 16.798 11.857 1.801 209 HD21 ASN 35 1HD2 ASN 35 19.341 13.247 0.336 210 HD22 ASN 35 2HD2 ASN 35 20.613 12.217 0.890 211 H ALA 36 H ALA 36 15.431 12.648 -1.403 212 HA ALA 36 HA ALA 36 12.987 12.820 -0.083 213 HB1 ALA 36 1HB ALA 36 14.174 13.942 -2.407 214 HB2 ALA 36 2HB ALA 36 12.546 13.405 -2.820 215 HB3 ALA 36 3HB ALA 36 12.791 14.528 -1.482 216 H ASN 37 H ASN 37 13.939 10.814 -2.841 217 HA ASN 37 HA ASN 37 11.400 9.752 -3.409 218 HB2 ASN 37 2HB ASN 37 14.198 8.753 -3.914 219 HB3 ASN 37 3HB ASN 37 12.783 7.831 -4.414 220 HD21 ASN 37 1HD2 ASN 37 11.857 8.307 -6.290 221 HD22 ASN 37 2HD2 ASN 37 12.224 9.686 -7.264 222 H ALA 38 H ALA 38 14.103 8.200 -1.667 223 HA ALA 38 HA ALA 38 12.695 5.974 -0.766 224 HB1 ALA 38 1HB ALA 38 15.126 6.128 -0.687 225 HB2 ALA 38 2HB ALA 38 15.016 7.364 0.567 226 HB3 ALA 38 3HB ALA 38 14.468 5.720 0.898 227 H ASN 39 H ASN 39 12.673 9.245 0.367 228 HA ASN 39 HA ASN 39 11.669 8.731 2.980 229 HB2 ASN 39 2HB ASN 39 12.792 10.840 2.406 230 HB3 ASN 39 3HB ASN 39 11.485 11.238 1.295 231 HD21 ASN 39 1HD2 ASN 39 11.242 13.173 2.538 232 HD22 ASN 39 2HD2 ASN 39 10.351 13.144 4.018 233 H VAL 40 H VAL 40 10.208 9.212 -0.165 234 HA VAL 40 HA VAL 40 7.532 9.487 0.845 235 HB VAL 40 HB VAL 40 8.402 8.826 -1.971 236 HG11 VAL 40 1HG1 VAL 40 5.835 9.940 -0.848 237 HG12 VAL 40 2HG1 VAL 40 6.220 9.840 -2.567 238 HG13 VAL 40 3HG1 VAL 40 6.066 8.367 -1.609 239 HG21 VAL 40 1HG2 VAL 40 7.638 11.504 -1.831 240 HG22 VAL 40 2HG2 VAL 40 8.684 11.252 -0.433 241 HG23 VAL 40 3HG2 VAL 40 9.270 10.874 -2.053 242 H ALA 41 H ALA 41 9.578 6.872 -0.222 243 HA ALA 41 HA ALA 41 7.402 4.968 -0.368 244 HB1 ALA 41 1HB ALA 41 9.648 5.023 -1.723 245 HB2 ALA 41 2HB ALA 41 10.259 4.125 -0.333 246 HB3 ALA 41 3HB ALA 41 8.905 3.490 -1.268 247 H LYS 42 H KSS 42 10.281 5.425 1.682 248 HB2 LYS 42 2HB KSS 42 11.329 4.500 4.963 249 HB3 LYS 42 3HB KSS 42 11.865 4.914 3.340 250 HG2 LYS 42 2HG KSS 42 11.879 7.001 4.163 251 HG3 LYS 42 3HG KSS 42 10.153 6.940 3.803 252 HD2 LYS 42 2HD KSS 42 10.300 7.739 6.013 253 HD3 LYS 42 3HD KSS 42 9.850 6.039 6.163 254 HE2 LYS 42 2HE KSS 42 12.631 6.033 6.133 255 HE3 LYS 42 3HE KSS 42 12.202 7.426 7.125 256 HZ1 LYS 42 1HZ KSS 42 12.428 5.330 8.387 257 HZ2 LYS 42 2HZ KSS 42 11.113 4.695 7.533 258 HZ3 LYS 42 3HZ KSS 42 10.899 6.036 8.542 259 H THR 43 H THR 43 8.239 6.418 3.244 260 HA THR 43 HA THR 43 6.982 6.202 5.828 261 HB THR 43 HB THR 43 5.569 8.127 4.969 262 HG1 THR 43 HG1 THR 43 7.466 8.186 2.853 263 HG21 THR 43 1HG2 THR 43 8.568 8.262 5.122 264 HG22 THR 43 2HG2 THR 43 7.379 8.716 6.344 265 HG23 THR 43 3HG2 THR 43 7.585 9.709 4.901 266 H ALA 44 H ALA 44 6.142 5.497 2.489 267 HA ALA 44 HA ALA 44 3.388 4.907 3.089 268 HB1 ALA 44 1HB ALA 44 4.992 4.319 0.603 269 HB2 ALA 44 2HB ALA 44 3.238 4.212 0.760 270 HB3 ALA 44 3HB ALA 44 4.041 5.776 0.897 Start of MODEL 4 1 H1 TRP 1 H TRP 1 1.176 0.331 0.604 2 HA TRP 1 HA TRP 1 2.225 -0.595 -1.464 3 HB2 TRP 1 2HB TRP 1 0.374 1.470 -2.668 4 HB3 TRP 1 3HB TRP 1 1.682 0.692 -3.554 5 HD1 TRP 1 HD1 TRP 1 -1.429 -0.462 -1.522 6 HE1 TRP 1 HE1 TRP 1 -2.443 -2.497 -2.730 7 HE3 TRP 1 HE3 TRP 1 1.960 -0.922 -5.322 8 HZ2 TRP 1 HZ2 TRP 1 -1.880 -4.087 -4.993 9 HZ3 TRP 1 HZ3 TRP 1 1.650 -2.727 -6.966 10 HH2 TRP 1 HH2 TRP 1 -0.230 -4.276 -6.803 11 H GLY 2 H GLY 2 4.260 0.106 -1.526 12 HA2 GLY 2 2HA GLY 2 4.748 3.004 -1.253 13 HA3 GLY 2 3HA GLY 2 5.636 1.844 -0.275 14 H CYS 3 H CYS 3 5.171 3.137 -3.491 15 HA CYS 3 HA CYS 3 7.875 2.309 -4.183 16 HB2 CYS 3 2HB CYS 3 5.638 0.872 -5.118 17 HB3 CYS 3 3HB CYS 3 6.192 1.847 -6.475 18 H VAL 4 H VAL 4 8.832 4.130 -4.778 19 HA VAL 4 HA VAL 4 7.290 6.078 -6.367 20 HB VAL 4 HB VAL 4 7.922 6.893 -4.103 21 HG11 VAL 4 1HG1 VAL 4 10.670 7.464 -4.594 22 HG12 VAL 4 2HG1 VAL 4 9.951 6.538 -3.276 23 HG13 VAL 4 3HG1 VAL 4 10.410 5.730 -4.775 24 HG21 VAL 4 1HG2 VAL 4 8.726 9.042 -4.831 25 HG22 VAL 4 2HG2 VAL 4 9.343 8.348 -6.331 26 HG23 VAL 4 3HG2 VAL 4 7.605 8.413 -6.039 27 H CYS 5 H CYS 5 8.358 7.162 -8.058 28 HA CYS 5 HA CYS 5 11.003 6.162 -8.820 29 HB2 CYS 5 2HB CYS 5 8.673 6.241 -10.746 30 HB3 CYS 5 3HB CYS 5 10.305 5.673 -11.083 31 H SER 6 H SER 6 12.241 7.591 -9.994 32 HA SER 6 HA SER 6 11.316 10.346 -9.959 33 HB2 SER 6 2HB SER 6 13.543 9.890 -9.082 34 HB3 SER 6 3HB SER 6 14.023 9.156 -10.613 35 HG SER 6 HG SER 6 13.129 11.834 -10.413 36 H GLY 7 H GLY 7 9.727 9.548 -11.720 37 HA2 GLY 7 2HA GLY 7 10.472 10.754 -14.158 38 HA3 GLY 7 3HA GLY 7 10.571 9.008 -14.332 39 H SER 8 H SER 8 8.703 7.783 -14.376 40 HA SER 8 HA SER 8 6.183 9.312 -14.429 41 HB2 SER 8 2HB SER 8 7.415 7.802 -16.524 42 HB3 SER 8 3HB SER 8 5.918 6.995 -16.055 43 HG SER 8 HG SER 8 6.306 9.572 -17.100 44 H THR 9 H THR 9 4.253 7.681 -14.361 45 HA THR 9 HA THR 9 4.501 6.263 -11.873 46 HB THR 9 HB THR 9 2.037 5.840 -13.427 47 HG1 THR 9 HG1 THR 9 3.075 8.411 -12.930 48 HG21 THR 9 1HG2 THR 9 2.782 5.725 -10.791 49 HG22 THR 9 2HG2 THR 9 1.120 5.786 -11.377 50 HG23 THR 9 3HG2 THR 9 1.933 7.268 -10.875 51 H ALA 10 H ALA 10 4.109 5.406 -15.271 52 HA ALA 10 HA ALA 10 3.556 2.696 -15.027 53 HB1 ALA 10 1HB ALA 10 5.316 3.859 -17.172 54 HB2 ALA 10 2HB ALA 10 4.242 2.464 -17.280 55 HB3 ALA 10 3HB ALA 10 3.567 4.087 -17.134 56 H VAL 11 H VAL 11 6.641 4.395 -14.875 57 HA VAL 11 HA VAL 11 8.173 1.952 -14.719 58 HB VAL 11 HB VAL 11 9.182 3.893 -15.776 59 HG11 VAL 11 1HG1 VAL 11 9.835 5.854 -14.389 60 HG12 VAL 11 2HG1 VAL 11 8.092 5.682 -14.604 61 HG13 VAL 11 3HG1 VAL 11 8.846 5.204 -13.082 62 HG21 VAL 11 1HG2 VAL 11 10.902 3.876 -13.431 63 HG22 VAL 11 2HG2 VAL 11 10.381 2.259 -13.904 64 HG23 VAL 11 3HG2 VAL 11 11.213 3.292 -15.066 65 H ALA 12 H ALS 12 6.777 4.265 -12.517 66 HB1 ALA 12 1HB ALS 12 6.461 4.690 -8.969 67 HB2 ALA 12 2HB ALS 12 6.791 5.624 -10.428 68 HB3 ALA 12 3HB ALS 12 5.390 4.556 -10.364 69 H ASN 13 H ASN 13 5.210 2.310 -11.418 70 HA ASN 13 HA ASN 13 5.056 0.401 -9.266 71 HB2 ASN 13 2HB ASN 13 2.988 -0.242 -10.164 72 HB3 ASN 13 3HB ASN 13 3.091 1.472 -10.555 73 HD21 ASN 13 1HD2 ASN 13 3.603 2.081 -12.701 74 HD22 ASN 13 2HD2 ASN 13 3.298 1.009 -14.020 75 H SER 14 H SER 14 6.290 0.491 -12.511 76 HA SER 14 HA SER 14 6.334 -2.183 -13.207 77 HB2 SER 14 2HB SER 14 7.045 -0.682 -14.869 78 HB3 SER 14 3HB SER 14 8.217 0.089 -13.801 79 HG SER 14 HG SER 14 8.938 -1.537 -15.491 80 H HIS 15 H HIS 15 8.403 -0.430 -10.985 81 HA HIS 15 HA HIS 15 10.074 -2.789 -10.563 82 HB2 HIS 15 2HB HIS 15 10.592 -0.042 -10.510 83 HB3 HIS 15 3HB HIS 15 10.659 -0.544 -8.823 84 HD1 HIS 15 HD1 HIS 15 12.722 -1.758 -8.074 85 HD2 HIS 15 HD2 HIS 15 12.471 -1.440 -12.208 86 HE1 HIS 15 HE1 HIS 15 14.934 -2.578 -8.946 87 H ASN 16 H NSS 16 8.409 -0.434 -8.457 88 HB2 ASN 16 2HB NSS 16 6.107 -2.254 -8.069 89 HB3 ASN 16 3HB NSS 16 6.643 -3.450 -6.893 90 HD21 ASN 16 1HD2 NSS 16 4.818 -0.504 -7.351 91 HD22 ASN 16 2HD2 NSS 16 3.874 -0.637 -5.910 92 H ALA 17 H ALA 17 7.133 -2.696 -4.624 93 HA ALA 17 HA ALA 17 9.430 -4.345 -4.311 94 HB1 ALA 17 1HB ALA 17 9.925 -1.741 -3.628 95 HB2 ALA 17 2HB ALA 17 9.479 -2.461 -2.081 96 HB3 ALA 17 3HB ALA 17 10.806 -3.144 -3.021 97 H GLY 18 H GLY 18 7.028 -2.536 -2.386 98 HA2 GLY 18 2HA GLY 18 5.246 -4.375 -1.697 99 HA3 GLY 18 3HA GLY 18 6.605 -4.883 -0.705 100 HA PRO 19 HA PRO 19 3.994 -1.491 1.352 101 HB2 PRO 19 2HB PRO 19 2.801 -3.033 3.242 102 HB3 PRO 19 3HB PRO 19 2.087 -2.737 1.652 103 HG2 PRO 19 2HG PRO 19 3.632 -5.110 2.622 104 HG3 PRO 19 3HG PRO 19 2.157 -5.061 1.638 105 HD2 PRO 19 2HD PRO 19 4.610 -5.466 0.566 106 HD3 PRO 19 3HD PRO 19 3.316 -4.617 -0.304 107 H ALA 20 H ALA 20 5.812 -4.250 2.587 108 HA ALA 20 HA ALA 20 6.634 -2.711 4.937 109 HB1 ALA 20 1HB ALA 20 7.333 -5.571 4.311 110 HB2 ALA 20 2HB ALA 20 7.408 -4.747 5.870 111 HB3 ALA 20 3HB ALA 20 5.845 -5.096 5.132 112 H TYR 21 H TYR 21 7.562 -2.221 2.124 113 HA TYR 21 HA TYR 21 10.429 -2.248 2.729 114 HB2 TYR 21 2HB TYR 21 9.218 -3.105 0.093 115 HB3 TYR 21 3HB TYR 21 10.937 -2.860 0.381 116 HD1 TYR 21 HD1 TYR 21 12.215 -4.446 1.716 117 HD2 TYR 21 HD2 TYR 21 8.067 -5.047 0.980 118 HE1 TYR 21 HE1 TYR 21 12.426 -6.779 2.465 119 HE2 TYR 21 HE2 TYR 21 8.267 -7.381 1.729 120 HH TYR 21 HH TYR 21 9.766 -9.049 2.176 121 H CYS 22 H CYS 22 11.536 -0.459 2.067 122 HA CYS 22 HA CYS 22 9.949 1.635 0.733 123 HB2 CYS 22 2HB CYS 22 12.126 1.877 2.815 124 HB3 CYS 22 3HB CYS 22 11.469 3.247 1.926 125 H VAL 23 H VAL 23 10.603 2.129 -1.244 126 HA VAL 23 HA VAL 23 13.470 1.923 -1.882 127 HB VAL 23 HB VAL 23 11.237 1.181 -3.775 128 HG11 VAL 23 1HG1 VAL 23 13.589 0.089 -4.694 129 HG12 VAL 23 2HG1 VAL 23 12.824 1.558 -5.303 130 HG13 VAL 23 3HG1 VAL 23 14.092 1.664 -4.082 131 HG21 VAL 23 1HG2 VAL 23 11.442 -0.439 -1.939 132 HG22 VAL 23 2HG2 VAL 23 11.939 -1.128 -3.485 133 HG23 VAL 23 3HG2 VAL 23 13.156 -0.629 -2.309 134 H GLY 24 H GLY 24 14.331 3.627 -2.929 135 HA2 GLY 24 2HA GLY 24 12.472 5.633 -4.042 136 HA3 GLY 24 3HA GLY 24 13.796 6.107 -2.988 137 H TYR 25 H TYR 25 12.833 5.543 -6.174 138 HA TYR 25 HA TYR 25 15.434 4.988 -7.262 139 HB2 TYR 25 2HB TYR 25 13.191 4.328 -8.289 140 HB3 TYR 25 3HB TYR 25 13.043 6.008 -8.792 141 HD1 TYR 25 HD1 TYR 25 15.709 3.378 -8.868 142 HD2 TYR 25 HD2 TYR 25 13.584 6.390 -10.993 143 HE1 TYR 25 HE1 TYR 25 17.033 2.883 -10.881 144 HE2 TYR 25 HE2 TYR 25 14.901 5.903 -13.012 145 HH TYR 25 HH TYR 25 17.708 4.305 -13.034 146 H CYS 26 H CYS 26 16.978 6.404 -7.722 147 HA CYS 26 HA CYS 26 16.241 9.226 -8.114 148 HB2 CYS 26 2HB CYS 26 18.553 8.146 -6.491 149 HB3 CYS 26 3HB CYS 26 18.361 9.839 -6.934 150 H GLY 27 H GLY 27 17.673 10.451 -9.449 151 HA2 GLY 27 2HA GLY 27 19.213 8.744 -11.301 152 HA3 GLY 27 3HA GLY 27 18.402 10.233 -11.762 153 H ASN 28 H ASN 28 19.886 11.685 -12.304 154 HA ASN 28 HA ASN 28 22.311 11.890 -10.645 155 HB2 ASN 28 2HB ASN 28 23.179 13.165 -12.732 156 HB3 ASN 28 3HB ASN 28 23.068 11.409 -12.803 157 HD21 ASN 28 1HD2 ASN 28 21.671 14.417 -13.855 158 HD22 ASN 28 2HD2 ASN 28 20.730 13.759 -15.146 159 H ASN 29 H ASN 29 19.825 13.094 -9.912 160 HA ASN 29 HA ASN 29 20.050 15.912 -10.564 161 HB2 ASN 29 2HB ASN 29 18.188 14.739 -8.509 162 HB3 ASN 29 3HB ASN 29 17.979 16.197 -9.476 163 HD21 ASN 29 1HD2 ASN 29 16.854 13.203 -9.087 164 HD22 ASN 29 2HD2 ASN 29 16.338 12.846 -10.696 165 H GLY 30 H GLY 30 20.585 13.776 -7.806 166 HA2 GLY 30 2HA GLY 30 22.666 14.958 -6.613 167 HA3 GLY 30 3HA GLY 30 21.349 16.001 -6.098 168 H VAL 31 H VAL 31 22.967 14.524 -4.332 169 HA VAL 31 HA VAL 31 21.964 12.059 -3.526 170 HB VAL 31 HB VAL 31 23.060 14.210 -1.710 171 HG11 VAL 31 1HG1 VAL 31 22.312 12.643 -0.230 172 HG12 VAL 31 2HG1 VAL 31 22.464 11.317 -1.385 173 HG13 VAL 31 3HG1 VAL 31 23.899 11.965 -0.590 174 HG21 VAL 31 1HG2 VAL 31 25.098 12.444 -2.180 175 HG22 VAL 31 2HG2 VAL 31 24.322 12.552 -3.761 176 HG23 VAL 31 3HG2 VAL 31 24.907 14.012 -2.964 177 H VAL 32 H VAL 32 20.880 15.322 -2.728 178 HA VAL 32 HA VAL 32 19.103 14.789 -0.679 179 HB VAL 32 HB VAL 32 18.714 16.792 -2.907 180 HG11 VAL 32 1HG1 VAL 32 16.678 16.802 -1.841 181 HG12 VAL 32 2HG1 VAL 32 17.370 16.348 -0.282 182 HG13 VAL 32 3HG1 VAL 32 17.559 17.994 -0.886 183 HG21 VAL 32 1HG2 VAL 32 20.669 16.633 -0.819 184 HG22 VAL 32 2HG2 VAL 32 20.490 17.846 -2.086 185 HG23 VAL 32 3HG2 VAL 32 19.630 18.034 -0.558 186 H THR 33 H THR 33 18.360 14.910 -4.165 187 HA THR 33 HA THR 33 15.693 14.199 -4.053 188 HB THR 33 HB THR 33 17.400 13.082 -6.245 189 HG1 THR 33 HG1 THR 33 18.256 15.004 -6.485 190 HG21 THR 33 1HG2 THR 33 14.771 13.089 -5.995 191 HG22 THR 33 2HG2 THR 33 15.538 13.357 -7.560 192 HG23 THR 33 3HG2 THR 33 14.944 14.727 -6.622 193 H ARG 34 H RSS 34 18.514 12.049 -4.321 194 HB2 ARG 34 2HB RSS 34 19.598 9.713 -4.764 195 HB3 ARG 34 3HB RSS 34 19.809 10.352 -3.139 196 HG2 ARG 34 2HG RSS 34 18.442 7.793 -3.148 197 HG3 ARG 34 3HG RSS 34 20.034 7.716 -3.905 198 HD2 ARG 34 2HD RSS 34 19.952 9.254 -1.413 199 HD3 ARG 34 3HD RSS 34 19.555 7.547 -1.223 200 HE ARG 34 HE RSS 34 22.124 8.661 -1.795 201 HH11 ARG 34 1HH2 RSS 34 23.883 7.231 -2.046 202 HH12 ARG 34 2HH2 RSS 34 23.580 5.549 -2.323 203 HH21 ARG 34 1HH1 RSS 34 20.099 5.866 -2.247 204 HH22 ARG 34 2HH1 RSS 34 21.428 4.772 -2.439 205 H ASN 35 H ASN 35 17.641 11.681 -1.728 206 HA ASN 35 HA ASN 35 16.790 9.667 0.159 207 HB2 ASN 35 2HB ASN 35 17.310 12.631 0.437 208 HB3 ASN 35 3HB ASN 35 16.811 11.601 1.775 209 HD21 ASN 35 1HD2 ASN 35 19.395 12.965 0.300 210 HD22 ASN 35 2HD2 ASN 35 20.640 11.897 0.842 211 H ALA 36 H ALA 36 15.411 12.551 -1.360 212 HA ALA 36 HA ALA 36 13.002 12.693 0.006 213 HB1 ALA 36 1HB ALA 36 12.442 14.270 -1.497 214 HB2 ALA 36 2HB ALA 36 14.118 14.096 -2.016 215 HB3 ALA 36 3HB ALA 36 12.836 13.245 -2.877 216 H ASN 37 H ASN 37 13.809 10.811 -2.896 217 HA ASN 37 HA ASN 37 11.280 9.755 -3.404 218 HB2 ASN 37 2HB ASN 37 14.068 8.805 -3.989 219 HB3 ASN 37 3HB ASN 37 12.685 7.790 -4.388 220 HD21 ASN 37 1HD2 ASN 37 11.591 8.180 -6.203 221 HD22 ASN 37 2HD2 ASN 37 11.857 9.528 -7.251 222 H ALA 38 H ALA 38 13.973 8.175 -1.674 223 HA ALA 38 HA ALA 38 12.558 5.938 -0.804 224 HB1 ALA 38 1HB ALA 38 14.992 6.097 -0.715 225 HB2 ALA 38 2HB ALA 38 14.872 7.309 0.561 226 HB3 ALA 38 3HB ALA 38 14.324 5.660 0.858 227 H ASN 39 H ASN 39 12.553 9.198 0.373 228 HA ASN 39 HA ASN 39 11.536 8.663 2.973 229 HB2 ASN 39 2HB ASN 39 12.105 11.016 1.331 230 HB3 ASN 39 3HB ASN 39 10.682 11.217 2.350 231 HD21 ASN 39 1HD2 ASN 39 13.970 11.514 2.210 232 HD22 ASN 39 2HD2 ASN 39 14.317 11.569 3.901 233 H VAL 40 H VAL 40 10.090 9.080 -0.174 234 HA VAL 40 HA VAL 40 7.409 9.406 0.809 235 HB VAL 40 HB VAL 40 8.307 8.652 -1.975 236 HG11 VAL 40 1HG1 VAL 40 5.714 9.754 -0.904 237 HG12 VAL 40 2HG1 VAL 40 6.119 9.651 -2.618 238 HG13 VAL 40 3HG1 VAL 40 5.977 8.180 -1.654 239 HG21 VAL 40 1HG2 VAL 40 8.366 11.194 -0.513 240 HG22 VAL 40 2HG2 VAL 40 9.257 10.689 -1.949 241 HG23 VAL 40 3HG2 VAL 40 7.601 11.275 -2.100 242 H ALA 41 H ALA 41 9.431 6.743 -0.214 243 HA ALA 41 HA ALA 41 7.240 4.854 -0.262 244 HB1 ALA 41 1HB ALA 41 10.105 4.021 -0.270 245 HB2 ALA 41 2HB ALA 41 8.727 3.321 -1.121 246 HB3 ALA 41 3HB ALA 41 9.431 4.839 -1.680 247 H LYS 42 H KSS 42 10.157 5.351 1.722 248 HB2 LYS 42 2HB KSS 42 11.293 4.434 4.976 249 HB3 LYS 42 3HB KSS 42 11.787 4.775 3.323 250 HG2 LYS 42 2HG KSS 42 11.926 6.887 4.046 251 HG3 LYS 42 3HG KSS 42 10.175 6.894 3.822 252 HD2 LYS 42 2HD KSS 42 9.770 6.946 6.037 253 HD3 LYS 42 3HD KSS 42 11.086 5.828 6.405 254 HE2 LYS 42 2HE KSS 42 12.657 7.766 5.911 255 HE3 LYS 42 3HE KSS 42 11.228 8.798 5.952 256 HZ1 LYS 42 1HZ KSS 42 11.340 7.085 8.222 257 HZ2 LYS 42 2HZ KSS 42 11.235 8.772 8.157 258 HZ3 LYS 42 3HZ KSS 42 12.747 8.015 8.099 259 H THR 43 H THR 43 8.185 6.415 3.246 260 HA THR 43 HA THR 43 6.964 6.258 5.885 261 HB THR 43 HB THR 43 6.634 8.318 3.695 262 HG1 THR 43 HG1 THR 43 8.598 8.704 4.513 263 HG21 THR 43 1HG2 THR 43 5.674 9.679 5.614 264 HG22 THR 43 2HG2 THR 43 5.539 8.158 6.496 265 HG23 THR 43 3HG2 THR 43 4.653 8.386 4.988 266 H ALA 44 H ALA 44 6.218 5.572 2.573 267 HA ALA 44 HA ALA 44 3.406 5.645 2.696 268 HB1 ALA 44 1HB ALA 44 4.579 5.585 0.579 269 HB2 ALA 44 2HB ALA 44 5.210 3.979 0.945 270 HB3 ALA 44 3HB ALA 44 3.480 4.210 0.697 Start of MODEL 5 1 H1 TRP 1 H TRP 1 3.340 -0.423 0.731 2 HA TRP 1 HA TRP 1 2.705 -0.649 -2.132 3 HB2 TRP 1 2HB TRP 1 0.828 -0.264 -0.064 4 HB3 TRP 1 3HB TRP 1 1.008 1.298 -0.857 5 HD1 TRP 1 HD1 TRP 1 -1.424 -1.106 -1.005 6 HE1 TRP 1 HE1 TRP 1 -2.349 -1.569 -3.362 7 HE3 TRP 1 HE3 TRP 1 2.374 0.901 -3.778 8 HZ2 TRP 1 HZ2 TRP 1 -1.572 -1.141 -6.041 9 HZ3 TRP 1 HZ3 TRP 1 2.206 0.833 -6.232 10 HH2 TRP 1 HH2 TRP 1 0.273 -0.168 -7.338 11 H GLY 2 H GLY 2 5.030 0.411 -0.608 12 HA2 GLY 2 2HA GLY 2 4.838 3.272 -1.279 13 HA3 GLY 2 3HA GLY 2 6.021 2.560 -0.193 14 H CYS 3 H CYS 3 5.184 3.219 -3.498 15 HA CYS 3 HA CYS 3 7.944 2.582 -4.269 16 HB2 CYS 3 2HB CYS 3 5.650 1.153 -5.118 17 HB3 CYS 3 3HB CYS 3 6.195 2.109 -6.492 18 H VAL 4 H VAL 4 8.852 4.415 -4.905 19 HA VAL 4 HA VAL 4 7.223 6.332 -6.444 20 HB VAL 4 HB VAL 4 7.819 7.202 -4.214 21 HG11 VAL 4 1HG1 VAL 4 10.641 6.785 -5.183 22 HG12 VAL 4 2HG1 VAL 4 10.213 7.787 -3.794 23 HG13 VAL 4 3HG1 VAL 4 9.869 6.057 -3.775 24 HG21 VAL 4 1HG2 VAL 4 9.472 8.761 -6.147 25 HG22 VAL 4 2HG2 VAL 4 7.745 8.569 -6.445 26 HG23 VAL 4 3HG2 VAL 4 8.304 9.328 -4.954 27 H CYS 5 H CYS 5 8.206 7.400 -8.177 28 HA CYS 5 HA CYS 5 10.889 6.513 -8.950 29 HB2 CYS 5 2HB CYS 5 8.576 6.506 -10.892 30 HB3 CYS 5 3HB CYS 5 10.212 5.915 -11.170 31 H SER 6 H SER 6 12.047 7.971 -10.181 32 HA SER 6 HA SER 6 10.991 10.685 -10.179 33 HB2 SER 6 2HB SER 6 13.251 10.260 -9.269 34 HB3 SER 6 3HB SER 6 13.770 9.685 -10.853 35 HG SER 6 HG SER 6 13.436 12.245 -9.940 36 H GLY 7 H GLY 7 9.538 9.487 -11.977 37 HA2 GLY 7 2HA GLY 7 10.270 10.761 -14.435 38 HA3 GLY 7 3HA GLY 7 10.401 9.012 -14.538 39 H SER 8 H SER 8 8.578 7.782 -14.713 40 HA SER 8 HA SER 8 6.028 9.257 -14.822 41 HB2 SER 8 2HB SER 8 6.880 8.471 -17.042 42 HB3 SER 8 3HB SER 8 6.770 6.814 -16.448 43 HG SER 8 HG SER 8 4.827 8.404 -17.430 44 H THR 9 H THR 9 4.126 7.575 -14.750 45 HA THR 9 HA THR 9 4.323 6.288 -12.186 46 HB THR 9 HB THR 9 1.892 5.506 -13.094 47 HG1 THR 9 HG1 THR 9 2.041 6.515 -15.088 48 HG21 THR 9 1HG2 THR 9 2.952 7.569 -11.412 49 HG22 THR 9 2HG2 THR 9 1.414 6.716 -11.285 50 HG23 THR 9 3HG2 THR 9 1.534 8.178 -12.263 51 H ALA 10 H ALA 10 4.198 5.280 -15.545 52 HA ALA 10 HA ALA 10 3.654 2.560 -15.189 53 HB1 ALA 10 1HB ALA 10 4.392 4.263 -17.330 54 HB2 ALA 10 2HB ALA 10 5.460 2.859 -17.361 55 HB3 ALA 10 3HB ALA 10 3.711 2.638 -17.403 56 H VAL 11 H VAL 11 6.678 4.359 -15.009 57 HA VAL 11 HA VAL 11 8.278 1.976 -14.696 58 HB VAL 11 HB VAL 11 9.245 3.928 -15.798 59 HG11 VAL 11 1HG1 VAL 11 8.072 5.698 -14.651 60 HG12 VAL 11 2HG1 VAL 11 8.870 5.288 -13.131 61 HG13 VAL 11 3HG1 VAL 11 9.809 5.940 -14.475 62 HG21 VAL 11 1HG2 VAL 11 10.427 2.404 -13.772 63 HG22 VAL 11 2HG2 VAL 11 11.243 3.281 -15.066 64 HG23 VAL 11 3HG2 VAL 11 10.979 4.058 -13.505 65 H ALA 12 H ALS 12 6.743 4.341 -12.643 66 HB1 ALA 12 1HB ALS 12 6.247 4.873 -9.131 67 HB2 ALA 12 2HB ALS 12 6.590 5.769 -10.611 68 HB3 ALA 12 3HB ALS 12 5.246 4.629 -10.562 69 H ASN 13 H ASN 13 5.222 2.334 -11.509 70 HA ASN 13 HA ASN 13 5.110 0.505 -9.283 71 HB2 ASN 13 2HB ASN 13 3.101 -0.282 -10.204 72 HB3 ASN 13 3HB ASN 13 3.123 1.420 -10.656 73 HD21 ASN 13 1HD2 ASN 13 3.717 1.973 -12.813 74 HD22 ASN 13 2HD2 ASN 13 3.478 0.842 -14.098 75 H SER 14 H SER 14 6.456 0.552 -12.476 76 HA SER 14 HA SER 14 6.643 -2.134 -13.097 77 HB2 SER 14 2HB SER 14 7.341 -0.530 -14.722 78 HB3 SER 14 3HB SER 14 8.559 0.139 -13.636 79 HG SER 14 HG SER 14 9.601 -1.208 -15.059 80 H HIS 15 H HIS 15 8.783 -0.185 -11.055 81 HA HIS 15 HA HIS 15 10.458 -2.465 -10.442 82 HB2 HIS 15 2HB HIS 15 10.897 0.250 -10.486 83 HB3 HIS 15 3HB HIS 15 10.770 -0.081 -8.761 84 HD1 HIS 15 HD1 HIS 15 12.648 -1.451 -7.677 85 HD2 HIS 15 HD2 HIS 15 13.125 -0.904 -11.768 86 HE1 HIS 15 HE1 HIS 15 15.002 -2.178 -8.182 87 H ASN 16 H NSS 16 8.550 -0.198 -8.449 88 HB2 ASN 16 2HB NSS 16 6.381 -2.184 -8.109 89 HB3 ASN 16 3HB NSS 16 6.959 -3.310 -6.884 90 HD21 ASN 16 1HD2 NSS 16 5.118 -0.330 -7.315 91 HD22 ASN 16 2HD2 NSS 16 4.056 -0.583 -5.976 92 H ALA 17 H ALA 17 7.294 -2.472 -4.616 93 HA ALA 17 HA ALA 17 9.707 -3.920 -4.174 94 HB1 ALA 17 1HB ALA 17 9.738 -1.212 -3.364 95 HB2 ALA 17 2HB ALA 17 9.648 -2.199 -1.905 96 HB3 ALA 17 3HB ALA 17 10.951 -2.458 -3.065 97 H GLY 18 H GLY 18 7.036 -2.316 -2.434 98 HA2 GLY 18 2HA GLY 18 5.291 -4.047 -1.734 99 HA3 GLY 18 3HA GLY 18 6.645 -4.817 -0.920 100 HA PRO 19 HA PRO 19 4.464 -1.635 1.828 101 HB2 PRO 19 2HB PRO 19 3.375 -3.386 3.594 102 HB3 PRO 19 3HB PRO 19 2.533 -2.840 2.139 103 HG2 PRO 19 2HG PRO 19 4.040 -5.382 2.613 104 HG3 PRO 19 3HG PRO 19 2.485 -5.139 1.796 105 HD2 PRO 19 2HD PRO 19 4.806 -5.477 0.442 106 HD3 PRO 19 3HD PRO 19 3.481 -4.465 -0.170 107 H ALA 20 H ALA 20 6.349 -4.541 2.387 108 HA ALA 20 HA ALA 20 7.390 -3.460 4.900 109 HB1 ALA 20 1HB ALA 20 6.617 -5.901 4.556 110 HB2 ALA 20 2HB ALA 20 8.173 -6.111 3.753 111 HB3 ALA 20 3HB ALA 20 8.113 -5.597 5.438 112 H TYR 21 H TYR 21 8.042 -2.429 2.156 113 HA TYR 21 HA TYR 21 10.916 -2.311 2.546 114 HB2 TYR 21 2HB TYR 21 9.708 -3.271 -0.056 115 HB3 TYR 21 3HB TYR 21 11.404 -2.867 0.185 116 HD1 TYR 21 HD1 TYR 21 12.782 -4.262 1.749 117 HD2 TYR 21 HD2 TYR 21 8.853 -5.390 0.566 118 HE1 TYR 21 HE1 TYR 21 13.233 -6.570 2.471 119 HE2 TYR 21 HE2 TYR 21 9.293 -7.700 1.287 120 HH TYR 21 HH TYR 21 11.206 -8.693 3.217 121 H CYS 22 H CYS 22 11.918 -0.560 1.432 122 HA CYS 22 HA CYS 22 10.048 1.400 0.283 123 HB2 CYS 22 2HB CYS 22 12.195 1.890 2.350 124 HB3 CYS 22 3HB CYS 22 11.435 3.180 1.425 125 H VAL 23 H VAL 23 10.680 2.258 -1.594 126 HA VAL 23 HA VAL 23 13.525 2.119 -2.328 127 HB VAL 23 HB VAL 23 11.237 1.402 -4.168 128 HG11 VAL 23 1HG1 VAL 23 13.693 0.594 -5.243 129 HG12 VAL 23 2HG1 VAL 23 12.646 1.894 -5.815 130 HG13 VAL 23 3HG1 VAL 23 13.940 2.242 -4.669 131 HG21 VAL 23 1HG2 VAL 23 13.385 -0.351 -2.978 132 HG22 VAL 23 2HG2 VAL 23 11.688 -0.338 -2.499 133 HG23 VAL 23 3HG2 VAL 23 12.142 -0.859 -4.122 134 H GLY 24 H GLY 24 14.320 3.918 -3.257 135 HA2 GLY 24 2HA GLY 24 12.388 5.948 -4.188 136 HA3 GLY 24 3HA GLY 24 13.733 6.378 -3.142 137 H TYR 25 H TYR 25 12.697 5.877 -6.347 138 HA TYR 25 HA TYR 25 15.253 5.477 -7.548 139 HB2 TYR 25 2HB TYR 25 12.869 5.000 -8.497 140 HB3 TYR 25 3HB TYR 25 12.925 6.683 -9.007 141 HD1 TYR 25 HD1 TYR 25 14.988 3.572 -9.173 142 HD2 TYR 25 HD2 TYR 25 13.786 7.172 -11.095 143 HE1 TYR 25 HE1 TYR 25 16.251 2.915 -11.178 144 HE2 TYR 25 HE2 TYR 25 15.045 6.525 -13.107 145 HH TYR 25 HH TYR 25 17.216 4.865 -13.463 146 H CYS 26 H CYS 26 16.789 6.973 -7.280 147 HA CYS 26 HA CYS 26 16.516 9.536 -8.482 148 HB2 CYS 26 2HB CYS 26 17.042 10.820 -6.351 149 HB3 CYS 26 3HB CYS 26 15.392 10.226 -6.510 150 H GLY 27 H GLY 27 18.307 8.292 -9.494 151 HA2 GLY 27 2HA GLY 27 20.819 8.794 -8.025 152 HA3 GLY 27 3HA GLY 27 20.573 7.312 -8.937 153 H ASN 28 H ASN 28 19.437 10.437 -10.032 154 HA ASN 28 HA ASN 28 21.681 10.697 -11.878 155 HB2 ASN 28 2HB ASN 28 18.823 10.234 -12.702 156 HB3 ASN 28 3HB ASN 28 19.948 11.092 -13.751 157 HD21 ASN 28 1HD2 ASN 28 21.991 9.948 -14.237 158 HD22 ASN 28 2HD2 ASN 28 21.922 8.236 -14.461 159 H ASN 29 H ASN 29 20.796 12.221 -9.597 160 HA ASN 29 HA ASN 29 20.651 14.821 -10.873 161 HB2 ASN 29 2HB ASN 29 18.548 13.923 -8.889 162 HB3 ASN 29 3HB ASN 29 18.746 15.571 -9.478 163 HD21 ASN 29 1HD2 ASN 29 17.490 12.458 -10.106 164 HD22 ASN 29 2HD2 ASN 29 16.769 12.808 -11.637 165 H GLY 30 H GLY 30 20.230 13.369 -7.633 166 HA2 GLY 30 2HA GLY 30 22.736 14.241 -6.663 167 HA3 GLY 30 3HA GLY 30 21.501 15.406 -6.208 168 H VAL 31 H VAL 31 22.721 14.326 -4.157 169 HA VAL 31 HA VAL 31 21.636 11.849 -3.257 170 HB VAL 31 HB VAL 31 22.865 14.023 -1.561 171 HG11 VAL 31 1HG1 VAL 31 23.585 11.857 -0.296 172 HG12 VAL 31 2HG1 VAL 31 21.963 12.515 -0.068 173 HG13 VAL 31 3HG1 VAL 31 22.215 11.139 -1.143 174 HG21 VAL 31 1HG2 VAL 31 24.983 12.753 -1.858 175 HG22 VAL 31 2HG2 VAL 31 24.184 11.790 -3.101 176 HG23 VAL 31 3HG2 VAL 31 24.406 13.524 -3.335 177 H VAL 32 H VAL 32 20.753 15.224 -2.855 178 HA VAL 32 HA VAL 32 18.976 15.070 -0.741 179 HB VAL 32 HB VAL 32 18.630 16.770 -3.215 180 HG11 VAL 32 1HG1 VAL 32 17.813 18.073 -0.837 181 HG12 VAL 32 2HG1 VAL 32 16.824 17.586 -2.215 182 HG13 VAL 32 3HG1 VAL 32 17.058 16.480 -0.861 183 HG21 VAL 32 1HG2 VAL 32 20.458 16.959 -0.885 184 HG22 VAL 32 2HG2 VAL 32 20.708 17.445 -2.562 185 HG23 VAL 32 3HG2 VAL 32 19.739 18.452 -1.487 186 H THR 33 H THR 33 18.174 14.809 -4.208 187 HA THR 33 HA THR 33 15.478 14.202 -3.923 188 HB THR 33 HB THR 33 16.944 12.824 -6.111 189 HG1 THR 33 HG1 THR 33 18.025 14.567 -6.609 190 HG21 THR 33 1HG2 THR 33 14.368 14.195 -5.660 191 HG22 THR 33 2HG2 THR 33 14.743 12.778 -6.640 192 HG23 THR 33 3HG2 THR 33 15.076 14.393 -7.262 193 H ARG 34 H RSS 34 18.267 12.011 -4.062 194 HB2 ARG 34 2HB RSS 34 19.341 9.643 -4.324 195 HB3 ARG 34 3HB RSS 34 19.546 10.399 -2.749 196 HG2 ARG 34 2HG RSS 34 18.177 7.821 -2.649 197 HG3 ARG 34 3HG RSS 34 19.824 7.740 -3.276 198 HD2 ARG 34 2HD RSS 34 20.678 8.827 -1.303 199 HD3 ARG 34 3HD RSS 34 19.043 9.094 -0.699 200 HE ARG 34 HE RSS 34 19.063 6.970 0.125 201 HH11 ARG 34 1HH2 RSS 34 19.875 4.868 0.485 202 HH12 ARG 34 2HH2 RSS 34 21.193 4.288 -0.476 203 HH21 ARG 34 1HH1 RSS 34 21.490 7.220 -2.359 204 HH22 ARG 34 2HH1 RSS 34 22.113 5.625 -2.093 205 H ASN 35 H ASN 35 17.377 11.839 -1.455 206 HA ASN 35 HA ASN 35 16.502 9.974 0.570 207 HB2 ASN 35 2HB ASN 35 17.038 12.948 0.637 208 HB3 ASN 35 3HB ASN 35 16.532 12.016 2.043 209 HD21 ASN 35 1HD2 ASN 35 19.120 13.308 0.569 210 HD22 ASN 35 2HD2 ASN 35 20.361 12.259 1.154 211 H ALA 36 H ALA 36 15.155 12.761 -1.150 212 HA ALA 36 HA ALA 36 12.710 12.914 0.205 213 HB1 ALA 36 1HB ALA 36 11.931 14.242 -1.624 214 HB2 ALA 36 2HB ALA 36 13.630 14.630 -1.355 215 HB3 ALA 36 3HB ALA 36 13.166 13.583 -2.696 216 H ASN 37 H ASN 37 13.697 10.994 -2.593 217 HA ASN 37 HA ASN 37 11.139 9.977 -3.220 218 HB2 ASN 37 2HB ASN 37 13.933 9.006 -3.804 219 HB3 ASN 37 3HB ASN 37 12.508 8.130 -4.355 220 HD21 ASN 37 1HD2 ASN 37 11.646 8.697 -6.226 221 HD22 ASN 37 2HD2 ASN 37 11.996 10.147 -7.099 222 H ALA 38 H ALA 38 13.868 8.381 -1.562 223 HA ALA 38 HA ALA 38 12.523 6.076 -0.789 224 HB1 ALA 38 1HB ALA 38 14.262 5.884 0.980 225 HB2 ALA 38 2HB ALA 38 14.911 6.202 -0.629 226 HB3 ALA 38 3HB ALA 38 14.810 7.506 0.555 227 H ASN 39 H ASN 39 12.368 9.283 0.510 228 HA ASN 39 HA ASN 39 11.327 8.598 3.069 229 HB2 ASN 39 2HB ASN 39 11.646 11.090 1.478 230 HB3 ASN 39 3HB ASN 39 10.445 11.110 2.766 231 HD21 ASN 39 1HD2 ASN 39 12.914 12.595 2.571 232 HD22 ASN 39 2HD2 ASN 39 13.861 12.161 3.949 233 H VAL 40 H VAL 40 9.916 9.217 -0.077 234 HA VAL 40 HA VAL 40 7.213 9.345 0.890 235 HB VAL 40 HB VAL 40 8.194 8.913 -1.935 236 HG11 VAL 40 1HG1 VAL 40 5.900 10.029 -2.378 237 HG12 VAL 40 2HG1 VAL 40 5.953 8.314 -1.967 238 HG13 VAL 40 3HG1 VAL 40 5.514 9.502 -0.740 239 HG21 VAL 40 1HG2 VAL 40 7.249 11.510 -1.684 240 HG22 VAL 40 2HG2 VAL 40 8.207 11.252 -0.226 241 HG23 VAL 40 3HG2 VAL 40 8.936 11.012 -1.814 242 H ALA 41 H ALA 41 9.362 6.867 -0.301 243 HA ALA 41 HA ALA 41 7.256 4.908 -0.609 244 HB1 ALA 41 1HB ALA 41 10.256 4.658 -0.777 245 HB2 ALA 41 2HB ALA 41 9.118 3.353 -1.110 246 HB3 ALA 41 3HB ALA 41 9.125 4.796 -2.123 247 H LYS 42 H KSS 42 10.068 5.331 1.539 248 HB2 LYS 42 2HB KSS 42 11.076 4.233 4.777 249 HB3 LYS 42 3HB KSS 42 11.626 4.780 3.198 250 HG2 LYS 42 2HG KSS 42 10.320 6.850 3.492 251 HG3 LYS 42 3HG KSS 42 9.865 6.304 5.108 252 HD2 LYS 42 2HD KSS 42 12.721 6.646 4.209 253 HD3 LYS 42 3HD KSS 42 11.797 7.913 5.021 254 HE2 LYS 42 2HE KSS 42 11.360 5.882 6.718 255 HE3 LYS 42 3HE KSS 42 12.935 5.400 6.089 256 HZ1 LYS 42 1HZ KSS 42 13.379 7.969 6.589 257 HZ2 LYS 42 2HZ KSS 42 13.655 6.746 7.724 258 HZ3 LYS 42 3HZ KSS 42 12.226 7.649 7.785 259 H THR 43 H THR 43 7.985 6.185 3.135 260 HA THR 43 HA THR 43 6.667 5.761 5.657 261 HB THR 43 HB THR 43 5.222 7.697 4.898 262 HG1 THR 43 HG1 THR 43 5.367 7.723 2.720 263 HG21 THR 43 1HG2 THR 43 8.152 7.750 5.337 264 HG22 THR 43 2HG2 THR 43 6.853 8.498 6.267 265 HG23 THR 43 3HG2 THR 43 7.406 9.243 4.767 266 H ALA 44 H ALA 44 5.879 5.326 2.248 267 HA ALA 44 HA ALA 44 3.160 4.527 2.810 268 HB1 ALA 44 1HB ALA 44 3.108 5.438 0.749 269 HB2 ALA 44 2HB ALA 44 4.786 5.019 0.403 270 HB3 ALA 44 3HB ALA 44 3.521 3.800 0.241 Start of MODEL 6 1 H1 TRP 1 H TRP 1 1.444 -1.061 0.138 2 HA TRP 1 HA TRP 1 2.998 -0.910 -1.539 3 HB2 TRP 1 2HB TRP 1 0.760 0.903 -2.414 4 HB3 TRP 1 3HB TRP 1 2.150 0.596 -3.452 5 HD1 TRP 1 HD1 TRP 1 -0.288 -1.675 -1.433 6 HE1 TRP 1 HE1 TRP 1 -0.950 -3.648 -2.947 7 HE3 TRP 1 HE3 TRP 1 2.428 -0.457 -5.589 8 HZ2 TRP 1 HZ2 TRP 1 -0.394 -4.568 -5.557 9 HZ3 TRP 1 HZ3 TRP 1 2.308 -1.936 -7.552 10 HH2 TRP 1 HH2 TRP 1 0.926 -3.949 -7.534 11 H GLY 2 H GLY 2 4.959 -0.050 -1.436 12 HA2 GLY 2 2HA GLY 2 5.184 2.884 -1.189 13 HA3 GLY 2 3HA GLY 2 6.174 1.807 -0.215 14 H CYS 3 H CYS 3 5.641 3.146 -3.383 15 HA CYS 3 HA CYS 3 8.385 2.500 -4.097 16 HB2 CYS 3 2HB CYS 3 6.142 1.060 -5.164 17 HB3 CYS 3 3HB CYS 3 6.900 1.992 -6.451 18 H VAL 4 H VAL 4 9.232 4.387 -4.649 19 HA VAL 4 HA VAL 4 7.579 6.272 -6.204 20 HB VAL 4 HB VAL 4 8.086 7.072 -3.905 21 HG11 VAL 4 1HG1 VAL 4 10.801 7.848 -4.299 22 HG12 VAL 4 2HG1 VAL 4 10.110 6.844 -3.023 23 HG13 VAL 4 3HG1 VAL 4 10.668 6.104 -4.524 24 HG21 VAL 4 1HG2 VAL 4 8.556 9.276 -4.547 25 HG22 VAL 4 2HG2 VAL 4 9.565 8.762 -5.899 26 HG23 VAL 4 3HG2 VAL 4 7.816 8.553 -5.975 27 H CYS 5 H CYS 5 8.602 7.470 -7.842 28 HA CYS 5 HA CYS 5 11.337 6.704 -8.550 29 HB2 CYS 5 2HB CYS 5 9.062 6.630 -10.539 30 HB3 CYS 5 3HB CYS 5 10.743 6.204 -10.839 31 H SER 6 H SER 6 12.468 8.235 -9.734 32 HA SER 6 HA SER 6 11.382 10.918 -9.590 33 HB2 SER 6 2HB SER 6 13.672 10.571 -8.844 34 HB3 SER 6 3HB SER 6 14.113 9.906 -10.416 35 HG SER 6 HG SER 6 14.070 12.461 -9.637 36 H GLY 7 H GLY 7 9.840 9.724 -11.359 37 HA2 GLY 7 2HA GLY 7 10.355 11.172 -13.778 38 HA3 GLY 7 3HA GLY 7 10.548 9.438 -13.993 39 H SER 8 H SER 8 8.794 8.264 -14.439 40 HA SER 8 HA SER 8 6.179 9.591 -14.192 41 HB2 SER 8 2HB SER 8 7.429 8.198 -16.354 42 HB3 SER 8 3HB SER 8 5.996 7.295 -15.862 43 HG SER 8 HG SER 8 6.175 9.978 -16.730 44 H THR 9 H THR 9 4.346 7.827 -14.144 45 HA THR 9 HA THR 9 4.718 6.394 -11.679 46 HB THR 9 HB THR 9 2.301 6.256 -13.480 47 HG1 THR 9 HG1 THR 9 2.029 8.299 -13.027 48 HG21 THR 9 1HG2 THR 9 1.170 5.991 -11.226 49 HG22 THR 9 2HG2 THR 9 2.783 5.770 -10.546 50 HG23 THR 9 3HG2 THR 9 2.171 4.638 -11.752 51 H ALA 10 H ALA 10 4.646 5.620 -15.074 52 HA ALA 10 HA ALA 10 4.177 2.844 -14.864 53 HB1 ALA 10 1HB ALA 10 4.651 2.722 -17.123 54 HB2 ALA 10 2HB ALA 10 4.140 4.400 -16.941 55 HB3 ALA 10 3HB ALA 10 5.856 4.008 -17.046 56 H VAL 11 H VAL 11 7.081 4.800 -14.633 57 HA VAL 11 HA VAL 11 8.838 2.502 -14.604 58 HB VAL 11 HB VAL 11 9.645 4.580 -15.586 59 HG11 VAL 11 1HG1 VAL 11 9.289 5.724 -12.819 60 HG12 VAL 11 2HG1 VAL 11 10.135 6.528 -14.143 61 HG13 VAL 11 3HG1 VAL 11 8.409 6.186 -14.276 62 HG21 VAL 11 1HG2 VAL 11 11.393 4.569 -13.252 63 HG22 VAL 11 2HG2 VAL 11 11.023 2.953 -13.854 64 HG23 VAL 11 3HG2 VAL 11 11.741 4.152 -14.930 65 H ALA 12 H ALS 12 7.279 4.616 -12.304 66 HB1 ALA 12 1HB ALS 12 5.891 4.711 -10.133 67 HB2 ALA 12 2HB ALS 12 6.962 4.879 -8.742 68 HB3 ALA 12 3HB ALS 12 7.203 5.889 -10.167 69 H ASN 13 H ASN 13 5.852 2.519 -11.242 70 HA ASN 13 HA ASN 13 5.852 0.529 -9.171 71 HB2 ASN 13 2HB ASN 13 3.848 -0.238 -10.097 72 HB3 ASN 13 3HB ASN 13 3.829 1.479 -10.489 73 HD21 ASN 13 1HD2 ASN 13 4.331 2.124 -12.627 74 HD22 ASN 13 2HD2 ASN 13 4.126 1.031 -13.950 75 H SER 14 H SER 14 7.162 0.826 -12.364 76 HA SER 14 HA SER 14 7.419 -1.806 -13.165 77 HB2 SER 14 2HB SER 14 8.066 -0.139 -14.714 78 HB3 SER 14 3HB SER 14 9.206 0.587 -13.581 79 HG SER 14 HG SER 14 9.745 -1.183 -15.414 80 H HIS 15 H HIS 15 9.180 -0.057 -10.717 81 HA HIS 15 HA HIS 15 11.038 -2.292 -10.356 82 HB2 HIS 15 2HB HIS 15 11.608 0.306 -10.349 83 HB3 HIS 15 3HB HIS 15 11.162 0.153 -8.652 84 HD1 HIS 15 HD1 HIS 15 13.945 -0.305 -10.931 85 HD2 HIS 15 HD2 HIS 15 12.782 -1.874 -7.263 86 HE1 HIS 15 HE1 HIS 15 16.015 -1.353 -9.961 87 H ASN 16 H NSS 16 9.113 -0.171 -8.223 88 HB2 ASN 16 2HB NSS 16 6.937 -2.169 -8.030 89 HB3 ASN 16 3HB NSS 16 7.508 -3.382 -6.888 90 HD21 ASN 16 1HD2 NSS 16 5.672 -0.377 -7.114 91 HD22 ASN 16 2HD2 NSS 16 4.609 -0.719 -5.796 92 H ALA 17 H ALA 17 7.842 -2.709 -4.565 93 HA ALA 17 HA ALA 17 10.232 -4.209 -4.221 94 HB1 ALA 17 1HB ALA 17 11.316 -2.264 -3.512 95 HB2 ALA 17 2HB ALA 17 9.906 -1.694 -2.619 96 HB3 ALA 17 3HB ALA 17 10.838 -3.063 -2.014 97 H GLY 18 H GLY 18 7.398 -2.773 -2.659 98 HA2 GLY 18 2HA GLY 18 6.066 -5.055 -2.013 99 HA3 GLY 18 3HA GLY 18 7.208 -4.868 -0.690 100 HA PRO 19 HA PRO 19 3.250 -2.302 -0.096 101 HB2 PRO 19 2HB PRO 19 2.095 -3.824 1.833 102 HB3 PRO 19 3HB PRO 19 1.783 -4.059 0.109 103 HG2 PRO 19 2HG PRO 19 3.632 -5.562 1.921 104 HG3 PRO 19 3HG PRO 19 2.532 -6.186 0.679 105 HD2 PRO 19 2HD PRO 19 5.190 -5.895 0.256 106 HD3 PRO 19 3HD PRO 19 3.991 -5.698 -1.038 107 H ALA 20 H ALA 20 5.159 -4.140 2.275 108 HA ALA 20 HA ALA 20 5.056 -1.832 4.092 109 HB1 ALA 20 1HB ALA 20 5.834 -4.697 4.625 110 HB2 ALA 20 2HB ALA 20 5.844 -3.400 5.822 111 HB3 ALA 20 3HB ALA 20 4.324 -3.911 5.088 112 H TYR 21 H TYR 21 6.784 -2.161 1.659 113 HA TYR 21 HA TYR 21 9.411 -1.956 2.978 114 HB2 TYR 21 2HB TYR 21 8.638 -2.927 0.236 115 HB3 TYR 21 3HB TYR 21 10.281 -2.406 0.596 116 HD1 TYR 21 HD1 TYR 21 7.681 -4.598 2.165 117 HD2 TYR 21 HD2 TYR 21 11.766 -4.090 1.089 118 HE1 TYR 21 HE1 TYR 21 8.187 -6.834 3.055 119 HE2 TYR 21 HE2 TYR 21 12.283 -6.326 1.975 120 HH TYR 21 HH TYR 21 9.752 -8.495 3.082 121 H CYS 22 H CYS 22 10.856 -0.329 2.249 122 HA CYS 22 HA CYS 22 9.555 1.894 0.817 123 HB2 CYS 22 2HB CYS 22 11.462 2.079 3.159 124 HB3 CYS 22 3HB CYS 22 10.835 3.451 2.251 125 H VAL 23 H VAL 23 10.570 2.498 -0.972 126 HA VAL 23 HA VAL 23 13.481 2.249 -1.145 127 HB VAL 23 HB VAL 23 11.637 1.189 -3.291 128 HG11 VAL 23 1HG1 VAL 23 14.569 1.654 -3.117 129 HG12 VAL 23 2HG1 VAL 23 13.996 0.233 -3.994 130 HG13 VAL 23 3HG1 VAL 23 13.473 1.845 -4.485 131 HG21 VAL 23 1HG2 VAL 23 11.526 -0.457 -1.674 132 HG22 VAL 23 2HG2 VAL 23 12.906 -0.987 -2.635 133 HG23 VAL 23 3HG2 VAL 23 13.167 -0.155 -1.102 134 H GLY 24 H GLY 24 14.466 3.713 -2.536 135 HA2 GLY 24 2HA GLY 24 12.665 5.670 -3.821 136 HA3 GLY 24 3HA GLY 24 14.035 6.188 -2.850 137 H TYR 25 H TYR 25 13.005 5.722 -5.932 138 HA TYR 25 HA TYR 25 15.680 5.057 -6.952 139 HB2 TYR 25 2HB TYR 25 13.793 3.679 -7.773 140 HB3 TYR 25 3HB TYR 25 13.039 5.128 -8.429 141 HD1 TYR 25 HD1 TYR 25 13.983 6.240 -10.394 142 HD2 TYR 25 HD2 TYR 25 15.689 2.656 -8.862 143 HE1 TYR 25 HE1 TYR 25 15.228 5.943 -12.494 144 HE2 TYR 25 HE2 TYR 25 16.940 2.350 -10.958 145 HH TYR 25 HH TYR 25 17.754 3.679 -12.828 146 H CYS 26 H CYS 26 16.906 6.767 -7.361 147 HA CYS 26 HA CYS 26 15.628 9.193 -8.439 148 HB2 CYS 26 2HB CYS 26 18.292 9.060 -7.023 149 HB3 CYS 26 3HB CYS 26 17.362 10.499 -7.430 150 H GLY 27 H GLY 27 16.418 10.120 -10.282 151 HA2 GLY 27 2HA GLY 27 18.872 9.077 -11.470 152 HA3 GLY 27 3HA GLY 27 17.385 8.802 -12.366 153 H ASN 28 H ASN 28 19.967 10.616 -12.503 154 HA ASN 28 HA ASN 28 20.501 12.598 -13.480 155 HB2 ASN 28 2HB ASN 28 18.263 11.713 -14.826 156 HB3 ASN 28 3HB ASN 28 17.805 13.345 -14.346 157 HD21 ASN 28 1HD2 ASN 28 18.125 12.592 -16.990 158 HD22 ASN 28 2HD2 ASN 28 19.488 13.424 -17.650 159 H ASN 29 H ASN 29 19.445 12.447 -10.710 160 HA ASN 29 HA ASN 29 18.612 15.260 -10.432 161 HB2 ASN 29 2HB ASN 29 17.988 13.199 -8.343 162 HB3 ASN 29 3HB ASN 29 17.178 14.728 -8.672 163 HD21 ASN 29 1HD2 ASN 29 16.421 14.734 -11.138 164 HD22 ASN 29 2HD2 ASN 29 15.442 13.370 -11.549 165 H GLY 30 H GLY 30 19.912 12.685 -8.325 166 HA2 GLY 30 2HA GLY 30 22.443 13.363 -7.886 167 HA3 GLY 30 3HA GLY 30 21.623 14.654 -7.021 168 H VAL 31 H VAL 31 22.766 13.789 -5.148 169 HA VAL 31 HA VAL 31 21.906 11.205 -4.147 170 HB VAL 31 HB VAL 31 23.602 13.269 -2.740 171 HG11 VAL 31 1HG1 VAL 31 22.681 10.559 -2.110 172 HG12 VAL 31 2HG1 VAL 31 24.411 10.818 -1.880 173 HG13 VAL 31 3HG1 VAL 31 23.245 11.844 -1.043 174 HG21 VAL 31 1HG2 VAL 31 25.541 12.022 -3.545 175 HG22 VAL 31 2HG2 VAL 31 24.482 10.961 -4.475 176 HG23 VAL 31 3HG2 VAL 31 24.603 12.670 -4.891 177 H VAL 32 H VAL 32 21.434 14.624 -3.401 178 HA VAL 32 HA VAL 32 20.095 14.435 -0.987 179 HB VAL 32 HB VAL 32 19.516 16.380 -3.226 180 HG11 VAL 32 1HG1 VAL 32 18.232 15.996 -0.732 181 HG12 VAL 32 2HG1 VAL 32 19.167 17.489 -0.629 182 HG13 VAL 32 3HG1 VAL 32 17.973 17.282 -1.911 183 HG21 VAL 32 1HG2 VAL 32 21.737 16.766 -2.817 184 HG22 VAL 32 2HG2 VAL 32 21.009 17.817 -1.602 185 HG23 VAL 32 3HG2 VAL 32 21.635 16.235 -1.138 186 H THR 33 H THR 33 18.507 14.787 -4.165 187 HA THR 33 HA THR 33 15.923 14.210 -3.284 188 HB THR 33 HB THR 33 16.413 13.269 -6.000 189 HG1 THR 33 HG1 THR 33 17.599 14.872 -6.721 190 HG21 THR 33 1HG2 THR 33 14.817 15.544 -4.816 191 HG22 THR 33 2HG2 THR 33 14.218 13.938 -5.231 192 HG23 THR 33 3HG2 THR 33 14.748 15.037 -6.503 193 H ARG 34 H RSS 34 18.462 12.071 -4.497 194 HB2 ARG 34 2HB RSS 34 19.340 9.812 -5.473 195 HB3 ARG 34 3HB RSS 34 19.872 10.190 -3.840 196 HG2 ARG 34 2HG RSS 34 18.406 7.664 -4.094 197 HG3 ARG 34 3HG RSS 34 19.944 7.726 -4.958 198 HD2 ARG 34 2HD RSS 34 20.769 8.766 -2.669 199 HD3 ARG 34 3HD RSS 34 19.387 7.868 -2.041 200 HE ARG 34 HE RSS 34 21.858 6.780 -3.042 201 HH11 ARG 34 1HH2 RSS 34 22.146 4.524 -2.873 202 HH12 ARG 34 2HH2 RSS 34 20.782 3.514 -2.530 203 HH21 ARG 34 1HH1 RSS 34 18.497 6.158 -2.381 204 HH22 ARG 34 2HH1 RSS 34 18.706 4.443 -2.251 205 H ASN 35 H ASN 35 18.058 11.326 -1.870 206 HA ASN 35 HA ASN 35 17.465 9.061 -0.177 207 HB2 ASN 35 2HB ASN 35 18.211 11.928 0.416 208 HB3 ASN 35 3HB ASN 35 17.865 10.744 1.673 209 HD21 ASN 35 1HD2 ASN 35 20.299 12.239 0.252 210 HD22 ASN 35 2HD2 ASN 35 21.523 11.022 0.317 211 H ALA 36 H ALA 36 16.050 12.269 -0.772 212 HA ALA 36 HA ALA 36 13.913 12.167 0.971 213 HB1 ALA 36 1HB ALA 36 14.755 13.877 -1.020 214 HB2 ALA 36 2HB ALA 36 13.171 13.342 -1.582 215 HB3 ALA 36 3HB ALA 36 13.336 14.093 0.006 216 H ASN 37 H ASN 37 14.264 10.662 -2.186 217 HA ASN 37 HA ASN 37 11.655 9.962 -2.750 218 HB2 ASN 37 2HB ASN 37 14.288 8.644 -3.330 219 HB3 ASN 37 3HB ASN 37 12.786 7.852 -3.797 220 HD21 ASN 37 1HD2 ASN 37 12.294 8.188 -5.827 221 HD22 ASN 37 2HD2 ASN 37 12.578 9.637 -6.724 222 H ALA 38 H ALA 38 14.025 8.113 -0.842 223 HA ALA 38 HA ALA 38 12.392 5.946 -0.201 224 HB1 ALA 38 1HB ALA 38 13.916 5.635 1.744 225 HB2 ALA 38 2HB ALA 38 14.750 5.841 0.203 226 HB3 ALA 38 3HB ALA 38 14.664 7.182 1.345 227 H ASN 39 H ASN 39 12.415 9.184 1.026 228 HA ASN 39 HA ASN 39 11.071 8.670 3.480 229 HB2 ASN 39 2HB ASN 39 12.403 10.782 2.681 230 HB3 ASN 39 3HB ASN 39 10.843 11.289 2.039 231 HD21 ASN 39 1HD2 ASN 39 11.387 13.038 3.644 232 HD22 ASN 39 2HD2 ASN 39 10.796 12.824 5.253 233 H VAL 40 H VAL 40 10.031 9.265 0.195 234 HA VAL 40 HA VAL 40 7.273 9.690 0.872 235 HB VAL 40 HB VAL 40 8.528 9.044 -1.799 236 HG11 VAL 40 1HG1 VAL 40 5.770 10.031 -1.087 237 HG12 VAL 40 2HG1 VAL 40 6.427 9.983 -2.724 238 HG13 VAL 40 3HG1 VAL 40 6.187 8.485 -1.825 239 HG21 VAL 40 1HG2 VAL 40 9.433 11.097 -1.178 240 HG22 VAL 40 2HG2 VAL 40 8.022 11.549 -2.134 241 HG23 VAL 40 3HG2 VAL 40 7.953 11.617 -0.373 242 H ALA 41 H ALA 41 9.277 6.961 0.026 243 HA ALA 41 HA ALA 41 7.026 5.189 -0.384 244 HB1 ALA 41 1HB ALA 41 9.998 4.874 -0.479 245 HB2 ALA 41 2HB ALA 41 8.954 3.454 -0.409 246 HB3 ALA 41 3HB ALA 41 8.800 4.596 -1.744 247 H LYS 42 H KSS 42 9.665 5.488 1.990 248 HB2 LYS 42 2HB KSS 42 10.264 4.517 5.372 249 HB3 LYS 42 3HB KSS 42 11.018 4.888 3.826 250 HG2 LYS 42 2HG KSS 42 11.034 6.982 4.623 251 HG3 LYS 42 3HG KSS 42 9.356 6.999 4.077 252 HD2 LYS 42 2HD KSS 42 9.078 7.725 6.229 253 HD3 LYS 42 3HD KSS 42 8.929 5.984 6.476 254 HE2 LYS 42 2HE KSS 42 10.737 5.942 7.775 255 HE3 LYS 42 3HE KSS 42 11.691 6.817 6.578 256 HZ1 LYS 42 1HZ KSS 42 10.210 7.837 8.883 257 HZ2 LYS 42 2HZ KSS 42 10.282 8.818 7.507 258 HZ3 LYS 42 3HZ KSS 42 11.710 8.317 8.264 259 H THR 43 H THR 43 7.499 6.571 3.312 260 HA THR 43 HA THR 43 5.926 6.380 5.723 261 HB THR 43 HB THR 43 4.717 8.388 4.682 262 HG1 THR 43 HG1 THR 43 5.653 7.787 2.516 263 HG21 THR 43 1HG2 THR 43 6.427 9.906 5.375 264 HG22 THR 43 2HG2 THR 43 7.689 8.710 5.082 265 HG23 THR 43 3HG2 THR 43 6.546 8.479 6.404 266 H ALA 44 H ALA 44 5.455 5.842 2.275 267 HA ALA 44 HA ALA 44 2.630 5.408 2.483 268 HB1 ALA 44 1HB ALA 44 2.727 5.627 0.279 269 HB2 ALA 44 2HB ALA 44 4.482 5.768 0.397 270 HB3 ALA 44 3HB ALA 44 3.739 4.188 0.145 Start of MODEL 7 1 H1 TRP 1 H TRP 1 1.707 -2.020 -0.229 2 HA TRP 1 HA TRP 1 2.144 -0.929 -2.179 3 HB2 TRP 1 2HB TRP 1 -0.317 -0.337 -1.998 4 HB3 TRP 1 3HB TRP 1 0.189 1.195 -1.291 5 HD1 TRP 1 HD1 TRP 1 0.230 3.074 -3.011 6 HE1 TRP 1 HE1 TRP 1 0.682 3.268 -5.537 7 HE3 TRP 1 HE3 TRP 1 1.247 -1.831 -4.033 8 HZ2 TRP 1 HZ2 TRP 1 1.377 1.567 -7.680 9 HZ3 TRP 1 HZ3 TRP 1 1.795 -2.464 -6.347 10 HH2 TRP 1 HH2 TRP 1 1.858 -0.799 -8.131 11 H GLY 2 H GLY 2 4.202 -0.253 -2.054 12 HA2 GLY 2 2HA GLY 2 4.670 2.501 -1.218 13 HA3 GLY 2 3HA GLY 2 5.556 1.260 -0.344 14 H CYS 3 H CYS 3 5.186 2.937 -3.374 15 HA CYS 3 HA CYS 3 7.904 2.241 -4.092 16 HB2 CYS 3 2HB CYS 3 5.664 0.888 -5.276 17 HB3 CYS 3 3HB CYS 3 6.466 1.868 -6.499 18 H VAL 4 H VAL 4 8.844 4.060 -4.714 19 HA VAL 4 HA VAL 4 7.202 6.108 -6.058 20 HB VAL 4 HB VAL 4 7.913 6.775 -3.777 21 HG11 VAL 4 1HG1 VAL 4 10.390 5.686 -4.628 22 HG12 VAL 4 2HG1 VAL 4 10.637 7.399 -4.284 23 HG13 VAL 4 3HG1 VAL 4 9.962 6.339 -3.047 24 HG21 VAL 4 1HG2 VAL 4 8.509 8.970 -4.357 25 HG22 VAL 4 2HG2 VAL 4 9.369 8.446 -5.806 26 HG23 VAL 4 3HG2 VAL 4 7.608 8.368 -5.748 27 H CYS 5 H CYS 5 8.174 7.324 -7.714 28 HA CYS 5 HA CYS 5 10.805 6.452 -8.653 29 HB2 CYS 5 2HB CYS 5 8.378 6.543 -10.456 30 HB3 CYS 5 3HB CYS 5 10.015 6.087 -10.918 31 H SER 6 H SER 6 11.907 7.966 -9.899 32 HA SER 6 HA SER 6 10.876 10.687 -9.660 33 HB2 SER 6 2HB SER 6 13.308 11.176 -10.515 34 HB3 SER 6 3HB SER 6 13.053 10.656 -8.849 35 HG SER 6 HG SER 6 14.741 9.517 -10.022 36 H GLY 7 H GLY 7 9.340 9.733 -11.470 37 HA2 GLY 7 2HA GLY 7 10.004 11.125 -13.858 38 HA3 GLY 7 3HA GLY 7 10.171 9.391 -14.092 39 H SER 8 H SER 8 8.317 8.057 -13.926 40 HA SER 8 HA SER 8 5.747 9.487 -13.956 41 HB2 SER 8 2HB SER 8 6.761 8.750 -16.271 42 HB3 SER 8 3HB SER 8 6.173 7.158 -15.792 43 HG SER 8 HG SER 8 4.728 8.727 -17.016 44 H THR 9 H THR 9 3.894 7.777 -13.937 45 HA THR 9 HA THR 9 4.247 6.238 -11.544 46 HB THR 9 HB THR 9 1.858 6.238 -13.395 47 HG1 THR 9 HG1 THR 9 1.522 8.198 -12.695 48 HG21 THR 9 1HG2 THR 9 1.798 4.423 -11.805 49 HG22 THR 9 2HG2 THR 9 0.641 5.657 -11.306 50 HG23 THR 9 3HG2 THR 9 2.194 5.519 -10.482 51 H ALA 10 H ALA 10 3.797 5.502 -14.974 52 HA ALA 10 HA ALA 10 3.442 2.768 -14.869 53 HB1 ALA 10 1HB ALA 10 4.911 4.434 -16.902 54 HB2 ALA 10 2HB ALA 10 4.523 2.728 -17.126 55 HB3 ALA 10 3HB ALA 10 3.227 3.911 -16.949 56 H VAL 11 H VAL 11 6.450 4.614 -14.698 57 HA VAL 11 HA VAL 11 8.093 2.244 -14.610 58 HB VAL 11 HB VAL 11 8.980 4.280 -15.621 59 HG11 VAL 11 1HG1 VAL 11 8.708 5.452 -12.856 60 HG12 VAL 11 2HG1 VAL 11 9.580 6.208 -14.191 61 HG13 VAL 11 3HG1 VAL 11 7.838 5.950 -14.307 62 HG21 VAL 11 1HG2 VAL 11 11.056 3.742 -14.993 63 HG22 VAL 11 2HG2 VAL 11 10.762 4.209 -13.318 64 HG23 VAL 11 3HG2 VAL 11 10.297 2.603 -13.880 65 H ALA 12 H ALS 12 6.625 4.440 -12.333 66 HB1 ALA 12 1HB ALS 12 6.314 4.752 -8.776 67 HB2 ALA 12 2HB ALS 12 6.517 5.720 -10.237 68 HB3 ALA 12 3HB ALS 12 5.215 4.534 -10.139 69 H ASN 13 H ASN 13 5.159 2.353 -11.229 70 HA ASN 13 HA ASN 13 5.189 0.375 -9.141 71 HB2 ASN 13 2HB ASN 13 3.163 -0.410 -10.046 72 HB3 ASN 13 3HB ASN 13 3.125 1.326 -10.342 73 HD21 ASN 13 1HD2 ASN 13 3.629 2.082 -12.467 74 HD22 ASN 13 2HD2 ASN 13 3.350 1.065 -13.836 75 H SER 14 H SER 14 6.376 0.642 -12.390 76 HA SER 14 HA SER 14 6.588 -1.998 -13.175 77 HB2 SER 14 2HB SER 14 7.162 -0.179 -14.677 78 HB3 SER 14 3HB SER 14 8.528 0.276 -13.658 79 HG SER 14 HG SER 14 9.062 -1.036 -15.528 80 H HIS 15 H HIS 15 8.538 -0.200 -10.887 81 HA HIS 15 HA HIS 15 10.383 -2.441 -10.569 82 HB2 HIS 15 2HB HIS 15 10.560 0.392 -10.210 83 HB3 HIS 15 3HB HIS 15 10.923 -0.394 -8.676 84 HD1 HIS 15 HD1 HIS 15 13.104 -1.716 -8.512 85 HD2 HIS 15 HD2 HIS 15 12.396 -0.144 -12.292 86 HE1 HIS 15 HE1 HIS 15 15.261 -2.000 -9.773 87 H ASN 16 H NSS 16 8.530 -0.341 -8.352 88 HB2 ASN 16 2HB NSS 16 6.376 -2.354 -8.079 89 HB3 ASN 16 3HB NSS 16 7.001 -3.566 -6.965 90 HD21 ASN 16 1HD2 NSS 16 5.086 -0.618 -7.156 91 HD22 ASN 16 2HD2 NSS 16 4.100 -0.954 -5.777 92 H ALA 17 H ALA 17 7.424 -2.901 -4.656 93 HA ALA 17 HA ALA 17 9.827 -4.395 -4.414 94 HB1 ALA 17 1HB ALA 17 9.853 -1.729 -3.331 95 HB2 ALA 17 2HB ALA 17 10.053 -2.925 -2.050 96 HB3 ALA 17 3HB ALA 17 11.155 -2.915 -3.426 97 H GLY 18 H GLY 18 7.339 -2.824 -2.390 98 HA2 GLY 18 2HA GLY 18 5.772 -4.954 -1.793 99 HA3 GLY 18 3HA GLY 18 7.126 -5.148 -0.690 100 HA PRO 19 HA PRO 19 3.818 -2.190 0.988 101 HB2 PRO 19 2HB PRO 19 2.846 -3.804 2.942 102 HB3 PRO 19 3HB PRO 19 2.176 -3.764 1.307 103 HG2 PRO 19 2HG PRO 19 4.097 -5.714 2.520 104 HG3 PRO 19 3HG PRO 19 2.696 -6.024 1.477 105 HD2 PRO 19 2HD PRO 19 5.237 -6.009 0.539 106 HD3 PRO 19 3HD PRO 19 3.852 -5.494 -0.446 107 H ALA 20 H ALA 20 6.135 -4.399 2.441 108 HA ALA 20 HA ALA 20 6.572 -2.477 4.628 109 HB1 ALA 20 1HB ALA 20 7.306 -5.398 4.478 110 HB2 ALA 20 2HB ALA 20 7.631 -4.326 5.841 111 HB3 ALA 20 3HB ALA 20 5.968 -4.704 5.393 112 H TYR 21 H TYR 21 7.634 -2.407 1.821 113 HA TYR 21 HA TYR 21 10.495 -2.325 2.518 114 HB2 TYR 21 2HB TYR 21 9.217 -3.162 -0.087 115 HB3 TYR 21 3HB TYR 21 10.931 -2.800 0.078 116 HD1 TYR 21 HD1 TYR 21 12.409 -4.499 0.649 117 HD2 TYR 21 HD2 TYR 21 8.271 -4.986 1.512 118 HE1 TYR 21 HE1 TYR 21 12.834 -6.817 1.356 119 HE2 TYR 21 HE2 TYR 21 8.685 -7.304 2.222 120 HH TYR 21 HH TYR 21 10.182 -8.952 2.344 121 H CYS 22 H CYS 22 11.590 -0.499 2.021 122 HA CYS 22 HA CYS 22 10.052 1.658 0.736 123 HB2 CYS 22 2HB CYS 22 12.209 1.726 2.844 124 HB3 CYS 22 3HB CYS 22 11.708 3.164 1.960 125 H VAL 23 H VAL 23 10.656 2.062 -1.278 126 HA VAL 23 HA VAL 23 13.522 1.916 -1.945 127 HB VAL 23 HB VAL 23 11.252 1.133 -3.778 128 HG11 VAL 23 1HG1 VAL 23 13.390 0.174 -5.005 129 HG12 VAL 23 2HG1 VAL 23 12.846 1.834 -5.254 130 HG13 VAL 23 3HG1 VAL 23 14.177 1.498 -4.147 131 HG21 VAL 23 1HG2 VAL 23 12.180 -1.149 -3.580 132 HG22 VAL 23 2HG2 VAL 23 13.281 -0.568 -2.331 133 HG23 VAL 23 3HG2 VAL 23 11.540 -0.537 -2.054 134 H GLY 24 H GLY 24 14.353 3.617 -3.034 135 HA2 GLY 24 2HA GLY 24 12.457 5.627 -4.072 136 HA3 GLY 24 3HA GLY 24 13.820 6.095 -3.068 137 H TYR 25 H TYR 25 12.767 5.960 -6.162 138 HA TYR 25 HA TYR 25 15.104 5.066 -7.524 139 HB2 TYR 25 2HB TYR 25 12.592 5.436 -8.335 140 HB3 TYR 25 3HB TYR 25 13.244 6.996 -8.825 141 HD1 TYR 25 HD1 TYR 25 13.127 3.442 -9.528 142 HD2 TYR 25 HD2 TYR 25 15.088 7.094 -10.488 143 HE1 TYR 25 HE1 TYR 25 14.021 2.416 -11.577 144 HE2 TYR 25 HE2 TYR 25 15.987 6.078 -12.539 145 HH TYR 25 HH TYR 25 14.933 3.730 -14.045 146 H CYS 26 H CYS 26 16.979 6.081 -7.686 147 HA CYS 26 HA CYS 26 17.046 8.986 -7.942 148 HB2 CYS 26 2HB CYS 26 18.466 7.439 -5.774 149 HB3 CYS 26 3HB CYS 26 18.953 9.058 -6.264 150 H GLY 27 H GLY 27 18.770 9.754 -9.122 151 HA2 GLY 27 2HA GLY 27 21.198 8.613 -9.645 152 HA3 GLY 27 3HA GLY 27 20.110 7.830 -10.781 153 H ASN 28 H ASN 28 22.380 9.969 -10.849 154 HA ASN 28 HA ASN 28 22.938 11.734 -12.170 155 HB2 ASN 28 2HB ASN 28 21.885 10.231 -13.900 156 HB3 ASN 28 3HB ASN 28 20.392 11.142 -13.687 157 HD21 ASN 28 1HD2 ASN 28 20.763 11.472 -16.027 158 HD22 ASN 28 2HD2 ASN 28 21.728 12.822 -16.507 159 H ASN 29 H ASN 29 21.157 12.085 -9.830 160 HA ASN 29 HA ASN 29 20.051 14.708 -10.580 161 HB2 ASN 29 2HB ASN 29 18.832 12.950 -8.454 162 HB3 ASN 29 3HB ASN 29 18.145 14.389 -9.202 163 HD21 ASN 29 1HD2 ASN 29 17.619 11.294 -9.009 164 HD22 ASN 29 2HD2 ASN 29 17.076 10.925 -10.607 165 H GLY 30 H GLY 30 20.950 12.729 -7.746 166 HA2 GLY 30 2HA GLY 30 23.014 14.036 -6.695 167 HA3 GLY 30 3HA GLY 30 21.708 15.142 -6.297 168 H VAL 31 H VAL 31 22.575 14.602 -4.090 169 HA VAL 31 HA VAL 31 21.857 11.999 -3.046 170 HB VAL 31 HB VAL 31 22.856 14.444 -1.577 171 HG11 VAL 31 1HG1 VAL 31 23.526 12.690 0.124 172 HG12 VAL 31 2HG1 VAL 31 21.799 13.031 -0.007 173 HG13 VAL 31 3HG1 VAL 31 22.472 11.578 -0.748 174 HG21 VAL 31 1HG2 VAL 31 24.198 12.554 -3.288 175 HG22 VAL 31 2HG2 VAL 31 24.826 14.011 -2.518 176 HG23 VAL 31 3HG2 VAL 31 24.838 12.477 -1.647 177 H VAL 32 H VAL 32 20.750 15.348 -2.712 178 HA VAL 32 HA VAL 32 18.838 15.045 -0.742 179 HB VAL 32 HB VAL 32 18.570 16.796 -3.189 180 HG11 VAL 32 1HG1 VAL 32 16.618 17.366 -2.288 181 HG12 VAL 32 2HG1 VAL 32 16.940 16.414 -0.838 182 HG13 VAL 32 3HG1 VAL 32 17.520 18.076 -0.950 183 HG21 VAL 32 1HG2 VAL 32 19.582 18.538 -1.681 184 HG22 VAL 32 2HG2 VAL 32 20.017 17.229 -0.583 185 HG23 VAL 32 3HG2 VAL 32 20.686 17.270 -2.214 186 H THR 33 H THR 33 18.278 14.857 -4.262 187 HA THR 33 HA THR 33 15.607 14.118 -4.189 188 HB THR 33 HB THR 33 17.199 12.798 -6.295 189 HG1 THR 33 HG1 THR 33 18.417 14.486 -6.647 190 HG21 THR 33 1HG2 THR 33 14.751 13.040 -6.393 191 HG22 THR 33 2HG2 THR 33 15.546 13.862 -7.736 192 HG23 THR 33 3HG2 THR 33 14.933 14.794 -6.370 193 H ARG 34 H RSS 34 18.482 12.026 -4.228 194 HB2 ARG 34 2HB RSS 34 19.638 9.698 -4.494 195 HB3 ARG 34 3HB RSS 34 19.762 10.429 -2.900 196 HG2 ARG 34 2HG RSS 34 18.473 7.805 -2.908 197 HG3 ARG 34 3HG RSS 34 20.151 7.795 -3.457 198 HD2 ARG 34 2HD RSS 34 20.734 9.096 -1.395 199 HD3 ARG 34 3HD RSS 34 19.082 8.835 -0.840 200 HE ARG 34 HE RSS 34 19.649 6.690 -0.286 201 HH11 ARG 34 1HH2 RSS 34 21.046 4.903 -0.048 202 HH12 ARG 34 2HH2 RSS 34 22.552 4.878 -0.902 203 HH21 ARG 34 1HH1 RSS 34 22.065 7.984 -2.434 204 HH22 ARG 34 2HH1 RSS 34 23.132 6.631 -2.259 205 H ASN 35 H ASN 35 17.503 11.777 -1.660 206 HA ASN 35 HA ASN 35 16.612 9.847 0.296 207 HB2 ASN 35 2HB ASN 35 17.071 12.831 0.433 208 HB3 ASN 35 3HB ASN 35 16.519 11.870 1.802 209 HD21 ASN 35 1HD2 ASN 35 19.139 13.259 0.525 210 HD22 ASN 35 2HD2 ASN 35 20.376 12.216 1.132 211 H ALA 36 H ALA 36 15.253 12.696 -1.328 212 HA ALA 36 HA ALA 36 12.781 12.810 -0.105 213 HB1 ALA 36 1HB ALA 36 13.878 14.300 -1.954 214 HB2 ALA 36 2HB ALA 36 12.955 13.266 -3.046 215 HB3 ALA 36 3HB ALA 36 12.123 14.205 -1.808 216 H ASN 37 H ASN 37 13.808 10.782 -2.819 217 HA ASN 37 HA ASN 37 11.291 9.676 -3.410 218 HB2 ASN 37 2HB ASN 37 14.102 8.672 -3.854 219 HB3 ASN 37 3HB ASN 37 12.685 7.788 -4.412 220 HD21 ASN 37 1HD2 ASN 37 11.905 8.267 -6.342 221 HD22 ASN 37 2HD2 ASN 37 12.300 9.671 -7.268 222 H ALA 38 H ALA 38 13.997 8.195 -1.612 223 HA ALA 38 HA ALA 38 12.624 5.949 -0.710 224 HB1 ALA 38 1HB ALA 38 14.961 5.921 -0.503 225 HB2 ALA 38 2HB ALA 38 14.985 7.435 0.401 226 HB3 ALA 38 3HB ALA 38 14.359 5.969 1.155 227 H ASN 39 H ASN 39 12.512 9.231 0.391 228 HA ASN 39 HA ASN 39 11.468 8.722 2.989 229 HB2 ASN 39 2HB ASN 39 12.477 10.844 2.649 230 HB3 ASN 39 3HB ASN 39 11.498 11.164 1.220 231 HD21 ASN 39 1HD2 ASN 39 10.198 12.790 1.649 232 HD22 ASN 39 2HD2 ASN 39 9.256 12.989 3.083 233 H VAL 40 H VAL 40 10.059 9.111 -0.189 234 HA VAL 40 HA VAL 40 7.358 9.351 0.761 235 HB VAL 40 HB VAL 40 8.359 8.696 -2.013 236 HG11 VAL 40 1HG1 VAL 40 5.657 9.657 -1.079 237 HG12 VAL 40 2HG1 VAL 40 6.145 9.410 -2.757 238 HG13 VAL 40 3HG1 VAL 40 6.034 8.035 -1.657 239 HG21 VAL 40 1HG2 VAL 40 8.892 10.838 -2.252 240 HG22 VAL 40 2HG2 VAL 40 7.281 11.331 -1.731 241 HG23 VAL 40 3HG2 VAL 40 8.557 11.087 -0.538 242 H ALA 41 H ALA 41 9.482 6.757 -0.195 243 HA ALA 41 HA ALA 41 7.347 4.805 -0.340 244 HB1 ALA 41 1HB ALA 41 10.164 3.915 -0.209 245 HB2 ALA 41 2HB ALA 41 8.859 3.405 -1.280 246 HB3 ALA 41 3HB ALA 41 9.709 4.919 -1.587 247 H LYS 42 H KSS 42 10.187 5.356 1.742 248 HB2 LYS 42 2HB KSS 42 11.209 4.512 5.051 249 HB3 LYS 42 3HB KSS 42 11.753 4.912 3.427 250 HG2 LYS 42 2HG KSS 42 10.495 7.027 3.557 251 HG3 LYS 42 3HG KSS 42 10.043 6.628 5.216 252 HD2 LYS 42 2HD KSS 42 12.681 6.333 5.438 253 HD3 LYS 42 3HD KSS 42 12.657 7.492 4.107 254 HE2 LYS 42 2HE KSS 42 11.770 9.160 5.395 255 HE3 LYS 42 3HE KSS 42 10.936 8.037 6.468 256 HZ1 LYS 42 1HZ KSS 42 12.847 9.222 7.492 257 HZ2 LYS 42 2HZ KSS 42 13.880 8.397 6.437 258 HZ3 LYS 42 3HZ KSS 42 12.964 7.536 7.569 259 H THR 43 H THR 43 8.146 6.390 3.285 260 HA THR 43 HA THR 43 6.791 6.089 5.830 261 HB THR 43 HB THR 43 6.362 8.140 3.648 262 HG1 THR 43 HG1 THR 43 8.075 9.054 4.468 263 HG21 THR 43 1HG2 THR 43 5.332 9.434 5.563 264 HG22 THR 43 2HG2 THR 43 5.330 7.922 6.471 265 HG23 THR 43 3HG2 THR 43 4.398 8.057 4.980 266 H ALA 44 H ALA 44 6.130 5.625 2.421 267 HA ALA 44 HA ALA 44 3.314 5.310 2.671 268 HB1 ALA 44 1HB ALA 44 3.548 4.207 0.401 269 HB2 ALA 44 2HB ALA 44 4.121 5.870 0.529 270 HB3 ALA 44 3HB ALA 44 5.276 4.537 0.529 Start of MODEL 8 1 H1 TRP 1 H TRP 1 2.091 -0.230 1.273 2 HA TRP 1 HA TRP 1 3.429 -1.252 -0.578 3 HB2 TRP 1 2HB TRP 1 2.586 -0.942 -2.845 4 HB3 TRP 1 3HB TRP 1 1.421 -1.848 -1.884 5 HD1 TRP 1 HD1 TRP 1 -0.561 -0.073 -0.727 6 HE1 TRP 1 HE1 TRP 1 -1.888 1.728 -2.000 7 HE3 TRP 1 HE3 TRP 1 2.546 0.539 -4.741 8 HZ2 TRP 1 HZ2 TRP 1 -1.649 3.212 -4.389 9 HZ3 TRP 1 HZ3 TRP 1 1.924 2.169 -6.476 10 HH2 TRP 1 HH2 TRP 1 -0.130 3.476 -6.302 11 H GLY 2 H GLY 2 5.123 0.019 -0.988 12 HA2 GLY 2 2HA GLY 2 4.642 2.899 -1.404 13 HA3 GLY 2 3HA GLY 2 5.838 2.356 -0.237 14 H CYS 3 H CYS 3 5.233 3.139 -3.482 15 HA CYS 3 HA CYS 3 8.011 2.543 -4.152 16 HB2 CYS 3 2HB CYS 3 5.933 0.908 -5.047 17 HB3 CYS 3 3HB CYS 3 6.285 1.960 -6.414 18 H VAL 4 H VAL 4 8.884 4.358 -4.873 19 HA VAL 4 HA VAL 4 7.200 6.214 -6.427 20 HB VAL 4 HB VAL 4 7.750 7.117 -4.194 21 HG11 VAL 4 1HG1 VAL 4 9.848 6.050 -3.754 22 HG12 VAL 4 2HG1 VAL 4 10.593 6.826 -5.153 23 HG13 VAL 4 3HG1 VAL 4 10.110 7.793 -3.759 24 HG21 VAL 4 1HG2 VAL 4 7.722 8.429 -6.515 25 HG22 VAL 4 2HG2 VAL 4 8.026 9.233 -4.976 26 HG23 VAL 4 3HG2 VAL 4 9.376 8.790 -6.020 27 H CYS 5 H CYS 5 8.161 7.298 -8.161 28 HA CYS 5 HA CYS 5 10.879 6.492 -8.904 29 HB2 CYS 5 2HB CYS 5 8.549 6.377 -10.827 30 HB3 CYS 5 3HB CYS 5 10.216 5.914 -11.155 31 H SER 6 H SER 6 12.029 8.012 -10.021 32 HA SER 6 HA SER 6 10.916 10.686 -10.043 33 HB2 SER 6 2HB SER 6 13.182 10.377 -9.195 34 HB3 SER 6 3HB SER 6 13.686 9.675 -10.732 35 HG SER 6 HG SER 6 13.515 12.269 -10.018 36 H GLY 7 H GLY 7 9.444 9.433 -11.815 37 HA2 GLY 7 2HA GLY 7 10.062 10.765 -14.276 38 HA3 GLY 7 3HA GLY 7 10.246 9.022 -14.404 39 H SER 8 H SER 8 8.493 7.824 -14.816 40 HA SER 8 HA SER 8 5.885 9.188 -14.742 41 HB2 SER 8 2HB SER 8 7.176 7.423 -16.702 42 HB3 SER 8 3HB SER 8 5.509 6.980 -16.336 43 HG SER 8 HG SER 8 4.883 8.634 -17.454 44 H THR 9 H THR 9 4.032 7.456 -14.666 45 HA THR 9 HA THR 9 4.315 6.121 -12.135 46 HB THR 9 HB THR 9 1.919 5.387 -12.614 47 HG1 THR 9 HG1 THR 9 1.396 5.650 -14.654 48 HG21 THR 9 1HG2 THR 9 1.069 7.391 -11.819 49 HG22 THR 9 2HG2 THR 9 2.163 8.364 -12.802 50 HG23 THR 9 3HG2 THR 9 2.772 7.518 -11.379 51 H ALA 10 H ALA 10 4.379 5.216 -15.488 52 HA ALA 10 HA ALA 10 3.841 2.455 -15.188 53 HB1 ALA 10 1HB ALA 10 5.363 3.937 -17.326 54 HB2 ALA 10 2HB ALA 10 4.894 2.240 -17.423 55 HB3 ALA 10 3HB ALA 10 3.656 3.494 -17.348 56 H VAL 11 H VAL 11 6.778 4.372 -14.962 57 HA VAL 11 HA VAL 11 8.488 2.050 -14.764 58 HB VAL 11 HB VAL 11 9.380 4.052 -15.808 59 HG11 VAL 11 1HG1 VAL 11 9.840 6.069 -14.428 60 HG12 VAL 11 2HG1 VAL 11 8.122 5.761 -14.685 61 HG13 VAL 11 3HG1 VAL 11 8.870 5.357 -13.139 62 HG21 VAL 11 1HG2 VAL 11 11.046 4.211 -13.444 63 HG22 VAL 11 2HG2 VAL 11 10.635 2.544 -13.848 64 HG23 VAL 11 3HG2 VAL 11 11.420 3.573 -15.046 65 H ALA 12 H ALS 12 6.852 4.249 -12.616 66 HB1 ALA 12 1HB ALS 12 6.706 5.618 -10.540 67 HB2 ALA 12 2HB ALS 12 5.392 4.441 -10.499 68 HB3 ALA 12 3HB ALS 12 6.415 4.671 -9.080 69 H ASN 13 H ASN 13 5.402 2.197 -11.527 70 HA ASN 13 HA ASN 13 5.329 0.296 -9.372 71 HB2 ASN 13 2HB ASN 13 3.364 -0.532 -10.351 72 HB3 ASN 13 3HB ASN 13 3.339 1.182 -10.755 73 HD21 ASN 13 1HD2 ASN 13 3.954 1.813 -12.886 74 HD22 ASN 13 2HD2 ASN 13 3.773 0.712 -14.205 75 H SER 14 H SER 14 6.736 0.465 -12.533 76 HA SER 14 HA SER 14 7.015 -2.196 -13.219 77 HB2 SER 14 2HB SER 14 7.700 -0.540 -14.792 78 HB3 SER 14 3HB SER 14 8.864 0.151 -13.662 79 HG SER 14 HG SER 14 9.396 -1.593 -15.471 80 H HIS 15 H HIS 15 8.999 -0.252 -11.033 81 HA HIS 15 HA HIS 15 10.699 -2.538 -10.431 82 HB2 HIS 15 2HB HIS 15 10.853 0.373 -10.060 83 HB3 HIS 15 3HB HIS 15 11.474 -0.558 -8.700 84 HD1 HIS 15 HD1 HIS 15 12.151 0.241 -12.285 85 HD2 HIS 15 HD2 HIS 15 13.828 -1.992 -9.209 86 HE1 HIS 15 HE1 HIS 15 14.449 -0.390 -13.088 87 H ASN 16 H NSS 16 8.850 -0.190 -8.476 88 HB2 ASN 16 2HB NSS 16 6.625 -2.107 -8.103 89 HB3 ASN 16 3HB NSS 16 7.171 -3.231 -6.863 90 HD21 ASN 16 1HD2 NSS 16 5.167 -0.467 -7.548 91 HD22 ASN 16 2HD2 NSS 16 4.198 -0.567 -6.121 92 H ALA 17 H ALA 17 7.536 -2.370 -4.608 93 HA ALA 17 HA ALA 17 9.988 -3.796 -4.154 94 HB1 ALA 17 1HB ALA 17 9.566 -2.021 -1.880 95 HB2 ALA 17 2HB ALA 17 11.056 -2.459 -2.718 96 HB3 ALA 17 3HB ALA 17 10.031 -1.172 -3.355 97 H GLY 18 H GLY 18 7.367 -2.347 -2.200 98 HA2 GLY 18 2HA GLY 18 5.632 -4.287 -1.776 99 HA3 GLY 18 3HA GLY 18 6.995 -4.923 -0.867 100 HA PRO 19 HA PRO 19 4.337 -1.900 1.660 101 HB2 PRO 19 2HB PRO 19 3.131 -3.718 3.276 102 HB3 PRO 19 3HB PRO 19 2.432 -3.181 1.744 103 HG2 PRO 19 2HG PRO 19 3.976 -5.672 2.352 104 HG3 PRO 19 3HG PRO 19 2.512 -5.475 1.371 105 HD2 PRO 19 2HD PRO 19 4.978 -5.704 0.277 106 HD3 PRO 19 3HD PRO 19 3.690 -4.734 -0.466 107 H ALA 20 H ALA 20 6.405 -4.626 2.279 108 HA ALA 20 HA ALA 20 7.080 -3.579 4.940 109 HB1 ALA 20 1HB ALA 20 7.970 -5.706 5.471 110 HB2 ALA 20 2HB ALA 20 6.435 -6.002 4.654 111 HB3 ALA 20 3HB ALA 20 7.954 -6.215 3.783 112 H TYR 21 H TYR 21 7.962 -2.498 2.281 113 HA TYR 21 HA TYR 21 10.784 -2.298 2.953 114 HB2 TYR 21 2HB TYR 21 9.902 -3.111 0.177 115 HB3 TYR 21 3HB TYR 21 11.556 -2.829 0.709 116 HD1 TYR 21 HD1 TYR 21 8.820 -5.194 0.560 117 HD2 TYR 21 HD2 TYR 21 12.616 -4.412 2.317 118 HE1 TYR 21 HE1 TYR 21 9.017 -7.567 1.177 119 HE2 TYR 21 HE2 TYR 21 12.824 -6.783 2.937 120 HH TYR 21 HH TYR 21 11.923 -8.962 2.213 121 H CYS 22 H CYS 22 11.872 -0.678 1.413 122 HA CYS 22 HA CYS 22 10.017 1.341 0.405 123 HB2 CYS 22 2HB CYS 22 12.086 1.821 2.550 124 HB3 CYS 22 3HB CYS 22 11.394 3.121 1.586 125 H VAL 23 H VAL 23 10.720 2.295 -1.412 126 HA VAL 23 HA VAL 23 13.576 2.157 -2.075 127 HB VAL 23 HB VAL 23 11.350 1.358 -3.956 128 HG11 VAL 23 1HG1 VAL 23 14.325 1.585 -4.386 129 HG12 VAL 23 2HG1 VAL 23 13.204 0.819 -5.513 130 HG13 VAL 23 3HG1 VAL 23 13.064 2.542 -5.162 131 HG21 VAL 23 1HG2 VAL 23 13.617 -0.343 -2.943 132 HG22 VAL 23 2HG2 VAL 23 12.030 -0.300 -2.174 133 HG23 VAL 23 3HG2 VAL 23 12.187 -0.855 -3.840 134 H GLY 24 H GLY 24 14.366 3.896 -3.175 135 HA2 GLY 24 2HA GLY 24 12.415 5.930 -4.052 136 HA3 GLY 24 3HA GLY 24 13.792 6.371 -3.054 137 H TYR 25 H TYR 25 12.667 5.742 -6.224 138 HA TYR 25 HA TYR 25 15.218 5.389 -7.464 139 HB2 TYR 25 2HB TYR 25 12.767 4.819 -8.302 140 HB3 TYR 25 3HB TYR 25 12.879 6.432 -8.998 141 HD1 TYR 25 HD1 TYR 25 14.495 3.095 -8.945 142 HD2 TYR 25 HD2 TYR 25 14.109 6.815 -10.974 143 HE1 TYR 25 HE1 TYR 25 15.742 2.176 -10.855 144 HE2 TYR 25 HE2 TYR 25 15.353 5.905 -12.891 145 HH TYR 25 HH TYR 25 15.888 2.675 -13.370 146 H CYS 26 H CYS 26 16.704 6.920 -7.623 147 HA CYS 26 HA CYS 26 16.215 9.431 -8.810 148 HB2 CYS 26 2HB CYS 26 16.862 10.822 -6.781 149 HB3 CYS 26 3HB CYS 26 15.232 10.156 -6.778 150 H GLY 27 H GLY 27 17.983 7.667 -9.593 151 HA2 GLY 27 2HA GLY 27 20.580 8.432 -8.431 152 HA3 GLY 27 3HA GLY 27 20.286 6.992 -9.394 153 H ASN 28 H ASN 28 19.518 10.426 -9.941 154 HA ASN 28 HA ASN 28 21.499 10.748 -11.962 155 HB2 ASN 28 2HB ASN 28 19.744 9.296 -13.094 156 HB3 ASN 28 3HB ASN 28 18.656 10.675 -12.976 157 HD21 ASN 28 1HD2 ASN 28 18.543 10.666 -15.264 158 HD22 ASN 28 2HD2 ASN 28 19.812 11.355 -16.212 159 H ASN 29 H ASN 29 20.505 12.097 -9.592 160 HA ASN 29 HA ASN 29 20.150 14.742 -10.766 161 HB2 ASN 29 2HB ASN 29 18.269 13.535 -8.732 162 HB3 ASN 29 3HB ASN 29 18.359 15.263 -9.063 163 HD21 ASN 29 1HD2 ASN 29 17.139 12.245 -10.062 164 HD22 ASN 29 2HD2 ASN 29 16.312 12.786 -11.479 165 H GLY 30 H GLY 30 20.374 12.959 -7.685 166 HA2 GLY 30 2HA GLY 30 22.799 13.995 -6.856 167 HA3 GLY 30 3HA GLY 30 21.582 15.125 -6.281 168 H VAL 31 H VAL 31 22.600 14.389 -4.195 169 HA VAL 31 HA VAL 31 21.847 11.753 -3.270 170 HB VAL 31 HB VAL 31 23.068 14.061 -1.748 171 HG11 VAL 31 1HG1 VAL 31 21.977 11.556 -0.877 172 HG12 VAL 31 2HG1 VAL 31 23.712 11.602 -0.562 173 HG13 VAL 31 3HG1 VAL 31 22.664 12.867 0.080 174 HG21 VAL 31 1HG2 VAL 31 24.822 13.557 -3.074 175 HG22 VAL 31 2HG2 VAL 31 25.024 12.212 -1.952 176 HG23 VAL 31 3HG2 VAL 31 24.190 11.963 -3.486 177 H VAL 32 H VAL 32 20.893 15.107 -2.650 178 HA VAL 32 HA VAL 32 19.114 14.716 -0.562 179 HB VAL 32 HB VAL 32 18.802 16.689 -2.829 180 HG11 VAL 32 1HG1 VAL 32 17.616 18.035 -1.097 181 HG12 VAL 32 2HG1 VAL 32 16.774 16.555 -1.562 182 HG13 VAL 32 3HG1 VAL 32 17.663 16.624 -0.040 183 HG21 VAL 32 1HG2 VAL 32 20.911 17.161 -2.002 184 HG22 VAL 32 2HG2 VAL 32 19.886 18.209 -1.021 185 HG23 VAL 32 3HG2 VAL 32 20.485 16.689 -0.357 186 H THR 33 H THR 33 18.378 14.766 -4.050 187 HA THR 33 HA THR 33 15.665 14.191 -3.880 188 HB THR 33 HB THR 33 17.064 12.911 -6.140 189 HG1 THR 33 HG1 THR 33 18.187 14.608 -6.742 190 HG21 THR 33 1HG2 THR 33 15.453 14.497 -7.354 191 HG22 THR 33 2HG2 THR 33 14.793 14.842 -5.755 192 HG23 THR 33 3HG2 THR 33 14.749 13.198 -6.392 193 H ARG 34 H RSS 34 18.402 11.944 -4.212 194 HB2 ARG 34 2HB RSS 34 19.393 9.573 -4.685 195 HB3 ARG 34 3HB RSS 34 19.658 10.196 -3.062 196 HG2 ARG 34 2HG RSS 34 18.200 7.686 -3.060 197 HG3 ARG 34 3HG RSS 34 19.778 7.559 -3.840 198 HD2 ARG 34 2HD RSS 34 20.779 8.652 -1.837 199 HD3 ARG 34 3HD RSS 34 19.197 8.574 -1.062 200 HE ARG 34 HE RSS 34 20.026 6.018 -1.989 201 HH11 ARG 34 1HH2 RSS 34 20.654 4.448 -0.458 202 HH12 ARG 34 2HH2 RSS 34 21.071 4.942 1.147 203 HH21 ARG 34 1HH1 RSS 34 20.511 8.343 0.556 204 HH22 ARG 34 2HH1 RSS 34 20.989 7.158 1.726 205 H ASN 35 H ASN 35 17.564 11.594 -1.605 206 HA ASN 35 HA ASN 35 16.672 9.601 0.287 207 HB2 ASN 35 2HB ASN 35 17.284 12.548 0.595 208 HB3 ASN 35 3HB ASN 35 16.829 11.488 1.926 209 HD21 ASN 35 1HD2 ASN 35 19.360 12.960 0.682 210 HD22 ASN 35 2HD2 ASN 35 20.614 11.820 1.019 211 H ALA 36 H ALA 36 15.386 12.557 -1.178 212 HA ALA 36 HA ALA 36 12.999 12.746 0.240 213 HB1 ALA 36 1HB ALA 36 12.649 14.489 -1.096 214 HB2 ALA 36 2HB ALA 36 14.175 14.087 -1.884 215 HB3 ALA 36 3HB ALA 36 12.656 13.474 -2.538 216 H ASN 37 H ASN 37 13.821 10.804 -2.587 217 HA ASN 37 HA ASN 37 11.203 9.916 -3.167 218 HB2 ASN 37 2HB ASN 37 13.924 8.769 -3.796 219 HB3 ASN 37 3HB ASN 37 12.428 8.033 -4.363 220 HD21 ASN 37 1HD2 ASN 37 11.435 8.848 -6.110 221 HD22 ASN 37 2HD2 ASN 37 11.975 10.236 -6.986 222 H ALA 38 H ALA 38 13.880 8.251 -1.497 223 HA ALA 38 HA ALA 38 12.489 5.971 -0.735 224 HB1 ALA 38 1HB ALA 38 14.805 7.383 0.566 225 HB2 ALA 38 2HB ALA 38 14.195 5.820 1.111 226 HB3 ALA 38 3HB ALA 38 14.849 5.993 -0.518 227 H ASN 39 H ASN 39 12.363 9.186 0.547 228 HA ASN 39 HA ASN 39 11.273 8.529 3.093 229 HB2 ASN 39 2HB ASN 39 11.578 11.025 1.481 230 HB3 ASN 39 3HB ASN 39 10.453 11.037 2.836 231 HD21 ASN 39 1HD2 ASN 39 13.384 11.971 2.064 232 HD22 ASN 39 2HD2 ASN 39 14.224 11.733 3.555 233 H VAL 40 H VAL 40 9.918 9.149 -0.077 234 HA VAL 40 HA VAL 40 7.204 9.327 0.844 235 HB VAL 40 HB VAL 40 8.222 8.844 -1.959 236 HG11 VAL 40 1HG1 VAL 40 6.057 8.477 -2.376 237 HG12 VAL 40 2HG1 VAL 40 5.561 9.082 -0.794 238 HG13 VAL 40 3HG1 VAL 40 5.843 10.209 -2.121 239 HG21 VAL 40 1HG2 VAL 40 9.088 10.906 -1.674 240 HG22 VAL 40 2HG2 VAL 40 7.421 11.424 -1.928 241 HG23 VAL 40 3HG2 VAL 40 8.054 11.264 -0.290 242 H ALA 41 H ALA 41 9.334 6.800 -0.265 243 HA ALA 41 HA ALA 41 7.199 4.871 -0.586 244 HB1 ALA 41 1HB ALA 41 8.728 3.527 -1.583 245 HB2 ALA 41 2HB ALA 41 9.579 5.060 -1.779 246 HB3 ALA 41 3HB ALA 41 10.015 3.972 -0.462 247 H LYS 42 H KSS 42 9.994 5.265 1.590 248 HB2 LYS 42 2HB KSS 42 10.945 4.182 4.850 249 HB3 LYS 42 3HB KSS 42 11.523 4.693 3.270 250 HG2 LYS 42 2HG KSS 42 10.262 6.799 3.526 251 HG3 LYS 42 3HG KSS 42 9.792 6.287 5.149 252 HD2 LYS 42 2HD KSS 42 12.428 5.970 5.374 253 HD3 LYS 42 3HD KSS 42 12.418 7.221 4.129 254 HE2 LYS 42 2HE KSS 42 11.085 8.663 5.552 255 HE3 LYS 42 3HE KSS 42 10.983 7.400 6.778 256 HZ1 LYS 42 1HZ KSS 42 12.764 9.312 6.907 257 HZ2 LYS 42 2HZ KSS 42 13.645 8.255 5.924 258 HZ3 LYS 42 3HZ KSS 42 13.111 7.746 7.446 259 H THR 43 H THR 43 7.934 6.203 3.166 260 HA THR 43 HA THR 43 6.514 5.714 5.649 261 HB THR 43 HB THR 43 6.164 7.950 3.642 262 HG1 THR 43 HG1 THR 43 7.915 8.704 4.542 263 HG21 THR 43 1HG2 THR 43 5.150 9.081 5.696 264 HG22 THR 43 2HG2 THR 43 5.041 7.463 6.390 265 HG23 THR 43 3HG2 THR 43 4.177 7.844 4.901 266 H ALA 44 H ALA 44 5.945 5.538 2.198 267 HA ALA 44 HA ALA 44 3.106 5.174 2.428 268 HB1 ALA 44 1HB ALA 44 3.273 4.548 0.010 269 HB2 ALA 44 2HB ALA 44 3.927 6.138 0.408 270 HB3 ALA 44 3HB ALA 44 5.017 4.779 0.134 Start of MODEL 9 1 H1 TRP 1 H TRP 1 1.195 -1.372 -0.420 2 HA TRP 1 HA TRP 1 2.197 -0.612 -2.404 3 HB2 TRP 1 2HB TRP 1 -0.210 -0.013 -2.357 4 HB3 TRP 1 3HB TRP 1 0.216 1.559 -1.685 5 HD1 TRP 1 HD1 TRP 1 0.591 3.435 -3.393 6 HE1 TRP 1 HE1 TRP 1 0.946 3.557 -5.939 7 HE3 TRP 1 HE3 TRP 1 0.939 -1.564 -4.404 8 HZ2 TRP 1 HZ2 TRP 1 1.323 1.770 -8.092 9 HZ3 TRP 1 HZ3 TRP 1 1.296 -2.275 -6.732 10 HH2 TRP 1 HH2 TRP 1 1.483 -0.641 -8.537 11 H GLY 2 H GLY 2 4.302 -0.137 -1.230 12 HA2 GLY 2 2HA GLY 2 4.814 2.771 -1.190 13 HA3 GLY 2 3HA GLY 2 5.715 1.592 -0.248 14 H CYS 3 H CYS 3 5.287 3.060 -3.368 15 HA CYS 3 HA CYS 3 7.958 2.239 -4.127 16 HB2 CYS 3 2HB CYS 3 5.755 0.754 -5.052 17 HB3 CYS 3 3HB CYS 3 6.251 1.767 -6.404 18 H VAL 4 H VAL 4 8.873 4.084 -4.715 19 HA VAL 4 HA VAL 4 7.281 6.006 -6.287 20 HB VAL 4 HB VAL 4 7.850 6.827 -4.013 21 HG11 VAL 4 1HG1 VAL 4 10.594 7.469 -4.449 22 HG12 VAL 4 2HG1 VAL 4 9.871 6.526 -3.145 23 HG13 VAL 4 3HG1 VAL 4 10.378 5.729 -4.636 24 HG21 VAL 4 1HG2 VAL 4 9.480 8.545 -5.779 25 HG22 VAL 4 2HG2 VAL 4 7.842 8.189 -6.327 26 HG23 VAL 4 3HG2 VAL 4 8.101 8.951 -4.758 27 H CYS 5 H CYS 5 8.323 7.120 -7.968 28 HA CYS 5 HA CYS 5 11.016 6.230 -8.695 29 HB2 CYS 5 2HB CYS 5 8.713 6.217 -10.653 30 HB3 CYS 5 3HB CYS 5 10.370 5.711 -10.965 31 H SER 6 H SER 6 12.193 7.691 -9.920 32 HA SER 6 HA SER 6 11.190 10.417 -9.845 33 HB2 SER 6 2HB SER 6 13.440 10.065 -9.026 34 HB3 SER 6 3HB SER 6 13.910 9.283 -10.535 35 HG SER 6 HG SER 6 12.939 11.935 -10.476 36 H GLY 7 H GLY 7 9.565 9.874 -11.541 37 HA2 GLY 7 2HA GLY 7 10.225 11.018 -13.989 38 HA3 GLY 7 3HA GLY 7 10.357 9.278 -14.196 39 H SER 8 H SER 8 8.490 7.982 -14.008 40 HA SER 8 HA SER 8 5.942 9.453 -13.999 41 HB2 SER 8 2HB SER 8 6.623 7.197 -15.899 42 HB3 SER 8 3HB SER 8 5.123 8.124 -15.858 43 HG SER 8 HG SER 8 7.685 9.241 -16.354 44 H THR 9 H THR 9 4.055 7.813 -13.882 45 HA THR 9 HA THR 9 4.462 6.255 -11.506 46 HB THR 9 HB THR 9 1.958 6.196 -13.173 47 HG1 THR 9 HG1 THR 9 1.450 8.050 -11.608 48 HG21 THR 9 1HG2 THR 9 2.739 5.528 -10.403 49 HG22 THR 9 2HG2 THR 9 1.499 4.816 -11.435 50 HG23 THR 9 3HG2 THR 9 1.184 6.335 -10.596 51 H ALA 10 H ALA 10 4.067 5.601 -14.927 52 HA ALA 10 HA ALA 10 3.511 2.864 -14.821 53 HB1 ALA 10 1HB ALA 10 4.962 4.495 -16.896 54 HB2 ALA 10 2HB ALA 10 4.510 2.804 -17.118 55 HB3 ALA 10 3HB ALA 10 3.261 4.026 -16.885 56 H VAL 11 H VAL 11 6.569 4.606 -14.658 57 HA VAL 11 HA VAL 11 8.141 2.181 -14.690 58 HB VAL 11 HB VAL 11 9.097 4.172 -15.687 59 HG11 VAL 11 1HG1 VAL 11 9.759 6.087 -14.227 60 HG12 VAL 11 2HG1 VAL 11 8.017 5.906 -14.442 61 HG13 VAL 11 3HG1 VAL 11 8.782 5.377 -12.943 62 HG21 VAL 11 1HG2 VAL 11 10.367 2.507 -13.873 63 HG22 VAL 11 2HG2 VAL 11 11.146 3.553 -15.061 64 HG23 VAL 11 3HG2 VAL 11 10.894 4.126 -13.412 65 H ALA 12 H ALS 12 6.779 4.349 -12.330 66 HB1 ALA 12 1HB ALS 12 5.476 4.523 -10.115 67 HB2 ALA 12 2HB ALS 12 6.597 4.605 -8.756 68 HB3 ALA 12 3HB ALS 12 6.863 5.611 -10.180 69 H ASN 13 H ASN 13 5.262 2.348 -11.251 70 HA ASN 13 HA ASN 13 5.192 0.338 -9.198 71 HB2 ASN 13 2HB ASN 13 3.114 -0.297 -10.081 72 HB3 ASN 13 3HB ASN 13 3.187 1.433 -10.402 73 HD21 ASN 13 1HD2 ASN 13 3.738 2.123 -12.540 74 HD22 ASN 13 2HD2 ASN 13 3.385 1.108 -13.894 75 H SER 14 H SER 14 6.382 0.583 -12.446 76 HA SER 14 HA SER 14 6.436 -2.047 -13.280 77 HB2 SER 14 2HB SER 14 8.077 0.360 -13.837 78 HB3 SER 14 3HB SER 14 8.788 -1.191 -14.284 79 HG SER 14 HG SER 14 7.584 -0.998 -15.993 80 H HIS 15 H HIS 15 8.413 -0.451 -10.891 81 HA HIS 15 HA HIS 15 10.073 -2.852 -10.597 82 HB2 HIS 15 2HB HIS 15 10.557 -0.024 -10.286 83 HB3 HIS 15 3HB HIS 15 10.958 -0.879 -8.799 84 HD1 HIS 15 HD1 HIS 15 11.810 -0.919 -12.489 85 HD2 HIS 15 HD2 HIS 15 13.347 -2.201 -8.848 86 HE1 HIS 15 HE1 HIS 15 14.120 -1.772 -12.997 87 H ASN 16 H NSS 16 8.493 -0.473 -8.453 88 HB2 ASN 16 2HB NSS 16 6.166 -2.257 -8.046 89 HB3 ASN 16 3HB NSS 16 6.695 -3.465 -6.879 90 HD21 ASN 16 1HD2 NSS 16 4.805 -0.597 -7.383 91 HD22 ASN 16 2HD2 NSS 16 3.917 -0.678 -5.903 92 H ALA 17 H ALA 17 7.222 -2.726 -4.613 93 HA ALA 17 HA ALA 17 9.510 -4.400 -4.332 94 HB1 ALA 17 1HB ALA 17 9.614 -1.712 -3.193 95 HB2 ALA 17 2HB ALA 17 9.944 -2.994 -2.027 96 HB3 ALA 17 3HB ALA 17 10.911 -2.869 -3.496 97 H GLY 18 H GLY 18 7.145 -2.603 -2.347 98 HA2 GLY 18 2HA GLY 18 5.364 -4.486 -1.697 99 HA3 GLY 18 3HA GLY 18 6.722 -4.950 -0.683 100 HA PRO 19 HA PRO 19 4.005 -1.603 1.307 101 HB2 PRO 19 2HB PRO 19 2.841 -3.152 3.208 102 HB3 PRO 19 3HB PRO 19 2.131 -2.898 1.610 103 HG2 PRO 19 2HG PRO 19 3.735 -5.213 2.623 104 HG3 PRO 19 3HG PRO 19 2.268 -5.219 1.628 105 HD2 PRO 19 2HD PRO 19 4.740 -5.569 0.580 106 HD3 PRO 19 3HD PRO 19 3.430 -4.768 -0.311 107 H ALA 20 H ALA 20 5.971 -4.250 2.522 108 HA ALA 20 HA ALA 20 6.721 -2.650 4.866 109 HB1 ALA 20 1HB ALA 20 6.725 -5.556 4.258 110 HB2 ALA 20 2HB ALA 20 7.946 -4.942 5.373 111 HB3 ALA 20 3HB ALA 20 6.234 -4.705 5.723 112 H TYR 21 H TYR 21 7.653 -2.249 2.041 113 HA TYR 21 HA TYR 21 10.524 -2.265 2.647 114 HB2 TYR 21 2HB TYR 21 9.254 -3.194 0.067 115 HB3 TYR 21 3HB TYR 21 10.969 -2.839 0.241 116 HD1 TYR 21 HD1 TYR 21 12.422 -4.314 1.521 117 HD2 TYR 21 HD2 TYR 21 8.280 -5.176 1.073 118 HE1 TYR 21 HE1 TYR 21 12.822 -6.610 2.306 119 HE2 TYR 21 HE2 TYR 21 8.668 -7.474 1.859 120 HH TYR 21 HH TYR 21 11.905 -8.705 2.412 121 H CYS 22 H CYS 22 11.660 -0.507 1.915 122 HA CYS 22 HA CYS 22 10.070 1.598 0.600 123 HB2 CYS 22 2HB CYS 22 12.302 1.873 2.623 124 HB3 CYS 22 3HB CYS 22 11.550 3.222 1.777 125 H VAL 23 H VAL 23 10.707 2.047 -1.393 126 HA VAL 23 HA VAL 23 13.570 1.835 -2.047 127 HB VAL 23 HB VAL 23 11.296 1.014 -3.860 128 HG11 VAL 23 1HG1 VAL 23 12.966 1.838 -5.266 129 HG12 VAL 23 2HG1 VAL 23 14.264 1.210 -4.248 130 HG13 VAL 23 3HG1 VAL 23 13.283 0.104 -5.210 131 HG21 VAL 23 1HG2 VAL 23 13.223 -0.551 -2.181 132 HG22 VAL 23 2HG2 VAL 23 11.473 -0.724 -2.320 133 HG23 VAL 23 3HG2 VAL 23 12.518 -1.245 -3.641 134 H GLY 24 H GLY 24 14.337 3.756 -2.614 135 HA2 GLY 24 2HA GLY 24 12.487 5.687 -3.864 136 HA3 GLY 24 3HA GLY 24 13.881 6.129 -2.890 137 H TYR 25 H TYR 25 12.718 5.527 -6.020 138 HA TYR 25 HA TYR 25 15.191 4.902 -7.291 139 HB2 TYR 25 2HB TYR 25 12.592 4.786 -8.070 140 HB3 TYR 25 3HB TYR 25 13.109 6.253 -8.894 141 HD1 TYR 25 HD1 TYR 25 13.989 2.666 -8.439 142 HD2 TYR 25 HD2 TYR 25 14.295 6.120 -10.905 143 HE1 TYR 25 HE1 TYR 25 15.005 1.301 -10.215 144 HE2 TYR 25 HE2 TYR 25 15.310 4.765 -12.688 145 HH TYR 25 HH TYR 25 15.143 1.560 -12.884 146 H CYS 26 H CYS 26 16.854 6.236 -7.457 147 HA CYS 26 HA CYS 26 16.327 9.094 -7.938 148 HB2 CYS 26 2HB CYS 26 18.516 7.909 -6.218 149 HB3 CYS 26 3HB CYS 26 18.355 9.616 -6.616 150 H GLY 27 H GLY 27 17.028 9.667 -9.880 151 HA2 GLY 27 2HA GLY 27 18.937 8.034 -11.311 152 HA3 GLY 27 3HA GLY 27 18.105 9.454 -11.928 153 H ASN 28 H ASN 28 19.688 10.724 -12.683 154 HA ASN 28 HA ASN 28 22.073 11.143 -11.028 155 HB2 ASN 28 2HB ASN 28 22.231 10.485 -13.496 156 HB3 ASN 28 3HB ASN 28 21.674 12.116 -13.854 157 HD21 ASN 28 1HD2 ASN 28 23.514 12.832 -14.813 158 HD22 ASN 28 2HD2 ASN 28 25.011 13.042 -13.976 159 H ASN 29 H ASN 29 19.606 12.329 -10.244 160 HA ASN 29 HA ASN 29 19.725 15.118 -11.022 161 HB2 ASN 29 2HB ASN 29 17.966 13.645 -9.051 162 HB3 ASN 29 3HB ASN 29 17.819 15.361 -9.418 163 HD21 ASN 29 1HD2 ASN 29 16.715 12.338 -10.157 164 HD22 ASN 29 2HD2 ASN 29 16.001 12.669 -11.695 165 H GLY 30 H GLY 30 20.688 13.091 -8.341 166 HA2 GLY 30 2HA GLY 30 22.721 14.419 -7.298 167 HA3 GLY 30 3HA GLY 30 21.395 15.412 -6.713 168 H VAL 31 H VAL 31 22.283 14.810 -4.593 169 HA VAL 31 HA VAL 31 21.746 12.063 -3.757 170 HB VAL 31 HB VAL 31 22.913 14.326 -2.132 171 HG11 VAL 31 1HG1 VAL 31 23.709 11.689 -1.339 172 HG12 VAL 31 2HG1 VAL 31 22.877 12.932 -0.403 173 HG13 VAL 31 3HG1 VAL 31 21.950 11.795 -1.382 174 HG21 VAL 31 1HG2 VAL 31 25.035 12.830 -2.554 175 HG22 VAL 31 2HG2 VAL 31 24.150 12.372 -4.009 176 HG23 VAL 31 3HG2 VAL 31 24.549 14.064 -3.717 177 H VAL 32 H VAL 32 20.618 15.348 -3.223 178 HA VAL 32 HA VAL 32 18.985 14.973 -1.010 179 HB VAL 32 HB VAL 32 18.473 16.780 -3.378 180 HG11 VAL 32 1HG1 VAL 32 17.415 18.055 -1.242 181 HG12 VAL 32 2HG1 VAL 32 16.488 17.033 -2.342 182 HG13 VAL 32 3HG1 VAL 32 17.081 16.376 -0.817 183 HG21 VAL 32 1HG2 VAL 32 20.014 17.177 -0.822 184 HG22 VAL 32 2HG2 VAL 32 20.614 17.292 -2.476 185 HG23 VAL 32 3HG2 VAL 32 19.494 18.506 -1.858 186 H THR 33 H THR 33 18.115 14.694 -4.453 187 HA THR 33 HA THR 33 15.447 13.973 -4.116 188 HB THR 33 HB THR 33 16.794 12.601 -6.340 189 HG1 THR 33 HG1 THR 33 18.038 14.224 -6.857 190 HG21 THR 33 1HG2 THR 33 14.381 12.921 -6.271 191 HG22 THR 33 2HG2 THR 33 15.073 13.802 -7.633 192 HG23 THR 33 3HG2 THR 33 14.598 14.668 -6.173 193 H ARG 34 H RSS 34 18.332 11.913 -4.334 194 HB2 ARG 34 2HB RSS 34 19.503 9.597 -4.634 195 HB3 ARG 34 3HB RSS 34 19.722 10.359 -3.065 196 HG2 ARG 34 2HG RSS 34 18.475 7.717 -2.943 197 HG3 ARG 34 3HG RSS 34 20.114 7.722 -3.599 198 HD2 ARG 34 2HD RSS 34 19.825 9.408 -1.242 199 HD3 ARG 34 3HD RSS 34 19.430 7.718 -0.929 200 HE ARG 34 HE RSS 34 21.829 7.808 -2.361 201 HH11 ARG 34 1HH2 RSS 34 23.833 7.541 -1.304 202 HH12 ARG 34 2HH2 RSS 34 23.944 7.838 0.397 203 HH21 ARG 34 1HH1 RSS 34 20.574 8.694 0.763 204 HH22 ARG 34 2HH1 RSS 34 22.091 8.493 1.574 205 H ASN 35 H ASN 35 17.529 11.698 -1.702 206 HA ASN 35 HA ASN 35 16.807 9.795 0.346 207 HB2 ASN 35 2HB ASN 35 17.209 12.790 0.386 208 HB3 ASN 35 3HB ASN 35 16.761 11.855 1.809 209 HD21 ASN 35 1HD2 ASN 35 19.280 13.171 0.172 210 HD22 ASN 35 2HD2 ASN 35 20.568 12.200 0.792 211 H ALA 36 H ALA 36 15.283 12.614 -1.194 212 HA ALA 36 HA ALA 36 12.883 12.635 0.184 213 HB1 ALA 36 1HB ALA 36 13.899 14.124 -1.800 214 HB2 ALA 36 2HB ALA 36 12.720 13.183 -2.714 215 HB3 ALA 36 3HB ALA 36 12.196 14.157 -1.340 216 H ASN 37 H ASN 37 13.695 10.848 -2.784 217 HA ASN 37 HA ASN 37 11.238 9.673 -3.275 218 HB2 ASN 37 2HB ASN 37 14.048 8.699 -3.773 219 HB3 ASN 37 3HB ASN 37 12.637 7.785 -4.298 220 HD21 ASN 37 1HD2 ASN 37 11.626 8.353 -6.125 221 HD22 ASN 37 2HD2 ASN 37 12.042 9.720 -7.096 222 H ALA 38 H ALA 38 13.955 8.205 -1.485 223 HA ALA 38 HA ALA 38 12.618 5.923 -0.620 224 HB1 ALA 38 1HB ALA 38 14.932 5.893 -0.361 225 HB2 ALA 38 2HB ALA 38 14.955 7.444 0.478 226 HB3 ALA 38 3HB ALA 38 14.332 6.010 1.293 227 H ASN 39 H ASN 39 12.430 9.192 0.514 228 HA ASN 39 HA ASN 39 11.364 8.633 3.093 229 HB2 ASN 39 2HB ASN 39 12.199 10.916 1.694 230 HB3 ASN 39 3HB ASN 39 10.490 11.177 2.027 231 HD21 ASN 39 1HD2 ASN 39 12.873 12.491 3.111 232 HD22 ASN 39 2HD2 ASN 39 12.769 12.309 4.827 233 H VAL 40 H VAL 40 9.985 9.043 -0.097 234 HA VAL 40 HA VAL 40 7.269 9.215 0.826 235 HB VAL 40 HB VAL 40 8.322 8.633 -1.946 236 HG11 VAL 40 1HG1 VAL 40 5.601 8.975 -0.823 237 HG12 VAL 40 2HG1 VAL 40 5.934 9.727 -2.384 238 HG13 VAL 40 3HG1 VAL 40 6.154 7.989 -2.176 239 HG21 VAL 40 1HG2 VAL 40 7.554 11.204 -0.580 240 HG22 VAL 40 2HG2 VAL 40 9.113 10.775 -1.284 241 HG23 VAL 40 3HG2 VAL 40 7.719 11.046 -2.329 242 H ALA 41 H ALA 41 9.452 6.679 -0.157 243 HA ALA 41 HA ALA 41 7.359 4.688 -0.356 244 HB1 ALA 41 1HB ALA 41 10.015 4.920 -1.280 245 HB2 ALA 41 2HB ALA 41 9.957 3.515 -0.214 246 HB3 ALA 41 3HB ALA 41 8.861 3.622 -1.591 247 H LYS 42 H KSS 42 10.156 5.273 1.773 248 HB2 LYS 42 2HB KSS 42 11.155 4.397 5.081 249 HB3 LYS 42 3HB KSS 42 11.711 4.837 3.472 250 HG2 LYS 42 2HG KSS 42 10.401 6.918 3.617 251 HG3 LYS 42 3HG KSS 42 9.933 6.481 5.262 252 HD2 LYS 42 2HD KSS 42 12.815 6.673 4.435 253 HD3 LYS 42 3HD KSS 42 11.906 8.088 4.971 254 HE2 LYS 42 2HE KSS 42 11.494 5.902 6.786 255 HE3 LYS 42 3HE KSS 42 13.220 6.179 6.559 256 HZ1 LYS 42 1HZ KSS 42 13.087 8.287 7.420 257 HZ2 LYS 42 2HZ KSS 42 11.928 7.491 8.360 258 HZ3 LYS 42 3HZ KSS 42 11.442 8.466 7.065 259 H THR 43 H THR 43 8.080 6.235 3.315 260 HA THR 43 HA THR 43 6.673 5.808 5.822 261 HB THR 43 HB THR 43 6.105 7.962 3.787 262 HG1 THR 43 HG1 THR 43 8.101 7.809 5.797 263 HG21 THR 43 1HG2 THR 43 5.464 7.527 6.684 264 HG22 THR 43 2HG2 THR 43 4.389 7.981 5.361 265 HG23 THR 43 3HG2 THR 43 5.530 9.157 6.014 266 H ALA 44 H ALA 44 6.146 5.455 2.390 267 HA ALA 44 HA ALA 44 3.318 5.194 2.486 268 HB1 ALA 44 1HB ALA 44 3.596 4.171 0.222 269 HB2 ALA 44 2HB ALA 44 4.342 5.759 0.407 270 HB3 ALA 44 3HB ALA 44 5.341 4.306 0.439 Start of MODEL 10 1 H1 TRP 1 H TRP 1 1.621 0.117 0.742 2 HA TRP 1 HA TRP 1 3.079 -0.704 -1.635 3 HB2 TRP 1 2HB TRP 1 0.677 1.058 -1.177 4 HB3 TRP 1 3HB TRP 1 1.458 0.934 -2.751 5 HD1 TRP 1 HD1 TRP 1 -0.850 -0.941 -0.404 6 HE1 TRP 1 HE1 TRP 1 -1.738 -3.044 -1.593 7 HE3 TRP 1 HE3 TRP 1 2.145 -0.858 -4.547 8 HZ2 TRP 1 HZ2 TRP 1 -1.236 -4.478 -3.971 9 HZ3 TRP 1 HZ3 TRP 1 1.878 -2.632 -6.231 10 HH2 TRP 1 HH2 TRP 1 0.222 -4.404 -5.947 11 H GLY 2 H GLY 2 5.089 0.251 -0.634 12 HA2 GLY 2 2HA GLY 2 5.210 3.170 -1.014 13 HA3 GLY 2 3HA GLY 2 6.340 2.226 -0.055 14 H CYS 3 H CYS 3 5.427 3.227 -3.266 15 HA CYS 3 HA CYS 3 8.116 2.571 -4.193 16 HB2 CYS 3 2HB CYS 3 5.982 0.921 -4.829 17 HB3 CYS 3 3HB CYS 3 6.119 1.972 -6.236 18 H VAL 4 H VAL 4 8.913 4.421 -4.918 19 HA VAL 4 HA VAL 4 7.143 6.210 -6.454 20 HB VAL 4 HB VAL 4 7.710 7.157 -4.236 21 HG11 VAL 4 1HG1 VAL 4 10.041 7.923 -3.856 22 HG12 VAL 4 2HG1 VAL 4 9.870 6.166 -3.866 23 HG13 VAL 4 3HG1 VAL 4 10.537 6.996 -5.272 24 HG21 VAL 4 1HG2 VAL 4 8.110 9.317 -5.016 25 HG22 VAL 4 2HG2 VAL 4 9.145 8.756 -6.328 26 HG23 VAL 4 3HG2 VAL 4 7.402 8.501 -6.410 27 H CYS 5 H CYS 5 8.051 7.307 -8.213 28 HA CYS 5 HA CYS 5 10.771 6.541 -8.996 29 HB2 CYS 5 2HB CYS 5 8.426 6.420 -10.898 30 HB3 CYS 5 3HB CYS 5 10.088 5.936 -11.223 31 H SER 6 H SER 6 11.874 8.054 -10.192 32 HA SER 6 HA SER 6 10.757 10.728 -10.154 33 HB2 SER 6 2HB SER 6 13.089 10.305 -9.416 34 HB3 SER 6 3HB SER 6 13.494 9.798 -11.055 35 HG SER 6 HG SER 6 12.340 12.322 -10.568 36 H GLY 7 H GLY 7 9.104 10.138 -11.791 37 HA2 GLY 7 2HA GLY 7 9.634 11.270 -14.266 38 HA3 GLY 7 3HA GLY 7 9.851 9.538 -14.467 39 H SER 8 H SER 8 8.072 8.166 -14.352 40 HA SER 8 HA SER 8 5.447 9.493 -14.220 41 HB2 SER 8 2HB SER 8 6.588 8.455 -16.530 42 HB3 SER 8 3HB SER 8 5.498 7.177 -15.993 43 HG SER 8 HG SER 8 4.539 8.815 -17.380 44 H THR 9 H THR 9 3.677 7.646 -14.195 45 HA THR 9 HA THR 9 4.177 6.157 -11.786 46 HB THR 9 HB THR 9 1.723 6.024 -13.543 47 HG1 THR 9 HG1 THR 9 1.084 7.866 -12.667 48 HG21 THR 9 1HG2 THR 9 2.419 4.516 -11.347 49 HG22 THR 9 2HG2 THR 9 0.777 4.781 -11.934 50 HG23 THR 9 3HG2 THR 9 1.429 5.798 -10.649 51 H ALA 10 H ALA 10 3.707 5.410 -15.203 52 HA ALA 10 HA ALA 10 3.445 2.658 -15.089 53 HB1 ALA 10 1HB ALA 10 4.443 4.575 -17.114 54 HB2 ALA 10 2HB ALA 10 4.821 2.869 -17.358 55 HB3 ALA 10 3HB ALA 10 3.142 3.389 -17.217 56 H VAL 11 H VAL 11 6.355 4.633 -14.892 57 HA VAL 11 HA VAL 11 8.110 2.335 -14.887 58 HB VAL 11 HB VAL 11 8.920 4.390 -15.887 59 HG11 VAL 11 1HG1 VAL 11 7.697 6.040 -14.658 60 HG12 VAL 11 2HG1 VAL 11 8.492 5.581 -13.152 61 HG13 VAL 11 3HG1 VAL 11 9.417 6.358 -14.437 62 HG21 VAL 11 1HG2 VAL 11 10.367 3.740 -13.321 63 HG22 VAL 11 2HG2 VAL 11 10.564 2.913 -14.866 64 HG23 VAL 11 3HG2 VAL 11 11.057 4.598 -14.698 65 H ALA 12 H ALS 12 6.561 4.417 -12.562 66 HB1 ALA 12 1HB ALS 12 5.227 4.535 -10.374 67 HB2 ALA 12 2HB ALS 12 6.313 4.685 -8.992 68 HB3 ALA 12 3HB ALS 12 6.548 5.704 -10.413 69 H ASN 13 H ASN 13 5.108 2.378 -11.402 70 HA ASN 13 HA ASN 13 5.134 0.386 -9.356 71 HB2 ASN 13 2HB ASN 13 3.139 -0.403 -10.292 72 HB3 ASN 13 3HB ASN 13 3.112 1.316 -10.675 73 HD21 ASN 13 1HD2 ASN 13 3.672 1.970 -12.813 74 HD22 ASN 13 2HD2 ASN 13 3.454 0.885 -14.140 75 H SER 14 H SER 14 6.452 0.646 -12.549 76 HA SER 14 HA SER 14 6.714 -1.993 -13.322 77 HB2 SER 14 2HB SER 14 8.069 0.530 -13.939 78 HB3 SER 14 3HB SER 14 9.104 -0.884 -14.138 79 HG SER 14 HG SER 14 7.815 -1.634 -15.695 80 H HIS 15 H HIS 15 8.756 -0.117 -11.128 81 HA HIS 15 HA HIS 15 10.454 -2.433 -10.631 82 HB2 HIS 15 2HB HIS 15 11.028 0.223 -10.740 83 HB3 HIS 15 3HB HIS 15 10.838 0.000 -9.004 84 HD1 HIS 15 HD1 HIS 15 12.417 -1.918 -7.937 85 HD2 HIS 15 HD2 HIS 15 13.440 -0.566 -11.730 86 HE1 HIS 15 HE1 HIS 15 14.800 -2.640 -8.288 87 H ASN 16 H NSS 16 8.684 -0.103 -8.583 88 HB2 ASN 16 2HB NSS 16 6.457 -2.012 -8.177 89 HB3 ASN 16 3HB NSS 16 7.032 -3.159 -6.971 90 HD21 ASN 16 1HD2 NSS 16 5.184 -0.206 -7.430 91 HD22 ASN 16 2HD2 NSS 16 4.195 -0.388 -6.025 92 H ALA 17 H ALA 17 7.467 -2.338 -4.714 93 HA ALA 17 HA ALA 17 9.948 -3.755 -4.354 94 HB1 ALA 17 1HB ALA 17 9.635 -2.211 -1.962 95 HB2 ALA 17 2HB ALA 17 11.033 -2.342 -3.031 96 HB3 ALA 17 3HB ALA 17 9.787 -1.136 -3.352 97 H GLY 18 H GLY 18 7.406 -2.428 -2.221 98 HA2 GLY 18 2HA GLY 18 5.829 -4.656 -1.935 99 HA3 GLY 18 3HA GLY 18 7.151 -4.903 -0.804 100 HA PRO 19 HA PRO 19 3.713 -2.344 1.133 101 HB2 PRO 19 2HB PRO 19 3.129 -4.086 3.131 102 HB3 PRO 19 3HB PRO 19 2.344 -4.141 1.549 103 HG2 PRO 19 2HG PRO 19 4.610 -5.793 2.596 104 HG3 PRO 19 3HG PRO 19 3.197 -6.301 1.652 105 HD2 PRO 19 2HD PRO 19 5.634 -5.915 0.536 106 HD3 PRO 19 3HD PRO 19 4.122 -5.604 -0.341 107 H ALA 20 H ALA 20 6.264 -4.338 2.580 108 HA ALA 20 HA ALA 20 6.701 -2.230 4.590 109 HB1 ALA 20 1HB ALA 20 7.431 -5.154 4.658 110 HB2 ALA 20 2HB ALA 20 7.892 -3.977 5.888 111 HB3 ALA 20 3HB ALA 20 6.190 -4.345 5.614 112 H TYR 21 H TYR 21 7.687 -2.381 1.759 113 HA TYR 21 HA TYR 21 10.561 -2.160 2.368 114 HB2 TYR 21 2HB TYR 21 9.250 -3.291 -0.107 115 HB3 TYR 21 3HB TYR 21 10.954 -2.860 -0.026 116 HD1 TYR 21 HD1 TYR 21 8.393 -5.005 1.621 117 HD2 TYR 21 HD2 TYR 21 12.513 -4.415 0.742 118 HE1 TYR 21 HE1 TYR 21 8.902 -7.227 2.545 119 HE2 TYR 21 HE2 TYR 21 13.034 -6.636 1.662 120 HH TYR 21 HH TYR 21 10.469 -8.764 2.888 121 H CYS 22 H CYS 22 11.548 -0.327 1.747 122 HA CYS 22 HA CYS 22 9.947 1.610 0.210 123 HB2 CYS 22 2HB CYS 22 12.125 2.113 2.250 124 HB3 CYS 22 3HB CYS 22 11.275 3.362 1.347 125 H VAL 23 H VAL 23 10.754 2.463 -1.621 126 HA VAL 23 HA VAL 23 13.598 2.163 -2.225 127 HB VAL 23 HB VAL 23 11.423 1.192 -4.085 128 HG11 VAL 23 1HG1 VAL 23 13.533 0.359 -5.340 129 HG12 VAL 23 2HG1 VAL 23 13.042 2.046 -5.506 130 HG13 VAL 23 3HG1 VAL 23 14.366 1.614 -4.423 131 HG21 VAL 23 1HG2 VAL 23 11.858 -0.353 -2.236 132 HG22 VAL 23 2HG2 VAL 23 12.410 -1.017 -3.774 133 HG23 VAL 23 3HG2 VAL 23 13.576 -0.345 -2.634 134 H GLY 24 H GLY 24 14.310 4.099 -2.809 135 HA2 GLY 24 2HA GLY 24 12.427 5.950 -4.122 136 HA3 GLY 24 3HA GLY 24 13.828 6.438 -3.180 137 H TYR 25 H TYR 25 12.636 6.059 -6.253 138 HA TYR 25 HA TYR 25 15.034 5.271 -7.603 139 HB2 TYR 25 2HB TYR 25 12.583 5.096 -8.425 140 HB3 TYR 25 3HB TYR 25 12.780 6.779 -8.900 141 HD1 TYR 25 HD1 TYR 25 15.058 7.211 -10.267 142 HD2 TYR 25 HD2 TYR 25 12.980 3.506 -10.041 143 HE1 TYR 25 HE1 TYR 25 16.113 6.498 -12.372 144 HE2 TYR 25 HE2 TYR 25 14.030 2.782 -12.144 145 HH TYR 25 HH TYR 25 15.136 4.393 -14.297 146 H CYS 26 H CYS 26 16.777 6.536 -7.448 147 HA CYS 26 HA CYS 26 16.439 9.415 -7.985 148 HB2 CYS 26 2HB CYS 26 18.493 8.099 -6.193 149 HB3 CYS 26 3HB CYS 26 18.407 9.820 -6.554 150 H GLY 27 H GLY 27 17.057 9.696 -10.039 151 HA2 GLY 27 2HA GLY 27 18.974 8.062 -11.360 152 HA3 GLY 27 3HA GLY 27 18.296 9.563 -11.973 153 H ASN 28 H ASN 28 19.909 10.859 -12.542 154 HA ASN 28 HA ASN 28 22.371 10.873 -10.965 155 HB2 ASN 28 2HB ASN 28 22.030 10.850 -13.650 156 HB3 ASN 28 3HB ASN 28 22.160 12.584 -13.371 157 HD21 ASN 28 1HD2 ASN 28 24.006 11.049 -14.827 158 HD22 ASN 28 2HD2 ASN 28 25.515 11.083 -13.987 159 H ASN 29 H ASN 29 19.827 12.119 -10.073 160 HA ASN 29 HA ASN 29 20.160 14.955 -10.265 161 HB2 ASN 29 2HB ASN 29 18.403 14.953 -8.419 162 HB3 ASN 29 3HB ASN 29 17.936 14.202 -9.942 163 HD21 ASN 29 1HD2 ASN 29 17.004 12.300 -9.802 164 HD22 ASN 29 2HD2 ASN 29 17.137 11.194 -8.481 165 H GLY 30 H GLY 30 21.078 12.464 -7.969 166 HA2 GLY 30 2HA GLY 30 23.227 13.119 -6.797 167 HA3 GLY 30 3HA GLY 30 22.330 14.541 -6.285 168 H VAL 31 H VAL 31 22.916 13.814 -4.117 169 HA VAL 31 HA VAL 31 21.641 11.406 -3.129 170 HB VAL 31 HB VAL 31 23.073 13.532 -1.535 171 HG11 VAL 31 1HG1 VAL 31 22.089 12.292 0.089 172 HG12 VAL 31 2HG1 VAL 31 21.937 10.865 -0.938 173 HG13 VAL 31 3HG1 VAL 31 23.489 11.259 -0.196 174 HG21 VAL 31 1HG2 VAL 31 24.971 11.804 -1.648 175 HG22 VAL 31 2HG2 VAL 31 24.118 11.165 -3.053 176 HG23 VAL 31 3HG2 VAL 31 24.699 12.830 -3.057 177 H VAL 32 H VAL 32 21.054 14.834 -3.189 178 HA VAL 32 HA VAL 32 19.282 15.141 -1.075 179 HB VAL 32 HB VAL 32 19.169 16.499 -3.772 180 HG11 VAL 32 1HG1 VAL 32 17.410 16.636 -1.536 181 HG12 VAL 32 2HG1 VAL 32 18.265 18.173 -1.681 182 HG13 VAL 32 3HG1 VAL 32 17.348 17.540 -3.049 183 HG21 VAL 32 1HG2 VAL 32 20.285 18.344 -2.299 184 HG22 VAL 32 2HG2 VAL 32 20.762 16.977 -1.292 185 HG23 VAL 32 3HG2 VAL 32 21.265 17.046 -2.981 186 H THR 33 H THR 33 18.296 14.778 -4.485 187 HA THR 33 HA THR 33 15.610 14.246 -3.972 188 HB THR 33 HB THR 33 16.677 12.841 -6.319 189 HG1 THR 33 HG1 THR 33 18.207 14.427 -6.401 190 HG21 THR 33 1HG2 THR 33 14.463 14.648 -5.584 191 HG22 THR 33 2HG2 THR 33 14.472 13.234 -6.639 192 HG23 THR 33 3HG2 THR 33 15.047 14.789 -7.241 193 H ARG 34 H RSS 34 18.366 12.057 -4.210 194 HB2 ARG 34 2HB RSS 34 19.467 9.707 -4.510 195 HB3 ARG 34 3HB RSS 34 19.635 10.425 -2.914 196 HG2 ARG 34 2HG RSS 34 18.283 7.844 -2.878 197 HG3 ARG 34 3HG RSS 34 19.927 7.773 -3.515 198 HD2 ARG 34 2HD RSS 34 20.653 9.067 -1.483 199 HD3 ARG 34 3HD RSS 34 19.029 8.823 -0.840 200 HE ARG 34 HE RSS 34 19.842 6.314 -1.449 201 HH11 ARG 34 1HH2 RSS 34 20.939 4.910 -0.025 202 HH12 ARG 34 2HH2 RSS 34 21.903 5.573 1.251 203 HH21 ARG 34 1HH1 RSS 34 21.234 8.902 0.419 204 HH22 ARG 34 2HH1 RSS 34 22.071 7.843 1.505 205 H ASN 35 H ASN 35 17.428 11.814 -1.626 206 HA ASN 35 HA ASN 35 16.531 9.891 0.335 207 HB2 ASN 35 2HB ASN 35 17.066 12.861 0.474 208 HB3 ASN 35 3HB ASN 35 16.501 11.916 1.849 209 HD21 ASN 35 1HD2 ASN 35 19.121 13.309 0.758 210 HD22 ASN 35 2HD2 ASN 35 20.344 12.200 1.269 211 H ALA 36 H ALA 36 15.211 12.831 -1.171 212 HA ALA 36 HA ALA 36 12.754 12.933 0.081 213 HB1 ALA 36 1HB ALA 36 12.629 13.534 -2.781 214 HB2 ALA 36 2HB ALA 36 12.290 14.561 -1.387 215 HB3 ALA 36 3HB ALA 36 13.953 14.329 -1.929 216 H ASN 37 H ASN 37 13.727 10.992 -2.712 217 HA ASN 37 HA ASN 37 11.178 9.970 -3.334 218 HB2 ASN 37 2HB ASN 37 13.970 8.964 -3.863 219 HB3 ASN 37 3HB ASN 37 12.545 8.089 -4.415 220 HD21 ASN 37 1HD2 ASN 37 11.849 8.556 -6.366 221 HD22 ASN 37 2HD2 ASN 37 12.169 10.011 -7.240 222 H ALA 38 H ALA 38 13.868 8.400 -1.592 223 HA ALA 38 HA ALA 38 12.497 6.115 -0.798 224 HB1 ALA 38 1HB ALA 38 14.208 5.931 0.986 225 HB2 ALA 38 2HB ALA 38 14.890 6.253 -0.608 226 HB3 ALA 38 3HB ALA 38 14.762 7.554 0.575 227 H ASN 39 H ASN 39 12.341 9.349 0.429 228 HA ASN 39 HA ASN 39 11.255 8.725 2.986 229 HB2 ASN 39 2HB ASN 39 11.875 11.117 1.451 230 HB3 ASN 39 3HB ASN 39 10.361 11.281 2.336 231 HD21 ASN 39 1HD2 ASN 39 13.040 12.517 2.684 232 HD22 ASN 39 2HD2 ASN 39 13.462 12.212 4.332 233 H VAL 40 H VAL 40 9.898 9.288 -0.194 234 HA VAL 40 HA VAL 40 7.181 9.450 0.727 235 HB VAL 40 HB VAL 40 8.209 8.964 -2.072 236 HG11 VAL 40 1HG1 VAL 40 5.993 8.395 -2.229 237 HG12 VAL 40 2HG1 VAL 40 5.510 9.473 -0.918 238 HG13 VAL 40 3HG1 VAL 40 5.896 10.134 -2.507 239 HG21 VAL 40 1HG2 VAL 40 8.073 11.365 -0.407 240 HG22 VAL 40 2HG2 VAL 40 9.006 11.051 -1.870 241 HG23 VAL 40 3HG2 VAL 40 7.317 11.545 -1.990 242 H ALA 41 H ALA 41 9.337 6.938 -0.367 243 HA ALA 41 HA ALA 41 7.224 4.984 -0.677 244 HB1 ALA 41 1HB ALA 41 9.924 3.918 -0.534 245 HB2 ALA 41 2HB ALA 41 8.730 3.810 -1.828 246 HB3 ALA 41 3HB ALA 41 9.770 5.229 -1.704 247 H LYS 42 H KSS 42 10.002 5.437 1.509 248 HB2 LYS 42 2HB KSS 42 10.949 4.405 4.786 249 HB3 LYS 42 3HB KSS 42 11.528 4.920 3.208 250 HG2 LYS 42 2HG KSS 42 10.233 6.998 3.433 251 HG3 LYS 42 3HG KSS 42 9.723 6.484 5.043 252 HD2 LYS 42 2HD KSS 42 12.599 6.843 4.207 253 HD3 LYS 42 3HD KSS 42 11.645 8.075 5.037 254 HE2 LYS 42 2HE KSS 42 11.222 5.972 6.665 255 HE3 LYS 42 3HE KSS 42 12.829 5.572 6.062 256 HZ1 LYS 42 1HZ KSS 42 13.086 8.178 6.656 257 HZ2 LYS 42 2HZ KSS 42 13.509 6.915 7.698 258 HZ3 LYS 42 3HZ KSS 42 12.007 7.677 7.859 259 H THR 43 H THR 43 7.898 6.332 3.061 260 HA THR 43 HA THR 43 6.478 5.834 5.539 261 HB THR 43 HB THR 43 5.246 7.927 4.980 262 HG1 THR 43 HG1 THR 43 5.389 7.860 2.716 263 HG21 THR 43 1HG2 THR 43 8.260 7.986 4.960 264 HG22 THR 43 2HG2 THR 43 7.182 8.165 6.344 265 HG23 THR 43 3HG2 THR 43 7.266 9.433 5.122 266 H ALA 44 H ALA 44 5.809 5.828 2.067 267 HA ALA 44 HA ALA 44 3.034 5.153 2.420 268 HB1 ALA 44 1HB ALA 44 4.756 5.139 -0.056 269 HB2 ALA 44 2HB ALA 44 3.003 4.941 -0.025 270 HB3 ALA 44 3HB ALA 44 3.728 6.462 0.496 Start of MODEL 11 1 H1 TRP 1 H TRP 1 0.666 1.039 -0.283 2 HA TRP 1 HA TRP 1 2.912 -0.577 -1.241 3 HB2 TRP 1 2HB TRP 1 0.512 0.539 -2.449 4 HB3 TRP 1 3HB TRP 1 1.955 0.915 -3.387 5 HD1 TRP 1 HD1 TRP 1 1.431 -2.397 -1.488 6 HE1 TRP 1 HE1 TRP 1 1.414 -4.315 -3.205 7 HE3 TRP 1 HE3 TRP 1 1.602 0.361 -5.789 8 HZ2 TRP 1 HZ2 TRP 1 1.467 -4.619 -6.010 9 HZ3 TRP 1 HZ3 TRP 1 1.617 -0.820 -7.948 10 HH2 TRP 1 HH2 TRP 1 1.551 -3.259 -8.054 11 H GLY 2 H GLY 2 4.797 0.378 -0.708 12 HA2 GLY 2 2HA GLY 2 5.069 3.273 -1.183 13 HA3 GLY 2 3HA GLY 2 6.101 2.316 -0.130 14 H CYS 3 H CYS 3 5.574 3.476 -3.318 15 HA CYS 3 HA CYS 3 8.213 2.542 -4.097 16 HB2 CYS 3 2HB CYS 3 5.905 1.168 -4.950 17 HB3 CYS 3 3HB CYS 3 6.444 2.118 -6.331 18 H VAL 4 H VAL 4 9.204 4.333 -4.728 19 HA VAL 4 HA VAL 4 7.698 6.272 -6.361 20 HB VAL 4 HB VAL 4 8.187 7.166 -4.113 21 HG11 VAL 4 1HG1 VAL 4 10.565 7.713 -3.572 22 HG12 VAL 4 2HG1 VAL 4 10.188 5.989 -3.546 23 HG13 VAL 4 3HG1 VAL 4 11.050 6.684 -4.919 24 HG21 VAL 4 1HG2 VAL 4 8.325 8.468 -6.417 25 HG22 VAL 4 2HG2 VAL 4 8.670 9.261 -4.880 26 HG23 VAL 4 3HG2 VAL 4 9.995 8.702 -5.900 27 H CYS 5 H CYS 5 8.800 7.289 -8.052 28 HA CYS 5 HA CYS 5 11.489 6.290 -8.671 29 HB2 CYS 5 2HB CYS 5 9.278 6.429 -10.726 30 HB3 CYS 5 3HB CYS 5 10.899 5.777 -10.943 31 H SER 6 H SER 6 12.762 7.664 -9.936 32 HA SER 6 HA SER 6 11.965 10.452 -9.810 33 HB2 SER 6 2HB SER 6 14.254 9.629 -9.117 34 HB3 SER 6 3HB SER 6 14.582 9.325 -10.822 35 HG SER 6 HG SER 6 15.103 11.502 -9.705 36 H GLY 7 H GLY 7 10.247 9.923 -11.480 37 HA2 GLY 7 2HA GLY 7 10.905 11.110 -13.924 38 HA3 GLY 7 3HA GLY 7 10.939 9.368 -14.160 39 H SER 8 H SER 8 9.022 8.184 -14.046 40 HA SER 8 HA SER 8 6.552 9.782 -13.904 41 HB2 SER 8 2HB SER 8 7.302 7.694 -15.957 42 HB3 SER 8 3HB SER 8 5.649 8.262 -15.719 43 HG SER 8 HG SER 8 7.533 9.373 -17.183 44 H THR 9 H THR 9 4.595 8.145 -13.891 45 HA THR 9 HA THR 9 4.935 6.567 -11.511 46 HB THR 9 HB THR 9 2.400 6.177 -12.892 47 HG1 THR 9 HG1 THR 9 1.849 8.500 -12.418 48 HG21 THR 9 1HG2 THR 9 2.588 7.725 -10.379 49 HG22 THR 9 2HG2 THR 9 3.246 6.089 -10.340 50 HG23 THR 9 3HG2 THR 9 1.562 6.351 -10.791 51 H ALA 10 H ALA 10 4.334 5.931 -14.934 52 HA ALA 10 HA ALA 10 3.783 3.225 -14.861 53 HB1 ALA 10 1HB ALA 10 5.358 4.750 -16.930 54 HB2 ALA 10 2HB ALA 10 4.684 3.135 -17.154 55 HB3 ALA 10 3HB ALA 10 3.611 4.511 -16.900 56 H VAL 11 H VAL 11 6.893 4.865 -14.666 57 HA VAL 11 HA VAL 11 8.380 2.384 -14.710 58 HB VAL 11 HB VAL 11 9.395 4.351 -15.712 59 HG11 VAL 11 1HG1 VAL 11 8.383 6.100 -14.412 60 HG12 VAL 11 2HG1 VAL 11 9.197 5.542 -12.949 61 HG13 VAL 11 3HG1 VAL 11 10.136 6.234 -14.272 62 HG21 VAL 11 1HG2 VAL 11 11.412 3.612 -15.126 63 HG22 VAL 11 2HG2 VAL 11 11.232 4.229 -13.484 64 HG23 VAL 11 3HG2 VAL 11 10.616 2.629 -13.897 65 H ALA 12 H ALS 12 7.121 4.620 -12.351 66 HB1 ALA 12 1HB ALS 12 7.239 5.876 -10.206 67 HB2 ALA 12 2HB ALS 12 5.818 4.833 -10.135 68 HB3 ALA 12 3HB ALS 12 6.944 4.883 -8.778 69 H ASN 13 H ASN 13 5.534 2.660 -11.263 70 HA ASN 13 HA ASN 13 5.373 0.678 -9.199 71 HB2 ASN 13 2HB ASN 13 3.308 0.078 -10.128 72 HB3 ASN 13 3HB ASN 13 3.433 1.796 -10.493 73 HD21 ASN 13 1HD2 ASN 13 3.941 2.437 -12.621 74 HD22 ASN 13 2HD2 ASN 13 3.653 1.385 -13.960 75 H SER 14 H SER 14 6.686 0.839 -12.401 76 HA SER 14 HA SER 14 6.700 -1.805 -13.194 77 HB2 SER 14 2HB SER 14 7.622 0.344 -14.366 78 HB3 SER 14 3HB SER 14 9.145 -0.112 -13.603 79 HG SER 14 HG SER 14 9.201 -1.946 -14.777 80 H HIS 15 H HIS 15 8.723 -0.191 -10.829 81 HA HIS 15 HA HIS 15 10.289 -2.630 -10.422 82 HB2 HIS 15 2HB HIS 15 10.940 0.090 -10.319 83 HB3 HIS 15 3HB HIS 15 10.954 -0.444 -8.640 84 HD1 HIS 15 HD1 HIS 15 13.029 -0.314 -11.581 85 HD2 HIS 15 HD2 HIS 15 12.690 -2.833 -8.294 86 HE1 HIS 15 HE1 HIS 15 15.190 -1.598 -11.491 87 H ASN 16 H NSS 16 8.673 -0.220 -8.341 88 HB2 ASN 16 2HB NSS 16 6.295 -1.953 -8.021 89 HB3 ASN 16 3HB NSS 16 6.755 -3.173 -6.837 90 HD21 ASN 16 1HD2 NSS 16 5.190 -0.044 -7.219 91 HD22 ASN 16 2HD2 NSS 16 4.152 -0.192 -5.845 92 H ALA 17 H ALA 17 7.214 -2.446 -4.552 93 HA ALA 17 HA ALA 17 9.539 -4.095 -4.192 94 HB1 ALA 17 1HB ALA 17 10.649 -2.246 -3.346 95 HB2 ALA 17 2HB ALA 17 9.194 -1.589 -2.594 96 HB3 ALA 17 3HB ALA 17 9.990 -2.998 -1.893 97 H GLY 18 H GLY 18 7.106 -2.516 -2.102 98 HA2 GLY 18 2HA GLY 18 5.399 -4.684 -1.811 99 HA3 GLY 18 3HA GLY 18 6.635 -4.865 -0.575 100 HA PRO 19 HA PRO 19 3.138 -2.025 0.841 101 HB2 PRO 19 2HB PRO 19 2.203 -3.622 2.826 102 HB3 PRO 19 3HB PRO 19 1.599 -3.699 1.167 103 HG2 PRO 19 2HG PRO 19 3.602 -5.453 2.536 104 HG3 PRO 19 3HG PRO 19 2.271 -5.906 1.456 105 HD2 PRO 19 2HD PRO 19 4.840 -5.746 0.615 106 HD3 PRO 19 3HD PRO 19 3.464 -5.374 -0.443 107 H ALA 20 H ALA 20 5.407 -4.090 2.606 108 HA ALA 20 HA ALA 20 5.724 -1.957 4.611 109 HB1 ALA 20 1HB ALA 20 5.022 -4.076 5.564 110 HB2 ALA 20 2HB ALA 20 6.398 -4.889 4.817 111 HB3 ALA 20 3HB ALA 20 6.664 -3.686 6.079 112 H TYR 21 H TYR 21 6.981 -2.197 1.895 113 HA TYR 21 HA TYR 21 9.796 -2.155 2.769 114 HB2 TYR 21 2HB TYR 21 8.594 -3.084 0.163 115 HB3 TYR 21 3HB TYR 21 10.305 -2.704 0.330 116 HD1 TYR 21 HD1 TYR 21 7.644 -4.812 1.883 117 HD2 TYR 21 HD2 TYR 21 11.776 -4.380 0.968 118 HE1 TYR 21 HE1 TYR 21 8.060 -7.088 2.716 119 HE2 TYR 21 HE2 TYR 21 12.204 -6.656 1.796 120 HH TYR 21 HH TYR 21 9.664 -8.855 2.522 121 H CYS 22 H CYS 22 11.193 -0.666 1.610 122 HA CYS 22 HA CYS 22 9.780 1.577 0.343 123 HB2 CYS 22 2HB CYS 22 11.889 1.823 2.500 124 HB3 CYS 22 3HB CYS 22 11.193 3.167 1.600 125 H VAL 23 H VAL 23 10.768 2.408 -1.410 126 HA VAL 23 HA VAL 23 13.601 1.888 -1.872 127 HB VAL 23 HB VAL 23 11.470 1.048 -3.842 128 HG11 VAL 23 1HG1 VAL 23 14.466 1.185 -4.039 129 HG12 VAL 23 2HG1 VAL 23 13.494 0.151 -5.089 130 HG13 VAL 23 3HG1 VAL 23 13.262 1.899 -5.111 131 HG21 VAL 23 1HG2 VAL 23 11.661 -0.566 -2.072 132 HG22 VAL 23 2HG2 VAL 23 12.448 -1.213 -3.511 133 HG23 VAL 23 3HG2 VAL 23 13.421 -0.556 -2.195 134 H GLY 24 H GLY 24 14.483 3.756 -2.446 135 HA2 GLY 24 2HA GLY 24 12.793 5.740 -3.825 136 HA3 GLY 24 3HA GLY 24 14.193 6.123 -2.834 137 H TYR 25 H TYR 25 13.053 5.430 -5.972 138 HA TYR 25 HA TYR 25 15.717 4.957 -7.052 139 HB2 TYR 25 2HB TYR 25 13.505 3.806 -7.809 140 HB3 TYR 25 3HB TYR 25 13.246 5.287 -8.724 141 HD1 TYR 25 HD1 TYR 25 15.832 2.652 -8.166 142 HD2 TYR 25 HD2 TYR 25 14.106 5.447 -10.870 143 HE1 TYR 25 HE1 TYR 25 17.257 1.778 -9.970 144 HE2 TYR 25 HE2 TYR 25 15.526 4.580 -12.682 145 HH TYR 25 HH TYR 25 16.857 1.870 -12.840 146 H CYS 26 H CYS 26 16.964 6.678 -7.351 147 HA CYS 26 HA CYS 26 16.165 8.800 -9.072 148 HB2 CYS 26 2HB CYS 26 16.578 10.621 -7.342 149 HB3 CYS 26 3HB CYS 26 15.053 9.751 -7.206 150 H GLY 27 H GLY 27 17.938 9.136 -10.228 151 HA2 GLY 27 2HA GLY 27 20.470 9.649 -8.917 152 HA3 GLY 27 3HA GLY 27 20.434 8.184 -9.885 153 H ASN 28 H ASN 28 18.684 11.131 -10.660 154 HA ASN 28 HA ASN 28 20.616 11.736 -12.780 155 HB2 ASN 28 2HB ASN 28 17.677 11.184 -13.145 156 HB3 ASN 28 3HB ASN 28 18.582 12.158 -14.299 157 HD21 ASN 28 1HD2 ASN 28 17.716 9.051 -13.348 158 HD22 ASN 28 2HD2 ASN 28 18.764 8.165 -14.398 159 H ASN 29 H ASN 29 19.926 12.979 -10.208 160 HA ASN 29 HA ASN 29 19.506 15.674 -11.213 161 HB2 ASN 29 2HB ASN 29 17.764 14.466 -9.053 162 HB3 ASN 29 3HB ASN 29 17.803 16.176 -9.474 163 HD21 ASN 29 1HD2 ASN 29 16.502 13.130 -10.182 164 HD22 ASN 29 2HD2 ASN 29 15.588 13.578 -11.578 165 H GLY 30 H GLY 30 19.556 14.023 -8.045 166 HA2 GLY 30 2HA GLY 30 22.165 14.949 -7.388 167 HA3 GLY 30 3HA GLY 30 20.941 15.969 -6.646 168 H VAL 31 H VAL 31 22.492 14.836 -4.889 169 HA VAL 31 HA VAL 31 21.753 12.199 -4.102 170 HB VAL 31 HB VAL 31 23.065 14.373 -2.463 171 HG11 VAL 31 1HG1 VAL 31 22.744 11.414 -2.019 172 HG12 VAL 31 2HG1 VAL 31 23.935 12.396 -1.163 173 HG13 VAL 31 3HG1 VAL 31 22.214 12.734 -0.977 174 HG21 VAL 31 1HG2 VAL 31 24.074 12.472 -4.492 175 HG22 VAL 31 2HG2 VAL 31 24.658 14.077 -4.051 176 HG23 VAL 31 3HG2 VAL 31 25.058 12.686 -3.044 177 H VAL 32 H VAL 32 20.701 15.436 -3.187 178 HA VAL 32 HA VAL 32 19.198 14.853 -0.930 179 HB VAL 32 HB VAL 32 18.520 16.885 -3.061 180 HG11 VAL 32 1HG1 VAL 32 17.368 18.070 -1.260 181 HG12 VAL 32 2HG1 VAL 32 16.677 16.466 -1.514 182 HG13 VAL 32 3HG1 VAL 32 17.752 16.759 -0.146 183 HG21 VAL 32 1HG2 VAL 32 20.437 17.861 -2.478 184 HG22 VAL 32 2HG2 VAL 32 19.704 18.173 -0.905 185 HG23 VAL 32 3HG2 VAL 32 20.689 16.731 -1.148 186 H THR 33 H THR 33 18.105 14.943 -4.320 187 HA THR 33 HA THR 33 15.455 14.208 -3.887 188 HB THR 33 HB THR 33 16.802 13.145 -6.320 189 HG1 THR 33 HG1 THR 33 17.692 15.002 -6.768 190 HG21 THR 33 1HG2 THR 33 14.190 13.694 -5.534 191 HG22 THR 33 2HG2 THR 33 14.740 13.308 -7.165 192 HG23 THR 33 3HG2 THR 33 14.595 14.991 -6.659 193 H ARG 34 H RSS 34 18.257 12.137 -4.621 194 HB2 ARG 34 2HB RSS 34 19.306 9.842 -5.299 195 HB3 ARG 34 3HB RSS 34 19.739 10.431 -3.700 196 HG2 ARG 34 2HG RSS 34 18.439 7.794 -3.766 197 HG3 ARG 34 3HG RSS 34 20.039 7.881 -4.505 198 HD2 ARG 34 2HD RSS 34 20.631 9.183 -2.302 199 HD3 ARG 34 3HD RSS 34 19.223 8.328 -1.673 200 HE ARG 34 HE RSS 34 21.792 7.231 -2.164 201 HH11 ARG 34 1HH2 RSS 34 22.111 4.990 -1.880 202 HH12 ARG 34 2HH2 RSS 34 20.742 3.931 -1.853 203 HH21 ARG 34 1HH1 RSS 34 18.395 6.482 -2.319 204 HH22 ARG 34 2HH1 RSS 34 18.628 4.779 -2.103 205 H ASN 35 H ASN 35 17.775 11.663 -1.944 206 HA ASN 35 HA ASN 35 17.238 9.567 -0.029 207 HB2 ASN 35 2HB ASN 35 17.791 12.523 0.255 208 HB3 ASN 35 3HB ASN 35 17.442 11.477 1.629 209 HD21 ASN 35 1HD2 ASN 35 19.866 12.947 0.193 210 HD22 ASN 35 2HD2 ASN 35 21.147 11.815 0.444 211 H ALA 36 H ALA 36 15.683 12.637 -0.952 212 HA ALA 36 HA ALA 36 13.461 12.518 0.682 213 HB1 ALA 36 1HB ALA 36 13.170 13.502 -2.122 214 HB2 ALA 36 2HB ALA 36 12.543 14.183 -0.621 215 HB3 ALA 36 3HB ALA 36 14.256 14.333 -1.009 216 H ASN 37 H ASN 37 14.109 10.796 -2.298 217 HA ASN 37 HA ASN 37 11.520 9.929 -2.905 218 HB2 ASN 37 2HB ASN 37 14.258 8.837 -3.477 219 HB3 ASN 37 3HB ASN 37 12.826 7.922 -3.938 220 HD21 ASN 37 1HD2 ASN 37 12.867 8.109 -6.091 221 HD22 ASN 37 2HD2 ASN 37 12.817 9.606 -6.953 222 H ALA 38 H ALA 38 14.074 8.237 -1.080 223 HA ALA 38 HA ALA 38 12.606 5.985 -0.370 224 HB1 ALA 38 1HB ALA 38 14.936 5.937 -0.013 225 HB2 ALA 38 2HB ALA 38 14.889 7.380 1.002 226 HB3 ALA 38 3HB ALA 38 14.206 5.864 1.591 227 H ASN 39 H ASN 39 12.457 9.220 0.855 228 HA ASN 39 HA ASN 39 11.220 8.613 3.349 229 HB2 ASN 39 2HB ASN 39 12.344 10.854 2.286 230 HB3 ASN 39 3HB ASN 39 10.632 11.237 2.133 231 HD21 ASN 39 1HD2 ASN 39 12.012 12.826 3.713 232 HD22 ASN 39 2HD2 ASN 39 11.694 12.511 5.382 233 H VAL 40 H VAL 40 10.052 9.262 0.105 234 HA VAL 40 HA VAL 40 7.294 9.469 0.883 235 HB VAL 40 HB VAL 40 8.464 9.016 -1.866 236 HG11 VAL 40 1HG1 VAL 40 5.743 10.023 -1.039 237 HG12 VAL 40 2HG1 VAL 40 6.331 9.841 -2.693 238 HG13 VAL 40 3HG1 VAL 40 6.091 8.417 -1.679 239 HG21 VAL 40 1HG2 VAL 40 9.208 11.107 -1.726 240 HG22 VAL 40 2HG2 VAL 40 7.528 11.637 -1.636 241 HG23 VAL 40 3HG2 VAL 40 8.439 11.336 -0.156 242 H ALA 41 H ALA 41 9.449 6.926 -0.133 243 HA ALA 41 HA ALA 41 7.314 5.030 -0.606 244 HB1 ALA 41 1HB ALA 41 8.886 3.674 -1.517 245 HB2 ALA 41 2HB ALA 41 9.766 5.198 -1.645 246 HB3 ALA 41 3HB ALA 41 10.106 4.093 -0.313 247 H LYS 42 H KSS 42 9.970 5.364 1.747 248 HB2 LYS 42 2HB KSS 42 10.694 4.241 5.052 249 HB3 LYS 42 3HB KSS 42 11.379 4.763 3.518 250 HG2 LYS 42 2HG KSS 42 10.102 6.874 3.718 251 HG3 LYS 42 3HG KSS 42 9.555 6.350 5.313 252 HD2 LYS 42 2HD KSS 42 12.438 6.718 4.497 253 HD3 LYS 42 3HD KSS 42 11.488 7.881 5.425 254 HE2 LYS 42 2HE KSS 42 11.081 5.747 6.950 255 HE3 LYS 42 3HE KSS 42 12.617 5.255 6.237 256 HZ1 LYS 42 1HZ KSS 42 13.346 7.624 6.926 257 HZ2 LYS 42 2HZ KSS 42 13.285 6.403 8.095 258 HZ3 LYS 42 3HZ KSS 42 12.037 7.541 7.995 259 H THR 43 H THR 43 7.820 6.310 3.201 260 HA THR 43 HA THR 43 6.276 5.885 5.601 261 HB THR 43 HB THR 43 5.045 7.948 4.855 262 HG1 THR 43 HG1 THR 43 5.306 7.996 2.674 263 HG21 THR 43 1HG2 THR 43 6.975 9.471 5.209 264 HG22 THR 43 2HG2 THR 43 8.056 8.088 5.041 265 HG23 THR 43 3HG2 THR 43 6.908 8.154 6.378 266 H ALA 44 H ALA 44 5.829 5.529 2.138 267 HA ALA 44 HA ALA 44 3.003 4.986 2.363 268 HB1 ALA 44 1HB ALA 44 3.534 4.203 -0.125 269 HB2 ALA 44 2HB ALA 44 3.359 5.902 0.316 270 HB3 ALA 44 3HB ALA 44 4.966 5.194 0.154 Start of MODEL 12 1 H1 TRP 1 H TRP 1 0.612 0.849 -0.846 2 HA TRP 1 HA TRP 1 2.584 -1.208 -1.157 3 HB2 TRP 1 2HB TRP 1 2.858 -0.853 -3.628 4 HB3 TRP 1 3HB TRP 1 1.381 -1.700 -3.174 5 HD1 TRP 1 HD1 TRP 1 -0.916 -0.118 -3.170 6 HE1 TRP 1 HE1 TRP 1 -1.553 1.790 -4.776 7 HE3 TRP 1 HE3 TRP 1 3.721 0.958 -5.035 8 HZ2 TRP 1 HZ2 TRP 1 -0.262 3.521 -6.593 9 HZ3 TRP 1 HZ3 TRP 1 3.934 2.754 -6.703 10 HH2 TRP 1 HH2 TRP 1 1.982 4.007 -7.465 11 H GLY 2 H GLY 2 4.571 -0.352 -0.972 12 HA2 GLY 2 2HA GLY 2 4.776 2.585 -1.103 13 HA3 GLY 2 3HA GLY 2 5.799 1.544 -0.125 14 H CYS 3 H CYS 3 5.187 2.797 -3.321 15 HA CYS 3 HA CYS 3 7.938 2.151 -4.057 16 HB2 CYS 3 2HB CYS 3 5.770 0.662 -5.035 17 HB3 CYS 3 3HB CYS 3 6.212 1.754 -6.343 18 H VAL 4 H VAL 4 8.828 4.027 -4.577 19 HA VAL 4 HA VAL 4 7.196 6.009 -6.027 20 HB VAL 4 HB VAL 4 7.843 6.726 -3.739 21 HG11 VAL 4 1HG1 VAL 4 10.573 7.385 -4.240 22 HG12 VAL 4 2HG1 VAL 4 9.891 6.386 -2.955 23 HG13 VAL 4 3HG1 VAL 4 10.346 5.655 -4.495 24 HG21 VAL 4 1HG2 VAL 4 7.489 8.313 -5.646 25 HG22 VAL 4 2HG2 VAL 4 8.519 8.930 -4.354 26 HG23 VAL 4 3HG2 VAL 4 9.240 8.352 -5.856 27 H CYS 5 H CYS 5 8.181 7.196 -7.691 28 HA CYS 5 HA CYS 5 10.835 6.304 -8.562 29 HB2 CYS 5 2HB CYS 5 8.441 6.477 -10.404 30 HB3 CYS 5 3HB CYS 5 10.077 6.002 -10.852 31 H SER 6 H SER 6 12.013 7.811 -9.731 32 HA SER 6 HA SER 6 11.048 10.553 -9.482 33 HB2 SER 6 2HB SER 6 13.742 9.292 -9.863 34 HB3 SER 6 3HB SER 6 13.507 10.987 -10.290 35 HG SER 6 HG SER 6 14.102 11.002 -8.184 36 H GLY 7 H GLY 7 9.560 9.503 -11.365 37 HA2 GLY 7 2HA GLY 7 10.284 10.973 -13.711 38 HA3 GLY 7 3HA GLY 7 10.417 9.239 -13.961 39 H SER 8 H SER 8 8.570 7.980 -14.068 40 HA SER 8 HA SER 8 6.019 9.454 -14.057 41 HB2 SER 8 2HB SER 8 7.064 7.474 -16.076 42 HB3 SER 8 3HB SER 8 5.343 7.822 -15.920 43 HG SER 8 HG SER 8 6.238 10.146 -16.072 44 H THR 9 H THR 9 4.138 7.747 -14.167 45 HA THR 9 HA THR 9 4.364 6.187 -11.771 46 HB THR 9 HB THR 9 1.973 5.487 -13.100 47 HG1 THR 9 HG1 THR 9 1.165 7.638 -13.527 48 HG21 THR 9 1HG2 THR 9 2.460 5.949 -10.646 49 HG22 THR 9 2HG2 THR 9 0.924 6.551 -11.268 50 HG23 THR 9 3HG2 THR 9 2.277 7.658 -11.037 51 H ALA 10 H ALA 10 4.102 5.492 -15.225 52 HA ALA 10 HA ALA 10 3.706 2.759 -15.170 53 HB1 ALA 10 1HB ALA 10 3.935 2.947 -17.374 54 HB2 ALA 10 2HB ALA 10 4.296 4.654 -17.111 55 HB3 ALA 10 3HB ALA 10 5.609 3.482 -17.223 56 H VAL 11 H VAL 11 6.713 4.570 -14.788 57 HA VAL 11 HA VAL 11 8.319 2.174 -14.632 58 HB VAL 11 HB VAL 11 9.292 4.194 -15.592 59 HG11 VAL 11 1HG1 VAL 11 8.100 5.882 -14.343 60 HG12 VAL 11 2HG1 VAL 11 8.889 5.379 -12.847 61 HG13 VAL 11 3HG1 VAL 11 9.835 6.119 -14.139 62 HG21 VAL 11 1HG2 VAL 11 11.273 3.476 -14.890 63 HG22 VAL 11 2HG2 VAL 11 11.019 4.200 -13.302 64 HG23 VAL 11 3HG2 VAL 11 10.455 2.560 -13.624 65 H ALA 12 H ALS 12 6.783 4.410 -12.433 66 HB1 ALA 12 1HB ALS 12 5.248 4.513 -10.331 67 HB2 ALA 12 2HB ALS 12 6.261 4.708 -8.900 68 HB3 ALA 12 3HB ALS 12 6.568 5.683 -10.338 69 H ASN 13 H ASN 13 5.244 2.315 -11.424 70 HA ASN 13 HA ASN 13 5.162 0.332 -9.333 71 HB2 ASN 13 2HB ASN 13 3.149 -0.394 -10.283 72 HB3 ASN 13 3HB ASN 13 3.162 1.332 -10.634 73 HD21 ASN 13 1HD2 ASN 13 3.820 1.998 -12.766 74 HD22 ASN 13 2HD2 ASN 13 3.545 0.949 -14.110 75 H SER 14 H SER 14 6.478 0.614 -12.527 76 HA SER 14 HA SER 14 6.682 -2.025 -13.329 77 HB2 SER 14 2HB SER 14 7.340 -0.329 -14.865 78 HB3 SER 14 3HB SER 14 8.545 0.314 -13.750 79 HG SER 14 HG SER 14 8.615 -2.197 -15.070 80 H HIS 15 H HIS 15 8.697 -0.221 -11.070 81 HA HIS 15 HA HIS 15 10.437 -2.521 -10.659 82 HB2 HIS 15 2HB HIS 15 10.830 0.233 -10.517 83 HB3 HIS 15 3HB HIS 15 10.850 -0.292 -8.836 84 HD1 HIS 15 HD1 HIS 15 12.673 -0.785 -12.092 85 HD2 HIS 15 HD2 HIS 15 13.104 -1.691 -8.060 86 HE1 HIS 15 HE1 HIS 15 15.020 -1.652 -11.845 87 H ASN 16 H NSS 16 8.623 -0.329 -8.501 88 HB2 ASN 16 2HB NSS 16 6.399 -2.264 -8.230 89 HB3 ASN 16 3HB NSS 16 6.967 -3.480 -7.090 90 HD21 ASN 16 1HD2 NSS 16 5.093 -0.529 -7.405 91 HD22 ASN 16 2HD2 NSS 16 4.102 -0.789 -6.014 92 H ALA 17 H ALA 17 7.381 -2.795 -4.784 93 HA ALA 17 HA ALA 17 9.757 -4.340 -4.490 94 HB1 ALA 17 1HB ALA 17 9.691 -2.641 -2.146 95 HB2 ALA 17 2HB ALA 17 11.048 -3.082 -3.184 96 HB3 ALA 17 3HB ALA 17 10.012 -1.723 -3.617 97 H GLY 18 H GLY 18 7.434 -2.725 -2.303 98 HA2 GLY 18 2HA GLY 18 5.786 -4.912 -1.843 99 HA3 GLY 18 3HA GLY 18 7.090 -5.021 -0.671 100 HA PRO 19 HA PRO 19 3.609 -2.141 0.759 101 HB2 PRO 19 2HB PRO 19 2.647 -3.712 2.754 102 HB3 PRO 19 3HB PRO 19 2.032 -3.778 1.098 103 HG2 PRO 19 2HG PRO 19 4.000 -5.575 2.461 104 HG3 PRO 19 3HG PRO 19 2.653 -6.000 1.389 105 HD2 PRO 19 2HD PRO 19 5.220 -5.903 0.534 106 HD3 PRO 19 3HD PRO 19 3.848 -5.500 -0.518 107 H ALA 20 H ALA 20 5.904 -4.216 2.455 108 HA ALA 20 HA ALA 20 6.243 -2.116 4.493 109 HB1 ALA 20 1HB ALA 20 7.260 -3.894 5.891 110 HB2 ALA 20 2HB ALA 20 5.573 -4.204 5.478 111 HB3 ALA 20 3HB ALA 20 6.860 -5.063 4.632 112 H TYR 21 H TYR 21 7.455 -2.320 1.753 113 HA TYR 21 HA TYR 21 10.283 -2.279 2.582 114 HB2 TYR 21 2HB TYR 21 9.016 -3.255 0.033 115 HB3 TYR 21 3HB TYR 21 10.708 -2.774 0.085 116 HD1 TYR 21 HD1 TYR 21 12.209 -4.500 0.311 117 HD2 TYR 21 HD2 TYR 21 8.389 -4.867 2.150 118 HE1 TYR 21 HE1 TYR 21 12.824 -6.737 1.129 119 HE2 TYR 21 HE2 TYR 21 8.994 -7.104 2.973 120 HH TYR 21 HH TYR 21 12.043 -8.238 3.147 121 H CYS 22 H CYS 22 11.430 -0.484 2.157 122 HA CYS 22 HA CYS 22 10.041 1.696 0.757 123 HB2 CYS 22 2HB CYS 22 12.297 1.779 2.770 124 HB3 CYS 22 3HB CYS 22 11.620 3.192 1.968 125 H VAL 23 H VAL 23 10.671 2.046 -1.258 126 HA VAL 23 HA VAL 23 13.530 1.802 -1.907 127 HB VAL 23 HB VAL 23 11.270 0.875 -3.684 128 HG11 VAL 23 1HG1 VAL 23 12.697 1.002 -5.378 129 HG12 VAL 23 2HG1 VAL 23 13.901 1.718 -4.305 130 HG13 VAL 23 3HG1 VAL 23 13.835 -0.032 -4.516 131 HG21 VAL 23 1HG2 VAL 23 13.336 -0.675 -2.129 132 HG22 VAL 23 2HG2 VAL 23 11.588 -0.694 -1.889 133 HG23 VAL 23 3HG2 VAL 23 12.284 -1.371 -3.361 134 H GLY 24 H GLY 24 14.282 3.695 -2.576 135 HA2 GLY 24 2HA GLY 24 12.412 5.547 -3.915 136 HA3 GLY 24 3HA GLY 24 13.787 6.055 -2.945 137 H TYR 25 H TYR 25 12.674 5.539 -6.048 138 HA TYR 25 HA TYR 25 15.175 4.821 -7.273 139 HB2 TYR 25 2HB TYR 25 12.696 4.466 -8.113 140 HB3 TYR 25 3HB TYR 25 12.937 6.059 -8.822 141 HD1 TYR 25 HD1 TYR 25 13.451 5.972 -11.061 142 HD2 TYR 25 HD2 TYR 25 15.003 2.952 -8.498 143 HE1 TYR 25 HE1 TYR 25 14.605 4.949 -12.977 144 HE2 TYR 25 HE2 TYR 25 16.163 1.920 -10.406 145 HH TYR 25 HH TYR 25 16.390 3.483 -13.482 146 H CYS 26 H CYS 26 16.812 6.192 -7.419 147 HA CYS 26 HA CYS 26 16.227 9.025 -7.985 148 HB2 CYS 26 2HB CYS 26 18.414 7.874 -6.241 149 HB3 CYS 26 3HB CYS 26 18.321 9.565 -6.726 150 H GLY 27 H GLY 27 16.866 9.551 -9.963 151 HA2 GLY 27 2HA GLY 27 18.705 7.929 -11.450 152 HA3 GLY 27 3HA GLY 27 17.956 9.424 -11.994 153 H ASN 28 H ASN 28 19.418 10.894 -12.516 154 HA ASN 28 HA ASN 28 21.849 11.095 -10.862 155 HB2 ASN 28 2HB ASN 28 22.845 12.102 -13.037 156 HB3 ASN 28 3HB ASN 28 22.666 10.354 -12.921 157 HD21 ASN 28 1HD2 ASN 28 21.393 9.312 -14.338 158 HD22 ASN 28 2HD2 ASN 28 20.490 10.084 -15.593 159 H ASN 29 H ASN 29 19.877 12.498 -9.879 160 HA ASN 29 HA ASN 29 20.093 15.220 -10.970 161 HB2 ASN 29 2HB ASN 29 18.063 14.091 -9.030 162 HB3 ASN 29 3HB ASN 29 18.064 15.726 -9.682 163 HD21 ASN 29 1HD2 ASN 29 17.561 12.356 -10.391 164 HD22 ASN 29 2HD2 ASN 29 16.714 12.590 -11.878 165 H GLY 30 H GLY 30 20.635 13.246 -8.137 166 HA2 GLY 30 2HA GLY 30 22.678 14.516 -6.986 167 HA3 GLY 30 3HA GLY 30 21.340 15.546 -6.499 168 H VAL 31 H VAL 31 22.647 14.557 -4.469 169 HA VAL 31 HA VAL 31 21.768 11.962 -3.637 170 HB VAL 31 HB VAL 31 22.951 14.167 -1.945 171 HG11 VAL 31 1HG1 VAL 31 23.764 11.884 -0.799 172 HG12 VAL 31 2HG1 VAL 31 22.275 12.714 -0.345 173 HG13 VAL 31 3HG1 VAL 31 22.219 11.346 -1.457 174 HG21 VAL 31 1HG2 VAL 31 24.776 13.870 -3.203 175 HG22 VAL 31 2HG2 VAL 31 24.932 12.316 -2.384 176 HG23 VAL 31 3HG2 VAL 31 24.132 12.409 -3.952 177 H VAL 32 H VAL 32 20.724 15.272 -3.073 178 HA VAL 32 HA VAL 32 19.004 14.917 -0.930 179 HB VAL 32 HB VAL 32 18.526 16.746 -3.286 180 HG11 VAL 32 1HG1 VAL 32 16.571 16.727 -1.987 181 HG12 VAL 32 2HG1 VAL 32 17.475 16.680 -0.473 182 HG13 VAL 32 3HG1 VAL 32 17.459 18.151 -1.446 183 HG21 VAL 32 1HG2 VAL 32 19.626 18.373 -1.512 184 HG22 VAL 32 2HG2 VAL 32 20.411 16.882 -0.992 185 HG23 VAL 32 3HG2 VAL 32 20.605 17.448 -2.651 186 H THR 33 H THR 33 18.188 14.771 -4.398 187 HA THR 33 HA THR 33 15.512 14.089 -4.150 188 HB THR 33 HB THR 33 16.976 12.753 -6.350 189 HG1 THR 33 HG1 THR 33 18.037 14.476 -6.947 190 HG21 THR 33 1HG2 THR 33 15.212 14.153 -7.620 191 HG22 THR 33 2HG2 THR 33 14.527 14.454 -6.024 192 HG23 THR 33 3HG2 THR 33 14.661 12.803 -6.629 193 H ARG 34 H RSS 34 18.343 11.950 -4.333 194 HB2 ARG 34 2HB RSS 34 19.453 9.605 -4.646 195 HB3 ARG 34 3HB RSS 34 19.659 10.336 -3.060 196 HG2 ARG 34 2HG RSS 34 18.345 7.711 -3.056 197 HG3 ARG 34 3HG RSS 34 20.025 7.716 -3.598 198 HD2 ARG 34 2HD RSS 34 20.155 9.324 -1.407 199 HD3 ARG 34 3HD RSS 34 18.894 8.188 -0.931 200 HE ARG 34 HE RSS 34 20.480 6.542 -0.774 201 HH11 ARG 34 1HH2 RSS 34 22.600 5.701 -0.788 202 HH12 ARG 34 2HH2 RSS 34 23.868 6.600 -1.550 203 HH21 ARG 34 1HH1 RSS 34 21.802 9.250 -2.518 204 HH22 ARG 34 2HH1 RSS 34 23.416 8.619 -2.533 205 H ASN 35 H ASN 35 17.477 11.718 -1.723 206 HA ASN 35 HA ASN 35 16.654 9.806 0.277 207 HB2 ASN 35 2HB ASN 35 17.148 12.785 0.375 208 HB3 ASN 35 3HB ASN 35 16.638 11.843 1.773 209 HD21 ASN 35 1HD2 ASN 35 19.230 13.142 0.287 210 HD22 ASN 35 2HD2 ASN 35 20.474 12.106 0.891 211 H ALA 36 H ALA 36 15.240 12.626 -1.342 212 HA ALA 36 HA ALA 36 12.819 12.750 0.009 213 HB1 ALA 36 1HB ALA 36 12.946 13.267 -2.933 214 HB2 ALA 36 2HB ALA 36 12.074 14.147 -1.677 215 HB3 ALA 36 3HB ALA 36 13.826 14.302 -1.808 216 H ASN 37 H ASN 37 13.780 10.718 -2.714 217 HA ASN 37 HA ASN 37 11.228 9.649 -3.269 218 HB2 ASN 37 2HB ASN 37 14.029 8.686 -3.821 219 HB3 ASN 37 3HB ASN 37 12.619 7.743 -4.295 220 HD21 ASN 37 1HD2 ASN 37 11.644 8.210 -6.150 221 HD22 ASN 37 2HD2 ASN 37 11.978 9.591 -7.133 222 H ALA 38 H ALA 38 13.976 8.110 -1.587 223 HA ALA 38 HA ALA 38 12.610 5.872 -0.664 224 HB1 ALA 38 1HB ALA 38 15.002 7.322 0.441 225 HB2 ALA 38 2HB ALA 38 14.403 5.807 1.117 226 HB3 ALA 38 3HB ALA 38 14.971 5.865 -0.552 227 H ASN 39 H ASN 39 12.587 9.140 0.498 228 HA ASN 39 HA ASN 39 11.615 8.607 3.115 229 HB2 ASN 39 2HB ASN 39 12.655 10.725 2.705 230 HB3 ASN 39 3HB ASN 39 11.542 11.084 1.388 231 HD21 ASN 39 1HD2 ASN 39 9.918 12.369 1.853 232 HD22 ASN 39 2HD2 ASN 39 9.268 12.660 3.427 233 H VAL 40 H VAL 40 10.114 8.983 -0.011 234 HA VAL 40 HA VAL 40 7.445 9.280 1.013 235 HB VAL 40 HB VAL 40 8.341 8.549 -1.779 236 HG11 VAL 40 1HG1 VAL 40 5.702 9.171 -0.554 237 HG12 VAL 40 2HG1 VAL 40 6.021 9.724 -2.199 238 HG13 VAL 40 3HG1 VAL 40 6.118 8.006 -1.810 239 HG21 VAL 40 1HG2 VAL 40 9.088 10.642 -1.909 240 HG22 VAL 40 2HG2 VAL 40 7.417 11.177 -1.738 241 HG23 VAL 40 3HG2 VAL 40 8.447 11.036 -0.314 242 H ALA 41 H ALA 41 9.470 6.638 -0.086 243 HA ALA 41 HA ALA 41 7.309 4.721 -0.072 244 HB1 ALA 41 1HB ALA 41 8.827 3.181 -0.903 245 HB2 ALA 41 2HB ALA 41 9.440 4.706 -1.543 246 HB3 ALA 41 3HB ALA 41 10.204 3.970 -0.134 247 H LYS 42 H KSS 42 10.257 5.241 1.863 248 HB2 LYS 42 2HB KSS 42 11.420 4.408 5.131 249 HB3 LYS 42 3HB KSS 42 11.902 4.755 3.476 250 HG2 LYS 42 2HG KSS 42 11.987 6.863 4.265 251 HG3 LYS 42 3HG KSS 42 10.263 6.827 3.888 252 HD2 LYS 42 2HD KSS 42 9.878 7.345 6.020 253 HD3 LYS 42 3HD KSS 42 10.463 5.735 6.446 254 HE2 LYS 42 2HE KSS 42 12.733 6.610 6.649 255 HE3 LYS 42 3HE KSS 42 12.164 8.215 6.194 256 HZ1 LYS 42 1HZ KSS 42 10.920 6.875 8.488 257 HZ2 LYS 42 2HZ KSS 42 11.148 8.526 8.201 258 HZ3 LYS 42 3HZ KSS 42 12.452 7.564 8.687 259 H THR 43 H THR 43 8.279 6.292 3.457 260 HA THR 43 HA THR 43 7.078 6.086 6.088 261 HB THR 43 HB THR 43 6.581 8.069 3.859 262 HG1 THR 43 HG1 THR 43 8.262 9.060 4.662 263 HG21 THR 43 1HG2 THR 43 5.617 8.008 6.719 264 HG22 THR 43 2HG2 THR 43 4.628 7.950 5.259 265 HG23 THR 43 3HG2 THR 43 5.515 9.419 5.666 266 H ALA 44 H ALA 44 6.148 5.657 2.715 267 HA ALA 44 HA ALA 44 3.406 5.443 2.940 268 HB1 ALA 44 1HB ALA 44 4.336 3.429 1.137 269 HB2 ALA 44 2HB ALA 44 3.598 4.990 0.777 270 HB3 ALA 44 3HB ALA 44 5.345 4.867 0.982 Start of MODEL 13 1 H1 TRP 1 H TRP 1 0.977 0.245 0.962 2 HA TRP 1 HA TRP 1 2.918 -1.155 -0.752 3 HB2 TRP 1 2HB TRP 1 0.438 0.233 -1.319 4 HB3 TRP 1 3HB TRP 1 1.773 0.923 -2.239 5 HD1 TRP 1 HD1 TRP 1 1.269 -2.823 -1.406 6 HE1 TRP 1 HE1 TRP 1 1.127 -4.119 -3.625 7 HE3 TRP 1 HE3 TRP 1 1.404 1.119 -4.659 8 HZ2 TRP 1 HZ2 TRP 1 1.080 -3.547 -6.389 9 HZ3 TRP 1 HZ3 TRP 1 1.307 0.658 -7.075 10 HH2 TRP 1 HH2 TRP 1 1.148 -1.627 -7.919 11 H GLY 2 H GLY 2 4.626 0.017 -1.698 12 HA2 GLY 2 2HA GLY 2 5.036 2.794 -1.038 13 HA3 GLY 2 3HA GLY 2 6.080 1.701 -0.142 14 H CYS 3 H CYS 3 5.286 2.984 -3.293 15 HA CYS 3 HA CYS 3 7.976 2.322 -4.201 16 HB2 CYS 3 2HB CYS 3 5.669 0.882 -5.062 17 HB3 CYS 3 3HB CYS 3 6.244 1.852 -6.415 18 H VAL 4 H VAL 4 8.813 4.191 -4.825 19 HA VAL 4 HA VAL 4 7.087 6.096 -6.270 20 HB VAL 4 HB VAL 4 7.709 6.903 -4.008 21 HG11 VAL 4 1HG1 VAL 4 10.258 5.911 -4.752 22 HG12 VAL 4 2HG1 VAL 4 10.407 7.651 -4.495 23 HG13 VAL 4 3HG1 VAL 4 9.762 6.621 -3.216 24 HG21 VAL 4 1HG2 VAL 4 9.191 8.638 -5.923 25 HG22 VAL 4 2HG2 VAL 4 7.477 8.332 -6.202 26 HG23 VAL 4 3HG2 VAL 4 8.006 9.074 -4.692 27 H CYS 5 H CYS 5 8.029 7.286 -7.961 28 HA CYS 5 HA CYS 5 10.711 6.471 -8.819 29 HB2 CYS 5 2HB CYS 5 8.333 6.513 -10.685 30 HB3 CYS 5 3HB CYS 5 9.980 6.034 -11.080 31 H SER 6 H SER 6 11.797 7.973 -10.112 32 HA SER 6 HA SER 6 10.774 10.690 -9.870 33 HB2 SER 6 2HB SER 6 13.159 11.178 -10.830 34 HB3 SER 6 3HB SER 6 12.991 10.638 -9.160 35 HG SER 6 HG SER 6 14.125 9.368 -11.322 36 H GLY 7 H GLY 7 9.228 9.471 -11.651 37 HA2 GLY 7 2HA GLY 7 9.753 10.942 -14.064 38 HA3 GLY 7 3HA GLY 7 9.907 9.205 -14.282 39 H SER 8 H SER 8 8.121 8.037 -14.652 40 HA SER 8 HA SER 8 5.541 9.438 -14.446 41 HB2 SER 8 2HB SER 8 6.543 7.312 -16.331 42 HB3 SER 8 3HB SER 8 4.818 7.618 -16.126 43 HG SER 8 HG SER 8 5.596 8.863 -17.825 44 H THR 9 H THR 9 3.656 7.765 -14.301 45 HA THR 9 HA THR 9 4.024 6.364 -11.816 46 HB THR 9 HB THR 9 1.596 6.509 -13.614 47 HG1 THR 9 HG1 THR 9 1.850 8.524 -12.837 48 HG21 THR 9 1HG2 THR 9 0.396 5.872 -11.490 49 HG22 THR 9 2HG2 THR 9 1.972 5.471 -10.809 50 HG23 THR 9 3HG2 THR 9 1.370 4.594 -12.214 51 H ALA 10 H ALA 10 3.862 5.532 -15.190 52 HA ALA 10 HA ALA 10 3.272 2.781 -14.913 53 HB1 ALA 10 1HB ALA 10 4.849 3.090 -17.211 54 HB2 ALA 10 2HB ALA 10 3.089 3.044 -17.108 55 HB3 ALA 10 3HB ALA 10 3.936 4.589 -17.038 56 H VAL 11 H VAL 11 6.259 4.619 -14.791 57 HA VAL 11 HA VAL 11 7.922 2.253 -14.763 58 HB VAL 11 HB VAL 11 8.784 4.287 -15.794 59 HG11 VAL 11 1HG1 VAL 11 9.409 6.218 -14.360 60 HG12 VAL 11 2HG1 VAL 11 7.666 5.970 -14.490 61 HG13 VAL 11 3HG1 VAL 11 8.524 5.469 -13.032 62 HG21 VAL 11 1HG2 VAL 11 10.120 2.667 -13.949 63 HG22 VAL 11 2HG2 VAL 11 10.838 3.648 -15.227 64 HG23 VAL 11 3HG2 VAL 11 10.653 4.313 -13.604 65 H ALA 12 H ALS 12 6.476 4.436 -12.462 66 HB1 ALA 12 1HB ALS 12 6.217 4.738 -8.898 67 HB2 ALA 12 2HB ALS 12 6.432 5.727 -10.343 68 HB3 ALA 12 3HB ALS 12 5.118 4.554 -10.265 69 H ASN 13 H ASN 13 5.044 2.352 -11.335 70 HA ASN 13 HA ASN 13 5.101 0.382 -9.242 71 HB2 ASN 13 2HB ASN 13 3.072 -0.418 -10.131 72 HB3 ASN 13 3HB ASN 13 3.022 1.318 -10.426 73 HD21 ASN 13 1HD2 ASN 13 3.610 2.061 -12.567 74 HD22 ASN 13 2HD2 ASN 13 3.284 1.050 -13.930 75 H SER 14 H SER 14 6.277 0.642 -12.492 76 HA SER 14 HA SER 14 6.490 -2.010 -13.259 77 HB2 SER 14 2HB SER 14 7.021 -0.161 -14.768 78 HB3 SER 14 3HB SER 14 8.434 0.250 -13.796 79 HG SER 14 HG SER 14 8.200 -1.577 -15.754 80 H HIS 15 H HIS 15 8.375 -0.202 -10.951 81 HA HIS 15 HA HIS 15 10.275 -2.409 -10.657 82 HB2 HIS 15 2HB HIS 15 10.599 0.338 -10.544 83 HB3 HIS 15 3HB HIS 15 10.619 -0.141 -8.849 84 HD1 HIS 15 HD1 HIS 15 12.746 -1.127 -7.980 85 HD2 HIS 15 HD2 HIS 15 12.640 -0.999 -12.131 86 HE1 HIS 15 HE1 HIS 15 15.047 -1.806 -8.733 87 H ASN 16 H NSS 16 8.444 -0.295 -8.437 88 HB2 ASN 16 2HB NSS 16 6.296 -2.306 -8.119 89 HB3 ASN 16 3HB NSS 16 6.936 -3.510 -7.004 90 HD21 ASN 16 1HD2 NSS 16 5.091 -0.502 -7.123 91 HD22 ASN 16 2HD2 NSS 16 4.095 -0.852 -5.755 92 H ALA 17 H ALA 17 7.390 -2.826 -4.705 93 HA ALA 17 HA ALA 17 9.790 -4.323 -4.484 94 HB1 ALA 17 1HB ALA 17 9.740 -1.657 -3.274 95 HB2 ALA 17 2HB ALA 17 10.216 -2.949 -2.172 96 HB3 ALA 17 3HB ALA 17 11.105 -2.699 -3.674 97 H GLY 18 H GLY 18 7.222 -2.759 -2.576 98 HA2 GLY 18 2HA GLY 18 5.734 -4.900 -1.883 99 HA3 GLY 18 3HA GLY 18 7.079 -5.005 -0.756 100 HA PRO 19 HA PRO 19 3.669 -2.154 0.838 101 HB2 PRO 19 2HB PRO 19 2.945 -3.670 2.970 102 HB3 PRO 19 3HB PRO 19 2.197 -3.834 1.377 103 HG2 PRO 19 2HG PRO 19 4.347 -5.491 2.640 104 HG3 PRO 19 3HG PRO 19 2.935 -6.015 1.705 105 HD2 PRO 19 2HD PRO 19 5.415 -5.856 0.630 106 HD3 PRO 19 3HD PRO 19 3.943 -5.555 -0.316 107 H ALA 20 H ALA 20 5.983 -4.171 2.635 108 HA ALA 20 HA ALA 20 6.476 -1.925 4.461 109 HB1 ALA 20 1HB ALA 20 7.508 -4.726 4.803 110 HB2 ALA 20 2HB ALA 20 7.323 -3.465 6.023 111 HB3 ALA 20 3HB ALA 20 5.897 -4.241 5.334 112 H TYR 21 H TYR 21 7.510 -2.237 1.660 113 HA TYR 21 HA TYR 21 10.389 -2.141 2.284 114 HB2 TYR 21 2HB TYR 21 8.983 -3.040 -0.232 115 HB3 TYR 21 3HB TYR 21 10.711 -2.711 -0.161 116 HD1 TYR 21 HD1 TYR 21 8.112 -4.721 1.622 117 HD2 TYR 21 HD2 TYR 21 12.140 -4.472 0.277 118 HE1 TYR 21 HE1 TYR 21 8.510 -7.017 2.409 119 HE2 TYR 21 HE2 TYR 21 12.549 -6.768 1.058 120 HH TYR 21 HH TYR 21 11.724 -8.491 2.223 121 H CYS 22 H CYS 22 11.543 -0.388 1.653 122 HA CYS 22 HA CYS 22 10.044 1.769 0.318 123 HB2 CYS 22 2HB CYS 22 12.354 1.998 2.259 124 HB3 CYS 22 3HB CYS 22 11.510 3.346 1.503 125 H VAL 23 H VAL 23 10.722 2.347 -1.631 126 HA VAL 23 HA VAL 23 13.556 2.027 -2.321 127 HB VAL 23 HB VAL 23 11.268 1.125 -4.076 128 HG11 VAL 23 1HG1 VAL 23 13.488 0.204 -5.288 129 HG12 VAL 23 2HG1 VAL 23 12.721 1.741 -5.692 130 HG13 VAL 23 3HG1 VAL 23 14.110 1.707 -4.606 131 HG21 VAL 23 1HG2 VAL 23 13.414 -0.421 -2.629 132 HG22 VAL 23 2HG2 VAL 23 11.676 -0.483 -2.335 133 HG23 VAL 23 3HG2 VAL 23 12.338 -1.107 -3.845 134 H GLY 24 H GLY 24 14.277 3.981 -2.843 135 HA2 GLY 24 2HA GLY 24 12.423 5.862 -4.153 136 HA3 GLY 24 3HA GLY 24 13.831 6.326 -3.209 137 H TYR 25 H TYR 25 12.651 6.100 -6.267 138 HA TYR 25 HA TYR 25 15.033 5.242 -7.630 139 HB2 TYR 25 2HB TYR 25 12.416 5.381 -8.356 140 HB3 TYR 25 3HB TYR 25 13.048 6.828 -9.133 141 HD1 TYR 25 HD1 TYR 25 14.203 6.673 -11.163 142 HD2 TYR 25 HD2 TYR 25 13.591 3.160 -8.841 143 HE1 TYR 25 HE1 TYR 25 15.066 5.305 -13.016 144 HE2 TYR 25 HE2 TYR 25 14.454 1.783 -10.687 145 HH TYR 25 HH TYR 25 15.653 1.873 -12.648 146 H CYS 26 H CYS 26 16.796 6.474 -7.509 147 HA CYS 26 HA CYS 26 16.496 9.368 -7.981 148 HB2 CYS 26 2HB CYS 26 18.538 7.974 -6.236 149 HB3 CYS 26 3HB CYS 26 18.512 9.700 -6.583 150 H GLY 27 H GLY 27 17.084 9.681 -10.039 151 HA2 GLY 27 2HA GLY 27 18.970 8.042 -11.410 152 HA3 GLY 27 3HA GLY 27 18.280 9.547 -12.001 153 H ASN 28 H ASN 28 20.156 10.414 -12.807 154 HA ASN 28 HA ASN 28 22.445 10.698 -11.015 155 HB2 ASN 28 2HB ASN 28 22.610 9.971 -13.481 156 HB3 ASN 28 3HB ASN 28 22.316 11.665 -13.864 157 HD21 ASN 28 1HD2 ASN 28 24.117 12.669 -14.341 158 HD22 ASN 28 2HD2 ASN 28 25.650 12.441 -13.577 159 H ASN 29 H ASN 29 20.466 12.145 -9.997 160 HA ASN 29 HA ASN 29 20.768 14.896 -10.961 161 HB2 ASN 29 2HB ASN 29 18.861 13.757 -8.904 162 HB3 ASN 29 3HB ASN 29 18.864 15.417 -9.495 163 HD21 ASN 29 1HD2 ASN 29 17.550 12.392 -9.870 164 HD22 ASN 29 2HD2 ASN 29 16.850 12.592 -11.437 165 H GLY 30 H GLY 30 20.587 13.298 -7.769 166 HA2 GLY 30 2HA GLY 30 23.068 14.314 -6.865 167 HA3 GLY 30 3HA GLY 30 21.769 15.360 -6.312 168 H VAL 31 H VAL 31 22.515 14.719 -4.165 169 HA VAL 31 HA VAL 31 21.883 11.982 -3.372 170 HB VAL 31 HB VAL 31 22.990 14.224 -1.678 171 HG11 VAL 31 1HG1 VAL 31 23.668 11.545 -0.867 172 HG12 VAL 31 2HG1 VAL 31 22.876 12.829 0.050 173 HG13 VAL 31 3HG1 VAL 31 21.919 11.745 -0.961 174 HG21 VAL 31 1HG2 VAL 31 24.343 12.131 -3.351 175 HG22 VAL 31 2HG2 VAL 31 24.628 13.871 -3.314 176 HG23 VAL 31 3HG2 VAL 31 25.143 12.864 -1.961 177 H VAL 32 H VAL 32 20.836 15.298 -2.766 178 HA VAL 32 HA VAL 32 19.042 14.889 -0.698 179 HB VAL 32 HB VAL 32 18.745 16.808 -3.012 180 HG11 VAL 32 1HG1 VAL 32 17.244 16.429 -0.478 181 HG12 VAL 32 2HG1 VAL 32 17.550 18.081 -1.018 182 HG13 VAL 32 3HG1 VAL 32 16.677 16.958 -2.062 183 HG21 VAL 32 1HG2 VAL 32 19.968 18.376 -1.773 184 HG22 VAL 32 2HG2 VAL 32 19.840 17.435 -0.287 185 HG23 VAL 32 3HG2 VAL 32 20.877 16.874 -1.599 186 H THR 33 H THR 33 18.392 14.774 -4.198 187 HA THR 33 HA THR 33 15.685 14.147 -4.072 188 HB THR 33 HB THR 33 17.120 12.784 -6.242 189 HG1 THR 33 HG1 THR 33 18.485 14.352 -6.603 190 HG21 THR 33 1HG2 THR 33 14.722 13.241 -6.311 191 HG22 THR 33 2HG2 THR 33 15.555 14.093 -7.611 192 HG23 THR 33 3HG2 THR 33 15.036 14.970 -6.172 193 H ARG 34 H RSS 34 18.490 11.967 -4.194 194 HB2 ARG 34 2HB RSS 34 19.569 9.608 -4.512 195 HB3 ARG 34 3HB RSS 34 19.741 10.312 -2.910 196 HG2 ARG 34 2HG RSS 34 18.392 7.700 -3.008 197 HG3 ARG 34 3HG RSS 34 20.097 7.703 -3.461 198 HD2 ARG 34 2HD RSS 34 20.198 9.239 -1.256 199 HD3 ARG 34 3HD RSS 34 18.819 8.218 -0.849 200 HE ARG 34 HE RSS 34 20.912 6.597 -1.781 201 HH11 ARG 34 1HH2 RSS 34 22.185 5.402 -0.313 202 HH12 ARG 34 2HH2 RSS 34 22.244 5.881 1.350 203 HH21 ARG 34 1HH1 RSS 34 20.084 8.601 0.943 204 HH22 ARG 34 2HH1 RSS 34 21.049 7.699 2.065 205 H ASN 35 H ASN 35 17.544 11.709 -1.614 206 HA ASN 35 HA ASN 35 16.620 9.776 0.325 207 HB2 ASN 35 2HB ASN 35 17.177 12.742 0.506 208 HB3 ASN 35 3HB ASN 35 16.625 11.770 1.868 209 HD21 ASN 35 1HD2 ASN 35 19.268 13.049 0.435 210 HD22 ASN 35 2HD2 ASN 35 20.482 11.981 1.045 211 H ALA 36 H ALA 36 15.319 12.587 -1.376 212 HA ALA 36 HA ALA 36 12.873 12.816 -0.068 213 HB1 ALA 36 1HB ALA 36 12.336 14.322 -1.666 214 HB2 ALA 36 2HB ALA 36 14.052 14.179 -2.051 215 HB3 ALA 36 3HB ALA 36 12.860 13.275 -2.985 216 H ASN 37 H ASN 37 13.704 10.890 -2.943 217 HA ASN 37 HA ASN 37 11.158 9.816 -3.394 218 HB2 ASN 37 2HB ASN 37 13.915 8.766 -4.038 219 HB3 ASN 37 3HB ASN 37 12.439 7.965 -4.570 220 HD21 ASN 37 1HD2 ASN 37 11.792 8.472 -6.523 221 HD22 ASN 37 2HD2 ASN 37 12.117 9.951 -7.356 222 H ALA 38 H ALA 38 13.943 8.275 -1.780 223 HA ALA 38 HA ALA 38 12.601 5.995 -0.896 224 HB1 ALA 38 1HB ALA 38 14.938 5.922 -0.811 225 HB2 ALA 38 2HB ALA 38 15.041 7.422 0.111 226 HB3 ALA 38 3HB ALA 38 14.439 5.954 0.881 227 H ASN 39 H ASN 39 12.574 9.237 0.318 228 HA ASN 39 HA ASN 39 11.672 8.642 2.952 229 HB2 ASN 39 2HB ASN 39 11.944 11.081 1.275 230 HB3 ASN 39 3HB ASN 39 10.811 11.161 2.621 231 HD21 ASN 39 1HD2 ASN 39 12.692 12.862 2.913 232 HD22 ASN 39 2HD2 ASN 39 13.933 12.347 3.998 233 H VAL 40 H VAL 40 10.092 9.193 -0.125 234 HA VAL 40 HA VAL 40 7.452 9.407 0.982 235 HB VAL 40 HB VAL 40 8.320 8.888 -1.865 236 HG11 VAL 40 1HG1 VAL 40 6.079 8.155 -1.664 237 HG12 VAL 40 2HG1 VAL 40 5.639 9.541 -0.664 238 HG13 VAL 40 3HG1 VAL 40 6.008 9.768 -2.374 239 HG21 VAL 40 1HG2 VAL 40 7.320 11.480 -0.724 240 HG22 VAL 40 2HG2 VAL 40 9.033 11.061 -0.728 241 HG23 VAL 40 3HG2 VAL 40 8.155 11.198 -2.252 242 H ALA 41 H ALA 41 9.486 6.839 -0.217 243 HA ALA 41 HA ALA 41 7.326 4.913 -0.319 244 HB1 ALA 41 1HB ALA 41 9.585 5.051 -1.714 245 HB2 ALA 41 2HB ALA 41 10.154 4.027 -0.395 246 HB3 ALA 41 3HB ALA 41 8.778 3.520 -1.375 247 H LYS 42 H KSS 42 10.283 5.350 1.622 248 HB2 LYS 42 2HB KSS 42 11.481 4.350 4.827 249 HB3 LYS 42 3HB KSS 42 11.937 4.815 3.193 250 HG2 LYS 42 2HG KSS 42 12.000 6.865 4.128 251 HG3 LYS 42 3HG KSS 42 10.275 6.829 3.758 252 HD2 LYS 42 2HD KSS 42 9.707 6.815 5.924 253 HD3 LYS 42 3HD KSS 42 10.922 5.598 6.321 254 HE2 LYS 42 2HE KSS 42 11.810 7.335 7.479 255 HE3 LYS 42 3HE KSS 42 12.539 7.680 5.912 256 HZ1 LYS 42 1HZ KSS 42 10.556 9.163 7.380 257 HZ2 LYS 42 2HZ KSS 42 10.162 8.944 5.750 258 HZ3 LYS 42 3HZ KSS 42 11.623 9.684 6.175 259 H THR 43 H THR 43 8.338 6.327 3.313 260 HA THR 43 HA THR 43 7.133 5.940 5.921 261 HB THR 43 HB THR 43 6.612 8.073 3.840 262 HG1 THR 43 HG1 THR 43 8.659 8.369 4.623 263 HG21 THR 43 1HG2 THR 43 5.590 7.632 6.623 264 HG22 THR 43 2HG2 THR 43 4.704 8.097 5.170 265 HG23 THR 43 3HG2 THR 43 5.751 9.265 5.977 266 H ALA 44 H ALA 44 6.235 5.678 2.532 267 HA ALA 44 HA ALA 44 3.450 5.344 2.944 268 HB1 ALA 44 1HB ALA 44 5.292 4.706 0.664 269 HB2 ALA 44 2HB ALA 44 3.579 4.285 0.617 270 HB3 ALA 44 3HB ALA 44 4.068 5.971 0.780 Start of MODEL 14 1 H1 TRP 1 H TRP 1 2.578 0.247 1.592 2 HA TRP 1 HA TRP 1 3.699 -1.103 -0.467 3 HB2 TRP 1 2HB TRP 1 0.929 -0.482 -1.088 4 HB3 TRP 1 3HB TRP 1 2.032 0.224 -2.266 5 HD1 TRP 1 HD1 TRP 1 2.388 -3.219 -0.527 6 HE1 TRP 1 HE1 TRP 1 2.482 -5.026 -2.357 7 HE3 TRP 1 HE3 TRP 1 1.602 -0.265 -4.626 8 HZ2 TRP 1 HZ2 TRP 1 2.254 -5.179 -5.167 9 HZ3 TRP 1 HZ3 TRP 1 1.555 -1.321 -6.848 10 HH2 TRP 1 HH2 TRP 1 1.875 -3.727 -7.111 11 H GLY 2 H GLY 2 5.422 0.128 -0.804 12 HA2 GLY 2 2HA GLY 2 5.018 3.034 -1.129 13 HA3 GLY 2 3HA GLY 2 6.306 2.405 -0.113 14 H CYS 3 H CYS 3 5.337 3.214 -3.290 15 HA CYS 3 HA CYS 3 8.027 2.609 -4.255 16 HB2 CYS 3 2HB CYS 3 5.808 1.022 -4.935 17 HB3 CYS 3 3HB CYS 3 6.115 2.037 -6.341 18 H VAL 4 H VAL 4 8.812 4.458 -4.995 19 HA VAL 4 HA VAL 4 7.005 6.272 -6.456 20 HB VAL 4 HB VAL 4 7.615 7.186 -4.237 21 HG11 VAL 4 1HG1 VAL 4 9.780 6.195 -3.919 22 HG12 VAL 4 2HG1 VAL 4 10.422 7.038 -5.330 23 HG13 VAL 4 3HG1 VAL 4 9.954 7.949 -3.893 24 HG21 VAL 4 1HG2 VAL 4 9.017 8.826 -6.315 25 HG22 VAL 4 2HG2 VAL 4 7.276 8.557 -6.400 26 HG23 VAL 4 3HG2 VAL 4 7.977 9.356 -4.992 27 H CYS 5 H CYS 5 7.877 7.404 -8.213 28 HA CYS 5 HA CYS 5 10.580 6.650 -9.067 29 HB2 CYS 5 2HB CYS 5 8.202 6.575 -10.929 30 HB3 CYS 5 3HB CYS 5 9.853 6.079 -11.285 31 H SER 6 H SER 6 11.653 8.177 -10.280 32 HA SER 6 HA SER 6 10.505 10.848 -10.199 33 HB2 SER 6 2HB SER 6 12.814 10.483 -9.394 34 HB3 SER 6 3HB SER 6 13.283 9.952 -11.010 35 HG SER 6 HG SER 6 13.316 11.960 -11.663 36 H GLY 7 H GLY 7 8.973 9.776 -11.939 37 HA2 GLY 7 2HA GLY 7 9.563 11.081 -14.398 38 HA3 GLY 7 3HA GLY 7 9.759 9.342 -14.557 39 H SER 8 H SER 8 7.968 8.017 -14.573 40 HA SER 8 HA SER 8 5.364 9.398 -14.571 41 HB2 SER 8 2HB SER 8 6.621 7.980 -16.685 42 HB3 SER 8 3HB SER 8 5.257 7.003 -16.141 43 HG SER 8 HG SER 8 3.886 8.669 -16.579 44 H THR 9 H THR 9 3.525 7.688 -14.398 45 HA THR 9 HA THR 9 3.925 6.323 -11.900 46 HB THR 9 HB THR 9 1.496 5.581 -12.328 47 HG1 THR 9 HG1 THR 9 0.638 6.173 -14.165 48 HG21 THR 9 1HG2 THR 9 1.175 8.418 -12.303 49 HG22 THR 9 2HG2 THR 9 2.627 8.002 -11.392 50 HG23 THR 9 3HG2 THR 9 1.077 7.284 -10.956 51 H ALA 10 H ALA 10 3.604 5.422 -15.273 52 HA ALA 10 HA ALA 10 3.130 2.681 -14.975 53 HB1 ALA 10 1HB ALA 10 4.722 2.950 -17.252 54 HB2 ALA 10 2HB ALA 10 2.960 2.956 -17.172 55 HB3 ALA 10 3HB ALA 10 3.851 4.477 -17.107 56 H VAL 11 H VAL 11 6.135 4.528 -14.959 57 HA VAL 11 HA VAL 11 7.788 2.168 -14.812 58 HB VAL 11 HB VAL 11 8.685 4.119 -15.926 59 HG11 VAL 11 1HG1 VAL 11 7.528 5.893 -14.821 60 HG12 VAL 11 2HG1 VAL 11 8.281 5.496 -13.276 61 HG13 VAL 11 3HG1 VAL 11 9.256 6.154 -14.591 62 HG21 VAL 11 1HG2 VAL 11 10.002 2.619 -14.029 63 HG22 VAL 11 2HG2 VAL 11 10.759 3.666 -15.229 64 HG23 VAL 11 3HG2 VAL 11 10.435 4.275 -13.606 65 H ALA 12 H ALS 12 6.338 4.432 -12.597 66 HB1 ALA 12 1HB ALS 12 6.303 5.809 -10.520 67 HB2 ALA 12 2HB ALS 12 4.985 4.641 -10.417 68 HB3 ALA 12 3HB ALS 12 6.073 4.867 -9.047 69 H ASN 13 H ASN 13 4.923 2.385 -11.397 70 HA ASN 13 HA ASN 13 5.004 0.492 -9.228 71 HB2 ASN 13 2HB ASN 13 2.945 -0.291 -10.012 72 HB3 ASN 13 3HB ASN 13 2.917 1.412 -10.461 73 HD21 ASN 13 1HD2 ASN 13 3.366 1.971 -12.654 74 HD22 ASN 13 2HD2 ASN 13 3.052 0.839 -13.921 75 H SER 14 H SER 14 6.126 0.648 -12.503 76 HA SER 14 HA SER 14 6.316 -2.012 -13.216 77 HB2 SER 14 2HB SER 14 6.883 -0.204 -14.756 78 HB3 SER 14 3HB SER 14 8.294 0.211 -13.782 79 HG SER 14 HG SER 14 7.914 -1.872 -15.568 80 H HIS 15 H HIS 15 8.406 -0.131 -11.098 81 HA HIS 15 HA HIS 15 10.170 -2.419 -10.691 82 HB2 HIS 15 2HB HIS 15 10.357 0.479 -10.296 83 HB3 HIS 15 3HB HIS 15 11.033 -0.455 -8.965 84 HD1 HIS 15 HD1 HIS 15 13.121 -1.907 -9.476 85 HD2 HIS 15 HD2 HIS 15 11.784 0.361 -12.690 86 HE1 HIS 15 HE1 HIS 15 14.981 -1.975 -11.167 87 H ASN 16 H NSS 16 8.463 -0.120 -8.556 88 HB2 ASN 16 2HB NSS 16 6.264 -2.043 -8.079 89 HB3 ASN 16 3HB NSS 16 6.892 -3.199 -6.908 90 HD21 ASN 16 1HD2 NSS 16 4.987 -0.276 -7.285 91 HD22 ASN 16 2HD2 NSS 16 4.067 -0.465 -5.835 92 H ALA 17 H ALA 17 7.414 -2.396 -4.663 93 HA ALA 17 HA ALA 17 9.885 -3.839 -4.416 94 HB1 ALA 17 1HB ALA 17 11.084 -2.426 -3.197 95 HB2 ALA 17 2HB ALA 17 9.837 -1.200 -3.436 96 HB3 ALA 17 3HB ALA 17 9.770 -2.265 -2.032 97 H GLY 18 H GLY 18 7.525 -2.417 -2.140 98 HA2 GLY 18 2HA GLY 18 5.882 -4.560 -1.722 99 HA3 GLY 18 3HA GLY 18 7.280 -4.899 -0.714 100 HA PRO 19 HA PRO 19 4.149 -2.076 1.443 101 HB2 PRO 19 2HB PRO 19 3.313 -3.851 3.318 102 HB3 PRO 19 3HB PRO 19 2.526 -3.673 1.745 103 HG2 PRO 19 2HG PRO 19 4.520 -5.717 2.645 104 HG3 PRO 19 3HG PRO 19 3.046 -5.939 1.684 105 HD2 PRO 19 2HD PRO 19 5.512 -5.841 0.569 106 HD3 PRO 19 3HD PRO 19 4.062 -5.245 -0.265 107 H ALA 20 H ALA 20 6.620 -4.336 2.461 108 HA ALA 20 HA ALA 20 7.185 -2.650 4.809 109 HB1 ALA 20 1HB ALA 20 6.860 -4.757 5.681 110 HB2 ALA 20 2HB ALA 20 7.568 -5.563 4.280 111 HB3 ALA 20 3HB ALA 20 8.608 -4.740 5.443 112 H TYR 21 H TYR 21 8.009 -2.258 1.949 113 HA TYR 21 HA TYR 21 10.887 -1.999 2.474 114 HB2 TYR 21 2HB TYR 21 9.678 -2.944 -0.134 115 HB3 TYR 21 3HB TYR 21 11.386 -2.630 0.150 116 HD1 TYR 21 HD1 TYR 21 8.590 -4.905 0.843 117 HD2 TYR 21 HD2 TYR 21 12.747 -4.189 1.396 118 HE1 TYR 21 HE1 TYR 21 8.885 -7.230 1.589 119 HE2 TYR 21 HE2 TYR 21 13.054 -6.512 2.143 120 HH TYR 21 HH TYR 21 11.830 -8.342 3.013 121 H CYS 22 H CYS 22 11.763 -0.089 1.890 122 HA CYS 22 HA CYS 22 9.992 1.828 0.524 123 HB2 CYS 22 2HB CYS 22 12.133 2.257 2.610 124 HB3 CYS 22 3HB CYS 22 11.412 3.574 1.689 125 H VAL 23 H VAL 23 10.579 2.363 -1.463 126 HA VAL 23 HA VAL 23 13.447 2.423 -2.128 127 HB VAL 23 HB VAL 23 11.248 1.399 -3.929 128 HG11 VAL 23 1HG1 VAL 23 14.096 2.105 -4.375 129 HG12 VAL 23 2HG1 VAL 23 13.462 0.678 -5.195 130 HG13 VAL 23 3HG1 VAL 23 12.710 2.252 -5.455 131 HG21 VAL 23 1HG2 VAL 23 12.271 -0.771 -3.697 132 HG22 VAL 23 2HG2 VAL 23 13.542 -0.104 -2.673 133 HG23 VAL 23 3HG2 VAL 23 11.876 -0.146 -2.096 134 H GLY 24 H GLY 24 14.135 4.175 -3.236 135 HA2 GLY 24 2HA GLY 24 12.089 5.981 -4.356 136 HA3 GLY 24 3HA GLY 24 13.340 6.600 -3.288 137 H TYR 25 H TYR 25 12.477 6.045 -6.471 138 HA TYR 25 HA TYR 25 15.061 5.594 -7.595 139 HB2 TYR 25 2HB TYR 25 12.851 5.043 -8.693 140 HB3 TYR 25 3HB TYR 25 12.655 6.766 -8.997 141 HD1 TYR 25 HD1 TYR 25 14.977 3.924 -9.633 142 HD2 TYR 25 HD2 TYR 25 13.552 7.719 -10.927 143 HE1 TYR 25 HE1 TYR 25 16.277 3.698 -11.709 144 HE2 TYR 25 HE2 TYR 25 14.847 7.502 -13.007 145 HH TYR 25 HH TYR 25 17.227 5.087 -13.447 146 H CYS 26 H CYS 26 16.655 7.021 -7.613 147 HA CYS 26 HA CYS 26 15.984 9.883 -7.832 148 HB2 CYS 26 2HB CYS 26 18.474 8.727 -6.569 149 HB3 CYS 26 3HB CYS 26 17.939 10.404 -6.534 150 H GLY 27 H GLY 27 18.628 7.577 -8.501 151 HA2 GLY 27 2HA GLY 27 19.650 7.247 -10.595 152 HA3 GLY 27 3HA GLY 27 18.906 8.733 -11.168 153 H ASN 28 H ASN 28 20.737 9.685 -11.971 154 HA ASN 28 HA ASN 28 22.999 10.070 -10.151 155 HB2 ASN 28 2HB ASN 28 22.684 10.414 -13.131 156 HB3 ASN 28 3HB ASN 28 24.098 11.003 -12.262 157 HD21 ASN 28 1HD2 ASN 28 22.665 8.377 -13.788 158 HD22 ASN 28 2HD2 ASN 28 23.793 7.158 -13.310 159 H ASN 29 H ASN 29 20.497 11.492 -9.776 160 HA ASN 29 HA ASN 29 20.922 14.196 -10.682 161 HB2 ASN 29 2HB ASN 29 18.903 12.977 -8.790 162 HB3 ASN 29 3HB ASN 29 18.927 14.684 -9.225 163 HD21 ASN 29 1HD2 ASN 29 16.935 12.545 -9.688 164 HD22 ASN 29 2HD2 ASN 29 16.648 12.554 -11.391 165 H GLY 30 H GLY 30 21.001 12.507 -7.549 166 HA2 GLY 30 2HA GLY 30 23.226 13.708 -6.499 167 HA3 GLY 30 3HA GLY 30 21.922 14.826 -6.132 168 H VAL 31 H VAL 31 22.827 14.177 -3.920 169 HA VAL 31 HA VAL 31 21.951 11.602 -2.936 170 HB VAL 31 HB VAL 31 23.013 13.930 -1.334 171 HG11 VAL 31 1HG1 VAL 31 23.682 12.123 0.240 172 HG12 VAL 31 2HG1 VAL 31 21.936 12.289 0.047 173 HG13 VAL 31 3HG1 VAL 31 22.794 10.978 -0.765 174 HG21 VAL 31 1HG2 VAL 31 24.357 12.100 -3.170 175 HG22 VAL 31 2HG2 VAL 31 24.915 13.623 -2.476 176 HG23 VAL 31 3HG2 VAL 31 25.066 12.126 -1.555 177 H VAL 32 H VAL 32 21.060 15.005 -2.462 178 HA VAL 32 HA VAL 32 19.108 14.729 -0.529 179 HB VAL 32 HB VAL 32 18.984 16.623 -2.880 180 HG11 VAL 32 1HG1 VAL 32 16.915 16.414 -1.514 181 HG12 VAL 32 2HG1 VAL 32 17.845 16.925 -0.104 182 HG13 VAL 32 3HG1 VAL 32 17.637 18.022 -1.471 183 HG21 VAL 32 1HG2 VAL 32 21.069 17.068 -1.982 184 HG22 VAL 32 2HG2 VAL 32 20.036 18.180 -1.084 185 HG23 VAL 32 3HG2 VAL 32 20.563 16.670 -0.340 186 H THR 33 H THR 33 18.629 14.685 -4.062 187 HA THR 33 HA THR 33 15.905 14.191 -4.100 188 HB THR 33 HB THR 33 17.408 12.729 -6.164 189 HG1 THR 33 HG1 THR 33 18.709 14.305 -6.727 190 HG21 THR 33 1HG2 THR 33 15.127 14.610 -5.943 191 HG22 THR 33 2HG2 THR 33 15.280 13.118 -6.871 192 HG23 THR 33 3HG2 THR 33 16.016 14.606 -7.465 193 H ARG 34 H RSS 34 18.570 11.836 -4.065 194 HB2 ARG 34 2HB RSS 34 19.507 9.410 -4.319 195 HB3 ARG 34 3HB RSS 34 19.649 10.114 -2.713 196 HG2 ARG 34 2HG RSS 34 18.121 7.619 -2.805 197 HG3 ARG 34 3HG RSS 34 19.814 7.464 -3.277 198 HD2 ARG 34 2HD RSS 34 19.134 9.016 -0.826 199 HD3 ARG 34 3HD RSS 34 19.077 7.256 -0.760 200 HE ARG 34 HE RSS 34 21.416 8.902 -0.874 201 HH11 ARG 34 1HH2 RSS 34 23.449 7.868 -0.845 202 HH12 ARG 34 2HH2 RSS 34 23.547 6.173 -1.184 203 HH21 ARG 34 1HH1 RSS 34 20.108 5.777 -1.677 204 HH22 ARG 34 2HH1 RSS 34 21.648 4.983 -1.658 205 H ASN 35 H ASN 35 17.489 11.662 -1.531 206 HA ASN 35 HA ASN 35 16.352 9.809 0.373 207 HB2 ASN 35 2HB ASN 35 17.092 12.734 0.565 208 HB3 ASN 35 3HB ASN 35 16.415 11.812 1.904 209 HD21 ASN 35 1HD2 ASN 35 19.203 12.884 0.550 210 HD22 ASN 35 2HD2 ASN 35 20.314 11.753 1.237 211 H ALA 36 H ALA 36 15.328 12.750 -1.320 212 HA ALA 36 HA ALA 36 12.855 13.151 -0.161 213 HB1 ALA 36 1HB ALA 36 12.831 14.796 -1.645 214 HB2 ALA 36 2HB ALA 36 14.227 14.083 -2.455 215 HB3 ALA 36 3HB ALA 36 12.595 13.635 -2.952 216 H ASN 37 H ASN 37 13.669 11.038 -2.901 217 HA ASN 37 HA ASN 37 11.038 10.136 -3.379 218 HB2 ASN 37 2HB ASN 37 13.728 8.918 -4.021 219 HB3 ASN 37 3HB ASN 37 12.201 8.228 -4.565 220 HD21 ASN 37 1HD2 ASN 37 11.323 8.970 -6.379 221 HD22 ASN 37 2HD2 ASN 37 11.865 10.357 -7.256 222 H ALA 38 H ALA 38 13.748 8.543 -1.692 223 HA ALA 38 HA ALA 38 12.389 6.279 -0.833 224 HB1 ALA 38 1HB ALA 38 14.122 6.074 0.883 225 HB2 ALA 38 2HB ALA 38 14.808 6.505 -0.685 226 HB3 ALA 38 3HB ALA 38 14.629 7.734 0.567 227 H ASN 39 H ASN 39 12.243 9.537 0.337 228 HA ASN 39 HA ASN 39 11.187 8.970 2.915 229 HB2 ASN 39 2HB ASN 39 11.615 11.359 1.242 230 HB3 ASN 39 3HB ASN 39 10.266 11.478 2.367 231 HD21 ASN 39 1HD2 ASN 39 13.390 12.197 2.027 232 HD22 ASN 39 2HD2 ASN 39 13.910 12.139 3.674 233 H VAL 40 H VAL 40 9.795 9.347 -0.265 234 HA VAL 40 HA VAL 40 7.084 9.567 0.661 235 HB VAL 40 HB VAL 40 8.139 8.922 -2.096 236 HG11 VAL 40 1HG1 VAL 40 5.899 9.599 -2.864 237 HG12 VAL 40 2HG1 VAL 40 5.850 8.166 -1.835 238 HG13 VAL 40 3HG1 VAL 40 5.382 9.738 -1.184 239 HG21 VAL 40 1HG2 VAL 40 8.757 11.062 -2.126 240 HG22 VAL 40 2HG2 VAL 40 7.042 11.472 -2.088 241 HG23 VAL 40 3HG2 VAL 40 7.962 11.386 -0.586 242 H ALA 41 H ALA 41 9.201 6.985 -0.424 243 HA ALA 41 HA ALA 41 7.092 5.019 -0.500 244 HB1 ALA 41 1HB ALA 41 10.085 4.685 -0.653 245 HB2 ALA 41 2HB ALA 41 8.892 3.422 -0.960 246 HB3 ALA 41 3HB ALA 41 8.981 4.828 -2.021 247 H LYS 42 H KSS 42 9.934 5.609 1.565 248 HB2 LYS 42 2HB KSS 42 10.994 4.762 4.862 249 HB3 LYS 42 3HB KSS 42 11.524 5.166 3.234 250 HG2 LYS 42 2HG KSS 42 11.496 7.257 4.070 251 HG3 LYS 42 3HG KSS 42 9.789 7.163 3.630 252 HD2 LYS 42 2HD KSS 42 9.632 7.904 5.799 253 HD3 LYS 42 3HD KSS 42 9.548 6.158 6.044 254 HE2 LYS 42 2HE KSS 42 12.192 6.458 6.170 255 HE3 LYS 42 3HE KSS 42 11.719 8.075 6.691 256 HZ1 LYS 42 1HZ KSS 42 11.370 5.513 8.034 257 HZ2 LYS 42 2HZ KSS 42 10.112 6.631 8.204 258 HZ3 LYS 42 3HZ KSS 42 11.680 7.044 8.685 259 H THR 43 H THR 43 7.844 6.554 3.070 260 HA THR 43 HA THR 43 6.568 6.330 5.655 261 HB THR 43 HB THR 43 6.001 8.205 3.350 262 HG1 THR 43 HG1 THR 43 7.676 8.307 5.610 263 HG21 THR 43 1HG2 THR 43 5.106 9.374 5.691 264 HG22 THR 43 2HG2 THR 43 4.593 7.694 5.844 265 HG23 THR 43 3HG2 THR 43 4.098 8.643 4.443 266 H ALA 44 H ALA 44 5.776 5.698 2.285 267 HA ALA 44 HA ALA 44 3.028 5.029 2.877 268 HB1 ALA 44 1HB ALA 44 4.352 4.324 0.297 269 HB2 ALA 44 2HB ALA 44 2.701 4.863 0.604 270 HB3 ALA 44 3HB ALA 44 4.033 6.016 0.681 Start of MODEL 15 1 H1 TRP 1 H TRP 1 2.529 0.494 1.229 2 HA TRP 1 HA TRP 1 3.353 -0.893 -1.074 3 HB2 TRP 1 2HB TRP 1 0.630 0.212 -1.129 4 HB3 TRP 1 3HB TRP 1 1.640 0.723 -2.479 5 HD1 TRP 1 HD1 TRP 1 0.820 -2.664 -0.741 6 HE1 TRP 1 HE1 TRP 1 0.544 -4.441 -2.582 7 HE3 TRP 1 HE3 TRP 1 1.799 0.245 -4.830 8 HZ2 TRP 1 HZ2 TRP 1 0.719 -4.590 -5.396 9 HZ3 TRP 1 HZ3 TRP 1 1.725 -0.792 -7.060 10 HH2 TRP 1 HH2 TRP 1 1.197 -3.160 -7.335 11 H GLY 2 H GLY 2 5.233 0.273 -0.532 12 HA2 GLY 2 2HA GLY 2 5.089 3.176 -1.057 13 HA3 GLY 2 3HA GLY 2 6.299 2.409 -0.039 14 H CYS 3 H CYS 3 5.433 3.344 -3.223 15 HA CYS 3 HA CYS 3 8.104 2.640 -4.150 16 HB2 CYS 3 2HB CYS 3 5.946 1.011 -4.793 17 HB3 CYS 3 3HB CYS 3 6.131 2.043 -6.207 18 H VAL 4 H VAL 4 8.908 4.494 -4.859 19 HA VAL 4 HA VAL 4 7.155 6.281 -6.419 20 HB VAL 4 HB VAL 4 7.699 7.244 -4.211 21 HG11 VAL 4 1HG1 VAL 4 10.541 7.004 -5.187 22 HG12 VAL 4 2HG1 VAL 4 10.045 7.988 -3.808 23 HG13 VAL 4 3HG1 VAL 4 9.828 6.238 -3.768 24 HG21 VAL 4 1HG2 VAL 4 7.326 8.677 -6.189 25 HG22 VAL 4 2HG2 VAL 4 8.414 9.412 -5.011 26 HG23 VAL 4 3HG2 VAL 4 9.066 8.688 -6.481 27 H CYS 5 H CYS 5 8.080 7.373 -8.173 28 HA CYS 5 HA CYS 5 10.795 6.568 -8.945 29 HB2 CYS 5 2HB CYS 5 8.479 6.548 -10.883 30 HB3 CYS 5 3HB CYS 5 10.121 5.980 -11.166 31 H SER 6 H SER 6 11.905 8.036 -10.237 32 HA SER 6 HA SER 6 10.803 10.740 -10.194 33 HB2 SER 6 2HB SER 6 13.015 10.519 -9.251 34 HB3 SER 6 3HB SER 6 13.602 9.708 -10.703 35 HG SER 6 HG SER 6 13.485 12.327 -10.186 36 H GLY 7 H GLY 7 9.324 9.807 -11.983 37 HA2 GLY 7 2HA GLY 7 10.089 11.005 -14.430 38 HA3 GLY 7 3HA GLY 7 10.242 9.259 -14.555 39 H SER 8 H SER 8 8.388 7.963 -14.482 40 HA SER 8 HA SER 8 5.841 9.426 -14.707 41 HB2 SER 8 2HB SER 8 7.127 8.037 -16.757 42 HB3 SER 8 3HB SER 8 5.871 6.932 -16.198 43 HG SER 8 HG SER 8 5.516 8.879 -17.829 44 H THR 9 H THR 9 3.935 7.824 -14.527 45 HA THR 9 HA THR 9 4.200 6.497 -11.990 46 HB THR 9 HB THR 9 1.707 5.805 -12.821 47 HG1 THR 9 HG1 THR 9 1.897 6.895 -14.804 48 HG21 THR 9 1HG2 THR 9 1.208 8.275 -11.836 49 HG22 THR 9 2HG2 THR 9 2.873 8.046 -11.300 50 HG23 THR 9 3HG2 THR 9 1.629 6.885 -10.836 51 H ALA 10 H ALA 10 3.998 5.548 -15.348 52 HA ALA 10 HA ALA 10 3.356 2.833 -14.996 53 HB1 ALA 10 1HB ALA 10 4.924 4.170 -17.197 54 HB2 ALA 10 2HB ALA 10 4.287 2.526 -17.258 55 HB3 ALA 10 3HB ALA 10 3.182 3.897 -17.160 56 H VAL 11 H VAL 11 6.420 4.562 -14.921 57 HA VAL 11 HA VAL 11 7.987 2.144 -14.736 58 HB VAL 11 HB VAL 11 8.947 4.099 -15.829 59 HG11 VAL 11 1HG1 VAL 11 8.667 5.408 -13.128 60 HG12 VAL 11 2HG1 VAL 11 9.607 6.069 -14.467 61 HG13 VAL 11 3HG1 VAL 11 7.861 5.874 -14.625 62 HG21 VAL 11 1HG2 VAL 11 10.767 4.158 -13.602 63 HG22 VAL 11 2HG2 VAL 11 10.182 2.517 -13.878 64 HG23 VAL 11 3HG2 VAL 11 10.961 3.408 -15.186 65 H ALA 12 H ALS 12 6.577 4.474 -12.559 66 HB1 ALA 12 1HB ALS 12 5.166 4.705 -10.393 67 HB2 ALA 12 2HB ALS 12 6.249 4.932 -9.019 68 HB3 ALA 12 3HB ALS 12 6.507 5.845 -10.505 69 H ASN 13 H ASN 13 5.081 2.451 -11.406 70 HA ASN 13 HA ASN 13 5.046 0.568 -9.226 71 HB2 ASN 13 2HB ASN 13 3.007 -0.211 -10.114 72 HB3 ASN 13 3HB ASN 13 3.006 1.516 -10.461 73 HD21 ASN 13 1HD2 ASN 13 3.497 2.203 -12.602 74 HD22 ASN 13 2HD2 ASN 13 3.213 1.151 -13.943 75 H SER 14 H SER 14 6.267 0.681 -12.468 76 HA SER 14 HA SER 14 6.409 -1.987 -13.163 77 HB2 SER 14 2HB SER 14 7.071 -0.368 -14.777 78 HB3 SER 14 3HB SER 14 8.310 0.294 -13.711 79 HG SER 14 HG SER 14 9.427 -0.999 -15.047 80 H HIS 15 H HIS 15 8.593 -0.123 -11.098 81 HA HIS 15 HA HIS 15 10.242 -2.465 -10.595 82 HB2 HIS 15 2HB HIS 15 10.581 0.391 -10.393 83 HB3 HIS 15 3HB HIS 15 11.010 -0.378 -8.868 84 HD1 HIS 15 HD1 HIS 15 12.968 -2.146 -8.960 85 HD2 HIS 15 HD2 HIS 15 12.387 0.040 -12.445 86 HE1 HIS 15 HE1 HIS 15 15.051 -2.492 -10.326 87 H ASN 16 H NSS 16 8.580 -0.086 -8.515 88 HB2 ASN 16 2HB NSS 16 6.306 -1.925 -8.052 89 HB3 ASN 16 3HB NSS 16 6.875 -3.089 -6.859 90 HD21 ASN 16 1HD2 NSS 16 5.004 -0.178 -7.352 91 HD22 ASN 16 2HD2 NSS 16 4.086 -0.291 -5.894 92 H ALA 17 H ALA 17 7.391 -2.280 -4.614 93 HA ALA 17 HA ALA 17 9.817 -3.793 -4.313 94 HB1 ALA 17 1HB ALA 17 9.490 -1.972 -2.026 95 HB2 ALA 17 2HB ALA 17 10.955 -2.573 -2.803 96 HB3 ALA 17 3HB ALA 17 10.068 -1.226 -3.516 97 H GLY 18 H GLY 18 7.351 -2.315 -2.187 98 HA2 GLY 18 2HA GLY 18 5.657 -4.376 -1.770 99 HA3 GLY 18 3HA GLY 18 7.028 -4.812 -0.761 100 HA PRO 19 HA PRO 19 4.034 -1.921 1.476 101 HB2 PRO 19 2HB PRO 19 3.199 -3.695 3.354 102 HB3 PRO 19 3HB PRO 19 2.386 -3.489 1.798 103 HG2 PRO 19 2HG PRO 19 4.356 -5.578 2.642 104 HG3 PRO 19 3HG PRO 19 2.860 -5.764 1.708 105 HD2 PRO 19 2HD PRO 19 5.305 -5.704 0.546 106 HD3 PRO 19 3HD PRO 19 3.852 -5.074 -0.255 107 H ALA 20 H ALA 20 6.323 -4.368 2.593 108 HA ALA 20 HA ALA 20 7.030 -2.652 4.872 109 HB1 ALA 20 1HB ALA 20 7.634 -5.562 4.361 110 HB2 ALA 20 2HB ALA 20 8.175 -4.647 5.769 111 HB3 ALA 20 3HB ALA 20 6.452 -4.911 5.497 112 H TYR 21 H TYR 21 7.853 -2.315 2.004 113 HA TYR 21 HA TYR 21 10.743 -2.185 2.508 114 HB2 TYR 21 2HB TYR 21 9.404 -3.198 -0.003 115 HB3 TYR 21 3HB TYR 21 11.105 -2.757 0.083 116 HD1 TYR 21 HD1 TYR 21 12.673 -4.369 0.663 117 HD2 TYR 21 HD2 TYR 21 8.596 -4.986 1.711 118 HE1 TYR 21 HE1 TYR 21 13.225 -6.633 1.449 119 HE2 TYR 21 HE2 TYR 21 9.136 -7.251 2.501 120 HH TYR 21 HH TYR 21 12.076 -8.289 3.243 121 H CYS 22 H CYS 22 11.707 -0.323 1.901 122 HA CYS 22 HA CYS 22 10.018 1.668 0.535 123 HB2 CYS 22 2HB CYS 22 12.160 2.005 2.636 124 HB3 CYS 22 3HB CYS 22 11.523 3.352 1.698 125 H VAL 23 H VAL 23 10.697 2.460 -1.350 126 HA VAL 23 HA VAL 23 13.544 2.336 -2.029 127 HB VAL 23 HB VAL 23 11.377 1.339 -3.882 128 HG11 VAL 23 1HG1 VAL 23 13.408 0.565 -5.198 129 HG12 VAL 23 2HG1 VAL 23 13.078 2.299 -5.199 130 HG13 VAL 23 3HG1 VAL 23 14.353 1.643 -4.171 131 HG21 VAL 23 1HG2 VAL 23 12.578 -0.857 -3.606 132 HG22 VAL 23 2HG2 VAL 23 13.426 -0.134 -2.239 133 HG23 VAL 23 3HG2 VAL 23 11.671 -0.309 -2.196 134 H GLY 24 H GLY 24 14.261 4.065 -3.156 135 HA2 GLY 24 2HA GLY 24 12.233 5.897 -4.273 136 HA3 GLY 24 3HA GLY 24 13.543 6.494 -3.265 137 H TYR 25 H TYR 25 12.541 5.926 -6.401 138 HA TYR 25 HA TYR 25 15.140 5.465 -7.560 139 HB2 TYR 25 2HB TYR 25 12.706 4.854 -8.447 140 HB3 TYR 25 3HB TYR 25 12.852 6.434 -9.208 141 HD1 TYR 25 HD1 TYR 25 14.015 6.668 -11.220 142 HD2 TYR 25 HD2 TYR 25 14.582 3.156 -8.887 143 HE1 TYR 25 HE1 TYR 25 15.323 5.672 -13.049 144 HE2 TYR 25 HE2 TYR 25 15.893 2.150 -10.709 145 HH TYR 25 HH TYR 25 15.992 2.482 -13.305 146 H CYS 26 H CYS 26 16.578 7.070 -7.408 147 HA CYS 26 HA CYS 26 15.691 9.832 -7.842 148 HB2 CYS 26 2HB CYS 26 18.383 8.875 -6.855 149 HB3 CYS 26 3HB CYS 26 17.761 10.521 -6.814 150 H GLY 27 H GLY 27 18.036 7.441 -8.989 151 HA2 GLY 27 2HA GLY 27 18.903 7.205 -11.127 152 HA3 GLY 27 3HA GLY 27 18.036 8.657 -11.605 153 H ASN 28 H ASN 28 19.236 10.374 -12.060 154 HA ASN 28 HA ASN 28 21.846 10.663 -10.737 155 HB2 ASN 28 2HB ASN 28 21.246 10.865 -13.687 156 HB3 ASN 28 3HB ASN 28 22.686 11.579 -12.968 157 HD21 ASN 28 1HD2 ASN 28 20.965 8.572 -13.516 158 HD22 ASN 28 2HD2 ASN 28 22.347 7.542 -13.395 159 H ASN 29 H ASN 29 21.243 12.312 -9.400 160 HA ASN 29 HA ASN 29 20.882 14.903 -10.642 161 HB2 ASN 29 2HB ASN 29 18.828 13.813 -8.703 162 HB3 ASN 29 3HB ASN 29 18.886 15.468 -9.302 163 HD21 ASN 29 1HD2 ASN 29 17.750 12.341 -9.834 164 HD22 ASN 29 2HD2 ASN 29 17.100 12.579 -11.417 165 H GLY 30 H GLY 30 20.577 13.326 -7.449 166 HA2 GLY 30 2HA GLY 30 22.956 14.375 -6.397 167 HA3 GLY 30 3HA GLY 30 21.649 15.474 -5.983 168 H VAL 31 H VAL 31 22.940 14.393 -3.926 169 HA VAL 31 HA VAL 31 21.947 11.890 -3.036 170 HB VAL 31 HB VAL 31 22.976 14.136 -1.301 171 HG11 VAL 31 1HG1 VAL 31 21.918 12.348 -0.056 172 HG12 VAL 31 2HG1 VAL 31 22.886 11.145 -0.911 173 HG13 VAL 31 3HG1 VAL 31 23.665 12.291 0.181 174 HG21 VAL 31 1HG2 VAL 31 25.177 12.901 -1.532 175 HG22 VAL 31 2HG2 VAL 31 24.457 12.070 -2.911 176 HG23 VAL 31 3HG2 VAL 31 24.648 13.823 -2.940 177 H VAL 32 H VAL 32 20.935 15.233 -2.485 178 HA VAL 32 HA VAL 32 19.034 14.843 -0.507 179 HB VAL 32 HB VAL 32 18.903 16.800 -2.805 180 HG11 VAL 32 1HG1 VAL 32 17.050 16.227 -0.703 181 HG12 VAL 32 2HG1 VAL 32 17.714 17.847 -0.478 182 HG13 VAL 32 3HG1 VAL 32 16.929 17.417 -1.998 183 HG21 VAL 32 1HG2 VAL 32 19.864 17.368 -0.019 184 HG22 VAL 32 2HG2 VAL 32 20.958 16.788 -1.275 185 HG23 VAL 32 3HG2 VAL 32 20.105 18.317 -1.487 186 H THR 33 H THR 33 18.539 14.820 -4.035 187 HA THR 33 HA THR 33 15.820 14.248 -4.048 188 HB THR 33 HB THR 33 17.411 12.924 -6.160 189 HG1 THR 33 HG1 THR 33 18.624 14.600 -6.567 190 HG21 THR 33 1HG2 THR 33 14.972 13.247 -6.304 191 HG22 THR 33 2HG2 THR 33 15.826 14.076 -7.606 192 HG23 THR 33 3HG2 THR 33 15.212 14.993 -6.231 193 H ARG 34 H RSS 34 18.571 11.994 -4.125 194 HB2 ARG 34 2HB RSS 34 19.590 9.612 -4.466 195 HB3 ARG 34 3HB RSS 34 19.740 10.277 -2.844 196 HG2 ARG 34 2HG RSS 34 18.323 7.704 -3.046 197 HG3 ARG 34 3HG RSS 34 20.045 7.675 -3.434 198 HD2 ARG 34 2HD RSS 34 20.598 8.622 -1.296 199 HD3 ARG 34 3HD RSS 34 18.894 8.872 -0.919 200 HE ARG 34 HE RSS 34 18.722 6.655 -0.341 201 HH11 ARG 34 1HH2 RSS 34 19.547 4.584 0.143 202 HH12 ARG 34 2HH2 RSS 34 21.123 4.142 -0.420 203 HH21 ARG 34 1HH1 RSS 34 21.734 7.201 -2.000 204 HH22 ARG 34 2HH1 RSS 34 22.369 5.630 -1.638 205 H ASN 35 H ASN 35 17.580 11.697 -1.563 206 HA ASN 35 HA ASN 35 16.527 9.754 0.298 207 HB2 ASN 35 2HB ASN 35 17.138 12.700 0.615 208 HB3 ASN 35 3HB ASN 35 16.629 11.637 1.924 209 HD21 ASN 35 1HD2 ASN 35 19.204 13.128 0.811 210 HD22 ASN 35 2HD2 ASN 35 20.449 11.994 1.200 211 H ALA 36 H ALA 36 15.401 12.725 -1.272 212 HA ALA 36 HA ALA 36 12.951 13.038 -0.043 213 HB1 ALA 36 1HB ALA 36 14.080 14.521 -1.787 214 HB2 ALA 36 2HB ALA 36 13.314 13.483 -2.990 215 HB3 ALA 36 3HB ALA 36 12.322 14.392 -1.849 216 H ASN 37 H ASN 37 13.786 10.956 -2.787 217 HA ASN 37 HA ASN 37 11.162 10.042 -3.296 218 HB2 ASN 37 2HB ASN 37 13.874 8.874 -3.932 219 HB3 ASN 37 3HB ASN 37 12.367 8.133 -4.462 220 HD21 ASN 37 1HD2 ASN 37 11.660 8.702 -6.382 221 HD22 ASN 37 2HD2 ASN 37 12.078 10.145 -7.235 222 H ALA 38 H ALA 38 13.873 8.442 -1.617 223 HA ALA 38 HA ALA 38 12.498 6.181 -0.763 224 HB1 ALA 38 1HB ALA 38 14.241 6.067 1.038 225 HB2 ALA 38 2HB ALA 38 14.870 6.228 -0.602 226 HB3 ALA 38 3HB ALA 38 14.833 7.629 0.469 227 H ASN 39 H ASN 39 12.396 9.434 0.421 228 HA ASN 39 HA ASN 39 11.363 8.859 3.010 229 HB2 ASN 39 2HB ASN 39 12.381 10.987 2.708 230 HB3 ASN 39 3HB ASN 39 11.377 11.350 1.308 231 HD21 ASN 39 1HD2 ASN 39 10.108 12.979 1.818 232 HD22 ASN 39 2HD2 ASN 39 9.184 13.131 3.270 233 H VAL 40 H VAL 40 9.939 9.352 -0.149 234 HA VAL 40 HA VAL 40 7.243 9.560 0.825 235 HB VAL 40 HB VAL 40 8.165 8.952 -1.987 236 HG11 VAL 40 1HG1 VAL 40 5.837 8.449 -1.680 237 HG12 VAL 40 2HG1 VAL 40 5.563 9.996 -0.877 238 HG13 VAL 40 3HG1 VAL 40 5.972 9.951 -2.593 239 HG21 VAL 40 1HG2 VAL 40 9.025 11.008 -1.996 240 HG22 VAL 40 2HG2 VAL 40 7.371 11.607 -1.866 241 HG23 VAL 40 3HG2 VAL 40 8.342 11.378 -0.412 242 H ALA 41 H ALA 41 9.346 7.003 -0.300 243 HA ALA 41 HA ALA 41 7.215 5.059 -0.483 244 HB1 ALA 41 1HB ALA 41 9.051 3.458 -0.932 245 HB2 ALA 41 2HB ALA 41 9.061 4.853 -2.013 246 HB3 ALA 41 3HB ALA 41 10.208 4.765 -0.676 247 H LYS 42 H KSS 42 10.047 5.558 1.619 248 HB2 LYS 42 2HB KSS 42 11.073 4.610 4.897 249 HB3 LYS 42 3HB KSS 42 11.612 5.090 3.294 250 HG2 LYS 42 2HG KSS 42 10.340 7.173 3.497 251 HG3 LYS 42 3HG KSS 42 9.828 6.692 5.117 252 HD2 LYS 42 2HD KSS 42 12.719 6.960 4.314 253 HD3 LYS 42 3HD KSS 42 11.783 8.286 5.009 254 HE2 LYS 42 2HE KSS 42 12.560 7.478 6.961 255 HE3 LYS 42 3HE KSS 42 11.247 6.316 6.781 256 HZ1 LYS 42 1HZ KSS 42 12.729 4.694 6.706 257 HZ2 LYS 42 2HZ KSS 42 13.986 5.806 6.914 258 HZ3 LYS 42 3HZ KSS 42 13.478 5.386 5.356 259 H THR 43 H THR 43 7.964 6.476 3.185 260 HA THR 43 HA THR 43 6.646 6.124 5.728 261 HB THR 43 HB THR 43 5.995 8.063 3.500 262 HG1 THR 43 HG1 THR 43 8.111 8.360 4.352 263 HG21 THR 43 1HG2 THR 43 5.233 8.076 6.423 264 HG22 THR 43 2HG2 THR 43 4.148 7.730 5.076 265 HG23 THR 43 3HG2 THR 43 4.854 9.337 5.251 266 H ALA 44 H ALA 44 5.893 5.609 2.328 267 HA ALA 44 HA ALA 44 3.133 5.005 2.752 268 HB1 ALA 44 1HB ALA 44 3.648 5.750 0.597 269 HB2 ALA 44 2HB ALA 44 5.008 4.638 0.438 270 HB3 ALA 44 3HB ALA 44 3.355 4.022 0.400 Start of MODEL 16 1 H1 TRP 1 H TRP 1 1.334 -0.451 1.111 2 HA TRP 1 HA TRP 1 3.086 -1.001 -0.253 3 HB2 TRP 1 2HB TRP 1 2.858 -0.893 -2.681 4 HB3 TRP 1 3HB TRP 1 1.423 -1.622 -1.965 5 HD1 TRP 1 HD1 TRP 1 -0.804 -0.002 -1.840 6 HE1 TRP 1 HE1 TRP 1 -1.561 1.866 -3.441 7 HE3 TRP 1 HE3 TRP 1 3.641 0.893 -4.203 8 HZ2 TRP 1 HZ2 TRP 1 -0.425 3.502 -5.441 9 HZ3 TRP 1 HZ3 TRP 1 3.720 2.625 -5.949 10 HH2 TRP 1 HH2 TRP 1 1.729 3.901 -6.554 11 H GLY 2 H GLY 2 4.926 0.051 -1.112 12 HA2 GLY 2 2HA GLY 2 4.737 2.978 -1.348 13 HA3 GLY 2 3HA GLY 2 5.894 2.276 -0.226 14 H CYS 3 H CYS 3 5.207 3.056 -3.502 15 HA CYS 3 HA CYS 3 7.949 2.334 -4.225 16 HB2 CYS 3 2HB CYS 3 5.714 0.847 -5.075 17 HB3 CYS 3 3HB CYS 3 6.202 1.818 -6.461 18 H VAL 4 H VAL 4 8.864 4.159 -4.871 19 HA VAL 4 HA VAL 4 7.263 6.044 -6.478 20 HB VAL 4 HB VAL 4 7.815 6.954 -4.253 21 HG11 VAL 4 1HG1 VAL 4 10.202 7.552 -3.802 22 HG12 VAL 4 2HG1 VAL 4 9.857 5.822 -3.751 23 HG13 VAL 4 3HG1 VAL 4 10.656 6.522 -5.159 24 HG21 VAL 4 1HG2 VAL 4 8.673 9.078 -5.009 25 HG22 VAL 4 2HG2 VAL 4 9.339 8.333 -6.462 26 HG23 VAL 4 3HG2 VAL 4 7.592 8.420 -6.238 27 H CYS 5 H CYS 5 8.278 7.084 -8.210 28 HA CYS 5 HA CYS 5 10.976 6.187 -8.918 29 HB2 CYS 5 2HB CYS 5 8.688 6.136 -10.891 30 HB3 CYS 5 3HB CYS 5 10.335 5.567 -11.148 31 H SER 6 H SER 6 12.148 7.615 -10.181 32 HA SER 6 HA SER 6 11.127 10.338 -10.199 33 HB2 SER 6 2HB SER 6 13.354 10.094 -9.341 34 HB3 SER 6 3HB SER 6 13.861 9.173 -10.757 35 HG SER 6 HG SER 6 13.885 11.819 -10.393 36 H GLY 7 H GLY 7 9.533 9.584 -11.907 37 HA2 GLY 7 2HA GLY 7 10.243 10.686 -14.393 38 HA3 GLY 7 3HA GLY 7 10.343 8.935 -14.517 39 H SER 8 H SER 8 8.403 7.696 -13.985 40 HA SER 8 HA SER 8 5.896 9.190 -14.104 41 HB2 SER 8 2HB SER 8 6.978 8.170 -16.422 42 HB3 SER 8 3HB SER 8 5.886 6.883 -15.913 43 HG SER 8 HG SER 8 5.033 8.704 -17.269 44 H THR 9 H THR 9 4.001 7.526 -14.044 45 HA THR 9 HA THR 9 4.378 5.964 -11.673 46 HB THR 9 HB THR 9 1.931 5.860 -13.424 47 HG1 THR 9 HG1 THR 9 1.241 7.753 -12.484 48 HG21 THR 9 1HG2 THR 9 1.325 6.022 -10.679 49 HG22 THR 9 2HG2 THR 9 2.655 4.873 -10.828 50 HG23 THR 9 3HG2 THR 9 1.166 4.621 -11.738 51 H ALA 10 H ALA 10 3.919 5.266 -15.101 52 HA ALA 10 HA ALA 10 3.480 2.538 -15.018 53 HB1 ALA 10 1HB ALA 10 3.455 4.039 -17.042 54 HB2 ALA 10 2HB ALA 10 5.212 3.880 -17.080 55 HB3 ALA 10 3HB ALA 10 4.194 2.454 -17.275 56 H VAL 11 H VAL 11 6.539 4.301 -14.838 57 HA VAL 11 HA VAL 11 8.097 1.868 -14.727 58 HB VAL 11 HB VAL 11 9.086 3.790 -15.815 59 HG11 VAL 11 1HG1 VAL 11 8.005 5.608 -14.721 60 HG12 VAL 11 2HG1 VAL 11 8.692 5.157 -13.160 61 HG13 VAL 11 3HG1 VAL 11 9.736 5.782 -14.437 62 HG21 VAL 11 1HG2 VAL 11 10.826 3.867 -13.491 63 HG22 VAL 11 2HG2 VAL 11 10.319 2.227 -13.897 64 HG23 VAL 11 3HG2 VAL 11 11.126 3.225 -15.106 65 H ALA 12 H ALS 12 6.704 4.152 -12.504 66 HB1 ALA 12 1HB ALS 12 5.358 4.416 -10.308 67 HB2 ALA 12 2HB ALS 12 6.472 4.599 -8.952 68 HB3 ALA 12 3HB ALS 12 6.728 5.521 -10.434 69 H ASN 13 H ASN 13 5.207 2.172 -11.370 70 HA ASN 13 HA ASN 13 5.114 0.279 -9.206 71 HB2 ASN 13 2HB ASN 13 3.059 -0.416 -10.082 72 HB3 ASN 13 3HB ASN 13 3.126 1.287 -10.527 73 HD21 ASN 13 1HD2 ASN 13 3.659 1.834 -12.694 74 HD22 ASN 13 2HD2 ASN 13 3.365 0.716 -13.978 75 H SER 14 H SER 14 6.370 0.368 -12.438 76 HA SER 14 HA SER 14 6.474 -2.304 -13.126 77 HB2 SER 14 2HB SER 14 8.233 0.044 -13.724 78 HB3 SER 14 3HB SER 14 8.751 -1.564 -14.229 79 HG SER 14 HG SER 14 7.511 -1.169 -15.884 80 H HIS 15 H HIS 15 8.619 -0.480 -10.997 81 HA HIS 15 HA HIS 15 10.254 -2.835 -10.496 82 HB2 HIS 15 2HB HIS 15 10.474 0.072 -9.905 83 HB3 HIS 15 3HB HIS 15 11.279 -1.039 -8.801 84 HD1 HIS 15 HD1 HIS 15 11.280 -0.014 -12.434 85 HD2 HIS 15 HD2 HIS 15 13.640 -2.099 -9.723 86 HE1 HIS 15 HE1 HIS 15 13.453 -0.445 -13.626 87 H ASN 16 H NSS 16 8.519 -0.473 -8.456 88 HB2 ASN 16 2HB NSS 16 6.272 -2.356 -8.041 89 HB3 ASN 16 3HB NSS 16 6.834 -3.502 -6.828 90 HD21 ASN 16 1HD2 NSS 16 4.914 -0.637 -7.388 91 HD22 ASN 16 2HD2 NSS 16 3.962 -0.760 -5.951 92 H ALA 17 H ALA 17 7.276 -2.672 -4.575 93 HA ALA 17 HA ALA 17 9.676 -4.184 -4.202 94 HB1 ALA 17 1HB ALA 17 9.291 -2.018 -2.168 95 HB2 ALA 17 2HB ALA 17 10.711 -3.019 -2.474 96 HB3 ALA 17 3HB ALA 17 10.266 -1.749 -3.613 97 H GLY 18 H GLY 18 7.135 -2.581 -2.265 98 HA2 GLY 18 2HA GLY 18 5.430 -4.547 -1.708 99 HA3 GLY 18 3HA GLY 18 6.792 -5.014 -0.700 100 HA PRO 19 HA PRO 19 3.940 -1.893 1.442 101 HB2 PRO 19 2HB PRO 19 2.898 -3.578 3.298 102 HB3 PRO 19 3HB PRO 19 2.152 -3.309 1.718 103 HG2 PRO 19 2HG PRO 19 3.906 -5.559 2.626 104 HG3 PRO 19 3HG PRO 19 2.428 -5.617 1.648 105 HD2 PRO 19 2HD PRO 19 4.902 -5.778 0.559 106 HD3 PRO 19 3HD PRO 19 3.534 -5.026 -0.286 107 H ALA 20 H ALA 20 6.186 -4.374 2.432 108 HA ALA 20 HA ALA 20 6.869 -2.807 4.830 109 HB1 ALA 20 1HB ALA 20 7.848 -5.594 4.421 110 HB2 ALA 20 2HB ALA 20 7.496 -4.731 5.919 111 HB3 ALA 20 3HB ALA 20 6.175 -5.328 4.914 112 H TYR 21 H TYR 21 7.739 -2.396 1.986 113 HA TYR 21 HA TYR 21 10.615 -2.316 2.546 114 HB2 TYR 21 2HB TYR 21 9.314 -3.454 0.076 115 HB3 TYR 21 3HB TYR 21 10.984 -2.900 0.085 116 HD1 TYR 21 HD1 TYR 21 12.710 -4.179 1.156 117 HD2 TYR 21 HD2 TYR 21 8.646 -5.413 1.414 118 HE1 TYR 21 HE1 TYR 21 13.435 -6.365 2.019 119 HE2 TYR 21 HE2 TYR 21 9.360 -7.602 2.279 120 HH TYR 21 HH TYR 21 11.078 -8.912 2.783 121 H CYS 22 H CYS 22 11.583 -0.456 1.965 122 HA CYS 22 HA CYS 22 9.944 1.511 0.510 123 HB2 CYS 22 2HB CYS 22 12.094 1.894 2.598 124 HB3 CYS 22 3HB CYS 22 11.408 3.214 1.658 125 H VAL 23 H VAL 23 10.669 2.322 -1.356 126 HA VAL 23 HA VAL 23 13.514 2.080 -2.020 127 HB VAL 23 HB VAL 23 11.301 1.220 -3.888 128 HG11 VAL 23 1HG1 VAL 23 13.066 2.172 -5.160 129 HG12 VAL 23 2HG1 VAL 23 14.293 1.346 -4.198 130 HG13 VAL 23 3HG1 VAL 23 13.243 0.422 -5.272 131 HG21 VAL 23 1HG2 VAL 23 11.567 -0.453 -2.200 132 HG22 VAL 23 2HG2 VAL 23 12.364 -1.032 -3.663 133 HG23 VAL 23 3HG2 VAL 23 13.324 -0.384 -2.333 134 H GLY 24 H GLY 24 14.324 3.748 -3.201 135 HA2 GLY 24 2HA GLY 24 12.398 5.720 -4.254 136 HA3 GLY 24 3HA GLY 24 13.743 6.229 -3.243 137 H TYR 25 H TYR 25 12.699 5.728 -6.386 138 HA TYR 25 HA TYR 25 15.336 5.260 -7.508 139 HB2 TYR 25 2HB TYR 25 12.991 4.416 -8.381 140 HB3 TYR 25 3HB TYR 25 12.968 5.980 -9.186 141 HD1 TYR 25 HD1 TYR 25 15.498 3.276 -8.625 142 HD2 TYR 25 HD2 TYR 25 13.611 5.901 -11.391 143 HE1 TYR 25 HE1 TYR 25 16.886 2.356 -10.435 144 HE2 TYR 25 HE2 TYR 25 14.993 4.988 -13.209 145 HH TYR 25 HH TYR 25 16.936 2.166 -12.802 146 H CYS 26 H CYS 26 16.675 6.953 -7.451 147 HA CYS 26 HA CYS 26 15.940 9.359 -8.874 148 HB2 CYS 26 2HB CYS 26 16.723 10.823 -6.956 149 HB3 CYS 26 3HB CYS 26 15.152 10.056 -6.742 150 H GLY 27 H GLY 27 17.603 9.796 -10.154 151 HA2 GLY 27 2HA GLY 27 20.317 9.692 -9.098 152 HA3 GLY 27 3HA GLY 27 19.964 8.600 -10.429 153 H ASN 28 H ASN 28 21.929 10.503 -10.673 154 HA ASN 28 HA ASN 28 22.685 12.123 -12.079 155 HB2 ASN 28 2HB ASN 28 20.776 10.693 -13.520 156 HB3 ASN 28 3HB ASN 28 20.338 12.379 -13.778 157 HD21 ASN 28 1HD2 ASN 28 23.326 10.469 -13.568 158 HD22 ASN 28 2HD2 ASN 28 24.050 11.136 -14.988 159 H ASN 29 H ASN 29 20.980 12.781 -9.742 160 HA ASN 29 HA ASN 29 20.279 15.515 -10.564 161 HB2 ASN 29 2HB ASN 29 18.667 13.697 -8.763 162 HB3 ASN 29 3HB ASN 29 18.381 15.428 -8.922 163 HD21 ASN 29 1HD2 ASN 29 17.349 12.512 -9.915 164 HD22 ASN 29 2HD2 ASN 29 16.655 12.936 -11.440 165 H GLY 30 H GLY 30 20.230 13.730 -7.480 166 HA2 GLY 30 2HA GLY 30 22.599 14.841 -6.440 167 HA3 GLY 30 3HA GLY 30 21.244 15.848 -5.952 168 H VAL 31 H VAL 31 22.889 14.464 -4.144 169 HA VAL 31 HA VAL 31 21.945 11.978 -3.308 170 HB VAL 31 HB VAL 31 22.968 14.156 -1.485 171 HG11 VAL 31 1HG1 VAL 31 23.944 11.932 -0.434 172 HG12 VAL 31 2HG1 VAL 31 22.323 12.509 -0.042 173 HG13 VAL 31 3HG1 VAL 31 22.539 11.227 -1.234 174 HG21 VAL 31 1HG2 VAL 31 24.387 12.346 -3.394 175 HG22 VAL 31 2HG2 VAL 31 24.651 14.059 -3.068 176 HG23 VAL 31 3HG2 VAL 31 25.178 12.847 -1.900 177 H VAL 32 H VAL 32 20.819 15.234 -2.518 178 HA VAL 32 HA VAL 32 19.029 14.640 -0.483 179 HB VAL 32 HB VAL 32 18.676 16.727 -2.640 180 HG11 VAL 32 1HG1 VAL 32 17.536 17.846 -0.538 181 HG12 VAL 32 2HG1 VAL 32 16.639 16.761 -1.602 182 HG13 VAL 32 3HG1 VAL 32 17.284 16.164 -0.072 183 HG21 VAL 32 1HG2 VAL 32 20.191 16.742 -0.043 184 HG22 VAL 32 2HG2 VAL 32 20.785 17.119 -1.660 185 HG23 VAL 32 3HG2 VAL 32 19.677 18.224 -0.848 186 H THR 33 H THR 33 18.377 14.827 -3.982 187 HA THR 33 HA THR 33 15.688 14.163 -3.939 188 HB THR 33 HB THR 33 17.227 12.971 -6.160 189 HG1 THR 33 HG1 THR 33 18.382 14.688 -6.575 190 HG21 THR 33 1HG2 THR 33 15.574 14.768 -7.269 191 HG22 THR 33 2HG2 THR 33 14.758 14.545 -5.722 192 HG23 THR 33 3HG2 THR 33 15.047 13.160 -6.774 193 H ARG 34 H RSS 34 18.487 11.984 -4.229 194 HB2 ARG 34 2HB RSS 34 19.543 9.645 -4.724 195 HB3 ARG 34 3HB RSS 34 19.749 10.239 -3.082 196 HG2 ARG 34 2HG RSS 34 18.379 7.648 -3.328 197 HG3 ARG 34 3HG RSS 34 20.075 7.671 -3.813 198 HD2 ARG 34 2HD RSS 34 20.413 8.946 -1.567 199 HD3 ARG 34 3HD RSS 34 18.856 8.236 -1.144 200 HE ARG 34 HE RSS 34 19.907 6.233 -0.861 201 HH11 ARG 34 1HH2 RSS 34 21.651 4.762 -0.884 202 HH12 ARG 34 2HH2 RSS 34 23.099 5.171 -1.741 203 HH21 ARG 34 1HH1 RSS 34 21.927 8.285 -2.817 204 HH22 ARG 34 2HH1 RSS 34 23.257 7.175 -2.840 205 H ASN 35 H ASN 35 17.625 11.543 -1.640 206 HA ASN 35 HA ASN 35 16.692 9.491 0.169 207 HB2 ASN 35 2HB ASN 35 17.297 12.426 0.582 208 HB3 ASN 35 3HB ASN 35 16.810 11.327 1.869 209 HD21 ASN 35 1HD2 ASN 35 19.379 12.794 0.587 210 HD22 ASN 35 2HD2 ASN 35 20.621 11.657 0.975 211 H ALA 36 H ALA 36 15.438 12.485 -1.242 212 HA ALA 36 HA ALA 36 13.048 12.724 0.114 213 HB1 ALA 36 1HB ALA 36 12.868 13.249 -2.772 214 HB2 ALA 36 2HB ALA 36 12.544 14.309 -1.400 215 HB3 ALA 36 3HB ALA 36 14.202 14.049 -1.941 216 H ASN 37 H ASN 37 13.656 10.879 -2.872 217 HA ASN 37 HA ASN 37 11.089 9.894 -3.264 218 HB2 ASN 37 2HB ASN 37 13.819 8.919 -4.012 219 HB3 ASN 37 3HB ASN 37 12.427 7.881 -4.304 220 HD21 ASN 37 1HD2 ASN 37 11.830 7.995 -6.334 221 HD22 ASN 37 2HD2 ASN 37 11.765 9.424 -7.302 222 H ALA 38 H ALA 38 13.798 8.271 -1.605 223 HA ALA 38 HA ALA 38 12.419 6.016 -0.750 224 HB1 ALA 38 1HB ALA 38 14.164 5.913 1.063 225 HB2 ALA 38 2HB ALA 38 14.783 6.035 -0.584 226 HB3 ALA 38 3HB ALA 38 14.767 7.457 0.460 227 H ASN 39 H ASN 39 12.332 9.267 0.444 228 HA ASN 39 HA ASN 39 11.301 8.691 3.033 229 HB2 ASN 39 2HB ASN 39 12.019 11.021 1.522 230 HB3 ASN 39 3HB ASN 39 10.418 11.257 2.217 231 HD21 ASN 39 1HD2 ASN 39 13.453 11.989 2.749 232 HD22 ASN 39 2HD2 ASN 39 13.526 11.926 4.474 233 H VAL 40 H VAL 40 9.874 9.167 -0.125 234 HA VAL 40 HA VAL 40 7.180 9.398 0.847 235 HB VAL 40 HB VAL 40 8.145 8.788 -1.951 236 HG11 VAL 40 1HG1 VAL 40 5.958 8.311 -2.208 237 HG12 VAL 40 2HG1 VAL 40 5.488 9.177 -0.744 238 HG13 VAL 40 3HG1 VAL 40 5.783 10.065 -2.240 239 HG21 VAL 40 1HG2 VAL 40 9.071 10.872 -1.419 240 HG22 VAL 40 2HG2 VAL 40 7.573 11.263 -2.263 241 HG23 VAL 40 3HG2 VAL 40 7.648 11.372 -0.505 242 H ALA 41 H ALA 41 9.251 6.820 -0.320 243 HA ALA 41 HA ALA 41 7.113 4.886 -0.444 244 HB1 ALA 41 1HB ALA 41 8.891 4.600 -1.999 245 HB2 ALA 41 2HB ALA 41 10.101 4.633 -0.716 246 HB3 ALA 41 3HB ALA 41 8.989 3.271 -0.844 247 H LYS 42 H KSS 42 9.973 5.378 1.622 248 HB2 LYS 42 2HB KSS 42 11.029 4.443 4.896 249 HB3 LYS 42 3HB KSS 42 11.555 4.902 3.282 250 HG2 LYS 42 2HG KSS 42 11.522 6.964 4.183 251 HG3 LYS 42 3HG KSS 42 9.814 6.879 3.747 252 HD2 LYS 42 2HD KSS 42 9.134 6.674 5.906 253 HD3 LYS 42 3HD KSS 42 10.576 5.776 6.388 254 HE2 LYS 42 2HE KSS 42 11.265 8.461 5.613 255 HE3 LYS 42 3HE KSS 42 10.010 8.481 6.850 256 HZ1 LYS 42 1HZ KSS 42 12.745 8.008 7.173 257 HZ2 LYS 42 2HZ KSS 42 11.935 6.577 7.568 258 HZ3 LYS 42 3HZ KSS 42 11.540 8.018 8.361 259 H THR 43 H THR 43 7.917 6.326 3.203 260 HA THR 43 HA THR 43 6.588 5.925 5.751 261 HB THR 43 HB THR 43 6.140 8.048 3.644 262 HG1 THR 43 HG1 THR 43 8.039 8.610 4.472 263 HG21 THR 43 1HG2 THR 43 4.261 8.454 4.795 264 HG22 THR 43 2HG2 THR 43 5.314 9.034 6.086 265 HG23 THR 43 3HG2 THR 43 4.732 7.369 6.103 266 H ALA 44 H ALA 44 5.869 5.668 2.318 267 HA ALA 44 HA ALA 44 3.083 5.331 2.515 268 HB1 ALA 44 1HB ALA 44 3.272 4.275 0.276 269 HB2 ALA 44 2HB ALA 44 4.096 5.830 0.396 270 HB3 ALA 44 3HB ALA 44 5.027 4.333 0.439 Start of MODEL 17 1 H1 TRP 1 H TRP 1 1.433 0.056 0.813 2 HA TRP 1 HA TRP 1 3.152 -1.268 -0.589 3 HB2 TRP 1 2HB TRP 1 2.814 -1.139 -2.968 4 HB3 TRP 1 3HB TRP 1 1.363 -1.830 -2.247 5 HD1 TRP 1 HD1 TRP 1 -0.838 -0.243 -2.176 6 HE1 TRP 1 HE1 TRP 1 -1.531 1.735 -3.670 7 HE3 TRP 1 HE3 TRP 1 3.699 0.811 -4.283 8 HZ2 TRP 1 HZ2 TRP 1 -0.315 3.507 -5.500 9 HZ3 TRP 1 HZ3 TRP 1 3.848 2.662 -5.896 10 HH2 TRP 1 HH2 TRP 1 1.882 3.981 -6.492 11 H GLY 2 H GLY 2 4.948 -0.092 -1.148 12 HA2 GLY 2 2HA GLY 2 4.605 2.827 -1.396 13 HA3 GLY 2 3HA GLY 2 5.772 2.159 -0.264 14 H CYS 3 H CYS 3 5.080 2.895 -3.568 15 HA CYS 3 HA CYS 3 7.878 2.319 -4.239 16 HB2 CYS 3 2HB CYS 3 5.635 0.890 -5.242 17 HB3 CYS 3 3HB CYS 3 6.268 1.873 -6.559 18 H VAL 4 H VAL 4 8.777 4.182 -4.790 19 HA VAL 4 HA VAL 4 7.169 6.124 -6.320 20 HB VAL 4 HB VAL 4 7.745 6.899 -4.029 21 HG11 VAL 4 1HG1 VAL 4 10.281 5.844 -4.699 22 HG12 VAL 4 2HG1 VAL 4 10.476 7.582 -4.463 23 HG13 VAL 4 3HG1 VAL 4 9.773 6.590 -3.184 24 HG21 VAL 4 1HG2 VAL 4 7.528 8.374 -6.139 25 HG22 VAL 4 2HG2 VAL 4 8.215 9.082 -4.677 26 HG23 VAL 4 3HG2 VAL 4 9.274 8.568 -5.991 27 H CYS 5 H CYS 5 8.216 7.307 -7.962 28 HA CYS 5 HA CYS 5 10.893 6.399 -8.738 29 HB2 CYS 5 2HB CYS 5 8.559 6.527 -10.658 30 HB3 CYS 5 3HB CYS 5 10.209 6.047 -11.043 31 H SER 6 H SER 6 12.059 7.860 -10.032 32 HA SER 6 HA SER 6 11.107 10.615 -9.810 33 HB2 SER 6 2HB SER 6 13.339 10.113 -8.915 34 HB3 SER 6 3HB SER 6 13.853 9.539 -10.501 35 HG SER 6 HG SER 6 13.037 12.176 -9.836 36 H GLY 7 H GLY 7 9.636 9.523 -11.683 37 HA2 GLY 7 2HA GLY 7 10.370 10.950 -14.050 38 HA3 GLY 7 3HA GLY 7 10.524 9.213 -14.267 39 H SER 8 H SER 8 8.731 7.995 -14.600 40 HA SER 8 HA SER 8 6.167 9.447 -14.656 41 HB2 SER 8 2HB SER 8 7.424 8.269 -16.772 42 HB3 SER 8 3HB SER 8 6.374 6.961 -16.229 43 HG SER 8 HG SER 8 5.675 9.539 -17.131 44 H THR 9 H THR 9 4.248 7.849 -14.564 45 HA THR 9 HA THR 9 4.453 6.449 -12.062 46 HB THR 9 HB THR 9 2.030 6.205 -13.790 47 HG1 THR 9 HG1 THR 9 2.983 8.589 -12.577 48 HG21 THR 9 1HG2 THR 9 1.417 7.054 -11.192 49 HG22 THR 9 2HG2 THR 9 2.736 5.897 -11.014 50 HG23 THR 9 3HG2 THR 9 1.256 5.426 -11.850 51 H ALA 10 H ALA 10 4.368 5.596 -15.444 52 HA ALA 10 HA ALA 10 3.702 2.870 -15.180 53 HB1 ALA 10 1HB ALA 10 5.506 3.887 -17.342 54 HB2 ALA 10 2HB ALA 10 4.254 2.648 -17.425 55 HB3 ALA 10 3HB ALA 10 3.804 4.348 -17.294 56 H VAL 11 H VAL 11 6.748 4.605 -14.947 57 HA VAL 11 HA VAL 11 8.321 2.184 -14.813 58 HB VAL 11 HB VAL 11 9.334 4.135 -15.824 59 HG11 VAL 11 1HG1 VAL 11 8.187 5.918 -14.730 60 HG12 VAL 11 2HG1 VAL 11 8.837 5.448 -13.158 61 HG13 VAL 11 3HG1 VAL 11 9.908 6.108 -14.396 62 HG21 VAL 11 1HG2 VAL 11 10.738 3.794 -13.195 63 HG22 VAL 11 2HG2 VAL 11 10.664 2.486 -14.375 64 HG23 VAL 11 3HG2 VAL 11 11.433 4.014 -14.801 65 H ALA 12 H ALS 12 6.823 4.418 -12.605 66 HB1 ALA 12 1HB ALS 12 5.342 4.530 -10.460 67 HB2 ALA 12 2HB ALS 12 6.396 4.763 -9.064 68 HB3 ALA 12 3HB ALS 12 6.646 5.716 -10.527 69 H ASN 13 H ASN 13 5.341 2.323 -11.545 70 HA ASN 13 HA ASN 13 5.299 0.373 -9.428 71 HB2 ASN 13 2HB ASN 13 3.328 -0.473 -10.446 72 HB3 ASN 13 3HB ASN 13 3.259 1.275 -10.651 73 HD21 ASN 13 1HD2 ASN 13 3.781 2.156 -12.714 74 HD22 ASN 13 2HD2 ASN 13 3.578 1.208 -14.144 75 H SER 14 H SER 14 6.609 0.610 -12.630 76 HA SER 14 HA SER 14 6.855 -2.036 -13.382 77 HB2 SER 14 2HB SER 14 7.486 -0.193 -14.856 78 HB3 SER 14 3HB SER 14 8.842 0.211 -13.804 79 HG SER 14 HG SER 14 9.912 -1.537 -14.476 80 H HIS 15 H HIS 15 8.637 -0.248 -10.976 81 HA HIS 15 HA HIS 15 10.481 -2.487 -10.575 82 HB2 HIS 15 2HB HIS 15 10.739 0.324 -10.344 83 HB3 HIS 15 3HB HIS 15 10.910 -0.339 -8.722 84 HD1 HIS 15 HD1 HIS 15 12.637 -0.063 -11.981 85 HD2 HIS 15 HD2 HIS 15 13.134 -2.089 -8.388 86 HE1 HIS 15 HE1 HIS 15 14.996 -0.933 -12.020 87 H ASN 16 H NSS 16 8.575 -0.316 -8.476 88 HB2 ASN 16 2HB NSS 16 6.386 -2.295 -8.242 89 HB3 ASN 16 3HB NSS 16 6.952 -3.491 -7.079 90 HD21 ASN 16 1HD2 NSS 16 5.027 -0.580 -7.461 91 HD22 ASN 16 2HD2 NSS 16 4.008 -0.852 -6.092 92 H ALA 17 H ALA 17 7.297 -2.779 -4.769 93 HA ALA 17 HA ALA 17 9.682 -4.286 -4.406 94 HB1 ALA 17 1HB ALA 17 9.780 -2.767 -2.052 95 HB2 ALA 17 2HB ALA 17 10.968 -2.814 -3.355 96 HB3 ALA 17 3HB ALA 17 9.683 -1.607 -3.378 97 H GLY 18 H GLY 18 7.373 -2.641 -2.228 98 HA2 GLY 18 2HA GLY 18 5.601 -4.662 -1.756 99 HA3 GLY 18 3HA GLY 18 6.961 -5.050 -0.714 100 HA PRO 19 HA PRO 19 3.983 -1.988 1.315 101 HB2 PRO 19 2HB PRO 19 3.078 -3.641 3.269 102 HB3 PRO 19 3HB PRO 19 2.295 -3.500 1.691 103 HG2 PRO 19 2HG PRO 19 4.204 -5.584 2.679 104 HG3 PRO 19 3HG PRO 19 2.719 -5.786 1.731 105 HD2 PRO 19 2HD PRO 19 5.183 -5.843 0.610 106 HD3 PRO 19 3HD PRO 19 3.758 -5.225 -0.249 107 H ALA 20 H ALA 20 6.078 -4.486 2.720 108 HA ALA 20 HA ALA 20 6.799 -2.676 4.902 109 HB1 ALA 20 1HB ALA 20 6.229 -4.926 5.562 110 HB2 ALA 20 2HB ALA 20 7.436 -5.590 4.461 111 HB3 ALA 20 3HB ALA 20 7.944 -4.643 5.860 112 H TYR 21 H TYR 21 7.676 -2.386 2.046 113 HA TYR 21 HA TYR 21 10.564 -2.274 2.593 114 HB2 TYR 21 2HB TYR 21 9.198 -3.253 0.088 115 HB3 TYR 21 3HB TYR 21 10.882 -2.743 0.108 116 HD1 TYR 21 HD1 TYR 21 12.526 -4.315 0.545 117 HD2 TYR 21 HD2 TYR 21 8.552 -5.074 1.862 118 HE1 TYR 21 HE1 TYR 21 13.204 -6.564 1.276 119 HE2 TYR 21 HE2 TYR 21 9.219 -7.324 2.597 120 HH TYR 21 HH TYR 21 12.020 -8.287 3.264 121 H CYS 22 H CYS 22 11.572 -0.420 2.019 122 HA CYS 22 HA CYS 22 9.925 1.634 0.696 123 HB2 CYS 22 2HB CYS 22 12.067 1.927 2.808 124 HB3 CYS 22 3HB CYS 22 11.359 3.284 1.938 125 H VAL 23 H VAL 23 10.564 2.013 -1.313 126 HA VAL 23 HA VAL 23 13.452 1.950 -1.905 127 HB VAL 23 HB VAL 23 11.223 1.222 -3.810 128 HG11 VAL 23 1HG1 VAL 23 13.096 0.439 -5.242 129 HG12 VAL 23 2HG1 VAL 23 13.090 2.185 -4.980 130 HG13 VAL 23 3HG1 VAL 23 14.224 1.163 -4.096 131 HG21 VAL 23 1HG2 VAL 23 12.095 -1.071 -3.635 132 HG22 VAL 23 2HG2 VAL 23 13.211 -0.540 -2.377 133 HG23 VAL 23 3HG2 VAL 23 11.471 -0.480 -2.095 134 H GLY 24 H GLY 24 14.304 3.631 -3.041 135 HA2 GLY 24 2HA GLY 24 12.425 5.703 -3.986 136 HA3 GLY 24 3HA GLY 24 13.822 6.123 -3.006 137 H TYR 25 H TYR 25 12.653 5.680 -6.136 138 HA TYR 25 HA TYR 25 15.149 5.065 -7.411 139 HB2 TYR 25 2HB TYR 25 12.628 4.760 -8.220 140 HB3 TYR 25 3HB TYR 25 12.928 6.342 -8.930 141 HD1 TYR 25 HD1 TYR 25 14.425 2.929 -8.731 142 HD2 TYR 25 HD2 TYR 25 13.904 6.472 -11.029 143 HE1 TYR 25 HE1 TYR 25 15.552 1.853 -10.634 144 HE2 TYR 25 HE2 TYR 25 15.029 5.405 -12.939 145 HH TYR 25 HH TYR 25 16.247 3.636 -13.605 146 H CYS 26 H CYS 26 16.769 6.463 -7.501 147 HA CYS 26 HA CYS 26 16.144 9.310 -7.944 148 HB2 CYS 26 2HB CYS 26 18.523 8.214 -6.431 149 HB3 CYS 26 3HB CYS 26 18.094 9.910 -6.634 150 H GLY 27 H GLY 27 16.489 9.554 -10.083 151 HA2 GLY 27 2HA GLY 27 18.463 8.152 -11.561 152 HA3 GLY 27 3HA GLY 27 17.568 9.560 -12.112 153 H ASN 28 H ASN 28 19.236 10.665 -13.043 154 HA ASN 28 HA ASN 28 21.689 11.118 -11.563 155 HB2 ASN 28 2HB ASN 28 21.014 12.462 -14.161 156 HB3 ASN 28 3HB ASN 28 22.587 11.965 -13.547 157 HD21 ASN 28 1HD2 ASN 28 21.086 11.409 -16.077 158 HD22 ASN 28 2HD2 ASN 28 21.113 9.688 -16.229 159 H ASN 29 H ASN 29 19.867 12.160 -10.001 160 HA ASN 29 HA ASN 29 19.699 15.030 -10.604 161 HB2 ASN 29 2HB ASN 29 18.203 13.368 -8.564 162 HB3 ASN 29 3HB ASN 29 18.004 15.103 -8.792 163 HD21 ASN 29 1HD2 ASN 29 16.450 12.415 -9.297 164 HD22 ASN 29 2HD2 ASN 29 15.685 12.726 -10.815 165 H GLY 30 H GLY 30 20.217 12.935 -7.754 166 HA2 GLY 30 2HA GLY 30 22.661 13.745 -6.929 167 HA3 GLY 30 3HA GLY 30 21.625 15.054 -6.381 168 H VAL 31 H VAL 31 22.721 14.115 -4.334 169 HA VAL 31 HA VAL 31 21.721 11.679 -3.265 170 HB VAL 31 HB VAL 31 22.874 14.030 -1.759 171 HG11 VAL 31 1HG1 VAL 31 22.078 12.749 -0.061 172 HG12 VAL 31 2HG1 VAL 31 22.108 11.266 -1.018 173 HG13 VAL 31 3HG1 VAL 31 23.602 11.903 -0.329 174 HG21 VAL 31 1HG2 VAL 31 24.608 13.526 -3.172 175 HG22 VAL 31 2HG2 VAL 31 24.933 12.394 -1.859 176 HG23 VAL 31 3HG2 VAL 31 24.134 11.835 -3.329 177 H VAL 32 H VAL 32 20.748 15.059 -2.983 178 HA VAL 32 HA VAL 32 18.919 14.895 -0.914 179 HB VAL 32 HB VAL 32 18.657 16.570 -3.415 180 HG11 VAL 32 1HG1 VAL 32 16.727 17.251 -2.551 181 HG12 VAL 32 2HG1 VAL 32 16.979 16.280 -1.099 182 HG13 VAL 32 3HG1 VAL 32 17.627 17.919 -1.189 183 HG21 VAL 32 1HG2 VAL 32 20.217 16.909 -0.885 184 HG22 VAL 32 2HG2 VAL 32 20.721 17.179 -2.553 185 HG23 VAL 32 3HG2 VAL 32 19.632 18.321 -1.765 186 H THR 33 H THR 33 18.226 14.566 -4.398 187 HA THR 33 HA THR 33 15.528 13.918 -4.169 188 HB THR 33 HB THR 33 16.974 12.522 -6.330 189 HG1 THR 33 HG1 THR 33 18.320 14.232 -6.395 190 HG21 THR 33 1HG2 THR 33 14.415 13.493 -5.875 191 HG22 THR 33 2HG2 THR 33 15.049 12.893 -7.407 192 HG23 THR 33 3HG2 THR 33 15.097 14.618 -7.048 193 H ARG 34 H RSS 34 18.363 11.781 -4.266 194 HB2 ARG 34 2HB RSS 34 19.482 9.433 -4.513 195 HB3 ARG 34 3HB RSS 34 19.658 10.195 -2.938 196 HG2 ARG 34 2HG RSS 34 18.352 7.562 -2.918 197 HG3 ARG 34 3HG RSS 34 20.046 7.570 -3.412 198 HD2 ARG 34 2HD RSS 34 20.538 8.913 -1.348 199 HD3 ARG 34 3HD RSS 34 18.875 8.615 -0.842 200 HE ARG 34 HE RSS 34 20.014 6.148 -1.419 201 HH11 ARG 34 1HH2 RSS 34 20.829 4.792 0.224 202 HH12 ARG 34 2HH2 RSS 34 21.293 5.479 1.744 203 HH21 ARG 34 1HH1 RSS 34 20.467 8.756 0.843 204 HH22 ARG 34 2HH1 RSS 34 21.087 7.734 2.097 205 H ASN 35 H ASN 35 17.498 11.578 -1.647 206 HA ASN 35 HA ASN 35 16.592 9.696 0.350 207 HB2 ASN 35 2HB ASN 35 17.164 12.662 0.458 208 HB3 ASN 35 3HB ASN 35 16.638 11.718 1.849 209 HD21 ASN 35 1HD2 ASN 35 19.241 13.055 0.544 210 HD22 ASN 35 2HD2 ASN 35 20.470 11.960 1.070 211 H ALA 36 H ALA 36 15.297 12.559 -1.295 212 HA ALA 36 HA ALA 36 12.861 12.764 0.023 213 HB1 ALA 36 1HB ALA 36 12.295 14.287 -1.560 214 HB2 ALA 36 2HB ALA 36 14.021 14.187 -1.907 215 HB3 ALA 36 3HB ALA 36 12.870 13.284 -2.892 216 H ASN 37 H ASN 37 13.775 10.736 -2.726 217 HA ASN 37 HA ASN 37 11.201 9.744 -3.299 218 HB2 ASN 37 2HB ASN 37 13.976 8.714 -3.849 219 HB3 ASN 37 3HB ASN 37 12.547 7.803 -4.329 220 HD21 ASN 37 1HD2 ASN 37 11.474 8.372 -6.124 221 HD22 ASN 37 2HD2 ASN 37 11.881 9.720 -7.124 222 H ALA 38 H ALA 38 13.887 8.173 -1.551 223 HA ALA 38 HA ALA 38 12.488 5.929 -0.688 224 HB1 ALA 38 1HB ALA 38 14.881 7.371 0.393 225 HB2 ALA 38 2HB ALA 38 14.219 5.959 1.217 226 HB3 ALA 38 3HB ALA 38 14.800 5.820 -0.443 227 H ASN 39 H ASN 39 12.396 9.193 0.462 228 HA ASN 39 HA ASN 39 11.345 8.655 3.050 229 HB2 ASN 39 2HB ASN 39 11.604 11.076 1.316 230 HB3 ASN 39 3HB ASN 39 10.523 11.145 2.704 231 HD21 ASN 39 1HD2 ASN 39 12.825 12.717 2.388 232 HD22 ASN 39 2HD2 ASN 39 13.945 12.289 3.633 233 H VAL 40 H VAL 40 9.943 9.080 -0.125 234 HA VAL 40 HA VAL 40 7.242 9.328 0.822 235 HB VAL 40 HB VAL 40 8.162 8.618 -1.965 236 HG11 VAL 40 1HG1 VAL 40 5.577 9.620 -0.809 237 HG12 VAL 40 2HG1 VAL 40 5.971 9.800 -2.520 238 HG13 VAL 40 3HG1 VAL 40 5.859 8.192 -1.805 239 HG21 VAL 40 1HG2 VAL 40 7.416 11.311 -1.870 240 HG22 VAL 40 2HG2 VAL 40 8.471 11.064 -0.479 241 HG23 VAL 40 3HG2 VAL 40 9.038 10.658 -2.098 242 H ALA 41 H ALA 41 9.349 6.728 -0.164 243 HA ALA 41 HA ALA 41 7.206 4.789 -0.320 244 HB1 ALA 41 1HB ALA 41 8.892 3.199 -0.901 245 HB2 ALA 41 2HB ALA 41 9.231 4.693 -1.776 246 HB3 ALA 41 3HB ALA 41 10.174 4.275 -0.345 247 H LYS 42 H KSS 42 10.044 5.313 1.772 248 HB2 LYS 42 2HB KSS 42 11.057 4.435 5.075 249 HB3 LYS 42 3HB KSS 42 11.605 4.841 3.454 250 HG2 LYS 42 2HG KSS 42 10.370 6.966 3.596 251 HG3 LYS 42 3HG KSS 42 9.905 6.560 5.250 252 HD2 LYS 42 2HD KSS 42 12.778 6.680 4.365 253 HD3 LYS 42 3HD KSS 42 11.913 8.098 4.963 254 HE2 LYS 42 2HE KSS 42 11.320 6.348 6.912 255 HE3 LYS 42 3HE KSS 42 12.884 5.708 6.407 256 HZ1 LYS 42 1HZ KSS 42 12.493 8.575 7.024 257 HZ2 LYS 42 2HZ KSS 42 13.944 7.711 6.928 258 HZ3 LYS 42 3HZ KSS 42 12.888 7.449 8.223 259 H THR 43 H THR 43 7.973 6.314 3.279 260 HA THR 43 HA THR 43 6.595 5.965 5.823 261 HB THR 43 HB THR 43 6.272 8.147 3.753 262 HG1 THR 43 HG1 THR 43 8.367 7.929 4.929 263 HG21 THR 43 1HG2 THR 43 5.211 9.384 5.622 264 HG22 THR 43 2HG2 THR 43 5.293 7.919 6.601 265 HG23 THR 43 3HG2 THR 43 4.301 7.952 5.143 266 H ALA 44 H ALA 44 6.087 5.465 2.435 267 HA ALA 44 HA ALA 44 3.300 5.501 2.293 268 HB1 ALA 44 1HB ALA 44 3.672 3.816 0.399 269 HB2 ALA 44 2HB ALA 44 4.427 5.404 0.250 270 HB3 ALA 44 3HB ALA 44 5.392 4.012 0.743 Start of MODEL 18 1 H1 TRP 1 H TRP 1 0.697 -0.972 0.243 2 HA TRP 1 HA TRP 1 3.111 -0.853 -0.238 3 HB2 TRP 1 2HB TRP 1 3.004 -0.883 -2.709 4 HB3 TRP 1 3HB TRP 1 1.731 -1.855 -1.975 5 HD1 TRP 1 HD1 TRP 1 -0.780 -0.673 -1.940 6 HE1 TRP 1 HE1 TRP 1 -1.862 0.879 -3.685 7 HE3 TRP 1 HE3 TRP 1 3.437 0.857 -4.391 8 HZ2 TRP 1 HZ2 TRP 1 -1.037 2.533 -5.819 9 HZ3 TRP 1 HZ3 TRP 1 3.204 2.425 -6.274 10 HH2 TRP 1 HH2 TRP 1 1.012 3.244 -6.971 11 H GLY 2 H GLY 2 4.801 0.344 -1.374 12 HA2 GLY 2 2HA GLY 2 4.280 3.185 -1.810 13 HA3 GLY 2 3HA GLY 2 5.415 2.773 -0.533 14 H CYS 3 H CYS 3 4.986 3.267 -3.869 15 HA CYS 3 HA CYS 3 7.820 2.678 -4.316 16 HB2 CYS 3 2HB CYS 3 5.591 1.241 -5.484 17 HB3 CYS 3 3HB CYS 3 6.573 2.007 -6.729 18 H VAL 4 H VAL 4 8.728 4.506 -4.961 19 HA VAL 4 HA VAL 4 7.151 6.357 -6.627 20 HB VAL 4 HB VAL 4 7.790 7.284 -4.431 21 HG11 VAL 4 1HG1 VAL 4 9.826 6.101 -3.993 22 HG12 VAL 4 2HG1 VAL 4 10.597 6.800 -5.418 23 HG13 VAL 4 3HG1 VAL 4 10.191 7.825 -4.041 24 HG21 VAL 4 1HG2 VAL 4 7.538 8.724 -6.432 25 HG22 VAL 4 2HG2 VAL 4 8.662 9.380 -5.242 26 HG23 VAL 4 3HG2 VAL 4 9.277 8.602 -6.700 27 H CYS 5 H CYS 5 8.140 7.356 -8.399 28 HA CYS 5 HA CYS 5 10.794 6.388 -9.174 29 HB2 CYS 5 2HB CYS 5 8.438 6.351 -11.067 30 HB3 CYS 5 3HB CYS 5 10.068 5.765 -11.384 31 H SER 6 H SER 6 11.904 7.725 -10.643 32 HA SER 6 HA SER 6 10.998 10.493 -10.588 33 HB2 SER 6 2HB SER 6 13.296 10.058 -9.901 34 HB3 SER 6 3HB SER 6 13.635 9.275 -11.444 35 HG SER 6 HG SER 6 13.763 11.871 -10.829 36 H GLY 7 H GLY 7 9.295 9.381 -12.195 37 HA2 GLY 7 2HA GLY 7 9.792 10.588 -14.728 38 HA3 GLY 7 3HA GLY 7 9.899 8.837 -14.836 39 H SER 8 H SER 8 8.055 7.608 -14.749 40 HA SER 8 HA SER 8 5.519 9.105 -14.620 41 HB2 SER 8 2HB SER 8 6.573 7.646 -16.785 42 HB3 SER 8 3HB SER 8 5.279 6.650 -16.119 43 HG SER 8 HG SER 8 4.702 8.307 -17.753 44 H THR 9 H THR 9 3.625 7.431 -14.346 45 HA THR 9 HA THR 9 4.083 6.154 -11.810 46 HB THR 9 HB THR 9 1.593 5.399 -12.298 47 HG1 THR 9 HG1 THR 9 1.628 7.754 -13.844 48 HG21 THR 9 1HG2 THR 9 1.243 6.915 -10.705 49 HG22 THR 9 2HG2 THR 9 1.393 8.217 -11.885 50 HG23 THR 9 3HG2 THR 9 2.824 7.618 -11.045 51 H ALA 10 H ALA 10 3.469 5.112 -15.123 52 HA ALA 10 HA ALA 10 3.001 2.406 -14.697 53 HB1 ALA 10 1HB ALA 10 2.830 3.705 -16.867 54 HB2 ALA 10 2HB ALA 10 4.569 3.464 -17.032 55 HB3 ALA 10 3HB ALA 10 3.488 2.073 -16.978 56 H VAL 11 H VAL 11 6.038 4.182 -14.849 57 HA VAL 11 HA VAL 11 7.644 1.786 -14.701 58 HB VAL 11 HB VAL 11 8.505 3.714 -15.919 59 HG11 VAL 11 1HG1 VAL 11 9.215 5.740 -14.697 60 HG12 VAL 11 2HG1 VAL 11 7.466 5.504 -14.671 61 HG13 VAL 11 3HG1 VAL 11 8.431 5.112 -13.248 62 HG21 VAL 11 1HG2 VAL 11 10.673 3.424 -15.281 63 HG22 VAL 11 2HG2 VAL 11 10.312 3.614 -13.565 64 HG23 VAL 11 3HG2 VAL 11 9.939 2.096 -14.382 65 H ALA 12 H ALS 12 6.369 4.184 -12.511 66 HB1 ALA 12 1HB ALS 12 6.431 5.622 -10.515 67 HB2 ALA 12 2HB ALS 12 5.109 4.485 -10.252 68 HB3 ALA 12 3HB ALS 12 6.293 4.770 -8.977 69 H ASN 13 H ASN 13 4.934 2.227 -11.160 70 HA ASN 13 HA ASN 13 5.044 0.418 -8.930 71 HB2 ASN 13 2HB ASN 13 2.948 -0.350 -9.624 72 HB3 ASN 13 3HB ASN 13 2.946 1.330 -10.151 73 HD21 ASN 13 1HD2 ASN 13 3.367 1.774 -12.381 74 HD22 ASN 13 2HD2 ASN 13 2.988 0.593 -13.584 75 H SER 14 H SER 14 6.070 0.398 -12.242 76 HA SER 14 HA SER 14 6.189 -2.303 -12.819 77 HB2 SER 14 2HB SER 14 6.714 -0.658 -14.509 78 HB3 SER 14 3HB SER 14 8.111 -0.096 -13.591 79 HG SER 14 HG SER 14 8.204 -1.844 -15.438 80 H HIS 15 H HIS 15 8.196 -0.404 -10.699 81 HA HIS 15 HA HIS 15 10.054 -2.634 -10.326 82 HB2 HIS 15 2HB HIS 15 10.255 0.233 -10.127 83 HB3 HIS 15 3HB HIS 15 10.754 -0.511 -8.611 84 HD1 HIS 15 HD1 HIS 15 13.064 -1.441 -8.535 85 HD2 HIS 15 HD2 HIS 15 11.765 -0.771 -12.424 86 HE1 HIS 15 HE1 HIS 15 15.065 -1.873 -9.996 87 H ASN 16 H NSS 16 8.324 -0.348 -8.197 88 HB2 ASN 16 2HB NSS 16 6.161 -2.303 -7.686 89 HB3 ASN 16 3HB NSS 16 6.818 -3.439 -6.511 90 HD21 ASN 16 1HD2 NSS 16 4.570 -0.905 -7.090 91 HD22 ASN 16 2HD2 NSS 16 3.779 -0.961 -5.555 92 H ALA 17 H ALA 17 7.346 -2.610 -4.277 93 HA ALA 17 HA ALA 17 9.847 -4.005 -4.041 94 HB1 ALA 17 1HB ALA 17 9.911 -1.396 -3.198 95 HB2 ALA 17 2HB ALA 17 9.571 -2.277 -1.708 96 HB3 ALA 17 3HB ALA 17 10.999 -2.676 -2.662 97 H GLY 18 H GLY 18 7.387 -2.633 -1.838 98 HA2 GLY 18 2HA GLY 18 5.758 -4.702 -1.357 99 HA3 GLY 18 3HA GLY 18 7.191 -5.185 -0.462 100 HA PRO 19 HA PRO 19 4.380 -2.447 2.142 101 HB2 PRO 19 2HB PRO 19 3.826 -4.297 4.050 102 HB3 PRO 19 3HB PRO 19 2.845 -4.096 2.594 103 HG2 PRO 19 2HG PRO 19 4.984 -6.109 3.175 104 HG3 PRO 19 3HG PRO 19 3.408 -6.344 2.397 105 HD2 PRO 19 2HD PRO 19 5.712 -6.147 0.989 106 HD3 PRO 19 3HD PRO 19 4.156 -5.568 0.360 107 H ALA 20 H ALA 20 6.895 -4.793 2.931 108 HA ALA 20 HA ALA 20 7.753 -3.104 5.179 109 HB1 ALA 20 1HB ALA 20 8.577 -5.932 4.531 110 HB2 ALA 20 2HB ALA 20 8.995 -5.019 5.981 111 HB3 ALA 20 3HB ALA 20 7.319 -5.477 5.680 112 H TYR 21 H TYR 21 8.245 -2.649 2.252 113 HA TYR 21 HA TYR 21 11.155 -2.340 2.462 114 HB2 TYR 21 2HB TYR 21 9.665 -3.445 0.076 115 HB3 TYR 21 3HB TYR 21 11.342 -2.914 0.027 116 HD1 TYR 21 HD1 TYR 21 9.043 -5.375 1.576 117 HD2 TYR 21 HD2 TYR 21 13.084 -4.333 0.747 118 HE1 TYR 21 HE1 TYR 21 9.764 -7.608 2.313 119 HE2 TYR 21 HE2 TYR 21 13.816 -6.564 1.480 120 HH TYR 21 HH TYR 21 13.003 -8.383 2.931 121 H CYS 22 H CYS 22 12.030 -0.642 1.141 122 HA CYS 22 HA CYS 22 10.062 1.262 0.084 123 HB2 CYS 22 2HB CYS 22 12.220 1.840 2.111 124 HB3 CYS 22 3HB CYS 22 11.486 3.104 1.130 125 H VAL 23 H VAL 23 10.658 2.250 -1.766 126 HA VAL 23 HA VAL 23 13.466 2.079 -2.610 127 HB VAL 23 HB VAL 23 11.110 1.350 -4.356 128 HG11 VAL 23 1HG1 VAL 23 12.470 2.099 -5.979 129 HG12 VAL 23 2HG1 VAL 23 13.895 2.070 -4.938 130 HG13 VAL 23 3HG1 VAL 23 13.336 0.587 -5.711 131 HG21 VAL 23 1HG2 VAL 23 11.869 -0.332 -2.614 132 HG22 VAL 23 2HG2 VAL 23 11.861 -0.886 -4.288 133 HG23 VAL 23 3HG2 VAL 23 13.381 -0.434 -3.516 134 H GLY 24 H GLY 24 14.231 3.897 -3.519 135 HA2 GLY 24 2HA GLY 24 12.278 5.905 -4.446 136 HA3 GLY 24 3HA GLY 24 13.588 6.355 -3.363 137 H TYR 25 H TYR 25 12.638 5.900 -6.593 138 HA TYR 25 HA TYR 25 14.989 5.336 -7.927 139 HB2 TYR 25 2HB TYR 25 12.638 5.660 -8.885 140 HB3 TYR 25 3HB TYR 25 13.007 7.381 -8.919 141 HD1 TYR 25 HD1 TYR 25 13.020 4.455 -10.811 142 HD2 TYR 25 HD2 TYR 25 15.356 7.935 -10.079 143 HE1 TYR 25 HE1 TYR 25 14.119 4.169 -12.993 144 HE2 TYR 25 HE2 TYR 25 16.460 7.659 -12.260 145 HH TYR 25 HH TYR 25 15.308 5.617 -14.659 146 H CYS 26 H CYS 26 16.903 6.259 -7.625 147 HA CYS 26 HA CYS 26 17.065 9.190 -7.690 148 HB2 CYS 26 2HB CYS 26 18.457 7.363 -5.726 149 HB3 CYS 26 3HB CYS 26 18.900 9.048 -5.975 150 H GLY 27 H GLY 27 17.886 9.322 -9.733 151 HA2 GLY 27 2HA GLY 27 20.036 7.594 -10.598 152 HA3 GLY 27 3HA GLY 27 19.304 8.896 -11.523 153 H ASN 28 H ASN 28 20.598 10.548 -11.935 154 HA ASN 28 HA ASN 28 22.844 11.053 -10.096 155 HB2 ASN 28 2HB ASN 28 23.941 12.125 -12.097 156 HB3 ASN 28 3HB ASN 28 23.698 10.386 -12.230 157 HD21 ASN 28 1HD2 ASN 28 22.863 9.692 -14.054 158 HD22 ASN 28 2HD2 ASN 28 21.920 10.624 -15.163 159 H ASN 29 H ASN 29 20.439 12.141 -9.403 160 HA ASN 29 HA ASN 29 20.449 14.907 -10.354 161 HB2 ASN 29 2HB ASN 29 18.506 13.678 -8.399 162 HB3 ASN 29 3HB ASN 29 18.292 15.131 -9.371 163 HD21 ASN 29 1HD2 ASN 29 17.327 12.063 -9.084 164 HD22 ASN 29 2HD2 ASN 29 16.944 11.697 -10.728 165 H GLY 30 H GLY 30 21.058 12.980 -7.489 166 HA2 GLY 30 2HA GLY 30 22.900 14.296 -6.182 167 HA3 GLY 30 3HA GLY 30 21.561 15.401 -5.912 168 H VAL 31 H VAL 31 23.082 13.943 -3.932 169 HA VAL 31 HA VAL 31 21.892 11.655 -2.947 170 HB VAL 31 HB VAL 31 22.981 13.939 -1.295 171 HG11 VAL 31 1HG1 VAL 31 22.203 11.130 -0.677 172 HG12 VAL 31 2HG1 VAL 31 23.574 11.844 0.175 173 HG13 VAL 31 3HG1 VAL 31 21.982 12.598 0.275 174 HG21 VAL 31 1HG2 VAL 31 24.779 13.429 -2.625 175 HG22 VAL 31 2HG2 VAL 31 25.010 12.267 -1.319 176 HG23 VAL 31 3HG2 VAL 31 24.284 11.750 -2.840 177 H VAL 32 H VAL 32 20.925 15.025 -2.484 178 HA VAL 32 HA VAL 32 18.978 14.739 -0.548 179 HB VAL 32 HB VAL 32 18.851 16.572 -2.948 180 HG11 VAL 32 1HG1 VAL 32 17.284 16.377 -0.425 181 HG12 VAL 32 2HG1 VAL 32 17.628 17.976 -1.086 182 HG13 VAL 32 3HG1 VAL 32 16.754 16.789 -2.055 183 HG21 VAL 32 1HG2 VAL 32 20.418 16.624 -0.440 184 HG22 VAL 32 2HG2 VAL 32 20.800 17.284 -2.030 185 HG23 VAL 32 3HG2 VAL 32 19.697 18.147 -0.958 186 H THR 33 H THR 33 18.548 14.519 -4.078 187 HA THR 33 HA THR 33 15.826 13.970 -4.116 188 HB THR 33 HB THR 33 17.438 12.496 -6.106 189 HG1 THR 33 HG1 THR 33 18.813 14.134 -6.213 190 HG21 THR 33 1HG2 THR 33 14.873 13.367 -5.967 191 HG22 THR 33 2HG2 THR 33 15.717 13.013 -7.475 192 HG23 THR 33 3HG2 THR 33 15.616 14.673 -6.889 193 H ARG 34 H RSS 34 18.557 11.699 -3.959 194 HB2 ARG 34 2HB RSS 34 19.571 9.295 -4.107 195 HB3 ARG 34 3HB RSS 34 19.665 10.062 -2.528 196 HG2 ARG 34 2HG RSS 34 18.185 7.585 -2.408 197 HG3 ARG 34 3HG RSS 34 19.800 7.350 -3.078 198 HD2 ARG 34 2HD RSS 34 20.795 8.420 -1.152 199 HD3 ARG 34 3HD RSS 34 19.199 8.798 -0.503 200 HE ARG 34 HE RSS 34 19.474 6.010 -0.909 201 HH11 ARG 34 1HH2 RSS 34 19.742 4.641 0.896 202 HH12 ARG 34 2HH2 RSS 34 20.266 5.312 2.403 203 HH21 ARG 34 1HH1 RSS 34 20.478 8.589 1.202 204 HH22 ARG 34 2HH1 RSS 34 20.684 7.558 2.579 205 H ASN 35 H ASN 35 17.488 11.563 -1.412 206 HA ASN 35 HA ASN 35 16.336 9.747 0.519 207 HB2 ASN 35 2HB ASN 35 17.040 12.685 0.662 208 HB3 ASN 35 3HB ASN 35 16.380 11.768 2.013 209 HD21 ASN 35 1HD2 ASN 35 19.148 12.874 0.647 210 HD22 ASN 35 2HD2 ASN 35 20.279 11.772 1.347 211 H ALA 36 H ALA 36 15.317 12.626 -1.276 212 HA ALA 36 HA ALA 36 12.810 13.002 -0.141 213 HB1 ALA 36 1HB ALA 36 13.191 13.414 -3.072 214 HB2 ALA 36 2HB ALA 36 12.358 14.427 -1.892 215 HB3 ALA 36 3HB ALA 36 14.120 14.381 -1.927 216 H ASN 37 H ASN 37 13.738 10.950 -2.889 217 HA ASN 37 HA ASN 37 11.121 10.020 -3.438 218 HB2 ASN 37 2HB ASN 37 13.876 9.063 -4.165 219 HB3 ASN 37 3HB ASN 37 12.456 8.109 -4.584 220 HD21 ASN 37 1HD2 ASN 37 12.245 8.352 -6.702 221 HD22 ASN 37 2HD2 ASN 37 12.160 9.864 -7.534 222 H ALA 38 H ALA 38 13.866 8.403 -1.833 223 HA ALA 38 HA ALA 38 12.532 6.094 -1.049 224 HB1 ALA 38 1HB ALA 38 14.284 5.968 0.758 225 HB2 ALA 38 2HB ALA 38 14.895 6.151 -0.887 226 HB3 ALA 38 3HB ALA 38 14.857 7.539 0.199 227 H ASN 39 H ASN 39 12.385 9.301 0.252 228 HA ASN 39 HA ASN 39 11.364 8.612 2.819 229 HB2 ASN 39 2HB ASN 39 12.359 10.759 2.612 230 HB3 ASN 39 3HB ASN 39 11.363 11.168 1.218 231 HD21 ASN 39 1HD2 ASN 39 10.213 12.858 1.868 232 HD22 ASN 39 2HD2 ASN 39 9.223 12.910 3.283 233 H VAL 40 H VAL 40 9.928 9.249 -0.313 234 HA VAL 40 HA VAL 40 7.233 9.370 0.677 235 HB VAL 40 HB VAL 40 8.158 8.931 -2.165 236 HG11 VAL 40 1HG1 VAL 40 5.879 8.396 -2.062 237 HG12 VAL 40 2HG1 VAL 40 5.533 9.703 -0.927 238 HG13 VAL 40 3HG1 VAL 40 5.915 10.072 -2.609 239 HG21 VAL 40 1HG2 VAL 40 8.976 11.001 -2.072 240 HG22 VAL 40 2HG2 VAL 40 7.316 11.565 -1.884 241 HG23 VAL 40 3HG2 VAL 40 8.311 11.264 -0.460 242 H ALA 41 H ALA 41 9.376 6.900 -0.535 243 HA ALA 41 HA ALA 41 7.268 4.943 -0.848 244 HB1 ALA 41 1HB ALA 41 8.957 3.450 -1.590 245 HB2 ALA 41 2HB ALA 41 9.329 5.028 -2.285 246 HB3 ALA 41 3HB ALA 41 10.235 4.443 -0.889 247 H LYS 42 H KSS 42 10.096 5.338 1.284 248 HB2 LYS 42 2HB KSS 42 11.121 4.213 4.507 249 HB3 LYS 42 3HB KSS 42 11.662 4.763 2.927 250 HG2 LYS 42 2HG KSS 42 10.354 6.839 3.250 251 HG3 LYS 42 3HG KSS 42 9.951 6.289 4.878 252 HD2 LYS 42 2HD KSS 42 12.514 6.070 5.176 253 HD3 LYS 42 3HD KSS 42 12.604 7.127 3.765 254 HE2 LYS 42 2HE KSS 42 12.174 8.907 5.023 255 HE3 LYS 42 3HE KSS 42 10.691 8.168 5.624 256 HZ1 LYS 42 1HZ KSS 42 12.527 6.856 7.043 257 HZ2 LYS 42 2HZ KSS 42 11.770 8.272 7.575 258 HZ3 LYS 42 3HZ KSS 42 13.304 8.349 6.866 259 H THR 43 H THR 43 8.030 6.199 2.894 260 HA THR 43 HA THR 43 6.677 5.664 5.404 261 HB THR 43 HB THR 43 5.434 7.773 4.900 262 HG1 THR 43 HG1 THR 43 6.627 8.976 3.089 263 HG21 THR 43 1HG2 THR 43 8.281 7.473 5.380 264 HG22 THR 43 2HG2 THR 43 7.118 8.555 6.146 265 HG23 THR 43 3HG2 THR 43 7.897 9.024 4.635 266 H ALA 44 H ALA 44 5.956 5.644 1.953 267 HA ALA 44 HA ALA 44 3.167 5.076 2.312 268 HB1 ALA 44 1HB ALA 44 4.921 4.881 -0.133 269 HB2 ALA 44 2HB ALA 44 3.165 4.711 -0.127 270 HB3 ALA 44 3HB ALA 44 3.904 6.246 0.329 Start of MODEL 19 1 H1 TRP 1 H TRP 1 1.658 -1.573 -0.496 2 HA TRP 1 HA TRP 1 2.170 -0.433 -2.422 3 HB2 TRP 1 2HB TRP 1 -0.225 -0.011 -2.171 4 HB3 TRP 1 3HB TRP 1 0.112 1.403 -1.177 5 HD1 TRP 1 HD1 TRP 1 0.174 3.637 -2.429 6 HE1 TRP 1 HE1 TRP 1 0.366 4.362 -4.891 7 HE3 TRP 1 HE3 TRP 1 0.972 -0.940 -4.562 8 HZ2 TRP 1 HZ2 TRP 1 0.797 3.153 -7.405 9 HZ3 TRP 1 HZ3 TRP 1 1.264 -1.069 -7.002 10 HH2 TRP 1 HH2 TRP 1 1.178 0.936 -8.392 11 H GLY 2 H GLY 2 4.365 0.051 -1.682 12 HA2 GLY 2 2HA GLY 2 4.735 2.963 -1.383 13 HA3 GLY 2 3HA GLY 2 5.644 1.836 -0.386 14 H CYS 3 H CYS 3 5.212 3.130 -3.603 15 HA CYS 3 HA CYS 3 7.962 2.451 -4.232 16 HB2 CYS 3 2HB CYS 3 5.786 0.897 -5.237 17 HB3 CYS 3 3HB CYS 3 6.488 1.799 -6.577 18 H VAL 4 H VAL 4 8.836 4.262 -4.961 19 HA VAL 4 HA VAL 4 7.171 6.080 -6.580 20 HB VAL 4 HB VAL 4 7.728 7.029 -4.368 21 HG11 VAL 4 1HG1 VAL 4 10.096 7.701 -3.955 22 HG12 VAL 4 2HG1 VAL 4 9.818 5.959 -3.901 23 HG13 VAL 4 3HG1 VAL 4 10.567 6.691 -5.321 24 HG21 VAL 4 1HG2 VAL 4 8.455 9.170 -5.156 25 HG22 VAL 4 2HG2 VAL 4 9.196 8.449 -6.585 26 HG23 VAL 4 3HG2 VAL 4 7.442 8.443 -6.404 27 H CYS 5 H CYS 5 8.138 7.122 -8.337 28 HA CYS 5 HA CYS 5 10.849 6.279 -9.065 29 HB2 CYS 5 2HB CYS 5 8.541 6.167 -11.012 30 HB3 CYS 5 3HB CYS 5 10.195 5.628 -11.283 31 H SER 6 H SER 6 11.957 7.698 -10.423 32 HA SER 6 HA SER 6 10.929 10.415 -10.390 33 HB2 SER 6 2HB SER 6 13.233 10.052 -9.671 34 HB3 SER 6 3HB SER 6 13.625 9.317 -11.226 35 HG SER 6 HG SER 6 12.934 12.011 -10.692 36 H GLY 7 H GLY 7 9.250 9.484 -12.011 37 HA2 GLY 7 2HA GLY 7 9.784 10.651 -14.532 38 HA3 GLY 7 3HA GLY 7 9.904 8.902 -14.657 39 H SER 8 H SER 8 8.027 7.626 -14.092 40 HA SER 8 HA SER 8 5.491 9.090 -14.055 41 HB2 SER 8 2HB SER 8 6.469 8.013 -16.403 42 HB3 SER 8 3HB SER 8 5.401 6.743 -15.805 43 HG SER 8 HG SER 8 3.956 7.971 -16.757 44 H THR 9 H THR 9 3.639 7.321 -13.944 45 HA THR 9 HA THR 9 4.157 5.845 -11.531 46 HB THR 9 HB THR 9 1.619 5.177 -12.721 47 HG1 THR 9 HG1 THR 9 1.103 7.027 -13.590 48 HG21 THR 9 1HG2 THR 9 0.750 6.080 -10.662 49 HG22 THR 9 2HG2 THR 9 2.262 6.934 -10.351 50 HG23 THR 9 3HG2 THR 9 2.219 5.172 -10.304 51 H ALA 10 H ALA 10 3.509 5.065 -14.914 52 HA ALA 10 HA ALA 10 3.141 2.332 -14.747 53 HB1 ALA 10 1HB ALA 10 2.930 3.747 -16.799 54 HB2 ALA 10 2HB ALA 10 4.689 3.706 -16.935 55 HB3 ALA 10 3HB ALA 10 3.760 2.211 -17.046 56 H VAL 11 H VAL 11 6.158 4.168 -14.772 57 HA VAL 11 HA VAL 11 7.782 1.774 -14.722 58 HB VAL 11 HB VAL 11 8.655 3.702 -15.895 59 HG11 VAL 11 1HG1 VAL 11 9.335 5.732 -14.593 60 HG12 VAL 11 2HG1 VAL 11 7.592 5.509 -14.757 61 HG13 VAL 11 3HG1 VAL 11 8.396 5.102 -13.240 62 HG21 VAL 11 1HG2 VAL 11 10.494 3.804 -13.622 63 HG22 VAL 11 2HG2 VAL 11 10.051 2.170 -14.114 64 HG23 VAL 11 3HG2 VAL 11 10.771 3.278 -15.282 65 H ALA 12 H ALS 12 6.476 4.071 -12.455 66 HB1 ALA 12 1HB ALS 12 5.242 4.317 -10.197 67 HB2 ALA 12 2HB ALS 12 6.417 4.550 -8.901 68 HB3 ALA 12 3HB ALS 12 6.567 5.464 -10.402 69 H ASN 13 H ASN 13 5.105 2.052 -11.194 70 HA ASN 13 HA ASN 13 5.216 0.191 -9.004 71 HB2 ASN 13 2HB ASN 13 3.138 -0.593 -9.742 72 HB3 ASN 13 3HB ASN 13 3.114 1.106 -10.208 73 HD21 ASN 13 1HD2 ASN 13 3.462 1.647 -12.406 74 HD22 ASN 13 2HD2 ASN 13 3.140 0.501 -13.658 75 H SER 14 H SER 14 6.287 0.279 -12.297 76 HA SER 14 HA SER 14 6.438 -2.400 -12.960 77 HB2 SER 14 2HB SER 14 8.022 0.017 -13.708 78 HB3 SER 14 3HB SER 14 8.650 -1.564 -14.174 79 HG SER 14 HG SER 14 5.958 -1.036 -14.678 80 H HIS 15 H HIS 15 8.434 -0.541 -10.782 81 HA HIS 15 HA HIS 15 10.254 -2.806 -10.416 82 HB2 HIS 15 2HB HIS 15 10.773 -0.131 -10.559 83 HB3 HIS 15 3HB HIS 15 10.696 -0.372 -8.816 84 HD1 HIS 15 HD1 HIS 15 12.961 -0.615 -11.610 85 HD2 HIS 15 HD2 HIS 15 12.536 -2.534 -7.949 86 HE1 HIS 15 HE1 HIS 15 15.178 -1.716 -11.166 87 H ASN 16 H NSS 16 8.560 -0.479 -8.302 88 HB2 ASN 16 2HB NSS 16 6.370 -2.402 -7.780 89 HB3 ASN 16 3HB NSS 16 7.011 -3.537 -6.596 90 HD21 ASN 16 1HD2 NSS 16 4.880 -0.865 -7.149 91 HD22 ASN 16 2HD2 NSS 16 4.053 -0.943 -5.634 92 H ALA 17 H ALA 17 7.546 -2.697 -4.366 93 HA ALA 17 HA ALA 17 10.012 -4.140 -4.113 94 HB1 ALA 17 1HB ALA 17 11.238 -2.727 -2.920 95 HB2 ALA 17 2HB ALA 17 10.025 -1.482 -3.224 96 HB3 ALA 17 3HB ALA 17 9.920 -2.480 -1.774 97 H GLY 18 H GLY 18 7.456 -2.684 -2.083 98 HA2 GLY 18 2HA GLY 18 5.904 -4.801 -1.517 99 HA3 GLY 18 3HA GLY 18 7.295 -5.100 -0.486 100 HA PRO 19 HA PRO 19 4.137 -2.235 1.564 101 HB2 PRO 19 2HB PRO 19 3.341 -3.946 3.515 102 HB3 PRO 19 3HB PRO 19 2.545 -3.848 1.940 103 HG2 PRO 19 2HG PRO 19 4.580 -5.816 2.915 104 HG3 PRO 19 3HG PRO 19 3.107 -6.104 1.971 105 HD2 PRO 19 2HD PRO 19 5.566 -6.008 0.841 106 HD3 PRO 19 3HD PRO 19 4.103 -5.474 -0.010 107 H ALA 20 H ALA 20 6.379 -4.610 2.959 108 HA ALA 20 HA ALA 20 7.001 -2.761 5.140 109 HB1 ALA 20 1HB ALA 20 8.438 -5.304 5.093 110 HB2 ALA 20 2HB ALA 20 7.497 -4.554 6.383 111 HB3 ALA 20 3HB ALA 20 6.683 -5.477 5.120 112 H TYR 21 H TYR 21 7.855 -2.425 2.282 113 HA TYR 21 HA TYR 21 10.734 -2.155 2.820 114 HB2 TYR 21 2HB TYR 21 9.461 -3.085 0.240 115 HB3 TYR 21 3HB TYR 21 11.162 -2.670 0.419 116 HD1 TYR 21 HD1 TYR 21 8.540 -5.015 1.601 117 HD2 TYR 21 HD2 TYR 21 12.708 -4.249 1.227 118 HE1 TYR 21 HE1 TYR 21 9.021 -7.322 2.307 119 HE2 TYR 21 HE2 TYR 21 13.201 -6.554 1.931 120 HH TYR 21 HH TYR 21 10.592 -8.817 2.767 121 H CYS 22 H CYS 22 11.788 -0.550 1.357 122 HA CYS 22 HA CYS 22 9.976 1.508 0.340 123 HB2 CYS 22 2HB CYS 22 12.128 1.984 2.409 124 HB3 CYS 22 3HB CYS 22 11.350 3.270 1.492 125 H VAL 23 H VAL 23 10.631 2.248 -1.569 126 HA VAL 23 HA VAL 23 13.492 2.131 -2.238 127 HB VAL 23 HB VAL 23 11.252 1.235 -4.058 128 HG11 VAL 23 1HG1 VAL 23 12.767 2.172 -5.522 129 HG12 VAL 23 2HG1 VAL 23 14.156 1.770 -4.509 130 HG13 VAL 23 3HG1 VAL 23 13.343 0.507 -5.435 131 HG21 VAL 23 1HG2 VAL 23 11.926 -0.346 -2.226 132 HG22 VAL 23 2HG2 VAL 23 12.134 -0.969 -3.863 133 HG23 VAL 23 3HG2 VAL 23 13.532 -0.396 -2.954 134 H GLY 24 H GLY 24 14.261 3.921 -3.191 135 HA2 GLY 24 2HA GLY 24 12.307 5.836 -4.303 136 HA3 GLY 24 3HA GLY 24 13.592 6.361 -3.225 137 H TYR 25 H TYR 25 12.687 6.014 -6.408 138 HA TYR 25 HA TYR 25 15.180 5.382 -7.613 139 HB2 TYR 25 2HB TYR 25 12.816 5.292 -8.645 140 HB3 TYR 25 3HB TYR 25 13.027 7.015 -8.938 141 HD1 TYR 25 HD1 TYR 25 13.461 3.810 -10.295 142 HD2 TYR 25 HD2 TYR 25 15.288 7.650 -10.158 143 HE1 TYR 25 HE1 TYR 25 14.673 3.301 -12.374 144 HE2 TYR 25 HE2 TYR 25 16.504 7.152 -12.237 145 HH TYR 25 HH TYR 25 15.765 4.436 -14.194 146 H CYS 26 H CYS 26 16.920 6.604 -7.901 147 HA CYS 26 HA CYS 26 16.639 9.521 -7.964 148 HB2 CYS 26 2HB CYS 26 18.757 8.126 -6.320 149 HB3 CYS 26 3HB CYS 26 18.447 9.857 -6.410 150 H GLY 27 H GLY 27 17.226 9.838 -10.041 151 HA2 GLY 27 2HA GLY 27 19.314 8.331 -11.308 152 HA3 GLY 27 3HA GLY 27 18.462 9.709 -11.988 153 H ASN 28 H ASN 28 19.960 11.115 -12.633 154 HA ASN 28 HA ASN 28 22.342 11.536 -10.993 155 HB2 ASN 28 2HB ASN 28 22.400 11.171 -13.537 156 HB3 ASN 28 3HB ASN 28 21.786 12.817 -13.664 157 HD21 ASN 28 1HD2 ASN 28 23.441 13.973 -14.375 158 HD22 ASN 28 2HD2 ASN 28 25.015 14.017 -13.665 159 H ASN 29 H ASN 29 20.162 12.480 -9.712 160 HA ASN 29 HA ASN 29 20.038 15.359 -10.246 161 HB2 ASN 29 2HB ASN 29 18.376 13.692 -8.344 162 HB3 ASN 29 3HB ASN 29 18.109 15.384 -8.750 163 HD21 ASN 29 1HD2 ASN 29 17.862 12.100 -9.830 164 HD22 ASN 29 2HD2 ASN 29 16.869 12.412 -11.209 165 H GLY 30 H GLY 30 20.906 13.023 -7.750 166 HA2 GLY 30 2HA GLY 30 22.987 13.972 -6.539 167 HA3 GLY 30 3HA GLY 30 21.855 15.221 -6.040 168 H VAL 31 H VAL 31 23.153 13.829 -4.119 169 HA VAL 31 HA VAL 31 21.956 11.475 -3.205 170 HB VAL 31 HB VAL 31 23.172 13.671 -1.524 171 HG11 VAL 31 1HG1 VAL 31 22.598 10.768 -0.963 172 HG12 VAL 31 2HG1 VAL 31 23.665 11.764 0.029 173 HG13 VAL 31 3HG1 VAL 31 21.957 12.178 -0.120 174 HG21 VAL 31 1HG2 VAL 31 25.143 13.124 -2.387 175 HG22 VAL 31 2HG2 VAL 31 24.908 11.450 -1.882 176 HG23 VAL 31 3HG2 VAL 31 24.355 11.978 -3.472 177 H VAL 32 H VAL 32 20.975 14.817 -2.911 178 HA VAL 32 HA VAL 32 19.137 14.617 -0.822 179 HB VAL 32 HB VAL 32 18.927 16.386 -3.262 180 HG11 VAL 32 1HG1 VAL 32 17.903 17.747 -1.100 181 HG12 VAL 32 2HG1 VAL 32 16.961 16.945 -2.358 182 HG13 VAL 32 3HG1 VAL 32 17.320 16.102 -0.850 183 HG21 VAL 32 1HG2 VAL 32 20.530 16.570 -0.752 184 HG22 VAL 32 2HG2 VAL 32 20.984 16.970 -2.409 185 HG23 VAL 32 3HG2 VAL 32 19.923 18.047 -1.501 186 H THR 33 H THR 33 18.493 14.454 -4.327 187 HA THR 33 HA THR 33 15.792 13.860 -4.211 188 HB THR 33 HB THR 33 17.498 12.537 -6.289 189 HG1 THR 33 HG1 THR 33 18.449 14.455 -6.462 190 HG21 THR 33 1HG2 THR 33 15.674 13.228 -7.760 191 HG22 THR 33 2HG2 THR 33 14.895 14.065 -6.417 192 HG23 THR 33 3HG2 THR 33 15.056 12.310 -6.389 193 H ARG 34 H RSS 34 18.553 11.629 -4.174 194 HB2 ARG 34 2HB RSS 34 19.607 9.246 -4.369 195 HB3 ARG 34 3HB RSS 34 19.722 10.000 -2.784 196 HG2 ARG 34 2HG RSS 34 18.309 7.447 -2.759 197 HG3 ARG 34 3HG RSS 34 19.984 7.332 -3.301 198 HD2 ARG 34 2HD RSS 34 19.512 9.009 -0.923 199 HD3 ARG 34 3HD RSS 34 19.227 7.282 -0.712 200 HE ARG 34 HE RSS 34 21.724 7.849 -1.992 201 HH11 ARG 34 1HH2 RSS 34 23.639 7.403 -0.836 202 HH12 ARG 34 2HH2 RSS 34 23.563 7.156 0.876 203 HH21 ARG 34 1HH1 RSS 34 20.102 7.614 1.079 204 HH22 ARG 34 2HH1 RSS 34 21.551 7.274 1.966 205 H ASN 35 H ASN 35 17.568 11.438 -1.593 206 HA ASN 35 HA ASN 35 16.472 9.583 0.333 207 HB2 ASN 35 2HB ASN 35 17.135 12.529 0.523 208 HB3 ASN 35 3HB ASN 35 16.558 11.554 1.871 209 HD21 ASN 35 1HD2 ASN 35 19.218 12.872 0.644 210 HD22 ASN 35 2HD2 ASN 35 20.413 11.743 1.175 211 H ALA 36 H ALA 36 15.401 12.529 -1.329 212 HA ALA 36 HA ALA 36 12.931 12.884 -0.153 213 HB1 ALA 36 1HB ALA 36 12.668 14.468 -1.703 214 HB2 ALA 36 2HB ALA 36 14.279 14.018 -2.263 215 HB3 ALA 36 3HB ALA 36 12.853 13.321 -3.031 216 H ASN 37 H ASN 37 13.739 10.835 -2.945 217 HA ASN 37 HA ASN 37 11.125 9.902 -3.417 218 HB2 ASN 37 2HB ASN 37 13.841 8.776 -4.092 219 HB3 ASN 37 3HB ASN 37 12.347 7.981 -4.578 220 HD21 ASN 37 1HD2 ASN 37 11.641 8.470 -6.516 221 HD22 ASN 37 2HD2 ASN 37 11.970 9.926 -7.386 222 H ALA 38 H ALA 38 13.847 8.317 -1.745 223 HA ALA 38 HA ALA 38 12.496 6.037 -0.903 224 HB1 ALA 38 1HB ALA 38 14.750 7.483 0.485 225 HB2 ALA 38 2HB ALA 38 14.244 5.823 0.801 226 HB3 ALA 38 3HB ALA 38 14.914 6.255 -0.771 227 H ASN 39 H ASN 39 12.358 9.285 0.298 228 HA ASN 39 HA ASN 39 11.317 8.686 2.877 229 HB2 ASN 39 2HB ASN 39 11.691 11.112 1.218 230 HB3 ASN 39 3HB ASN 39 10.424 11.198 2.438 231 HD21 ASN 39 1HD2 ASN 39 13.515 11.934 1.901 232 HD22 ASN 39 2HD2 ASN 39 14.150 11.831 3.504 233 H VAL 40 H VAL 40 9.907 9.162 -0.288 234 HA VAL 40 HA VAL 40 7.204 9.360 0.664 235 HB VAL 40 HB VAL 40 8.168 8.743 -2.131 236 HG11 VAL 40 1HG1 VAL 40 6.002 8.436 -2.542 237 HG12 VAL 40 2HG1 VAL 40 5.547 8.990 -0.929 238 HG13 VAL 40 3HG1 VAL 40 5.781 10.157 -2.231 239 HG21 VAL 40 1HG2 VAL 40 9.074 10.804 -1.939 240 HG22 VAL 40 2HG2 VAL 40 7.414 11.324 -2.231 241 HG23 VAL 40 3HG2 VAL 40 8.040 11.252 -0.583 242 H ALA 41 H ALA 41 9.320 6.805 -0.455 243 HA ALA 41 HA ALA 41 7.200 4.848 -0.611 244 HB1 ALA 41 1HB ALA 41 10.136 4.227 -0.611 245 HB2 ALA 41 2HB ALA 41 8.816 3.341 -1.378 246 HB3 ALA 41 3HB ALA 41 9.329 4.898 -2.029 247 H LYS 42 H KSS 42 10.051 5.354 1.466 248 HB2 LYS 42 2HB KSS 42 11.101 4.418 4.742 249 HB3 LYS 42 3HB KSS 42 11.632 4.875 3.129 250 HG2 LYS 42 2HG KSS 42 11.588 6.944 4.001 251 HG3 LYS 42 3HG KSS 42 9.870 6.846 3.609 252 HD2 LYS 42 2HD KSS 42 9.927 7.596 5.830 253 HD3 LYS 42 3HD KSS 42 9.575 5.871 5.955 254 HE2 LYS 42 2HE KSS 42 11.296 5.741 7.364 255 HE3 LYS 42 3HE KSS 42 12.342 5.997 5.968 256 HZ1 LYS 42 1HZ KSS 42 12.566 8.238 6.445 257 HZ2 LYS 42 2HZ KSS 42 12.597 7.533 7.982 258 HZ3 LYS 42 3HZ KSS 42 11.189 8.287 7.426 259 H THR 43 H THR 43 7.969 6.278 3.017 260 HA THR 43 HA THR 43 6.651 5.903 5.575 261 HB THR 43 HB THR 43 6.066 7.975 3.453 262 HG1 THR 43 HG1 THR 43 7.924 7.913 5.592 263 HG21 THR 43 1HG2 THR 43 4.370 7.452 5.320 264 HG22 THR 43 2HG2 THR 43 4.845 9.133 5.078 265 HG23 THR 43 3HG2 THR 43 5.544 8.200 6.401 266 H ALA 44 H ALA 44 5.872 5.691 2.137 267 HA ALA 44 HA ALA 44 3.110 5.028 2.630 268 HB1 ALA 44 1HB ALA 44 2.979 4.716 0.200 269 HB2 ALA 44 2HB ALA 44 3.710 6.264 0.627 270 HB3 ALA 44 3HB ALA 44 4.727 4.928 0.086 Start of MODEL 20 1 H1 TRP 1 H TRP 1 0.834 0.528 0.564 2 HA TRP 1 HA TRP 1 3.144 -0.963 -0.484 3 HB2 TRP 1 2HB TRP 1 0.617 0.006 -1.691 4 HB3 TRP 1 3HB TRP 1 2.056 0.129 -2.700 5 HD1 TRP 1 HD1 TRP 1 1.125 -2.759 -0.288 6 HE1 TRP 1 HE1 TRP 1 1.046 -4.939 -1.655 7 HE3 TRP 1 HE3 TRP 1 1.963 -0.827 -4.947 8 HZ2 TRP 1 HZ2 TRP 1 1.306 -5.734 -4.351 9 HZ3 TRP 1 HZ3 TRP 1 2.033 -2.364 -6.866 10 HH2 TRP 1 HH2 TRP 1 1.712 -4.767 -6.573 11 H GLY 2 H GLY 2 4.976 0.097 -0.877 12 HA2 GLY 2 2HA GLY 2 4.842 3.024 -1.241 13 HA3 GLY 2 3HA GLY 2 6.024 2.293 -0.165 14 H CYS 3 H CYS 3 5.345 3.269 -3.338 15 HA CYS 3 HA CYS 3 7.988 2.394 -4.192 16 HB2 CYS 3 2HB CYS 3 5.735 0.939 -4.947 17 HB3 CYS 3 3HB CYS 3 6.069 1.969 -6.335 18 H VAL 4 H VAL 4 8.970 4.128 -4.969 19 HA VAL 4 HA VAL 4 7.386 6.082 -6.504 20 HB VAL 4 HB VAL 4 7.957 6.949 -4.244 21 HG11 VAL 4 1HG1 VAL 4 10.474 5.818 -4.836 22 HG12 VAL 4 2HG1 VAL 4 10.706 7.563 -4.703 23 HG13 VAL 4 3HG1 VAL 4 9.978 6.665 -3.371 24 HG21 VAL 4 1HG2 VAL 4 8.424 9.087 -4.991 25 HG22 VAL 4 2HG2 VAL 4 9.540 8.522 -6.235 26 HG23 VAL 4 3HG2 VAL 4 7.802 8.317 -6.451 27 H CYS 5 H CYS 5 8.467 7.162 -8.192 28 HA CYS 5 HA CYS 5 11.134 6.171 -8.896 29 HB2 CYS 5 2HB CYS 5 8.836 6.265 -10.859 30 HB3 CYS 5 3HB CYS 5 10.474 5.703 -11.178 31 H SER 6 H SER 6 12.408 7.609 -10.009 32 HA SER 6 HA SER 6 11.579 10.368 -9.902 33 HB2 SER 6 2HB SER 6 13.843 9.863 -9.245 34 HB3 SER 6 3HB SER 6 14.160 9.054 -10.779 35 HG SER 6 HG SER 6 13.478 11.797 -10.543 36 H GLY 7 H GLY 7 9.811 9.984 -11.499 37 HA2 GLY 7 2HA GLY 7 10.375 11.166 -13.949 38 HA3 GLY 7 3HA GLY 7 10.401 9.430 -14.219 39 H SER 8 H SER 8 8.474 8.215 -13.847 40 HA SER 8 HA SER 8 6.015 9.794 -13.599 41 HB2 SER 8 2HB SER 8 6.804 8.029 -15.893 42 HB3 SER 8 3HB SER 8 5.103 8.196 -15.461 43 HG SER 8 HG SER 8 6.647 9.883 -16.841 44 H THR 9 H THR 9 4.068 8.176 -13.559 45 HA THR 9 HA THR 9 4.536 6.432 -11.332 46 HB THR 9 HB THR 9 2.079 5.871 -11.631 47 HG1 THR 9 HG1 THR 9 1.795 6.366 -13.801 48 HG21 THR 9 1HG2 THR 9 3.263 7.951 -10.389 49 HG22 THR 9 2HG2 THR 9 1.524 7.660 -10.357 50 HG23 THR 9 3HG2 THR 9 2.204 8.818 -11.500 51 H ALA 10 H ALA 10 3.789 6.012 -14.759 52 HA ALA 10 HA ALA 10 3.265 3.303 -14.849 53 HB1 ALA 10 1HB ALA 10 2.940 4.372 -16.863 54 HB2 ALA 10 2HB ALA 10 4.492 5.208 -16.793 55 HB3 ALA 10 3HB ALA 10 4.434 3.487 -17.172 56 H VAL 11 H VAL 11 6.383 4.949 -14.708 57 HA VAL 11 HA VAL 11 7.865 2.474 -14.926 58 HB VAL 11 HB VAL 11 8.849 4.462 -15.894 59 HG11 VAL 11 1HG1 VAL 11 9.639 6.304 -14.403 60 HG12 VAL 11 2HG1 VAL 11 7.884 6.188 -14.549 61 HG13 VAL 11 3HG1 VAL 11 8.692 5.584 -13.102 62 HG21 VAL 11 1HG2 VAL 11 10.678 4.193 -13.617 63 HG22 VAL 11 2HG2 VAL 11 10.158 2.664 -14.326 64 HG23 VAL 11 3HG2 VAL 11 10.945 3.880 -15.332 65 H ALA 12 H ALS 12 6.711 4.599 -12.417 66 HB1 ALA 12 1HB ALS 12 5.541 4.759 -10.135 67 HB2 ALA 12 2HB ALS 12 6.729 4.724 -8.831 68 HB3 ALA 12 3HB ALS 12 6.981 5.774 -10.226 69 H ASN 13 H ASN 13 5.119 2.674 -11.273 70 HA ASN 13 HA ASN 13 5.008 0.612 -9.305 71 HB2 ASN 13 2HB ASN 13 2.903 0.082 -10.181 72 HB3 ASN 13 3HB ASN 13 3.053 1.805 -10.511 73 HD21 ASN 13 1HD2 ASN 13 3.448 2.496 -12.631 74 HD22 ASN 13 2HD2 ASN 13 3.120 1.477 -13.987 75 H SER 14 H SER 14 6.230 0.846 -12.538 76 HA SER 14 HA SER 14 6.170 -1.783 -13.396 77 HB2 SER 14 2HB SER 14 6.946 0.154 -14.758 78 HB3 SER 14 3HB SER 14 8.443 0.171 -13.826 79 HG SER 14 HG SER 14 7.525 -1.706 -15.698 80 H HIS 15 H HIS 15 8.233 -0.265 -11.023 81 HA HIS 15 HA HIS 15 9.793 -2.735 -10.743 82 HB2 HIS 15 2HB HIS 15 10.396 0.073 -10.437 83 HB3 HIS 15 3HB HIS 15 10.783 -0.802 -8.958 84 HD1 HIS 15 HD1 HIS 15 12.913 -2.108 -8.945 85 HD2 HIS 15 HD2 HIS 15 11.774 -0.976 -12.776 86 HE1 HIS 15 HE1 HIS 15 14.840 -2.739 -10.433 87 H ASN 16 H NSS 16 8.328 -0.290 -8.591 88 HB2 ASN 16 2HB NSS 16 5.940 -1.985 -8.156 89 HB3 ASN 16 3HB NSS 16 6.435 -3.208 -6.989 90 HD21 ASN 16 1HD2 NSS 16 4.710 -0.214 -7.447 91 HD22 ASN 16 2HD2 NSS 16 3.809 -0.280 -5.974 92 H ALA 17 H ALA 17 7.010 -2.481 -4.731 93 HA ALA 17 HA ALA 17 9.233 -4.241 -4.464 94 HB1 ALA 17 1HB ALA 17 9.276 -1.647 -2.960 95 HB2 ALA 17 2HB ALA 17 10.072 -3.090 -2.329 96 HB3 ALA 17 3HB ALA 17 10.567 -2.418 -3.883 97 H GLY 18 H GLY 18 6.968 -2.337 -2.462 98 HA2 GLY 18 2HA GLY 18 5.096 -4.085 -1.771 99 HA3 GLY 18 3HA GLY 18 6.445 -4.692 -0.821 100 HA PRO 19 HA PRO 19 4.075 -1.242 1.401 101 HB2 PRO 19 2HB PRO 19 2.957 -2.775 3.343 102 HB3 PRO 19 3HB PRO 19 2.161 -2.449 1.799 103 HG2 PRO 19 2HG PRO 19 3.706 -4.864 2.660 104 HG3 PRO 19 3HG PRO 19 2.180 -4.774 1.762 105 HD2 PRO 19 2HD PRO 19 4.559 -5.222 0.550 106 HD3 PRO 19 3HD PRO 19 3.237 -4.337 -0.239 107 H ALA 20 H ALA 20 5.904 -4.049 2.504 108 HA ALA 20 HA ALA 20 6.902 -2.536 4.806 109 HB1 ALA 20 1HB ALA 20 6.069 -4.805 5.219 110 HB2 ALA 20 2HB ALA 20 7.287 -5.446 4.114 111 HB3 ALA 20 3HB ALA 20 7.783 -4.653 5.609 112 H TYR 21 H TYR 21 7.685 -2.097 1.941 113 HA TYR 21 HA TYR 21 10.581 -2.248 2.378 114 HB2 TYR 21 2HB TYR 21 9.196 -2.997 -0.205 115 HB3 TYR 21 3HB TYR 21 10.937 -2.886 0.025 116 HD1 TYR 21 HD1 TYR 21 7.933 -4.864 0.688 117 HD2 TYR 21 HD2 TYR 21 12.134 -4.581 1.304 118 HE1 TYR 21 HE1 TYR 21 7.981 -7.218 1.397 119 HE2 TYR 21 HE2 TYR 21 12.194 -6.935 2.014 120 HH TYR 21 HH TYR 21 10.751 -9.019 1.607 121 H CYS 22 H CYS 22 11.712 -0.488 1.705 122 HA CYS 22 HA CYS 22 10.158 1.667 0.429 123 HB2 CYS 22 2HB CYS 22 12.368 1.814 2.484 124 HB3 CYS 22 3HB CYS 22 11.781 3.216 1.595 125 H VAL 23 H VAL 23 10.794 2.186 -1.548 126 HA VAL 23 HA VAL 23 13.639 1.921 -2.244 127 HB VAL 23 HB VAL 23 11.332 1.083 -4.006 128 HG11 VAL 23 1HG1 VAL 23 12.750 1.640 -5.651 129 HG12 VAL 23 2HG1 VAL 23 14.134 1.728 -4.560 130 HG13 VAL 23 3HG1 VAL 23 13.608 0.168 -5.195 131 HG21 VAL 23 1HG2 VAL 23 13.208 -0.392 -2.250 132 HG22 VAL 23 2HG2 VAL 23 11.536 -0.753 -2.680 133 HG23 VAL 23 3HG2 VAL 23 12.835 -1.111 -3.817 134 H GLY 24 H GLY 24 14.381 3.871 -2.746 135 HA2 GLY 24 2HA GLY 24 12.539 5.777 -4.046 136 HA3 GLY 24 3HA GLY 24 13.892 6.240 -3.024 137 H TYR 25 H TYR 25 12.862 5.432 -6.198 138 HA TYR 25 HA TYR 25 15.526 5.144 -7.276 139 HB2 TYR 25 2HB TYR 25 13.272 4.104 -8.131 140 HB3 TYR 25 3HB TYR 25 13.111 5.638 -8.978 141 HD1 TYR 25 HD1 TYR 25 15.431 2.763 -8.522 142 HD2 TYR 25 HD2 TYR 25 14.180 5.966 -11.029 143 HE1 TYR 25 HE1 TYR 25 16.880 1.915 -10.319 144 HE2 TYR 25 HE2 TYR 25 15.625 5.125 -12.833 145 HH TYR 25 HH TYR 25 17.698 2.285 -12.355 146 H CYS 26 H CYS 26 16.793 6.870 -7.432 147 HA CYS 26 HA CYS 26 15.593 9.470 -8.086 148 HB2 CYS 26 2HB CYS 26 18.362 8.889 -7.016 149 HB3 CYS 26 3HB CYS 26 17.618 10.474 -7.196 150 H GLY 27 H GLY 27 18.628 7.716 -8.783 151 HA2 GLY 27 2HA GLY 27 19.229 7.183 -11.070 152 HA3 GLY 27 3HA GLY 27 18.390 8.642 -11.574 153 H ASN 28 H ASN 28 19.490 10.527 -11.699 154 HA ASN 28 HA ASN 28 22.114 10.743 -10.443 155 HB2 ASN 28 2HB ASN 28 22.367 9.770 -12.783 156 HB3 ASN 28 3HB ASN 28 21.788 11.320 -13.388 157 HD21 ASN 28 1HD2 ASN 28 24.108 10.748 -14.320 158 HD22 ASN 28 2HD2 ASN 28 25.395 11.570 -13.511 159 H ASN 29 H ASN 29 19.560 12.021 -9.990 160 HA ASN 29 HA ASN 29 19.789 14.697 -11.070 161 HB2 ASN 29 2HB ASN 29 17.886 13.617 -8.979 162 HB3 ASN 29 3HB ASN 29 17.747 15.162 -9.812 163 HD21 ASN 29 1HD2 ASN 29 15.889 12.924 -9.711 164 HD22 ASN 29 2HD2 ASN 29 15.621 12.448 -11.350 165 H GLY 30 H GLY 30 20.639 12.981 -8.171 166 HA2 GLY 30 2HA GLY 30 22.572 14.403 -7.124 167 HA3 GLY 30 3HA GLY 30 21.233 15.483 -6.762 168 H VAL 31 H VAL 31 22.755 14.526 -4.719 169 HA VAL 31 HA VAL 31 21.836 12.124 -3.558 170 HB VAL 31 HB VAL 31 22.972 14.537 -2.139 171 HG11 VAL 31 1HG1 VAL 31 22.579 11.669 -1.338 172 HG12 VAL 31 2HG1 VAL 31 23.760 12.711 -0.541 173 HG13 VAL 31 3HG1 VAL 31 22.046 13.129 -0.504 174 HG21 VAL 31 1HG2 VAL 31 24.607 13.995 -3.700 175 HG22 VAL 31 2HG2 VAL 31 25.097 13.076 -2.277 176 HG23 VAL 31 3HG2 VAL 31 24.265 12.267 -3.606 177 H VAL 32 H VAL 32 20.837 15.499 -3.143 178 HA VAL 32 HA VAL 32 19.053 15.238 -1.055 179 HB VAL 32 HB VAL 32 18.745 17.006 -3.486 180 HG11 VAL 32 1HG1 VAL 32 16.708 17.320 -2.558 181 HG12 VAL 32 2HG1 VAL 32 17.222 16.750 -0.969 182 HG13 VAL 32 3HG1 VAL 32 17.611 18.391 -1.486 183 HG21 VAL 32 1HG2 VAL 32 19.666 18.235 -1.020 184 HG22 VAL 32 2HG2 VAL 32 20.773 16.997 -1.612 185 HG23 VAL 32 3HG2 VAL 32 20.323 18.348 -2.652 186 H THR 33 H THR 33 18.274 15.033 -4.530 187 HA THR 33 HA THR 33 15.589 14.351 -4.259 188 HB THR 33 HB THR 33 16.977 13.039 -6.504 189 HG1 THR 33 HG1 THR 33 18.157 14.703 -7.033 190 HG21 THR 33 1HG2 THR 33 14.472 13.557 -6.182 191 HG22 THR 33 2HG2 THR 33 15.194 13.887 -7.757 192 HG23 THR 33 3HG2 THR 33 14.905 15.208 -6.625 193 H ARG 34 H RSS 34 18.432 12.236 -4.531 194 HB2 ARG 34 2HB RSS 34 19.549 9.904 -4.908 195 HB3 ARG 34 3HB RSS 34 19.784 10.609 -3.315 196 HG2 ARG 34 2HG RSS 34 18.466 8.020 -3.212 197 HG3 ARG 34 3HG RSS 34 20.057 7.957 -3.973 198 HD2 ARG 34 2HD RSS 34 21.027 9.089 -2.031 199 HD3 ARG 34 3HD RSS 34 19.436 9.149 -1.273 200 HE ARG 34 HE RSS 34 19.854 6.500 -1.802 201 HH11 ARG 34 1HH2 RSS 34 20.751 5.034 -0.303 202 HH12 ARG 34 2HH2 RSS 34 21.785 5.625 0.953 203 HH21 ARG 34 1HH1 RSS 34 21.557 8.971 -0.037 204 HH22 ARG 34 2HH1 RSS 34 22.243 7.865 1.106 205 H ASN 35 H ASN 35 17.623 11.954 -1.907 206 HA ASN 35 HA ASN 35 16.897 10.017 0.094 207 HB2 ASN 35 2HB ASN 35 17.218 13.021 0.196 208 HB3 ASN 35 3HB ASN 35 16.825 12.033 1.599 209 HD21 ASN 35 1HD2 ASN 35 19.243 13.639 0.351 210 HD22 ASN 35 2HD2 ASN 35 20.584 12.636 0.775 211 H ALA 36 H ALA 36 15.322 12.817 -1.424 212 HA ALA 36 HA ALA 36 12.924 12.805 -0.053 213 HB1 ALA 36 1HB ALA 36 12.454 13.338 -2.841 214 HB2 ALA 36 2HB ALA 36 12.446 14.448 -1.469 215 HB3 ALA 36 3HB ALA 36 13.956 14.094 -2.308 216 H ASN 37 H ASN 37 13.726 11.025 -3.033 217 HA ASN 37 HA ASN 37 11.299 9.788 -3.480 218 HB2 ASN 37 2HB ASN 37 14.116 8.829 -3.981 219 HB3 ASN 37 3HB ASN 37 12.701 7.932 -4.522 220 HD21 ASN 37 1HD2 ASN 37 11.721 8.514 -6.357 221 HD22 ASN 37 2HD2 ASN 37 12.146 9.893 -7.309 222 H ALA 38 H ALA 38 14.057 8.401 -1.689 223 HA ALA 38 HA ALA 38 12.748 6.105 -0.789 224 HB1 ALA 38 1HB ALA 38 15.039 7.635 0.431 225 HB2 ALA 38 2HB ALA 38 14.512 6.040 0.968 226 HB3 ALA 38 3HB ALA 38 15.135 6.258 -0.667 227 H ASN 39 H ASN 39 12.572 9.382 0.312 228 HA ASN 39 HA ASN 39 11.567 8.837 2.922 229 HB2 ASN 39 2HB ASN 39 12.636 11.009 2.081 230 HB3 ASN 39 3HB ASN 39 11.070 11.366 1.357 231 HD21 ASN 39 1HD2 ASN 39 11.537 13.232 2.910 232 HD22 ASN 39 2HD2 ASN 39 10.862 13.076 4.493 233 H VAL 40 H VAL 40 10.125 9.262 -0.240 234 HA VAL 40 HA VAL 40 7.430 9.445 0.740 235 HB VAL 40 HB VAL 40 8.440 8.885 -2.053 236 HG11 VAL 40 1HG1 VAL 40 5.743 9.075 -0.888 237 HG12 VAL 40 2HG1 VAL 40 5.998 9.989 -2.376 238 HG13 VAL 40 3HG1 VAL 40 6.297 8.251 -2.345 239 HG21 VAL 40 1HG2 VAL 40 9.203 11.033 -1.407 240 HG22 VAL 40 2HG2 VAL 40 7.770 11.296 -2.401 241 HG23 VAL 40 3HG2 VAL 40 7.663 11.430 -0.645 242 H ALA 41 H ALA 41 9.556 6.903 -0.389 243 HA ALA 41 HA ALA 41 7.452 4.927 -0.513 244 HB1 ALA 41 1HB ALA 41 10.416 4.414 -0.579 245 HB2 ALA 41 2HB ALA 41 9.120 3.398 -1.212 246 HB3 ALA 41 3HB ALA 41 9.495 4.936 -1.990 247 H LYS 42 H KSS 42 10.317 5.473 1.535 248 HB2 LYS 42 2HB KSS 42 11.983 4.718 3.396 249 HB3 LYS 42 3HB KSS 42 11.060 6.172 3.752 250 HG2 LYS 42 2HG KSS 42 10.681 4.022 5.695 251 HG3 LYS 42 3HG KSS 42 12.337 4.624 5.592 252 HD2 LYS 42 2HD KSS 42 11.654 6.841 6.091 253 HD3 LYS 42 3HD KSS 42 9.949 6.437 5.874 254 HE2 LYS 42 2HE KSS 42 10.048 4.973 7.830 255 HE3 LYS 42 3HE KSS 42 11.755 5.362 8.040 256 HZ1 LYS 42 1HZ KSS 42 9.403 7.090 8.462 257 HZ2 LYS 42 2HZ KSS 42 10.922 7.770 8.160 258 HZ3 LYS 42 3HZ KSS 42 10.694 6.776 9.510 259 H THR 43 H THR 43 8.235 6.379 3.105 260 HA THR 43 HA THR 43 6.946 6.001 5.674 261 HB THR 43 HB THR 43 6.317 8.036 3.527 262 HG1 THR 43 HG1 THR 43 8.255 7.932 5.547 263 HG21 THR 43 1HG2 THR 43 5.288 9.287 5.382 264 HG22 THR 43 2HG2 THR 43 5.623 7.936 6.466 265 HG23 THR 43 3HG2 THR 43 4.500 7.731 5.121 266 H ALA 44 H ALA 44 6.177 5.650 2.256 267 HA ALA 44 HA ALA 44 3.405 5.093 2.660 268 HB1 ALA 44 1HB ALA 44 5.147 4.466 0.279 269 HB2 ALA 44 2HB ALA 44 3.383 4.467 0.313 270 HB3 ALA 44 3HB ALA 44 4.270 5.974 0.540
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